#DEFINITION	Reference Metabolome for Osmanthus fragrans
#IDENTTFIER	RefMeta-Osmanthus fragrans.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Osmanthus fragrans
#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 Osmanthus fragrans 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	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68360	0.9
71.05011	0.4
73.02914	1.5
79.05506	1.5
81.03417	0.8
81.07069	1.5
82.52597	0.3
84.91146	0.3
85.02911	3.3
86.09742	0.3
91.03941	1.6
91.05494	1.4
93.07027	1.9
95.04993	0.5
95.08627	1.6
97.02893	3.2
99.04461	0.4
101.02406	1.2
104.10773	1.5
105.07051	1.3
107.08613	0.8
109.02897	0.5
109.10162	0.5
117.07085	0.6
119.08646	1.0
121.10188	0.4
127.03957	1.1
131.08580	0.5
133.10167	0.9
135.11745	0.6
145.05072	0.3
157.10197	0.4
159.11740	0.7
173.13326	0.4
184.07399	0.4
185.04265	0.7
201.03857	0.5
203.05270	0.3
243.08389	2.0
259.08026	0.3
301.09167	0.5
333.20432	1.0
347.09445	2.2
363.09232	1.0
365.10736	1.0
389.23361	0.4
405.13623	4.7
453.21100	0.6
463.14514	0.8
465.21216	0.4
475.14560	0.4
477.15967	0.5
535.28870	2.7
551.28467	4.1
629.29938	0.4
697.34052	3.4
713.33484	5.2
785.35754	0.7
845.49664	0.4
1007.55524	100.0
1008.56158	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	101.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	5.2
53.04159	1.1
55.01877	1.2
55.05515	15.1
56.96571	93.6
57.03442	4.3
57.07066	1.0
58.50534	7.0
58.96165	3.3
58.99781	1.2
59.05001	2.1
59.06122	2.1
59.96171	3.1
60.95856	6.8
61.02925	2.0
66.00529	1.5
67.51072	11.2
68.00261	6.4
69.01924	1.2
70.01341	6.5
70.98132	7.5
70.99880	1.0
71.04994	4.7
71.06597	1.7
71.06929	1.2
71.52182	1.3
71.95255	2.0
73.02914	1.8
73.94865	1.4
75.01036	3.8
76.51595	6.0
77.00796	6.2
78.52948	1.4
79.01863	22.1
80.52703	3.9
82.01443	3.4
82.99844	4.9
83.01507	10.6
83.04990	9.8
84.01589	1.4
84.08141	1.4
85.02882	3.2
87.53502	1.1
88.02378	9.1
88.90405	1.0
88.99152	1.2
89.00263	3.5
89.00787	5.8
89.03372	1.0
90.01559	2.7
98.01324	5.3
98.03117	1.2
98.97594	10.0
100.02480	7.7
100.97197	3.2
100.98001	2.1
101.00892	49.1
101.02557	20.3
101.06016	2.3
102.02268	2.4
105.72659	1.1
107.01860	1.1
110.97601	1.9
115.02465	1.3
116.98619	3.7
117.96011	1.9
118.98218	2.0
119.01931	100.0
119.03643	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	101.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	5.2
53.04159	1.1
55.01877	1.2
55.05515	15.1
56.96571	93.6
57.03442	4.3
57.07066	1.0
58.50534	7.0
58.96165	3.3
58.99781	1.2
59.05001	2.1
59.06122	2.1
59.96171	3.1
60.95856	6.8
61.02925	2.0
66.00529	1.5
67.51072	11.2
68.00261	6.4
69.01924	1.2
70.01341	6.5
70.98132	7.5
70.99880	1.0
71.04994	4.7
71.06597	1.7
71.06929	1.2
71.52182	1.3
71.95255	2.0
73.02914	1.8
73.94865	1.4
75.01036	3.8
76.51595	6.0
77.00796	6.2
78.52948	1.4
79.01863	22.1
80.52703	3.9
82.01443	3.4
82.99844	4.9
83.01507	10.6
83.04990	9.8
84.01589	1.4
84.08141	1.4
85.02882	3.2
87.53502	1.1
88.02378	9.1
88.90405	1.0
88.99152	1.2
89.00263	3.5
89.00787	5.8
89.03372	1.0
90.01559	2.7
98.01324	5.3
98.03117	1.2
98.97594	10.0
100.02480	7.7
100.97197	3.2
100.98001	2.1
101.00892	49.1
101.02557	20.3
101.06016	2.3
102.02268	2.4
105.72659	1.1
107.01860	1.1
110.97601	1.9
115.02465	1.3
116.98619	3.7
117.96011	1.9
118.98218	2.0
119.01931	100.0
119.03643	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	1010.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01308	0.3
71.04996	1.0
73.02886	0.2
77.03885	0.4
78.40903	0.2
78.98631	0.2
81.03383	0.3
85.02909	1.3
89.03906	1.1
91.05477	4.2
93.07048	3.6
95.04971	1.7
97.02840	0.3
98.21415	0.4
102.04691	0.2
103.05468	3.8
105.04454	0.6
107.04880	0.6
117.03365	1.0
119.04882	0.5
121.06512	12.9
126.93458	0.2
135.04425	1.8
137.05898	0.5
145.02846	1.3
156.17833	0.2
163.03911	8.0
164.07010	0.2
176.07112	0.3
178.08664	1.2
190.04947	0.3
204.06526	0.3
206.09566	0.2
221.08237	0.2
222.11154	0.3
224.06763	0.2
224.10544	0.2
234.09244	0.4
236.10693	0.2
240.10298	0.2
249.07874	0.3
250.08563	0.5
251.09323	0.7
252.10107	0.3
254.11751	0.4
264.06186	0.2
264.10165	0.5
266.11865	1.1
267.08902	0.3
267.12128	0.2
268.09674	0.5
268.13199	0.2
269.10529	0.3
278.08087	0.6
280.09732	0.4
282.07932	0.3
282.11176	0.8
283.08411	0.3
283.11902	0.4
284.09286	0.3
284.12762	0.9
288.08493	0.3
292.09811	1.0
294.07877	0.4
294.11218	2.8
295.08261	0.4
296.09174	1.5
296.12769	1.4
297.13614	0.4
298.10730	2.2
298.14301	0.9
299.11539	1.7
300.08759	0.3
300.12296	0.7
301.09473	0.4
310.10727	6.6
310.14331	0.3
311.08038	0.2
311.11429	0.6
312.12305	7.7
313.13043	0.7
314.10223	0.6
314.13562	0.4
315.11270	0.3
320.09201	0.5
322.07068	0.4
322.10779	0.6
324.08627	1.3
324.12283	3.0
325.09274	0.7
325.12866	0.3
326.13867	27.4
327.14603	2.5
328.07867	0.4
328.11801	6.5
328.15329	0.3
330.09732	0.2
330.13406	0.6
336.08676	1.4
338.10239	3.7
339.10950	0.3
340.08121	0.4
340.11920	0.5
342.09729	0.4
342.13391	2.1
344.14929	13.3
345.15366	0.2
346.12787	0.3
352.11801	7.7
353.12332	0.6
354.09625	0.9
356.11292	4.3
356.14731	0.1
358.12595	0.5
358.16516	1.5
360.14508	0.7
366.09872	0.3
370.08264	0.4
370.12860	6.2
372.14441	11.2
374.16141	0.5
376.17395	0.2
384.10602	0.7
384.14789	0.4
386.16013	3.4
388.09128	0.4
388.13907	4.7
398.07492	0.3
398.12378	4.7
402.15558	0.3
404.17056	1.1
412.14053	2.0
416.13373	2.2
418.18686	0.3
430.14844	1.0
446.19812	0.2
470.18362	0.4
488.19208	2.6
500.15289	0.3
506.20224	1.3
514.16931	1.2
518.16711	1.1
532.18262	1.7
536.19415	0.4
550.19250	3.2
634.24664	0.5
636.20782	0.5
660.22290	0.3
666.22253	0.2
668.23370	24.8
669.23541	0.6
680.20007	1.0
684.23071	0.4
694.21332	7.1
700.25653	1.0
710.25409	0.2
712.22314	13.3
713.22717	0.3
726.24261	0.5
814.29071	1.6
830.28741	0.3
840.27289	0.5
846.31409	0.7
858.27905	0.7
872.29834	0.4
978.33801	2.3
1010.36536	100.0
1011.36682	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	1010.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04952	0.8
71.56176	0.3
77.03930	0.3
79.05485	0.3
81.03394	0.2
84.08134	0.3
84.73370	0.2
85.02889	1.1
89.03906	0.9
91.05484	8.3
92.04977	0.7
93.07048	3.8
95.04968	1.8
103.05465	3.6
105.04484	0.6
108.08093	0.3
111.04456	0.2
116.04951	0.4
117.03369	0.3
117.05751	1.8
118.06539	5.7
119.04945	0.9
119.43954	0.2
120.04437	0.7
121.06508	15.9
130.06508	0.2
132.08078	0.4
134.06021	0.4
134.09657	1.5
135.04376	0.7
136.07559	0.6
137.05960	2.0
144.04440	3.1
144.08020	0.3
145.02844	0.7
146.06012	21.7
148.03923	0.5
149.04732	0.2
151.03862	0.2
160.07571	0.9
161.08354	0.3
162.05527	2.8
162.09105	1.1
163.02536	0.3
163.03908	4.3
164.07092	1.6
164.10738	0.3
165.05482	1.7
172.03911	1.1
176.07050	1.8
178.08640	31.4
179.08995	0.4
180.06485	0.3
180.10190	0.7
188.07080	5.3
190.05051	1.4
190.08636	5.1
190.09975	0.2
194.08109	0.5
196.09853	0.3
197.10439	0.2
204.06580	1.2
204.10205	0.6
206.08131	8.2
206.96233	0.2
208.09685	3.4
209.10448	0.6
210.11244	0.2
216.06567	4.3
220.09694	18.4
221.09982	0.3
222.11255	72.3
223.11937	1.9
224.09233	0.8
224.12872	0.5
234.07631	5.1
236.09087	0.3
238.10797	0.6
240.12384	0.7
248.09192	12.4
250.10689	0.2
252.08820	0.3
266.10239	69.3
267.10690	0.6
324.14417	0.9
338.15836	0.2
342.17081	0.5
386.15994	4.8
474.94366	0.2
488.19293	0.4
502.21161	0.2
680.32336	0.2
700.26105	0.6
846.32507	0.5
848.33984	0.2
1010.36542	100.0
1011.36804	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	1028.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04997	2.0
73.02886	0.1
75.04470	0.2
77.03930	0.5
79.05497	1.7
81.03416	1.4
81.07054	0.6
82.66032	0.2
83.04988	1.1
85.02906	2.5
86.80061	0.2
89.03920	5.5
91.05492	1.5
94.04196	0.5
95.04975	17.5
97.02912	1.0
99.04456	0.4
103.05487	0.2
105.03393	1.0
105.04510	0.7
107.04971	1.6
109.02886	1.5
109.06519	1.3
111.04453	0.8
115.03240	0.1
117.03387	5.6
119.04964	0.9
121.02885	0.3
121.06507	0.5
122.03645	0.4
123.04430	6.7
127.03910	0.6
127.92188	0.2
129.05486	0.6
129.07008	0.2
133.02824	1.1
135.04422	12.6
137.05994	4.4
137.07057	0.2
139.03888	0.2
145.02855	8.5
147.04410	1.6
147.06586	0.2
149.06035	0.2
151.03911	27.9
152.04262	0.4
153.05495	0.2
161.05971	0.3
163.03914	86.5
164.04227	0.9
165.05479	100.0
166.05798	0.9
167.03421	0.3
167.07121	0.2
175.03937	1.5
175.07571	0.2
177.05492	0.2
179.07014	0.4
181.04979	2.8
181.06505	0.3
183.06563	1.6
193.03252	0.3
193.04990	4.7
201.05492	0.2
203.07036	0.3
207.06554	4.5
211.06024	0.6
217.08621	0.4
225.07585	8.7
227.07076	0.4
227.23152	0.2
229.08672	0.2
233.08150	0.3
243.06543	0.3
245.08157	1.8
255.08734	0.2
257.08093	0.3
259.06006	1.0
263.09216	0.8
265.06976	0.4
267.08801	0.3
271.05875	0.2
273.07620	1.0
275.09216	0.3
277.07019	0.8
287.09128	0.5
288.08633	0.3
291.08636	2.2
295.08063	1.0
301.07053	1.0
307.08145	8.9
309.09555	1.1
311.11392	0.5
317.10068	0.3
319.08136	2.8
325.09277	1.8
333.09827	0.7
335.11060	0.2
337.09027	0.7
351.10797	1.9
355.10260	0.4
369.11932	2.5
371.13397	0.4
432.82782	0.2
443.13281	0.6
447.12909	0.2
451.15543	0.2
453.14072	0.4
457.11264	1.4
461.14581	0.8
473.14441	0.2
487.15796	0.3
491.15338	0.3
499.12021	0.8
505.17093	0.3
515.17462	0.2
517.13373	1.0
531.15021	7.2
549.16083	3.9
603.17285	0.2
635.17572	0.3
653.18408	0.7
659.19403	0.3
661.17828	0.2
667.19965	1.0
677.20660	0.4
685.21582	0.7
808.11090	0.2
838.65948	0.2
1028.36975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01347	0.7
71.04979	0.5
77.03911	0.4
79.05489	1.5
81.03408	0.8
81.07064	0.3
83.04984	15.7
85.02904	1.6
89.03909	3.6
89.04404	0.3
89.47687	0.2
91.05472	1.2
94.04157	0.4
95.04971	12.2
97.02892	3.3
99.04439	0.6
103.05442	0.3
105.03383	0.6
105.04490	0.3
107.04960	1.3
109.02863	0.2
109.06517	1.0
111.04449	6.8
117.03385	3.6
119.04953	0.5
121.06483	0.5
122.03644	0.2
123.04435	6.4
127.03953	0.3
129.05476	1.0
133.02867	1.1
135.04422	8.5
137.05986	1.9
139.03893	0.5
141.06935	0.4
145.02849	7.3
147.04395	0.8
149.06010	0.4
151.03905	28.4
152.04205	0.2
153.05481	0.5
159.08014	0.3
161.05943	0.2
163.03909	100.0
164.04297	0.7
165.05476	79.0
166.05777	0.7
167.03448	0.5
167.07025	0.6
169.04999	0.4
169.06462	0.4
173.06038	0.2
175.03908	1.0
177.05450	0.4
179.03403	0.3
179.06941	0.4
181.04980	2.0
183.06563	1.7
185.06038	0.3
187.07503	0.3
189.05464	0.4
193.04955	4.1
197.05983	0.5
199.07571	0.2
199.50809	0.2
201.05582	0.2
203.07056	0.3
207.06537	3.3
211.05995	0.7
215.07021	0.5
219.06558	0.4
221.08243	0.3
222.86407	0.2
223.05882	0.3
225.05600	0.7
225.07576	10.7
226.07869	0.2
229.08694	0.4
233.08127	0.7
237.07573	0.3
239.07045	0.3
243.06512	1.7
243.08707	0.3
245.08104	0.4
247.09683	0.5
255.08813	0.3
257.08081	2.4
259.09604	0.2
261.07599	3.3
263.09219	0.3
265.06992	0.2
265.10666	0.3
267.06448	0.3
269.10327	0.2
271.09708	0.2
273.07492	0.4
275.09161	7.7
279.08621	1.4
285.07523	0.7
291.08569	0.5
291.12250	0.7
299.09171	0.6
303.08649	0.8
307.08176	0.8
317.10205	4.9
321.09836	1.2
325.09180	24.6
326.09543	0.4
335.11301	4.2
339.10812	1.3
353.12354	3.8
371.13348	2.9
373.52716	0.2
435.12793	1.2
461.14438	0.4
515.15411	0.4
533.16907	0.2
584.71252	0.2
677.21002	0.2
1045.27209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04997	2.0
73.02886	0.1
75.04470	0.2
77.03930	0.5
79.05497	1.7
81.03416	1.4
81.07054	0.6
82.66032	0.2
83.04988	1.1
85.02906	2.5
86.80061	0.2
89.03920	5.5
91.05492	1.5
94.04196	0.5
95.04975	17.5
97.02912	1.0
99.04456	0.4
103.05487	0.2
105.03393	1.0
105.04510	0.7
107.04971	1.6
109.02886	1.5
109.06519	1.3
111.04453	0.8
115.03240	0.1
117.03387	5.6
119.04964	0.9
121.02885	0.3
121.06507	0.5
122.03645	0.4
123.04430	6.7
127.03910	0.6
127.92188	0.2
129.05486	0.6
129.07008	0.2
133.02824	1.1
135.04422	12.6
137.05994	4.4
137.07057	0.2
139.03888	0.2
145.02855	8.5
147.04410	1.6
147.06586	0.2
149.06035	0.2
151.03911	27.9
152.04262	0.4
153.05495	0.2
161.05971	0.3
163.03914	86.5
164.04227	0.9
165.05479	100.0
166.05798	0.9
167.03421	0.3
167.07121	0.2
175.03937	1.5
175.07571	0.2
177.05492	0.2
179.07014	0.4
181.04979	2.8
181.06505	0.3
183.06563	1.6
193.03252	0.3
193.04990	4.7
201.05492	0.2
203.07036	0.3
207.06554	4.5
211.06024	0.6
217.08621	0.4
225.07585	8.7
227.07076	0.4
227.23152	0.2
229.08672	0.2
233.08150	0.3
243.06543	0.3
245.08157	1.8
255.08734	0.2
257.08093	0.3
259.06006	1.0
263.09216	0.8
265.06976	0.4
267.08801	0.3
271.05875	0.2
273.07620	1.0
275.09216	0.3
277.07019	0.8
287.09128	0.5
288.08633	0.3
291.08636	2.2
295.08063	1.0
301.07053	1.0
307.08145	8.9
309.09555	1.1
311.11392	0.5
317.10068	0.3
319.08136	2.8
325.09277	1.8
333.09827	0.7
335.11060	0.2
337.09027	0.7
351.10797	1.9
355.10260	0.4
369.11932	2.5
371.13397	0.4
432.82782	0.2
443.13281	0.6
447.12909	0.2
451.15543	0.2
453.14072	0.4
457.11264	1.4
461.14581	0.8
473.14441	0.2
487.15796	0.3
491.15338	0.3
499.12021	0.8
505.17093	0.3
515.17462	0.2
517.13373	1.0
531.15021	7.2
549.16083	3.9
603.17285	0.2
635.17572	0.3
653.18408	0.7
659.19403	0.3
661.17828	0.2
667.19965	1.0
677.20660	0.4
685.21582	0.7
808.11090	0.2
838.65948	0.2
1028.36975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.1
56.96571	9.0
58.50542	0.8
67.51066	1.4
70.01318	1.3
70.70728	1.9
77.03924	3.4
79.01851	1.6
79.52034	2.2
81.03420	1.1
88.52531	0.9
95.04979	13.6
95.80249	0.7
102.04688	3.1
103.05472	100.0
105.04520	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.8
53.03706	1.0
53.03949	17.9
56.96562	3.5
67.51073	0.7
69.79004	3.9
74.13571	0.6
77.03935	5.7
79.01838	0.8
81.03418	2.0
84.20435	0.6
87.00492	0.8
95.04974	17.7
102.04692	4.3
103.05476	100.0
104.05763	1.0
105.04514	10.1
112.43551	0.7
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
50.01604	0.8
51.02384	1.6
53.03951	13.6
55.01876	0.6
56.96568	7.4
67.51071	0.9
68.01240	0.8
70.01342	0.5
70.25304	0.5
70.74982	1.4
70.75319	0.6
77.03934	3.8
79.01865	1.2
79.52032	1.3
81.03423	1.3
88.52576	0.7
89.98611	0.6
95.04361	0.8
95.04975	15.9
96.45325	0.5
102.04699	1.8
103.05477	100.0
104.05772	0.6
105.04521	6.6
123.16954	0.6
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
51.02384	1.5
53.03716	0.7
53.03952	14.9
56.96571	35.4
57.03442	0.7
58.06600	1.7
58.50555	3.1
58.96165	2.6
59.00709	1.1
59.50336	0.9
65.56326	0.7
67.51074	7.8
68.01232	3.2
69.51302	2.0
69.51720	2.3
70.01337	2.7
70.51498	1.3
71.01360	55.1
76.51586	3.3
77.01770	0.7
77.03922	1.8
79.01859	8.6
79.51637	1.0
79.52074	4.9
81.03426	0.9
85.02914	2.0
86.03232	1.3
88.02405	3.4
88.52568	1.9
95.04972	14.9
102.04699	2.5
103.04038	5.3
103.05475	100.0
104.05800	1.0
104.10750	2.2
105.04527	5.9
105.80070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	3.5
59.07380	1.1
60.08167	33.9
60.95864	0.3
69.73445	0.4
69.73853	1.2
81.65089	0.2
83.28781	0.2
84.85068	0.2
87.04484	0.7
89.22139	0.2
98.21504	0.3
104.10748	100.0
104.29628	0.2
105.11091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
58.01313	0.2
58.06603	2.8
59.07382	1.0
60.08166	34.5
61.93328	0.2
69.03439	0.5
70.57252	0.7
74.20770	0.2
86.06076	0.5
87.04467	1.5
104.10747	100.0
105.11057	0.4
106.29541	0.2
109.74747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04520	3.6
73.02892	0.3
73.49499	0.2
77.03935	0.9
79.05486	0.6
81.03418	1.2
83.04982	0.3
85.02413	0.3
85.02907	4.8
87.04465	0.3
89.03919	4.2
91.05482	8.8
93.07050	9.9
95.04977	2.9
96.04496	1.8
97.02898	4.9
99.04483	0.3
101.02357	0.3
102.04681	0.3
103.05476	8.8
105.04519	1.3
107.04964	1.0
109.02930	0.3
111.04461	0.3
112.03886	1.0
114.05538	8.1
117.03382	4.0
120.08099	0.3
121.06511	100.0
122.06828	0.8
126.05521	0.2
127.03885	0.4
129.05504	0.6
129.06998	0.3
131.04918	0.3
131.08562	0.2
132.06546	0.4
135.04428	7.9
135.08095	0.2
136.31607	0.2
140.03360	0.3
143.04921	0.2
144.06570	0.6
145.02849	6.3
145.05193	0.2
145.06422	0.3
146.08128	7.8
147.04414	0.3
158.04530	1.1
158.05637	0.2
161.05994	0.3
163.03911	51.3
164.04237	0.7
164.07111	0.6
165.05634	0.2
166.05026	0.4
171.08151	0.3
173.05983	2.0
177.05540	0.2
180.06525	0.2
181.04968	1.9
183.08125	0.4
184.06036	0.4
185.05974	0.3
186.05618	0.2
187.07509	1.0
190.06223	0.4
194.08159	0.5
197.06065	0.8
199.07558	1.7
201.05460	0.4
202.06281	0.8
203.07083	0.9
208.09671	1.7
209.06082	0.4
211.07675	0.6
212.07097	0.2
213.09254	0.3
214.06392	0.3
215.07100	0.6
216.07875	0.4
217.08623	0.8
219.06602	0.2
223.07542	0.4
224.07074	0.4
225.05458	0.7
226.06430	1.1
226.08362	0.3
227.03412	0.5
227.07019	0.8
228.06570	0.4
229.08725	0.4
232.07201	0.2
233.08093	1.0
235.09703	0.3
236.07117	0.5
236.09166	0.3
239.07129	0.3
240.06505	0.4
240.08633	0.4
241.05009	0.2
241.08759	0.3
242.05984	0.3
242.07971	1.0
243.06555	1.0
243.08788	0.2
245.08148	0.7
250.08600	0.4
254.04625	0.4
254.07982	1.2
255.05550	0.8
256.05984	0.4
256.09796	0.8
257.08038	0.4
260.11331	0.4
261.07608	4.3
262.08466	1.1
263.09174	0.6
265.07272	0.3
266.08105	0.2
268.06158	0.6
268.09818	0.5
269.07077	1.1
269.10495	0.2
270.04971	0.2
270.07727	1.0
270.11340	0.4
271.06015	0.4
271.09171	0.4
272.05838	0.6
272.09299	1.1
278.10349	0.4
282.07669	1.0
282.11011	0.4
283.08392	0.3
284.09216	0.8
284.12506	0.2
285.06732	0.2
285.10172	0.3
286.07269	1.3
286.10812	0.7
287.09024	0.5
287.11786	0.4
288.08719	0.6
288.12405	0.6
292.14035	0.4
296.09256	1.2
298.07196	2.1
298.10828	0.7
299.07922	10.7
300.08725	3.9
300.12253	0.5
301.09625	0.2
302.10321	0.9
305.10129	1.3
307.08279	1.0
310.11069	0.3
312.08777	1.3
312.12177	0.5
313.09454	4.3
314.06848	0.2
314.10254	6.2
314.13647	0.4
315.07507	0.8
315.11050	0.5
316.08252	6.9
316.11801	1.2
317.08771	0.4
318.13538	0.3
325.09207	6.9
326.10226	2.6
327.11050	0.5
328.08200	0.3
328.11789	1.5
329.09183	0.8
330.09741	10.2
330.13284	0.8
331.10483	4.3
332.11349	1.4
332.14780	0.3
333.11942	1.3
335.13016	0.2
338.10345	0.5
340.11920	0.7
342.13458	0.5
343.10687	0.3
344.11298	15.4
345.12082	11.9
345.16388	0.4
346.12888	1.5
354.13440	0.2
356.11380	0.7
357.11765	0.3
358.09308	0.2
358.12872	6.5
359.13571	0.5
360.14456	0.6
368.11548	0.5
370.12973	0.3
372.14584	0.8
374.12125	0.3
374.16306	0.4
375.12994	0.3
376.13928	12.9
377.14270	0.4
381.13367	4.5
381.17908	0.3
382.13641	0.6
386.12537	0.6
390.15485	19.0
391.15891	0.4
400.14056	1.6
418.14972	10.6
419.13666	2.3
420.14236	1.2
425.15976	14.5
427.17441	0.8
432.15585	0.3
434.16489	0.2
436.13818	2.5
438.14090	1.2
446.16272	0.3
450.16559	0.8
451.16278	5.2
452.17203	0.6
464.17108	3.2
465.18100	0.9
471.15256	0.3
478.18646	0.6
493.17612	0.2
494.18427	0.4
496.19727	14.3
497.20111	0.5
506.18277	0.3
520.18823	0.4
536.21216	0.5
538.20740	16.6
539.21637	0.4
544.19104	0.3
552.22186	0.3
564.20947	0.3
570.23431	4.0
641.71069	0.2
642.25128	1.3
658.24438	0.3
668.19922	0.5
682.21094	0.8
684.26520	0.4
696.23889	0.3
700.23016	1.5
714.23981	5.7
724.22339	7.1
725.23505	0.3
742.23395	1.4
756.25708	0.4
820.28113	31.4
821.28302	1.0
828.27209	0.2
860.29596	0.7
862.29163	25.3
863.29449	1.0
870.28223	0.3
894.31952	3.4
966.33936	4.3
990.34485	0.3
1008.34875	7.0
1009.35559	0.3
1040.38025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.377
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04526	3.3
72.61720	0.2
77.03914	0.7
79.05482	0.6
81.03427	1.0
84.04510	0.2
84.08146	0.2
85.02424	0.2
85.02912	3.5
86.09698	0.2
89.03922	3.0
91.05488	7.6
93.07052	10.4
95.04969	2.6
96.04494	2.0
97.02898	4.2
98.21499	0.3
99.04449	0.4
101.02331	0.2
103.05478	8.8
105.04526	1.1
105.07076	0.3
107.04965	0.9
108.04605	0.1
108.37522	0.2
109.02905	0.4
111.04448	0.3
112.04008	0.8
114.05540	9.7
117.03397	3.0
118.06654	0.2
119.04961	0.3
120.05728	0.4
121.06516	100.0
122.06827	0.9
123.04405	0.2
126.05567	0.2
127.03915	0.5
128.06206	0.2
129.05507	0.5
129.07025	0.3
130.04951	0.2
132.06592	0.2
135.03401	0.3
135.04425	5.4
140.03400	0.3
143.04897	0.2
144.06573	0.6
145.02864	5.5
145.06453	0.2
146.08131	8.1
150.05527	0.2
156.06665	0.2
157.06461	0.2
158.04507	1.6
158.05829	0.3
159.04497	0.2
159.08029	0.2
163.03915	39.4
164.04282	0.4
164.07086	0.3
165.05466	0.3
166.05049	0.6
167.07097	0.2
171.04533	0.2
171.08084	0.1
173.06001	1.8
177.05530	0.4
180.10262	0.2
181.05002	1.3
182.40315	0.1
183.08049	0.2
184.06105	0.5
185.05968	0.3
187.07510	0.9
190.06317	0.2
192.07915	0.1
192.10262	0.2
194.08205	0.3
196.07730	0.2
196.09705	0.2
197.06064	0.6
199.07538	1.3
201.05566	0.6
202.06331	0.3
203.07048	0.8
208.09634	1.0
209.06067	0.2
211.07666	0.7
213.05571	0.2
213.09192	0.3
214.06252	0.2
215.07034	0.9
216.07800	0.7
217.08679	0.8
217.10445	0.1
219.06599	0.3
221.08275	0.2
222.07504	0.2
223.07611	0.3
225.05484	0.7
225.09279	0.1
226.06488	0.8
227.03477	0.2
227.07146	0.9
228.06357	0.2
229.08710	0.4
233.08141	1.2
236.07245	0.3
238.08653	0.2
239.07161	0.4
240.06425	0.3
240.08588	0.5
241.05057	0.1
241.08603	0.5
242.05865	0.3
242.08203	0.8
242.10216	0.2
243.06636	1.1
244.07451	0.3
245.08112	1.2
251.07208	0.3
253.08797	0.3
254.08325	0.5
255.06384	0.4
255.08995	0.3
256.06067	0.3
256.09802	0.5
257.08167	0.3
259.09790	0.2
260.11417	0.3
261.07590	5.9
262.08414	1.6
263.09119	0.7
265.07053	0.2
266.08142	0.2
268.06165	0.3
268.09766	0.5
269.07288	0.6
270.07791	0.6
270.11295	0.4
271.06070	0.2
271.09509	0.5
272.06628	0.5
272.09332	0.4
278.10498	0.3
282.07712	0.7
282.11212	0.2
283.08545	0.3
284.09253	0.4
284.12610	0.2
285.06769	0.3
286.07214	0.8
286.10873	0.5
287.09018	0.9
288.08707	0.5
288.12442	0.6
289.13159	0.3
292.14056	0.2
294.07614	0.2
294.11264	0.1
296.09213	0.8
298.07266	1.1
298.10788	0.6
299.07901	6.9
300.08707	2.4
300.11963	0.3
301.09979	0.3
302.10449	0.4
305.10165	1.4
307.08252	0.6
310.10959	0.4
312.08777	1.1
312.12344	0.5
313.09467	2.4
314.10254	3.6
314.13779	0.4
315.07611	0.4
315.10916	0.4
316.08267	4.5
316.11853	0.9
316.15155	0.2
317.08746	0.2
324.12408	0.3
325.09204	5.1
326.10223	2.0
327.10980	0.2
328.08182	0.3
328.11765	1.3
329.09198	0.6
329.12595	0.4
330.09750	5.7
330.13333	0.7
331.10504	3.3
331.13895	0.2
332.11368	1.3
332.14987	0.3
333.12091	1.6
335.13000	0.5
336.14423	0.2
338.10446	0.4
340.11853	1.0
342.13553	0.4
343.10638	0.2
344.11313	9.3
345.12073	4.2
346.12842	1.4
347.13641	0.2
354.13419	0.2
356.11371	0.8
356.15173	0.2
357.12402	0.2
358.09201	0.2
358.12891	5.6
359.13654	0.5
360.14709	0.3
363.12244	0.3
368.11499	0.6
372.14645	0.6
373.11609	0.2
374.12366	0.4
374.16348	0.4
375.13116	0.3
376.13934	13.1
377.14322	0.3
381.13345	7.4
382.13708	0.8
386.12152	0.9
388.13919	0.2
389.14572	0.2
390.15509	4.5
392.12637	0.2
400.13925	1.7
407.15051	0.2
418.14990	12.8
419.13882	1.0
420.14377	0.5
425.15997	14.5
426.16220	0.3
427.17563	0.8
434.16196	0.2
436.13745	0.8
438.14178	0.8
450.16159	0.2
451.16318	2.3
452.16971	0.2
453.17886	0.3
464.17142	1.6
465.18085	0.6
467.16724	0.2
476.16638	0.3
488.15717	0.2
496.19730	11.8
497.20074	0.3
502.18073	0.2
504.19589	0.2
506.18567	0.2
510.21048	0.2
520.18744	0.4
522.19690	0.4
533.56598	0.2
538.20734	12.9
539.21252	0.3
562.18884	0.4
564.20679	0.3
570.23370	2.2
580.20972	0.5
642.25476	1.1
664.24103	0.4
668.20197	0.3
670.22333	0.2
671.21820	0.4
672.22235	0.4
682.21344	0.9
684.26672	0.6
698.24213	0.9
700.24030	2.5
713.22894	0.2
714.23871	2.7
724.22388	1.5
742.23511	4.5
756.24982	0.3
818.29871	0.2
820.28046	4.5
821.29120	0.2
828.26721	0.2
844.29358	0.2
846.31708	0.2
859.28986	0.3
860.29364	1.1
862.29193	42.5
863.29547	1.7
894.31561	2.1
966.33496	0.8
1008.35120	5.2
1040.38330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03940	0.2
78.76939	0.1
79.05489	0.2
81.03407	0.1
83.04964	0.0
84.59667	0.0
85.02907	0.2
89.03915	0.2
91.05476	0.9
92.05006	0.2
93.03393	0.1
93.07036	0.9
94.06586	0.1
95.04962	0.4
96.04481	0.1
99.95827	0.0
103.05467	0.8
104.04996	0.4
104.54960	0.0
105.04495	0.2
105.05795	0.1
106.00430	0.0
106.06560	0.1
107.04943	0.1
109.06493	0.1
110.03643	0.1
110.06045	0.1
111.04424	0.2
117.02197	0.0
117.03386	0.2
117.05778	0.1
118.06551	0.3
120.04494	0.1
120.05672	0.1
120.08125	0.7
121.06510	6.2
122.06042	0.8
122.06858	0.1
123.04475	0.3
125.05991	1.7
126.12159	0.0
132.04459	1.0
132.70724	0.0
134.06007	0.3
135.04439	0.6
137.05048	0.1
137.05954	0.4
139.03841	0.1
144.04535	0.2
145.02837	0.6
146.06017	0.7
148.03935	0.1
149.08409	0.2
150.04286	0.1
150.05505	2.1
151.03908	0.6
151.06218	0.1
152.04674	0.1
153.05469	2.4
162.05608	0.1
163.03914	5.1
164.07068	29.5
165.05467	0.5
165.07455	0.2
166.08585	0.1
167.07068	0.5
172.03903	0.1
176.06998	0.3
178.08636	1.0
181.04951	0.1
181.07336	0.1
183.06534	2.9
188.07083	0.4
190.08644	0.4
194.08133	8.9
195.08847	0.3
204.06578	0.1
206.08121	0.5
208.09692	100.0
209.10109	1.2
210.11334	0.1
213.06281	0.1
216.06506	0.4
220.09683	2.1
222.11275	2.6
223.11902	0.1
229.17436	0.1
232.05540	0.1
234.07623	0.7
236.09175	0.1
248.09172	1.7
250.10774	0.1
266.10242	1.9
268.11829	0.3
314.13858	12.4
315.14160	0.2
325.09183	1.0
328.11874	0.1
328.15433	0.1
344.11249	0.1
346.16495	0.2
354.15625	0.4
356.14951	0.7
358.12704	0.1
372.14307	0.1
376.13889	0.1
386.15985	12.8
387.16406	0.3
388.17557	8.4
389.17731	0.2
390.15506	0.8
397.24670	0.1
418.14853	0.1
496.19757	0.1
507.14841	0.1
534.23584	0.1
536.20966	0.1
596.29688	0.1
714.23895	0.4
828.26941	0.3
860.13782	0.1
860.29645	1.1
966.32861	0.2
1008.34576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02905	0.6
77.03923	0.5
79.05499	2.8
80.05016	0.5
81.03419	1.9
81.07052	1.8
83.04996	1.3
85.02905	13.6
87.04449	0.6
89.03917	7.6
91.05481	4.7
92.04990	0.5
93.05800	0.5
93.07044	3.8
94.06565	1.1
95.04973	1.9
97.02274	0.5
97.02890	8.8
97.06540	0.5
99.04441	0.8
103.05445	0.8
105.04526	0.3
105.07023	4.8
106.06534	0.5
107.04958	2.8
107.07301	0.6
107.08562	0.5
109.02879	0.8
109.05282	1.5
109.06502	1.3
110.06049	1.5
111.04442	1.4
115.05452	0.8
117.03383	6.4
117.05746	0.4
117.07005	1.0
118.06496	0.7
118.07875	0.3
119.04927	2.1
119.08571	1.8
120.08100	0.4
121.05246	0.7
121.06503	3.6
122.06020	0.7
123.06831	0.3
123.08077	0.4
124.07593	14.2
125.05996	0.4
127.03915	1.0
128.06212	1.3
129.05499	1.8
129.07016	1.9
130.06546	0.6
130.07784	0.4
131.04961	0.3
131.08575	2.4
132.08070	0.4
133.02808	0.4
133.05220	0.8
133.06476	0.7
133.10141	0.9
134.06010	0.5
135.04419	13.5
135.06688	0.5
136.07553	3.0
137.05997	2.3
138.05508	1.1
138.09178	0.5
139.07555	0.3
141.06961	1.3
142.07782	2.4
143.08575	3.1
144.08070	0.5
144.09271	0.3
145.02846	10.4
145.03845	0.4
145.06528	0.6
145.10123	3.1
146.05997	0.9
147.06699	0.6
148.07567	0.9
149.04770	0.4
149.05966	0.9
149.08421	0.4
150.05508	0.9
150.09093	0.5
151.06273	3.6
151.07545	2.1
152.07068	17.6
154.07649	0.7
154.08641	0.9
155.08600	0.5
156.09317	1.0
157.08916	0.5
157.10124	3.2
158.06056	0.6
158.07222	0.4
159.06876	0.5
159.08075	1.4
159.11681	1.8
160.07555	0.6
161.04700	0.3
161.09641	0.7
162.05484	2.0
162.09113	0.4
163.03903	100.0
164.04243	0.8
164.07074	6.1
165.05489	0.9
165.07855	1.0
166.07375	0.5
166.08670	7.8
168.06618	0.5
169.10081	2.1
170.09769	0.3
171.07986	0.5
171.11661	1.5
172.07558	0.3
173.09608	0.8
174.05524	1.1
174.09152	0.7
175.06241	1.9
175.07555	0.4
176.07072	4.9
177.05479	1.4
177.07840	0.7
178.08632	2.4
179.08508	0.4
180.10309	0.3
181.04950	2.1
181.08694	0.4
182.08141	22.7
183.08931	5.4
184.07487	0.4
184.09738	3.5
184.11284	0.5
185.08202	0.3
185.09634	0.8
186.05528	0.7
186.09134	0.6
187.11203	0.8
188.07056	3.9
188.08562	0.4
189.07790	1.2
190.08643	6.7
192.06541	0.8
192.10223	1.1
194.08138	7.6
195.06502	0.9
196.09680	3.4
197.09671	1.6
198.09117	0.5
199.09622	0.4
199.11220	0.9
200.07060	0.4
200.10706	0.8
201.07779	0.3
202.08606	2.8
203.10806	0.5
204.06670	0.3
204.10202	0.7
205.07277	0.4
206.08105	5.7
206.09828	0.4
207.08865	2.0
208.09639	4.1
208.11340	0.4
210.09215	0.5
211.09796	0.3
212.07040	0.6
212.10686	0.8
214.08743	0.8
214.12221	1.7
215.10757	0.8
216.06618	0.3
216.10152	2.3
217.12311	0.5
218.08171	0.6
218.11841	1.0
219.08690	1.3
220.09686	7.2
221.10382	0.3
222.07483	0.4
222.11217	0.3
224.08945	1.6
224.10989	0.6
226.08620	0.8
226.10750	3.0
227.09308	1.3
228.10222	2.6
229.10936	0.7
230.11752	4.9
232.09703	0.7
232.13289	0.3
234.07578	0.4
234.11240	5.6
236.09158	0.8
237.09911	3.6
238.10686	2.8
239.09386	0.3
240.10143	1.6
241.10889	0.4
242.11740	6.1
243.12520	1.5
244.09669	0.7
244.13350	1.9
246.11269	0.8
247.12093	0.4
248.09192	0.5
248.12828	2.6
249.13568	1.0
250.14444	0.7
252.10352	0.4
253.11180	0.3
254.11821	1.3
255.08899	0.3
256.09714	0.4
256.13309	1.4
258.11224	1.3
259.11865	0.3
260.12808	5.3
261.13538	1.2
262.10703	0.3
262.14349	0.6
265.07092	0.4
266.11835	0.4
268.13397	0.7
270.11218	1.4
272.12909	1.8
273.13538	1.8
274.10831	0.4
274.14288	1.4
276.12363	0.4
278.13940	1.7
280.13174	0.5
281.10208	0.4
282.15057	0.4
284.12851	0.6
285.13541	0.3
286.14523	0.7
288.12039	0.4
290.13995	1.7
294.15002	0.3
296.09286	0.5
296.12704	0.3
298.14240	0.3
306.13245	1.2
307.08154	1.4
308.11279	0.5
309.09540	0.6
311.11127	0.5
320.16693	0.5
325.09180	18.4
326.17276	0.3
327.10782	0.7
328.14557	0.5
334.14548	0.3
334.18219	0.5
338.17462	0.5
340.18964	0.5
344.13193	0.6
350.17545	0.4
352.19070	1.0
354.20667	0.3
358.16559	0.4
362.17569	0.4
368.18567	1.1
370.20114	1.8
380.11398	0.5
380.18683	2.6
383.17172	0.5
384.18018	0.4
385.18784	0.7
386.19693	1.8
392.18600	0.3
398.19629	22.7
399.20041	0.6
404.18265	0.3
416.20682	79.9
417.20999	1.3
422.19904	1.5
426.19156	0.7
428.20621	0.6
440.20636	1.6
458.21667	2.1
464.20557	0.6
471.14511	0.5
482.21628	0.7
489.13474	0.5
506.16171	1.3
508.23062	0.8
524.22595	1.0
526.24323	4.4
532.25433	0.6
542.23883	4.6
544.25537	2.6
560.24921	2.1
562.26398	10.5
578.25909	7.4
632.73175	0.3
686.26129	0.5
688.29211	0.9
704.27478	0.7
706.30298	0.6
710.28033	0.6
722.28259	3.3
724.32086	1.9
740.29126	18.6
741.28693	0.6
850.32288	0.8
868.32068	1.0
884.33258	0.6
886.34918	6.9
887.34644	0.3
902.34113	3.1
1048.40198	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02384	0.7
53.00253	0.6
53.03741	0.8
53.03950	9.5
77.03922	3.0
79.05498	36.6
81.03427	1.2
93.62032	0.6
95.04972	6.6
98.20780	1.5
103.05479	23.8
105.04548	3.1
105.07037	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.03955	10.0
54.29855	0.8
69.44867	7.2
77.03925	2.5
79.05498	35.0
95.04981	7.6
96.19267	0.9
98.51510	0.9
103.05479	22.1
105.04565	4.7
105.07039	100.0
105.11094	1.0
122.46657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1052.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02907	0.1
77.03927	0.6
79.05466	0.2
81.03436	0.3
83.04961	0.2
85.02912	1.6
87.04469	26.1
89.03910	1.3
91.05483	9.9
92.05006	0.8
93.03405	0.2
93.07046	6.4
95.04964	2.3
97.02878	0.2
102.04691	0.2
103.05470	6.0
105.04526	1.1
107.04952	0.5
109.06516	0.2
111.04371	0.2
116.04997	0.5
116.56673	0.1
117.03393	0.9
117.04374	0.3
117.05753	2.5
118.06548	5.1
119.04940	1.0
120.04473	0.3
120.08117	0.3
121.06509	32.7
122.06861	0.3
124.07592	0.2
132.08095	0.8
134.06035	0.5
134.09657	1.2
135.04449	1.2
136.07599	0.5
137.05981	2.3
144.03560	0.1
144.04449	5.6
145.02843	1.0
146.06013	16.7
147.04465	0.2
148.03931	0.1
160.07562	0.2
162.04132	0.1
162.04462	0.1
162.05510	4.6
163.03911	6.7
164.04149	0.2
164.07065	1.5
164.08395	0.2
164.72995	0.1
165.05527	0.3
165.07910	0.2
166.08646	0.2
172.03941	2.4
176.05486	0.3
176.07074	8.3
178.08635	44.8
179.09106	0.5
180.10275	0.1
190.05000	3.9
193.10951	0.2
194.08197	0.3
204.06557	6.2
206.08141	0.2
222.07623	8.7
222.11198	0.3
239.11557	0.6
248.09145	1.2
250.10770	1.2
251.11581	0.3
258.07745	0.2
262.10742	5.1
264.12323	13.4
265.13086	1.1
266.13892	0.3
276.08682	2.0
280.11761	0.2
290.10229	7.6
291.10461	0.2
294.09625	0.2
298.14453	0.2
308.11282	52.9
309.11783	0.8
310.12747	0.2
325.09134	0.2
356.15250	0.1
428.17017	3.8
429.17542	0.2
446.18286	0.2
530.20575	0.2
580.23724	0.2
735.94873	0.1
742.27405	0.7
906.31818	8.4
907.31750	0.3
1052.37610	100.0
1053.37695	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02376	0.7
53.03951	6.4
53.43926	0.2
54.13118	0.1
55.01875	1.2
56.83936	0.1
56.96553	0.4
62.99080	0.4
65.03934	0.4
67.05490	0.2
68.28368	0.2
69.62738	0.3
69.63137	0.8
75.01074	0.3
77.03928	1.6
77.72194	0.2
79.05498	10.6
81.03418	0.9
83.52368	0.2
84.01561	0.5
91.05486	3.4
91.62727	0.2
93.02099	0.2
95.04355	0.4
95.04974	6.6
98.53321	0.2
105.04525	3.0
105.07027	1.0
106.06536	0.2
107.04962	100.0
107.08600	1.5
108.05286	0.7
109.06529	0.2
119.06068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02373	0.9
53.03951	8.3
54.75630	0.2
55.01876	1.3
56.96567	0.3
62.99066	0.3
65.03955	1.0
67.05494	0.3
69.44122	0.9
69.44554	0.6
77.03931	2.1
79.05499	21.1
80.04997	0.2
80.05814	0.2
81.03424	1.0
84.01569	0.4
91.05486	8.9
92.06255	0.3
94.08013	0.2
95.04976	8.5
98.20991	0.7
98.80287	0.2
105.04530	3.7
105.07040	2.8
107.04961	100.0
107.08591	4.4
108.05299	0.9
109.06529	1.0
110.32209	0.2
117.02850	0.2
119.06059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03946	3.0
55.01875	0.8
58.12998	0.7
65.03944	11.0
67.05510	3.0
71.16098	0.7
71.16438	0.9
77.03917	1.1
79.05500	24.9
91.05489	100.0
92.06274	3.2
95.04966	4.2
101.11633	0.8
103.92130	0.7
105.04539	1.0
105.07039	33.4
106.04197	1.2
107.04967	26.7
107.08604	54.4
109.06533	13.1
119.06087	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03939	6.1
54.80476	2.2
56.99553	2.3
65.03948	14.2
67.05499	8.4
69.46863	8.1
69.47290	8.5
73.12794	1.9
73.74489	2.0
79.05501	81.9
91.05488	100.0
92.06277	4.2
95.04974	5.7
102.34323	2.3
105.04552	2.2
105.07040	29.4
106.06577	3.0
107.04968	28.4
107.08607	42.9
108.08123	4.1
109.06511	11.3
119.06079	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65785	0.8
51.02388	1.0
53.03948	7.3
55.01875	1.2
56.96560	2.3
62.99083	2.2
63.51676	0.7
65.03942	11.5
65.86206	0.8
67.05507	3.8
69.21084	6.4
75.01057	0.9
77.03957	1.0
79.05495	38.6
84.01552	2.4
91.05484	100.0
92.06275	2.9
93.02065	0.9
95.04963	6.3
98.20685	1.1
105.04523	2.4
105.07035	36.1
106.04153	1.2
106.06576	2.0
107.04960	44.0
107.07418	2.0
107.08599	55.6
107.64392	0.7
108.04438	0.8
109.06519	13.5
119.06068	11.9
124.05215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
53.90083	1.0
59.76986	0.8
62.99083	1.6
65.03947	10.9
67.05512	3.0
69.71239	5.6
79.05499	40.6
91.05487	100.0
92.06264	2.0
95.04980	4.2
105.04547	2.4
105.07036	31.9
106.04211	1.1
106.06581	1.1
107.04961	25.9
107.08604	49.7
109.06507	12.7
110.54628	0.9
114.99500	0.9
119.06071	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01861	0.8
65.03945	12.6
67.05493	3.8
69.40862	3.8
69.41283	1.3
77.03933	1.0
79.05499	19.5
79.05965	0.9
91.05486	100.0
92.05779	0.7
92.06294	3.5
95.04993	3.4
105.04527	1.3
105.07035	36.3
106.04152	1.4
106.06578	0.6
107.04961	21.2
107.08601	50.4
109.06529	13.0
115.07562	0.6
116.95793	0.6
119.06069	10.6
124.05218	0.8
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
51.02386	0.7
53.03950	5.3
55.01872	1.5
62.99071	1.0
65.03949	12.0
67.05519	4.1
71.55733	0.7
73.83024	0.6
77.03931	0.8
78.22801	0.6
79.05499	35.2
86.56133	0.6
91.05490	100.0
92.05794	0.6
92.06277	3.2
95.04971	5.6
103.05480	1.2
105.04530	1.9
105.07041	32.4
106.04190	1.1
107.04971	34.5
107.08606	54.2
109.06528	14.2
109.48460	0.7
119.06074	11.1
124.05278	1.2
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	Unknow
Peak:m/z	Relative Intensity
52.54329	1.1
53.03950	4.2
55.01869	1.1
65.03946	13.1
67.05490	3.3
69.79170	2.0
69.79577	3.6
79.05502	39.0
86.18095	1.1
91.05489	100.0
92.06310	2.7
93.75272	1.1
95.04991	5.3
105.04514	1.9
105.07040	39.1
106.04213	1.3
106.06586	1.7
107.04970	40.6
107.08602	56.1
109.06533	13.4
119.06083	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01876	0.6
65.03945	11.1
67.05505	3.8
71.55981	0.5
75.01948	0.3
77.03951	0.3
79.05499	18.8
81.03470	0.4
91.05486	100.0
92.05829	0.7
92.06281	2.4
95.04963	1.8
103.05453	0.4
105.04534	0.5
105.07039	34.1
106.04182	1.6
107.04971	6.6
107.08599	54.5
109.05782	0.8
109.06522	14.5
109.07256	0.8
119.06077	10.9
119.25281	0.3
124.05203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.54274	0.9
53.03929	1.1
53.64391	0.9
65.03945	10.1
65.71316	0.8
67.05499	4.0
69.77956	0.8
70.34740	2.3
70.35136	1.6
79.05058	1.8
79.05499	22.3
89.73366	0.9
91.05489	100.0
92.06282	3.3
95.04977	1.5
105.04592	1.0
105.07037	34.3
106.04163	1.9
107.04955	9.2
107.08604	55.1
107.61539	0.9
109.06528	14.2
119.06071	11.8
124.25964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03960	0.8
55.01867	0.9
65.03944	11.8
66.75475	0.3
66.89928	0.3
67.05511	3.2
69.78309	1.9
77.03938	0.5
79.05499	17.0
91.05487	100.0
92.05775	0.6
92.06289	2.6
95.04959	1.6
98.20728	0.4
103.05473	0.3
105.04515	0.6
105.07038	32.4
106.04170	1.2
107.04955	3.2
107.08600	53.8
109.06525	12.6
119.06070	10.9
121.05757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01868	0.8
55.34449	0.5
64.37499	0.5
65.03943	11.9
67.05514	2.6
69.56568	3.4
73.54455	0.5
77.03940	0.6
79.05495	12.9
82.50607	0.5
89.99088	0.5
91.05484	100.0
91.45947	0.5
92.05775	0.9
92.06290	2.9
95.04990	1.6
97.83929	0.6
98.20688	1.0
103.05489	0.7
105.07036	36.1
106.04185	1.5
107.04940	3.2
107.08598	56.5
108.08981	0.6
109.06518	13.1
109.09001	0.5
111.66407	0.5
119.06069	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03946	2.0
65.03944	10.1
67.05516	3.7
69.34492	1.4
69.34897	3.1
77.03922	0.9
79.05495	23.9
81.63782	0.6
89.68913	0.5
91.05484	100.0
92.06261	1.5
95.04974	3.0
98.20960	2.3
103.05445	0.6
105.07034	29.1
106.04151	1.6
107.04961	14.8
107.08599	49.5
109.06523	12.8
117.03200	0.5
119.06064	10.6
120.06429	0.6
124.05170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.7612
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05490	3.3
81.07066	8.5
81.27425	0.5
83.04980	1.4
83.08619	3.3
86.06444	0.4
91.05486	10.6
93.07053	8.8
95.04980	8.2
95.08613	20.3
97.06538	0.8
97.10174	1.2
103.05504	0.8
104.32610	0.4
105.04480	0.5
105.07036	11.0
107.04961	1.4
107.07874	0.9
107.08601	15.6
109.06531	0.9
109.10168	10.3
110.10516	0.4
111.08086	0.9
111.11777	0.4
117.07026	0.9
119.04955	8.1
119.08593	17.5
120.08932	0.4
121.06535	2.7
121.10151	14.3
123.04443	33.5
123.08077	0.9
123.11707	6.4
125.09647	1.8
128.06296	0.4
129.07042	0.8
130.07745	0.5
131.08583	3.5
133.10141	12.2
135.08089	1.2
135.11699	10.6
137.09641	0.7
137.13290	1.8
139.07452	0.8
139.11180	0.5
141.01773	0.4
143.08501	2.0
144.09346	0.6
145.10144	7.0
147.04422	40.0
147.11699	11.3
148.04803	0.6
149.09682	2.5
149.13254	6.6
151.11206	0.5
151.14859	0.8
153.09142	1.1
155.08492	0.4
157.10136	2.6
158.10910	0.5
159.11682	6.1
160.12411	0.5
161.09657	1.7
161.13252	7.1
163.11224	1.1
163.14839	5.6
165.05493	22.5
165.12724	0.6
169.10077	0.6
170.10889	0.4
171.11700	2.2
173.09737	0.5
173.13292	4.9
175.11279	0.6
175.14845	11.5
177.16399	8.8
179.14368	0.8
185.13254	1.9
187.14854	6.1
189.12828	0.9
189.16396	18.0
191.17975	3.6
197.13309	0.7
199.14847	2.0
201.16388	13.1
203.14339	1.2
203.17969	20.1
205.15877	2.2
205.19547	0.6
207.17465	4.4
211.14880	1.0
213.16385	5.8
215.17967	10.1
215.19902	0.7
217.15938	1.2
217.19460	2.4
219.17450	2.3
221.15459	1.0
221.19081	1.7
225.16415	1.0
227.17976	1.6
229.15991	0.5
229.19527	1.8
231.17537	1.2
233.18958	0.4
235.16989	4.7
239.18135	0.7
241.19479	2.4
243.21111	1.4
245.19102	0.6
247.16895	3.3
249.18538	3.9
253.19612	1.1
255.21098	1.8
257.22632	0.6
259.16980	1.0
261.18515	3.9
267.21155	1.7
269.22702	1.1
275.20218	0.8
281.22681	0.4
285.18655	0.4
285.22198	1.4
287.20261	0.5
295.24191	0.5
299.20425	0.5
301.21671	0.5
303.23178	1.1
309.25754	1.1
313.44855	0.5
315.23135	0.7
329.24664	0.6
365.32016	0.9
391.33633	5.9
394.28577	0.6
407.33133	3.4
409.34662	15.0
411.32526	9.3
421.34616	1.0
427.35791	1.7
435.32632	1.5
437.34198	39.7
438.34570	1.5
439.35831	5.4
453.33847	1.2
455.35297	3.1
457.36816	100.0
458.37073	4.4
590.01593	0.4
601.38666	0.9
619.40100	2.4
1008.65277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.7613
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	0.7
79.05496	2.9
81.07063	8.0
83.04987	2.6
83.08619	2.7
91.05479	8.1
93.07056	7.7
95.04971	7.4
95.08620	16.3
97.06522	0.7
97.10168	1.0
103.05450	0.8
105.07040	8.8
107.04965	0.7
107.08603	13.8
107.09294	1.1
109.06530	0.7
109.10168	8.2
111.08076	1.3
117.07072	1.2
119.04951	7.3
119.08588	13.8
121.06531	1.8
121.10161	9.8
123.04440	23.1
123.08035	1.1
123.11729	5.3
125.09682	1.0
131.08591	2.7
133.10144	11.0
135.08083	1.3
135.11705	8.9
137.13300	1.2
139.07582	0.6
143.08578	1.7
145.10120	5.6
147.03235	1.4
147.04420	28.4
147.08153	0.7
147.11691	8.5
149.09612	1.6
149.13268	5.5
153.09041	0.7
157.10175	2.1
159.11693	5.3
161.09636	1.4
161.13280	4.8
163.11238	0.6
163.14903	3.6
163.16092	0.7
165.05492	15.1
167.08534	0.6
171.11705	2.1
173.13271	4.0
175.14830	11.7
177.16406	8.3
179.14252	0.6
185.13332	2.1
187.14813	4.4
189.16402	14.0
191.14345	0.6
191.17969	5.1
197.13232	1.0
199.05881	0.6
199.14911	2.1
201.16383	8.4
203.14352	1.3
203.17963	15.2
205.15941	3.5
205.19601	0.6
207.17456	2.4
211.14795	0.7
213.16422	2.5
215.17963	8.7
217.15945	1.3
217.19574	2.0
219.17569	1.6
221.19090	2.0
225.16342	0.6
229.19559	1.2
231.17529	2.8
233.18933	0.7
235.16980	2.7
239.17868	0.7
241.19514	1.0
243.21129	0.9
247.16891	3.3
249.18568	4.6
253.19701	0.7
255.21114	1.0
257.22568	0.8
261.18570	4.9
267.21152	2.0
269.22678	1.2
273.22263	0.8
285.22131	1.5
295.24149	0.8
303.23215	0.9
315.23013	0.7
391.33472	3.0
407.33075	1.9
409.34686	9.1
411.32526	10.2
421.34668	1.2
427.35913	2.6
435.32779	1.3
437.34201	32.0
438.34494	0.7
439.35648	5.8
453.34326	0.7
455.35269	2.2
457.36810	100.0
458.36871	2.9
474.41061	0.7
619.39410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03918	0.1
79.05478	0.1
83.04990	0.1
85.02907	0.3
85.31561	0.1
86.06084	0.1
87.04469	29.9
87.09082	0.1
88.04762	0.2
91.05477	1.2
92.04996	0.1
93.07049	1.5
95.04982	0.6
96.04494	0.1
97.02889	0.5
103.05478	1.1
104.04977	0.5
105.04515	0.2
105.05740	0.1
105.07008	0.1
109.02875	0.1
109.06561	0.1
110.03593	0.1
110.06062	0.1
111.04451	0.2
117.03390	0.3
117.05762	0.2
118.06535	0.5
120.08092	0.7
121.06510	9.8
122.06049	0.8
123.04450	0.4
125.05999	2.0
132.04468	0.9
134.06000	0.3
135.04425	0.9
137.06020	0.6
144.04459	0.7
144.08092	0.1
145.02838	0.7
146.06009	1.4
150.05513	5.0
151.03918	0.7
152.04723	0.2
153.05476	3.2
153.06715	0.2
162.05518	0.5
163.03912	7.2
164.07069	49.6
165.05495	0.8
165.07504	0.5
166.08638	0.2
167.07028	0.6
172.03934	0.3
176.07066	1.5
178.06322	0.1
178.08646	2.9
181.04961	0.1
183.06540	4.1
188.07060	0.2
190.04982	0.3
191.09331	0.2
204.06558	1.2
206.08131	0.1
211.55145	0.1
222.07599	1.2
224.09129	0.1
236.09193	4.8
248.09198	0.1
250.10751	100.0
251.11176	1.6
262.10736	1.2
264.12378	0.8
269.15649	0.1
270.11166	0.7
276.08621	0.6
290.10242	1.4
307.08148	0.1
308.11270	1.7
310.12918	0.2
314.10141	0.2
325.09128	1.4
326.13574	0.1
328.11792	0.3
342.13297	0.3
346.12830	0.1
356.14935	17.3
357.15390	0.3
365.61288	0.1
388.17307	0.2
396.16559	0.3
398.15970	0.6
414.15381	0.1
428.17068	21.9
429.17377	0.5
430.18646	11.3
431.18820	0.3
432.16632	1.4
439.90005	0.1
478.21982	0.1
507.14841	0.2
517.32617	0.1
522.21191	0.1
561.22247	0.3
636.47760	0.1
724.23126	0.1
756.24927	0.7
870.27411	0.6
902.30511	1.7
943.26819	0.1
952.09473	0.1
1008.34369	0.1
1050.36304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03915	1.4
79.05496	0.6
80.05012	0.3
81.03417	1.5
82.06576	0.3
83.04955	0.4
84.08127	0.5
85.02903	4.1
86.06071	1.1
87.04465	11.8
89.03917	5.0
91.05478	8.8
91.06063	0.3
92.03552	0.2
92.04948	0.2
93.07043	10.2
95.04965	3.2
96.04465	0.3
97.02890	5.2
99.04450	0.3
100.75742	0.2
102.05531	0.4
103.05467	8.6
104.07081	0.7
105.04525	1.4
105.07014	0.3
107.04970	1.0
109.02854	0.5
110.06032	0.9
111.04428	0.4
115.35832	0.2
117.03383	3.7
119.08473	0.3
120.05737	0.3
121.06503	100.0
122.06841	0.8
127.03906	0.6
128.06165	0.2
128.07063	0.3
129.05460	0.7
129.90498	0.2
132.68283	0.2
133.10132	0.9
135.03383	0.4
135.04417	7.9
138.05501	11.5
140.63235	0.2
145.02841	6.5
156.06544	6.6
157.06551	0.2
159.08134	0.2
163.03903	51.5
164.04230	0.7
164.07108	0.6
164.33763	0.2
165.05496	0.5
166.05092	0.2
167.07188	0.2
169.06540	0.4
170.08179	0.2
171.08133	0.3
173.05998	1.7
175.14851	0.8
177.05511	0.4
181.04964	1.3
181.06410	0.3
182.04474	0.2
186.05402	0.3
187.07536	0.6
188.09175	11.1
193.15909	0.3
197.05956	0.9
198.06749	0.5
199.07518	1.8
200.05545	1.9
201.05548	0.4
201.09114	0.3
202.06328	0.5
203.07033	0.9
209.06042	0.4
211.03995	0.3
211.07587	0.5
213.05446	0.2
213.09135	0.3
215.07094	0.8
216.07838	0.6
217.08653	0.5
219.06555	0.3
222.11221	0.2
223.07552	0.4
224.07024	0.5
225.05510	0.4
227.03389	0.4
227.07202	1.1
228.06528	0.4
229.96117	0.2
233.08165	0.9
236.07155	0.8
237.95538	0.2
238.08580	0.5
239.07170	0.4
240.06631	0.7
241.08740	0.3
242.05917	0.4
242.08160	0.5
243.06528	0.8
244.06041	0.3
245.07994	1.0
248.12856	0.3
250.08516	0.4
250.10857	0.6
251.07117	0.3
252.06505	0.5
254.04338	1.0
254.07994	1.4
255.05083	2.9
256.06128	1.2
256.09607	0.3
257.04498	0.4
261.07584	4.0
262.08340	1.6
263.09344	0.3
264.04083	0.3
264.06604	0.8
264.10358	0.4
266.08182	0.8
268.05978	1.0
268.09805	0.5
269.06628	1.5
270.05069	0.4
270.07620	1.8
270.10272	0.2
271.05789	0.8
271.09436	0.2
272.05676	2.5
272.09210	0.5
282.07217	1.9
282.10117	0.7
283.08603	0.3
284.09088	0.6
285.06369	0.3
286.07089	2.8
287.08878	0.5
288.08856	0.4
292.09784	0.5
294.07761	0.9
296.09311	1.0
298.07407	0.4
298.10764	0.4
299.08038	0.3
300.08652	5.4
301.09473	0.3
302.10406	0.4
305.10275	0.7
307.08066	1.0
310.10736	0.6
312.08832	0.4
312.12347	0.3
313.10318	0.3
314.10324	2.7
316.11758	0.3
320.09174	0.9
322.07098	1.7
322.10547	0.4
324.08936	0.4
325.09186	7.0
326.10043	0.3
328.11884	0.8
329.12637	0.4
330.09805	0.3
330.13239	0.5
331.14108	0.2
332.11417	0.5
338.10193	1.0
340.08060	0.3
341.08975	3.8
342.09760	1.5
342.13391	0.4
344.11600	0.3
346.13098	0.5
350.10159	0.2
354.09729	0.6
354.13510	0.3
355.10437	2.2
356.11270	2.8
356.15128	0.4
357.12183	0.8
358.09140	3.5
358.12881	0.4
368.11407	1.0
370.12732	0.6
372.10718	5.7
373.11490	3.4
373.15662	0.3
374.12274	1.0
375.13287	1.1
378.15506	0.3
381.13333	4.2
382.13281	1.2
386.12311	10.2
387.13098	8.7
388.13834	1.1
392.11920	0.4
396.14651	0.4
398.12326	0.4
399.12906	0.3
400.14017	5.5
401.14645	0.6
402.11942	0.2
414.15463	0.4
415.12506	0.3
416.13223	0.4
417.14285	0.8
418.14948	11.7
420.14636	0.5
424.13858	0.3
425.15936	11.7
426.16644	0.3
428.13565	0.7
432.16559	14.4
442.14905	1.1
452.17310	0.3
460.16028	13.9
461.14767	1.8
462.15216	0.7
474.16153	0.4
476.17300	0.4
478.14966	2.2
480.15149	0.8
492.17670	0.7
493.17285	5.2
494.17917	0.4
506.18195	3.6
507.18857	1.0
508.19394	0.4
520.19745	0.3
535.18488	0.5
536.19189	0.2
538.20734	18.4
539.21112	0.6
548.19037	0.3
562.20612	0.3
580.21765	16.9
581.22272	0.5
586.19165	0.3
604.20844	0.4
612.24286	3.1
684.25958	0.5
700.25299	0.7
706.23553	0.3
724.22357	0.8
726.26605	0.3
742.24017	1.5
756.24872	4.8
757.25293	0.3
766.23364	7.4
766.37415	0.4
767.23279	0.4
784.24573	1.2
798.25848	0.2
830.26215	0.3
862.29144	33.0
863.29053	1.7
902.30701	0.5
904.30225	34.2
905.29968	1.8
936.32904	3.1
1008.35156	2.0
1032.34619	0.8
1050.36145	8.7
1051.36243	0.5
1082.37744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.388
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03936	0.8
77.06576	0.1
77.95535	0.1
79.05485	0.6
80.05004	0.2
81.03411	1.1
82.06592	0.2
83.04973	0.2
84.08146	0.3
85.02911	2.5
86.06077	0.8
87.04472	7.8
89.03921	4.2
89.04472	0.2
91.05486	8.4
93.07050	10.5
95.04971	3.0
96.04473	0.2
97.02892	3.8
98.06107	0.1
99.04449	0.2
102.04667	0.2
102.05548	0.3
103.05475	8.9
104.07112	0.5
105.04527	1.4
107.04963	1.3
109.02923	0.7
110.06065	0.9
111.04481	0.3
114.05533	0.2
117.03383	3.7
119.04950	0.2
120.05738	0.3
121.06514	100.0
122.06842	1.1
127.03932	0.5
128.07074	0.5
129.05487	0.5
131.04904	0.3
133.10103	0.2
135.04430	6.7
138.05510	14.3
141.07002	0.2
143.04984	0.2
145.02855	5.4
151.03934	0.2
153.06984	0.2
155.08582	0.1
156.06563	6.3
158.06032	0.2
163.03915	38.1
164.04260	0.5
164.07094	0.5
165.05527	0.5
165.06947	0.1
167.07118	0.3
171.08112	0.3
173.05995	2.2
174.07610	0.1
175.07635	0.2
175.14914	0.2
177.05504	0.4
180.06618	0.2
180.08034	0.2
181.04996	1.1
181.06485	0.4
182.04514	0.5
183.04439	0.3
183.08009	0.2
185.06104	0.2
186.05498	0.2
187.07584	1.0
188.09195	14.1
193.06502	0.1
195.06505	0.4
197.06020	0.4
198.06776	0.2
199.07532	1.7
200.05579	1.9
201.05548	0.5
202.06369	0.3
203.07053	0.8
208.06062	0.2
209.06065	0.3
211.03998	0.3
211.07619	0.4
213.05536	0.3
213.09114	0.2
215.07079	0.6
216.07903	0.7
217.08640	0.7
219.06598	0.2
222.11313	0.3
222.17163	0.1
223.07573	0.4
224.07106	0.2
225.05492	0.5
227.03499	0.2
227.07219	1.0
228.08014	0.2
229.08662	0.2
231.66373	0.1
233.08043	1.0
234.11298	0.1
235.07565	0.3
237.05646	0.3
238.08678	0.2
239.07004	0.2
240.06622	0.2
241.08598	0.6
242.08194	0.5
243.06674	0.8
244.07303	0.3
245.08084	0.8
250.08537	0.3
250.10869	0.5
251.07108	0.4
252.06528	0.3
253.04944	0.2
254.04527	0.3
254.07918	0.9
255.05074	1.9
256.06067	0.4
256.09879	0.2
257.04565	0.3
258.07626	0.2
259.09723	0.2
261.07623	5.5
262.08374	1.7
263.09189	0.4
264.06680	0.3
264.10217	0.3
265.07205	0.2
266.08047	0.3
267.06372	0.2
268.06213	0.5
268.09598	0.3
269.04123	0.3
269.07095	0.8
270.05154	0.2
270.07681	1.1
271.05914	0.5
271.09659	0.4
272.05756	1.2
272.09348	0.3
278.08176	0.3
281.07977	0.3
282.07269	1.1
282.09985	0.4
283.08701	0.2
284.09088	0.3
285.06458	0.4
286.07208	1.8
286.10587	0.3
287.09143	0.8
288.08707	0.2
292.09943	0.4
294.07693	0.6
294.10962	0.2
296.09277	0.9
298.10663	0.3
300.08664	2.3
300.11853	0.2
301.09457	0.3
305.10217	0.8
307.08282	0.7
309.09979	0.2
310.10889	0.5
313.10181	0.2
314.10269	1.6
316.11993	0.3
320.08813	0.3
320.11740	0.4
322.07120	1.1
324.08853	0.3
324.12527	0.2
325.09222	4.7
328.11734	0.8
329.12958	0.4
330.13379	0.4
331.14221	0.2
332.11441	0.3
335.12903	0.4
338.10318	0.7
340.07764	0.2
341.08972	2.5
342.09805	0.9
346.12933	0.3
349.22049	0.1
350.10217	0.2
351.91599	0.1
352.11761	0.3
354.09769	0.4
354.13644	0.3
355.10556	0.9
356.11243	2.1
356.14935	0.2
357.12192	0.5
358.09308	1.7
358.13107	0.5
363.12286	0.3
364.11749	0.2
368.11343	0.8
370.12915	0.5
371.13699	0.4
372.10715	3.3
373.11526	2.7
373.15601	0.3
374.12216	0.9
374.16068	0.2
375.13376	1.4
378.15265	0.3
380.11411	0.3
381.13336	7.8
382.13388	1.3
384.14465	0.3
386.12308	5.4
387.13126	3.5
388.13831	0.7
392.11844	0.2
396.14709	0.4
398.12396	0.4
399.13184	0.2
400.14108	3.9
401.14899	0.5
407.15341	0.2
410.12405	0.2
411.09198	0.2
412.14178	0.2
414.15634	0.4
415.12616	0.2
416.17715	0.7
417.14230	0.3
418.14993	12.0
419.15665	0.3
420.14215	0.2
424.13821	0.3
425.15997	13.4
426.16147	0.5
426.88626	0.2
428.13574	0.5
432.16580	3.6
432.22229	0.3
442.14944	1.2
460.16061	14.8
461.15240	0.9
462.15274	0.5
469.94995	0.1
474.17270	0.3
478.14963	0.8
480.15295	0.4
492.17395	0.4
493.17395	2.0
495.17865	0.2
506.18195	1.6
507.18906	0.3
520.18036	0.1
526.17224	0.2
535.18115	0.3
538.20752	12.7
539.21167	0.3
542.20306	0.2
548.19116	0.3
562.20020	0.3
580.21777	12.2
581.22522	0.4
604.19904	0.2
611.18671	0.2
612.24164	2.3
622.21600	0.5
684.27142	0.2
706.24646	0.4
724.22675	0.9
726.28235	0.2
740.25800	0.9
742.25372	2.5
755.96167	0.2
756.12134	0.3
756.24976	2.7
766.23303	1.9
784.24487	4.2
785.25262	0.3
798.25488	0.3
844.29999	0.2
860.30927	0.3
862.29181	4.9
863.30762	0.2
874.32526	0.1
886.29468	0.2
902.31152	0.6
904.30280	43.2
905.30414	1.9
907.68225	0.1
934.31464	0.2
936.33093	0.9
1008.35138	0.3
1050.36218	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	1086.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
76.81336	0.5
79.05489	0.7
81.03434	3.7
85.02912	11.3
87.04464	0.6
91.03963	1.0
91.05489	3.7
93.03402	0.5
93.07063	1.3
94.04174	2.6
95.04965	0.5
97.02894	3.8
98.21509	0.9
99.04483	0.8
103.05440	3.3
107.04969	2.2
108.05750	1.1
109.02904	1.3
109.06503	1.1
112.26025	0.5
115.05463	6.1
117.07039	2.1
119.04939	0.6
121.06531	8.8
122.03651	4.1
124.05195	1.1
125.06013	1.5
127.03925	2.3
128.06245	1.5
129.07021	5.1
131.04938	4.3
132.05643	0.8
133.02895	0.7
135.04430	1.5
136.05229	4.2
137.05984	83.9
138.06381	0.5
139.07533	2.8
143.04929	10.4
144.05692	1.4
145.05019	4.2
145.06429	2.2
146.03667	0.9
146.07297	1.4
147.08037	0.7
149.06026	1.1
151.03911	1.3
151.07549	48.7
153.05496	2.7
157.06496	6.8
158.07281	7.5
159.04405	2.5
159.08052	1.1
160.05209	13.8
160.08917	0.5
161.05957	2.7
162.07710	0.9
163.03949	0.9
163.06303	0.5
163.07513	2.6
165.05461	1.2
165.09119	0.8
167.07065	1.8
170.07358	0.5
172.05202	2.0
172.08826	3.8
173.06059	2.8
174.05226	0.8
174.06781	31.9
175.07556	92.9
176.07968	1.0
177.05495	1.1
177.09108	4.5
178.08623	1.3
179.07048	1.5
180.08669	5.8
185.05904	0.7
186.06740	2.8
187.07556	31.1
188.08315	6.7
189.09114	100.0
190.09402	1.1
191.07031	1.0
191.10670	0.8
201.09117	43.7
202.09715	1.1
203.10684	8.7
205.08611	17.9
211.07516	1.4
213.09166	1.4
217.08578	3.1
219.08084	1.3
219.10143	19.6
225.09143	1.3
227.07045	0.6
231.08067	1.2
231.10147	13.2
233.09616	1.8
234.10461	0.8
235.09653	36.1
236.10124	0.6
239.07031	1.6
241.08553	2.2
245.09666	1.0
246.10469	1.5
247.07573	1.5
248.08359	0.7
249.11238	43.3
250.11694	0.8
253.08612	1.8
254.09393	6.3
255.06587	1.5
255.09891	0.6
261.09216	3.1
262.09872	3.4
263.10648	1.7
265.12228	0.7
269.08145	4.7
270.08893	3.7
273.09027	0.9
274.09909	3.5
275.07199	1.1
275.10678	1.7
277.09094	0.7
277.12268	2.6
278.09308	1.3
279.10144	2.5
284.10440	15.4
285.11200	13.0
290.09332	1.8
291.10199	5.0
293.11777	3.0
294.12534	1.8
295.09604	1.1
297.11218	2.7
305.11725	9.8
306.12549	7.9
307.09818	3.2
307.12875	0.9
309.11090	0.5
310.12061	4.0
322.12048	5.5
323.12711	1.9
325.14313	7.9
327.15897	0.7
337.14362	36.5
342.13358	1.2
355.15417	70.5
356.15750	1.7
373.16483	0.5
447.84442	0.5
552.24420	1.0
940.22675	0.7
1086.39600	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	109.0289
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02370	0.8
53.03947	21.1
55.01868	0.8
55.05512	2.2
56.96566	3.8
59.30950	0.5
65.03942	2.0
65.40957	0.5
67.05508	13.3
69.60684	3.4
74.99830	1.0
75.49048	0.5
77.00814	0.6
79.05491	5.2
81.03420	100.0
81.07063	10.9
86.00689	1.0
86.50640	3.0
87.00486	1.5
88.01781	0.7
91.05489	2.2
94.04206	3.0
97.02324	0.8
98.97581	1.5
106.02810	0.6
107.04979	1.3
109.02886	35.7
109.06524	12.8
109.07677	1.9
109.10165	7.0
110.06030	1.7
113.96397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03953	6.4
55.05515	8.7
65.03954	3.5
65.99334	1.2
67.05507	100.0
69.07069	6.1
71.94105	1.0
74.99838	6.3
77.00159	1.1
77.50105	4.4
77.99934	1.0
79.05495	12.4
80.06273	1.3
81.03423	9.4
81.07062	37.0
86.00705	3.1
86.50631	15.8
87.00456	5.8
90.71107	0.8
91.05498	3.2
94.04184	3.3
94.07798	1.1
95.51156	1.2
98.01420	0.9
98.20821	2.6
98.21507	1.8
104.53132	0.7
107.04959	2.3
107.08600	4.0
109.02885	3.1
109.06529	19.8
109.10161	66.2
110.06053	1.7
111.96870	0.9
112.96710	6.6
113.96402	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	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.7
54.75708	0.6
55.01878	1.1
55.05516	7.8
65.03952	5.6
66.04782	0.6
67.05509	100.0
69.07072	5.3
71.58553	0.9
71.94102	0.6
74.99864	0.8
77.00199	0.8
77.03917	0.6
77.50112	1.3
77.99967	1.0
79.05496	23.5
80.06278	1.0
81.03426	12.8
81.07062	47.2
82.06615	0.8
86.00693	2.9
86.50614	4.5
87.00469	7.7
87.46185	0.6
88.51064	0.6
91.05489	5.6
93.06116	0.6
94.04193	4.7
98.01414	0.7
98.51205	0.7
107.04973	1.8
107.08595	3.2
109.02901	3.5
109.06527	32.8
109.07703	1.6
109.10162	55.6
110.06058	4.1
111.96884	1.0
112.96679	1.4
113.96411	2.0
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
53.03955	3.7
55.05514	9.6
65.03939	4.0
67.05506	100.0
67.23892	0.7
69.07070	6.6
72.99756	0.6
74.99845	1.7
77.50112	2.0
77.99904	0.7
78.14412	0.7
79.05489	8.1
80.06295	1.3
81.03429	5.3
81.07060	32.6
82.06582	0.8
84.41718	0.7
86.00706	0.7
86.50624	6.8
87.00480	2.3
91.05456	1.5
94.04180	1.3
94.07825	1.0
95.51144	1.3
97.51506	0.7
97.71552	0.7
98.01424	1.2
98.21496	1.8
102.98061	0.8
107.08604	3.8
109.02847	1.2
109.06517	6.2
109.07666	1.7
109.10158	65.3
110.06042	3.0
112.96709	2.6
113.96424	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.05514	9.2
65.03940	4.1
66.15937	1.0
67.05510	100.0
69.07065	4.3
69.68970	2.7
69.69392	3.6
79.05497	10.2
79.61192	1.0
81.03426	8.3
81.07063	35.9
83.46637	1.2
87.00484	2.2
91.05489	2.8
94.04185	2.0
94.07838	1.1
107.08598	3.6
107.36488	1.1
109.02882	5.2
109.06535	14.3
109.10165	66.8
110.06064	1.1
122.93468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.75902	0.9
52.97322	0.9
53.03959	7.1
55.05310	0.7
55.05517	9.9
65.03931	4.4
67.05509	100.0
69.07066	5.2
69.07369	0.8
71.16332	0.9
71.16680	1.6
71.94125	1.1
74.99844	2.0
77.50103	3.8
77.99957	1.6
79.05499	11.9
80.06263	1.0
81.03423	12.5
81.07063	41.8
84.00407	1.0
86.00700	3.2
86.50635	10.1
87.00478	5.8
87.26808	0.8
91.05487	4.1
94.04182	3.1
94.07809	0.9
107.04942	1.3
107.08611	5.4
109.02892	2.2
109.06527	14.7
109.07658	1.7
109.10161	62.0
110.06059	2.2
110.10480	1.0
111.96854	1.2
112.96706	3.5
113.96429	2.2
120.46980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03949	3.6
54.45243	0.4
55.01873	0.5
55.05511	9.6
65.03944	3.0
66.04719	0.5
67.05506	100.0
68.05843	0.7
69.07068	6.0
70.73773	1.3
76.90009	0.5
79.05493	6.6
80.06276	1.1
81.03423	6.9
81.07061	29.9
86.00699	1.1
86.50626	1.0
87.00461	1.2
91.05484	1.4
94.04201	0.6
94.07824	1.7
106.42145	0.5
107.08609	4.1
108.41682	0.4
109.02900	4.1
109.06519	5.2
109.10159	60.4
110.06042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.69056	0.5
52.30093	0.7
53.03954	2.5
53.13810	0.6
55.05513	9.2
57.17962	0.8
62.56450	0.6
65.03956	3.5
67.05509	100.0
69.07078	4.7
70.14203	0.6
71.07761	1.4
79.05502	8.0
80.06284	1.4
81.03432	3.0
81.07063	29.2
87.00459	1.0
91.05502	0.9
94.07832	1.1
107.08619	4.3
109.06533	4.5
109.10164	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90779	0.8
51.24405	0.8
53.03936	1.8
55.05515	8.0
65.03953	4.6
67.05508	100.0
69.07076	4.3
70.31111	0.7
70.71338	2.2
79.05499	9.0
81.03437	1.8
81.07063	31.2
87.99683	0.9
91.05499	1.2
94.07788	1.0
107.08598	3.1
109.02897	1.2
109.06523	5.4
109.10162	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
53.16677	1.3
55.05515	8.9
60.87568	1.2
65.03935	3.6
67.05510	100.0
69.07073	4.3
69.41988	6.2
75.85667	1.0
79.05497	9.8
80.06278	1.2
81.03429	3.1
81.07062	35.9
85.86074	1.0
86.50626	5.4
87.00476	1.6
91.05491	3.8
94.04198	2.7
98.21443	2.3
107.04965	1.5
107.08598	4.2
109.02913	1.5
109.06531	14.8
109.10164	65.3
112.96761	2.0
120.77273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03953	16.7
55.01875	1.0
55.05516	7.5
56.65784	0.9
63.47282	0.8
65.03946	3.8
67.05510	100.0
69.07076	4.3
69.86056	2.5
69.86472	1.8
79.05496	8.7
80.06299	1.1
81.03425	31.5
81.07062	28.4
91.05512	1.1
94.04168	1.0
94.07810	1.0
98.21507	1.0
107.08591	2.6
109.02891	14.1
109.06522	6.1
109.10167	52.3
109.99696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.2
55.05517	10.5
65.03934	4.6
67.05508	100.0
68.99832	1.2
69.07072	7.1
70.89997	2.0
79.05496	19.5
80.06313	1.0
81.03425	21.1
81.07063	46.9
87.00478	2.8
91.05489	6.1
94.04205	5.2
98.21264	1.5
107.04958	3.0
107.08606	5.1
109.02899	6.0
109.05885	0.8
109.06521	50.6
109.10162	76.1
110.06034	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0557
Annotation	Imidazole-4-acetaldehyde
Peak:m/z	Relative Intensity
50.51651	0.4
53.03944	2.1
54.03460	0.6
54.14211	0.2
55.01873	7.1
55.05513	17.0
56.04786	0.4
56.05038	5.2
56.73842	0.2
56.96568	7.3
57.03445	1.4
57.43577	0.2
58.99860	1.4
59.05006	0.4
59.52182	1.4
62.02467	0.4
65.01208	0.3
65.03947	4.3
65.52199	2.1
66.02222	0.3
66.03475	0.4
67.03004	0.3
67.05500	1.1
68.00255	0.3
68.02641	1.0
68.05014	0.5
68.52728	0.7
69.03078	0.5
69.03436	8.2
69.04552	2.6
69.07060	0.4
69.59984	0.3
70.02943	0.5
70.06594	28.1
70.99846	0.3
71.01350	0.5
71.02994	2.2
71.04990	3.1
71.14523	0.5
71.14857	0.4
71.53041	0.4
71.95261	0.5
72.04522	1.9
72.52969	0.6
73.02701	0.6
73.51932	0.6
74.52718	0.6
76.53259	0.4
77.00886	1.0
77.02984	1.2
78.52965	2.8
79.01827	0.5
79.05489	0.3
79.51928	0.4
79.52834	0.3
80.02313	1.2
80.05003	0.3
80.52695	1.3
81.01923	0.3
81.03421	5.8
81.04531	1.8
81.07048	0.3
81.52584	0.4
82.01449	10.7
82.02943	0.6
82.05326	51.4
82.52456	0.3
83.01505	1.4
83.02974	1.1
83.05000	18.9
83.06104	66.1
84.01194	0.8
84.04508	12.3
85.01419	0.4
85.02899	1.4
85.04818	0.4
85.53739	4.4
86.03489	7.4
86.03941	0.5
86.53525	1.3
87.03382	0.6
87.53483	6.3
87.54320	0.7
88.00479	4.1
88.02680	0.9
88.03585	1.2
88.04169	1.0
88.50376	0.8
88.51584	1.8
88.52465	0.4
88.53320	0.4
89.00801	0.5
89.02856	1.0
89.53247	0.4
90.01508	0.4
90.52948	0.4
91.02705	0.6
91.05500	0.4
91.53123	2.6
92.03515	5.0
92.53607	1.4
93.03381	1.7
93.07087	0.5
94.04076	0.8
94.05544	0.3
94.54264	1.0
95.01356	0.4
95.02454	6.3
95.04004	0.6
96.02108	0.6
96.54002	2.2
97.00167	0.6
97.00968	2.0
97.02341	0.3
97.02893	0.3
97.04064	0.5
97.52102	0.9
97.99201	0.5
98.06057	0.3
98.97609	1.3
99.01933	0.4
99.02482	0.5
99.04281	1.5
99.52548	0.3
99.53473	0.5
100.02487	30.3
100.05205	0.5
100.53656	0.7
101.00843	0.6
101.02551	3.1
101.04025	0.8
101.54146	0.5
102.02260	2.7
102.02876	0.5
103.02460	0.8
103.54300	0.4
109.02914	0.4
110.97595	0.5
111.04463	16.7
111.05573	100.0
111.06296	5.6
112.05093	29.5
114.04028	1.8
115.01197	2.3
115.02468	1.1
115.96452	1.0
116.01370	0.3
116.98656	0.9
117.00967	0.4
117.04016	0.4
118.01173	1.1
118.03524	13.4
119.01962	1.1
119.03623	1.7
120.03281	1.6
121.01685	0.7
121.03519	0.6
123.04088	0.6
128.98647	0.5
129.04033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0809
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
51.02378	2.7
53.03953	29.2
55.01624	2.0
55.01878	32.9
55.05516	39.1
56.96570	1.6
64.40889	1.0
65.03945	3.6
67.05510	10.2
69.03439	16.0
69.07069	3.6
69.77457	7.0
73.38306	1.2
74.31207	1.0
76.51599	2.5
77.03921	6.6
79.05487	2.8
81.03425	3.0
81.07059	18.2
82.05309	1.2
83.04991	15.3
83.06089	1.9
83.08631	5.9
87.15788	1.1
87.50597	1.5
88.00475	6.4
91.05490	84.6
93.03427	1.6
93.07053	100.0
95.04989	24.1
97.01009	3.7
105.04521	11.5
111.04456	20.9
111.05578	4.7
111.08092	80.0
112.07612	1.2
115.96442	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0809
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03947	8.2
53.24855	1.0
54.99873	1.1
55.01879	14.8
55.05515	39.9
63.84839	0.9
65.03935	3.6
67.05510	4.5
68.05042	1.4
69.03432	11.1
69.07071	16.7
70.95718	2.9
81.07063	4.5
82.05303	1.8
83.04984	16.7
83.06070	1.3
83.08627	6.9
87.48428	1.0
91.05492	22.3
93.07055	37.4
95.04972	6.1
103.64628	1.0
105.04526	2.7
111.00791	7.1
111.04456	19.9
111.05582	4.3
111.08092	100.0
111.10811	1.5
112.07608	1.9
112.08387	1.6
117.46907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93841	1.5
57.03440	1.1
66.36273	0.4
67.01865	1.7
67.05508	3.9
68.02821	0.4
69.03423	0.6
70.02962	2.2
71.04994	2.6
71.94105	100.0
72.93791	2.0
81.53618	0.4
83.04993	1.1
85.02923	0.4
85.06573	1.1
89.00261	0.5
89.95144	8.3
90.00152	0.6
90.94839	1.0
95.01347	2.0
95.04970	1.7
95.08624	0.6
96.00864	1.6
103.76154	0.4
107.96246	0.4
110.70943	0.5
112.96715	7.3
113.00079	1.0
113.02377	69.7
113.03488	3.5
113.05984	4.1
114.09194	0.5
130.97758	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51672	0.4
53.03944	0.5
54.93831	1.1
55.01867	0.8
55.83813	0.3
56.96567	3.3
57.03435	1.8
58.99873	0.5
60.01395	0.4
60.02259	0.5
61.02924	0.5
65.52207	0.3
67.01846	0.4
67.05511	1.2
68.98303	0.4
69.01936	0.5
69.03434	1.3
69.44311	0.6
69.44713	2.0
69.52459	0.4
70.99829	0.4
71.02984	0.6
71.04994	0.7
71.49369	0.3
71.94106	100.0
71.95216	3.0
72.93790	1.0
73.02957	0.8
77.52171	0.4
78.52962	3.2
79.03099	0.3
80.52721	1.0
81.01919	1.1
81.03429	1.0
81.09147	0.3
82.01464	2.6
82.99827	0.5
83.16969	0.4
84.01197	0.4
85.01400	0.4
85.02921	1.2
85.53773	0.5
86.52723	1.0
87.53500	0.5
89.95146	6.2
90.01571	0.9
90.02409	0.4
92.52711	1.0
93.01907	0.4
95.04969	0.6
98.21482	0.5
100.02496	5.1
101.00887	4.5
101.53242	0.5
102.00990	0.5
102.02271	0.7
103.02473	0.9
107.96207	0.3
109.02879	1.0
110.01260	0.4
111.02959	0.9
112.96723	6.8
113.00931	1.8
113.02381	9.2
113.03546	0.8
113.06033	0.9
115.02451	0.9
117.96044	0.3
118.03517	1.8
119.01933	6.4
119.02719	0.6
120.02139	0.5
124.02525	0.5
130.97734	1.8
131.01915	4.4
133.03468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51672	0.4
53.03944	0.5
54.93831	1.1
55.01867	0.8
55.83813	0.3
56.96567	3.3
57.03435	1.8
58.99873	0.5
60.01395	0.4
60.02259	0.5
61.02924	0.5
65.52207	0.3
67.01846	0.4
67.05511	1.2
68.98303	0.4
69.01936	0.5
69.03434	1.3
69.44311	0.6
69.44713	2.0
69.52459	0.4
70.99829	0.4
71.02984	0.6
71.04994	0.7
71.49369	0.3
71.94106	100.0
71.95216	3.0
72.93790	1.0
73.02957	0.8
77.52171	0.4
78.52962	3.2
79.03099	0.3
80.52721	1.0
81.01919	1.1
81.03429	1.0
81.09147	0.3
82.01464	2.6
82.99827	0.5
83.16969	0.4
84.01197	0.4
85.01400	0.4
85.02921	1.2
85.53773	0.5
86.52723	1.0
87.53500	0.5
89.95146	6.2
90.01571	0.9
90.02409	0.4
92.52711	1.0
93.01907	0.4
95.04969	0.6
98.21482	0.5
100.02496	5.1
101.00887	4.5
101.53242	0.5
102.00990	0.5
102.02271	0.7
103.02473	0.9
107.96207	0.3
109.02879	1.0
110.01260	0.4
111.02959	0.9
112.96723	6.8
113.00931	1.8
113.02381	9.2
113.03546	0.8
113.06033	0.9
115.02451	0.9
117.96044	0.3
118.03517	1.8
119.01933	6.4
119.02719	0.6
120.02139	0.5
124.02525	0.5
130.97734	1.8
131.01915	4.4
133.03468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.03944	1.1
55.01878	2.4
55.05515	19.4
56.96566	0.8
57.03445	4.6
57.07077	2.9
58.06586	0.4
59.04999	1.8
60.04541	0.8
65.03944	25.3
67.01875	1.9
67.05506	100.0
68.05028	0.6
69.03441	1.5
69.07072	1.2
70.02953	2.9
70.06593	0.9
70.94943	1.0
71.04994	6.9
71.94096	3.9
71.95260	1.2
72.93797	4.4
76.78992	0.5
83.04987	25.0
85.02908	1.6
85.06546	5.6
89.50325	0.5
90.00128	1.2
90.94834	1.6
92.07964	0.5
95.01342	1.8
95.04971	14.0
95.08595	2.1
96.00871	1.1
98.50918	0.7
99.00699	0.7
113.00049	3.1
113.02372	55.1
113.03494	4.9
113.06007	21.6
113.07173	0.5
113.07948	1.3
113.10789	0.6
114.09182	3.4
116.39574	0.4
126.60019	0.4
127.70414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37115	0.3
55.01854	0.5
55.05503	0.4
56.96555	0.4
59.04754	0.3
59.05004	4.0
63.02379	0.7
64.21368	0.3
64.79292	0.2
65.03938	1.6
69.03430	1.6
69.07056	1.2
70.06580	1.3
71.07420	0.5
71.07763	0.5
72.93759	0.3
73.02927	0.3
73.06589	0.3
79.22346	0.3
80.33561	0.3
83.95343	0.3
85.02902	0.4
87.00800	0.4
87.04474	5.0
89.03391	0.5
89.03922	5.0
97.02894	0.8
97.06536	0.4
115.03951	3.5
115.05459	100.0
116.05789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	1.2
65.03934	0.8
68.88780	0.3
69.07067	0.6
70.06572	0.6
70.79918	1.0
72.69407	0.3
74.41311	0.4
78.00775	0.3
87.04473	1.2
89.03938	2.7
115.05463	100.0
116.05814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01857	1.8
55.02090	0.4
55.05516	2.7
56.96569	1.0
57.03424	0.4
59.05003	20.4
65.03934	2.0
69.03432	6.4
69.07070	7.2
70.06596	4.9
70.17873	1.2
71.04991	0.5
72.93784	1.0
73.02913	1.7
73.04053	0.4
73.06543	1.6
73.93828	0.7
74.93826	0.8
83.01325	0.5
85.02890	1.6
87.00834	3.4
87.04472	22.2
87.07757	0.4
88.07612	0.6
89.03415	0.5
89.03924	5.4
97.02903	2.9
97.06518	1.4
115.03960	22.7
115.05455	100.0
115.09505	1.9
116.05780	1.0
116.07102	1.2
116.13528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0703
Annotation	INDENE
Peak:m/z	Relative Intensity
53.03955	0.8
59.62353	0.5
60.66092	0.3
63.33666	0.3
65.03941	0.3
69.03435	3.4
70.99708	0.5
71.00014	0.5
71.05001	0.6
89.03919	0.9
91.05488	16.9
95.05005	0.4
99.04447	0.4
115.05465	44.2
116.06303	0.8
117.07025	100.0
118.06541	1.4
118.07352	0.9
121.88873	0.4
125.42769	0.3
129.48584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.6
53.03950	46.8
54.75192	1.1
55.01869	2.3
59.07399	1.0
66.92654	1.2
70.83828	2.6
72.08154	10.1
77.03924	10.0
81.03429	5.4
83.52360	3.2
83.75301	1.1
91.05491	3.1
95.04976	45.7
105.04520	21.5
118.06548	100.0
118.08654	5.4
119.06898	1.3
119.08636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02376	3.6
53.03699	2.2
53.03953	40.8
54.70475	1.2
55.01868	2.4
65.03953	1.6
69.59009	8.2
69.59415	2.2
70.09528	1.2
72.08164	6.9
77.03931	9.1
81.03412	4.1
91.05480	11.6
95.04980	39.0
95.05560	2.6
105.04536	21.3
116.05836	1.7
117.07042	5.0
118.06554	100.0
119.04970	2.7
119.08607	7.3
120.34559	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	4.2
53.03953	46.5
55.01859	2.8
56.27204	1.3
65.03929	2.4
65.44820	1.1
69.20743	10.2
69.21152	3.1
72.08168	10.7
76.50242	1.1
77.03931	11.3
77.63725	1.1
79.54119	1.1
81.03423	4.7
82.40253	1.2
82.85423	1.3
91.05491	31.4
92.05833	1.7
95.04982	39.4
105.04522	19.8
116.05794	3.0
118.06561	100.0
118.07310	5.5
118.08634	2.3
119.04957	16.0
119.08598	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01601	1.4
51.02374	3.4
53.03708	2.5
53.03951	44.1
55.01857	2.3
55.05493	4.0
60.19438	1.1
60.82343	1.1
64.45980	1.3
69.36134	9.9
72.08161	17.2
74.51849	1.8
76.09808	1.1
77.03928	7.7
79.24757	1.2
81.03423	4.6
83.52355	7.5
91.05475	11.8
92.52883	1.3
95.04978	39.7
104.74351	1.3
105.04534	17.8
117.07010	1.6
118.06553	100.0
118.08672	5.8
119.04913	1.2
119.08561	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01591	2.3
50.22615	1.8
51.02367	4.5
53.03951	49.3
55.01871	3.2
55.05515	10.2
55.78331	1.3
57.91882	1.5
58.06599	11.3
59.07381	8.2
63.15476	1.4
68.99686	1.5
70.03757	2.6
72.08160	64.4
74.51827	3.1
77.03928	6.3
81.03423	3.9
83.52366	19.1
83.68301	1.5
91.04961	2.8
91.05489	28.7
92.52898	8.3
95.03143	5.9
95.04973	44.4
103.05507	2.5
104.03680	2.5
105.04517	26.3
109.20149	1.5
117.07065	8.1
118.06550	100.0
118.08658	40.8
118.09512	1.6
119.04984	2.5
119.08578	16.0
127.96736	1.5
128.14862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02366	5.3
53.03710	2.5
53.03951	49.5
55.01860	2.0
55.77536	1.3
56.06396	1.4
65.98207	1.4
66.05505	1.6
70.08270	2.4
70.08673	3.5
72.08151	4.4
77.03936	12.3
81.03413	5.6
91.05477	11.3
95.04973	47.9
98.20890	2.2
105.04522	21.9
118.06551	100.0
119.04919	3.8
119.08567	4.0
129.55328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	4.4
53.03705	2.3
53.03952	45.0
55.01868	2.2
58.07725	1.6
69.22675	18.1
70.82439	1.7
72.08150	6.2
77.03944	10.5
81.03412	3.4
82.83184	1.7
85.02029	1.8
91.05495	6.2
95.04975	42.2
98.21353	7.7
105.04518	17.5
118.06554	100.0
119.04963	5.3
119.08595	3.4
121.53616	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02379	4.8
53.03711	2.4
53.03955	42.1
69.60833	5.8
69.61259	4.5
72.08155	3.6
77.03934	12.9
80.61092	1.6
81.03397	4.7
82.44239	1.4
83.52316	1.5
91.05495	3.9
95.04976	43.5
96.44372	1.7
98.21329	4.0
105.04529	23.3
118.06550	100.0
132.05420	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
52.35478	0.7
53.03941	1.2
55.05515	1.2
56.96572	1.4
59.31127	0.6
60.34395	0.6
69.03427	0.7
69.53891	2.6
69.54301	1.6
72.08163	6.4
76.93359	1.1
91.05492	25.4
98.20749	1.3
117.05776	2.8
118.06554	100.0
119.05045	0.7
119.06835	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02376	4.3
53.03953	46.1
54.35004	1.0
55.01876	2.3
55.97734	0.9
62.63459	0.9
69.66769	6.3
70.60667	1.0
72.08157	2.6
77.03930	9.7
81.03413	4.0
91.05487	2.2
95.04361	2.1
95.04975	39.1
98.21516	1.1
105.04524	20.4
118.06553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
52.58310	0.2
55.05515	3.7
57.05825	0.4
58.06603	20.7
59.07385	22.9
70.06590	0.3
71.10328	0.3
72.05662	0.5
72.08160	28.7
73.08492	0.2
76.04020	0.4
76.07646	0.3
85.42033	0.2
87.04483	0.2
118.08661	100.0
119.09018	0.6
133.08820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
51.00651	0.2
53.03948	0.6
55.05513	14.9
56.05023	0.2
57.05819	1.0
58.06607	1.0
59.05005	0.4
59.07379	1.3
59.39041	0.2
69.03433	0.3
70.22060	0.8
72.08157	100.0
73.08505	0.6
76.07635	0.2
82.01447	0.2
86.02633	0.2
88.51132	0.2
88.96601	0.2
91.05476	0.4
94.54245	0.5
95.04946	0.2
100.02483	0.6
106.05042	0.5
112.07600	0.5
118.06543	0.3
118.08656	7.3
137.33803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36710	2.1
55.47558	2.5
56.96560	5.0
67.05499	4.2
69.03426	13.1
70.71809	5.3
71.02977	3.6
78.76073	2.2
79.51900	2.3
82.01446	14.2
82.99847	5.7
83.01521	3.3
91.05496	14.7
93.53486	4.1
100.02489	22.0
101.00887	40.1
101.02556	5.4
103.02430	3.4
104.54691	2.4
118.03507	7.0
119.01927	100.0
119.08505	3.3
137.02939	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	119.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57206	1.1
50.78866	1.0
53.03959	1.3
56.96572	21.5
59.52163	1.1
61.02922	1.4
65.03952	2.8
68.95283	2.0
69.03438	5.4
69.52460	1.3
70.98121	1.4
71.04993	1.1
71.06382	2.1
71.06733	1.2
73.20294	1.1
74.97610	1.4
75.01028	1.1
76.14325	1.0
76.56404	0.9
78.52956	1.6
79.63696	1.0
80.41499	1.0
81.03437	4.3
82.01441	4.7
82.01860	2.2
82.99836	5.1
83.00778	1.6
84.04498	2.4
88.92081	0.9
90.01528	1.1
91.02329	1.6
91.05492	17.0
93.52628	1.1
93.53465	1.1
96.01550	3.2
97.99198	1.7
98.01314	2.5
98.97572	3.2
100.02495	11.4
100.97195	1.7
101.00888	42.6
101.02571	1.5
102.49526	1.1
104.42554	1.1
105.01054	1.1
105.02091	3.0
118.03539	2.7
119.01936	100.0
119.03529	8.3
119.04951	4.2
119.08519	1.5
133.91574	1.0
137.02979	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02369	0.4
53.03953	0.7
53.64808	0.3
65.03942	15.1
69.67965	0.4
71.58100	0.5
71.75192	0.3
77.87643	0.5
79.05509	0.6
91.05486	100.0
92.05844	1.1
93.07033	0.5
95.04972	0.4
98.32441	0.3
103.05476	1.5
104.06249	1.1
117.07014	2.1
119.04953	46.4
119.06788	1.0
119.08585	11.1
120.05251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03938	0.9
65.03944	9.7
69.73077	4.2
78.47288	0.9
87.81375	0.7
91.05486	100.0
92.05812	0.7
95.04938	0.8
96.05309	1.2
97.93544	0.7
98.20847	1.4
98.21449	1.5
103.05484	0.8
106.04185	2.8
106.04845	0.9
107.04984	1.3
109.06532	6.5
117.07016	1.2
119.04952	64.6
119.06032	5.0
119.06868	3.9
119.08566	5.6
124.05174	0.8
139.89531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.01588	0.6
51.84358	0.6
65.03949	13.6
71.04421	1.5
83.31094	0.5
85.04282	0.5
89.41254	0.6
91.05488	100.0
92.05822	1.2
95.05000	1.0
95.86147	0.5
98.21068	0.6
117.07029	1.2
119.04952	52.4
119.06799	1.2
119.08606	4.9
122.57307	0.5
127.99339	0.6
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
53.03945	2.3
63.35539	0.8
65.03946	5.8
67.85596	0.7
71.58375	0.9
79.05499	5.2
80.24557	0.8
84.80247	0.8
91.05486	100.0
93.07055	3.5
95.04960	0.9
103.05487	10.3
104.06261	8.1
105.04517	1.1
115.05443	4.2
117.07023	34.0
119.04964	9.1
119.06042	2.3
119.08588	98.8
119.87415	0.8
120.08913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
63.35539	0.8
65.03946	5.8
67.85596	0.7
71.58375	0.9
79.05499	5.2
80.24557	0.8
84.80247	0.8
91.05486	100.0
93.07055	3.5
95.04960	0.9
103.05487	10.3
104.06261	8.1
105.04517	1.1
115.05443	4.2
117.07023	34.0
119.04964	9.1
119.06042	2.3
119.08588	98.8
119.87415	0.8
120.08913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77728	0.4
51.04002	0.4
53.03939	1.7
56.96552	0.5
62.38918	0.5
70.22232	0.9
70.22626	1.0
77.91639	0.4
79.05498	0.5
90.86774	0.4
91.05499	5.0
93.07053	11.7
95.04967	1.6
103.05476	52.4
119.07322	0.8
120.08115	100.0
121.08433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.5
53.03714	1.3
53.03951	19.3
55.01866	2.0
56.61776	0.7
61.67148	0.6
62.33915	0.6
62.41213	0.6
65.03941	1.3
69.48020	4.7
77.03941	4.4
81.03415	1.5
88.03303	0.8
89.34634	0.6
91.05485	51.5
93.07049	53.0
95.04971	16.9
102.04707	1.4
103.05473	72.6
105.04522	8.2
121.06511	100.0
122.06870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02380	1.5
53.03711	1.3
53.03949	18.5
55.01864	1.8
58.93144	0.8
59.09690	0.8
71.06915	1.2
74.63448	0.7
76.21710	0.8
77.03924	4.9
79.05505	1.1
81.03412	1.2
91.05488	47.3
91.45189	0.7
93.07047	49.9
94.07377	0.9
95.04971	15.2
98.21186	1.2
100.66279	0.7
103.05473	63.1
105.04515	7.9
105.27595	0.8
119.04984	0.9
121.06510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02385	1.1
52.62344	0.5
53.03951	16.6
55.01873	3.1
65.03950	12.5
70.55576	1.5
77.03926	4.2
78.04700	0.7
79.05498	3.8
81.03430	1.6
87.09985	0.4
91.05488	49.3
93.03420	3.0
93.07050	58.0
94.07397	0.6
95.04977	16.7
98.03666	0.5
102.04700	1.2
103.05475	66.8
104.05822	0.9
105.04514	7.7
105.07033	7.4
106.07822	0.6
107.07336	3.5
111.04463	2.1
118.66602	0.5
119.08619	0.7
121.02876	27.6
121.03996	4.5
121.06511	100.0
121.10132	3.9
122.06857	1.3
122.09679	4.4
123.08109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02380	1.6
53.03711	0.9
53.03954	16.5
55.01875	1.4
62.55961	0.5
65.03937	2.1
69.50621	3.5
77.03924	5.2
78.01494	0.6
79.05481	1.6
81.03420	2.0
88.47971	0.6
91.05491	49.7
93.07053	52.2
94.04215	0.7
94.07414	0.8
95.04977	16.5
97.94893	0.6
98.20779	1.0
103.05481	64.7
104.05811	0.9
105.04536	8.0
105.07031	2.3
121.06519	100.0
121.10130	1.6
122.06873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02372	1.5
53.03713	1.3
53.03949	19.7
55.01862	1.4
56.51992	0.7
65.03935	1.6
77.03931	6.0
79.05479	0.8
81.03410	1.9
91.05487	50.8
93.07049	52.3
95.04974	17.0
103.05473	66.9
105.04525	8.4
118.06512	0.9
121.06509	100.0
122.06857	0.9
127.01268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01614	0.5
51.02374	1.6
53.03952	17.0
55.01876	2.1
60.92912	0.3
65.03949	1.2
69.26098	2.8
69.26498	0.7
77.03928	5.4
78.04705	0.4
79.05505	1.4
81.03425	2.1
91.05488	51.8
92.05826	0.8
93.07050	54.1
93.57115	0.3
94.07384	0.7
95.04976	17.9
102.04691	1.0
103.05476	69.6
104.05819	0.8
105.04523	7.8
105.07024	2.4
118.06521	0.4
119.04926	0.3
119.08590	0.6
121.06513	100.0
121.10098	1.6
122.06829	1.2
122.09662	0.8
123.08089	0.4
130.58727	0.3
133.76306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.5
53.03712	0.8
53.03950	15.4
55.01860	2.2
60.85283	0.5
65.03925	1.1
69.28426	2.9
69.28846	2.2
77.03931	5.8
79.05475	1.1
81.03424	1.4
90.46960	0.6
91.05483	50.4
93.07044	54.6
94.07395	0.5
95.04974	15.9
95.69429	0.5
102.04691	1.1
103.05470	68.0
104.05769	0.9
105.04514	9.1
121.06507	100.0
122.06895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.5
53.03714	1.3
53.03951	19.3
55.01866	2.0
56.61776	0.7
61.67148	0.6
62.33915	0.6
62.41213	0.6
65.03941	1.3
69.48020	4.7
77.03941	4.4
81.03415	1.5
88.03303	0.8
89.34634	0.6
91.05485	51.5
93.07049	53.0
95.04971	16.9
102.04707	1.4
103.05473	72.6
105.04522	8.2
121.06511	100.0
122.06870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02372	1.9
53.03954	17.0
55.01861	2.1
65.03928	0.8
67.95200	0.6
68.93633	0.7
70.25371	2.5
77.03932	5.8
81.03400	0.9
91.05490	49.9
93.07055	51.4
95.04976	19.2
98.21594	0.8
102.04736	1.2
103.05476	69.1
104.05807	0.8
105.04527	8.8
105.07001	0.8
121.06516	100.0
122.06813	0.8
131.47490	0.7
133.70862	0.6
139.25754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02388	1.6
53.03699	0.9
53.03952	16.3
55.01878	2.1
56.79960	0.4
61.43436	0.4
65.03928	0.5
70.71297	0.4
70.82909	1.1
77.03938	5.4
79.05476	0.7
81.03419	1.8
91.05489	49.1
93.07050	50.7
94.04189	0.5
95.04977	16.1
102.04702	0.9
103.05476	67.2
105.04524	8.8
113.39250	0.4
117.58385	0.4
118.06499	0.5
121.06513	100.0
122.06842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01607	0.6
51.02385	1.7
53.03951	17.7
55.01871	1.8
55.05530	0.7
65.00610	0.8
65.03944	4.9
67.05509	0.6
68.99789	0.6
70.06057	2.1
77.03938	2.9
78.05444	0.5
79.05501	5.7
81.03419	1.9
91.05487	52.4
91.55747	0.4
92.05821	0.7
93.03372	0.6
93.07049	58.7
94.07386	0.9
95.04977	18.3
102.04701	0.9
103.05475	64.2
104.05782	0.6
105.04522	9.2
105.07040	8.3
107.07383	3.6
111.04438	1.8
111.94337	0.4
121.02893	8.8
121.03999	2.6
121.06511	100.0
121.10139	5.7
122.06042	0.6
122.06854	1.0
122.08856	0.8
122.09674	8.1
123.08058	1.1
128.98695	0.6
133.07640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01582	0.9
51.02386	1.3
53.03708	1.0
53.03953	18.6
55.01877	2.1
65.03958	1.1
69.74155	1.5
69.74567	3.0
74.56570	0.8
77.03935	4.9
81.03425	1.5
84.27603	0.7
91.05490	53.3
93.07055	57.8
95.04980	17.5
102.04693	0.8
103.05479	66.0
105.04533	7.1
108.74277	0.8
121.06517	100.0
122.06833	0.8
122.27683	0.7
135.23914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.70327	0.5
51.02386	1.6
53.03949	15.0
53.04203	0.8
55.01878	1.2
65.03935	0.9
65.96310	0.5
66.36964	0.5
71.16683	0.8
72.34050	0.5
74.66152	0.5
77.03934	4.8
79.05490	0.9
81.03426	1.7
91.05489	46.8
92.04475	0.5
93.07050	49.6
95.04977	16.9
102.04716	0.8
103.05476	66.1
104.05827	0.7
105.04534	8.1
112.08582	0.5
121.06512	100.0
122.06837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02388	1.6
51.67592	0.7
53.03704	1.0
53.03951	18.5
55.01865	2.6
65.03913	0.8
77.03941	5.3
79.05486	1.6
81.03412	1.5
87.87050	0.6
91.05486	51.9
92.05770	0.8
93.07052	52.7
94.07400	0.7
95.04367	0.8
95.04976	17.0
102.04736	1.1
103.05477	69.4
105.04534	7.9
105.07047	1.2
118.06599	0.8
121.06516	100.0
122.06850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01597	0.6
51.02374	0.8
53.03950	16.2
55.01859	2.0
57.02863	0.6
65.03947	0.6
77.03935	4.7
79.05498	0.7
81.03416	1.2
91.05487	47.1
93.07050	51.7
95.04978	18.1
95.64127	0.6
102.04694	1.2
103.05474	66.7
104.05822	0.7
105.04533	8.0
111.87437	0.6
116.43987	0.5
121.06512	100.0
122.06858	1.4
129.73294	0.7
130.86502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02370	1.4
53.03710	0.8
53.03952	15.7
55.01870	2.1
58.37460	0.5
65.03950	0.6
70.35010	1.0
70.35377	1.1
77.03934	4.6
79.05508	0.5
81.03423	1.1
81.14735	0.5
91.05489	45.7
92.05901	0.7
93.07051	49.6
94.07377	0.4
95.04977	16.8
95.83781	0.5
102.04676	1.1
103.05475	62.5
105.04520	8.4
109.97230	0.5
121.06514	100.0
122.06852	1.1
134.97260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.70971	1.0
53.03951	12.6
55.05517	6.3
67.05496	2.3
71.58862	1.6
77.03909	2.2
79.05500	37.4
81.07051	2.7
87.29050	1.0
91.05486	38.5
93.07051	100.0
95.04976	12.4
103.05475	16.3
105.04523	4.4
105.07037	40.7
106.07813	3.9
107.07311	4.3
119.08577	6.3
121.06522	21.2
121.10150	44.9
122.09689	7.1
122.39122	1.1
123.08080	3.7
133.07593	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02367	0.8
53.03951	6.8
55.05509	1.8
65.03944	1.7
67.05503	1.1
69.54025	4.4
74.38834	0.5
77.03937	1.7
78.83900	0.6
79.05502	33.2
80.06291	0.9
81.07052	2.1
91.05491	17.5
93.07056	30.7
93.61196	0.5
95.04980	6.0
98.20800	1.4
103.05479	16.2
105.04559	2.9
105.07042	100.0
106.07867	7.5
107.07348	0.7
111.04467	0.9
119.02258	0.5
119.08595	14.5
120.05743	1.2
121.02863	1.9
121.06541	5.5
121.10156	56.2
122.09692	1.6
123.08092	11.3
126.07973	0.5
126.93297	0.5
133.07646	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	1.1
53.03950	9.3
55.05503	4.4
65.03938	3.0
67.05546	1.4
76.10746	1.0
77.03928	2.4
77.46428	1.1
78.04717	1.1
79.05502	33.3
79.05962	1.7
81.07056	1.3
82.36107	1.1
91.05488	24.0
93.07051	44.2
93.07639	2.3
95.04974	8.3
103.05468	21.8
105.04498	3.5
105.07040	100.0
106.07854	8.1
106.81663	1.1
107.07340	3.0
109.91805	1.1
116.43521	0.9
119.08595	17.0
119.48148	1.0
121.02884	5.2
121.06522	16.0
121.10152	64.3
122.09675	4.6
123.08077	8.3
133.07591	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.45189	0.8
51.02371	1.5
53.03739	1.1
53.03954	13.7
55.01886	0.9
55.05520	8.6
59.68410	0.9
65.03953	5.0
67.05521	2.1
69.53659	0.8
69.99424	3.5
77.03920	4.2
78.04739	1.5
79.05499	44.3
81.03419	1.2
81.07058	2.8
91.05487	42.1
92.05811	0.9
93.07051	100.0
94.07349	1.1
95.04971	13.4
101.13039	0.9
103.05471	25.8
105.04532	5.4
105.07037	50.3
106.04170	1.1
106.07841	5.0
107.07348	5.9
119.08592	8.1
121.02876	6.0
121.03982	1.9
121.06511	30.8
121.10152	46.0
122.09688	10.9
123.08091	4.4
124.47158	1.0
127.34230	0.9
133.07635	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02372	1.7
53.03703	1.0
53.03949	18.8
55.01870	2.9
55.05512	1.6
65.03940	4.5
69.65264	1.3
69.65687	4.1
74.67498	0.8
77.03934	5.2
79.05064	1.1
79.05502	17.8
81.03431	1.7
91.05486	51.5
93.07050	64.2
94.04142	0.9
94.07397	1.0
95.04974	18.1
102.04692	1.0
103.05475	72.3
105.04527	9.4
105.07037	54.1
106.07815	3.4
107.04965	4.6
107.07351	3.0
111.04436	0.9
119.08595	7.6
121.02888	6.0
121.04087	1.7
121.06516	100.0
121.10148	44.8
122.06876	1.4
122.09692	4.0
122.10458	0.9
123.08070	6.4
133.07610	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.2
51.02377	1.7
52.04142	1.0
53.03951	19.4
55.01862	2.2
55.05511	6.2
65.02100	1.1
65.03954	8.3
65.80446	1.2
67.05499	2.5
70.96543	2.1
70.96865	1.6
72.93851	1.1
77.03910	2.7
78.04704	4.9
79.05498	41.9
81.03404	2.3
81.07047	5.3
91.05486	57.4
93.07048	100.0
95.04980	13.6
103.05480	25.3
105.04522	5.1
105.07037	65.2
106.04178	2.5
106.07820	5.5
107.07320	12.2
119.08605	9.6
121.02916	7.9
121.04018	4.2
121.05663	2.5
121.06515	44.9
121.07386	2.8
121.10146	56.3
122.09683	18.1
122.10503	2.2
123.08087	7.1
133.07602	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	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
52.16379	0.6
53.03955	17.5
55.01867	2.3
65.03943	2.0
67.05530	0.8
69.64043	1.3
69.64452	2.7
77.03936	6.1
77.90329	0.6
79.05061	1.3
79.05502	21.1
80.92900	0.7
81.03423	1.4
81.07047	0.7
91.05489	54.5
91.76916	0.6
93.07053	64.5
95.04980	21.0
102.04681	1.1
103.05478	67.7
104.05805	0.8
105.04542	10.0
105.07041	62.2
106.07820	2.6
107.04954	2.0
107.07343	2.7
119.08590	8.5
120.05727	0.9
121.02911	1.5
121.06520	100.0
121.10152	50.2
122.06834	0.8
122.09686	5.0
122.10427	1.0
123.08086	6.7
133.07631	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	2.0
52.37760	1.0
53.03948	17.9
55.01874	2.1
55.05494	1.6
68.25476	1.1
69.49252	7.6
77.03942	6.6
79.05500	30.9
80.05837	1.1
81.03434	1.2
91.05488	52.9
93.07050	56.3
94.07388	1.3
95.04974	18.9
98.21463	2.4
103.05476	59.8
104.05785	1.3
105.04547	9.0
105.07037	100.0
106.07877	5.6
107.04970	10.6
107.07330	1.3
119.08592	12.8
121.06516	86.1
121.10152	81.4
122.07257	3.5
122.09669	2.6
122.10505	1.2
123.08058	9.6
133.07632	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	122.0967
Annotation	N,N-Dimethylaniline
Peak:m/z	Relative Intensity
53.03952	2.2
55.01853	0.5
56.96555	0.6
60.95467	0.3
65.03945	0.8
66.04723	1.5
67.05505	1.9
70.62006	0.9
77.03931	0.5
78.38624	0.4
79.01861	0.5
79.05496	8.1
80.05022	1.6
81.07043	2.0
82.01461	0.8
92.05833	0.7
94.04189	2.5
94.06580	1.4
94.07323	0.7
95.04975	7.4
95.08598	0.8
96.04421	0.5
98.21516	0.3
100.02483	3.3
103.05469	3.9
104.05799	0.9
105.03403	0.5
105.04527	1.0
105.07034	30.5
106.06554	2.5
106.07346	0.9
107.07339	60.4
108.07681	0.8
118.03547	1.3
120.08108	0.5
122.06139	2.8
122.06997	1.4
122.09669	100.0
123.04446	3.0
123.05556	5.7
123.08055	2.7
123.10016	1.3
133.07617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28528	2.9
56.96569	8.1
58.50529	4.9
62.16833	3.0
71.16792	6.8
79.01853	11.9
80.05001	11.9
80.46053	3.5
82.01450	43.1
88.02382	5.1
90.05612	3.2
95.04976	7.2
100.01856	6.0
100.02488	100.0
109.00506	5.0
118.03542	26.9
119.71993	4.1
123.04155	6.8
123.05536	37.2
128.22957	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63157	0.6
58.99855	1.3
65.70694	0.7
70.96899	0.9
70.97227	1.4
72.13252	0.8
73.68846	0.7
77.00876	0.7
82.01452	53.8
82.99857	1.2
88.00496	0.7
100.02489	100.0
101.00892	12.7
101.02608	1.3
105.87081	0.7
118.03529	27.0
119.01929	20.2
123.04099	1.5
137.02959	4.0
142.03485	1.4
144.20973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38051	0.6
57.49353	0.7
58.99820	0.8
69.99053	3.6
82.01450	47.7
83.01543	0.8
89.39589	0.7
100.02491	100.0
101.00897	5.6
101.02533	0.9
108.22378	0.8
109.64991	0.8
118.03532	25.9
119.01932	12.2
123.04070	1.3
137.02972	1.9
142.03510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
53.03946	11.6
67.05502	4.3
70.54683	1.9
70.55010	1.7
77.03922	3.3
79.01857	2.1
80.05026	6.0
81.03410	1.4
81.07056	3.6
82.01445	5.4
88.02383	2.4
95.04977	100.0
95.08579	0.9
96.04523	1.9
100.02493	11.5
104.01958	0.8
105.04537	4.5
106.07352	1.2
108.07652	1.1
118.03550	3.4
123.04433	34.5
123.05548	21.9
123.06358	0.8
123.08056	2.5
123.10001	3.2
123.11697	1.4
124.03966	3.0
144.00540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02377	1.6
53.00313	0.6
53.03948	11.0
55.01877	1.4
55.05525	0.9
56.37436	0.5
65.03954	2.7
67.01872	1.5
67.05505	17.2
71.01161	1.1
77.03919	3.6
79.05499	2.7
80.05008	2.3
81.03421	1.4
81.07059	6.6
82.01445	1.5
95.01336	14.6
95.04974	100.0
95.08611	3.9
96.04507	0.8
96.05309	0.7
97.66595	0.5
100.02479	3.9
105.03406	2.5
105.04514	5.6
106.07322	0.7
108.07685	0.7
109.09341	0.5
118.03503	1.1
120.04812	0.6
123.00787	2.1
123.04439	40.6
123.05541	8.2
123.08066	3.5
123.10004	3.7
123.11721	1.4
124.03941	1.6
124.04824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.6
55.05499	3.4
57.07072	4.1
65.03947	2.6
66.17718	1.2
67.05508	28.8
69.07073	2.4
71.58631	1.5
77.03931	3.3
78.03464	2.3
79.05496	16.7
80.05025	16.6
81.03416	2.7
81.07063	91.8
82.01453	9.9
93.07063	3.3
94.12066	1.0
95.01327	2.4
95.04976	100.0
95.08057	1.6
95.08615	19.9
96.04504	7.1
96.05261	1.2
100.02493	28.5
104.05836	1.3
105.03409	2.6
105.04509	7.0
105.07027	2.1
106.02950	1.6
106.07355	3.6
108.05718	1.6
108.07700	7.6
112.03840	1.3
118.03512	8.7
119.01939	1.8
121.10147	1.8
123.04441	40.1
123.05557	66.7
123.08064	19.2
123.09035	1.9
123.09194	1.7
123.10032	14.7
123.11710	31.0
124.03963	9.9
124.07630	2.0
135.39163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96414	0.6
53.03948	3.2
55.01869	0.9
55.05526	3.9
57.07079	5.5
65.03947	2.6
67.05511	23.2
69.07072	2.9
70.31422	2.0
78.03453	1.3
79.05501	12.4
80.05025	17.9
81.07062	100.0
82.01440	2.9
82.07379	1.2
91.05467	0.8
93.07062	1.8
95.04974	14.8
95.08613	19.7
96.04532	3.3
98.20792	0.7
100.02488	7.6
105.04513	1.4
105.07012	1.4
106.02920	1.9
108.05754	1.3
108.07674	2.1
118.03530	2.4
121.10197	1.3
123.04457	10.1
123.05559	69.8
123.08068	15.3
123.09997	3.1
123.11716	32.0
124.03963	4.2
124.12022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
52.93439	0.7
53.03943	4.5
55.01877	1.0
55.05515	5.2
57.07074	5.4
57.78160	0.6
65.03944	1.9
67.05507	23.4
69.07082	2.0
69.43883	5.6
72.11147	0.7
77.03935	2.0
78.03454	2.2
79.05499	13.9
80.05026	20.4
80.33891	0.6
81.03453	0.7
81.07061	100.0
82.01443	2.8
82.07378	0.7
93.07048	2.9
94.07822	0.8
95.04975	19.3
95.08614	16.7
96.04506	6.5
100.02489	9.8
105.03386	2.0
105.04508	1.1
105.07054	1.5
106.02937	1.0
106.07396	0.9
108.05771	2.2
108.07692	2.2
111.96320	0.7
118.03534	2.8
121.10156	2.1
123.04447	23.2
123.05556	82.4
123.08068	24.9
123.10053	3.9
123.11715	32.4
124.03978	4.0
124.05804	0.9
139.88506	0.7
140.49083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
52.93439	0.7
53.03943	4.5
55.01877	1.0
55.05515	5.2
57.07074	5.4
57.78160	0.6
65.03944	1.9
67.05507	23.4
69.07082	2.0
69.43883	5.6
72.11147	0.7
77.03935	2.0
78.03454	2.2
79.05499	13.9
80.05026	20.4
80.33891	0.6
81.03453	0.7
81.07061	100.0
82.01443	2.8
82.07378	0.7
93.07048	2.9
94.07822	0.8
95.04975	19.3
95.08614	16.7
96.04506	6.5
100.02489	9.8
105.03386	2.0
105.04508	1.1
105.07054	1.5
106.02937	1.0
106.07396	0.9
108.05771	2.2
108.07692	2.2
111.96320	0.7
118.03534	2.8
121.10156	2.1
123.04447	23.2
123.05556	82.4
123.08068	24.9
123.10053	3.9
123.11715	32.4
124.03978	4.0
124.05804	0.9
139.88506	0.7
140.49083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.2
56.96566	1.1
57.03436	1.1
58.99868	0.6
60.01403	0.6
61.02925	0.8
69.01933	0.5
69.03434	1.8
69.52437	0.3
70.01797	0.3
70.14193	1.2
70.99850	0.4
71.52193	0.5
72.52952	0.3
75.01913	0.3
78.03436	0.4
78.52962	2.2
79.03048	0.3
80.02963	1.0
80.05016	1.2
80.52697	1.6
81.01914	2.3
81.02839	0.5
81.03433	0.3
82.01450	2.3
82.99849	6.2
83.01499	2.2
83.04993	0.5
83.52171	0.4
84.01201	0.4
85.02143	0.5
85.02918	0.6
85.53760	0.5
86.52715	1.4
87.02728	0.3
87.53473	0.5
88.02695	0.3
89.00860	0.3
90.02419	0.9
91.53735	1.1
92.52686	1.6
94.02673	2.1
96.04501	0.9
97.01368	0.4
99.02909	0.4
100.02478	3.4
101.00889	49.5
101.02554	4.5
101.53217	1.0
102.00976	1.2
102.02237	1.1
103.00669	0.5
103.02528	0.4
103.03200	1.9
105.53488	0.4
109.02880	0.4
110.01268	0.4
110.53737	0.4
111.00459	0.3
112.03723	2.2
113.00888	0.9
114.00981	0.3
114.53965	0.5
115.02448	0.6
118.03536	1.0
119.01929	100.0
120.02053	2.5
120.03282	0.4
121.01579	0.4
121.02374	0.4
121.04276	1.4
124.02576	1.4
124.03960	11.5
124.05891	0.4
124.07595	0.8
126.04096	0.3
131.01891	2.0
132.01929	0.4
133.03439	0.6
137.02963	17.5
138.03088	0.3
142.03505	7.0
143.01894	1.5
143.03729	0.3
144.02077	0.4
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
54.12059	0.3
55.01864	0.3
56.96322	0.2
56.96573	1.4
57.03428	1.1
58.99879	0.5
60.00652	0.3
60.01409	0.4
61.02928	1.1
66.05997	0.3
67.02177	0.4
69.01924	0.5
69.03423	1.6
70.13631	0.9
70.99860	0.6
71.52182	0.6
73.02930	0.4
75.01896	0.4
77.00896	0.3
77.52172	0.3
78.03448	0.5
78.52962	2.6
80.02967	0.4
80.05037	1.8
80.52715	1.7
81.01903	1.5
81.02747	0.3
81.03422	0.5
82.01441	1.9
82.99844	5.9
83.01517	2.3
83.04970	0.3
84.01206	0.5
84.02437	0.4
85.02180	0.3
85.02885	0.5
86.52711	1.6
87.02765	0.3
87.53448	0.4
88.02711	0.5
89.00904	0.3
90.02421	0.7
91.53746	0.8
92.52717	1.5
93.53473	0.5
94.02677	2.3
96.04503	0.4
98.20724	0.4
100.02493	3.3
101.00886	46.6
101.02560	4.6
101.53219	0.9
102.00958	1.1
102.02245	1.0
102.53105	0.3
103.00642	0.4
103.02489	0.5
103.03193	1.4
103.53323	0.4
105.53462	0.9
109.02869	0.4
110.01295	0.4
110.53741	0.6
111.00411	0.4
112.03722	2.4
113.00858	1.3
115.02435	0.8
118.03524	0.7
119.01924	100.0
120.02067	1.8
121.01607	0.5
121.04263	1.6
124.02600	1.5
124.03956	13.1
124.07586	0.5
126.01142	0.3
127.02402	0.3
131.01895	1.4
133.03481	0.8
137.02959	16.3
138.03049	0.3
142.03494	7.8
143.01900	1.9
143.03613	0.4
144.02023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0235
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02367	0.8
51.83938	0.5
53.00299	1.4
53.03947	3.2
59.28570	0.5
69.03433	27.6
71.14398	0.5
71.48938	0.8
79.01843	1.1
81.03422	18.2
89.03223	0.6
97.02897	29.5
107.01331	1.1
125.02357	100.0
126.02730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.06
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
53.03951	6.0
55.01881	8.9
55.05518	13.6
57.03426	1.3
57.38924	0.7
65.03953	1.1
67.05507	5.4
68.99798	1.2
69.03441	5.2
69.04555	1.0
69.07076	19.0
69.45537	5.7
69.45869	1.1
71.01373	1.7
77.03951	1.0
79.05503	33.9
81.03421	11.8
81.03851	0.9
81.07080	3.4
82.06576	1.1
83.04991	100.0
84.04477	0.8
84.05349	0.9
91.05500	1.0
95.04986	3.5
96.05780	0.9
97.02909	16.5
97.06544	60.4
105.04547	1.6
107.05006	3.8
107.07847	0.7
107.08613	2.4
108.04525	1.0
125.02367	6.5
125.04400	1.1
125.06013	21.3
125.06953	1.2
125.09630	8.4
126.05554	1.0
144.41617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01876	3.3
55.05510	29.6
57.03430	4.0
65.03942	4.3
69.03437	21.5
69.07081	3.6
69.18302	3.9
71.05001	3.4
79.05496	31.0
81.07063	26.2
81.78265	2.9
82.06575	21.9
83.04488	5.5
83.04985	100.0
83.08636	6.8
84.01188	5.9
91.05479	28.8
97.02926	22.6
97.06538	10.3
98.20746	8.4
99.71760	2.8
102.02235	10.6
105.07024	7.8
107.08600	98.2
108.04508	8.5
109.06509	3.5
120.02029	3.4
120.03252	5.8
125.02337	14.3
125.04285	7.9
125.06070	7.3
125.09637	96.3
126.05497	4.9
136.24507	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	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03964	3.8
55.05510	29.5
63.91430	2.6
65.03942	5.2
68.05025	2.9
69.03435	20.5
69.07087	6.1
69.93314	7.9
69.93713	5.2
79.05499	36.9
81.07064	25.3
82.06594	8.1
83.04987	96.0
83.08633	7.0
91.05476	22.3
95.08580	2.6
97.02908	23.9
97.06558	13.1
102.02261	7.0
105.07042	17.9
107.08601	100.0
108.04520	6.2
109.06571	6.4
119.06104	5.0
120.02047	3.1
125.02325	15.9
125.04362	5.9
125.06045	7.3
125.08214	5.4
125.09689	98.9
126.05459	2.4
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	Unknow
Peak:m/z	Relative Intensity
52.50801	2.9
55.01867	3.9
55.05516	27.8
63.42519	3.1
66.55708	3.1
67.05496	4.9
69.03425	10.9
69.42340	27.4
71.01384	4.4
74.27510	2.9
79.05498	24.8
81.07080	22.3
82.06569	9.4
82.63723	4.2
83.04989	86.1
83.08614	8.7
91.05496	24.3
97.02888	18.7
97.06517	10.8
102.02256	8.1
105.07017	13.5
107.08603	97.7
109.06483	4.4
112.78098	3.9
125.02364	9.7
125.04198	3.8
125.05984	10.4
125.07121	3.4
125.09633	100.0
125.10560	6.0
126.05491	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	126.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
53.89734	0.3
55.01875	0.8
55.05518	0.5
56.05037	0.8
56.96567	6.7
57.03441	0.7
58.99860	0.4
60.99627	0.4
62.66138	0.3
65.03957	0.4
67.05526	0.3
69.03442	1.3
69.04564	0.3
69.52444	0.3
69.90422	1.0
70.06599	0.9
71.05005	0.4
72.52978	1.3
72.99625	0.6
73.02959	0.3
77.00844	0.3
78.52961	2.1
78.53895	0.3
79.52843	0.3
80.05010	0.8
81.03418	2.8
81.04546	0.6
82.01448	7.8
82.01918	0.5
82.06593	0.3
83.01538	0.9
83.05003	0.5
83.06120	1.1
84.01203	1.2
84.04510	0.6
84.08154	0.5
84.92777	1.5
84.96053	1.7
84.99604	4.3
85.01524	0.8
85.02032	0.3
85.02921	0.4
85.53777	0.3
86.53627	0.3
87.40138	0.3
87.53480	1.4
89.00791	0.4
89.03455	0.4
90.01589	0.8
91.53757	1.0
93.03370	0.5
93.52647	0.5
94.02701	0.9
94.52427	0.4
95.04993	0.4
97.02911	0.3
98.97620	0.6
99.04436	0.7
100.02489	12.0
100.52438	0.9
101.00891	0.8
101.02553	1.4
102.01001	0.7
102.02229	2.6
102.53125	3.3
102.97015	0.3
103.00644	42.2
103.01237	2.1
103.02533	1.5
103.03235	0.9
103.53929	0.3
105.53483	0.7
107.05012	0.3
108.04491	1.7
108.05627	1.0
109.02886	3.3
109.04008	3.5
109.07648	0.5
109.52938	2.5
110.97560	0.4
111.53640	4.4
112.03879	0.7
112.07609	2.5
112.54433	1.1
114.04062	4.4
114.04778	0.5
114.53207	0.3
114.53997	1.1
114.73957	0.3
115.01207	0.7
115.02483	0.6
116.02538	0.4
118.03522	3.8
119.01925	0.7
120.02014	1.9
120.03281	0.8
121.01671	100.0
123.02071	1.0
125.95394	1.0
126.02186	1.0
126.05563	2.5
126.06641	24.9
127.03913	3.8
128.98523	0.4
132.05095	2.2
133.03529	0.4
134.03485	0.3
138.02977	0.5
139.02704	20.5
142.03499	0.9
144.03221	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	130.0654
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
51.02394	0.3
51.08342	0.2
53.03940	1.3
56.05027	0.3
56.31926	0.2
57.07075	0.7
61.80916	0.2
67.05510	0.4
67.39246	0.3
69.03072	0.5
69.03436	6.5
69.07076	0.7
69.97749	1.2
70.06590	0.7
71.04993	0.6
74.09732	0.4
77.03954	0.4
82.06582	0.7
84.04040	0.3
84.04520	4.4
84.08152	39.0
85.08469	0.4
95.04977	1.0
98.47340	0.2
102.04693	0.4
103.05480	23.8
105.04523	0.5
112.07616	20.4
128.05014	1.5
130.06544	100.0
130.08617	13.8
130.15935	0.9
131.04945	1.7
131.06851	1.3
146.06017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88499	0.2
51.02375	0.2
53.03936	0.5
56.05045	0.4
58.22424	0.3
59.91645	0.2
69.03437	3.3
69.03800	0.3
69.07077	0.3
71.56483	0.4
77.03915	0.4
82.06583	0.6
84.04509	3.1
84.08147	29.3
85.08528	0.3
91.05478	0.3
95.04967	0.7
100.40617	0.2
103.05474	7.8
105.04561	0.3
112.07610	12.3
128.04976	1.3
130.06535	100.0
130.08589	10.4
130.15881	0.6
131.04922	0.4
131.06866	1.8
131.08595	0.7
146.06004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0654
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03943	0.6
55.05499	0.1
56.05031	0.2
57.07074	0.3
64.35905	0.2
64.69655	0.1
69.03432	3.2
69.07076	0.3
69.96952	0.6
70.06600	0.2
72.73694	0.1
73.00419	0.1
74.09719	0.2
77.03935	0.3
82.06586	0.5
84.04043	0.3
84.04511	3.2
84.08146	39.4
85.08479	0.4
95.04971	0.7
102.04716	0.3
103.05472	9.1
105.04543	0.2
112.07607	10.5
114.87146	0.2
119.07011	0.2
128.04980	1.4
130.06531	100.0
130.08598	12.9
130.15907	0.6
131.04979	0.3
131.06885	1.4
131.08580	0.3
146.06009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03949	0.7
56.05040	0.3
69.03432	4.2
69.07077	0.5
70.03758	0.2
70.06601	0.4
71.05016	0.3
71.56107	0.2
74.09738	0.2
77.03930	0.5
77.90157	0.2
82.06584	0.6
84.04039	0.2
84.04514	3.5
84.08149	29.3
85.08475	0.2
91.05491	0.4
94.06535	0.2
95.04990	0.8
103.05476	12.2
105.04499	0.2
112.07614	12.8
115.05463	0.2
117.71699	0.2
122.07860	0.2
128.04979	1.4
130.06538	100.0
130.08597	10.7
130.15927	0.4
131.04942	1.1
131.06885	1.3
131.08595	0.6
146.06007	0.8
149.01991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
56.05043	1.0
57.03444	1.0
60.05655	2.7
61.02932	0.5
61.77971	0.3
61.86230	0.3
67.05506	0.6
68.05029	0.4
69.03433	6.6
69.07084	0.6
70.03773	0.6
70.06597	100.0
70.76092	0.6
71.05001	6.2
71.06928	0.5
78.52956	0.5
82.01435	1.0
82.06580	0.4
84.04514	4.6
84.05299	0.6
84.08148	49.1
85.02919	1.0
85.06554	0.4
85.08499	0.5
88.02692	1.0
88.07646	0.6
88.52736	0.3
93.53484	0.5
95.03446	0.4
100.02476	1.8
101.00890	1.3
103.02393	0.3
103.05520	0.5
109.02834	0.3
112.07604	16.4
112.08730	12.2
113.00851	0.4
114.09222	0.3
115.02418	0.6
118.03506	0.9
119.01929	1.4
120.02003	0.4
128.81747	0.3
130.05013	0.4
130.08636	14.0
130.09747	4.7
130.12277	1.1
130.15820	0.3
131.01924	0.6
133.03490	0.8
142.03461	0.4
143.01913	0.5
145.03467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36140	0.8
56.69188	0.8
57.07079	37.4
64.01526	0.8
65.74457	0.9
67.05483	1.1
68.56207	0.8
69.03434	13.0
69.07050	0.9
70.06577	1.0
71.46507	1.9
72.08164	1.0
74.09724	29.5
82.06573	2.4
82.09920	0.8
84.04505	7.8
84.08148	100.0
85.08485	1.1
101.01878	0.9
103.05469	17.2
112.07611	44.5
121.61855	1.0
130.04884	0.8
130.06555	3.6
130.08647	35.4
130.15924	85.8
131.04958	4.0
131.16267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03954	2.6
69.03429	0.3
69.68201	1.6
71.21874	0.2
77.03929	1.1
81.03422	0.4
84.08148	0.4
85.08469	1.9
91.05476	1.0
95.04970	2.7
98.21468	0.5
102.04686	0.6
102.23434	0.3
103.05472	100.0
104.05803	1.5
105.04508	1.2
113.07938	1.2
131.04933	16.2
131.08620	1.6
141.72293	0.3
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
51.02383	0.4
53.03949	2.8
69.03461	0.3
69.78099	0.3
69.85307	1.4
69.85577	0.3
77.03932	1.1
84.08146	0.5
85.08479	2.1
91.05495	1.1
95.04963	2.6
102.04685	0.6
103.05473	100.0
104.05215	0.3
104.05785	1.5
104.73888	0.3
105.04515	1.5
113.07954	0.9
116.06200	0.6
131.04939	21.2
131.08551	1.7
131.55096	0.3
132.05336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75963	0.3
51.02394	0.3
53.03953	2.2
70.83875	0.8
77.03935	0.6
81.03401	0.3
84.08147	1.3
85.04841	0.3
85.07942	0.4
85.08476	6.6
86.09693	0.4
91.05489	0.8
95.04979	2.3
102.04695	1.1
103.05475	100.0
104.05814	1.2
105.04513	1.0
107.61185	0.3
113.07957	0.3
131.04938	16.4
131.09055	1.4
140.62849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.03957	2.5
55.01869	0.3
63.86525	0.2
67.05489	0.3
69.36168	1.5
69.36575	0.5
77.03935	1.2
81.03413	0.3
85.08482	1.0
91.05507	0.3
95.04983	2.4
102.04716	0.7
103.05478	100.0
104.05818	1.6
105.04536	1.4
113.07970	0.6
131.04942	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03947	2.9
56.67050	0.3
57.39990	0.3
70.72632	0.6
70.72958	0.5
77.03928	1.2
83.91678	0.3
85.08483	0.9
91.05481	2.0
92.93020	0.3
95.04985	2.7
102.04707	1.0
103.05476	100.0
104.05813	2.0
105.04540	1.2
113.07946	0.9
116.06246	0.7
131.04938	16.8
131.08525	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.4
53.03953	2.9
65.30981	0.2
65.45512	0.3
70.11198	0.9
77.03944	1.1
85.08501	0.6
91.05479	0.3
95.04974	2.9
102.04694	1.0
103.05478	100.0
104.05818	1.3
105.04533	1.0
131.04942	15.0
131.08563	0.2
137.30907	0.2
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
51.02394	0.2
51.72737	0.2
53.03951	2.8
69.76959	1.0
69.77384	0.6
70.88078	0.2
77.03931	1.5
81.03437	0.3
81.04232	0.2
91.05465	0.3
95.04976	2.3
98.21160	0.8
102.04709	0.9
103.05472	100.0
104.05785	1.5
105.04543	1.3
131.04936	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
51.58479	0.2
53.03952	2.8
69.73637	1.2
69.74034	0.6
77.03947	0.9
78.54633	0.2
84.08147	0.5
85.08481	1.0
90.88767	0.2
91.05502	1.0
95.04987	2.3
102.04697	0.7
103.05481	100.0
104.05830	1.5
105.04507	1.3
113.07928	0.5
113.66792	0.2
115.05487	0.3
116.06274	0.4
131.04948	15.3
131.08499	1.4
143.89153	0.3
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
50.42165	0.2
51.02379	0.4
53.03947	2.7
70.85210	0.6
77.03922	1.3
81.03404	0.3
94.52827	0.2
95.04975	2.8
102.04664	1.0
103.05471	100.0
104.05774	1.3
105.04485	1.3
131.04936	15.4
140.22591	0.2
141.41589	0.2
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
51.02378	0.4
53.03952	2.9
67.05487	0.2
71.24690	0.5
75.03206	0.2
77.03944	0.7
84.08153	0.9
85.08474	2.4
91.05473	1.7
95.04974	2.0
98.27885	0.3
102.04691	0.8
103.05470	100.0
104.05791	1.6
105.04535	1.2
113.07944	1.5
116.06229	0.5
131.04929	15.3
131.08456	1.6
132.05243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.03955	2.8
54.15285	0.3
54.81956	0.3
68.95307	0.3
69.03464	0.3
69.05283	0.2
69.62782	1.6
77.03943	1.0
84.08152	0.6
85.08477	3.3
91.05491	4.7
95.04975	2.8
96.05386	0.2
102.04696	1.0
103.05477	100.0
104.05814	1.4
105.04521	1.0
113.07951	1.1
115.05490	0.5
116.06247	1.6
129.07080	1.3
131.04938	15.8
131.08557	5.8
142.31671	0.2
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
51.02378	0.5
53.03945	3.4
55.45364	0.4
56.52913	0.4
57.03402	0.5
58.67136	0.5
62.39204	0.4
69.03442	0.5
71.58220	0.5
76.09988	0.5
84.08151	1.4
85.08479	6.1
91.05489	3.8
93.13628	0.4
95.04467	0.5
95.04979	3.1
102.04686	0.8
103.05477	100.0
104.05814	1.4
105.04527	1.8
113.02397	0.4
113.07966	3.8
116.06253	1.6
121.52222	0.4
122.78628	0.4
131.04939	17.6
131.06908	1.1
131.08475	4.2
131.28474	0.4
132.05226	0.5
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
51.02387	0.5
51.75575	0.3
53.03952	3.3
68.95309	0.5
69.40404	0.5
69.40812	1.9
77.03928	0.5
84.08149	1.1
85.07977	0.6
85.08473	4.0
86.09718	1.3
91.05500	2.7
95.04967	2.6
102.04704	0.6
103.05477	100.0
104.00175	0.3
104.05814	1.4
105.04519	1.3
113.07929	1.9
115.05441	0.3
116.06252	1.0
129.06996	0.6
131.04941	16.4
131.06946	0.6
131.08495	3.9
132.05283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16055	0.2
51.02384	0.3
53.03957	2.4
57.03438	0.3
59.04992	0.5
61.20575	0.2
67.05487	0.4
69.03435	0.3
69.72173	1.4
70.03791	0.2
77.03931	0.7
82.72051	0.2
84.08157	0.5
85.08475	2.4
91.05492	2.4
95.04969	2.7
98.01310	0.4
98.20792	0.4
102.04700	0.8
103.05477	100.0
104.05811	2.1
105.04532	1.2
113.07935	1.7
116.06263	0.6
129.07037	0.5
131.04941	15.3
131.06912	5.5
131.08488	3.2
135.54970	0.2
144.99586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01860	11.1
55.05505	9.7
56.96570	66.2
57.03443	14.6
61.02913	8.9
65.03928	8.9
66.04731	2.9
67.05499	14.6
68.00263	7.3
68.02603	3.7
69.03424	22.6
69.07064	11.5
69.96162	4.4
70.03760	4.1
70.06582	9.3
70.15330	8.5
71.02975	7.5
71.04977	3.2
71.94101	4.7
71.95258	3.0
73.02910	6.5
74.97599	3.3
75.01059	3.9
77.00844	7.9
78.52964	7.6
79.02164	4.1
79.05498	6.2
79.51182	4.5
79.51920	3.0
80.00269	2.5
81.03426	14.2
81.07051	5.9
82.01462	30.8
83.00769	8.3
83.01486	4.8
83.04994	6.2
84.01191	2.8
84.04501	4.0
84.08129	11.7
84.52953	6.9
85.02914	8.0
85.07896	4.2
85.08481	36.2
85.53734	5.1
86.03672	5.7
86.09692	10.2
87.00981	5.6
88.02657	7.9
88.51704	13.6
89.00786	14.3
89.50929	3.3
89.51546	3.9
89.90702	30.9
90.01523	3.9
90.52987	3.5
90.90404	3.1
91.05470	11.0
91.53718	7.8
93.03403	8.6
93.07024	6.5
93.53468	9.0
95.04953	9.5
95.08613	7.7
96.01553	5.2
96.53092	3.1
97.02879	5.5
97.53709	3.3
98.01297	30.6
98.52687	6.7
98.54475	2.8
98.97012	4.8
98.97598	62.2
99.01969	3.9
99.03712	3.3
99.04316	3.2
99.53491	9.2
100.02489	100.0
100.54212	2.8
101.00904	16.6
101.02570	12.5
102.01640	3.0
102.02238	18.3
103.02446	4.5
103.05475	38.5
104.52721	3.5
105.53445	9.5
105.55262	6.5
106.05074	9.5
107.01821	18.0
108.02425	2.9
108.03309	4.2
108.04205	6.7
109.00484	7.5
109.02888	6.9
109.52174	3.3
110.52695	3.1
110.54496	5.9
111.02084	12.4
111.04321	6.2
111.55277	3.6
112.07618	6.9
113.00899	5.7
113.07964	4.8
113.53201	9.1
114.04131	4.2
116.98632	39.6
117.02089	4.7
117.03957	6.2
117.51083	3.4
118.01070	12.2
118.02733	2.9
118.03526	43.3
118.52630	3.0
119.01933	49.5
119.03637	5.3
119.49001	4.3
119.53210	13.4
119.55013	6.5
120.02554	9.3
120.03329	8.5
120.04829	5.6
120.06023	4.0
120.53965	3.2
122.53729	3.1
124.02431	4.5
125.97460	5.2
125.99258	4.3
126.04008	3.3
127.01534	4.0
128.49529	31.9
128.98660	4.3
128.99532	8.4
129.03110	3.1
129.03963	7.2
129.49382	8.5
130.93344	2.6
131.01880	12.2
131.03989	2.5
131.04915	10.4
131.05893	3.1
131.08923	11.3
131.96153	11.4
132.05113	5.8
133.03465	3.5
134.98000	3.5
134.99677	13.5
137.02971	10.6
137.50008	37.1
138.00078	11.7
138.49939	5.6
138.72160	2.8
139.99135	2.9
140.00275	12.1
141.02731	5.6
142.03532	35.2
143.01898	7.3
145.03479	4.3
146.48926	3.5
146.99600	3.5
147.05074	6.5
148.94377	3.1
149.00841	10.4
149.50832	3.7
149.51933	2.8
149.97198	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	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91008	0.8
51.02379	0.7
53.03950	1.5
55.01883	4.0
55.05509	0.8
56.58065	0.7
66.04723	1.8
70.40342	1.9
77.03949	1.3
79.05500	10.4
82.07153	0.6
85.23504	0.8
90.04703	2.4
91.05475	2.2
95.05009	1.0
103.05486	10.0
105.07043	73.6
106.07365	2.0
115.05451	3.6
118.04173	12.3
121.73203	0.8
133.06508	100.0
133.10133	3.7
134.05971	0.8
134.06854	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10998	0.4
53.03957	2.4
55.01871	3.2
55.05517	0.9
56.96565	0.6
69.03418	0.7
71.57371	0.4
73.02879	0.5
74.86110	0.4
77.03948	1.3
79.05496	12.1
91.05490	4.2
93.07030	0.6
95.04974	1.8
97.02882	0.5
103.05476	7.4
105.03429	1.0
105.07039	91.2
106.07368	1.8
107.04961	0.7
115.05468	3.9
118.04159	0.6
118.07840	0.4
131.04945	1.3
131.08578	0.7
132.05667	0.5
133.02875	1.8
133.06502	100.0
133.10127	8.5
134.05978	0.5
134.06862	1.3
143.06055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.4
52.16589	0.3
53.03951	2.0
55.01872	2.7
56.91626	0.3
63.52113	0.3
65.03933	0.3
69.92056	0.4
69.92473	1.2
71.74664	0.3
74.02391	0.3
77.03929	0.9
79.05498	12.1
91.05478	5.0
93.07042	1.4
95.04950	1.7
103.05473	7.2
105.03432	0.8
105.07036	91.2
106.07366	1.1
107.04956	1.0
115.05457	4.4
117.07030	1.0
118.07851	1.6
131.04964	1.9
131.08583	1.8
132.05682	0.4
133.02953	1.7
133.06499	100.0
133.10132	15.6
134.06850	2.0
134.10405	0.3
143.06088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02375	0.4
53.03942	1.2
55.01880	3.1
66.99587	0.2
69.57243	1.5
70.67001	0.3
73.42670	0.2
77.03944	0.8
79.05499	11.1
81.03426	0.3
86.92773	0.2
91.05478	1.3
94.04222	0.3
95.04964	1.1
103.05479	8.1
104.05825	0.3
105.07040	83.3
106.07390	1.0
107.04953	1.0
115.05465	3.9
118.04156	0.5
131.04947	1.6
131.08559	0.3
132.05658	0.4
133.06502	100.0
133.10085	2.9
134.06847	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.76211	0.3
54.96325	0.3
55.01875	3.6
65.03971	0.3
69.55269	2.1
77.03924	1.0
79.05498	13.1
91.05492	3.0
95.04979	1.3
98.20723	0.4
103.05471	8.3
105.03423	0.8
105.07037	86.3
106.07359	1.3
107.04964	0.9
114.29567	0.3
115.05457	4.1
117.07027	0.3
118.07789	0.6
131.04956	1.7
131.08562	0.4
132.05710	0.5
133.02876	1.2
133.06500	100.0
133.10124	6.5
134.06860	1.4
139.54538	0.3
143.06082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02376	0.5
51.36860	0.3
53.03946	1.8
55.01871	2.1
55.05515	1.9
67.05501	0.5
69.52691	1.4
69.53096	0.7
71.54546	0.3
77.03934	1.0
78.63141	0.3
79.05495	10.4
88.67750	0.3
91.05483	14.8
93.07050	2.9
93.57645	0.3
95.05004	1.3
97.44814	0.3
103.05473	7.3
105.03422	0.8
105.07033	100.0
106.07375	1.1
107.04974	0.5
107.08584	0.8
113.93306	0.3
115.05446	5.3
116.06269	0.5
117.07003	2.7
118.04172	0.5
118.07793	3.7
123.07928	0.3
131.04951	0.8
131.08571	6.4
132.05643	0.4
133.02911	1.4
133.06496	72.9
133.10129	38.9
134.06831	1.0
134.10526	0.6
143.06071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
52.28188	0.6
55.01865	2.7
66.04713	1.0
69.67735	4.0
74.02440	0.5
79.05500	9.6
81.03443	0.7
89.03900	1.1
90.04711	3.7
91.05495	2.1
95.04971	2.1
103.05477	8.9
105.07039	64.7
106.07372	1.1
113.24581	0.7
115.05467	3.0
118.04182	12.2
119.42357	0.6
131.04942	1.2
133.06500	100.0
133.10120	2.3
134.06839	1.9
137.62498	0.7
150.17361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02355	0.5
53.73916	0.5
55.05523	0.7
63.56630	0.6
79.05509	2.7
83.47896	0.5
91.05489	17.1
93.07051	0.7
95.04974	0.7
96.98026	0.5
103.05457	2.4
104.06277	0.7
105.07037	100.0
106.07355	1.7
115.05398	0.5
131.08574	3.2
133.06514	3.2
133.10143	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.01828	0.6
53.03938	1.0
55.05518	5.4
67.05497	1.6
67.92268	0.7
68.13405	0.6
69.65122	2.0
69.65536	1.5
79.05491	5.1
91.05490	29.0
93.07053	5.5
95.05004	1.4
98.20911	1.9
103.05465	3.3
105.07040	100.0
106.07343	1.2
110.09343	0.7
110.23969	0.7
115.05455	2.5
117.07018	3.8
118.07835	3.4
131.08574	11.0
133.06487	4.5
133.10143	63.4
134.10457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09818	0.6
53.03940	1.0
55.05500	1.9
71.55988	1.0
79.05503	5.5
83.69084	0.6
91.05492	15.6
91.66566	0.6
93.07066	3.4
95.04957	0.7
103.05479	2.9
105.07044	53.3
106.07372	0.9
107.08561	0.8
115.05460	4.1
116.06258	1.1
117.07028	4.5
118.07839	5.9
131.08566	5.9
133.06589	3.1
133.10147	100.0
134.10490	1.8
136.38074	0.7
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
51.31600	0.5
53.03951	1.0
67.05495	0.6
68.27872	0.5
69.66638	2.5
77.03973	0.7
79.05493	3.8
87.20805	0.6
91.05483	13.4
91.06017	1.1
93.07047	3.4
95.04970	0.6
101.67172	0.5
103.05482	1.6
105.07036	40.5
106.07353	0.8
107.08553	0.6
115.05469	5.2
116.06217	0.7
117.07033	4.0
118.07811	5.6
131.08588	6.3
133.10139	100.0
134.10480	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03947	1.1
55.05516	1.9
58.36183	0.3
67.05499	0.4
70.02905	0.7
70.03288	0.6
70.87817	0.3
75.24478	0.3
77.03925	0.4
79.05500	4.6
79.29356	0.3
90.52374	0.3
91.05489	14.0
93.07045	3.8
95.04980	0.9
100.13821	0.3
100.74046	0.3
103.05479	2.4
105.03402	0.4
105.07040	43.7
106.07393	0.5
107.08592	0.8
107.94939	0.3
115.05463	4.2
116.06268	0.9
117.07024	5.4
118.04174	0.5
118.07824	6.0
129.07007	0.5
131.08591	5.4
133.02847	0.8
133.06529	4.7
133.10141	100.0
134.10495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.51178	0.4
53.03934	1.2
55.05495	1.1
57.29815	0.4
57.66031	0.5
66.16431	0.4
67.05504	0.7
70.47926	1.6
79.05499	6.7
90.79519	0.5
91.05487	15.9
93.07047	4.3
95.04989	1.1
101.98096	0.4
103.05450	2.9
105.07038	55.4
106.07378	0.7
107.08573	1.0
115.04197	0.5
115.05467	4.6
116.06237	1.0
117.07027	4.3
118.07816	6.6
131.08582	6.6
133.06520	9.5
133.10141	100.0
134.10457	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	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02368	0.4
51.04402	0.5
53.03950	1.4
53.49472	0.4
55.01878	0.8
55.05516	3.8
62.14920	0.5
65.65253	0.4
67.05509	1.5
70.00705	1.9
77.03954	0.7
79.05495	6.7
80.36089	0.4
81.04505	0.4
91.05490	28.7
92.06286	0.5
93.07040	6.6
95.05002	0.6
97.02862	0.7
103.05487	3.9
105.07040	100.0
106.07365	1.5
107.08608	0.8
112.02164	0.5
115.05456	4.5
117.07026	4.1
118.07824	5.2
123.07997	0.8
128.41467	0.4
129.07088	0.4
131.08588	10.6
133.06519	9.8
133.10141	69.1
134.10478	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.20129	0.3
53.03946	1.0
55.05515	2.2
56.96602	0.2
67.05519	0.6
69.74250	1.0
69.74660	0.6
70.73615	0.3
76.28155	0.2
77.03952	0.4
79.05495	4.6
81.15517	0.3
91.05486	14.9
93.07052	3.8
95.04990	0.5
98.21503	0.3
103.05465	2.4
105.07037	46.4
106.07366	0.6
107.08622	0.9
115.05466	4.5
115.95734	0.2
116.06301	0.6
117.07014	5.7
118.07806	5.3
119.46310	0.3
121.78091	0.3
123.07860	0.4
125.42647	0.3
129.06990	0.5
131.08563	5.5
132.54472	0.3
133.10138	100.0
134.10454	2.0
149.95360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.20838	0.3
52.54614	0.3
52.75637	0.3
53.03938	0.7
55.05512	1.6
65.03955	0.4
71.10756	0.9
79.05498	3.9
81.57053	0.3
87.53851	0.3
91.05489	13.8
93.07066	4.1
95.04978	0.5
103.05468	1.9
105.07039	41.0
106.07351	0.5
107.08608	1.2
115.05459	4.0
116.06294	0.9
117.07023	6.0
118.07822	7.1
118.33582	0.3
129.07034	0.6
131.08582	6.1
133.06487	1.2
133.10139	100.0
134.10481	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42335	6.4
55.01853	8.1
55.39909	5.9
56.96544	22.8
57.01057	5.4
57.03437	78.9
65.52184	6.2
69.03419	9.8
70.70436	18.2
71.06945	7.2
72.52948	15.1
73.02914	10.6
74.02442	94.1
74.23649	6.5
77.52166	27.9
78.52943	18.9
81.03417	8.0
82.01428	18.2
82.99840	9.1
85.02905	8.0
86.52699	100.0
87.02747	14.8
88.02660	25.6
88.03986	61.1
88.51669	7.1
93.01861	6.9
95.53216	43.5
98.97543	10.8
99.53467	14.8
100.02484	46.2
101.00267	8.0
101.00884	69.0
101.02549	7.1
102.01572	7.0
102.02377	11.9
108.26173	5.6
111.02888	7.9
113.00875	14.4
113.55755	5.6
115.02397	10.1
116.03479	7.4
117.22987	6.5
118.03523	12.8
119.01939	56.3
120.01992	6.5
122.53723	9.5
124.02442	27.4
131.01910	24.1
137.02948	8.7
137.49994	10.8
142.03488	89.0
143.01891	11.2
143.03593	7.2
147.01340	6.3
154.03476	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.9
55.01878	6.6
56.96558	10.3
57.03440	70.9
61.02917	4.5
65.52204	3.5
68.02653	3.1
69.03426	12.4
69.54929	24.2
70.99866	4.4
72.52988	21.1
73.02927	19.2
77.52189	23.5
78.52976	17.6
79.02169	7.6
81.03428	8.4
82.01454	29.3
82.99854	10.7
84.01192	4.3
84.52972	9.5
85.02899	9.0
85.53727	9.3
86.52711	100.0
87.01955	3.8
87.02771	13.3
88.02697	23.6
90.52977	5.1
92.52688	5.1
93.01890	12.0
93.53480	6.0
95.53220	42.5
96.03310	6.6
98.97580	3.9
99.53477	13.9
100.02497	55.6
101.00890	63.1
101.02539	6.0
102.00972	6.8
102.02389	14.9
104.53771	3.2
107.53223	4.4
108.54005	6.2
111.02945	19.3
113.00888	18.6
113.53168	6.0
115.02477	5.9
118.03513	11.7
119.01927	59.6
120.01995	6.3
121.01646	5.2
121.76836	3.5
122.53755	7.0
124.02468	40.5
125.02635	3.2
128.01976	3.9
128.97839	4.2
129.04034	3.4
131.01915	37.2
133.03514	4.3
136.02495	4.3
137.02963	5.5
142.03505	86.2
143.01924	11.3
143.03606	7.7
145.03494	9.7
154.03516	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	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.39708	1.0
53.03952	10.7
55.01874	2.8
55.05503	5.0
56.96553	1.5
58.02731	1.2
63.02370	2.6
67.05518	1.4
69.07074	2.5
70.13375	4.9
77.03941	2.0
79.05497	37.3
81.07054	1.9
89.03925	66.1
91.00678	1.1
91.05490	18.3
93.07053	25.8
94.07787	1.2
95.04974	10.2
105.04528	3.5
105.07052	7.6
107.04963	78.3
107.07861	2.2
107.08602	38.1
109.06493	2.8
115.05436	1.6
117.03391	29.1
117.07018	3.2
119.06077	1.5
119.08587	6.0
120.09363	1.7
135.04431	100.0
135.08057	14.4
135.11699	14.2
136.02180	6.1
136.06203	9.3
136.07533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03939	5.2
63.02362	2.7
68.94156	1.1
69.73275	7.2
69.95591	1.3
75.01515	1.2
79.05500	21.6
89.03925	100.0
91.05505	6.4
93.07040	9.6
95.04971	4.7
105.04546	2.0
105.07038	3.7
107.04963	20.3
107.08599	23.5
108.42239	1.3
109.06544	1.6
117.03386	45.8
119.08580	4.7
135.04427	98.4
135.08028	4.0
135.11688	8.3
145.04002	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.06586	1.5
53.56422	1.3
65.03932	4.0
67.15856	1.4
79.05499	12.3
80.37819	1.4
91.05486	28.6
93.07042	2.7
95.04935	1.5
105.07018	11.6
107.04942	1.8
107.08611	15.4
109.01104	3.2
109.06561	2.1
115.05459	4.3
120.82151	1.6
125.35827	1.3
135.08067	100.0
136.02167	62.2
136.06194	17.6
136.07291	1.8
136.07558	1.7
136.11232	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
52.50040	1.4
53.03953	9.4
53.04163	1.8
55.01877	9.4
55.05509	5.2
61.72751	1.5
64.42518	1.3
65.03937	5.4
67.05521	7.2
69.07088	2.3
69.93010	1.5
71.57705	2.2
79.05496	62.8
79.83353	1.4
81.07061	13.3
89.03928	12.3
91.05482	69.3
92.02642	1.6
93.03393	3.8
93.07045	49.8
95.04974	6.9
105.04503	2.5
105.07037	27.5
107.04956	15.3
107.08599	100.0
108.85166	1.5
109.06512	7.6
115.05462	13.0
117.03379	5.2
117.07020	18.7
119.06081	6.4
119.08590	11.9
120.09391	3.5
135.04436	32.2
135.05434	1.9
135.08060	34.7
135.11693	37.4
136.02184	8.5
136.06183	10.1
136.07616	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.70776	1.1
53.03947	4.7
55.05514	11.0
65.03937	1.3
67.05508	4.2
69.07063	4.5
71.48766	2.3
79.05497	26.0
81.07062	4.6
91.05489	35.8
93.07051	66.6
95.04974	7.4
95.08566	1.1
103.05459	1.0
105.04572	1.7
105.07047	15.5
107.04971	7.9
107.08601	100.0
108.08908	1.1
109.06493	4.9
115.05428	1.7
117.07021	2.5
119.06071	3.8
119.08614	6.4
120.09358	1.9
133.10222	1.1
135.04448	5.5
135.05476	1.2
135.08141	5.3
135.11705	30.9
136.02165	7.9
136.05330	1.3
136.06175	7.3
136.07625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.0
53.03950	5.2
55.01860	0.9
55.05518	10.8
65.03934	1.5
67.05502	3.7
69.07077	4.6
71.29099	1.0
77.03927	1.7
79.05058	1.5
79.05501	23.0
81.07056	3.5
89.03938	4.5
91.05487	35.1
93.07053	57.7
94.07846	1.3
95.04990	4.2
103.05471	0.8
105.04511	1.5
105.07042	12.9
107.04973	5.1
107.08602	100.0
108.08949	1.0
109.06496	2.1
115.05448	1.1
117.03366	2.9
117.07038	2.0
119.06096	3.7
119.08585	7.9
120.09376	3.0
133.10136	1.3
135.04414	7.2
135.08080	3.1
135.10684	1.5
135.11707	29.2
136.02280	0.9
137.09587	0.8
150.12097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03955	9.1
55.01859	1.4
55.05511	11.7
57.03439	1.2
57.07067	2.4
65.03933	3.5
65.39880	1.1
65.96363	1.2
67.05503	7.7
69.07069	5.2
69.91317	1.1
70.81893	3.5
74.20882	1.5
79.05058	2.4
79.05499	39.0
81.07055	7.9
88.39072	1.1
89.03920	3.9
91.05489	34.7
93.07052	73.3
95.04985	6.4
105.04516	3.5
105.07040	16.9
106.04218	1.4
107.04958	14.7
107.08601	100.0
108.35662	1.2
109.06560	3.2
115.05437	2.2
117.03414	1.9
117.07075	1.4
119.06065	3.9
119.08606	8.0
120.09357	2.2
121.01479	1.2
134.90416	1.1
135.04434	12.6
135.05438	1.6
135.08084	10.5
135.10684	2.6
135.11708	46.2
136.02168	7.1
136.06219	7.2
136.07523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.25065	2.1
53.03949	4.4
55.05514	17.2
55.38658	1.9
65.03930	2.4
67.05490	9.1
69.07058	8.1
71.58161	2.3
79.05051	3.4
79.05495	38.4
81.07043	8.6
91.04978	2.8
91.05491	42.3
93.04558	9.8
93.06478	4.5
93.07048	83.1
94.05288	5.4
95.04952	5.7
105.04542	2.1
105.07043	16.8
107.04956	4.8
107.08600	100.0
109.06476	4.0
117.07067	2.4
119.06048	4.9
119.08598	16.5
120.09348	5.2
134.07089	9.2
135.04436	4.0
135.06602	5.8
135.08026	12.2
135.08838	1.9
135.11697	45.3
136.02165	7.6
136.06195	28.8
136.08589	2.6
140.20216	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	4.8
55.01868	1.4
55.05510	6.2
65.03946	2.6
67.05509	2.3
69.07069	2.4
69.60190	6.3
77.03956	1.6
79.05495	25.7
81.07061	3.1
89.03924	3.9
91.05488	48.6
92.06309	1.2
93.07049	51.8
95.04975	5.4
98.20835	3.1
98.21501	2.4
105.04526	2.6
105.07041	23.4
106.07816	1.6
107.04967	5.4
107.08601	100.0
109.06548	5.6
110.64706	1.1
115.05466	3.6
117.03383	1.8
117.07030	5.0
119.06079	4.4
119.08593	16.8
120.09370	5.7
135.04459	11.0
135.08092	9.1
135.11708	40.5
136.02222	2.8
136.06239	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56419	0.8
53.03947	3.9
55.01870	1.5
55.05513	8.9
64.14352	0.7
65.03921	1.3
67.05486	3.3
69.07073	4.3
70.40004	1.7
70.40401	1.7
75.43339	0.7
79.05074	0.9
79.05501	17.4
81.07050	3.2
89.03905	1.4
91.05488	31.5
93.07048	61.9
94.07851	1.5
95.04971	3.3
98.48239	0.8
105.04494	1.0
105.07020	14.0
107.04957	2.5
107.08597	100.0
108.08949	1.3
109.06532	3.9
117.07014	1.2
119.06066	3.2
119.08595	6.9
120.09363	1.6
135.04411	3.1
135.08057	2.9
135.11702	26.4
136.02141	0.8
136.12009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03955	4.1
55.01858	3.1
55.05517	9.5
57.07069	1.0
65.03931	2.7
67.05510	4.0
69.03417	3.0
69.07079	5.0
77.03922	1.6
79.05497	32.7
79.05963	1.7
81.07065	4.3
84.58416	0.8
89.03925	6.6
91.05486	47.7
92.06285	1.4
93.07045	53.0
94.07841	2.0
95.04971	5.5
103.05480	0.9
105.04498	2.2
105.07039	17.8
106.04178	1.1
107.04967	8.7
107.08598	100.0
108.08910	1.0
109.06534	5.9
115.05465	5.8
115.98724	0.8
117.03374	3.2
117.07014	6.1
117.22190	0.8
119.06060	4.5
119.08591	9.7
120.09356	3.0
123.80534	0.9
129.38475	0.9
129.72710	0.8
133.10165	1.2
135.04433	10.4
135.05429	1.4
135.08076	15.6
135.10689	1.8
135.11696	27.5
136.02144	2.5
136.06187	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03954	6.7
54.39005	1.0
55.01855	1.1
55.05517	15.6
65.03934	3.1
67.05507	14.2
69.07076	8.0
69.35771	1.3
69.78915	7.7
72.54200	1.1
77.03915	2.5
79.05502	54.0
81.07071	15.1
89.03916	4.4
91.05487	30.6
93.07053	95.9
94.07839	2.3
95.04984	6.4
98.21478	2.2
105.04517	3.4
105.07038	17.6
107.04962	13.5
107.08607	100.0
109.06541	3.4
115.05501	2.0
117.03419	1.2
117.06963	1.6
119.06097	2.9
119.08607	5.2
120.05726	2.5
120.09403	3.1
124.28259	1.6
133.10097	1.7
134.54352	1.3
134.79120	1.2
135.04439	11.1
135.08072	25.0
135.11707	58.3
136.02174	4.7
136.06216	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	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.42680	0.8
53.03951	6.4
55.05514	6.9
57.07078	1.3
58.18523	0.8
65.03915	1.6
67.05505	3.5
69.07068	3.7
69.43626	6.1
79.05492	20.4
81.07047	3.2
91.05486	39.5
92.06272	1.1
93.07050	54.6
94.07355	1.2
95.05006	4.2
95.08611	1.2
98.06024	0.9
103.05457	1.3
105.04520	2.0
105.07037	18.8
106.07886	1.0
107.04992	4.7
107.08600	100.0
108.02277	0.8
109.06512	5.2
111.47638	0.8
117.07048	1.6
119.06079	3.9
119.08592	14.3
120.09386	4.6
135.04427	2.6
135.08081	2.9
135.11710	44.6
136.02185	2.4
136.06194	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.9
53.07314	0.5
55.05512	8.1
57.07094	0.6
63.02369	0.7
65.03950	1.6
67.05518	2.3
69.07074	3.1
69.37368	3.9
71.74021	0.5
77.03943	1.7
79.05499	19.5
80.05855	0.6
81.07066	2.9
89.03924	20.1
89.04484	1.0
91.05488	28.6
92.06231	0.6
93.07052	51.3
94.07861	0.7
95.04978	4.0
98.21481	1.1
105.04536	1.8
105.07034	15.1
106.04239	0.5
107.04957	6.0
107.08602	100.0
108.08953	1.4
109.06530	3.5
115.05406	0.8
117.03394	7.9
117.07056	1.4
119.06102	3.5
119.08599	7.9
120.09372	2.2
133.10059	0.9
135.03387	1.0
135.04428	19.7
135.08069	2.4
135.11699	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	2.9
55.05510	5.6
57.25491	0.8
57.76611	0.9
65.03959	1.5
67.05499	1.7
69.07072	3.9
69.75119	4.9
70.82098	0.8
77.03930	1.0
79.05496	16.1
81.07058	2.6
89.03926	3.2
91.04906	0.9
91.05483	25.2
93.07050	49.3
94.07857	1.2
95.04981	2.4
98.21442	1.0
105.04505	1.0
105.07033	10.8
107.04941	0.9
107.08601	100.0
108.09012	0.8
109.06532	3.4
111.23782	0.8
117.03364	1.6
117.07075	1.0
119.06071	3.1
119.08564	6.0
120.09374	2.6
133.10110	1.0
135.04454	4.3
135.11697	23.3
139.98196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.62664	1.0
53.03954	6.9
55.01869	1.7
55.05516	12.9
65.03924	2.7
66.22727	0.9
67.05495	4.0
69.07081	7.5
69.86395	3.9
70.82879	0.9
77.03915	1.4
79.05500	28.5
81.07055	4.5
85.91272	0.9
89.03915	2.3
91.05486	45.2
93.07049	67.1
94.07865	1.2
95.04980	4.8
98.21463	2.1
105.04541	2.1
105.07039	18.9
107.04945	1.9
107.08601	100.0
109.06524	5.2
115.05471	4.2
117.07018	4.4
119.06077	4.0
119.08591	12.0
120.09361	3.5
133.10129	2.5
135.04382	2.2
135.08069	10.2
135.11699	35.0
148.22137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96562	0.3
65.36299	0.2
67.03003	0.3
70.23247	0.7
70.23664	0.4
91.05479	0.4
94.04058	2.4
107.39762	0.2
109.05161	0.4
113.00892	0.2
114.61245	0.2
119.03561	8.6
131.01906	0.5
136.06197	100.0
137.04604	3.8
137.06505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22102	0.2
59.62287	0.2
64.80740	0.2
66.57014	0.1
67.02972	0.3
71.00610	0.2
71.00964	0.3
71.94006	0.1
92.02487	0.4
94.04070	3.2
109.05143	0.6
112.05106	0.2
119.03559	7.7
122.03635	0.7
131.01930	0.3
136.06195	100.0
137.04590	3.1
137.05968	1.7
137.06671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
56.14346	0.3
65.03939	5.6
69.21765	2.0
69.22195	1.8
77.03955	0.4
79.05502	1.1
81.07069	3.0
91.05488	100.0
92.05816	1.2
94.04193	3.7
95.60847	0.4
98.21458	0.8
98.82347	0.4
100.87827	0.4
107.04980	0.7
109.06538	3.5
109.68491	0.4
119.04955	38.1
122.03654	5.1
137.05991	50.7
138.06349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
53.00868	0.3
65.03941	5.1
67.05493	0.7
67.26027	0.3
69.30013	0.3
69.30640	2.3
79.05502	1.5
81.03435	0.3
81.07056	3.7
91.05483	100.0
92.05834	1.4
93.07034	1.1
94.04195	0.8
95.04980	0.7
95.08620	0.5
107.04957	0.6
109.06523	3.8
109.10153	0.7
119.04948	40.0
120.05249	0.7
122.03660	0.9
122.07304	1.2
125.92707	0.3
137.05981	43.0
137.09590	2.5
138.06354	0.6
141.87032	0.3
157.58496	0.3
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
55.01861	0.6
66.04733	3.8
68.22828	0.5
69.20769	0.8
69.21173	3.5
72.01271	0.4
73.46224	0.4
75.37667	0.4
77.03944	0.8
79.05498	3.0
81.07061	1.6
91.05492	3.8
94.04195	29.1
95.04968	0.6
98.21307	1.9
107.04951	1.2
109.06470	0.8
122.03653	45.3
126.60680	0.5
127.60381	0.4
135.04384	0.5
137.05986	100.0
138.06316	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	Benzylformate
Peak:m/z	Relative Intensity
53.03955	4.1
55.01878	3.4
55.05510	1.9
56.96561	3.9
57.03440	2.2
63.02721	0.9
65.03944	12.3
66.04734	1.0
67.05511	7.4
68.99796	4.5
69.03432	10.7
69.36590	3.5
69.37005	4.9
79.05501	36.5
81.03455	1.3
81.07063	100.0
82.07441	1.7
91.05488	99.2
92.05836	1.3
93.07046	4.3
94.04199	12.2
95.04966	7.9
95.08631	1.6
98.21484	2.1
98.97606	2.0
107.04959	8.7
109.02915	2.0
109.06526	77.7
109.10155	2.1
110.03569	1.2
110.68272	1.2
111.04446	1.7
119.04948	28.8
120.03873	1.4
121.03999	1.4
122.03682	4.5
137.02512	2.3
137.04649	5.9
137.05917	83.7
137.09616	3.0
138.05487	1.5
138.06415	1.8
138.09200	1.6
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	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
53.27955	1.1
55.05478	1.1
57.48455	1.0
67.05505	17.1
69.03440	1.6
71.47394	1.6
77.97781	0.9
79.05501	1.6
81.07059	7.4
91.05476	9.1
93.07047	2.8
94.04195	1.6
95.08601	5.5
98.21643	1.1
100.73622	1.1
106.37491	1.1
107.04955	10.9
107.08556	1.4
109.10165	26.8
119.08574	10.9
121.06521	4.1
122.03651	3.9
122.07297	71.0
135.08055	3.1
136.70515	1.0
137.06007	10.4
137.09624	100.0
138.09888	1.6
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	4-Propylphenol
Peak:m/z	Relative Intensity
51.02372	0.7
53.03942	1.2
55.05501	1.2
65.03947	3.3
66.04715	1.7
67.05180	1.3
67.05510	20.4
69.03429	1.6
69.44395	4.7
77.03918	1.2
79.05499	3.5
81.07069	9.1
91.05487	60.2
92.05824	0.9
93.07043	3.5
94.04192	16.9
94.07786	1.0
95.04964	3.1
95.08638	4.5
103.05494	1.0
104.06296	0.8
107.04966	10.7
107.08591	1.1
109.06513	3.2
109.10165	28.8
117.07030	1.7
119.04950	20.8
119.07787	1.2
119.08590	14.2
121.06515	6.4
122.03657	28.3
122.07294	70.2
135.08052	3.1
137.02455	0.9
137.04890	1.6
137.05989	83.9
137.09622	100.0
138.06369	0.9
138.10008	1.6
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	4-Propylphenol
Peak:m/z	Relative Intensity
53.03942	0.9
55.05513	1.3
65.03939	0.7
67.05176	1.1
67.05515	18.5
67.54762	0.6
69.03420	0.7
69.07069	0.9
70.33066	1.8
79.05499	2.7
81.07065	8.2
81.77784	0.6
84.28085	0.6
84.58247	0.6
91.05488	16.0
91.79476	0.6
93.07056	3.6
94.07821	0.5
95.04967	1.8
95.08624	7.8
98.20757	0.8
103.05520	0.9
107.04970	12.0
107.08604	0.7
107.83466	0.6
109.06503	1.9
109.10167	31.2
117.07017	1.4
119.04940	3.1
119.08588	11.2
121.06508	5.1
122.07297	71.9
123.07596	1.0
135.08051	4.1
137.06001	5.6
137.09628	100.0
138.05507	0.8
138.09973	1.6
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	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.05510	1.7
56.68465	0.5
59.34796	0.5
61.63626	0.6
64.21182	0.5
65.03931	1.1
67.05508	17.4
69.03453	1.4
69.07082	1.1
71.57299	0.7
79.05486	3.9
81.07059	10.7
91.05486	19.7
93.07041	4.5
94.04186	0.6
94.07840	0.6
95.04977	2.0
95.08610	6.8
96.70714	0.5
103.05459	1.2
107.04964	13.3
107.08595	1.4
109.06505	3.2
109.10162	27.7
117.07020	1.5
119.04957	5.8
119.08591	12.7
121.06519	6.1
122.07294	70.6
123.07635	1.3
135.08031	2.5
137.02513	0.8
137.05998	7.0
137.09624	100.0
138.09961	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.66396	0.8
53.03936	2.5
55.05499	4.5
57.07077	8.5
63.39365	1.0
65.03928	2.6
67.05508	32.5
69.07066	6.6
69.49821	5.6
69.50233	1.8
79.05497	9.7
81.03449	1.0
81.07062	76.3
82.07418	1.1
91.04978	1.5
91.05492	23.4
92.18899	1.0
93.07049	9.9
94.04173	3.9
95.04979	2.1
95.08612	100.0
98.20870	2.2
98.21469	2.2
107.04926	1.1
109.06503	2.4
109.10146	6.2
119.04974	7.1
119.08569	2.2
122.03655	9.5
137.05988	31.4
137.07047	1.7
137.09618	13.7
137.13255	13.5
150.57256	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03947	1.3
55.05510	6.0
57.07083	10.2
65.03941	2.4
66.15533	1.0
67.05172	1.7
67.05512	22.3
69.03395	1.1
69.07077	7.5
71.28332	1.9
76.93023	1.1
79.05503	8.5
81.07064	77.5
91.05489	17.0
92.05784	1.0
93.07030	5.4
94.04163	2.4
95.04964	1.7
95.08617	100.0
108.09420	1.2
109.06506	6.1
109.10172	9.0
117.88319	1.2
119.04965	7.1
119.08566	1.8
122.03683	1.6
122.07295	4.0
129.34503	1.0
137.02501	3.7
137.05971	15.9
137.09642	8.2
137.12309	1.8
137.13269	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	137.1327
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
52.19526	0.8
53.03946	1.4
55.05518	4.4
55.82428	0.9
57.07083	12.6
57.32943	0.8
63.21247	0.9
63.89523	0.9
64.34657	1.0
65.03942	1.1
67.05511	21.7
69.07069	7.4
70.98038	0.9
71.04483	1.1
71.89056	1.1
79.05493	8.9
81.07064	86.1
91.05484	12.7
93.07077	5.3
94.04163	1.6
95.08618	100.0
96.08984	1.4
106.59547	0.8
107.04964	1.6
109.06526	2.4
109.10162	10.0
119.04965	4.5
122.07280	4.7
137.02428	2.0
137.05991	10.4
137.09642	7.1
137.13268	19.9
156.39183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02369	0.9
53.00303	2.1
53.03939	3.2
55.05514	5.5
56.96570	4.3
60.85004	0.7
65.03918	1.1
68.02655	16.0
71.09925	1.9
79.01858	20.9
79.51894	0.8
81.03409	2.9
83.04985	46.9
85.02899	2.5
86.01714	0.8
86.06347	0.8
87.04465	1.9
88.82165	0.7
90.26968	0.8
98.97585	1.3
109.02885	8.4
111.04445	47.4
119.90003	0.7
139.03908	100.0
140.04266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1119
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03939	3.7
55.01872	7.9
55.05518	13.7
56.96572	100.0
57.03431	7.2
59.04997	8.9
65.03947	26.8
67.05496	7.6
69.03440	7.2
69.07075	39.7
69.61956	2.2
69.80232	15.3
71.04990	5.7
71.95265	3.6
79.05500	8.8
81.07055	7.6
83.04996	14.4
91.05490	6.8
93.03405	24.4
93.07066	21.9
95.04993	3.1
95.08620	26.4
97.06541	16.9
97.99207	3.8
98.97592	38.5
98.98252	3.9
98.98480	4.4
100.02477	3.2
105.07018	3.0
107.04417	3.6
110.03646	3.3
111.04458	41.0
111.08082	4.4
111.85859	2.8
116.04913	13.7
116.98640	14.7
121.02882	4.5
121.10149	17.7
125.05447	20.9
134.99664	2.5
139.03935	21.4
139.07526	8.0
139.11195	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	139.1119
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03935	4.4
55.01864	7.4
55.05512	16.2
56.96291	5.1
56.96571	100.0
57.03439	6.7
57.07076	3.0
57.48456	2.4
59.05001	4.5
65.03944	14.2
67.05495	12.3
69.03423	7.7
69.07071	51.0
69.87950	4.3
69.88372	10.8
71.04972	5.0
71.95255	2.9
79.05486	11.4
81.07056	12.6
81.40173	2.6
83.05001	18.2
91.05501	6.6
93.03397	15.2
93.07050	25.7
95.04973	4.5
95.08623	29.5
97.06541	17.6
97.07074	2.7
97.10130	3.6
97.99177	5.1
98.97595	48.7
98.98476	8.1
105.07026	5.1
106.86556	2.5
111.04446	28.2
111.08048	3.0
116.04897	7.0
116.98658	23.6
121.02824	3.9
121.10146	18.1
125.05428	8.5
126.75813	2.7
134.99681	3.1
139.03926	13.6
139.07541	12.0
139.11194	41.7
139.12236	4.7
151.02892	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	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03942	3.2
55.01867	14.7
55.05515	31.7
56.96569	100.0
57.03434	4.4
59.04996	9.6
65.03943	44.7
67.05501	13.9
69.03427	32.4
69.04546	4.4
69.07072	96.8
69.53727	13.2
71.05001	6.4
71.95274	3.1
79.05489	16.0
80.04988	3.0
81.07066	19.5
83.04983	25.7
85.02192	3.0
91.05480	10.2
93.03409	41.6
93.07046	34.8
95.04971	7.8
95.08061	3.1
95.08618	30.5
97.02880	3.2
97.06536	43.7
97.10179	3.6
98.97593	53.8
98.98477	17.6
105.07023	7.9
111.04449	92.8
111.08088	4.5
116.98621	36.2
121.02871	10.2
121.04015	2.9
121.06506	4.9
121.10159	24.0
134.99657	11.7
139.03941	25.4
139.04982	3.4
139.07596	19.7
139.08575	5.0
139.11203	45.0
139.12256	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	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03939	12.0
55.01876	15.8
55.05526	34.5
56.96569	59.9
57.03424	9.5
59.04997	19.9
65.03951	31.1
67.05501	24.4
68.99792	12.8
69.03429	36.3
69.07069	92.4
70.84756	15.5
71.04963	5.8
77.36840	4.9
79.05498	44.6
81.07057	93.0
82.01454	5.6
83.05003	30.6
83.08620	5.2
91.05492	23.2
93.03387	34.3
93.07050	90.8
94.07392	5.2
95.04964	12.5
95.08607	58.4
97.06540	100.0
98.54490	5.5
98.97587	16.7
98.98462	12.9
99.04517	8.0
99.54304	5.7
100.02491	13.1
101.02600	10.1
102.02224	14.0
104.28474	6.0
105.07044	26.0
107.08589	12.0
111.04458	65.7
111.08105	19.8
116.98659	8.6
119.08601	9.2
121.02861	7.2
121.10133	85.1
122.34150	5.2
132.05820	5.3
139.03955	33.1
139.04881	6.9
139.07556	16.8
139.11191	88.7
143.05551	5.3
147.29784	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	139.1119
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
52.51534	2.3
53.03931	3.7
55.01857	7.2
55.05501	14.5
56.96572	100.0
57.03431	5.1
59.04993	10.1
63.32851	2.4
65.03669	2.0
65.03947	19.3
67.05508	11.5
69.03428	10.8
69.06728	3.5
69.07076	58.0
69.33989	20.2
71.04992	4.2
79.05488	9.7
81.07050	11.7
83.04991	15.9
83.08625	3.0
87.42143	2.4
91.05485	4.5
93.03404	23.0
93.07048	22.3
95.04961	5.0
95.08611	23.1
97.06542	20.3
97.99191	3.6
98.97592	41.6
98.98464	6.7
105.07035	4.7
107.04375	2.9
109.10099	2.9
111.04445	52.3
111.08075	5.4
116.04901	11.1
116.55118	2.9
116.98650	14.8
121.02941	5.0
121.10149	15.6
125.05441	8.6
134.99643	3.3
136.84018	2.2
139.03975	17.3
139.04955	4.9
139.07530	7.4
139.11211	38.9
144.90160	2.6
149.09621	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	141.0548
Annotation	2,4,6-Trihydroxytoluene
Peak:m/z	Relative Intensity
52.15828	0.9
53.03948	1.8
55.01876	2.2
55.05521	2.0
56.41526	1.1
56.96561	2.7
57.03434	1.0
57.17304	1.1
66.49075	0.9
67.05497	4.0
68.99797	13.4
69.03422	1.1
70.74225	2.2
70.74560	1.8
71.04984	2.3
79.05504	2.1
80.02637	1.0
81.03429	1.3
81.07066	8.7
85.02920	2.8
85.06535	1.2
85.36789	0.9
95.04969	2.8
95.08602	5.2
97.02907	2.0
98.03699	8.8
98.97594	2.5
99.97931	1.3
109.02888	3.4
111.00818	96.1
112.01158	1.0
113.02375	2.7
113.06016	1.9
123.04417	1.4
123.08068	1.4
126.03146	74.1
127.03452	2.2
141.01881	7.9
141.05479	100.0
142.05733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0548
Annotation	2,4,6-Trihydroxytoluene
Peak:m/z	Relative Intensity
53.03946	1.5
53.14704	1.3
54.25986	1.4
55.01871	2.4
55.05503	5.4
56.96571	8.4
60.28638	1.3
64.88834	1.4
65.03943	7.1
67.05508	48.9
68.02632	1.4
68.99788	13.7
69.07071	6.1
69.25082	1.4
70.94206	1.6
70.94563	2.6
71.01353	5.4
71.04995	47.2
79.05502	4.0
81.03409	3.8
81.07058	22.0
85.02921	3.3
85.06546	3.6
90.01509	1.6
95.01311	1.7
95.04969	25.1
95.08611	14.3
97.02911	3.3
97.06533	5.0
98.03683	9.7
98.97590	5.5
99.97916	5.8
105.07043	1.5
109.02891	6.6
111.00809	96.0
113.02371	6.2
113.06024	7.0
116.98553	1.6
117.98988	2.3
123.08051	4.1
126.03139	77.3
141.01851	11.3
141.05472	100.0
142.05885	2.8
157.14674	1.4
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
51.64968	4.9
51.80863	5.1
71.07182	11.1
71.99050	5.0
87.91915	6.0
101.00887	59.8
114.15878	5.2
115.62769	5.6
119.01144	8.6
119.01925	100.0
124.02515	12.0
137.02968	15.2
142.03500	57.4
151.66914	6.2
160.04559	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90696	5.5
57.44192	5.4
65.23925	5.7
71.32584	13.2
98.16167	6.5
101.00893	58.3
119.01937	100.0
134.35738	5.9
137.02943	15.4
142.03494	62.7
160.04552	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	7.7
69.65031	23.2
75.40652	4.2
82.99839	8.6
98.97549	4.1
101.00890	63.9
119.01929	100.0
123.43348	4.8
137.02972	20.7
142.03497	45.1
143.03394	5.3
160.04506	5.9
161.02835	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	143.0704
Annotation	Dihydrosarkomycin
Peak:m/z	Relative Intensity
53.03951	1.4
55.01871	4.0
55.05295	1.2
55.05517	13.1
57.07079	6.9
59.05005	1.8
65.65567	1.4
67.05512	8.7
69.03432	8.3
69.07074	51.0
69.35411	9.7
71.04999	42.1
73.06565	9.0
79.05492	18.2
79.52624	1.3
81.03410	2.0
81.07051	4.2
83.04987	100.0
83.08626	5.4
84.05312	1.6
85.06547	19.4
97.02902	28.4
97.06539	58.2
97.10165	5.4
101.05996	1.8
107.08602	12.9
119.01963	1.5
125.02362	41.8
125.05161	2.5
125.06006	26.5
125.06869	0.9
125.09667	8.5
128.06223	7.7
132.11594	1.2
143.03413	71.9
143.08586	5.6
143.10698	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	143.0704
Annotation	Dihydrosarkomycin
Peak:m/z	Relative Intensity
53.03933	3.0
54.09440	2.0
55.01865	4.0
55.05511	10.4
58.49778	1.8
60.17714	1.8
67.05510	3.8
69.03432	5.2
69.07072	54.2
71.01327	2.3
71.05035	1.8
71.57236	3.4
73.06560	6.6
78.51353	1.7
79.05510	15.8
81.03442	2.3
81.07063	3.6
83.04989	100.0
89.52116	1.8
97.02906	28.5
97.05914	3.3
97.06538	62.9
101.06051	2.0
107.04958	2.8
121.60637	1.7
125.02353	35.2
125.05997	26.9
128.06264	7.6
138.76689	1.5
143.03418	77.7
143.08537	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	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01864	7.7
55.05515	100.0
67.05482	5.7
67.12303	1.9
69.03436	13.7
69.07054	10.5
70.70908	1.9
70.89764	2.9
71.04993	2.5
79.05501	10.8
81.07055	14.8
82.62569	1.8
83.04980	3.8
83.08629	39.8
97.02894	24.7
97.10181	52.1
98.06060	1.9
107.08598	7.8
125.02370	40.8
125.09659	12.0
128.06221	3.7
141.11122	2.0
143.03409	79.0
156.67532	1.8
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
54.58274	1.4
55.01865	3.2
55.05512	16.1
55.56225	1.2
57.07071	12.4
59.04986	3.9
63.77098	1.2
65.50996	1.1
67.05506	9.3
69.03438	14.0
69.07056	2.0
70.06009	5.9
70.06565	1.4
71.01356	1.7
71.04997	82.4
71.20855	1.2
73.06557	10.7
79.05490	5.1
81.07034	3.3
83.04986	6.4
83.08618	8.1
84.08167	1.5
85.02859	1.5
85.06067	2.5
85.06548	35.4
91.05486	1.7
97.02290	1.4
97.02898	27.0
97.06532	1.3
97.10178	13.1
98.06015	1.7
105.07066	2.1
107.08595	29.7
115.05500	1.4
115.38898	1.7
125.02361	41.0
125.09642	20.0
128.06224	4.7
143.03403	100.0
143.08482	1.7
143.10666	6.6
144.06593	1.5
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
53.72783	1.1
55.01855	2.5
55.05526	7.2
57.07072	5.7
59.87128	1.0
63.41279	1.2
67.05504	4.4
68.78778	1.1
69.03438	13.0
69.07070	1.6
69.21107	11.7
70.06603	1.4
71.05000	40.4
73.06551	3.8
77.65133	1.1
79.05506	2.4
81.05339	1.2
81.07037	2.1
83.04969	5.6
83.08618	4.6
84.08147	1.7
85.02852	1.4
85.06543	21.1
91.05457	1.3
97.02905	17.0
97.06503	1.9
97.10229	5.4
98.06075	3.2
107.08600	16.2
115.05461	3.3
119.02032	1.4
125.02361	22.7
125.09663	8.4
128.06221	4.2
132.62784	1.4
143.03412	100.0
143.10683	2.0
144.06590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
55.05519	8.6
57.07067	7.2
59.04992	2.0
67.05496	4.6
69.03440	13.0
69.07056	2.2
70.06599	2.6
71.04997	45.7
71.58074	1.8
73.06549	3.9
79.05480	3.7
81.07050	2.4
83.04977	6.2
83.08627	4.1
84.08145	2.9
85.02887	1.5
85.06084	1.7
85.06554	23.4
91.05516	1.4
92.88860	1.2
93.47307	1.2
97.02903	19.0
97.06526	2.3
97.10171	5.7
98.06055	4.2
107.08600	18.5
115.05463	4.4
125.02362	25.9
125.09652	9.6
128.06247	6.1
143.03401	100.0
143.08499	2.8
143.10649	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
55.05525	8.2
57.07085	8.4
58.39501	1.3
59.05002	3.1
67.05504	5.2
67.83034	1.1
69.03439	12.6
69.07073	2.6
70.92335	1.1
71.01375	2.0
71.05001	50.8
71.58883	1.0
71.59285	2.2
73.06551	7.1
79.05493	3.1
81.07062	1.6
83.05001	7.4
83.08615	4.3
83.41611	1.3
85.06554	23.1
97.02896	16.5
97.06551	1.4
97.10181	8.4
98.06065	2.0
107.08608	19.9
115.05461	2.9
125.02368	22.7
125.09634	13.7
128.06229	5.2
143.03409	100.0
143.08531	2.8
143.10719	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14190	2.0
52.61143	1.8
55.01859	3.7
55.05514	16.2
57.07079	12.5
59.05000	4.2
67.05492	7.7
69.03435	16.7
69.07062	5.1
69.73844	12.8
71.04996	76.8
73.06554	9.4
79.05491	3.5
83.04973	11.8
83.08607	5.7
85.06541	32.9
87.41579	2.0
91.05486	2.1
92.85697	2.1
97.02896	20.5
97.10183	12.6
98.06071	3.2
107.08597	28.1
115.05463	4.0
125.02352	20.9
125.09628	19.7
128.06215	4.4
143.03403	100.0
143.08575	3.3
143.10663	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	144.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
56.96572	2.7
57.03441	10.6
57.11520	2.1
58.06594	8.3
60.01388	3.6
60.04521	4.3
60.08157	2.7
61.02930	11.8
69.01939	3.0
69.03450	15.7
69.99763	9.7
70.06588	4.7
71.52180	5.1
72.52984	3.5
73.02917	5.2
76.03889	1.9
77.52171	5.3
78.52969	11.9
79.03001	2.2
79.92187	2.6
80.02937	3.7
80.52697	9.8
81.01908	10.8
81.03403	2.3
81.51949	2.1
82.01439	9.9
83.04976	2.8
83.52189	5.1
84.08151	61.8
85.02150	3.8
85.02922	16.6
86.03802	2.3
86.09720	3.1
86.52721	16.1
88.02689	2.3
90.02438	3.9
91.53734	8.0
92.52704	13.8
93.02763	2.9
94.02692	15.0
96.53001	2.4
97.02959	2.9
98.07222	2.1
98.09703	29.6
99.02892	2.4
99.04480	3.5
99.53468	4.4
100.02499	14.3
101.00884	19.2
101.02579	2.2
101.53223	31.9
102.00974	9.8
102.02249	3.3
102.03326	6.3
103.00623	2.4
103.03214	14.9
105.53463	8.5
109.02893	2.4
110.53738	18.9
111.85577	2.1
112.03712	23.6
112.53800	3.1
113.00846	3.8
114.53077	3.3
114.53983	8.6
118.03521	7.3
119.01942	18.3
120.02013	14.9
121.01662	5.0
121.04243	20.9
121.54315	2.9
122.35123	2.1
123.03888	3.7
123.53655	2.5
123.54508	8.6
124.02445	3.6
126.03960	2.1
131.01941	9.1
138.03049	2.3
142.03525	11.1
143.01938	13.7
143.03667	3.5
144.02077	5.1
144.03282	3.6
144.06577	6.6
144.10216	100.0
144.13838	5.7
145.03467	3.7
154.03554	3.8
157.03410	2.6
161.02927	10.8
162.03149	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
53.05890	0.7
55.01861	2.6
57.03434	2.5
62.65402	0.8
62.92978	1.5
67.05505	1.5
69.03426	2.4
71.01359	2.7
71.05000	13.5
71.56485	1.7
79.05504	2.1
81.03432	5.1
81.14314	0.8
85.02917	7.3
88.43526	1.0
89.03933	4.2
91.05490	16.4
93.43670	0.9
97.02909	1.5
99.04465	41.7
100.04783	1.0
100.07620	2.6
103.05475	2.9
105.07040	45.6
115.03960	0.8
115.05450	9.6
116.06232	2.4
117.03377	2.9
117.07030	37.2
118.06565	6.3
121.96672	7.2
127.03934	11.6
128.06218	3.1
129.07068	4.7
130.07803	29.8
143.08553	5.9
145.05077	5.1
145.06497	16.5
145.10136	100.0
146.06027	1.5
146.08115	1.2
146.10515	1.5
155.06029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
53.05890	0.7
55.01861	2.6
57.03434	2.5
62.65402	0.8
62.92978	1.5
67.05505	1.5
69.03426	2.4
71.01359	2.7
71.05000	13.5
71.56485	1.7
79.05504	2.1
81.03432	5.1
81.14314	0.8
85.02917	7.3
88.43526	1.0
89.03933	4.2
91.05490	16.4
93.43670	0.9
97.02909	1.5
99.04465	41.7
100.04783	1.0
100.07620	2.6
103.05475	2.9
105.07040	45.6
115.03960	0.8
115.05450	9.6
116.06232	2.4
117.03377	2.9
117.07030	37.2
118.06565	6.3
121.96672	7.2
127.03934	11.6
128.06218	3.1
129.07068	4.7
130.07803	29.8
143.08553	5.9
145.05077	5.1
145.06497	16.5
145.10136	100.0
146.06027	1.5
146.08115	1.2
146.10515	1.5
155.06029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.61130	0.7
55.01865	0.9
62.92985	1.6
69.03419	0.8
69.47068	4.3
71.01366	0.8
71.05001	6.8
73.36813	0.6
78.82742	0.6
79.05487	1.2
81.03419	2.5
85.02919	3.9
87.00811	0.9
91.05486	12.1
97.02890	0.7
98.21061	2.5
99.04465	20.2
100.07624	1.4
103.05477	1.7
105.07039	46.6
115.05461	7.8
116.06256	1.7
117.07036	20.1
118.06572	3.5
121.96649	3.3
127.03931	4.5
128.06268	3.8
128.40433	0.7
129.07025	5.6
130.07806	26.4
143.08568	5.9
145.03873	0.7
145.04965	2.1
145.06502	21.9
145.10133	100.0
146.05966	0.8
146.10484	1.0
151.74051	0.6
155.06038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
56.03613	0.6
56.96561	1.1
65.03948	0.6
65.62336	0.5
69.03430	1.6
69.63979	0.6
71.36128	1.3
82.06583	1.2
84.04488	0.6
91.05486	19.0
99.04464	0.9
100.04815	1.4
100.07607	2.5
117.05792	4.8
118.06552	100.0
119.04932	2.5
119.06879	2.0
128.05013	7.1
146.06020	34.5
146.07985	1.3
147.04453	1.5
147.06348	0.8
155.39610	0.7
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
55.19066	0.3
55.95367	0.3
65.03954	0.9
69.86777	1.7
82.31369	0.4
85.75429	0.3
91.05490	20.9
92.05770	0.4
98.20830	0.4
100.07644	0.8
117.05788	3.3
118.06554	100.0
119.04955	7.5
119.06886	1.8
146.06023	18.0
147.04410	3.9
147.06261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.05494	3.8
56.96570	100.0
58.16751	1.0
59.04992	0.9
60.13527	0.9
60.61554	1.1
61.28636	1.1
64.61632	1.1
65.03938	2.9
67.05499	2.7
69.03426	2.1
69.07054	3.9
69.83386	1.1
70.20381	1.0
70.73336	1.6
70.73649	1.5
71.04990	1.8
71.49725	1.0
71.95264	2.1
72.05335	1.3
74.97617	5.1
79.05500	22.8
80.05838	1.3
80.06275	1.9
81.01013	1.2
81.07062	72.5
82.01821	2.1
82.06577	4.7
82.07384	4.2
83.02589	4.3
85.02365	1.3
85.02933	1.4
86.02054	2.0
87.52618	2.3
89.02599	16.1
91.02336	3.0
91.05489	27.5
91.52891	1.2
92.03101	3.2
92.98637	1.5
93.02863	2.1
93.07056	24.4
95.02592	11.8
95.04945	1.5
95.08614	2.3
95.52734	1.3
97.52859	1.7
97.99206	13.4
98.03118	9.1
98.68115	1.0
100.04792	3.4
100.07635	11.3
100.53365	2.0
101.52365	1.3
102.03372	1.5
104.03119	8.5
105.04627	4.7
105.07022	2.9
106.53374	4.2
107.08601	19.4
109.53901	4.0
111.03870	1.6
111.54439	1.6
112.67704	1.1
113.03587	1.2
113.54128	1.4
114.05176	27.1
114.55355	1.8
115.00691	1.1
115.53880	4.5
116.00219	3.6
116.55421	1.7
117.05697	1.2
118.06562	5.7
118.07289	1.8
119.04959	24.6
119.08569	2.0
123.05693	32.7
123.55834	1.9
125.55965	6.3
127.00674	3.0
129.02251	31.4
132.06221	7.0
133.01651	1.1
134.56493	6.5
135.11687	2.8
136.81145	1.0
141.02238	1.2
143.55466	1.0
143.56979	1.3
145.01747	1.5
146.05998	4.9
146.08099	6.1
147.03284	28.2
147.04410	14.3
147.06464	1.3
147.08017	1.1
147.11722	1.7
153.02290	1.3
159.03302	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0926
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
52.51151	0.8
55.05513	7.0
56.05023	1.6
56.96575	0.8
57.03445	1.0
59.04975	1.3
59.37350	0.9
60.05369	1.5
60.05654	22.2
61.02917	1.0
68.05038	1.2
69.03437	11.9
69.60455	0.8
71.04985	1.6
71.57294	1.4
71.57629	0.9
72.08128	1.1
73.02872	1.1
80.20944	0.7
82.06583	1.7
83.04991	4.7
83.06097	2.6
84.04503	1.9
84.08150	8.1
85.02895	2.3
86.06073	70.4
87.04474	100.0
88.04808	1.0
98.97589	1.1
99.04447	1.8
100.07629	4.9
101.06055	4.9
103.03976	1.4
104.07114	16.2
110.97574	1.4
111.04429	1.1
111.05563	9.3
119.04913	0.9
128.08200	11.6
128.10748	1.3
129.06636	2.6
130.05037	1.2
130.08627	1.2
146.08234	3.4
146.09251	74.0
146.11700	7.1
147.05116	1.0
147.06540	1.5
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
65.03944	5.5
65.13442	0.6
65.95727	0.6
69.00150	0.6
69.03423	1.2
69.51183	4.4
69.51488	0.5
83.04997	0.6
85.02894	0.8
91.05489	76.0
92.05832	1.1
95.05019	0.7
96.52991	0.6
98.21480	1.1
105.07056	2.4
119.04951	100.0
119.08594	2.3
120.05302	1.3
147.04425	57.6
147.11687	4.1
148.04739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03946	1.1
55.05500	1.9
57.03431	1.1
64.92811	4.9
65.03944	8.3
69.03429	8.5
69.45951	1.1
69.46352	4.3
71.04995	1.5
81.03432	1.0
83.04970	3.3
83.06905	1.0
85.02911	5.4
91.05487	86.7
92.05814	1.5
101.07939	3.4
103.03946	2.9
103.05512	1.0
105.07040	6.7
107.08577	0.7
116.06320	0.7
117.07012	1.5
119.04950	100.0
119.08585	9.2
120.04481	0.7
120.05248	1.5
123.96455	7.4
142.25781	0.8
146.98064	2.1
147.04427	55.6
147.05452	2.8
147.06493	2.9
147.08189	2.1
147.11688	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.05507	0.8
59.00867	0.4
60.20560	0.4
61.02946	0.5
64.92802	0.5
65.03945	8.4
69.03436	2.9
69.28780	2.5
69.29190	0.9
83.05000	0.8
85.02914	1.3
91.05486	79.6
92.05819	1.3
98.21268	1.6
103.03932	1.0
105.07031	3.0
107.08582	0.3
108.19451	0.4
117.07036	0.6
119.04949	100.0
119.08572	4.7
120.05276	1.6
123.96458	1.2
135.57588	0.4
136.31784	0.3
147.04417	58.2
147.08098	1.5
147.11700	6.6
148.04768	0.7
167.36107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05527	0.8
64.92819	2.9
65.03945	6.6
65.09458	0.6
67.86180	0.6
69.03434	7.1
71.00710	1.3
71.05002	0.9
73.02931	0.8
83.04977	2.1
85.02904	3.7
91.05487	80.8
92.05825	1.1
101.07967	0.8
103.03943	2.0
105.07047	2.9
111.04493	0.7
119.04951	100.0
119.08585	4.0
120.05293	1.9
120.80486	0.7
123.96476	5.7
147.04424	57.9
147.06453	2.3
147.11688	2.7
148.04707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05511	0.6
65.03946	7.5
69.03439	4.0
71.54466	0.6
81.03401	0.7
83.05002	1.4
85.02899	2.4
91.05486	86.5
92.05821	1.5
93.74277	0.6
99.04465	0.7
103.03925	1.3
105.07032	2.4
111.04493	0.7
117.07070	0.9
119.04952	100.0
119.08578	4.4
120.05273	2.0
120.32210	0.5
129.06876	0.6
145.10114	0.6
147.04424	56.1
147.11678	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.8
65.03939	7.4
69.03436	4.9
69.07052	1.7
70.84708	1.4
79.05493	1.1
79.30773	0.6
83.04999	1.5
85.02911	2.7
89.52739	0.7
91.05486	85.7
92.05798	1.5
103.03934	1.5
105.07024	6.4
108.62677	0.7
117.07032	0.8
119.04952	100.0
119.08590	8.4
120.05281	1.2
147.04420	53.4
147.11688	5.3
148.04774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03941	0.9
55.05507	1.6
57.66817	0.8
61.02961	0.7
61.66792	0.8
65.03939	7.0
68.98830	0.7
69.03433	5.9
70.03365	0.7
70.62659	1.5
77.40221	0.8
79.04081	0.9
83.04984	2.2
84.13603	0.7
85.02911	2.3
90.41770	0.7
91.05487	100.0
92.05820	1.0
103.03949	1.6
103.05471	3.1
105.07025	7.4
109.06531	1.2
117.07037	1.2
119.04951	92.1
119.08578	7.7
120.05273	2.9
123.96484	1.7
129.16261	0.9
140.68726	0.8
147.04422	60.6
147.08084	5.1
147.11711	5.9
148.04752	1.4
157.98868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03941	6.0
69.33308	6.2
73.52583	0.7
91.05486	81.2
92.05830	1.5
98.20781	1.3
104.27415	0.8
105.07043	1.3
108.39132	0.7
116.06325	0.6
119.04949	100.0
119.06776	2.0
119.08604	2.0
120.05291	1.3
126.22985	0.7
147.04417	57.3
147.11646	1.6
150.97510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	7.6
67.30486	0.6
69.03423	1.4
69.27655	4.0
69.28079	1.7
75.32847	0.6
91.05487	77.8
92.05817	1.4
100.45599	0.6
105.07058	3.1
117.07028	1.1
119.04948	100.0
119.08609	4.3
120.05272	1.7
123.96505	0.6
145.10170	0.7
147.04420	55.2
147.11685	15.0
148.04782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	6.4
71.27557	1.1
84.73047	0.5
91.05484	73.2
92.05832	1.0
96.20744	0.5
98.55564	0.6
110.79320	0.5
119.04947	100.0
120.05305	1.9
120.99433	0.5
133.50929	0.6
147.04416	57.4
148.04871	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.72478	0.8
55.05512	0.9
57.04435	0.9
61.63332	0.7
65.03947	8.0
69.03431	2.7
71.48328	1.3
83.04967	0.7
85.02905	1.8
91.05489	79.8
92.05833	1.4
105.07027	2.6
119.04954	100.0
119.08594	3.1
120.05299	1.9
123.96514	1.2
147.04424	59.2
147.08057	1.4
147.11687	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	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03951	0.7
54.38890	0.7
55.01870	1.3
55.05507	1.9
56.96564	3.3
57.03440	1.9
61.02923	0.9
62.15240	0.6
63.21280	0.7
64.92767	0.7
65.03940	5.4
69.03430	9.9
71.04997	1.9
71.30164	1.2
73.02918	0.8
79.05485	1.4
79.53664	0.6
81.03447	1.1
81.07066	1.2
83.04985	3.4
84.04490	1.1
85.02905	4.4
91.05484	90.0
92.05814	1.6
93.07059	1.1
95.04985	0.8
103.03899	3.1
103.05482	1.1
105.07039	10.6
105.07680	1.1
107.08598	1.5
111.04420	1.0
117.07009	2.1
119.04947	100.0
119.08586	11.8
120.05251	1.3
123.96466	1.1
124.97874	0.6
129.07072	0.9
147.04417	54.8
147.06479	3.9
147.08040	5.7
147.09126	1.1
147.11694	9.4
148.04761	0.8
164.65834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25343	0.7
53.06062	0.8
53.86898	0.7
58.77284	0.6
60.33552	0.6
65.03945	6.8
69.03436	1.8
71.17234	1.7
72.23559	0.8
91.05489	83.1
92.05817	0.8
99.50385	0.7
100.57928	0.7
105.07030	1.4
107.08618	1.0
119.04951	100.0
119.08591	3.3
120.05270	2.2
147.04419	61.9
147.11697	2.0
148.04744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0653
Annotation	3-Hydroxy-5-oxohexanoate
Peak:m/z	Relative Intensity
53.03942	4.1
54.60705	0.8
55.01880	8.3
55.05515	13.1
56.05025	3.2
57.03439	12.7
59.04981	1.3
60.05645	3.8
61.02931	12.3
65.03925	1.4
67.05502	1.3
69.03435	100.0
70.03760	2.7
70.06593	5.1
70.78329	1.0
70.84645	2.5
71.05001	21.8
73.02919	10.9
75.04478	2.0
81.03407	6.5
83.04990	31.6
84.04510	74.4
84.08147	27.9
85.02911	48.4
85.06599	1.0
86.06068	3.3
87.04478	12.6
87.06394	6.5
88.03967	1.2
88.04806	11.6
88.07635	2.5
91.05486	7.8
94.52426	1.5
98.20962	1.0
99.04478	5.2
100.52423	1.9
101.01744	5.7
101.02351	0.9
101.07146	1.8
102.05557	4.4
103.03950	30.1
103.05442	1.0
104.07130	1.3
105.07458	1.1
111.04449	9.3
119.04956	10.9
124.52017	0.9
129.05461	4.8
129.08542	1.4
130.05023	28.2
130.08636	3.8
130.09775	3.6
146.03020	1.3
147.04445	4.1
147.06538	33.0
147.07707	2.0
147.09650	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	147.0654
Annotation	3-Hydroxy-5-oxohexanoate
Peak:m/z	Relative Intensity
53.03945	6.1
55.01881	8.1
55.05512	13.0
56.05018	1.3
56.96561	4.1
57.03440	13.9
58.17306	1.3
61.02930	14.6
65.03936	3.9
69.03436	100.0
70.06590	4.8
70.93866	3.7
71.04998	20.8
73.02914	10.1
76.42064	1.4
81.03442	8.6
83.04990	30.4
84.04511	28.4
84.08145	13.7
85.02912	48.1
87.04461	4.3
90.50156	1.5
91.05487	21.3
99.04456	5.2
102.05544	1.6
103.03956	30.4
111.04452	12.9
119.01935	2.4
119.04948	17.3
123.96472	4.5
129.05473	3.6
130.05014	7.3
130.08667	3.0
130.09723	2.3
143.01883	1.6
147.04427	13.3
147.06534	34.1
147.07698	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03967	1.0
55.01863	0.8
55.05514	4.5
61.02927	1.5
64.92809	4.6
65.03935	2.2
69.03435	8.6
69.88549	3.7
71.04991	1.3
78.49158	0.7
79.05492	2.7
83.04970	1.9
83.06908	1.3
83.71598	0.8
85.02919	4.3
85.86432	0.7
91.05489	31.1
97.93259	0.7
100.07617	0.9
101.07967	2.4
103.03967	2.8
105.07040	20.5
107.08612	4.7
111.04463	1.7
116.06262	1.3
117.00446	0.7
117.07024	10.7
119.04108	1.1
119.04960	22.7
119.08590	30.9
123.96456	8.0
129.06995	0.8
130.07866	0.7
131.08588	1.5
131.35068	0.7
132.09372	5.1
145.10149	2.9
146.98065	0.9
147.04437	13.1
147.05495	1.5
147.06523	3.3
147.11702	100.0
148.11989	1.9
162.70421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
53.54112	1.0
55.05504	5.2
56.96552	1.9
57.03437	1.8
64.92809	2.0
65.03944	8.5
67.05487	2.2
67.65108	0.9
69.03429	8.9
69.23280	1.1
71.04974	2.6
71.57584	1.2
73.30997	1.0
75.69147	1.1
80.87534	1.0
82.54827	1.0
83.04982	2.2
84.08047	0.8
85.02909	4.5
91.05488	87.8
103.03931	3.9
103.05454	2.3
105.07037	22.1
107.08558	2.8
111.04416	1.5
116.06239	1.3
117.07008	6.2
119.04952	100.0
119.06841	3.2
119.08589	27.8
120.05298	1.6
122.99422	1.0
123.96468	3.5
132.09370	4.9
140.60910	0.9
145.10135	2.5
147.04425	64.2
147.06448	4.6
147.08118	4.3
147.11697	76.5
148.12108	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.61940	0.6
53.03927	0.8
55.05513	2.4
57.03429	0.7
65.03951	3.1
69.03439	4.2
69.75214	1.3
69.75626	1.8
71.04996	1.0
77.16605	0.6
79.05491	2.0
80.02856	0.5
83.04988	1.6
85.02919	1.8
91.05490	44.8
92.05825	0.8
93.07047	1.5
103.03950	1.8
103.05498	1.1
104.06276	0.6
105.07042	17.1
107.08602	3.1
115.05446	1.0
116.06264	1.0
117.07021	8.0
119.04954	40.8
119.06809	1.4
119.08590	27.6
120.05328	0.8
121.10146	0.8
123.96497	0.7
129.07022	1.0
130.07727	0.7
131.08568	1.2
132.09358	5.5
135.70973	0.7
135.79713	0.6
145.10147	1.9
147.04436	24.1
147.06467	1.7
147.08064	1.6
147.11703	100.0
148.12041	1.9
161.87151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63053	0.6
53.03944	1.3
55.01873	1.1
55.05513	2.0
56.05026	0.7
56.47468	0.5
56.96319	0.4
56.96564	22.5
65.03946	12.0
67.05511	5.0
69.03431	25.1
69.07073	3.0
70.03780	0.7
71.46194	0.9
71.95287	0.6
79.05501	2.1
82.06583	1.3
83.04975	2.1
83.08626	0.6
84.08149	14.3
85.05322	0.6
91.05457	3.6
93.02898	0.7
93.03420	2.6
93.07044	3.5
94.06575	9.6
94.56583	0.6
95.04993	0.6
98.03730	0.6
100.02505	1.2
100.99154	1.4
102.03373	2.6
102.87424	0.6
103.05453	3.7
105.07017	0.7
106.06551	2.5
107.04961	1.1
108.04444	0.8
109.99154	1.5
111.03867	1.9
111.04524	3.9
111.14828	0.6
111.53649	1.0
112.07610	100.0
113.07945	4.1
115.04033	0.7
119.00214	1.5
121.02873	19.5
121.03973	5.8
121.06493	3.8
122.06009	4.5
123.53616	0.9
124.04657	1.9
128.00250	1.0
130.08646	47.7
131.04945	3.3
131.08966	1.5
138.02290	0.9
141.97002	0.9
149.02350	46.5
149.05984	6.1
149.07104	1.0
149.09601	1.9
150.02669	0.8
150.05510	11.0
156.03323	65.4
157.03673	2.1
158.06534	4.2
168.03342	7.8
168.06528	1.6
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
53.03936	4.6
55.01870	2.5
55.05501	2.0
65.03944	15.3
66.71965	1.1
67.31532	1.0
69.03421	4.0
69.61694	2.8
69.62102	4.7
77.03924	1.4
78.04700	1.6
78.62444	1.0
79.05492	14.3
89.03940	9.9
91.05487	51.8
93.03403	9.4
93.07047	20.5
95.04969	3.1
103.05502	6.7
105.07039	39.4
106.07858	2.5
107.04984	1.5
107.08628	3.6
109.06506	4.4
115.05473	9.0
116.06245	21.5
117.03371	4.8
119.08598	6.7
121.02888	18.6
121.03883	2.5
121.06508	19.4
121.10145	40.0
121.15737	1.3
123.08093	3.8
129.07010	7.1
131.08575	30.4
133.06535	1.3
133.07631	3.6
134.03650	1.4
134.07256	4.4
141.59334	1.1
147.08035	3.2
149.02344	20.1
149.05989	12.6
149.09628	100.0
150.09998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03940	3.1
54.58268	1.0
55.01865	1.7
55.05510	2.1
56.96578	1.2
61.49975	0.9
65.03947	27.9
65.92384	1.1
67.05504	2.4
69.03413	2.9
69.07055	1.7
69.73103	1.1
70.61613	0.9
71.46908	0.9
71.58038	1.4
78.90774	1.1
79.05500	14.5
79.29098	0.9
80.54793	1.0
81.07060	7.7
83.04947	0.9
83.08627	1.4
89.38708	1.0
91.05482	17.0
93.03392	5.3
93.06469	1.9
93.07053	36.7
93.55183	0.9
95.04980	2.9
98.03687	1.5
103.05487	5.0
105.07034	20.2
107.04954	1.9
107.08608	12.4
108.04448	1.5
109.06516	1.2
111.04459	3.5
115.05464	1.5
116.06229	2.1
119.08575	3.9
121.02874	36.6
121.03975	8.1
121.06503	3.9
121.10147	22.0
123.08029	1.7
129.06917	1.0
131.04936	2.0
131.08557	6.2
133.06519	1.8
133.07530	1.3
134.07277	3.5
149.02354	85.8
149.06003	3.8
149.09631	100.0
149.13246	7.0
150.09950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03942	3.6
55.01880	17.6
56.11895	1.0
65.03935	6.9
65.99277	0.9
67.05502	1.2
69.03421	3.9
70.79128	2.8
77.03907	1.6
79.05495	20.7
81.07049	1.1
89.03913	3.1
91.05493	33.2
93.03408	2.7
93.07052	36.0
95.04954	3.5
103.05497	5.6
105.04576	1.2
105.07035	26.4
106.07820	2.6
107.04944	4.0
107.08614	8.0
109.06548	3.1
115.05443	3.1
116.06258	10.0
117.03386	3.4
119.08589	4.2
121.02871	10.4
121.03960	2.6
121.06509	12.2
121.10159	25.6
123.08055	1.6
129.07005	4.5
131.05013	1.1
131.08574	19.6
133.07646	1.6
134.07260	2.4
147.08069	2.7
149.02361	20.3
149.03517	1.9
149.06039	8.6
149.09631	100.0
150.09969	2.3
162.49892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.45579	0.7
53.03936	1.6
55.01863	2.6
55.05524	5.1
56.96561	1.1
58.10914	0.9
65.03944	32.7
67.05508	11.0
69.07069	6.8
79.05496	17.9
81.07063	30.1
83.08617	1.7
89.03881	0.8
91.05491	8.5
93.03409	9.1
93.07050	39.5
94.07357	1.1
95.04984	2.2
95.08630	5.6
98.03674	2.3
103.05451	2.9
105.07029	3.4
107.04964	1.6
107.07875	1.5
107.08601	26.9
108.04464	1.9
109.06498	0.9
111.04465	4.7
114.40675	0.8
117.03381	1.1
121.02870	39.9
121.03976	10.9
121.06502	3.4
121.10143	12.2
131.04942	2.4
131.08580	1.3
139.18791	0.9
140.46539	0.8
149.02351	100.0
149.05966	6.1
149.09682	4.8
149.13274	27.4
150.02715	2.1
150.05489	0.9
154.66411	0.9
155.39992	0.8
167.03371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
51.02377	1.0
53.03932	3.3
55.01881	2.5
55.05529	6.3
56.96562	1.0
57.35736	1.0
65.03949	26.8
67.05506	5.2
69.07074	11.6
71.17892	2.8
79.05499	21.1
80.02660	1.2
81.07063	20.5
84.01922	1.0
91.05486	14.4
93.03410	7.1
93.07051	57.8
95.04955	3.1
95.08616	4.5
96.99410	1.2
103.05484	2.6
105.03400	4.1
105.04517	1.9
105.07028	6.6
107.04951	8.1
107.08602	44.0
108.04479	3.6
111.04459	4.2
119.08605	1.8
121.02874	44.7
121.03985	13.1
121.06492	3.3
121.10155	23.4
126.05521	1.7
131.04948	1.6
131.08607	2.9
149.02357	100.0
149.05984	4.7
149.07089	2.2
149.09648	10.7
149.13271	33.8
150.02806	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03944	3.3
53.43932	2.0
55.05491	3.5
64.37844	1.8
65.03948	23.3
67.05511	2.9
69.07073	10.2
69.47745	3.0
69.48158	9.5
79.05507	11.1
81.07062	16.4
91.05503	10.6
93.03394	5.7
93.07053	47.1
95.08601	3.8
105.07054	3.5
107.08603	26.4
108.04494	1.9
111.04425	3.2
121.02872	39.2
121.03970	11.5
121.10172	15.5
140.65530	1.9
149.02350	100.0
149.05948	3.2
149.09647	2.6
149.13281	21.7
150.09126	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03939	6.3
55.01869	3.0
55.05502	5.6
57.07069	2.2
57.26987	1.7
65.03611	2.0
65.03946	38.9
67.05509	2.2
69.07063	6.4
70.63396	1.5
78.04707	3.9
79.05499	15.7
81.07048	7.0
85.88711	1.7
89.03914	12.7
91.05489	21.4
91.06030	2.9
92.06271	2.1
93.03413	8.2
93.07057	26.8
95.04969	5.1
95.08669	2.4
102.85243	1.7
103.05478	15.2
105.03408	1.9
105.04510	2.6
105.07026	26.0
106.04170	5.1
107.04971	4.9
107.07874	2.4
107.08599	45.8
111.04404	3.2
116.06223	2.1
117.03380	9.5
119.08573	9.0
120.48016	1.9
121.02875	44.1
121.03960	9.3
121.06480	10.6
121.10149	99.9
122.10529	2.0
123.08031	2.0
131.04939	17.5
133.10168	2.3
134.03633	5.1
134.10938	2.6
149.02351	100.0
149.05994	25.7
149.09621	19.5
149.13263	27.1
168.30327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
51.08564	1.4
53.03946	4.5
53.29682	1.5
54.67755	1.2
55.01876	1.4
55.05512	3.9
57.07080	2.7
65.03947	13.8
68.17770	1.3
69.07074	4.7
69.30408	3.6
69.30827	7.2
76.25830	1.4
79.05503	13.8
81.07058	3.4
91.05481	17.7
93.03412	5.8
93.07056	27.2
95.04993	2.5
95.08613	1.5
98.03728	1.2
98.20771	2.9
98.25573	1.2
103.05480	6.3
105.07038	33.5
106.07854	2.0
107.04974	2.5
107.08612	38.8
111.04462	1.9
119.08583	9.0
120.09361	1.9
121.02876	19.9
121.04012	4.9
121.06525	6.4
121.10153	100.0
122.10477	1.8
123.08064	2.8
131.04956	1.8
131.08565	1.8
133.07643	5.2
134.10847	1.6
149.02359	42.1
149.06007	13.6
149.09625	31.1
149.10728	1.9
149.13264	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	150.0584
Annotation	Methionine
Peak:m/z	Relative Intensity
50.66954	0.3
53.03951	1.3
55.01876	1.7
55.05507	0.5
56.05038	100.0
56.96565	0.3
57.03440	5.1
58.99609	0.3
58.99874	1.3
59.52199	0.6
60.01404	0.5
60.02156	1.1
61.01153	56.9
61.02929	4.0
65.03946	0.7
65.52207	0.6
67.05508	4.5
68.02661	0.4
68.98296	0.6
69.01923	0.5
69.03436	9.6
69.53454	1.8
70.06584	0.8
70.99869	1.5
71.04995	2.9
71.52207	1.8
73.02197	0.5
73.02936	1.9
74.02444	6.4
74.05657	0.4
74.06081	6.4
74.99066	0.7
75.02694	0.5
75.04486	3.4
75.52401	0.4
76.02701	0.7
77.00918	0.9
77.52183	0.7
78.52969	2.8
79.02186	3.8
79.02968	0.3
79.05508	0.8
79.52209	0.5
80.51539	0.6
80.52704	3.4
81.01908	0.9
81.02789	0.3
81.02938	0.3
81.03409	2.8
82.01443	7.2
82.02686	0.4
82.99846	1.2
83.01485	0.5
83.04964	0.8
83.52190	0.3
84.01261	0.5
84.04512	2.9
84.05325	0.3
84.52962	11.8
85.01477	0.5
85.02165	0.3
85.02902	8.0
85.52846	0.7
85.53738	1.9
86.02935	1.7
86.06047	0.4
86.52686	1.8
86.99336	1.0
87.02142	0.4
87.02697	13.3
87.04465	0.8
88.02686	13.5
88.07634	1.1
88.52772	1.9
89.00891	0.6
89.02518	0.4
89.03460	0.4
89.04234	0.4
89.52049	0.6
90.02422	0.5
90.52447	0.3
90.52950	1.9
91.05465	0.6
91.19884	0.3
91.53732	1.2
92.03806	0.5
92.52711	1.9
93.01897	2.7
93.53482	11.8
94.02692	3.8
94.03560	0.9
94.06573	9.2
94.52756	0.7
94.53331	0.4
95.03462	3.9
95.04947	0.4
96.02418	0.4
96.03796	0.4
96.04464	0.3
97.01420	1.9
97.02908	1.2
98.21464	0.6
98.52681	1.3
99.04453	1.6
99.53480	4.5
100.00100	1.0
100.02497	19.0
100.05241	0.8
100.52449	0.9
100.54253	1.1
101.00888	8.9
101.02536	1.8
101.52065	0.4
101.53223	3.1
102.00996	0.6
102.02413	3.7
102.05547	21.1
102.52501	0.3
102.53989	0.8
103.00655	0.4
103.02451	1.4
103.03193	1.2
104.05334	72.3
104.52670	2.0
105.00106	0.9
105.03722	1.5
105.07062	0.3
105.53458	0.5
106.06570	2.4
106.54253	0.3
107.02502	0.3
107.08565	0.3
107.53217	0.5
108.54017	0.3
109.01363	0.4
109.03229	5.0
109.53011	0.4
110.53746	1.1
111.02938	1.0
111.03735	0.6
111.04446	1.3
111.53460	2.5
113.00867	1.8
113.53195	2.0
114.03323	0.4
114.04044	0.9
114.53967	0.8
115.02435	9.0
115.03921	0.3
116.05788	0.3
118.01183	2.0
118.03575	8.9
119.01926	12.4
119.03648	0.6
120.02001	1.4
120.03321	0.4
120.04203	0.3
120.52129	0.4
120.53960	1.1
121.01649	0.5
122.06042	4.6
122.53725	0.7
123.01575	0.4
124.02479	2.8
126.04007	1.0
127.02413	3.2
127.04095	0.9
128.01898	0.9
129.03963	1.7
129.54512	0.9
131.01897	3.3
132.05083	1.0
133.03204	48.4
134.03543	1.0
135.03244	0.4
136.02402	0.3
137.02940	1.1
138.03981	1.4
139.02370	0.6
141.02721	1.5
142.01111	1.6
142.03500	6.4
143.01924	4.6
143.03650	0.7
144.01984	0.4
144.05057	0.6
144.99844	1.4
145.03470	15.8
146.03731	0.7
147.01347	0.6
147.05014	0.9
149.03018	0.5
150.02689	1.0
150.04008	0.9
150.05553	16.9
150.07727	6.3
150.08983	0.7
152.05544	0.4
154.03471	1.3
155.01936	2.2
156.05048	1.3
157.03494	2.6
158.03497	0.4
159.01430	0.4
159.05075	0.4
160.02136	1.0
160.04448	0.4
161.02977	4.6
162.03139	0.3
163.04579	1.6
168.01370	0.8
168.05043	4.6
168.06566	1.3
169.05154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.5
53.00302	0.7
53.03950	7.4
55.01870	1.0
55.05516	0.4
56.88295	0.3
56.96560	0.4
65.03944	3.4
66.13342	0.3
67.05504	18.9
69.34225	2.7
77.03932	4.1
79.05486	2.8
81.03410	1.0
81.07054	1.4
91.05471	1.3
93.07036	0.6
95.04971	24.2
95.08607	1.0
98.21339	1.2
104.68784	0.4
105.03400	6.6
105.04504	2.9
105.07014	1.3
107.04958	4.7
109.06535	0.8
119.04908	0.4
120.59119	0.4
123.04431	6.9
123.08036	0.4
129.99791	0.3
133.02867	2.3
151.03906	100.0
151.07329	1.6
151.11090	0.8
152.04263	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03953	11.3
55.01863	1.7
65.03958	3.3
67.05510	28.3
70.83015	1.4
77.03931	4.8
79.05495	2.3
81.03411	1.7
81.07037	0.6
83.59795	0.5
91.05485	1.2
93.07035	0.6
94.72263	0.5
95.04975	55.0
96.05290	0.7
105.03396	5.5
105.04503	4.3
105.07020	0.6
107.04940	3.6
109.02842	0.5
119.69263	0.5
123.04441	16.5
129.17101	0.5
133.02858	1.7
133.03882	0.5
142.84389	0.5
151.03914	100.0
151.11235	0.9
152.04250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
53.03703	0.8
53.03950	11.6
55.01875	1.5
55.05505	0.7
62.77552	0.4
65.03941	4.1
67.05508	26.2
69.31438	2.4
69.31859	1.2
77.03932	6.2
79.05486	2.2
81.03428	1.5
81.07063	3.2
91.05491	4.8
91.64210	0.4
93.07053	1.0
95.04973	64.5
95.08622	1.5
96.05313	0.8
98.21483	0.7
105.03399	6.8
105.04508	5.1
105.07020	1.1
107.04963	3.4
107.08595	0.9
108.05750	0.5
109.02875	1.0
109.06506	1.7
109.10150	1.1
109.87433	0.4
118.06502	0.4
119.01788	0.4
119.04955	2.5
122.78473	0.4
123.04441	14.5
123.08062	0.9
133.02875	2.0
133.03822	0.4
133.10136	0.8
136.05170	0.9
151.03909	100.0
151.07454	3.3
151.11179	2.8
152.04250	1.3
167.03358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
52.05551	0.5
52.90749	0.4
53.00296	0.6
53.03950	6.8
55.01863	1.2
57.53117	0.4
57.77291	0.4
65.03951	2.3
65.04242	0.4
67.05509	19.7
70.39478	0.9
70.39835	1.0
77.03928	3.6
79.05492	2.7
81.03416	1.2
81.07058	1.5
86.91892	0.4
91.05470	1.6
93.07048	0.6
95.04974	24.8
95.08601	3.3
98.20912	0.8
98.21458	0.6
105.03403	7.7
105.04499	2.6
105.07019	1.2
107.04964	5.0
107.08606	0.5
109.06564	0.7
109.10178	2.3
123.04451	6.8
123.08076	1.1
123.11723	0.6
133.02870	2.8
133.06503	0.6
151.03915	100.0
151.07472	3.8
151.11244	0.7
151.14763	0.5
152.04251	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02379	1.0
52.76910	0.3
53.00308	0.4
53.03707	0.5
53.03950	8.7
55.01862	1.3
55.05500	0.5
57.07051	0.4
62.38262	0.3
65.03944	3.5
67.05507	18.0
68.99785	1.3
69.07062	0.7
69.45924	1.3
69.46349	1.3
74.45320	0.3
77.03928	3.8
79.05494	2.0
81.03419	1.7
81.07066	4.9
82.40777	0.4
82.54024	0.4
83.04982	0.5
91.05458	2.1
93.07050	2.1
95.04975	33.7
95.08595	1.4
95.77698	0.3
105.03398	6.6
105.04496	3.6
105.07027	2.4
105.87095	0.4
107.04949	4.6
107.08591	1.3
109.02897	0.6
109.06544	1.6
109.10156	1.9
119.04955	0.6
123.04433	8.0
123.08044	0.5
123.11717	1.8
133.02846	2.0
133.06534	0.7
133.10143	1.1
134.50230	0.4
151.03911	100.0
151.11182	5.2
151.14781	0.4
152.04245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02392	1.2
53.03951	9.3
53.64441	0.4
55.01873	1.6
55.05520	0.7
56.96578	0.5
62.05223	0.4
65.03945	6.4
67.05508	23.0
68.95290	0.8
69.03413	0.6
69.07100	0.5
69.49326	3.1
77.03922	4.0
79.05495	3.8
80.06263	0.7
81.03426	1.6
81.07063	3.5
83.05029	0.4
91.05485	65.4
92.05805	0.4
93.07056	3.0
95.04974	55.0
95.08611	2.5
96.05325	0.8
96.45170	0.4
98.21474	0.9
98.97588	0.5
103.05492	0.8
105.03408	6.8
105.04513	4.0
105.07034	3.0
107.04963	4.4
107.08583	1.2
107.47639	0.6
108.05746	1.4
109.06521	2.7
109.10164	1.9
118.06540	0.5
119.04951	39.9
120.05247	0.5
121.02892	0.5
121.06554	0.6
123.04431	10.6
123.08075	1.7
123.11749	0.7
128.02318	0.4
133.02872	2.4
133.10146	1.3
136.05183	5.9
137.05992	2.7
151.03912	100.0
151.07542	41.8
151.11151	3.7
152.04309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02369	1.3
53.00302	0.4
53.03953	6.6
53.34600	0.3
55.01863	0.9
65.03941	2.7
67.05506	17.2
70.74640	0.8
77.03930	4.4
79.05491	2.5
81.03397	1.2
81.07061	0.8
91.05460	1.2
95.04971	24.3
95.08582	0.5
95.93549	0.4
105.03403	7.0
105.04509	2.9
105.07024	0.4
106.04184	0.4
107.04959	3.9
107.08581	0.4
109.06500	0.8
109.10193	0.4
119.04932	0.5
123.04431	5.5
129.60399	0.3
133.02899	2.9
151.03909	100.0
151.07523	1.3
151.11227	0.6
152.04250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
51.02375	1.2
53.00302	0.3
53.03710	0.4
53.03951	7.0
55.01870	0.6
65.03949	2.9
67.05511	15.9
68.05829	0.2
68.24511	0.3
69.65177	1.3
77.03928	4.4
79.05501	2.2
81.03411	0.9
81.07052	0.4
91.05437	0.6
91.79126	0.3
93.07062	0.5
95.04978	26.1
96.05312	0.4
105.03416	6.5
105.04503	2.9
105.07030	0.5
107.04966	4.1
108.95840	0.2
112.26725	0.3
118.06528	0.2
119.04936	0.4
123.04443	5.5
133.02875	2.0
136.87346	0.2
139.39073	0.3
141.41821	0.3
146.91919	0.3
151.03914	100.0
152.04251	1.7
154.71178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02368	0.8
53.03711	0.4
53.03953	6.7
54.93755	0.4
55.01866	1.1
55.05504	0.4
65.03931	1.8
67.05508	14.9
69.83285	1.4
69.83705	0.7
73.93951	0.3
77.03936	4.1
79.05498	3.9
80.02644	0.3
81.03387	0.6
81.07054	1.0
82.57871	0.3
82.72056	0.3
91.05470	0.7
93.07063	0.6
95.04975	31.5
95.08589	0.5
96.05291	0.4
98.20744	0.5
105.03408	5.7
105.04497	3.1
105.07040	1.1
107.04967	3.5
107.08584	1.6
109.06511	0.7
109.10143	0.8
114.21191	0.4
115.41396	0.4
123.04444	4.8
127.85085	0.4
133.02859	1.6
133.10100	1.8
139.04602	0.4
151.03914	100.0
151.11176	1.8
152.04289	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01604	0.5
51.02373	1.1
53.00298	0.4
53.03947	6.8
54.29698	0.4
55.01868	1.5
56.96579	0.4
65.03951	3.5
67.05508	17.2
67.59213	0.4
69.27753	2.7
77.03934	3.4
79.05500	3.0
81.03439	0.8
81.07058	1.8
87.79868	0.3
91.05491	3.9
93.07037	1.2
95.04975	25.1
95.08603	1.6
98.21133	1.8
105.03400	6.4
105.04513	3.5
105.07021	1.8
107.04967	4.6
107.08577	1.0
108.02091	0.4
109.06509	2.2
119.04955	1.6
123.04446	5.8
123.08133	1.9
123.08901	0.4
123.11742	0.5
128.02313	1.0
133.02798	2.2
133.06491	1.0
133.10121	0.5
136.05202	0.7
149.02361	0.5
151.03915	100.0
151.07474	4.4
151.11176	1.8
152.04245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02378	0.9
53.00301	0.3
53.03710	0.5
53.03947	7.1
55.01873	1.5
55.05505	0.6
57.07103	0.3
59.04977	0.5
65.03938	3.7
67.05508	17.9
71.57822	0.4
77.03919	3.1
79.05492	2.2
81.03407	1.0
81.07045	1.8
91.05481	3.8
93.07034	1.4
95.04971	25.7
95.08586	1.5
96.05289	0.3
104.59116	0.3
105.03400	6.0
105.04501	3.7
105.07034	2.0
107.04969	3.9
107.08619	0.8
108.02099	0.7
109.06525	2.2
109.10165	1.1
112.32017	0.4
119.04932	2.1
123.04433	6.1
123.08045	0.7
133.02875	1.7
133.10115	0.7
136.05208	0.4
141.05479	0.3
150.12875	0.3
151.03909	100.0
151.07460	3.8
151.11133	1.6
152.04262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.4
50.87286	0.3
51.02378	1.1
53.03952	7.3
55.01873	1.6
60.04732	0.4
65.03956	2.4
67.05508	17.9
69.84493	1.6
77.03932	3.2
79.05499	2.6
81.03415	0.9
81.07062	1.8
90.50187	0.4
91.05482	2.5
93.07042	0.7
95.04976	24.7
95.08589	1.0
95.65632	0.4
96.01582	0.3
98.20983	0.9
105.03394	6.1
105.04493	2.8
105.07011	1.5
107.04960	4.3
107.08612	0.9
109.06522	0.9
109.10162	0.4
116.03992	0.4
116.99218	0.4
119.04924	0.5
123.04440	6.1
123.08035	0.9
123.11722	1.1
133.02817	2.3
133.06458	0.5
133.10178	0.5
133.67517	0.3
151.03911	100.0
151.07454	3.0
151.11174	1.7
152.04254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
51.02374	0.7
53.03948	2.6
55.01875	0.4
65.03941	2.9
66.04711	1.2
67.05512	5.8
69.66598	0.9
69.66998	1.1
77.03918	1.9
78.04694	1.2
79.05513	2.5
80.06274	3.1
80.37792	0.4
81.03411	0.4
81.07045	0.7
90.04694	1.9
91.05485	11.1
93.03405	0.9
93.07037	1.1
95.04980	7.1
95.08611	0.8
105.03403	3.4
105.04506	1.1
105.07027	0.7
106.04194	1.8
107.04961	26.7
108.02096	0.5
108.05743	9.8
109.06529	1.4
113.13189	0.3
118.04154	1.3
119.04954	2.6
119.06027	0.4
121.02973	0.4
121.06488	0.4
123.04431	2.2
123.08066	1.1
133.02863	0.8
135.03410	0.4
135.04431	7.8
136.05202	12.9
136.51270	0.3
141.05435	0.4
142.65755	0.4
146.42691	0.3
151.03922	29.7
151.07545	100.0
152.07867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
51.02384	0.2
53.03944	0.8
55.01870	0.4
56.96582	0.4
58.86572	0.3
64.91724	0.3
65.03934	1.4
66.04723	1.1
66.34648	0.2
67.05515	1.6
69.42363	2.4
77.03924	0.3
78.04716	1.0
79.05498	2.6
80.06290	2.9
81.07059	1.2
89.03941	0.3
89.06052	0.7
90.04703	1.4
91.05490	8.3
93.03415	1.2
93.07034	1.2
95.05000	1.6
95.08617	0.9
98.20739	0.6
105.03405	1.7
105.04513	0.3
105.07043	1.5
106.04164	1.5
107.04964	23.9
107.08609	0.4
108.05753	10.2
109.06531	1.3
109.10125	0.3
118.04167	1.1
119.01723	0.3
119.04932	0.8
123.04491	0.5
123.08086	0.6
128.02354	0.3
133.10135	0.4
135.04430	6.6
136.05206	5.4
151.04070	3.3
151.07556	100.0
152.07961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.02378	1.3
53.03951	6.2
55.01870	1.4
55.05508	1.6
56.96573	2.3
61.02925	0.6
63.22816	0.5
65.03944	6.9
67.05508	14.4
68.99797	3.4
69.03426	0.7
69.45972	0.4
69.46242	3.7
77.03935	3.0
77.11533	0.4
79.05495	6.0
80.06281	0.9
81.03429	3.3
81.07062	3.8
85.02942	0.7
89.08727	0.4
91.05484	100.0
92.05790	0.9
93.07041	2.9
95.04973	28.0
95.08599	4.0
96.05286	0.8
98.97591	1.5
103.05491	1.4
105.03385	5.6
105.04517	2.4
105.07031	13.5
105.82838	0.5
107.04958	4.0
107.08604	2.0
108.02082	0.7
108.05740	1.9
109.02888	2.1
109.06537	5.7
109.10175	1.4
110.01323	0.8
119.01810	1.4
119.04948	57.6
120.05300	0.8
121.06539	0.4
123.04441	8.9
123.08092	3.5
123.11699	1.2
125.72916	0.4
128.02327	1.0
129.48320	0.4
133.02866	3.1
133.06493	4.9
133.10165	0.9
136.05206	10.4
137.05968	4.3
139.88016	0.5
146.68410	0.4
151.03914	80.3
151.07545	68.6
151.11079	2.2
152.04274	1.0
152.07915	1.0
167.67819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
51.02381	0.5
53.03948	1.8
55.01878	0.6
63.02368	0.4
65.02483	0.3
65.03944	5.1
66.95280	0.3
66.95686	0.3
67.05516	3.7
68.95290	0.3
69.03427	0.3
69.33068	2.4
77.03928	0.5
79.05489	2.0
80.06274	0.9
81.03429	0.5
81.07066	2.0
87.01068	0.3
91.05485	100.0
91.14687	0.3
92.05823	1.2
93.07058	1.0
95.04974	15.3
95.08601	2.0
98.20712	0.6
98.97572	0.5
103.05459	0.7
105.03406	1.1
105.04520	0.5
105.07050	1.6
107.04982	1.5
107.08586	0.3
107.47677	0.5
108.02101	0.4
108.05740	1.7
109.06516	1.2
109.10157	1.1
110.01315	0.7
119.04950	58.0
120.05307	1.0
121.06467	0.3
123.04479	1.4
123.08081	2.1
123.11752	0.6
133.02849	0.4
133.10110	0.3
136.05205	12.1
137.05975	4.9
151.03932	15.4
151.07547	62.4
151.11234	1.1
152.07889	0.8
160.07603	0.4
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	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
50.01579	0.7
51.02378	0.8
53.03947	9.9
55.01875	1.7
55.05510	1.4
56.96564	0.9
57.03448	1.1
65.03944	7.7
67.05508	19.3
68.95277	0.9
69.03407	1.1
69.07069	1.0
70.96844	1.9
77.03918	3.9
79.05495	3.5
80.06276	1.2
81.03441	1.1
81.07061	7.1
91.05486	100.0
92.05835	1.1
93.07023	3.5
95.04974	52.8
95.08611	5.2
98.01369	0.7
98.97586	1.1
103.05463	1.1
105.03396	5.7
105.04483	3.5
105.07043	4.4
107.04935	4.7
107.08599	1.7
107.47665	0.7
108.05773	2.2
109.06512	5.4
109.10175	2.9
110.01310	1.8
119.01836	2.0
119.04949	59.9
120.05241	0.7
121.06410	0.9
123.04421	9.8
123.08096	3.5
123.11716	1.4
133.02870	2.4
133.10130	1.9
136.05208	11.3
137.05994	4.8
139.53116	0.9
145.78935	0.8
151.03917	94.3
151.07549	66.0
151.11136	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03937	1.5
55.01867	0.8
55.05500	1.5
57.03437	0.5
57.07073	0.8
59.04981	1.0
65.03931	1.0
67.05507	8.3
69.03432	1.0
69.07051	1.2
70.96603	0.5
70.96959	0.5
77.03922	0.9
79.05500	3.5
81.03413	0.8
81.07061	8.8
83.04983	0.4
91.05483	6.5
93.07043	3.7
95.04974	7.8
95.08599	2.7
97.06538	1.2
105.03385	0.6
105.04531	0.7
105.07033	7.2
107.04945	1.5
107.08598	3.9
108.05740	0.6
108.09366	0.4
109.02892	0.3
109.06525	10.1
109.10153	6.8
115.87981	0.3
118.07694	0.4
119.04932	1.7
121.06495	0.9
121.10151	1.5
123.04427	1.5
123.08078	3.5
123.11726	3.0
133.02843	0.6
133.10110	3.6
136.05104	0.4
136.08833	1.1
148.07718	0.3
151.03909	16.8
151.04935	0.8
151.07697	2.7
151.11186	100.0
152.11514	1.3
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	p-Cymen-9-ol
Peak:m/z	Relative Intensity
53.03935	2.3
55.01854	3.8
55.05511	7.1
57.03424	3.8
58.12136	0.9
60.22500	0.9
63.02390	0.8
65.03928	2.5
67.05508	29.5
68.17252	0.9
69.03417	3.0
69.07044	1.8
70.99626	1.9
70.99974	1.2
71.04993	1.2
72.17091	0.8
78.77508	0.9
79.05500	37.1
79.05963	2.0
81.07063	41.4
81.96023	0.7
83.04980	7.8
85.97449	1.0
87.16311	0.9
90.13535	1.0
91.05486	55.9
93.07047	36.5
95.04970	7.8
95.08606	12.0
105.06303	2.2
105.07037	99.8
107.08598	100.0
108.08929	1.1
108.23737	0.9
109.06529	9.6
109.10159	27.7
119.06072	1.6
122.41887	0.8
123.08029	2.3
123.11723	5.3
131.08569	5.4
133.10136	98.2
136.31920	0.9
142.71822	0.9
151.03894	4.3
151.11192	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	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03941	3.6
55.01864	4.5
55.05528	7.0
57.03431	3.0
59.05001	3.1
59.34643	1.1
61.80572	1.0
65.03940	2.6
67.05512	48.7
67.05876	2.4
69.03435	4.8
69.07079	3.2
70.27641	1.0
71.04993	4.2
71.06635	1.1
77.03915	1.5
79.05504	41.5
79.05965	2.4
81.03425	1.7
81.07066	56.9
82.65227	1.2
83.04984	10.7
85.06528	5.2
91.05490	66.8
93.07055	41.7
95.04973	14.5
95.08611	11.3
96.89305	1.0
97.06522	3.4
105.07041	100.0
106.07359	1.1
107.08605	98.5
108.08918	1.3
109.06535	17.8
109.10168	35.8
117.07004	1.1
119.06059	1.4
121.10156	1.0
123.08044	3.5
123.11722	11.2
131.08583	5.1
133.02905	1.5
133.10144	96.6
134.10442	1.3
151.03912	12.2
151.11192	80.6
166.81004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.02370	0.7
53.03949	4.8
55.01862	1.7
55.05515	10.0
57.07063	1.3
59.05000	1.3
65.03938	2.2
67.05173	0.9
67.05506	14.9
68.99783	2.6
69.03423	1.9
69.07058	3.4
71.04981	1.8
75.59795	0.6
77.03928	1.7
79.05504	7.4
81.03425	3.1
81.07063	24.1
83.04958	1.1
91.05482	14.0
93.07056	11.3
95.04971	19.1
95.08617	6.7
97.06526	2.5
103.05488	0.7
105.03397	2.4
105.04526	2.1
105.07034	16.2
107.04939	2.9
107.08601	8.5
108.05766	1.1
109.02878	1.6
109.06525	16.9
109.10167	10.5
119.04949	6.1
121.06509	0.9
121.10163	2.7
123.04420	5.5
123.08074	6.5
123.11707	8.9
124.07613	0.8
125.44331	0.7
133.06479	2.0
133.10133	8.7
136.05185	1.3
136.08849	1.2
151.03917	47.8
151.07556	14.4
151.11186	100.0
152.11539	1.6
159.18913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03955	0.7
55.01873	1.0
55.05506	1.8
57.03426	0.8
57.07083	1.0
59.04986	0.7
65.03941	0.8
67.05508	9.4
69.03424	0.9
69.07063	1.9
71.07196	1.1
71.08884	0.6
77.03935	0.6
79.05499	6.7
81.07062	15.1
83.04967	1.7
90.94256	0.6
91.05492	9.5
93.07050	7.3
95.04996	2.8
95.08621	2.4
97.06551	1.0
105.07039	18.1
107.08601	14.7
107.09702	0.7
109.06532	11.7
109.10164	9.3
111.43169	0.5
119.06081	0.8
121.06534	0.6
121.10142	1.0
123.08067	3.7
123.11713	3.2
132.43929	0.5
133.10144	12.9
136.08849	1.1
151.03903	1.8
151.11192	100.0
152.11537	1.8
157.85558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0469
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
53.03944	0.9
54.04292	0.4
54.04731	2.9
55.05513	0.9
55.12936	0.4
56.96576	1.1
64.18023	0.5
65.03930	1.0
66.04736	0.5
67.05497	1.4
68.05843	1.2
68.99780	0.7
70.77880	1.2
73.24138	0.4
73.57342	0.4
78.04719	1.8
79.05495	0.8
81.03413	2.9
81.07076	0.7
82.04205	18.6
91.05512	0.5
92.05821	0.5
93.03410	1.2
95.04963	1.9
96.05307	1.9
96.05827	0.7
98.01291	1.2
98.97575	0.5
105.27546	0.4
106.04181	1.8
106.06555	0.5
107.04960	1.6
107.08601	0.8
109.02972	0.5
109.10181	0.5
110.06039	0.4
110.39495	0.4
111.02072	0.8
111.04464	1.3
120.02583	1.2
123.04417	3.2
123.95026	0.4
124.04771	0.4
124.05251	0.6
124.07589	1.0
125.06013	1.0
129.03055	1.1
133.02876	1.9
134.03693	2.6
134.06018	0.6
135.04440	5.5
137.02376	1.5
140.13091	0.5
150.85298	0.4
151.03917	14.3
152.04698	100.0
152.07162	2.0
153.05421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.02995	1.1
55.05508	5.4
56.96569	68.6
57.00010	0.8
57.03440	7.1
57.07065	0.9
58.99737	3.0
59.04983	0.7
60.85307	0.7
61.02935	7.6
65.03941	1.8
66.00528	1.9
67.05489	3.1
68.00273	9.4
69.03434	12.3
69.07076	1.6
70.72937	2.1
71.05001	5.9
71.95274	2.0
73.02923	1.6
73.66922	0.8
74.00275	5.1
74.97596	3.4
75.01062	4.4
75.04521	0.8
77.00791	12.5
78.18111	0.7
79.05489	3.6
80.00259	5.6
80.02079	2.5
81.03404	1.2
81.07066	5.5
82.01849	2.4
83.00784	10.8
83.04990	4.7
83.08620	1.7
84.01582	1.0
84.02473	0.9
84.96033	2.3
85.02916	2.5
85.51067	1.0
86.01305	1.4
86.97584	0.7
87.01040	2.7
87.04483	1.4
88.01817	2.6
88.51569	1.0
89.00782	31.1
89.02600	7.3
89.50953	1.0
90.01548	4.3
91.02357	0.9
91.05494	1.0
92.01315	2.6
92.05819	0.8
93.01042	4.7
93.03389	0.8
93.07040	2.5
95.02608	2.5
95.04986	1.0
96.01554	5.0
96.08134	1.0
97.02335	1.8
97.99168	1.1
98.01300	61.4
98.03121	6.3
98.03828	1.4
98.51485	1.7
98.97590	43.7
100.51569	1.2
101.02595	1.2
101.04407	1.4
102.01548	12.4
102.03375	1.8
103.02309	1.0
104.03185	0.8
104.03839	1.5
105.02079	4.8
106.06496	0.9
106.07320	0.9
107.01822	36.0
107.04375	5.2
107.05006	0.9
107.08561	2.2
108.08936	0.8
109.05122	1.6
109.06538	0.7
109.10167	3.2
109.52078	4.2
110.02872	1.0
110.03546	13.5
110.04937	2.9
110.10535	0.9
110.51440	1.1
110.97585	13.6
111.02065	32.0
111.03801	1.4
111.04460	2.7
111.08092	0.9
111.52256	1.7
112.99105	3.8
113.04379	13.7
113.54585	1.4
114.02619	0.9
115.00687	0.9
115.01389	0.8
116.02390	0.9
116.04922	38.4
116.55087	2.4
116.98626	6.8
117.03901	1.0
118.52628	2.2
119.01861	1.1
119.03674	1.0
119.05431	0.9
120.02587	60.0
120.52783	2.7
122.04916	66.7
122.52876	1.4
122.55083	5.2
123.11696	1.4
124.01904	1.5
124.07526	1.1
124.99107	0.9
125.05434	39.0
125.55603	3.1
127.00690	0.9
127.55707	1.5
128.04568	3.3
128.98619	10.4
129.02278	3.3
129.03108	68.5
129.03883	2.7
129.52478	1.7
129.53290	2.7
130.03294	1.8
131.00162	1.5
131.05434	76.9
131.53381	3.0
131.55606	8.9
133.55702	1.9
134.04570	1.1
134.05038	1.0
134.06013	9.2
134.99667	1.0
135.03040	22.3
135.04173	1.0
136.01427	2.6
136.56212	0.9
138.03647	4.4
138.52974	2.9
140.05949	25.3
140.53899	2.5
140.56123	1.8
140.98572	0.9
141.02252	2.2
142.56238	1.5
143.00192	1.8
143.03810	2.9
145.01718	1.0
146.99666	2.9
147.01414	1.2
147.03307	1.4
149.06477	2.3
151.11157	1.0
152.05692	100.0
152.06900	5.4
152.10706	2.1
153.02252	1.0
153.04080	26.0
154.02492	2.8
158.99689	2.0
159.03287	1.7
161.01221	0.9
161.04887	3.1
169.12260	1.7
171.03278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	6-Methylsalicylate
Peak:m/z	Relative Intensity
51.02367	0.5
53.03951	2.7
53.95457	0.3
55.01870	1.7
55.05495	1.1
56.96561	1.4
57.21674	0.4
65.03947	6.5
67.05509	6.0
68.96342	0.5
69.03419	1.3
69.07041	0.5
69.84563	0.8
69.84971	1.1
70.94244	0.4
70.95840	0.5
77.03916	1.3
79.05500	17.8
81.03396	1.5
81.07069	5.1
83.04971	1.2
89.03931	0.4
91.05507	1.9
91.05936	0.3
93.02838	0.6
93.03410	7.2
93.07059	4.1
94.26438	0.3
95.04976	18.6
95.08597	1.0
97.06533	1.3
97.95198	0.4
98.21473	0.7
98.97579	0.9
99.82305	0.4
105.03407	2.2
105.04520	1.4
105.07026	1.1
107.04965	40.7
107.08606	7.5
109.02880	1.6
109.06543	2.8
109.10159	0.5
110.03686	1.3
111.04462	7.3
111.08112	3.8
117.07081	0.4
123.04440	27.6
125.06001	5.5
125.09669	0.7
135.04428	100.0
135.08046	1.3
135.11659	0.5
136.04773	1.0
138.03069	0.5
138.63168	0.3
144.07768	0.3
153.05490	17.7
153.06749	0.9
153.09106	3.8
153.12738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	6-Methylsalicylate
Peak:m/z	Relative Intensity
51.02372	0.5
52.94123	0.4
53.03949	2.8
55.01867	1.3
55.05511	1.2
56.96551	0.5
59.88699	0.3
63.44616	0.3
65.03947	3.3
67.05508	5.0
68.99799	0.4
69.03429	1.2
69.07041	0.3
70.74730	1.0
70.94267	0.5
77.03930	2.2
79.05502	14.5
81.03413	0.8
81.07059	4.3
83.04953	0.8
89.03928	0.7
91.05479	1.4
91.47276	0.3
93.03407	3.5
93.07048	3.4
95.04980	13.6
95.08608	0.5
97.06522	0.7
105.03394	1.4
105.04523	1.4
105.07037	0.7
107.04964	34.0
107.08599	5.4
108.05319	0.4
109.02882	1.4
109.06554	2.4
110.03672	0.9
111.04439	3.4
111.08096	3.0
111.49988	0.3
123.04440	21.8
125.05988	3.1
135.04425	100.0
135.08025	1.3
136.04744	1.4
152.99945	0.4
153.05484	14.3
153.09090	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	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
53.03938	2.5
55.05492	0.9
55.65118	1.0
65.03947	79.0
67.05495	3.4
69.03455	0.9
69.07079	1.1
69.27379	8.9
69.46236	0.8
70.94267	1.1
70.95867	0.8
71.04996	1.7
79.05496	14.3
81.03405	1.1
81.07067	5.0
82.78555	0.9
83.04975	3.0
91.05489	2.9
93.03413	100.0
93.07069	6.2
95.04961	4.0
95.08627	1.9
97.06534	3.6
105.04520	1.3
107.04966	13.2
107.08609	7.4
109.06537	1.7
110.03673	14.8
111.04449	93.3
111.08094	3.2
111.96878	2.1
112.04797	1.1
121.06515	1.1
123.04418	1.2
125.06002	78.5
129.97945	0.9
134.06003	3.3
135.04391	4.7
135.08080	2.4
136.03900	1.5
138.03134	2.1
152.41324	0.8
153.04504	2.0
153.05484	50.4
153.09096	3.4
153.12741	1.6
161.00185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03953	2.1
55.01877	4.7
55.05510	6.6
56.96574	1.1
57.03433	0.9
65.03944	13.9
67.05508	68.0
68.05847	0.9
69.03429	2.7
69.07066	6.1
70.94266	0.8
70.95871	0.8
71.05000	1.7
71.57462	0.9
73.02930	2.0
79.05496	51.1
81.07059	100.0
82.07389	1.3
83.04983	3.4
83.08640	1.8
91.04913	0.8
91.05486	19.8
93.03405	13.5
93.07046	34.4
94.04166	0.6
95.04962	4.3
95.08607	15.4
97.02892	0.7
97.06529	6.9
97.10172	0.7
97.20348	0.7
105.04525	0.6
105.07031	7.9
106.04147	0.7
107.04962	6.7
107.08599	85.7
108.08933	0.8
109.06535	4.6
109.10161	35.1
110.03667	1.7
111.04450	13.2
111.08089	5.3
111.96895	1.4
115.05463	5.2
117.07022	13.7
119.06073	2.9
121.02882	3.6
123.04444	1.0
123.08035	0.6
125.05999	19.2
125.09647	3.3
135.04430	2.1
135.08055	47.9
135.11682	4.1
136.03947	1.1
136.08434	1.0
153.04379	1.3
153.05489	8.9
153.09111	25.2
153.10356	1.2
153.12761	4.6
154.08618	2.8
162.30356	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00303	1.5
53.03942	5.0
55.05511	14.2
56.96554	3.4
57.03432	2.7
57.07063	1.4
57.75704	1.7
59.04987	5.4
63.70364	1.3
65.03954	6.6
67.05508	19.0
69.03425	2.7
69.07072	31.2
69.14713	1.2
69.26960	1.3
70.74307	4.1
70.94245	2.3
70.95835	1.4
71.04996	32.8
71.95258	2.5
72.49815	1.2
73.06558	22.1
79.05495	33.8
81.07059	100.0
83.04981	5.4
83.08604	3.3
91.05481	9.0
93.03407	6.8
93.06468	2.9
93.07048	55.9
95.04953	3.8
95.08612	21.0
97.06533	19.1
98.97598	1.6
105.07049	4.1
107.04967	5.7
107.08598	56.5
109.06539	2.5
109.10162	26.7
111.04446	8.6
111.08101	7.2
111.52263	1.5
113.21951	1.3
125.06001	7.5
135.04440	3.1
135.07999	1.3
135.11702	78.8
136.03932	1.4
148.51190	1.3
153.05525	8.1
153.07439	3.0
153.09105	3.5
153.12752	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03940	2.6
55.05513	15.5
58.69446	1.5
59.05008	8.9
67.05505	5.1
69.07074	8.9
69.70641	5.9
69.71053	4.0
71.04999	43.9
71.37731	1.5
73.06554	24.1
79.05495	26.7
81.07063	100.0
83.08618	2.0
91.05472	6.6
93.07049	45.5
95.04975	1.9
95.08589	6.8
97.06527	4.4
97.68417	1.4
98.20817	2.7
98.21375	3.2
105.07029	2.3
107.08606	36.9
109.10207	6.9
109.10818	1.7
111.08076	2.7
116.65199	1.5
119.08614	1.8
129.80148	1.6
135.11694	35.2
137.29881	1.5
153.12740	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00300	1.5
53.03954	3.4
53.99842	0.5
55.05263	0.7
55.05516	12.3
56.21886	0.4
57.03419	0.6
57.07071	1.8
58.16245	0.5
59.05005	7.0
65.03951	1.1
67.05515	4.0
69.07066	7.6
69.58295	0.6
69.59088	3.5
69.59393	1.0
71.04996	41.3
73.06561	24.3
73.06967	1.3
76.61303	0.5
79.05498	26.3
81.07062	100.0
82.07376	0.6
83.04991	0.7
83.08640	1.7
85.06540	0.7
91.05482	7.4
93.07050	39.7
95.04967	1.3
95.08607	6.8
97.06528	5.2
98.21358	1.7
105.04514	0.6
105.07042	2.5
107.08601	35.1
109.06535	0.8
109.10172	5.2
111.08092	2.2
119.06101	0.6
119.08590	2.0
134.61307	0.5
135.11702	31.6
153.12747	12.2
153.13919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.98882	0.9
52.00859	0.9
52.41260	0.9
53.03942	1.6
55.05520	8.0
57.03453	1.4
57.07074	1.4
59.05003	2.5
65.03935	1.2
65.98724	1.0
67.05508	11.5
69.07076	10.2
71.04996	13.4
73.06547	6.3
74.34869	0.9
79.05498	14.8
81.07062	36.4
83.04995	5.2
83.08614	3.1
91.05487	9.9
93.07047	81.3
94.07378	1.1
95.04970	1.8
95.08611	63.4
97.06535	10.5
105.07035	4.3
107.08599	100.0
108.08925	1.3
109.10163	16.6
111.04391	1.1
111.08081	1.9
115.26679	0.9
119.08560	1.2
135.11699	57.2
153.12750	24.7
153.47626	1.0
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
53.03934	2.4
53.25967	0.8
55.05515	13.0
57.07080	1.2
58.48484	0.8
59.05003	7.6
67.05499	4.0
69.07068	8.2
70.88065	1.5
70.88416	0.9
71.04996	41.4
73.06171	1.7
73.06560	23.2
74.88464	0.8
76.25619	0.8
76.76524	0.7
79.05067	1.4
79.05495	21.5
81.07059	100.0
83.04988	1.4
83.08616	1.6
85.06548	1.0
91.05481	6.6
93.07050	41.7
95.04990	1.2
95.08620	6.8
97.06550	6.4
102.30768	0.9
105.07024	2.5
107.08600	37.0
109.10147	7.2
111.08062	3.0
119.08578	1.5
135.10690	1.8
135.11707	33.8
145.69153	0.8
153.12755	16.5
174.62155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.18888	1.9
53.03944	3.2
55.05517	12.3
55.65282	2.0
59.04995	6.4
67.05502	4.8
69.07056	8.2
69.57997	1.9
69.80022	8.9
71.04995	45.6
73.06560	26.0
79.05489	25.9
81.07062	100.0
91.05470	9.1
93.07049	48.0
95.08621	12.5
97.06528	6.7
99.79015	1.9
105.07044	3.2
107.08594	49.8
109.10159	6.4
111.08079	4.2
125.13013	2.1
135.11699	36.5
153.12749	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00303	2.4
53.03931	4.5
55.01851	1.3
55.05513	14.2
57.07064	2.3
59.05010	7.2
59.05246	1.4
62.47471	1.3
65.03938	13.2
66.32596	1.4
67.05504	8.6
69.03422	2.0
69.07070	12.1
70.94269	1.5
71.04995	41.6
71.58262	1.9
73.06557	26.2
75.38653	1.3
77.03927	2.8
79.05499	27.2
81.07058	100.0
83.04982	2.7
83.08611	2.5
89.78682	1.2
91.05477	8.9
93.03407	14.0
93.07045	44.5
93.62826	1.4
95.04974	20.8
95.08620	9.6
97.06529	9.6
101.54552	1.3
105.03371	2.5
105.04517	1.4
105.07049	3.5
107.04947	3.5
107.08593	42.1
109.06534	3.2
109.10157	7.5
110.03667	2.2
111.04439	13.3
111.08048	5.4
119.08568	1.8
123.04439	14.3
125.05991	24.3
125.09605	1.7
130.83916	1.4
135.04434	2.0
135.07985	1.6
135.11696	36.8
144.20743	1.3
153.05466	27.8
153.09085	2.8
153.12759	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03938	2.7
55.05515	7.0
57.07074	2.1
59.04992	2.4
62.72242	1.0
65.03960	2.3
66.02892	0.8
67.05511	10.3
69.07082	9.4
69.45817	6.4
71.05002	14.9
73.06557	7.1
75.46548	1.0
79.05502	15.7
80.81145	0.9
81.07064	37.2
83.04997	5.4
83.08614	2.6
91.05479	8.7
93.07058	76.4
95.08619	52.3
97.06544	5.1
105.07012	2.2
107.04958	1.5
107.08607	100.0
108.08920	1.7
109.06513	1.6
109.10170	10.2
111.08118	1.2
119.08593	1.4
125.06013	3.2
135.11708	51.1
153.05469	3.2
153.12759	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	154.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04302	3.0
55.01876	5.8
55.05519	14.8
56.05849	5.3
56.96576	36.8
59.05001	26.8
62.39853	2.9
65.03957	5.5
66.04295	6.4
67.05505	19.0
67.81996	3.8
68.05028	8.5
68.96335	7.4
68.99776	7.2
69.03436	9.1
69.07070	11.1
70.02953	6.7
70.06578	3.1
70.07412	5.2
70.22602	11.6
70.94259	5.3
71.05015	16.2
71.25869	2.9
71.94108	12.2
71.95260	11.9
72.05303	7.5
72.93792	61.0
73.06565	7.9
79.05497	13.7
80.05045	6.7
80.05836	9.6
81.03413	5.0
81.07062	48.9
82.06593	3.1
82.07394	25.6
82.10824	2.9
83.04980	13.7
85.06542	5.4
87.04469	11.5
88.01820	8.5
90.94835	13.1
91.05483	11.8
93.03414	3.4
93.07050	14.4
94.03744	5.6
94.07396	19.6
95.04975	16.6
95.08606	13.3
96.01571	3.1
96.05308	5.8
96.08953	5.1
97.02338	22.3
97.06548	9.1
97.77343	3.9
98.06893	3.6
98.97601	18.7
99.04440	4.3
99.52631	4.5
106.02860	5.5
107.08613	6.4
108.04512	8.7
108.08129	21.7
108.08950	16.0
108.53122	15.3
109.00697	2.9
109.02900	5.2
109.06516	16.9
109.10154	9.2
109.98959	4.0
110.01309	4.6
111.02050	5.4
111.03217	37.0
111.04445	5.9
111.08078	6.9
112.04790	7.5
112.07635	4.3
112.08378	3.9
112.96692	4.5
113.05191	3.7
113.06005	5.1
113.96414	41.3
115.00738	4.0
116.98627	7.2
117.53638	4.5
118.06553	4.8
119.04916	3.3
122.01263	31.7
123.04449	13.3
124.04754	17.7
124.07581	10.0
125.05964	3.4
126.05526	100.0
126.06354	17.7
126.09165	11.2
127.03948	6.5
130.96346	10.1
131.00294	3.9
131.01799	95.5
131.51967	7.3
131.97433	15.9
134.99718	3.8
136.03912	9.2
136.04784	9.0
136.07587	48.5
136.12041	16.9
137.02440	4.0
137.05983	6.9
137.09628	5.1
140.02345	10.7
142.52646	6.7
144.08466	2.9
148.97379	14.3
149.01233	4.0
149.97269	5.0
154.04892	87.1
154.08566	30.3
154.09624	3.1
154.12144	4.8
154.13226	4.3
155.03394	5.7
155.07027	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	154.0501
Annotation	(5R)-Carbapen-2-em-3-carboxylate
Peak:m/z	Relative Intensity
55.01860	0.5
55.05527	1.0
56.96571	5.2
57.03452	0.8
60.95869	0.3
61.84922	0.3
65.03951	0.7
66.04285	0.5
67.05501	1.0
68.05035	0.7
68.96339	1.5
69.03442	0.3
69.07080	0.5
70.02954	4.7
70.06613	0.6
70.94260	1.4
70.98165	0.4
71.05013	0.5
71.57151	0.6
71.94105	1.0
71.95276	1.6
72.93793	2.6
75.01006	0.3
79.05522	0.4
80.05035	0.7
81.03433	0.5
81.07059	1.9
83.03717	1.9
83.04993	1.3
84.01580	0.4
84.04519	0.6
85.02900	0.4
87.04488	1.0
88.95361	0.3
89.00797	0.4
90.94831	0.7
91.05498	0.5
92.00174	0.3
94.03747	0.5
95.04979	0.6
96.04484	0.4
96.08145	0.5
97.00526	0.5
97.06544	0.4
97.99177	0.4
98.97615	1.0
99.04477	0.8
101.00768	0.6
106.01015	2.2
108.04535	0.5
108.05289	0.5
108.08138	0.7
109.06529	2.5
109.98972	0.8
110.01292	0.6
110.80758	0.3
111.00266	0.6
111.03194	39.8
111.04458	1.6
112.05011	1.3
112.96732	0.6
112.99170	0.6
113.03535	0.4
113.96400	2.3
115.01548	0.7
115.52007	0.4
116.04903	0.4
117.51840	0.5
119.01794	0.8
119.04932	0.3
119.97332	1.2
120.00790	0.8
122.02294	0.4
122.04919	0.8
123.04476	1.6
125.05379	0.5
126.05524	100.0
126.09130	1.0
127.03925	0.7
127.04996	0.3
127.05864	1.3
128.97865	0.7
129.01288	0.4
130.96312	3.5
131.00168	1.1
131.01880	0.8
131.02756	0.5
131.05434	1.5
131.96164	0.6
131.97433	0.9
132.02597	0.4
133.05058	0.6
136.03873	0.7
136.04877	0.5
136.07582	3.3
137.05986	1.2
137.98343	0.4
139.02667	1.3
140.05952	0.4
148.97394	4.1
149.97231	0.5
153.97942	0.6
154.04996	68.8
154.08501	2.1
154.12187	0.8
155.03368	0.7
155.05350	0.3
155.07011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53118	0.2
53.03937	0.3
55.05516	3.0
56.05027	0.4
56.96563	0.4
57.03429	0.2
59.95253	0.2
61.56386	0.2
62.98880	0.2
65.03944	0.4
66.04274	0.3
67.05508	1.4
68.05009	0.4
69.03418	0.6
69.07061	0.4
70.06586	0.8
71.01357	0.3
71.05000	0.4
71.51838	0.2
71.57913	0.2
71.94086	0.6
71.95254	0.3
72.43587	0.2
72.93803	1.5
75.71871	0.2
79.05493	1.6
80.05009	0.4
81.07063	5.8
82.06579	0.8
82.07400	0.4
83.04965	0.2
83.07388	0.2
83.08618	0.8
84.04485	0.2
84.08132	0.5
85.06577	0.2
87.04472	0.2
90.94819	0.3
91.05476	0.5
93.05784	0.4
93.07047	0.4
94.03709	0.2
94.07385	0.4
95.01345	0.3
95.04974	1.8
95.08621	0.7
96.04506	0.4
96.08104	0.4
96.08926	0.3
97.05283	1.7
98.06059	2.1
98.09700	1.4
108.04475	0.2
108.08141	2.6
108.08869	0.4
109.02870	0.2
109.06529	3.9
109.10174	0.3
110.06046	2.5
110.06772	0.3
110.64084	0.2
111.04440	0.3
111.06104	0.1
111.06832	2.9
111.08067	0.2
112.04771	0.3
112.96731	0.4
113.96420	1.1
123.00842	0.5
123.04457	0.3
124.03948	0.2
124.07570	0.5
125.08365	0.6
126.05512	0.6
126.06377	0.4
126.09163	2.6
130.96376	0.2
131.97459	0.5
136.03905	0.3
136.07588	1.0
136.12099	0.3
137.06012	0.2
137.13287	0.3
138.05496	0.4
139.06294	3.4
148.97401	0.3
152.07098	0.2
154.08636	100.0
155.07072	0.5
155.08980	0.8
155.14316	0.2
161.03020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93834	2.0
56.96573	2.3
57.03459	0.8
57.15783	0.3
59.40790	0.3
63.66138	0.4
64.21625	0.3
67.05524	0.8
69.96183	26.3
70.25241	0.6
70.25634	0.8
70.95869	1.7
71.94106	9.4
72.93793	8.1
77.52183	0.5
77.88747	0.3
81.03424	0.5
81.07069	0.4
82.01441	0.6
83.04977	0.7
83.71398	0.3
86.52702	2.3
87.97234	0.4
88.51677	0.7
89.51613	0.4
89.95142	0.6
90.94825	1.6
94.98815	0.3
95.04972	0.6
95.53234	0.8
98.21349	0.4
99.53448	0.8
100.02494	1.0
101.00903	1.1
108.48256	0.3
109.02870	0.5
109.06538	0.6
110.96815	0.4
110.98792	1.8
111.98478	0.8
112.96732	0.5
113.00911	0.4
113.53198	0.5
113.95123	7.5
113.96394	6.2
113.97162	0.5
114.04044	0.7
118.03551	0.4
119.01926	0.9
119.97372	1.7
119.99042	0.5
120.48843	1.0
121.01632	0.4
122.34319	0.3
122.53752	0.6
124.02461	0.9
127.03929	1.3
128.49503	0.5
128.97868	1.6
128.99519	1.7
129.49380	2.0
129.99586	0.4
131.01920	1.4
131.96161	100.0
132.05051	2.9
132.95815	3.3
133.03523	0.6
137.06007	0.4
137.98419	0.4
138.00090	2.4
138.49878	1.8
140.00368	0.4
140.50343	1.6
141.00206	1.0
142.03511	1.5
149.00806	0.6
149.50905	1.7
149.97215	75.7
150.00578	2.4
150.06140	1.1
150.96866	2.8
151.97601	0.4
154.03526	0.4
154.97751	5.1
155.03450	0.5
155.07004	1.1
167.24648	0.3
167.98273	2.8
172.98813	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	154.9776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93834	1.7
55.01853	1.1
55.05516	3.0
55.61532	0.5
56.05041	0.5
56.96570	16.1
57.03437	1.9
59.04988	0.5
61.02916	0.9
67.05495	1.8
68.99790	0.5
69.03426	2.4
69.08465	0.5
69.96180	28.5
70.12444	2.0
70.95869	3.4
70.98122	0.9
71.01356	0.8
71.04989	1.1
71.94104	10.3
72.08149	0.5
72.93793	12.2
72.94877	0.6
73.02917	2.5
77.52190	0.5
79.05500	1.0
80.00253	0.6
81.03428	1.4
81.07056	2.2
82.01453	2.3
82.75043	0.5
82.99854	0.6
83.04992	2.0
83.06260	0.4
85.02911	1.8
86.52695	0.8
87.97215	0.5
88.02670	1.2
89.00783	1.5
89.95142	0.5
90.94833	2.8
91.05463	0.7
93.03408	0.6
95.01352	0.9
95.04974	1.5
95.53278	1.0
97.02910	1.2
97.52082	0.6
97.99173	1.7
98.01308	0.6
98.20691	0.7
98.97593	5.9
99.04441	1.4
99.15308	0.5
100.02491	4.4
100.07625	1.0
101.00875	3.5
102.01550	1.2
102.02386	1.0
103.00575	0.7
106.01029	1.2
108.06930	0.6
108.51313	2.1
108.53994	0.5
109.02880	1.7
109.06520	2.6
109.10137	0.7
109.52117	0.6
110.01274	0.9
110.96790	1.2
110.97542	0.8
110.98801	1.6
111.02054	1.4
111.02871	0.6
111.04455	1.3
111.98478	1.7
112.01596	1.6
113.00867	2.1
113.95130	7.5
113.96404	7.3
113.97148	0.9
114.00998	0.6
114.04028	0.7
115.52640	0.7
116.98609	1.5
117.51815	4.8
118.03516	2.0
118.92053	0.8
119.01926	6.8
119.97330	4.1
120.02561	1.1
121.01553	0.9
121.04247	0.6
122.50983	0.7
123.04443	0.9
124.02457	1.2
124.99139	0.8
125.01760	1.1
127.03927	7.5
128.97827	5.3
128.98642	0.8
129.99500	0.6
131.01915	5.6
131.48114	1.2
131.51587	2.5
131.53270	0.7
131.96158	100.0
132.02014	1.8
132.05043	0.9
132.95847	7.7
133.03442	1.8
134.02330	1.0
134.99634	0.7
136.93132	2.8
137.03027	1.4
137.05983	0.8
137.98373	2.4
140.48639	0.8
142.03476	4.6
143.02834	1.0
144.98087	0.6
149.02985	0.6
149.97209	79.5
150.96866	5.2
154.12268	4.2
154.90775	0.7
154.94167	2.4
154.97751	5.9
154.98929	0.7
155.00215	0.9
155.01996	1.1
155.03438	2.5
155.04684	1.6
155.07002	2.4
155.12737	3.7
155.97406	0.7
158.99658	1.6
160.04567	0.6
163.02744	0.6
167.98341	3.1
172.95238	2.2
172.98805	4.0
173.01091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19020	1.1
52.28498	1.2
52.71466	1.1
53.03939	4.1
54.93833	3.2
55.01867	4.4
55.05263	1.4
55.05513	21.5
55.93531	1.7
56.05042	1.0
56.96569	47.4
57.03425	4.9
59.04996	1.9
61.02913	3.1
65.03944	2.6
66.54284	1.1
67.05507	10.1
68.99791	1.0
69.03429	11.4
69.95812	1.7
69.96183	31.2
70.32261	3.3
70.95866	14.9
70.98106	2.2
71.01337	1.3
71.04980	3.3
71.94108	10.2
71.95245	1.2
72.08177	1.1
72.93794	53.5
72.95995	0.9
73.02918	6.2
73.06562	14.0
73.92963	1.0
75.01035	2.3
77.00735	1.1
79.05497	7.7
81.03429	5.3
81.07056	20.7
83.02598	1.0
83.04967	7.1
84.01563	1.8
85.02904	10.4
85.06537	3.0
87.04459	3.2
88.96893	2.5
89.00823	1.7
90.94820	10.4
91.05508	5.1
92.03140	1.6
93.07043	2.9
95.01311	2.4
95.04970	11.5
95.06110	1.0
95.08587	2.1
97.02881	7.4
97.06526	3.3
97.99168	2.1
98.01283	2.3
98.09698	7.3
98.97594	34.5
98.98415	5.4
99.04453	4.1
100.02478	1.6
100.51565	1.4
101.00874	2.9
102.01572	1.8
102.02332	1.1
106.01059	3.3
107.01797	1.6
109.02906	5.9
109.06522	30.9
109.10153	4.3
110.01286	1.2
110.03129	2.6
110.07235	1.1
110.96877	1.5
110.97572	4.3
111.02078	2.7
111.04452	7.6
111.08086	6.4
111.98480	6.2
112.00945	2.8
112.01594	3.0
112.99128	1.7
113.00887	2.6
113.01665	1.7
113.06009	4.5
113.95176	7.0
113.96403	36.0
115.02346	1.6
116.98640	8.9
117.03881	1.8
117.51753	1.9
118.92061	1.4
119.01891	4.9
119.97320	10.1
120.02597	1.4
121.01560	2.0
121.98428	1.3
123.00802	3.7
123.04456	6.4
125.01774	2.5
125.03646	2.0
125.06013	9.2
127.00706	2.0
127.03930	14.3
127.07552	4.2
128.02319	1.6
128.97829	11.2
128.98665	2.7
129.02226	3.1
129.99510	1.3
131.01901	6.4
131.48097	1.5
131.96159	100.0
131.97412	15.2
132.05074	1.3
132.95844	19.2
134.02303	3.7
134.99701	1.5
136.93100	2.9
137.02338	1.8
137.05975	7.5
137.09570	1.4
137.98375	7.1
140.04683	4.6
142.03490	3.3
143.00136	1.6
143.01880	1.8
144.98120	1.5
145.01756	2.1
146.02043	1.9
146.04164	1.5
146.99596	1.3
147.03311	8.1
149.01071	1.2
149.97209	91.8
150.96880	22.0
154.54085	1.9
154.94235	5.2
154.97726	5.6
155.01991	2.3
155.03394	10.6
155.04648	24.5
155.07014	21.7
155.08214	2.1
155.11673	1.8
155.12746	1.9
155.54787	3.7
155.97400	2.4
158.99672	15.8
161.01237	1.4
161.02969	1.5
163.02751	2.0
164.05211	7.4
165.04340	3.5
166.55447	1.4
167.98294	5.1
172.95270	6.5
172.98817	3.5
173.98488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03953	1.5
53.62415	0.4
55.01870	1.3
55.05514	9.2
56.96571	0.4
57.07083	3.0
59.05004	3.3
65.03954	0.8
65.61868	0.4
66.94814	0.4
67.05506	13.2
67.94447	0.4
69.03454	0.5
69.06724	0.8
69.07076	12.2
69.42248	3.6
69.96179	1.9
70.95873	0.8
71.04993	2.8
71.94106	1.5
72.93794	26.3
79.05495	5.9
81.03416	0.6
81.07061	100.0
82.07397	0.8
83.04990	1.5
83.08616	2.0
85.06554	1.3
90.94831	4.9
91.05497	0.6
93.07060	2.6
95.01328	0.9
95.04972	6.5
95.08612	59.9
96.08974	0.4
97.06512	1.4
97.10164	4.5
98.09695	5.3
99.04483	0.5
99.08079	1.4
105.04513	0.7
108.95830	0.5
109.02895	1.1
109.06537	2.4
109.10168	4.1
111.04426	1.2
111.08080	0.7
111.11714	2.1
111.98534	0.6
113.06023	0.9
113.09703	0.5
113.96406	20.7
121.01557	0.5
123.00792	1.3
123.04429	3.2
125.06040	0.7
127.03897	1.4
127.07510	0.7
128.17503	0.5
131.96147	5.4
131.97426	8.9
132.95821	1.4
137.05904	1.0
137.09605	1.3
137.13263	13.8
149.97203	5.1
150.96896	1.3
154.98976	1.3
155.03378	1.8
155.04802	0.5
155.07030	4.3
155.08337	0.7
155.10625	1.0
155.14293	2.3
156.13872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
65.59673	1.6
70.24465	4.9
74.09724	13.0
74.22596	1.3
86.10194	1.3
96.96920	3.7
98.09711	2.7
98.20795	1.7
111.02113	1.3
111.38399	1.3
112.05276	8.7
120.02581	1.5
127.08629	1.3
130.06285	13.8
137.24765	1.3
137.58597	1.6
146.52074	1.4
156.04227	100.0
165.98650	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59673	1.6
70.24465	4.9
74.09724	13.0
74.22596	1.3
86.10194	1.3
96.96920	3.7
98.09711	2.7
98.20795	1.7
111.02113	1.3
111.38399	1.3
112.05276	8.7
120.02581	1.5
127.08629	1.3
130.06285	13.8
137.24765	1.3
137.58597	1.6
146.52074	1.4
156.04227	100.0
165.98650	1.7
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
50.55363	0.5
54.59983	0.6
55.01885	1.6
55.05532	0.9
56.96577	4.1
57.03438	2.8
58.99886	1.4
61.02928	3.6
67.05531	0.6
69.03439	2.5
69.49111	3.5
69.49519	1.3
70.95875	2.1
70.99853	1.3
72.08138	0.7
72.93810	1.5
73.02929	3.4
74.09734	4.2
78.52984	1.9
80.52718	1.0
82.01443	5.8
82.99842	7.3
83.00765	0.7
83.01545	2.4
83.04973	1.0
84.01597	1.5
84.08188	0.5
85.01426	2.2
85.02925	1.9
85.07668	0.9
86.52705	1.7
87.53485	0.9
88.09874	0.5
89.00851	1.0
92.52711	1.0
94.00812	0.7
94.02682	1.2
95.01379	0.9
95.03453	0.6
95.53254	0.8
97.01386	0.6
97.02921	0.8
98.01308	1.2
98.09702	8.1
98.97589	2.3
100.02484	8.5
101.00888	57.1
101.02556	4.4
101.53230	1.6
102.00963	1.4
102.01569	1.2
102.02220	1.1
103.00679	0.8
103.01367	0.8
103.02374	3.3
105.02106	0.6
105.53446	1.3
109.52966	0.9
110.01327	0.7
110.02145	0.7
110.07150	1.0
111.02059	3.1
111.04457	0.6
111.98463	1.4
112.01038	0.6
112.03791	0.7
112.05263	1.5
112.99127	0.8
113.00882	1.1
114.00911	0.8
114.04015	3.1
114.53979	1.8
115.00596	0.8
115.02441	3.6
115.04133	1.0
116.98646	0.7
118.03534	1.0
119.01927	100.0
120.01962	1.9
120.02631	1.7
121.01584	1.6
121.03468	0.9
123.53661	0.6
123.54538	0.9
124.02484	9.1
124.04668	0.7
129.03061	1.4
130.06320	2.9
131.00177	1.7
131.01886	1.9
132.02003	1.9
132.05037	0.8
132.95818	3.5
133.01643	2.3
133.03474	16.4
137.01967	1.0
137.02966	15.2
138.04012	0.7
142.03506	68.3
143.01862	0.8
143.03665	1.5
144.03242	0.8
144.99788	0.6
147.01137	0.6
147.03137	0.7
147.05054	1.3
147.79028	0.5
149.01207	1.8
150.96840	3.2
151.04591	2.6
156.04198	21.0
156.05347	1.1
156.13809	2.4
160.04570	11.9
165.05081	1.5
168.01378	1.2
173.98515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23359	0.5
55.01877	5.8
55.05507	1.6
56.96572	3.2
57.03444	3.3
58.99874	1.1
61.02929	8.5
65.03936	0.9
65.52169	0.5
67.01874	1.2
67.05505	2.2
68.05020	1.1
68.05836	0.8
68.99776	0.7
69.03429	2.2
70.06598	3.7
70.95863	3.3
70.99863	1.5
71.03001	0.6
71.56694	0.9
72.08156	0.6
72.93799	3.0
73.02923	2.4
77.00923	0.7
78.52969	5.3
79.03030	0.6
79.85426	0.6
80.52664	0.8
81.03433	0.6
81.07066	0.9
82.01449	6.7
82.06589	2.7
82.07394	0.8
82.99825	2.6
83.01392	0.9
83.04990	3.5
84.04513	1.9
84.08147	2.2
84.99281	1.0
85.02885	2.9
85.53746	0.7
86.06068	1.2
86.52707	1.7
87.00833	0.7
87.53467	1.4
88.96935	0.9
89.00850	1.1
90.94843	0.8
91.02380	0.6
92.52706	2.8
94.00812	0.8
94.52439	0.8
95.01319	2.8
95.04980	1.6
96.04475	0.7
97.02904	1.2
98.09698	100.0
98.52681	0.8
98.97582	1.0
99.51653	0.7
100.02487	17.0
100.52465	1.0
101.00888	29.8
101.02545	2.7
101.53215	1.5
102.02223	0.8
103.01367	1.8
103.02450	1.5
105.51665	1.1
106.52422	0.7
109.52988	1.0
110.02237	0.9
110.03170	0.8
110.06073	3.4
110.07182	5.4
110.09647	1.1
111.02074	1.0
111.04448	2.2
111.05605	1.1
111.08112	1.6
111.98492	2.0
113.00886	1.2
113.02402	1.5
114.00883	0.5
114.04050	3.7
114.05500	1.1
114.52186	0.9
115.00610	1.1
115.01317	1.2
115.02448	4.0
117.01844	1.7
118.02754	0.9
118.03537	8.4
119.01926	95.2
120.02038	2.4
121.01599	0.5
121.03500	0.6
123.04066	0.6
124.02475	3.7
126.05502	0.7
126.09156	1.1
126.98758	0.9
127.03909	0.7
128.07076	2.3
128.10713	1.2
129.03049	0.6
129.99496	0.8
131.01901	3.2
132.02017	1.2
132.05052	2.7
132.95799	5.8
132.96648	0.5
133.01642	4.6
133.03456	15.1
133.05040	0.7
134.99605	0.6
137.02965	25.7
138.03050	0.8
138.05489	2.7
138.09116	1.2
139.03880	1.2
141.05019	0.6
142.03510	50.8
143.03632	1.4
144.99823	2.8
147.01411	0.7
147.04999	0.9
149.02971	1.0
150.00398	0.9
150.96889	8.8
151.04547	3.9
154.03482	0.7
155.97433	0.8
156.04105	0.8
156.05118	1.7
156.06538	5.4
156.07533	0.8
156.10222	5.7
156.13846	22.5
159.01414	0.8
160.04556	13.3
161.02971	0.7
165.05128	1.1
168.01463	3.4
168.99849	2.7
172.99316	1.5
174.06204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1225
Annotation	60046-50-6
Peak:m/z	Relative Intensity
53.03955	1.4
55.01850	2.5
55.05513	13.0
55.23277	0.9
55.86786	0.9
56.96566	18.0
57.03440	51.8
57.07083	12.1
59.04997	2.1
65.03957	1.6
67.05505	7.5
68.99781	1.2
69.03419	6.2
69.07071	63.5
70.06583	3.4
71.04645	1.4
71.05000	18.6
71.56276	0.9
71.56681	1.3
72.05316	1.1
72.93760	1.6
73.06546	4.7
74.93167	1.4
74.93845	6.4
76.85191	1.0
78.49705	1.2
79.05486	7.5
81.07056	14.9
83.02618	1.5
83.04990	7.5
83.08614	3.8
85.02943	1.1
85.06547	100.0
86.09707	2.6
87.04459	2.4
87.08105	1.9
89.02586	1.9
90.41704	1.1
91.05481	2.4
92.94892	1.2
93.07057	12.2
95.04951	2.1
95.08615	7.7
97.02912	5.1
97.06541	19.1
97.10184	7.6
97.99163	2.4
98.03074	1.4
98.09698	7.0
98.97579	9.6
99.08096	4.2
99.10009	7.2
101.05991	1.2
106.86548	1.0
111.04429	5.9
111.08084	2.9
111.11724	12.0
114.05184	2.2
115.96445	10.1
116.98640	5.7
118.54749	1.1
121.10146	22.4
123.05692	4.8
125.55891	1.1
128.06187	2.5
129.02219	2.6
129.07004	7.2
130.06552	3.3
133.97484	2.4
134.99666	3.3
139.03911	7.1
139.11194	20.7
140.14392	1.4
141.07036	2.5
142.07780	17.0
147.03305	3.3
157.04956	3.8
157.06459	2.7
157.07571	2.5
157.10156	13.4
157.12184	9.1
157.14215	2.3
158.09637	2.2
158.15430	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	157.1224
Annotation	60046-50-6
Peak:m/z	Relative Intensity
53.00297	0.9
55.05259	1.2
55.05514	15.3
55.97501	0.7
56.96563	1.8
57.03440	1.3
57.07069	1.2
58.92305	0.8
59.04996	1.3
67.05492	2.6
69.03432	3.0
69.07072	100.0
70.90782	1.2
71.04996	43.0
72.93807	0.8
73.43777	0.8
74.93822	0.8
79.05491	2.3
81.07066	5.9
83.04971	1.9
83.08621	4.0
87.08116	6.1
90.09889	0.7
93.07049	6.8
95.08620	6.4
97.02886	0.8
97.06537	18.4
97.10185	3.8
98.09683	1.9
98.97588	2.7
99.08093	14.1
99.10028	1.3
111.08109	1.2
111.11718	15.3
112.07662	0.8
115.96445	2.1
116.98639	1.8
121.10158	7.1
129.06993	1.6
130.06474	1.2
139.03918	1.5
139.11182	9.0
142.07767	1.0
150.96869	1.0
157.05002	1.4
157.06461	1.6
157.10139	1.1
158.09724	1.2
158.15385	3.7
170.06453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	13.8
56.96565	2.6
57.03434	1.2
57.07076	1.5
59.05001	1.8
67.05511	1.4
69.03436	2.6
69.07074	100.0
69.80653	2.9
70.06606	0.8
70.07410	0.7
70.85892	0.5
71.05000	38.5
74.93832	1.4
79.05501	1.9
79.94071	0.6
81.07053	4.6
83.05000	2.6
83.08599	3.3
84.91938	0.5
85.06548	0.7
87.08118	6.2
93.07047	5.3
95.04947	0.7
95.08616	5.7
97.02913	1.5
97.06538	13.1
97.07136	1.0
97.10194	5.2
98.09715	1.8
98.20821	0.8
98.97593	2.9
99.08102	15.7
99.10071	1.4
101.05991	0.7
109.02901	0.8
111.04447	1.7
111.11721	15.3
115.96488	2.2
116.98665	1.2
121.10152	6.7
127.03984	0.6
128.06194	1.4
129.07047	2.3
130.06517	1.3
139.03903	1.1
139.11186	9.1
142.07838	1.6
150.62630	0.6
157.05164	1.2
157.06523	3.7
157.07668	5.5
157.10205	1.7
157.12254	1.2
158.09634	1.2
158.15414	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	157.1225
Annotation	60046-50-6
Peak:m/z	Relative Intensity
53.03949	0.8
55.01876	0.9
55.05516	12.5
56.96574	3.5
57.03442	0.7
57.07088	0.9
59.05001	3.1
67.05508	2.0
68.99795	0.5
69.03436	2.1
69.07073	100.0
70.07446	0.7
70.95908	1.2
71.04998	39.1
79.05501	3.8
81.07066	11.6
83.04999	1.2
83.08622	4.6
85.06560	1.0
87.00837	1.0
87.04487	0.9
87.08115	7.0
89.02609	1.5
91.05492	1.3
93.07053	6.3
95.04984	0.6
95.08620	5.0
97.02909	0.5
97.06539	16.1
97.07140	0.9
97.10176	4.7
98.03145	0.7
98.09698	1.5
99.08104	14.4
99.08752	0.9
99.09998	1.2
101.06003	0.5
103.05433	0.6
105.07045	0.7
107.08603	0.6
109.10195	1.3
111.04511	0.6
111.08089	0.7
111.11731	16.1
114.05206	1.6
115.53883	0.5
121.10151	7.7
123.05708	4.0
128.06235	3.0
129.02271	2.3
129.07013	3.6
134.56532	0.7
139.03938	0.6
139.07558	0.6
139.11198	7.9
142.07831	1.0
147.03334	1.8
157.05135	1.0
157.06531	5.7
157.07661	1.7
157.10155	0.6
157.12268	1.9
157.14143	0.8
158.09720	1.0
158.15472	2.1
165.04276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.7
53.03962	1.0
55.01879	2.0
55.05514	17.6
56.96566	5.7
57.03438	2.1
57.07076	1.6
59.05006	2.0
64.82559	0.6
67.05508	3.7
69.03440	4.2
69.07072	100.0
69.52016	2.1
69.52444	3.2
70.06596	1.4
71.04996	43.9
74.93834	2.9
79.05499	2.2
81.07049	5.5
83.04996	4.7
83.08623	4.3
85.06549	1.7
86.09697	0.9
87.08111	6.2
91.05495	1.1
93.07059	6.5
95.04971	0.8
95.08611	14.0
97.02892	3.0
97.06540	17.1
97.10190	5.7
98.09704	3.2
98.97608	4.7
99.08111	14.1
99.10025	3.2
109.02892	3.0
111.04458	2.6
111.08086	1.5
111.11722	16.8
113.09662	1.6
115.96415	3.8
116.98631	2.5
121.10155	7.6
127.03942	2.6
128.06223	2.3
129.06995	4.7
130.06564	4.9
133.97499	1.3
139.03909	2.4
139.07573	1.3
139.11171	9.8
142.07774	3.6
151.97163	1.1
157.04938	2.5
157.06487	4.8
157.07623	42.4
157.10153	2.7
157.12254	2.0
157.14204	1.5
158.08012	1.0
158.09685	1.9
158.15422	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	158.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.0
55.05514	1.3
56.05040	1.5
56.96567	21.1
57.03437	17.9
58.99862	2.0
60.02127	1.6
61.02927	20.5
65.03948	1.4
65.52172	1.6
67.05508	5.5
68.00282	1.4
68.05032	2.4
69.03432	26.1
69.07041	2.5
70.03766	1.8
70.06596	100.0
70.22186	4.3
70.22529	2.4
70.99873	2.8
71.01347	2.2
71.04996	11.0
71.06120	1.9
71.95274	1.7
72.01398	1.5
73.02921	38.4
74.97591	2.4
75.01052	1.6
75.01910	2.5
75.04475	2.8
77.00862	1.6
77.52189	1.5
78.01402	2.2
78.52968	6.4
80.02959	4.5
80.52726	1.6
81.01048	4.9
81.01894	2.5
81.03416	8.0
82.01449	10.5
82.02696	2.5
82.53227	1.3
82.55244	1.3
82.99834	4.2
83.00784	3.2
83.04996	2.8
83.52158	1.8
84.04523	1.4
84.08144	10.0
84.52970	2.8
84.96043	1.7
85.02146	4.2
85.02906	18.5
85.51920	2.6
85.53735	7.0
86.06075	6.2
86.52705	5.8
87.01040	4.3
87.01909	14.6
87.04463	4.3
88.02680	1.9
89.00851	2.3
89.03435	1.4
89.91157	1.6
90.01559	4.5
90.52946	4.0
91.53714	2.9
92.52694	10.9
93.01888	11.3
93.53479	1.5
94.02681	31.8
94.06608	1.5
94.52774	2.8
95.00752	1.4
95.52145	1.4
95.53227	2.1
96.01544	11.6
96.02427	13.2
96.52960	2.8
97.02898	23.1
97.96788	1.8
98.01270	1.6
98.06042	4.2
98.09682	12.6
98.52699	8.2
98.97591	61.4
99.01881	17.1
99.04465	5.3
99.51992	2.2
99.53478	7.4
100.02486	25.9
101.00870	32.9
101.53245	1.9
102.00960	3.6
102.01592	3.1
102.02386	7.6
102.52514	1.5
103.00639	7.6
103.02453	3.1
103.03194	6.1
104.52702	4.9
105.02089	6.0
105.02779	2.3
105.53477	8.2
107.52500	1.6
107.53196	4.6
108.01637	2.8
108.02405	41.9
108.52499	3.1
108.53996	3.2
109.02900	4.7
110.01263	9.3
110.52718	6.6
110.97578	4.5
111.02058	4.3
111.02855	2.6
111.04402	2.5
112.07610	50.6
112.08730	8.1
112.11281	1.8
112.99143	2.7
113.00876	12.8
113.53186	11.0
114.05547	19.6
114.09196	1.6
114.53970	1.7
115.02427	5.4
115.97877	1.7
116.07079	17.8
116.53732	1.5
116.97281	1.7
116.98631	28.6
117.02083	6.1
117.02918	55.2
117.03772	2.9
117.53017	4.9
118.03532	8.7
119.01910	42.2
119.53178	13.5
120.02006	5.1
120.03311	2.0
121.01659	21.3
121.02432	2.4
122.53735	2.4
124.02466	7.0
126.02560	10.1
126.03421	38.0
126.53554	5.8
127.02447	2.0
127.03928	2.1
128.02222	2.3
128.53711	16.5
128.98616	4.1
129.03915	5.1
130.06519	1.5
131.00191	3.7
131.01912	24.8
133.03485	3.6
134.03575	2.7
134.53650	1.4
134.99646	10.1
135.03116	23.2
135.03998	12.5
136.02440	3.3
137.02930	3.1
137.53282	1.4
137.54224	16.8
139.02702	5.5
139.03886	2.0
140.00209	1.6
140.04317	1.9
140.07080	4.5
140.14326	3.8
142.03493	20.8
143.00226	3.5
143.01912	38.7
143.03589	3.1
144.02142	2.5
144.03311	12.4
145.03516	7.0
146.53842	2.4
146.54839	3.4
147.01379	2.6
147.04938	2.0
149.01244	1.4
149.03033	1.7
153.04269	1.4
154.03471	5.6
155.01921	11.2
156.05122	1.6
157.03505	5.4
158.08118	11.2
158.09386	13.7
158.11755	3.8
158.12917	9.8
158.15402	44.0
160.04625	1.6
161.02974	32.6
162.03113	1.8
162.04333	2.1
168.05103	2.1
169.03441	2.6
170.99713	1.8
173.02956	9.5
175.04535	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
53.03953	0.2
56.96565	2.5
57.07071	1.0
60.85920	0.2
67.05508	0.9
69.03423	0.3
69.07082	0.2
69.90073	1.0
70.06591	2.3
70.98131	0.6
71.04990	0.6
71.08654	0.2
71.95276	0.3
73.02967	0.2
74.06079	0.3
79.05508	0.2
81.07066	0.6
83.08662	0.2
84.04491	0.3
84.08153	0.4
85.02926	0.2
85.10188	0.4
88.92302	0.2
89.03931	0.2
95.04942	0.2
95.05991	0.2
96.01563	0.4
98.06058	0.6
98.09708	4.1
98.97593	8.2
103.05467	2.6
109.10202	0.2
110.01340	0.3
112.07636	1.6
116.07086	0.6
116.98621	4.6
117.98294	0.2
120.98787	0.2
123.05644	0.4
128.04913	0.5
130.06537	100.0
131.04944	0.2
131.06856	1.6
131.08549	0.7
134.56892	0.3
134.99686	1.6
135.03123	0.6
140.00195	0.6
140.07069	0.6
140.14337	1.5
141.01854	0.7
143.08215	0.9
146.06090	0.3
148.51877	0.2
158.01237	0.3
158.06035	10.0
158.07133	0.5
158.08182	0.9
158.09660	3.4
158.15417	16.5
158.19044	0.5
159.08081	0.8
159.11732	1.1
163.03889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0806
Annotation	1-Methoxynaphthalene
Peak:m/z	Relative Intensity
51.17867	0.5
53.03945	0.7
53.75884	0.4
67.05508	0.9
69.71751	2.8
71.04995	0.8
81.07062	4.0
85.02921	1.1
87.00835	1.1
87.62086	0.5
91.05486	54.1
95.08623	2.0
97.06481	0.6
98.97580	1.7
99.08103	0.9
103.05473	2.5
105.07059	1.2
113.02314	0.8
115.05465	10.6
116.06248	20.8
116.98629	0.7
117.01837	0.7
117.07028	1.3
118.06527	0.6
123.08054	2.2
127.05412	0.5
128.06235	0.7
129.07014	15.4
130.07866	1.0
131.04930	2.2
131.08575	100.0
132.08908	1.4
141.01848	3.3
141.06989	6.0
141.09114	1.6
143.06073	0.6
144.05704	10.3
157.06512	0.7
158.07225	0.6
159.08064	68.7
159.11696	2.0
159.15755	1.6
160.08463	1.1
169.07661	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	159.0919
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
51.31491	0.7
56.96572	6.0
69.03423	0.7
71.04987	0.9
71.25735	0.8
71.95268	1.2
76.93359	0.9
77.20027	0.6
81.03398	1.0
81.07060	0.6
85.02908	1.0
87.00841	0.7
91.05495	2.1
92.05062	0.6
95.08602	0.7
97.06549	0.8
98.97590	37.6
99.04432	1.3
99.97942	2.6
113.02374	1.1
115.05465	19.9
116.05003	1.1
116.98634	16.4
117.05769	11.3
117.96003	1.0
117.98978	1.7
118.06538	3.9
130.06537	23.9
131.04956	0.8
131.06883	3.7
131.08568	2.1
132.08099	93.0
133.08452	1.0
134.99660	3.2
140.00227	0.7
141.01820	3.9
142.06529	39.1
154.43108	0.7
158.08405	1.2
159.06430	2.0
159.09190	100.0
159.15761	1.7
160.07597	12.3
160.08957	0.9
160.09479	1.4
162.30847	0.8
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
53.03941	0.4
56.96563	1.1
59.52127	0.3
63.10735	0.3
65.03954	0.5
67.05514	1.8
68.34820	0.3
69.04101	0.3
71.56106	0.4
71.56474	0.3
73.38158	0.3
76.87827	0.3
79.05476	0.9
81.07072	0.5
88.74026	0.3
91.05489	7.8
93.07035	0.3
98.97591	7.4
103.05497	1.2
105.07039	18.9
106.07295	0.4
109.46535	0.4
113.02353	0.6
115.05473	2.8
116.06274	2.5
116.98608	2.4
117.05759	0.9
117.07027	13.9
117.07854	0.7
118.06550	7.4
118.07342	0.6
119.08591	8.7
119.09444	0.5
128.06250	1.3
129.07014	13.2
130.06575	0.9
130.07809	5.3
131.06932	2.6
131.08577	36.8
132.08055	2.1
132.08983	0.4
134.99713	0.5
141.01875	1.9
141.06987	2.1
141.65013	0.4
142.07794	1.7
143.08569	1.4
144.05714	2.9
144.09355	25.7
145.09634	0.4
157.10155	4.7
158.07274	0.5
159.04459	0.9
159.08083	29.9
159.11700	100.0
160.07556	0.5
160.12038	1.9
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
51.02398	0.4
55.01873	0.5
55.05495	0.4
56.10470	0.3
56.96572	1.6
58.09738	0.3
64.05254	0.3
67.05519	3.0
69.86420	0.3
71.04988	0.8
71.95251	0.5
76.92879	0.8
76.93375	1.1
77.03915	0.4
79.05489	1.1
81.03423	0.3
81.07061	0.9
82.53304	0.3
91.05488	9.5
93.07057	0.4
94.94443	0.6
95.04974	0.5
98.09705	0.4
98.21127	2.1
98.97598	5.1
99.04505	0.3
99.10052	0.8
99.97949	0.3
103.05473	1.3
104.05776	0.3
105.07038	17.7
110.87598	0.3
113.02375	2.8
113.05988	0.3
113.07943	0.3
114.09135	0.4
115.05457	2.8
116.06271	2.1
116.98642	2.4
117.05762	0.7
117.07026	14.9
117.95968	1.4
118.06557	4.2
119.04962	0.3
119.08594	8.2
119.09434	0.4
128.06230	1.3
129.07011	13.5
130.06552	5.1
130.07787	5.7
131.04936	0.7
131.06944	12.3
131.08571	36.0
132.08093	1.2
132.08987	0.4
134.99673	1.0
135.97041	0.4
141.01839	10.7
141.07004	2.0
141.14635	0.3
142.07779	2.2
143.08565	1.3
144.05693	3.0
144.09354	23.4
145.09811	0.4
157.10133	4.5
159.04469	0.6
159.06651	2.2
159.08073	35.8
159.11699	100.0
159.15730	4.7
160.07498	0.7
160.09651	0.3
160.12015	1.6
169.07593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1171
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03922	0.4
55.01878	0.6
55.05504	0.8
56.96563	4.5
57.03430	1.0
67.01843	0.5
67.05511	3.7
69.03429	0.9
70.06593	0.9
70.09176	1.9
71.04989	0.7
72.04501	0.8
76.92857	8.0
76.93365	2.0
79.05482	1.4
81.07041	1.6
85.02882	1.0
91.05484	6.9
93.07019	1.0
94.94415	0.7
95.08638	0.5
97.81442	0.5
97.99153	0.6
98.09666	0.8
98.97589	4.3
99.04454	0.8
99.10027	1.8
100.02480	0.9
100.80478	0.5
103.05475	0.5
105.07034	17.1
113.02361	4.1
113.05984	0.8
113.07928	0.9
114.09213	0.6
115.00696	0.6
115.05444	2.4
116.06229	1.0
116.98605	2.4
117.07026	13.0
117.96028	2.6
118.06538	2.0
119.01829	0.5
119.08591	7.9
128.06223	0.8
129.07016	9.8
130.06516	0.4
130.06903	0.5
130.07817	5.0
131.06958	1.1
131.08577	34.3
132.08099	1.0
132.08966	0.7
133.11559	0.5
134.99634	1.3
135.97002	1.4
136.00171	0.7
140.00220	0.7
141.01834	22.4
141.14671	1.0
142.07762	1.8
143.08543	1.4
144.05843	0.5
144.09354	23.0
144.41965	0.5
157.10168	3.9
159.02945	0.5
159.08113	6.0
159.11703	100.0
159.15739	9.4
160.07608	0.7
160.12019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81831	0.3
68.25099	0.3
68.80491	0.3
68.99784	0.6
71.30601	0.3
71.30941	0.5
75.39595	0.3
77.03956	0.3
78.04700	0.7
89.03912	0.4
90.04697	1.5
91.05482	0.9
103.05476	1.5
104.06287	4.5
105.03396	0.9
105.07050	2.0
109.77971	0.4
111.11341	0.4
114.04669	1.0
115.05456	1.2
116.06284	0.4
118.04159	0.7
118.06546	2.4
119.04924	0.8
122.10121	0.3
131.04939	25.7
132.05751	19.0
132.08009	0.7
132.25865	0.3
133.06477	0.9
142.04092	0.4
145.06223	0.5
146.31438	0.3
160.05205	100.0
161.05655	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.097
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
53.03930	0.4
55.05520	1.9
56.05033	0.7
56.70602	0.3
56.96571	0.7
57.03424	0.5
57.04570	1.5
58.64357	0.3
59.05005	0.5
60.04540	0.6
60.08177	0.3
61.02931	0.8
67.05521	0.3
68.05037	0.9
69.03439	3.0
69.07067	1.2
69.91426	0.9
69.91842	0.8
70.06598	6.3
71.04997	0.6
72.08155	0.5
72.93784	0.5
73.02911	0.9
74.06091	2.0
74.07184	0.7
79.05497	1.1
80.05006	0.3
81.03408	0.3
81.05802	1.6
81.07081	0.5
82.06586	2.6
83.04996	2.7
84.04470	0.7
84.08131	1.0
85.02901	0.8
86.06070	2.0
87.03986	0.5
87.04481	6.7
91.53763	0.3
94.02654	0.3
94.06557	1.0
96.08136	11.5
97.02898	1.3
98.97591	0.4
99.04388	0.3
100.02477	0.6
100.07620	4.0
101.00885	2.6
101.06013	0.9
101.53174	0.4
102.02381	0.4
103.02447	0.4
104.07095	1.7
109.01325	0.3
110.00707	0.3
110.06021	0.5
111.02053	0.4
111.02917	0.4
112.07566	0.3
113.00893	0.3
113.96410	0.4
114.05552	1.1
114.09173	100.0
115.02424	0.5
115.09489	1.0
116.07055	0.4
118.06554	0.5
119.01912	4.6
121.04277	0.5
124.08714	0.5
125.07111	1.2
128.98621	0.3
131.01886	0.7
133.03456	1.1
137.02922	0.8
141.03850	0.3
142.02458	0.3
142.03523	2.4
142.08653	5.6
142.09727	0.7
143.01956	0.5
145.03474	0.6
151.04500	0.4
157.03436	0.4
160.04538	1.0
160.09695	47.2
160.10837	5.1
160.13264	0.7
161.02992	1.2
173.02966	0.3
175.04539	0.5
176.88441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15863	0.2
51.30604	0.2
69.68064	0.6
69.68472	0.5
82.86267	0.2
82.99847	5.1
83.99956	0.2
86.76387	0.2
98.97613	0.5
101.00891	44.0
102.00936	2.0
102.96901	0.3
103.00680	0.2
103.02419	0.2
107.05251	0.8
111.04465	0.4
116.05792	0.9
116.98636	0.2
119.01933	100.0
120.01992	3.7
121.02347	0.3
124.02443	0.3
125.02666	0.3
137.02969	19.2
138.03073	0.6
142.03535	1.7
143.01906	0.8
143.03644	3.1
144.03287	0.6
147.05016	0.3
160.04619	0.2
161.02971	7.4
161.04634	0.7
179.04025	7.1
184.04480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01877	0.8
55.05516	0.7
56.05040	0.6
56.96569	1.7
57.03442	2.0
58.03774	0.1
58.99862	0.5
59.05005	0.4
60.00639	0.1
60.01420	0.1
60.04519	0.2
60.05664	0.1
60.95864	0.1
60.99633	0.1
61.02931	1.8
66.01387	0.1
67.05518	0.3
68.05029	0.1
68.98306	0.2
69.01943	0.1
69.03436	3.2
69.07066	0.1
70.06597	18.2
70.98119	0.2
70.99850	0.6
71.01379	0.4
71.02632	0.1
71.02968	0.4
71.04631	0.2
71.04997	1.8
71.06927	0.1
71.55341	0.1
71.95271	0.1
72.08160	0.3
72.52979	0.1
72.99595	0.1
73.01447	0.1
73.02192	0.1
73.02924	2.1
73.06579	0.1
74.06052	0.1
75.01086	0.1
75.01923	0.2
75.04485	0.3
76.02708	0.2
77.00898	0.5
78.52980	0.2
79.01610	0.1
79.02177	0.2
79.05508	0.1
80.00221	0.1
80.02948	0.2
81.01897	0.4
81.03423	1.8
81.07060	0.1
81.50802	0.3
81.52579	0.4
81.53501	0.1
82.01437	0.4
82.02695	0.3
82.99840	2.4
83.00782	0.1
83.01331	0.2
83.04977	0.5
83.08636	0.2
83.99937	0.2
84.04511	5.3
84.08141	0.4
84.96057	0.1
85.01435	0.5
85.02909	3.5
85.04850	0.3
85.06551	1.4
86.03264	0.1
86.03711	0.1
86.06076	0.3
86.52718	0.1
86.99336	0.2
87.01919	0.1
87.04465	0.3
87.53493	0.3
88.02689	0.6
88.03984	0.1
88.07635	0.2
88.51593	0.4
88.52747	0.1
88.99193	0.1
89.00838	0.4
89.02540	0.1
89.03459	0.6
89.53564	0.1
90.01557	0.1
90.02411	0.2
90.51316	0.2
90.52540	0.1
90.53099	0.2
91.02434	0.3
91.03191	0.1
91.05485	0.3
91.53722	0.1
92.52706	0.2
93.01903	0.2
93.02796	0.2
93.07056	0.2
93.52581	0.3
93.53486	0.4
94.02687	0.8
94.03548	0.1
94.52810	0.1
94.53333	0.1
94.99817	0.1
95.00780	0.1
95.01654	0.2
95.03482	0.4
96.01514	0.2
96.02433	0.2
97.01408	0.6
97.02893	4.2
97.03918	0.2
97.08392	0.1
97.52076	0.3
98.01306	0.8
98.03275	0.1
98.03989	0.3
98.06051	0.2
98.09689	0.2
98.97587	1.7
99.02979	0.2
99.03841	0.2
99.04476	0.7
99.53469	0.3
100.00053	0.1
100.02535	1.0
100.52398	0.1
100.53368	0.2
100.54260	0.2
101.00888	30.9
101.03447	0.8
101.06023	0.2
101.53220	0.3
102.00952	1.5
102.01563	0.1
102.02397	0.5
102.05566	0.2
102.51364	0.1
102.52488	0.2
102.53062	0.8
102.54013	0.3
102.96893	0.2
103.00641	0.6
103.01312	0.1
103.02448	1.1
103.03206	1.0
103.03959	0.4
103.05506	0.2
103.53326	0.1
104.01276	0.1
104.03995	0.2
105.00407	0.1
105.02158	0.2
105.07042	0.2
105.53461	0.3
106.02684	0.1
106.03694	0.1
106.52450	0.1
106.53316	0.1
106.54301	0.1
107.01820	0.3
107.03446	0.6
107.05289	0.4
107.53242	0.1
108.02363	0.1
108.04214	0.4
108.51281	0.1
108.53182	0.4
108.53940	0.5
109.03078	0.8
109.04062	0.2
109.52110	0.2
109.53234	0.1
109.53895	0.2
110.01297	0.5
110.02169	0.3
110.03994	0.7
110.97573	0.3
111.02063	0.2
111.02947	0.6
111.04472	0.3
112.03719	0.2
112.08742	2.4
112.99118	0.2
113.00885	0.9
113.02380	0.3
113.03488	0.1
113.53212	0.1
114.02485	0.2
114.04090	0.3
114.53172	0.1
114.53977	0.6
115.00635	0.2
115.02442	3.5
115.03169	0.3
115.04030	0.4
115.09527	0.2
115.52132	0.2
115.53088	0.1
116.01279	0.2
116.02509	0.3
116.03975	0.6
116.05839	0.4
116.07108	0.2
116.10773	0.1
116.53977	0.1
116.98647	0.7
117.02100	0.5
117.02978	0.3
117.04000	0.7
117.04749	0.2
117.54670	0.1
118.01154	0.2
118.02802	0.1
118.03577	0.6
118.53839	0.1
119.01928	100.0
120.01993	4.2
120.04166	0.1
120.53989	0.2
121.01666	1.0
121.02405	0.3
121.03449	0.3
121.04234	0.2
121.06490	0.9
121.54676	0.1
122.01297	0.1
122.03934	0.3
123.02904	0.5
123.04743	0.2
123.53618	0.2
124.01772	0.1
124.02508	0.3
124.03729	0.3
124.53474	0.1
124.93928	0.1
125.02619	0.3
125.03521	0.5
125.04505	0.3
125.98663	0.1
126.00866	0.1
127.02408	0.2
127.03935	0.3
128.02290	0.1
128.03961	0.2
128.98627	0.3
129.02095	0.1
129.03070	0.2
129.03970	1.4
129.04825	0.1
129.52829	0.1
130.03755	0.3
130.08745	0.2
130.09776	0.9
131.00198	0.2
131.01903	2.2
131.02789	0.2
131.03581	0.2
131.04549	0.2
131.05495	0.2
132.02022	0.3
132.03484	0.4
132.05144	0.3
133.01707	0.3
133.03474	7.3
134.03566	0.7
134.99666	0.2
135.03130	0.4
135.04968	0.4
137.02965	28.3
137.59763	0.1
138.03088	0.8
138.05286	0.1
138.53247	0.1
139.02499	0.3
139.04260	0.2
140.00163	0.1
140.03192	0.1
141.04010	0.6
142.03516	2.1
143.00110	0.3
143.01904	5.6
143.03645	2.5
143.99701	0.2
144.02016	0.4
144.03271	0.6
144.05086	0.2
144.06581	0.1
144.10249	0.1
144.11314	0.8
144.13799	0.1
145.01678	0.2
145.03419	1.4
145.05165	0.1
146.03699	0.2
146.05011	0.2
146.06595	0.1
146.99663	0.2
147.01366	0.3
147.03166	0.5
147.05038	1.4
148.05118	0.2
149.01158	0.1
149.02869	0.7
149.06532	0.1
149.10526	0.1
151.04538	1.0
152.04944	0.3
153.04089	0.1
154.04726	0.1
155.01915	0.3
156.02066	0.1
156.05046	0.2
157.01601	0.1
157.02083	0.1
157.03496	1.4
158.01259	0.3
158.03593	0.3
158.99744	0.2
159.03255	0.3
159.05052	2.6
160.04466	0.7
161.02969	15.1
161.04492	0.6
161.05591	0.9
161.09854	0.2
161.11166	0.2
161.55655	0.2
162.03102	0.6
162.04362	0.7
162.06117	0.2
162.11230	0.1
162.12407	0.2
162.14931	0.3
163.02612	0.4
163.04559	0.6
164.04688	0.1
165.06148	0.2
167.02017	0.1
167.03952	0.1
168.99835	0.2
169.03502	0.2
170.06049	0.4
170.55974	0.1
171.05017	0.5
173.02957	0.5
173.04761	0.1
174.03276	0.2
174.06134	0.2
175.00882	0.1
175.02907	0.2
175.04544	0.6
176.02348	0.1
176.04601	0.2
177.00722	0.4
177.02402	0.1
177.04480	0.2
177.06091	1.8
178.06239	0.2
179.04024	8.2
180.04146	0.3
183.05069	0.3
184.04552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03949	2.9
55.01883	4.6
55.05516	0.5
56.96563	0.9
66.04714	1.1
69.49426	0.4
69.71230	1.3
69.71640	1.7
71.96788	0.5
79.05499	17.1
81.03464	0.6
89.03895	0.6
90.04691	3.3
91.05486	4.2
95.04968	2.1
102.04652	0.8
103.05474	21.8
105.07039	100.0
106.07372	1.0
107.04968	0.7
113.02414	1.0
115.05468	26.8
118.04170	17.8
119.08602	1.5
131.04924	4.7
132.05690	1.2
133.06503	52.6
134.06850	0.7
143.04964	0.8
143.06035	5.7
146.03616	0.9
156.70888	0.5
161.05986	13.8
161.07231	1.0
161.09644	1.6
161.13274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.33475	0.3
53.03952	1.9
53.26057	0.4
55.01873	4.4
63.80853	0.3
65.03939	0.6
66.04726	1.1
66.78016	0.3
69.82059	1.6
77.03931	1.0
79.05498	16.7
81.03468	0.5
84.04514	0.7
86.11919	0.3
89.03908	0.9
90.04704	3.0
91.05489	4.1
92.02619	0.6
93.07043	0.3
94.04208	0.4
95.04961	2.0
98.20865	0.6
98.21473	0.7
102.04711	0.4
103.05473	22.0
105.07035	100.0
106.07388	1.3
107.04958	0.8
115.05459	26.9
116.05785	0.4
118.04169	18.5
119.08577	1.2
131.04929	4.7
132.05721	1.4
133.06499	54.1
133.10143	0.8
134.06839	1.1
143.04984	0.6
143.06041	6.0
161.04626	0.7
161.05984	14.3
161.09586	1.7
161.13255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03940	0.8
55.05518	4.8
56.96569	0.7
67.05506	12.6
69.03412	0.8
69.07076	5.6
71.56864	1.3
79.05496	14.8
81.07060	20.1
82.95939	0.7
83.08638	1.1
85.71535	0.6
91.05485	42.5
93.07048	16.4
95.04937	1.3
95.08614	7.3
103.05472	2.0
105.07035	76.8
106.07370	1.1
107.05215	0.7
107.08620	3.3
115.05448	1.2
117.07023	6.7
117.81128	0.8
118.06525	0.9
119.06895	3.6
119.08585	91.9
128.06255	1.1
131.08563	4.3
132.09305	1.4
133.06473	1.8
133.10135	60.6
134.10472	1.3
143.08566	1.2
146.07324	0.9
146.10716	0.9
159.11725	2.7
161.05971	2.9
161.09639	9.3
161.13261	100.0
162.13626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03951	0.4
53.71282	0.2
55.05257	0.4
55.05515	5.8
67.05492	0.3
69.07077	1.4
70.63062	0.7
79.05508	1.7
81.07065	0.9
83.50603	0.2
91.05489	5.8
93.07072	0.8
95.05013	0.3
98.40109	0.2
103.05481	1.6
104.06248	0.4
105.07040	15.0
107.08600	1.0
111.02108	0.3
115.05462	1.8
117.07053	2.3
118.04189	0.7
119.08589	100.0
120.08929	0.9
121.10143	2.1
128.06310	0.2
131.05032	0.3
131.08563	1.7
133.06508	2.4
133.10143	12.5
143.06099	0.3
145.10202	0.3
146.03650	0.9
146.10895	0.8
159.11758	0.4
161.05942	1.5
161.09671	1.3
161.13268	15.0
162.13605	0.3
171.23584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
51.02385	0.7
53.03946	1.5
63.02367	0.6
67.84844	0.6
71.01165	1.2
77.03930	1.4
79.05496	7.7
89.03925	48.3
90.04199	0.6
91.05494	0.7
95.04982	2.0
98.65135	0.5
103.05476	80.0
104.05769	1.1
105.04514	1.0
107.04971	9.8
110.18976	0.6
117.03387	49.5
118.03666	0.7
131.04938	100.0
132.05293	1.0
135.04427	79.0
136.04794	1.4
145.02864	42.9
145.03909	2.0
163.03917	92.1
163.07542	17.1
164.04205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
54.46204	1.0
63.02354	1.4
66.94664	1.0
71.13812	2.4
77.03920	1.8
79.05497	8.3
89.03918	61.0
91.05473	1.3
93.07038	1.5
95.04965	2.0
102.04711	0.9
102.72313	1.0
103.05470	75.6
104.05815	1.1
105.06966	1.2
107.04955	12.1
107.08569	5.8
117.03381	55.3
121.10136	3.5
131.04932	95.4
135.04420	92.4
135.05943	1.8
135.11667	2.0
136.07558	1.5
145.02852	47.2
163.03912	100.0
163.07542	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03952	2.2
63.02389	2.2
69.79653	2.0
69.80066	1.5
77.03928	1.8
79.05501	9.2
83.29487	0.6
89.03923	58.1
91.05515	1.1
95.04986	2.2
102.04636	0.6
103.05477	69.3
104.05824	0.9
105.07064	0.7
107.04970	13.2
107.08548	0.8
107.47041	0.7
108.81400	0.6
115.05491	1.1
117.03387	58.1
117.07029	1.9
118.03749	0.8
131.04939	100.0
132.05286	1.3
135.04427	91.0
145.02861	43.2
145.03905	2.0
163.03920	93.8
163.07550	50.5
164.04265	1.5
184.38602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03941	1.8
60.03604	0.5
63.02379	1.9
65.71149	0.5
66.13389	0.4
70.85870	1.2
77.03931	1.1
79.05493	8.0
89.03921	62.9
90.04260	0.7
91.05521	0.7
95.04961	1.4
103.05476	3.6
107.04956	14.2
107.57626	0.5
117.03384	58.4
118.03697	0.5
131.04909	5.3
135.04420	89.9
136.04756	0.6
145.02855	45.3
145.03918	2.0
154.33444	0.5
158.05997	0.6
163.03911	100.0
163.07578	1.6
164.04254	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
52.03178	0.3
53.03945	1.0
53.69027	0.3
69.03453	0.4
69.07057	0.4
69.61723	1.8
69.62136	0.8
77.03908	0.8
79.05500	3.3
85.02913	0.5
89.03922	16.8
91.05483	0.9
93.59153	0.4
93.86596	0.4
95.04957	1.2
103.05472	69.4
104.05827	0.8
105.06987	0.5
107.04956	4.5
107.08588	0.8
115.05460	0.4
117.03383	16.7
117.07018	1.1
131.04933	100.0
132.05270	1.3
135.04419	28.8
135.08060	1.1
136.04764	0.5
145.02853	15.4
145.03903	0.8
145.06490	0.8
163.03918	32.2
163.07547	50.0
164.07980	0.7
166.45847	0.4
175.31612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02388	0.5
52.07175	0.2
53.00298	0.2
53.03947	1.1
55.01867	0.3
63.02373	0.4
67.05507	0.3
77.03924	0.7
79.05494	4.9
81.07052	0.9
89.03401	0.4
89.03928	4.1
91.05491	1.1
93.07054	0.6
95.04980	1.2
101.11796	0.2
102.04666	0.3
103.05473	77.2
104.05804	1.0
105.04493	0.3
105.07083	0.3
107.04955	5.7
107.08620	1.5
117.02608	0.4
117.03382	4.3
117.07010	0.6
120.69964	0.2
121.10126	0.7
131.04933	100.0
132.05220	1.4
135.04424	8.5
135.08063	0.6
138.99187	0.2
142.48997	0.3
145.02863	2.9
145.10065	0.3
163.03918	12.8
163.07549	18.1
163.11217	0.6
163.14806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.05795	0.3
51.02400	0.4
53.03945	1.2
55.01853	0.4
56.96574	0.4
63.02364	0.5
68.94249	0.4
70.61190	0.9
70.61523	0.4
74.15410	0.4
77.03921	0.8
79.05502	4.8
89.03922	26.7
91.05500	0.6
95.01315	0.6
95.04982	1.0
98.21399	0.5
103.05474	80.6
104.05782	0.4
105.04522	0.7
107.04967	6.8
115.05450	0.4
117.03387	25.8
117.07027	0.7
131.04935	100.0
132.05249	1.3
135.04425	41.4
135.08002	0.9
136.04787	0.4
145.02852	21.4
145.06473	0.7
163.03914	44.1
163.07552	16.5
164.04262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02386	0.4
53.03947	1.5
55.05526	0.3
62.89135	0.2
63.02368	0.3
67.05488	0.4
69.07094	0.2
69.46338	0.8
69.46773	1.0
77.03932	1.0
79.05499	5.8
81.07074	0.8
89.03916	5.4
91.05492	1.0
93.07047	0.9
95.04958	1.5
95.08614	0.4
102.04690	0.4
103.05471	81.2
104.05805	0.8
105.03439	0.3
105.04526	0.6
105.06989	0.3
107.04958	6.9
107.08582	2.0
115.05460	0.3
117.03374	4.6
117.07027	0.7
121.02842	0.3
121.10168	0.7
122.09660	0.2
131.04932	100.0
132.02176	0.3
132.05180	1.3
133.02867	0.5
135.04420	10.6
135.08089	0.6
135.11711	0.3
136.04701	0.3
139.40126	0.2
145.02856	3.2
145.06488	0.3
145.10146	0.2
163.03911	15.7
163.07545	17.7
163.11211	0.7
163.14810	1.1
164.07977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03941	1.0
54.36230	0.3
54.53726	0.3
55.01861	0.7
55.05497	0.8
57.07074	0.3
59.49004	0.3
63.02368	0.4
67.05501	0.6
69.03421	1.1
69.07056	1.2
69.20375	2.5
69.20770	0.7
77.03934	0.8
79.05494	6.2
79.25247	0.3
81.07047	0.9
89.03923	13.9
91.05473	2.5
93.07047	3.6
95.04964	1.5
95.08639	0.3
98.21141	1.5
103.05476	13.7
105.04556	0.4
105.07044	2.5
107.04284	0.6
107.04961	7.5
107.08602	2.9
117.03387	13.4
117.07026	3.4
119.08569	1.5
121.06528	1.6
121.10163	1.3
130.07726	1.3
131.04933	17.1
132.05296	0.4
133.02841	0.4
133.06477	2.2
135.04424	23.3
135.08047	2.1
135.11679	1.7
136.04784	0.3
143.08557	0.4
145.02866	10.5
145.03934	0.4
145.10135	7.4
146.03143	0.3
147.08051	2.7
148.08839	10.3
148.10037	0.5
153.78699	0.2
163.03920	26.0
163.07573	3.6
163.11186	100.0
164.07086	1.4
164.11490	1.6
170.95171	0.3
177.05794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03946	1.3
55.01852	0.5
55.05499	1.2
57.07077	0.5
61.28064	0.4
67.05482	0.4
69.03409	1.2
69.07073	3.1
70.14651	0.4
71.15302	0.7
75.15775	0.4
77.03920	0.6
79.05495	6.0
81.07068	0.7
83.04935	0.5
83.08607	1.1
89.03920	16.7
91.05490	2.5
93.07048	6.2
95.04950	1.9
103.05466	0.9
105.07039	3.3
107.04959	8.5
107.08608	7.4
107.09310	0.8
111.92534	0.4
115.05502	0.6
117.03383	16.9
117.07027	3.4
119.08553	1.7
121.06506	1.4
121.10145	7.5
130.07811	0.7
131.04961	1.1
133.06465	1.4
135.04420	24.9
135.08041	1.8
135.11685	2.7
145.02858	13.2
145.03996	0.8
145.10120	7.8
147.08037	1.9
148.08839	10.5
148.10028	0.5
163.03918	28.3
163.11188	100.0
163.14772	2.5
164.07050	0.8
164.11514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03939	0.9
55.01868	0.7
55.05503	0.7
56.96552	0.6
65.03952	0.4
67.05511	0.7
69.03421	0.7
69.07060	1.4
69.53049	0.9
69.53463	1.5
71.04991	0.3
77.03925	0.6
79.05496	5.6
79.88135	0.3
81.07056	1.7
83.00783	0.4
83.04998	0.6
89.03922	11.0
90.04276	0.3
91.05478	2.3
93.07058	4.3
95.04973	1.2
95.08600	0.7
98.02714	0.3
98.97593	0.6
103.05473	2.9
105.07059	2.5
107.04959	7.9
107.08605	3.9
107.30449	0.3
112.13280	0.4
117.03393	11.5
117.07032	3.8
119.08582	1.6
121.06517	1.8
121.10150	1.4
130.07796	1.2
131.04933	3.2
133.06506	1.3
135.04428	18.6
135.08043	2.6
135.11697	1.3
143.08582	0.5
145.02873	9.8
145.03998	0.9
145.10130	8.5
147.08051	2.1
148.08842	10.8
161.59148	0.3
163.03925	22.9
163.07530	1.6
163.11192	100.0
163.14874	1.5
164.07077	6.3
164.11540	1.3
181.77652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
53.15984	0.3
55.01874	0.5
55.05513	1.9
63.02371	0.4
67.05497	1.0
69.03442	0.9
69.07076	3.5
69.42990	0.7
69.43399	1.8
71.33172	0.4
74.98184	0.3
77.03938	0.9
79.05057	0.5
79.05499	7.0
80.11137	0.3
81.07069	0.9
82.77773	0.3
83.04984	0.5
83.08630	1.9
89.03926	19.5
91.05475	2.3
93.07052	4.3
95.04964	1.2
98.21494	0.8
103.05466	1.6
105.04517	0.5
105.07025	3.1
107.04962	9.2
107.08604	9.5
112.28873	0.3
117.03388	17.6
117.07035	3.3
119.08593	1.1
121.06498	1.6
121.10152	10.3
128.87952	0.3
130.07770	0.8
131.04922	1.5
133.06473	1.7
135.04425	29.9
135.08063	2.1
135.11707	3.7
136.04701	0.4
145.02863	14.1
145.03931	0.8
145.10139	8.1
147.08029	2.4
148.08844	11.0
148.10037	0.5
163.03925	32.6
163.11192	100.0
163.14793	3.4
164.04204	0.6
164.07101	1.6
164.11537	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01594	0.5
53.03949	5.7
55.01864	0.8
55.05507	5.9
56.96562	3.0
57.03425	2.3
57.07065	1.4
63.02390	0.6
66.82733	0.6
67.05511	4.9
69.03424	1.4
69.06727	0.7
69.07074	8.8
70.66367	0.7
70.66696	1.2
77.03928	1.1
79.05500	23.6
81.03411	1.0
81.07059	37.5
82.01430	0.7
83.00771	0.8
83.08626	4.9
84.96058	0.8
85.02892	0.7
89.03405	1.1
89.03925	14.6
89.06035	1.3
91.05482	8.9
92.01319	0.9
92.02631	2.0
93.07045	25.4
93.07635	1.3
94.51569	1.5
95.04976	6.4
95.08610	16.9
97.10168	1.1
98.97581	3.9
100.02478	3.8
101.00758	0.6
103.05478	28.6
105.02068	0.9
105.03410	3.0
105.04508	2.6
105.07043	4.4
106.06566	0.6
107.04965	6.8
107.08600	57.2
109.06521	0.9
109.10147	1.1
110.01286	1.9
110.97571	0.6
114.02621	0.8
116.98665	1.3
117.03387	12.8
117.07005	1.4
118.03522	1.4
119.01813	3.8
119.06080	0.6
119.08577	0.9
121.10146	16.7
123.04049	0.8
127.03908	0.7
128.02313	1.5
130.06526	0.8
130.52623	1.8
131.04935	36.0
133.02861	16.1
135.04425	39.0
135.08058	2.0
135.11702	7.3
136.04739	0.9
140.00172	0.7
144.84641	0.6
145.02864	10.2
145.10106	1.4
149.27074	0.6
151.03952	0.6
155.10625	0.5
158.99672	1.0
163.03912	100.0
163.07549	9.2
163.11124	3.6
163.14825	40.4
164.04234	1.5
164.07021	1.4
164.15289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
53.03944	5.0
54.03473	33.0
55.05504	4.9
56.37229	0.7
57.07066	1.3
67.05510	4.5
67.05812	1.1
69.03407	0.9
69.07074	25.1
69.44744	4.4
69.45170	2.1
75.97167	0.7
77.03915	1.2
79.05497	20.4
81.04543	30.2
81.07059	25.4
82.05325	30.9
83.08607	5.2
91.05482	8.1
92.02637	1.1
93.07046	38.0
94.06629	0.8
95.04968	5.0
95.06093	3.0
95.08060	1.3
95.08614	20.9
97.10188	0.9
98.20748	1.5
99.04397	0.9
103.05474	23.9
105.03389	1.1
105.04499	1.3
105.07030	6.1
105.45575	0.8
107.04953	2.1
107.08598	100.0
109.06502	1.6
109.10137	1.4
117.06982	1.2
119.06081	1.7
119.08592	1.7
120.05571	1.1
121.07669	1.2
121.10149	27.1
122.07169	24.0
123.07941	15.2
131.04933	30.5
133.02885	6.5
135.04445	7.9
135.11697	14.2
136.08698	4.0
140.08183	5.8
145.06490	0.9
145.10141	2.0
146.07149	0.9
163.03920	40.3
163.07678	6.7
163.09854	26.0
163.11171	5.8
163.14825	78.2
164.04312	0.9
164.07092	2.5
177.68307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.05517	7.0
57.07087	5.4
59.64029	1.1
65.03930	1.6
67.05496	2.0
69.06725	2.2
69.07071	29.1
71.56435	1.1
77.03922	1.6
79.05496	18.4
81.07063	5.4
83.08623	12.5
85.70631	1.1
89.03919	41.7
91.05482	14.3
93.07042	30.7
93.90594	1.2
95.04972	3.2
95.08607	7.6
103.05469	11.5
105.04501	1.4
105.07040	13.8
107.04952	8.8
107.08599	92.4
109.06550	2.6
109.10180	2.6
117.03385	42.3
117.06979	1.6
119.06038	2.1
119.08592	13.0
120.09360	1.4
121.10149	100.0
123.08078	1.5
131.04930	13.0
135.04420	60.6
135.11696	45.2
145.02859	27.9
145.03978	2.8
145.10172	5.7
163.03915	66.9
163.07550	4.0
163.11205	14.7
163.14827	32.3
164.07051	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	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03938	3.2
55.05517	7.0
57.07087	5.4
59.64029	1.1
65.03930	1.6
67.05496	2.0
69.06725	2.2
69.07071	29.1
71.56435	1.1
77.03922	1.6
79.05496	18.4
81.07063	5.4
83.08623	12.5
85.70631	1.1
89.03919	41.7
91.05482	14.3
93.07042	30.7
93.90594	1.2
95.04972	3.2
95.08607	7.6
103.05469	11.5
105.04501	1.4
105.07040	13.8
107.04952	8.8
107.08599	92.4
109.06550	2.6
109.10180	2.6
117.03385	42.3
117.06979	1.6
119.06038	2.1
119.08592	13.0
120.09360	1.4
121.10149	100.0
123.08078	1.5
131.04930	13.0
135.04420	60.6
135.11696	45.2
145.02859	27.9
145.03978	2.8
145.10172	5.7
163.03915	66.9
163.07550	4.0
163.11205	14.7
163.14827	32.3
164.07051	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	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86898	1.1
53.03936	2.3
53.25456	1.0
55.01892	1.3
55.05514	8.0
57.07072	3.8
63.02365	1.7
67.05501	1.7
69.06722	1.9
69.07073	27.2
69.59892	5.3
69.60322	4.0
79.05498	21.2
81.07046	6.7
83.08616	12.9
89.03921	45.4
91.05486	12.5
93.07044	29.0
93.07959	1.6
95.04967	2.9
95.08601	6.6
98.21436	2.4
103.05474	11.8
105.07034	15.2
107.04958	12.9
107.08600	90.6
117.03386	40.2
119.08594	9.8
120.09299	1.4
121.10147	100.0
122.10518	1.5
131.04930	13.2
133.07559	1.9
135.04422	70.8
135.11691	44.5
137.87190	1.2
145.02856	33.3
145.03978	2.9
145.10135	5.0
147.09097	1.2
148.08858	1.3
159.08141	1.2
163.03914	76.4
163.07571	5.6
163.11174	19.7
163.12531	1.6
163.14828	31.1
164.07043	2.9
177.12318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	p-Acetaminobenzaldehyde
Peak:m/z	Relative Intensity
53.03930	0.5
53.24311	0.1
55.01862	0.2
55.05503	0.2
56.96548	0.2
57.03429	0.3
65.03930	0.5
67.05490	0.2
69.03436	0.7
70.15681	0.5
73.98094	0.1
77.03917	0.2
79.05493	0.6
80.05016	0.3
82.01453	1.6
83.04993	0.2
83.49184	0.1
89.03865	0.1
90.04243	0.2
91.05470	0.7
92.05019	0.7
92.05854	0.1
93.05785	0.1
93.07037	0.3
94.06581	0.2
95.04991	0.8
96.04492	0.3
100.02494	3.3
101.00896	0.4
101.02577	0.2
104.04998	3.1
105.05772	0.9
106.06564	0.3
107.05029	0.1
107.08591	0.5
108.04482	0.4
108.08871	0.1
109.06489	0.1
110.06045	0.7
115.20250	0.1
118.03545	1.0
118.06557	0.4
119.01900	0.5
119.04904	0.4
119.07317	0.2
120.08109	0.8
121.10173	0.1
122.06033	7.0
123.04047	0.5
132.04431	0.3
134.06023	1.8
135.04428	0.2
135.06764	0.1
135.11687	0.5
136.04782	0.5
136.07594	0.3
137.04727	0.4
141.04993	0.2
142.03503	0.5
146.03198	0.1
147.04395	0.8
150.05556	0.3
163.11217	1.0
164.07077	100.0
165.05490	1.1
165.07420	1.2
165.12766	0.2
180.06590	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	164.0707
Annotation	p-Acetaminobenzaldehyde
Peak:m/z	Relative Intensity
50.68845	0.2
52.99377	0.2
53.03941	0.4
53.13341	0.2
53.89552	0.2
65.03941	0.3
69.35317	0.9
69.35746	0.8
77.03933	0.2
79.05489	0.5
80.05005	0.4
84.00494	0.2
91.05479	0.6
92.04998	0.7
95.04985	0.4
97.23842	0.2
99.59666	0.2
104.05000	3.2
105.05741	1.1
108.04504	0.3
110.06046	0.8
118.06564	0.3
120.08109	0.8
122.06038	6.6
132.04445	0.4
134.06047	1.7
137.04738	0.4
150.05466	0.4
161.36792	0.2
164.07077	100.0
165.05457	0.4
165.07411	1.1
175.75841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
61.42143	0.1
65.03928	0.3
67.05515	0.3
69.03427	0.2
70.20850	0.6
71.70796	0.2
73.55803	0.1
78.03407	0.2
79.05474	0.4
80.05015	0.3
90.04250	0.3
90.48144	0.2
91.05476	0.7
92.05015	0.7
94.04099	0.2
95.04961	0.4
96.04497	0.3
100.02490	0.5
103.05440	0.2
104.04996	4.0
105.04546	0.2
105.05775	0.8
108.04476	0.3
109.06499	0.2
110.06065	0.8
118.03674	0.4
118.06521	0.4
119.07292	0.2
120.08104	0.8
120.39076	0.2
122.06039	6.3
128.63969	0.1
132.04475	0.5
134.06023	1.8
135.04465	0.2
136.04759	0.8
137.04738	0.4
146.03198	0.4
150.05519	0.5
164.07074	100.0
165.05563	0.7
165.07434	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	p-Acetaminobenzaldehyde
Peak:m/z	Relative Intensity
53.03936	0.4
56.49486	0.1
59.01361	0.2
65.03939	0.6
67.05502	0.2
69.03419	0.4
70.48610	0.6
77.03917	0.2
78.03484	0.2
79.05492	0.6
79.40357	0.1
80.05024	0.4
81.07035	0.2
82.01446	0.4
90.04269	0.2
91.05458	0.7
92.05020	0.7
93.07019	0.2
94.06573	0.3
95.04975	0.5
96.04514	0.2
99.89413	0.1
100.02483	0.8
101.51570	0.1
104.05001	3.3
104.05710	0.1
105.03390	0.2
105.04536	0.4
105.05769	1.1
106.06576	0.4
108.04487	0.2
109.06546	0.4
110.06071	0.7
118.03695	0.3
118.06547	0.3
119.04966	0.2
119.07375	0.2
120.08139	0.8
121.05289	0.2
122.06043	6.0
132.04465	0.5
133.02893	0.2
134.06039	2.1
135.04457	0.2
136.04758	0.5
136.07567	0.2
137.04753	0.3
137.06006	0.3
141.05664	0.2
146.03169	0.4
147.04410	0.3
150.05415	0.3
159.47035	0.2
164.07082	100.0
165.05511	1.7
165.07477	0.9
165.08636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01855	2.6
55.05516	7.5
57.03443	20.4
61.02932	13.8
61.05271	0.8
67.05504	1.3
69.03434	64.1
71.04999	7.0
71.10559	1.9
71.10892	0.9
73.02921	5.6
74.74692	1.0
81.03422	6.9
82.01422	1.6
82.99847	10.3
83.04987	22.2
85.02908	28.7
87.04456	3.2
89.67226	0.8
91.03947	3.3
95.04966	0.9
99.04465	12.8
100.02496	2.1
101.00888	69.0
101.02603	1.8
103.03961	4.0
111.04460	10.2
117.05507	1.4
119.01929	95.7
119.04936	1.7
120.02038	1.5
123.04441	1.4
124.02464	15.7
129.05489	9.3
137.02974	13.4
142.03510	100.0
143.03595	2.6
147.04419	2.4
147.06532	9.1
160.04575	14.1
165.05257	1.7
165.07608	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	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43184	0.5
62.67325	0.5
63.12928	0.5
65.18411	0.6
67.26480	0.5
70.77183	1.2
74.74696	0.6
80.62712	0.6
82.01435	0.6
82.99848	7.8
100.02496	1.0
101.00888	58.2
102.00980	0.9
102.33096	0.6
118.65742	0.5
119.01927	87.4
120.02037	1.0
124.02461	14.3
131.50723	0.6
137.02965	12.4
142.03505	100.0
143.03635	1.5
160.04562	15.9
165.05063	1.2
177.66811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68157	0.5
55.27473	0.4
70.23950	1.0
70.24350	1.1
82.01474	0.8
82.99840	7.9
98.21463	0.6
100.02510	1.4
101.00890	63.1
101.17708	0.5
102.00974	1.0
105.15678	0.5
111.00450	0.5
119.01929	84.5
120.01991	1.2
124.02467	16.6
137.02971	12.2
137.04028	0.8
142.03513	100.0
143.03601	1.6
160.04564	14.5
165.05141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
56.96556	0.6
57.03434	3.1
61.02924	2.0
63.21699	0.5
67.25536	0.6
68.19109	0.6
69.03433	10.0
69.64852	3.0
71.04990	0.7
73.02915	0.8
79.00831	0.6
81.03414	1.5
82.01440	0.8
82.99839	9.0
83.05002	3.1
85.02893	3.8
91.03965	0.6
99.04482	2.6
100.02469	1.2
101.00884	63.2
102.00937	0.8
111.04440	1.5
119.01923	87.5
119.44447	0.5
120.02045	1.5
123.04411	0.8
124.02448	16.7
129.05450	1.3
137.02969	11.5
140.84705	0.5
142.03502	100.0
143.03651	1.3
147.04488	0.7
147.06560	1.6
154.03897	0.8
160.04550	16.7
165.05263	0.8
165.07552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03953	5.8
55.01862	0.7
57.03432	0.4
58.27919	0.3
65.03934	0.9
66.04726	4.3
67.05513	0.8
68.99801	0.5
69.03426	1.8
69.70149	2.3
69.70557	0.9
77.03927	4.3
78.04678	1.1
79.05496	14.5
81.03415	1.1
81.07068	3.9
83.04966	0.5
91.05482	4.7
92.82385	0.4
94.04191	7.0
95.04977	5.1
95.08633	0.4
98.20687	0.7
101.00877	0.6
105.03406	6.3
105.04503	2.5
107.04958	2.5
107.08576	0.5
109.06535	9.2
119.01913	1.4
119.04968	2.2
119.08570	0.6
121.02868	2.5
122.03651	7.3
123.04370	0.6
133.02869	8.6
135.04439	4.6
137.05983	20.1
142.03481	1.4
147.04419	5.4
151.03896	0.6
165.05487	100.0
166.05817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65872	0.4
51.02391	0.6
53.03739	0.5
53.03950	6.2
55.01871	0.9
55.05514	0.6
57.03426	0.9
57.92726	0.5
65.03927	1.1
66.04722	5.2
67.05495	1.1
67.25533	0.5
69.03427	2.8
69.66226	3.2
69.66553	0.9
71.04934	0.5
74.30231	0.5
77.03934	4.3
78.04692	0.7
79.05496	13.7
79.88220	0.5
81.03430	1.6
81.07072	4.3
83.04980	0.8
85.02894	1.9
91.05479	4.8
94.04185	5.9
95.04971	5.9
105.03410	7.1
105.04514	2.7
107.04961	1.3
109.06519	8.9
111.04460	0.6
118.78719	0.5
119.01900	0.8
119.04965	3.1
119.53754	0.5
121.02879	1.5
122.03642	6.4
133.02858	9.7
135.04413	5.0
137.05988	14.7
137.61856	0.5
142.03535	0.6
147.04416	5.9
158.34718	0.5
165.05482	100.0
165.12650	0.8
166.05870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01868	0.6
55.05516	2.0
57.03438	4.8
61.02935	2.9
65.03951	1.2
67.05485	0.5
69.03437	17.5
70.82590	1.0
71.05006	1.8
73.02927	1.3
79.05501	0.8
81.03427	2.2
81.07049	1.3
81.75979	0.4
82.99835	0.5
83.04986	5.9
85.02914	7.8
87.04485	0.5
91.03974	1.0
91.05491	19.6
93.07051	0.9
95.04977	12.0
95.08637	0.7
99.04479	3.8
100.02492	0.4
101.00894	8.5
101.02641	0.4
103.03958	1.2
105.07053	0.8
107.08598	1.2
109.06536	2.4
109.10149	0.4
111.04462	2.6
119.01942	20.1
119.04955	43.2
119.08580	1.2
120.05275	0.4
121.10198	0.6
123.04456	2.7
123.08097	0.4
124.02444	2.1
129.05501	2.1
132.49585	0.3
137.02991	3.9
137.05972	1.1
142.03517	21.7
147.04428	100.0
147.11703	1.3
148.04776	1.2
149.30676	0.3
154.20177	0.3
155.75215	0.4
160.04568	5.0
165.01897	0.6
165.05415	7.1
165.07576	3.2
165.09023	0.5
165.12769	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	165.0548
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
51.02384	1.1
53.03946	6.3
55.01877	0.7
55.22911	0.5
57.03426	0.7
61.02927	1.3
65.03924	1.2
66.04724	4.2
67.05500	0.8
69.03431	3.5
71.48595	0.7
75.02309	0.5
77.03934	4.5
78.04688	0.9
79.05501	14.7
81.03408	1.7
81.07068	4.3
83.04987	0.9
85.02915	1.2
91.05481	12.4
92.05807	0.5
93.07018	0.7
94.04192	6.2
95.04983	5.8
99.04439	0.7
105.03400	6.4
105.04517	2.1
105.07019	0.8
107.04967	1.1
107.08548	0.7
108.05683	0.6
109.06519	7.7
109.10164	0.9
111.04463	0.9
119.04950	18.5
119.08561	0.8
121.02877	2.0
122.03692	5.6
123.04442	1.2
133.02855	7.6
135.04422	3.4
137.04990	1.1
137.05986	13.3
137.09599	0.6
142.03496	0.7
147.04424	41.5
150.03046	0.8
163.00844	0.7
165.05487	100.0
165.12773	1.3
166.05794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Methyl p-formylbenzoate
Peak:m/z	Relative Intensity
51.02385	1.0
53.03948	5.2
55.01868	0.8
55.05501	0.8
57.03423	1.2
57.08452	0.3
57.48702	0.4
58.84429	0.4
61.02935	0.9
65.03936	1.4
66.04720	3.1
67.05508	0.8
68.99789	0.7
69.03430	3.5
71.04987	0.5
71.48824	0.6
77.03927	2.7
79.05502	12.3
81.03419	1.0
81.07069	4.9
83.04971	1.7
85.02908	1.9
91.05486	8.1
93.07059	0.7
94.04198	7.4
95.04971	7.0
95.08587	0.7
98.20998	0.5
99.04483	0.8
101.00890	1.2
105.03411	5.7
105.04512	2.3
105.06953	0.5
107.04964	4.3
109.06526	9.1
111.04449	1.2
119.01957	2.0
119.04906	2.8
120.77394	0.3
121.02876	1.3
122.03660	4.3
123.04421	0.9
123.08044	0.5
129.05516	0.5
133.02870	5.4
135.04427	10.0
137.05009	0.7
137.05994	10.1
137.09589	0.7
142.03490	2.1
147.04427	7.1
147.06461	0.7
147.11682	0.5
149.02348	9.7
150.03139	2.8
159.15396	0.4
163.03979	0.6
165.05486	100.0
165.07422	2.9
165.12778	1.4
166.05801	1.2
181.04967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
55.05509	1.2
57.03441	3.5
61.02932	2.2
65.03931	0.9
67.05499	0.5
69.03432	11.0
70.93392	0.4
70.93732	1.0
71.04984	1.4
81.03414	1.4
81.07062	0.4
82.01434	0.5
82.99832	2.0
83.04990	2.7
83.10788	0.4
85.02902	4.1
87.04459	0.4
91.03939	0.7
91.05486	17.7
95.04953	1.8
95.08574	0.5
99.04453	1.8
100.02467	0.4
101.00887	19.6
101.02586	0.7
102.01003	0.5
103.03950	0.4
107.37650	0.4
109.06516	0.5
111.04441	1.7
119.01927	40.8
119.04946	42.3
123.04445	4.1
124.02450	5.3
129.05481	1.4
137.02962	6.7
137.05965	0.8
137.09554	0.5
142.03505	37.2
143.03635	0.5
147.04414	100.0
148.04701	1.2
160.04559	7.1
164.92006	0.4
165.05232	8.3
165.07506	2.7
165.08888	0.6
165.12828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
51.02387	1.3
53.03949	7.4
55.01876	3.3
55.05258	0.8
55.05518	11.7
57.03415	2.0
58.39254	0.6
60.78839	0.6
61.02916	2.0
65.03938	2.9
66.04718	3.6
67.05511	6.0
69.03074	1.0
69.03432	10.4
69.06779	0.6
69.07077	6.8
70.89906	1.6
77.03939	3.6
78.04723	1.1
79.05497	15.3
81.03425	8.3
81.07067	8.2
82.04214	3.6
83.04980	8.2
85.02910	3.9
91.05486	18.8
93.07051	3.7
94.04201	6.3
95.01336	44.2
95.04445	0.9
95.04977	8.3
95.08616	5.3
97.06512	1.0
98.05018	0.7
99.04457	1.5
101.00883	1.7
105.03413	8.2
105.04506	3.0
105.07047	2.3
107.04948	2.3
107.08595	1.0
109.02883	2.6
109.06517	8.6
109.10172	0.9
110.03670	16.9
111.04446	14.0
117.07047	0.8
118.46891	0.6
119.01925	2.6
119.04954	13.2
119.07797	0.9
119.08595	12.3
121.02864	1.6
121.06484	1.0
122.03657	6.9
123.04464	4.5
123.08091	6.3
124.02500	0.8
129.05450	1.4
129.06990	1.0
133.02867	8.1
135.04399	4.9
137.05988	14.1
137.09604	1.3
142.03482	3.2
147.04417	31.4
147.08023	3.8
160.04674	0.6
165.05490	100.0
165.09091	7.0
165.12691	0.9
166.05771	0.9
166.64449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
50.01590	0.5
51.02380	1.5
53.00297	0.6
53.03953	5.9
55.01880	1.0
59.91789	0.4
61.19848	0.4
65.03929	1.0
66.04727	4.4
67.05500	0.6
69.03423	1.0
71.16866	0.9
77.03934	4.7
78.04693	0.9
79.05500	15.0
79.95666	0.5
81.03418	1.2
81.07055	3.4
91.05486	8.8
93.07021	0.8
94.04189	6.1
95.04985	5.5
105.03397	8.3
105.04460	2.0
107.04952	1.3
109.06539	7.2
111.04375	0.5
119.04953	7.6
121.02880	2.0
121.06519	0.6
122.03657	7.3
123.04414	0.4
133.02864	9.0
135.04413	4.7
137.05988	12.1
147.03256	0.5
147.04422	15.8
165.05487	100.0
166.05829	0.7
182.22916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Methyl p-formylbenzoate
Peak:m/z	Relative Intensity
51.02371	0.9
51.08286	0.4
53.03951	5.4
53.47315	0.3
55.01863	0.8
55.72645	0.3
65.03928	1.2
66.04724	3.6
67.05493	0.8
69.03438	0.4
69.42160	2.2
71.55800	0.3
77.03929	4.0
78.04706	0.9
79.05498	13.8
81.03430	0.7
81.07063	3.3
91.05483	3.8
94.04190	5.7
95.04977	4.9
98.21521	0.6
105.03399	7.6
105.04469	2.4
107.04961	1.3
109.06525	8.6
119.04935	0.7
121.02853	2.0
121.68661	0.3
122.03654	6.4
123.04395	0.4
133.02863	8.0
134.03207	0.5
135.04428	5.0
137.05986	14.0
147.04433	1.3
165.05484	100.0
166.05838	1.5
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	Methyl p-formylbenzoate
Peak:m/z	Relative Intensity
51.02375	0.7
53.03945	6.9
54.58662	0.5
54.69245	0.5
55.01862	1.2
55.05519	0.6
57.03429	1.0
61.02915	0.7
65.03604	0.5
65.03931	1.3
66.04733	3.2
67.05499	1.1
69.03426	2.6
69.86162	1.8
71.04993	0.5
77.03928	3.6
77.38123	0.5
78.04730	0.9
78.25447	0.5
79.05064	0.9
79.05497	13.3
81.03412	0.8
81.07063	4.6
83.04973	0.9
85.02908	1.8
91.05478	5.3
93.07035	0.7
94.04204	5.7
95.04980	6.4
99.04519	0.8
101.00887	1.6
103.05491	1.0
105.03394	7.1
105.04524	1.8
107.04954	1.6
109.06531	9.9
111.04446	0.5
119.01917	2.1
119.04945	2.1
120.08115	13.5
121.02846	1.6
122.03651	7.7
123.04429	0.7
133.02864	9.9
135.04431	4.4
137.05986	16.2
138.73077	0.5
142.03476	2.1
147.04416	4.1
165.05487	100.0
166.05852	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.8
55.99845	0.3
56.61348	0.3
57.03454	0.4
65.03954	0.8
66.04739	0.4
67.05526	0.4
69.03441	1.8
71.10330	0.8
73.02937	0.3
73.84599	0.3
74.30968	0.3
77.03929	0.6
77.10252	0.3
78.26281	0.3
79.05503	1.2
83.04969	0.5
85.02911	0.6
91.05490	18.9
95.04973	1.4
101.00892	0.4
105.03389	0.4
109.06531	0.7
119.04956	41.8
122.03712	0.7
123.04416	1.1
129.05557	0.3
133.02809	0.4
135.04448	0.4
137.05959	0.7
138.41257	0.3
142.03542	0.4
145.10291	0.3
147.04425	100.0
148.04761	1.1
165.05502	7.0
168.28105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.45392	0.2
65.03949	0.9
69.03426	0.5
70.57748	0.2
70.95848	0.4
79.05507	0.3
85.16777	0.2
91.05485	19.7
93.10551	0.2
95.05013	1.1
109.10197	0.2
109.20368	0.2
119.04949	42.8
120.05300	0.4
123.04446	1.5
124.32562	0.2
135.04550	0.2
137.06082	0.2
143.69154	0.2
147.04416	100.0
148.04738	1.2
157.20657	0.2
165.05481	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	165.0549
Annotation	Methyl p-formylbenzoate
Peak:m/z	Relative Intensity
51.02378	1.0
51.10157	0.4
53.03951	5.4
55.01875	1.0
57.03429	0.3
61.50473	0.3
64.79640	0.4
65.03926	1.6
66.04730	3.6
67.05492	0.5
69.03420	1.1
70.39173	1.2
73.55024	0.4
77.03936	4.5
79.05500	13.4
81.03406	1.0
81.07061	3.2
81.31372	0.4
81.35094	0.4
83.05010	0.4
84.93709	0.4
85.02891	0.5
89.52193	0.4
90.66129	0.4
91.05484	5.9
93.07042	0.7
94.03613	0.5
94.04198	5.7
95.04440	0.6
95.04977	6.2
95.74590	0.3
98.79852	0.3
105.03407	8.7
105.04476	2.3
107.04977	1.5
109.06528	6.8
119.04944	1.9
121.02870	1.6
121.06509	0.8
122.03658	5.8
123.04387	0.5
133.02875	8.6
135.04417	3.4
137.05994	13.4
147.04425	4.7
147.06424	0.3
165.05490	100.0
166.05824	1.4
172.78687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
51.02385	0.9
53.03949	6.2
55.01858	0.8
55.05504	0.5
57.03437	0.5
59.63451	0.4
61.02916	0.5
65.03938	1.1
66.04732	3.3
67.05505	0.6
69.03445	3.5
69.85197	1.5
77.03936	3.7
78.04700	1.0
79.05497	11.5
81.03414	1.6
81.07058	3.2
81.25287	0.3
83.04996	0.7
85.02913	1.2
91.05488	6.9
93.07028	0.6
94.04194	5.3
95.04973	5.3
99.04447	0.9
101.00889	1.9
105.03413	5.9
105.04526	1.6
105.07037	1.2
107.04964	1.4
109.06534	7.1
111.04408	0.5
119.01933	3.1
119.04948	3.5
119.08588	0.6
119.41980	0.4
121.02905	1.9
122.02869	0.6
122.03662	7.4
123.04440	0.5
131.75513	0.4
133.02872	8.5
133.03821	0.5
133.06512	0.5
135.04427	5.0
137.05984	13.9
141.32153	0.4
142.03494	2.6
147.04419	8.0
147.06447	0.3
149.02336	1.4
150.03125	0.6
159.32722	0.4
160.04604	0.7
163.03918	0.9
165.05487	100.0
165.12828	0.7
166.05830	1.4
169.27251	0.4
181.04968	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
51.62868	0.6
53.03950	5.0
55.05521	0.8
57.03437	1.7
61.02935	1.2
65.03952	2.4
65.89940	0.5
66.04716	1.4
67.05513	1.8
68.99812	0.9
69.03434	6.7
69.48881	1.3
69.49294	2.4
71.05012	1.2
76.66331	0.7
77.03922	2.9
78.04767	0.5
78.55251	0.6
79.05501	9.6
81.03432	1.5
81.07075	4.7
83.04980	2.7
85.02917	3.3
91.05488	23.8
93.07079	0.8
94.04202	4.7
95.04980	5.4
95.08625	0.7
95.29157	0.6
99.04475	1.6
100.59937	0.6
101.00900	1.7
105.03416	4.2
105.04532	1.6
105.07084	0.6
107.04980	1.6
107.08605	1.0
109.06538	6.3
109.10153	0.8
111.04460	1.4
119.01944	1.9
119.04951	46.6
119.08604	1.9
122.03684	3.2
123.04443	2.5
123.08064	1.2
128.93791	0.6
129.05490	1.0
133.02866	4.9
133.03857	1.0
135.04428	5.6
137.05992	7.6
137.09703	0.9
142.03506	1.8
147.04422	100.0
147.11664	0.7
148.04779	1.3
149.02356	2.4
165.05490	69.5
165.07651	1.8
165.09052	4.4
165.12769	1.4
167.72491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.076
Annotation	beta-L-rhamnofuranose
Peak:m/z	Relative Intensity
53.03951	2.0
53.49704	0.7
55.01872	3.0
55.05515	9.7
57.03442	27.4
59.05005	1.2
61.02931	20.7
67.05505	1.8
69.03435	100.0
69.53586	5.0
70.03728	0.7
70.99846	1.0
71.01355	1.1
71.04994	10.2
72.30024	0.7
73.02921	7.3
75.04465	1.1
76.21283	0.7
77.59546	0.7
81.03423	10.7
81.12868	0.7
82.01468	1.0
82.99857	5.0
83.04987	32.6
85.02911	38.4
87.04464	3.8
91.03966	4.6
91.05489	1.6
95.04984	6.2
98.20776	1.2
99.04464	19.6
100.02483	1.4
101.00889	35.8
101.06004	1.0
103.03944	6.6
111.04462	19.4
117.05553	2.3
119.01930	50.7
119.04958	2.6
123.04444	8.3
124.02464	8.3
129.05499	13.2
132.10324	0.6
137.03003	6.5
142.03513	48.8
143.03726	0.7
144.03227	0.7
147.04453	2.6
147.06529	11.7
152.61967	0.7
160.04565	6.9
165.05455	2.6
165.06247	0.9
165.07594	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	165.076
Annotation	beta-L-rhamnofuranose
Peak:m/z	Relative Intensity
53.03947	2.0
55.01877	2.9
55.05514	10.5
56.96564	1.3
57.03441	25.7
58.33610	0.7
59.05006	0.7
61.02932	19.0
65.03933	1.0
67.05499	1.3
69.03433	100.0
70.02489	2.7
71.01359	1.5
71.04998	8.9
73.02927	7.6
74.92827	0.5
75.04523	0.9
79.05495	0.8
80.94987	1.0
81.03422	9.6
81.07053	1.1
82.99848	4.5
83.04986	33.0
85.02911	42.1
87.04464	4.2
91.03976	3.8
91.05487	4.5
95.04981	2.1
95.08559	0.5
99.04461	21.0
101.00888	37.3
101.06030	1.4
103.03954	7.1
105.07053	0.7
109.06551	1.0
111.04448	20.6
111.05203	1.2
117.05508	2.8
119.01930	47.3
119.04950	9.2
120.01997	1.0
121.97600	0.8
123.04453	4.4
124.02461	7.2
129.05499	13.1
133.02867	1.1
137.02969	6.9
137.06033	2.8
142.03508	49.5
147.03249	1.0
147.04422	19.1
147.06496	11.3
160.04572	8.5
165.05522	10.9
165.07614	12.9
165.09015	1.0
166.07323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0913
Annotation	Egomaketone
Peak:m/z	Relative Intensity
51.02386	1.5
53.00296	1.0
53.03950	10.8
55.01898	5.2
55.05516	28.9
57.03439	5.4
61.02919	3.6
65.03947	2.5
66.04729	2.7
67.05509	11.7
69.03078	1.5
69.03434	19.3
69.07072	13.8
70.98753	2.0
71.05017	2.0
73.02926	1.8
75.12967	1.2
77.03913	3.7
79.05495	15.5
81.02979	1.6
81.03421	17.7
81.07064	7.4
81.83440	1.0
82.04203	7.7
83.04985	18.9
85.02916	6.9
91.04902	1.4
91.05486	37.2
93.07041	8.8
94.04195	7.0
95.01337	100.0
95.04975	12.8
95.08621	9.9
97.02900	1.9
97.06518	2.9
99.04430	2.6
101.00892	2.9
103.03957	1.4
103.05477	1.1
105.03399	6.7
105.04514	1.5
105.07038	2.4
107.04977	4.2
109.02875	4.1
109.06533	7.6
109.10166	3.9
110.03671	37.8
110.60561	1.0
110.97342	1.1
111.04449	34.5
117.07059	1.3
119.01917	4.5
119.04954	26.1
119.08593	27.6
121.02803	1.7
121.06526	2.5
122.03651	5.7
123.04440	6.9
123.08081	13.1
129.05464	2.2
129.07060	1.9
133.02852	8.7
135.04427	5.0
137.05971	12.0
137.09602	4.6
142.03514	4.9
147.04424	57.3
147.06302	2.2
147.08041	9.8
165.05496	85.6
165.07706	2.7
165.09145	13.5
166.05846	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	Egomaketone
Peak:m/z	Relative Intensity
52.10580	0.9
53.00288	0.8
53.03947	8.6
55.01857	3.8
55.05265	1.6
55.05516	27.9
57.03442	4.7
58.39876	0.9
61.02916	3.9
65.03925	2.7
66.04713	1.7
67.05510	13.4
69.03433	19.6
69.07075	14.1
70.99817	2.0
71.04940	1.1
73.02906	1.1
77.03934	2.3
79.05499	11.8
81.03421	17.0
81.07056	10.3
82.04214	6.3
83.04983	21.9
85.02901	7.1
89.67454	0.9
91.05486	49.0
93.07046	8.1
94.04198	2.5
95.01334	100.0
95.04983	11.4
95.08607	11.4
97.02913	0.9
97.06506	2.4
99.04466	3.5
101.00887	3.1
103.03947	1.1
105.03403	4.2
105.04478	1.9
105.07058	4.6
107.04944	3.5
107.08614	2.1
109.02939	4.7
109.06508	5.4
109.10188	4.7
110.03667	34.8
111.04452	34.1
117.07040	2.4
119.01922	6.6
119.04950	43.8
119.08594	30.3
121.02869	1.4
121.06482	1.9
121.10159	1.6
122.03654	2.8
123.04455	8.3
123.08075	14.1
124.02459	1.2
129.05479	1.0
129.07021	2.3
133.02838	3.4
135.04469	2.2
137.05997	8.4
137.09613	3.8
142.03484	5.6
147.04420	98.2
147.08063	8.2
147.11649	1.7
159.26840	0.9
165.05495	50.5
165.07672	2.2
165.09151	11.9
165.12743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03930	7.2
55.01869	10.6
55.05270	2.1
55.05515	26.6
57.03419	5.7
65.03927	3.8
67.05180	2.6
67.05507	38.2
68.99792	89.6
69.03133	1.9
69.03432	22.7
69.07053	4.1
69.40887	15.2
69.41276	4.2
71.01369	10.4
71.05003	10.1
71.05323	2.0
77.03878	2.2
79.05497	27.0
81.03412	4.3
81.07060	100.0
83.04994	15.8
85.02878	6.0
91.05488	27.7
93.07055	19.6
95.04967	28.4
95.08041	3.1
95.08607	33.7
97.02894	11.1
97.06514	5.9
97.10149	5.6
98.21247	8.0
105.03417	1.9
105.07053	9.5
107.04935	8.1
107.08559	4.5
109.02835	2.0
109.06528	15.9
109.10156	20.8
109.80531	2.2
111.04447	11.3
117.07047	3.6
119.01913	3.1
119.04933	12.4
119.07809	2.4
119.08586	30.6
121.06516	10.3
122.03664	2.8
123.04441	34.1
123.08088	18.0
132.05751	1.9
137.05011	3.0
137.05998	6.0
137.09621	33.3
147.04428	25.4
147.08029	28.9
165.04297	2.1
165.05490	34.9
165.09111	97.5
170.09821	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.81319	1.4
53.03944	8.9
55.01882	11.5
55.05513	24.9
57.03416	6.6
57.07059	2.3
61.02930	3.9
65.03935	4.3
65.22022	1.5
66.04704	5.1
66.46804	1.6
67.05508	45.9
68.99796	82.8
69.03439	37.6
69.07055	5.0
69.42007	12.0
71.01358	10.8
71.04996	10.2
73.08647	1.7
77.03911	3.7
79.05063	2.7
79.05499	35.4
81.03057	1.5
81.03434	16.5
81.07061	100.0
83.04994	22.3
85.02897	6.2
91.05487	35.9
93.07053	21.7
94.04172	3.6
95.04968	29.3
95.08608	39.0
97.02881	7.4
97.06508	4.4
97.10152	5.8
99.04436	4.9
101.00897	4.8
103.05463	1.7
105.03410	2.7
105.04463	2.8
105.07027	11.1
107.04973	8.6
107.08591	6.5
109.00050	1.6
109.06523	25.5
109.10158	19.0
111.04456	13.0
117.07026	3.6
119.01910	7.0
119.04949	21.0
119.08585	32.8
121.06477	8.3
122.03639	2.6
123.04445	32.1
123.08082	23.7
123.11689	5.0
129.07002	3.9
133.02869	4.5
135.04411	2.5
137.05948	13.1
137.08646	2.6
137.09619	29.9
142.03487	6.9
147.04419	39.0
147.08047	27.7
149.02310	1.6
165.05492	69.9
165.07623	5.2
165.09116	88.0
165.12762	34.9
166.05864	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.07539	0.7
53.03950	7.2
53.64912	0.8
54.23743	0.7
55.01878	5.1
55.05501	2.7
57.03440	6.7
61.02934	4.6
65.03944	3.1
66.04710	2.1
67.05506	6.7
69.03433	30.3
70.73026	2.6
71.04988	2.2
73.02919	1.6
77.03936	4.0
79.05502	22.2
81.03410	3.9
81.07060	5.6
82.99851	2.3
83.04987	8.0
85.02914	12.3
87.04449	0.9
91.03971	1.3
91.05482	24.3
93.03397	2.4
93.07047	2.6
94.04209	5.2
94.04686	0.9
95.04964	10.4
95.08612	3.8
99.04449	4.5
99.17094	0.9
101.00883	15.0
103.03941	1.3
103.05471	9.4
105.03397	5.4
105.04514	2.0
105.07035	87.4
107.04936	3.2
107.08575	1.6
108.67226	1.0
109.06520	11.3
109.10158	1.3
111.04454	6.4
119.01927	24.5
119.04955	29.5
119.08588	6.5
121.02869	1.3
121.06537	1.0
122.03635	8.5
123.04437	3.8
124.02457	3.7
124.05230	3.0
129.05472	3.5
133.02887	6.7
133.06500	70.1
135.04430	4.5
137.02983	2.4
137.05984	100.0
142.03511	24.9
147.04420	60.4
147.06458	2.8
147.08003	1.9
147.11676	0.9
148.04741	1.4
150.06769	1.3
160.04578	5.0
165.05492	63.7
165.07687	2.4
165.09116	33.6
165.12773	1.1
166.05785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03944	1.6
55.01868	0.6
55.05514	4.1
56.96562	0.4
57.03443	1.8
58.65157	0.4
61.02921	1.2
61.51316	0.3
65.03941	0.9
66.04726	0.6
67.05502	1.7
69.03435	6.7
69.07066	2.2
69.77268	1.9
71.04988	1.0
73.06564	0.4
74.22650	0.3
77.03934	0.6
79.05489	4.1
81.03427	1.6
81.07061	5.0
82.99873	0.5
83.04981	2.8
83.08615	2.4
85.02906	2.4
91.03979	0.5
91.05475	3.5
91.74574	0.4
93.07039	1.2
94.04191	1.5
95.04973	100.0
95.08606	3.1
96.05310	0.8
97.06541	0.4
98.21477	0.6
99.04474	1.3
101.00889	2.6
103.03974	0.3
104.75959	0.4
105.03396	1.2
105.04499	0.5
105.07046	3.0
107.04963	0.6
107.08601	8.5
109.06524	21.9
109.10167	1.0
111.04458	1.0
119.01917	3.7
119.04938	3.1
119.08574	3.0
121.10145	2.2
122.03689	1.1
123.08070	0.7
123.11720	1.2
124.02461	0.7
124.76139	0.4
128.90019	0.4
129.05478	0.7
133.02869	1.2
135.04445	0.5
137.02922	0.4
137.05995	2.7
137.09625	1.0
137.13278	1.2
142.03506	3.5
142.18773	0.3
147.04414	7.2
147.06506	0.6
147.11697	8.5
160.04544	1.1
165.05492	20.0
165.07573	2.2
165.09105	1.6
165.12761	62.1
166.13116	0.7
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	DL-Phenylalanine
Peak:m/z	Relative Intensity
67.85120	0.2
68.86884	0.2
69.78208	0.9
72.01112	0.2
79.05499	1.1
91.05487	0.6
93.07061	1.6
98.21389	0.3
103.05476	9.3
106.51241	0.2
107.04966	2.1
120.08112	100.0
121.08437	1.1
131.04926	2.7
143.03706	0.3
149.05997	1.0
166.08653	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
52.77765	0.4
53.03938	1.6
53.07251	0.3
55.01870	0.5
55.05507	0.7
61.26520	0.4
65.03946	13.7
65.10067	0.3
66.04710	0.6
67.05508	4.4
68.99799	0.4
69.03416	1.2
69.07062	0.7
69.33257	0.6
69.33659	2.7
70.99097	0.4
77.03933	0.6
78.04717	8.7
79.05495	5.0
81.03419	0.8
81.07063	1.7
83.04969	1.9
84.96028	0.7
85.06550	0.5
91.05486	11.1
93.03414	9.4
93.07063	2.4
94.04200	0.6
95.04968	1.9
95.08586	0.4
96.05755	0.8
97.02897	1.0
97.06528	0.7
103.00648	0.9
105.03387	0.8
105.04519	0.4
106.04175	4.5
107.01322	0.4
107.04964	4.2
107.08597	1.0
108.05758	0.5
109.02895	0.7
109.06490	0.5
111.04429	1.6
111.08065	0.5
113.96497	0.3
117.34724	0.4
119.04949	2.5
121.01677	1.5
121.02885	5.7
121.06522	7.0
121.10130	1.4
122.03668	2.0
123.04432	15.0
124.05219	4.9
125.02352	3.2
125.06022	0.9
128.97789	0.4
134.03619	1.4
135.04428	1.1
137.02287	0.5
137.06000	0.7
139.02740	0.4
139.03905	1.2
139.07558	4.3
139.08524	0.6
144.03255	2.0
149.02356	7.1
149.05981	3.9
149.09616	0.5
151.03925	3.8
152.04698	19.6
167.03438	4.2
167.07050	100.0
168.07416	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02375	0.4
53.03943	1.1
55.01865	0.4
55.05506	0.4
57.03443	0.4
59.05027	0.3
61.25670	0.3
65.03941	2.1
66.04713	0.7
67.05515	0.9
69.03448	0.4
69.65154	1.2
71.04992	0.3
73.02921	0.3
75.04484	0.8
77.03928	0.7
78.04718	11.2
78.97145	0.3
79.05061	0.5
79.05499	5.6
81.03413	0.9
81.07068	4.5
83.04980	0.7
84.70798	0.3
85.06560	0.4
87.80893	0.3
91.05482	4.0
93.03406	1.1
93.07053	11.9
94.04211	0.5
95.04986	2.2
95.08598	1.9
96.05758	0.9
97.02874	0.6
97.06537	0.7
105.03407	1.1
105.04504	0.7
105.07005	2.1
106.04179	6.0
107.04970	3.3
107.08589	1.3
109.02874	1.2
109.06528	1.0
111.04474	0.4
111.08083	1.5
117.29166	0.3
119.04955	0.6
120.02106	0.4
121.02868	1.3
121.06517	3.1
121.10151	13.2
122.03679	1.8
123.04440	19.5
123.11710	1.5
124.05226	6.6
125.02348	4.1
125.05991	0.9
134.03664	1.2
135.04420	1.0
137.02333	0.4
137.05991	1.2
139.07561	0.5
139.11172	1.2
149.02351	1.3
149.05975	0.9
149.09615	2.0
151.03914	4.2
152.04698	7.5
165.05508	0.3
167.07057	100.0
167.10670	2.4
168.04218	0.3
168.07394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02362	0.4
52.03149	0.3
53.03955	1.3
54.86337	0.3
55.05497	0.5
55.64486	0.2
65.03944	6.5
66.04696	0.8
67.05502	2.8
68.99781	0.5
69.03422	0.6
69.28020	2.0
69.28417	0.7
77.03931	0.4
78.04716	12.5
79.05494	3.5
81.03407	0.7
81.07085	1.2
82.04186	0.5
83.04997	1.5
85.02909	0.4
91.05492	2.3
93.03411	5.6
93.07045	2.8
94.04179	0.5
95.04979	2.2
95.08598	0.6
96.05755	0.8
97.02894	0.6
97.06512	0.3
99.31709	0.3
105.03387	0.6
105.07012	0.3
106.04183	5.7
107.04961	2.4
107.08598	1.1
109.02865	1.4
109.06503	1.1
111.04438	1.0
111.08074	0.4
119.04947	0.5
121.02885	3.1
121.06493	1.2
121.10151	1.7
122.03640	1.7
123.04436	21.1
124.05222	6.3
125.02354	2.0
131.08559	0.7
134.03673	1.5
135.04419	1.0
137.05981	1.0
139.03886	0.9
139.07523	0.7
149.02356	4.3
149.05939	0.7
149.09615	0.7
150.03178	0.3
151.03908	4.5
152.04698	6.4
167.03400	2.9
167.07045	100.0
168.04077	0.3
168.07376	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	3-Ethoxy-4-hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02380	0.6
53.03947	2.9
55.01861	2.1
55.05505	4.1
56.96567	5.2
57.03420	0.6
65.03942	46.0
67.05176	0.9
67.05507	14.0
68.99799	2.4
69.03414	4.8
69.07071	3.5
71.04988	0.9
77.03898	0.9
78.04716	6.1
79.05060	0.9
79.05489	10.9
81.03416	2.1
81.07057	7.0
83.04979	10.8
83.08612	1.8
84.96035	5.0
84.99612	0.6
85.02875	0.6
85.06537	1.7
91.05481	10.9
92.02630	0.5
93.03410	35.1
93.07046	6.6
94.04204	1.1
95.04973	5.2
95.08576	1.1
96.05725	1.2
97.02895	3.6
97.06525	1.8
103.00647	3.7
103.01246	0.9
105.03412	0.5
105.04546	1.0
105.06996	0.9
106.04207	3.0
107.01274	0.8
107.04294	0.9
107.04961	12.3
107.08610	3.4
108.05739	1.6
109.02876	1.4
109.06514	5.0
111.04440	6.1
111.08081	1.8
119.04927	2.1
121.01675	8.8
121.02863	22.6
121.06534	8.0
121.10135	4.4
122.03659	9.8
123.04432	11.4
124.05211	6.5
125.02351	12.8
125.05997	5.9
126.02143	0.7
127.05930	0.7
128.97847	0.9
130.06430	1.6
131.08632	0.8
134.03612	1.1
135.04510	1.0
135.05539	3.4
136.06425	0.9
137.05966	1.4
139.02690	2.6
139.03876	4.9
139.07549	10.7
144.03230	9.9
149.02347	28.0
149.05962	3.6
149.09596	1.4
149.13268	1.8
150.03020	0.5
151.03902	2.7
152.04689	12.6
155.07019	1.8
162.04285	2.7
167.03415	15.8
167.07042	100.0
167.10643	2.4
167.14291	1.5
168.07330	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02371	0.9
52.56870	0.6
53.03936	2.6
55.01881	0.8
55.05498	1.9
57.03428	1.6
57.07056	0.6
59.04991	1.3
65.03940	7.3
67.05509	4.5
68.99809	0.6
69.03430	1.0
69.07072	0.9
71.57806	0.8
73.02914	1.3
75.04485	3.9
77.03947	1.3
78.04714	10.5
79.05493	12.6
81.03417	0.8
81.07061	13.3
83.04976	2.3
85.06543	1.1
91.05479	9.2
93.03413	6.3
93.07045	58.2
94.04156	0.9
95.04986	4.1
95.08610	5.6
96.05724	1.1
97.02894	1.3
97.06557	3.0
105.03391	0.8
105.04536	0.7
105.07040	6.3
106.04178	5.8
107.04955	5.0
107.08588	3.8
108.05726	0.7
109.06494	2.9
111.04436	1.7
111.08082	7.9
115.62128	0.7
119.08562	0.9
121.02869	3.3
121.06521	5.9
121.10148	50.0
121.17387	0.6
122.03639	2.2
123.04436	17.9
123.08033	1.5
123.11750	3.7
124.05222	6.5
125.02362	2.6
125.05991	4.1
131.08522	1.4
133.07625	0.9
134.03624	1.0
135.04404	1.8
137.05989	1.3
139.03882	1.4
139.07565	1.4
139.11201	4.7
149.02371	3.9
149.05960	1.1
149.09634	7.4
151.03917	3.7
152.04684	6.1
158.35519	0.7
163.61227	0.7
167.03397	2.9
167.07051	100.0
167.10655	7.8
168.07445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02386	0.9
52.05483	0.5
53.03949	3.7
55.01870	1.7
55.05507	2.6
57.03442	2.6
57.07092	0.9
59.04999	2.0
65.03946	14.3
65.63998	0.5
66.04734	0.6
67.05505	8.0
69.03434	3.2
69.07063	2.3
71.04987	1.4
73.02926	0.9
75.04487	6.8
77.03919	1.6
78.04713	8.0
79.05494	21.0
81.03413	1.0
81.07058	19.9
82.07383	0.5
83.04987	4.2
83.08615	0.5
84.96045	0.8
85.02934	0.4
85.06542	3.2
87.04476	0.7
91.05478	13.6
93.03405	9.4
93.07044	100.0
94.04189	1.2
94.07361	0.9
94.10659	0.5
95.04964	5.8
95.08607	9.1
96.05763	0.9
96.36349	0.6
97.02892	2.1
97.06549	4.1
98.25698	0.4
103.00632	1.4
103.05494	1.1
105.03410	0.7
105.04543	0.9
105.07032	10.1
105.07685	0.8
106.04156	3.9
106.07813	1.0
107.04945	8.6
107.08586	6.3
108.05770	0.5
109.02876	1.5
109.06512	5.0
109.10143	1.0
110.03706	0.5
111.04454	3.5
111.08089	16.0
111.08871	0.8
119.08588	1.4
121.01648	2.9
121.02894	6.4
121.06506	7.3
121.10143	83.5
122.03668	1.9
122.10471	0.9
123.04433	14.0
123.08043	3.8
123.11713	5.3
124.05226	5.6
125.02361	6.3
125.06009	5.3
125.09684	0.6
128.99710	0.5
130.60733	0.5
131.08580	2.2
133.07608	0.9
135.04413	1.5
137.05978	1.3
139.03906	1.1
139.07549	3.1
139.11192	6.2
144.03221	2.3
149.02359	8.3
149.06004	1.9
149.09624	12.0
149.13290	1.0
151.03951	2.7
152.04694	5.7
157.09601	0.5
159.08101	0.4
162.26773	0.4
167.03421	6.8
167.07045	67.1
167.10672	13.9
167.14310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02382	0.6
53.03949	3.4
53.50323	0.4
55.01877	1.1
55.05516	3.5
57.03440	2.8
57.07083	0.6
65.03941	6.6
66.04731	0.5
67.05501	5.8
68.99823	0.6
69.03439	4.1
69.07068	1.9
69.35262	0.4
71.04992	2.6
71.58541	0.5
73.06562	0.6
75.04483	7.7
77.03934	1.3
78.04713	9.4
78.72543	0.5
79.05494	12.8
81.03413	1.2
81.07055	7.8
83.04985	2.7
83.08628	0.7
85.02881	0.6
85.06538	1.9
91.04900	0.5
91.05480	13.5
93.03405	5.1
93.07046	100.0
94.04174	0.7
94.07358	1.0
95.04966	7.3
95.08607	7.9
96.05776	0.5
97.02897	10.0
97.06512	2.0
97.10238	0.4
103.00648	0.9
103.03962	0.5
103.05495	0.8
105.03417	0.9
105.04516	1.9
105.07029	5.6
106.04174	4.8
106.07828	0.7
107.04957	6.4
107.08594	6.1
109.02895	1.0
109.06499	1.8
109.10154	1.8
111.04449	1.4
111.08084	17.1
116.95381	0.4
119.08587	0.9
121.01657	1.1
121.02886	5.5
121.06528	5.3
121.10148	50.0
122.03634	1.3
123.04425	16.9
123.08055	1.3
123.11717	1.3
124.05254	5.0
125.02357	16.2
125.05984	1.9
125.09608	0.7
128.08092	0.4
131.08585	0.9
134.03720	0.8
135.04414	1.6
137.02348	0.5
137.05916	1.0
139.03920	1.5
139.07553	2.8
139.11180	2.0
144.03281	0.9
149.02339	4.2
149.05992	1.1
149.09633	5.0
149.13283	2.0
151.03897	3.2
152.04692	6.4
164.23289	0.4
167.03415	7.1
167.07045	81.5
167.10678	6.4
167.14334	0.9
168.07388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03939	2.2
55.01876	0.9
55.05511	6.3
56.96564	0.8
57.03439	0.8
57.07076	3.9
64.71783	0.4
65.03951	3.6
67.05504	6.9
69.03436	6.4
69.07070	3.7
69.26122	0.5
69.71845	2.9
71.04992	6.3
75.04493	0.8
77.03918	0.8
78.04713	4.1
79.05058	0.8
79.05497	11.2
81.03429	1.0
81.07067	5.9
83.04987	11.8
85.02905	0.6
85.06546	100.0
91.05486	7.7
92.02610	0.5
93.03423	3.2
93.07049	21.3
94.04211	0.6
94.07394	0.5
95.04976	4.7
95.08622	6.9
97.02895	14.2
97.06538	11.8
98.21037	1.6
99.04447	0.9
103.00629	2.1
103.05466	1.0
105.04517	1.0
105.07030	5.3
106.04179	3.1
107.04977	5.2
107.08588	9.0
108.05747	0.8
109.02892	1.2
109.06516	1.7
109.10140	1.9
111.04443	3.3
111.08083	4.4
119.08591	1.1
121.01653	3.3
121.02888	6.1
121.06515	4.2
121.10148	15.4
122.03703	0.6
123.04441	9.8
123.08062	5.2
123.11741	0.9
124.05209	4.1
125.02357	12.5
125.06007	2.2
125.09673	0.6
131.08546	2.5
133.07626	0.5
134.03670	0.6
135.04398	1.4
137.05981	0.9
137.09621	1.3
139.02809	0.8
139.03894	2.1
139.06577	0.9
139.07533	3.8
139.11169	3.9
144.03247	3.2
149.02325	3.3
149.06006	1.5
149.09612	7.2
151.03883	2.4
152.04671	3.9
162.04317	0.7
167.03426	7.8
167.07054	46.0
167.10681	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	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03950	3.5
53.33599	0.5
55.01884	1.2
55.05510	3.8
57.03440	2.8
57.07067	0.9
59.05004	1.8
65.03943	14.0
66.04713	0.5
67.05513	8.5
69.03440	3.8
69.07066	2.9
71.04996	1.6
71.57669	0.8
73.02911	1.2
75.04486	6.4
77.03915	2.1
78.04718	7.5
79.05498	24.0
81.03424	1.0
81.06580	1.1
81.07063	21.8
83.04993	4.3
83.08624	0.6
84.96013	1.0
85.06561	3.2
87.04452	0.6
88.60678	0.4
91.05482	14.7
93.03416	11.6
93.07049	100.0
94.04210	0.7
94.07353	0.8
95.04971	5.7
95.08613	10.1
96.05740	0.5
97.02893	3.4
97.06534	4.7
103.00642	1.7
103.05488	1.2
105.03406	0.8
105.04514	1.9
105.07035	10.0
106.04181	3.6
107.04971	8.6
107.08598	8.8
109.02893	0.7
109.06526	4.6
109.10168	0.9
111.04441	3.7
111.08086	14.9
119.08573	2.3
121.01682	3.2
121.02886	7.1
121.06516	9.2
121.10150	89.1
122.03625	1.9
122.10479	1.1
123.04441	14.9
123.05337	0.9
123.08063	3.0
123.11712	7.1
124.05212	4.4
124.63988	0.5
125.02372	7.2
125.06001	6.3
125.09670	0.6
131.08588	3.0
133.07635	1.6
134.03661	1.3
135.04416	2.0
137.05948	0.8
138.03079	0.7
139.02806	0.6
139.03909	1.9
139.07556	2.2
139.08556	0.5
139.11183	7.5
144.03224	2.5
149.02367	9.0
149.06013	1.8
149.07806	0.6
149.09630	12.9
149.13298	0.6
151.03903	2.5
152.04709	5.2
167.03433	6.4
167.07054	72.1
167.10681	11.8
167.14307	0.8
168.07452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.01593	0.7
53.03954	3.8
55.01877	0.8
55.05523	2.6
57.03438	2.5
59.05008	1.1
60.14225	0.4
65.03947	12.5
67.05504	7.5
69.03430	2.4
69.45777	1.9
69.46210	2.2
71.05003	1.0
75.04488	5.1
77.03957	1.7
78.04722	11.4
79.05499	16.4
80.20867	0.5
81.03426	1.2
81.07063	11.9
81.07527	0.9
83.04981	4.6
84.96053	1.0
85.06541	3.6
91.05488	16.4
93.03413	9.2
93.07050	77.4
94.04206	1.3
94.07414	0.8
95.04975	7.3
95.08610	6.4
96.05771	0.9
97.02908	1.8
97.06532	3.3
103.00634	1.4
103.05472	1.3
105.03391	1.1
105.04542	2.4
105.07046	6.0
106.04166	5.8
107.04971	12.0
107.08576	3.4
107.20298	0.5
109.02896	1.3
109.06525	2.6
109.10173	0.5
111.04454	2.7
111.08083	10.6
119.05024	0.6
119.08581	1.5
121.01673	1.8
121.02866	7.2
121.06516	14.3
121.10154	50.3
122.03646	1.6
123.04441	21.4
123.08083	1.1
123.11708	3.3
124.05230	6.5
125.02369	3.9
125.06049	3.0
131.08589	1.4
134.03658	1.6
135.04449	2.4
135.70892	0.5
137.02322	0.9
137.06003	1.6
139.03923	2.2
139.07506	1.6
139.11171	3.3
144.03288	1.7
149.02364	7.5
149.05992	1.7
149.09628	5.8
151.03914	3.1
152.04703	6.6
167.03394	6.2
167.07057	100.0
167.10677	8.2
168.04128	0.7
168.07445	1.0
175.98073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	4-Oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
53.03946	1.0
55.05522	2.2
56.96561	2.1
57.03432	1.0
57.07072	1.0
59.04991	1.7
60.69726	0.5
65.03934	2.1
67.05515	3.4
69.03400	1.0
69.07063	1.9
70.88449	1.3
71.05002	0.7
73.30500	0.4
79.05499	9.3
80.54498	0.4
81.03375	0.6
81.07065	11.4
83.04974	1.9
83.08620	0.8
84.96022	1.4
91.05489	5.3
93.03405	1.0
93.07054	25.1
95.04967	1.9
95.08036	0.7
95.08617	7.8
96.72871	0.5
97.02883	0.4
97.06546	4.1
97.10172	0.8
98.20997	0.6
103.00638	0.6
103.05444	0.6
105.07038	4.3
107.04980	1.1
107.08606	7.6
109.06527	1.9
111.04444	1.1
111.08081	3.5
116.67038	0.5
119.04949	0.6
119.08576	1.0
121.01688	2.3
121.02930	2.2
121.04657	0.6
121.06550	3.1
121.10156	54.6
122.10497	0.8
123.04431	0.8
123.05712	1.0
123.08075	1.4
123.11709	5.8
124.05222	0.5
125.06023	3.3
130.36813	0.5
131.08575	4.6
133.07628	0.8
139.07561	1.9
139.10109	0.6
139.11191	11.0
144.03157	2.3
147.03223	0.6
149.02328	5.0
149.06006	1.2
149.09634	24.8
149.13284	1.0
152.04704	3.1
162.04388	0.6
167.03404	1.8
167.07066	8.4
167.10690	100.0
168.11041	1.8
173.44638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	4-Oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
53.02517	0.5
53.03945	0.7
55.01870	2.5
55.05512	4.7
57.03413	0.7
58.02758	0.6
65.03944	3.2
67.05508	12.5
69.03438	2.6
69.07076	2.7
70.76222	1.3
71.05003	0.5
79.05054	0.7
79.05495	9.0
81.03410	0.5
81.07063	7.2
82.21912	0.4
83.04985	6.6
91.05456	1.1
93.03394	2.6
93.07049	6.3
95.04935	0.9
95.08591	1.2
97.02895	17.7
97.06524	1.3
99.04424	0.5
103.00651	0.8
105.07032	1.1
105.65862	0.5
107.04948	3.8
107.08588	2.1
110.03645	0.6
111.04465	2.0
113.18443	0.4
121.01700	1.2
121.06536	0.8
121.10170	2.2
125.06035	0.5
131.08578	1.1
139.11169	0.5
144.03255	1.3
149.07059	0.8
149.09607	0.8
167.10687	100.0
168.11041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03945	1.3
55.01876	1.1
55.05514	5.2
56.96563	0.6
57.03436	0.5
57.07077	4.2
65.03941	2.3
66.04694	0.5
67.05172	0.7
67.05506	6.9
69.03432	3.6
69.07070	2.8
71.05003	6.5
75.04472	0.5
78.04705	4.2
79.05501	6.9
81.07056	4.3
83.04993	9.8
85.06546	100.0
86.06879	0.5
91.05484	6.2
93.03400	1.7
93.07047	15.6
93.07637	0.8
95.04942	3.2
95.08595	5.8
97.02892	7.9
97.06535	12.7
98.20681	0.7
98.52073	0.4
99.04456	0.7
103.00622	1.3
103.05469	1.1
105.04539	0.7
105.07036	4.8
106.04185	3.3
107.04979	2.6
107.08602	7.8
108.05706	0.4
109.02870	0.8
109.06527	2.1
109.10156	1.6
111.04459	3.5
111.08083	2.6
116.06211	0.4
119.08581	1.2
121.01659	3.4
121.02897	3.3
121.06522	2.8
121.10150	11.4
122.03657	0.5
123.04446	7.7
123.08070	5.5
123.11732	0.9
124.05230	2.2
125.02374	3.6
125.05981	1.1
125.09628	1.3
129.06924	0.5
131.08571	1.7
134.07211	0.7
135.04407	0.9
137.09578	1.0
139.03889	1.4
139.06595	0.5
139.07533	2.3
139.11182	4.4
144.03250	1.8
149.02351	1.8
149.06015	0.7
149.09622	7.4
151.03914	1.6
151.23718	0.5
152.04726	2.1
167.03381	3.5
167.07051	41.6
167.10684	19.5
167.12103	1.0
168.07481	0.7
184.26086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03938	2.6
55.01872	1.0
55.05510	2.0
56.96568	1.1
57.03445	3.0
57.07096	0.4
60.89079	0.5
63.75628	0.4
65.03947	1.9
65.55983	0.4
67.05505	2.3
67.39658	0.4
69.03421	1.3
69.07069	1.9
70.83678	1.2
71.05010	0.6
75.04488	8.3
77.03931	0.9
77.27737	0.4
78.04722	0.5
79.05059	0.7
79.05498	10.2
81.03407	1.1
81.07059	7.0
83.04985	0.9
83.08629	0.5
84.96040	0.5
91.05483	12.0
92.00179	0.4
93.03395	0.5
93.07051	100.0
94.07357	0.7
95.04985	3.9
95.08611	2.9
97.06529	1.6
103.00648	0.9
103.05427	0.8
105.03413	1.1
105.04522	1.4
105.07042	5.8
106.12122	0.5
107.04973	2.0
107.08607	7.8
109.06500	2.5
109.10152	1.5
111.04447	1.0
111.08091	16.1
114.05192	0.6
118.36613	0.4
119.04907	0.5
119.08596	1.4
121.01693	1.7
121.02886	1.9
121.06525	1.8
121.10152	50.7
122.10497	0.6
123.04446	0.6
123.05762	0.7
123.08067	1.2
123.11711	1.4
124.05296	0.5
125.05992	1.3
125.09634	3.2
125.55945	0.8
131.08580	3.5
132.06297	0.5
139.07558	1.5
139.11183	1.8
144.03214	2.4
149.02377	1.3
149.04976	0.7
149.09630	12.8
149.13300	0.8
152.04688	1.4
153.03226	0.5
167.03412	2.5
167.05829	0.9
167.07091	5.4
167.08444	1.0
167.10707	6.3
167.14340	1.2
168.06825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.00317	0.7
53.03947	4.7
54.01435	0.5
55.01870	1.5
55.05519	5.6
57.03430	2.0
57.07073	0.9
58.50742	0.5
59.05010	1.3
65.03943	7.2
66.04718	0.6
67.05508	10.1
69.03441	2.0
69.07073	5.2
70.83697	1.5
71.04993	10.8
73.06557	3.3
75.04493	3.7
77.03928	1.8
78.04712	10.8
79.05497	15.1
80.05821	0.6
81.03402	1.2
81.07060	17.1
83.04993	4.1
83.08644	2.6
84.96033	0.6
85.02928	0.7
85.06545	2.0
89.64835	0.5
91.05481	15.9
92.05798	0.7
93.03406	4.9
93.07047	74.0
94.04198	0.6
95.04974	7.8
95.08611	24.0
96.05761	1.2
97.02881	1.5
97.06535	2.1
103.00639	0.6
103.05474	1.0
105.03401	1.1
105.04504	1.7
105.07018	4.2
106.04166	6.0
107.04963	7.7
107.08602	13.9
109.02875	1.3
109.06501	3.4
109.10155	5.7
111.04446	1.9
111.08090	9.5
119.08608	1.3
119.65147	0.5
120.02062	0.7
121.01664	0.7
121.02048	0.7
121.02873	6.9
121.06512	19.0
121.10149	38.0
122.03648	1.4
123.04440	19.4
123.08054	0.7
123.11717	3.0
124.05221	6.3
125.02367	3.4
125.05989	3.2
125.09630	0.9
131.08586	1.4
134.03609	1.7
135.04449	3.3
137.06006	1.5
139.03896	3.5
139.07527	3.3
139.11168	2.4
142.47809	0.5
149.02383	4.2
149.05896	1.4
149.09619	4.3
149.13269	7.1
151.03934	3.7
151.48906	0.7
152.04680	4.9
162.81813	0.6
167.03427	6.0
167.07048	100.0
167.10680	5.0
167.14322	4.0
168.07353	0.8
172.71320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.00297	0.8
53.03947	4.2
55.01883	2.1
55.05517	9.5
56.96580	0.8
57.03428	3.1
57.07071	1.9
59.04976	1.5
65.03613	1.8
65.03942	29.2
66.50156	0.7
67.05172	1.4
67.05505	18.5
68.99804	0.8
69.03076	1.4
69.03429	21.6
69.07069	8.3
69.83261	3.8
71.04996	14.6
73.06559	4.5
75.04489	4.9
77.03922	1.9
78.04710	9.0
79.05065	1.5
79.05494	21.7
81.03413	2.4
81.07055	26.1
83.04982	7.6
83.08612	3.7
84.96021	1.4
85.06534	3.7
90.83983	0.8
91.05486	14.4
93.02813	1.3
93.03413	22.5
93.07046	97.7
94.04191	0.8
95.04981	9.7
95.08610	37.9
97.02894	60.9
97.06530	4.6
103.00606	1.9
103.05403	0.8
105.03407	1.0
105.04507	2.0
105.07030	7.7
106.04192	4.5
106.07801	0.8
107.04961	8.9
107.08602	20.5
109.02851	2.4
109.06542	4.6
109.10159	10.9
111.04449	5.9
111.08094	15.0
111.91278	0.9
119.08593	1.3
121.01675	2.8
121.02876	27.8
121.06516	9.7
121.10151	69.7
122.03622	1.5
122.10490	1.5
123.04439	18.3
123.08083	2.5
123.11695	7.3
124.05245	5.3
125.02357	100.0
125.05955	4.4
125.09621	2.3
125.85644	0.9
131.08565	2.6
133.07588	1.8
134.03601	0.7
135.04427	2.5
137.06003	1.3
139.03928	6.3
139.07567	4.7
139.11176	5.8
144.03250	2.9
149.02351	19.7
149.05984	3.2
149.09604	10.3
149.13251	11.0
151.03972	4.1
152.04703	8.0
155.95476	0.8
162.04390	0.8
167.03413	29.5
167.07051	99.6
167.10663	10.4
167.14293	5.4
168.07368	1.1
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
53.03945	4.6
55.01873	2.8
55.05299	2.0
55.05515	17.5
57.07071	3.3
59.04999	3.4
65.03940	58.5
66.09038	2.1
67.05181	2.3
67.05508	39.9
68.08553	1.8
69.03423	4.4
69.07069	17.6
69.55047	13.9
71.04996	46.5
73.06560	14.8
73.06905	2.2
75.93468	2.1
76.67173	1.9
78.04707	8.6
79.05491	22.6
81.07063	47.1
83.04981	10.9
83.08617	7.5
85.06535	4.6
91.05499	12.7
93.03410	44.3
93.07046	47.4
95.04971	5.1
95.08611	100.0
97.02897	3.9
97.06541	4.9
105.07044	4.6
106.04149	4.0
107.04964	10.2
107.08595	41.4
109.06548	2.8
109.10150	25.2
111.04458	7.5
111.08083	5.1
121.02868	23.7
121.06507	2.7
121.10159	27.8
122.03701	3.5
123.04436	20.1
123.11699	6.8
124.05215	7.5
125.02342	15.6
133.36932	2.2
137.61281	2.0
139.03888	4.5
139.07590	3.6
149.02348	34.0
149.13266	34.3
151.03906	3.6
152.04686	9.7
161.50061	1.9
167.03444	16.6
167.05687	4.9
167.07063	98.6
167.14293	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	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.1
53.00304	2.5
53.03933	4.5
55.01874	2.0
55.05517	18.8
57.03428	3.4
57.07079	4.2
59.05005	5.1
65.03946	65.5
65.67434	1.8
67.05510	38.3
69.03424	7.3
69.07068	16.6
69.20119	8.2
69.20551	12.4
71.04994	37.0
73.06561	16.0
78.04709	6.8
79.05497	22.6
81.07063	37.8
83.04983	16.1
83.08611	5.5
85.06544	2.8
91.05478	11.9
92.10178	1.8
93.03408	47.4
93.07055	48.2
95.04987	4.7
95.08612	89.4
97.02873	4.1
97.06527	5.8
105.03421	2.1
105.04556	2.1
105.07049	4.0
106.04179	6.9
107.04964	9.0
107.08603	41.1
109.10153	23.2
111.04437	8.3
111.08105	4.4
121.01570	2.1
121.02895	24.6
121.06520	5.5
121.10151	29.6
122.03674	4.6
123.04433	14.1
123.11716	6.8
124.05222	5.8
125.02353	15.1
125.05996	2.5
134.03667	2.4
139.03891	3.5
139.07588	2.9
144.03265	2.3
145.29303	1.8
149.02345	35.4
149.13263	32.3
151.03931	3.4
152.04701	11.3
167.03444	19.3
167.07060	100.0
167.10724	2.5
167.14311	11.7
177.95372	2.0
185.02919	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96598	3.3
57.03430	6.4
61.02917	9.3
67.92507	9.5
69.03418	9.9
69.67677	21.8
73.02911	4.2
74.06078	3.3
78.83429	3.0
82.94858	27.2
83.04951	4.5
85.93562	4.4
94.06572	13.3
94.54320	3.7
97.01434	3.2
97.02907	5.8
98.06116	3.3
98.21449	6.9
98.97576	4.6
101.00881	11.1
103.00628	9.9
108.02384	3.3
109.95901	4.4
111.02958	6.1
112.07616	10.3
112.54217	5.0
113.00859	14.0
115.02451	5.5
115.54781	13.5
116.54672	4.3
118.33210	3.4
119.01955	14.6
121.01692	14.5
121.54766	16.5
122.02023	4.8
122.04844	3.3
122.06048	13.5
123.97469	17.0
126.03453	3.6
126.93825	8.3
127.02422	8.1
130.08641	4.6
131.01912	30.0
133.03462	6.9
136.55302	5.8
143.01938	4.5
144.03261	7.5
144.94818	17.9
145.03503	37.5
149.03015	6.1
150.05515	100.0
154.03499	7.8
157.03423	4.9
158.06677	8.4
159.06740	4.0
161.02972	5.3
161.53114	3.1
162.95854	12.0
163.02736	3.8
168.06535	8.5
168.10132	4.6
185.97554	3.9
188.07733	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	168.0658
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
50.51789	0.4
52.47628	0.4
53.03939	1.6
54.04282	0.7
55.01870	2.2
55.05518	5.1
56.05840	0.6
56.96568	28.6
57.03434	3.5
58.96168	0.9
59.05000	0.4
60.04506	0.7
60.95864	3.3
61.02927	2.9
65.03940	1.6
66.57722	0.4
67.05509	6.0
67.51043	0.6
67.92176	0.6
67.92514	7.3
67.93576	0.5
68.00255	0.7
68.05814	0.6
68.99784	0.6
69.03436	8.0
69.03796	0.4
69.07074	1.9
69.80285	2.5
70.03761	0.7
70.06594	1.3
70.98108	0.6
71.01354	0.7
71.04980	1.5
71.95255	0.6
72.93768	0.8
72.96078	0.5
73.02924	3.8
73.06557	3.5
74.06073	1.6
74.97607	1.1
75.01048	0.6
75.04472	0.5
75.33785	0.4
77.00800	0.6
78.04719	0.9
79.05066	1.1
79.05493	4.2
80.05020	1.0
80.05823	1.9
80.13805	0.4
81.03420	4.2
81.07070	4.0
81.80657	0.4
82.00012	0.5
82.03732	0.5
82.94378	0.7
82.94852	13.4
83.00764	0.7
83.04977	1.4
83.08627	0.5
84.01534	1.6
84.04536	0.6
84.08138	0.9
84.96028	2.4
85.02912	5.4
85.93551	1.4
87.04469	1.4
88.30599	0.5
89.00784	1.3
89.06039	1.1
91.03931	0.5
91.05479	1.3
92.05807	0.8
93.00996	0.6
93.01973	0.5
93.03408	0.7
93.07053	1.3
94.06570	13.4
94.07259	0.9
94.07404	0.9
94.54256	0.5
95.04976	1.7
95.06066	1.1
95.08627	0.9
96.01546	1.1
96.04472	1.3
96.05312	1.0
97.02901	8.2
97.06522	0.9
97.99176	1.1
98.01303	1.3
98.06037	1.3
98.96942	0.6
98.97588	12.0
99.01057	0.5
99.04453	1.6
99.08112	0.6
99.97900	0.7
100.01841	1.0
100.02467	1.1
100.95861	1.3
100.97215	0.6
100.99155	1.3
101.00816	1.3
102.01537	1.5
102.03369	1.1
102.56118	0.4
102.96888	2.3
103.00641	2.7
103.02367	0.5
104.01037	0.7
105.02049	0.7
105.03908	0.6
105.07031	1.3
106.06580	3.7
106.54217	0.7
107.04976	1.3
107.08598	1.0
108.04487	1.1
108.05276	2.2
108.08923	0.6
108.47094	0.5
109.02280	1.1
109.02888	5.4
109.06532	1.5
110.01315	1.1
110.03147	0.7
110.06075	0.9
110.97575	2.1
111.00877	0.6
111.02094	3.1
111.03804	0.8
111.04529	2.2
111.08052	0.5
112.01045	2.8
112.02821	0.7
112.07605	1.9
112.99134	1.0
113.00761	0.5
113.02548	0.7
113.05922	0.5
113.52325	1.1
114.03354	1.9
114.96841	0.5
115.00677	0.5
115.02345	1.3
115.04041	1.1
115.54778	2.0
116.00236	0.5
116.01290	0.9
116.04952	0.7
116.98630	4.5
117.00219	0.9
117.02010	1.3
117.03883	0.6
118.01099	1.3
118.02777	0.9
118.98277	0.5
119.00195	0.8
119.01851	4.2
120.02509	0.9
120.97907	0.6
121.01656	8.3
121.02380	0.5
121.03144	0.4
121.54750	1.8
122.02019	3.6
122.03018	0.7
122.06038	12.7
122.06838	1.1
122.09666	1.0
122.52873	1.4
123.02061	0.7
123.03706	0.6
123.04591	3.0
123.08050	1.4
123.97454	9.8
124.02846	0.8
124.03904	0.9
124.04705	4.8
125.01820	1.6
125.06052	0.8
126.00735	0.9
126.03202	0.7
126.05510	1.7
126.06479	0.5
126.09187	0.7
126.93789	4.7
126.97100	1.4
127.00684	1.3
127.01537	0.9
127.02450	1.5
127.03947	2.6
127.54778	0.8
128.02303	1.5
128.98613	1.7
129.02136	0.9
129.03052	0.7
130.04686	0.5
131.00183	2.6
131.01889	1.1
131.53355	0.7
132.02655	0.6
132.04375	1.0
132.96410	0.5
133.01668	1.1
133.03416	0.5
134.02295	1.2
134.99666	2.0
136.02898	0.5
136.04768	1.0
137.05989	1.2
139.02708	1.8
139.07530	0.5
140.00369	0.6
140.03401	0.6
140.07019	3.4
140.95143	0.8
141.05458	4.6
143.00133	1.2
143.01955	0.5
143.03815	1.1
144.03256	2.7
144.47272	0.6
144.53938	0.5
144.94835	7.1
144.95839	0.9
144.98106	3.8
145.01826	3.3
145.03473	10.4
145.58575	0.7
146.99611	1.0
147.01312	0.6
147.03168	3.5
149.01172	5.2
149.02959	0.5
150.05510	100.0
150.98880	0.5
151.03885	0.6
151.06027	1.2
151.07562	1.1
152.04280	0.6
153.05124	1.1
154.03856	1.6
154.59113	0.7
155.54826	0.6
156.03503	5.8
156.04822	4.2
156.55101	0.6
157.04335	3.0
158.06606	0.8
158.99673	2.1
161.01248	1.0
161.02940	1.0
161.04860	2.5
162.04344	1.0
162.95874	11.1
162.97083	1.1
162.99115	4.4
163.02843	4.7
163.04584	1.9
165.00613	0.9
165.04185	1.3
165.05469	0.6
167.02158	3.4
167.55724	0.7
167.57098	0.7
167.96417	3.5
168.03792	0.7
168.05254	2.0
168.06487	9.3
168.07462	11.9
168.10072	2.5
169.04939	2.7
169.08707	0.5
173.04871	1.4
174.04364	2.4
176.07629	0.6
177.00761	1.6
177.05960	1.1
181.00072	0.9
181.03822	1.0
185.97498	3.0
186.04405	0.7
188.07701	1.0
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	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
55.01853	0.4
55.05509	0.5
64.67343	0.3
67.05494	0.4
68.99798	2.5
69.82781	1.6
70.58641	0.3
80.02623	0.4
81.03429	0.4
81.07015	0.5
93.03401	0.4
95.04993	0.4
95.08625	0.5
97.02888	1.0
98.03667	2.6
99.04457	0.6
102.78773	0.3
109.02889	1.5
109.06501	0.4
111.00808	21.7
111.04411	0.3
125.02396	0.4
126.03142	28.2
127.48315	0.3
141.05469	100.0
142.05838	0.8
169.04976	60.4
170.05357	0.5
186.96109	0.3
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	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.59400	0.3
55.01867	0.4
57.03446	0.4
57.55067	0.3
63.89246	0.3
64.31771	0.2
65.86909	0.3
68.99783	1.7
69.89034	1.4
80.02623	0.3
81.03428	0.4
83.95198	0.3
97.02901	0.8
98.03686	2.3
98.04246	0.4
98.20800	0.4
109.02906	1.2
111.00814	22.0
118.40285	0.3
123.04417	0.4
126.03147	27.8
126.24279	0.3
141.05476	100.0
142.05779	0.8
144.19281	0.3
169.04982	56.5
170.05339	0.7
186.03552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0861
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03936	4.5
55.01865	2.1
55.05512	11.0
56.96555	3.2
57.03444	19.8
59.04987	2.2
65.03930	6.3
65.14190	1.9
67.05178	2.2
67.05510	34.6
68.29641	1.5
69.03420	2.3
69.07041	2.0
69.14994	1.3
71.04990	8.6
71.26482	2.3
79.05501	28.1
81.03427	12.3
81.07060	100.0
83.04976	2.9
85.02896	2.1
85.06542	5.6
91.05493	7.3
93.03402	2.4
93.07040	12.6
95.04961	11.5
95.08614	74.2
97.02887	1.4
97.06533	2.2
99.04461	2.0
99.08102	25.5
105.07048	14.5
105.78291	1.6
107.08577	2.3
109.02908	9.5
109.06522	97.0
111.00823	3.5
111.04441	3.8
111.08053	2.9
113.02917	1.4
123.04446	4.0
123.08071	27.6
124.04646	2.9
126.03166	9.6
127.07549	5.2
133.06540	2.0
137.05992	12.5
139.07544	72.2
141.05479	23.8
141.09052	2.0
151.03925	3.7
151.07501	8.4
169.04982	15.6
169.07281	2.3
169.08623	32.7
171.77692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
53.03941	3.9
55.01870	1.5
55.05266	0.9
55.05507	6.0
56.96562	1.6
57.03430	1.3
57.07076	1.2
59.05006	52.4
65.03931	1.2
67.05219	1.1
67.05512	11.4
68.24931	0.8
69.03441	4.3
69.07056	3.6
70.34689	2.2
70.35078	1.7
71.04996	12.5
77.03893	1.5
79.05498	23.4
81.03406	2.2
81.07064	100.0
83.04984	5.4
83.08632	1.9
85.06538	1.3
87.04473	16.5
89.06029	3.4
91.05489	10.6
93.07051	38.7
95.04975	6.4
95.08617	8.1
97.06525	2.2
98.20844	1.4
98.97598	2.9
99.08098	2.0
99.40467	0.8
105.04514	1.1
105.07036	32.8
107.08592	5.6
109.06526	17.2
109.10142	9.5
111.00787	1.0
111.08077	5.5
115.53864	0.9
116.98600	1.4
118.59383	0.9
121.06516	5.2
121.10157	6.9
123.04420	1.7
123.08070	5.2
123.11713	10.3
133.10127	10.9
137.05969	1.2
139.07544	4.6
139.11171	1.8
141.05470	3.3
146.04228	1.1
151.03891	1.1
151.11186	17.4
158.99641	1.2
160.51042	0.9
169.04961	3.7
169.08595	2.1
169.12238	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	169.1224
Annotation	(1alpha,4beta,5alpha)-4-Hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-methanol
Peak:m/z	Relative Intensity
55.01866	1.6
55.05500	3.2
56.94492	0.7
57.03426	0.8
59.05001	2.9
62.25954	0.8
62.34286	0.8
67.05506	28.9
69.03419	1.1
69.07066	2.7
69.78498	4.1
71.04989	2.7
79.05494	9.6
81.06577	1.6
81.07061	27.8
83.04988	5.5
85.06531	1.0
91.05486	24.9
93.07046	13.2
95.04964	1.5
95.08613	3.9
97.06537	1.3
105.06301	1.1
105.07033	44.6
107.08598	48.6
109.06506	4.2
109.10162	74.2
111.00768	0.9
111.08102	1.0
123.08083	0.9
123.11714	9.7
126.03099	1.0
131.08559	1.7
133.10138	100.0
134.10474	1.6
141.05455	2.8
151.11188	54.2
166.97206	0.7
168.04552	0.7
169.04988	1.4
169.12279	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	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03950	2.6
55.05511	21.0
57.07073	6.9
59.05001	6.5
61.70697	1.4
67.05511	24.4
69.03436	3.5
69.07073	12.9
69.22752	15.8
71.04994	45.2
71.08649	1.9
79.05486	13.9
81.07064	100.0
83.04994	8.7
83.08620	4.2
85.06560	4.9
89.06033	1.9
91.05495	4.4
93.07065	8.3
95.04979	6.8
95.08604	11.6
97.06535	7.8
99.08099	8.0
105.07040	5.9
107.08611	18.3
109.06519	6.3
109.10161	30.1
111.00836	3.7
111.08115	7.3
120.90462	1.5
121.10158	2.6
123.08136	2.6
123.11723	61.3
126.03159	6.2
127.23054	1.4
133.10156	6.8
136.08859	1.5
139.11176	10.4
141.05469	24.7
151.03984	1.8
151.11179	13.3
169.05028	14.5
169.07584	10.7
169.12251	14.7
172.69240	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
52.88017	1.8
53.03949	3.2
55.01865	2.7
55.05518	12.8
57.07068	8.7
59.05004	32.1
67.05174	2.9
67.05513	53.3
69.03432	39.6
69.07079	17.2
69.56496	13.1
69.56892	3.4
71.04996	28.2
71.11611	2.2
73.06559	3.5
79.05502	22.6
81.07060	100.0
83.04988	9.1
85.06551	22.8
87.04482	7.9
91.05489	28.1
93.07049	19.7
95.04957	9.8
95.08614	13.7
97.06538	54.6
98.21523	2.1
105.07039	46.4
107.08605	60.8
109.06503	21.1
109.10166	99.9
111.00780	2.7
111.08083	6.4
113.06030	4.4
121.10192	2.3
122.34743	2.0
123.08073	6.2
123.11721	48.9
126.03056	2.0
127.31062	1.9
133.10139	96.7
139.11180	6.7
141.05484	5.9
151.11194	74.4
159.06783	1.8
169.04974	6.0
169.12242	22.4
184.29041	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(1alpha,4beta,5alpha)-4-Hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-methanol
Peak:m/z	Relative Intensity
55.01864	1.2
55.05501	3.1
59.04999	2.4
59.74842	0.6
67.05509	26.5
69.03449	0.7
69.07078	3.5
69.52267	5.2
69.52587	0.9
71.04986	3.5
79.05499	8.3
81.07063	28.8
83.04987	4.7
85.06543	1.4
91.05488	23.3
93.07053	12.3
95.04971	1.1
95.08610	3.2
97.06558	1.7
97.07236	0.7
98.21243	2.8
103.28998	0.7
105.07036	43.1
107.08602	41.8
107.93797	0.7
109.06493	1.9
109.10163	73.2
110.10529	1.1
111.08105	1.2
122.91667	0.7
123.08087	1.0
123.11704	9.5
131.08614	2.0
133.10139	100.0
134.10515	1.6
141.05475	1.1
151.11198	47.1
152.11624	0.8
169.12254	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	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03944	1.4
55.01867	4.1
55.05515	10.7
57.03447	5.5
57.07074	5.2
59.05005	2.4
63.86970	1.0
65.03943	2.5
67.05510	78.8
69.03423	2.7
69.07076	11.5
69.72448	6.4
69.72794	1.7
71.05000	59.8
79.05500	21.2
81.07063	65.1
82.89410	1.1
83.04996	8.4
85.02931	1.0
85.06549	83.4
87.04492	2.7
91.05489	39.2
93.07050	18.8
95.04977	3.4
95.08604	7.1
97.06548	9.1
98.21444	2.1
98.59213	1.2
99.04425	1.6
105.07039	49.9
107.07868	2.6
107.08600	54.4
109.06533	8.6
109.10163	75.0
109.30982	1.1
110.10550	1.1
111.08079	2.4
113.06061	1.7
120.30558	1.1
121.10150	2.9
123.08093	4.7
123.11715	13.2
125.09637	1.9
131.08586	2.0
133.10136	100.0
139.11226	1.8
141.05446	2.1
151.11195	59.7
158.61359	1.1
169.12239	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	169.1224
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
51.36839	1.6
53.03940	2.6
55.01861	4.5
55.05513	13.0
57.07074	4.2
58.01107	1.7
58.29695	1.4
59.05009	32.8
67.05510	43.9
69.03436	3.2
69.07077	13.1
70.94537	3.8
71.04999	17.9
79.05497	21.5
81.03400	2.1
81.07061	88.6
83.04994	5.9
85.06554	8.9
87.04482	2.4
91.05487	23.5
93.07043	32.4
95.04983	7.0
95.08614	14.8
95.66944	1.5
97.06551	9.3
99.42890	1.7
105.06470	1.0
105.07038	41.3
107.08605	49.6
107.09296	3.3
109.06538	15.0
109.10162	100.0
111.08105	6.6
121.10194	2.3
121.59673	1.9
122.03360	1.7
123.08035	4.4
123.11718	40.4
125.09666	1.6
126.03152	3.3
131.08575	2.9
133.10139	89.4
141.05486	14.8
141.06480	1.9
141.07040	2.6
151.11191	58.8
154.07816	6.1
169.04959	9.2
169.07617	2.8
169.10094	12.6
169.12239	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	169.1224
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03938	3.1
55.01868	15.2
55.05508	5.9
57.03434	1.5
57.07069	2.8
59.05003	31.9
65.03936	1.9
67.05505	25.9
69.03427	3.8
69.07072	10.6
69.46529	11.1
71.05002	14.8
79.05488	20.1
81.03454	2.0
81.07058	100.0
83.04978	4.2
83.08618	1.5
85.06550	8.9
87.04475	2.0
91.05484	13.8
93.07048	24.9
94.50121	1.5
95.04968	6.6
95.08607	16.3
97.06542	5.1
99.08109	2.1
105.07030	21.2
107.08596	25.4
109.06515	11.8
109.10162	65.5
111.00800	3.9
111.04489	1.6
111.08080	4.7
123.04424	6.4
123.08080	7.5
123.11709	30.1
125.06016	2.9
126.03173	6.4
131.08604	1.7
133.10130	34.1
139.03961	1.6
141.05447	15.5
151.11185	27.5
164.58972	1.5
169.03667	2.3
169.04973	14.6
169.08727	2.3
169.12231	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	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03933	3.7
55.01861	2.0
55.05495	6.4
57.07054	3.8
59.05007	63.6
65.03922	2.5
67.05515	19.2
69.03423	3.0
69.07050	4.9
69.74189	5.6
69.74596	2.7
71.05001	14.7
79.05502	17.9
81.07065	100.0
83.04984	3.3
83.08615	2.3
84.88444	1.5
85.06528	5.9
87.04476	17.0
89.06037	3.6
91.05494	13.0
93.03382	1.5
93.07047	41.8
95.04973	5.4
95.08603	8.6
97.06574	2.6
98.21463	3.3
105.06397	1.2
105.07034	35.6
107.08588	17.4
109.02905	2.8
109.06534	10.3
109.10167	46.5
111.08091	7.0
121.10127	9.0
123.04450	3.0
123.08058	2.5
123.11725	26.0
125.06013	5.7
126.03125	4.4
127.11240	2.6
133.10149	30.0
139.11224	2.2
141.05449	12.5
151.11197	34.1
169.04999	8.0
169.08678	2.6
169.12241	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	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.00324	2.1
53.03951	1.9
55.01871	2.4
55.05517	20.8
57.07070	7.1
59.04993	7.5
65.03933	2.9
67.05186	1.6
67.05510	23.3
69.03429	2.5
69.07071	14.1
70.59873	1.8
70.60211	4.3
71.04604	2.6
71.05000	51.5
79.05500	16.0
81.07066	100.0
83.04989	8.8
83.08627	3.4
85.06551	2.6
89.06049	2.6
89.78491	1.8
91.05472	5.4
93.07071	10.9
94.91012	1.7
95.04984	10.2
95.08612	12.6
97.06535	8.1
98.03689	2.1
99.04457	3.1
99.08099	6.0
105.07034	6.1
107.08591	17.0
108.05780	1.7
109.02880	2.5
109.06531	11.4
109.10168	33.6
111.00817	14.4
111.08073	6.5
113.06038	3.7
121.06542	3.7
121.10152	2.4
123.04500	3.2
123.08096	3.9
123.11720	63.3
126.03149	18.8
127.07568	1.7
127.11271	2.3
133.10150	10.8
136.08841	2.1
139.11192	11.9
141.05482	56.0
151.03918	2.0
151.11192	24.6
169.04996	39.2
169.07594	23.7
169.12265	18.4
179.32465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03944	1.2
55.01872	2.6
55.05511	4.7
56.96562	1.2
57.03436	0.7
65.03943	20.0
67.05510	2.3
68.99794	7.8
69.03432	2.0
70.75680	1.4
70.94253	0.6
71.01354	0.6
71.04997	1.4
72.04517	2.9
79.01859	0.9
79.05512	2.1
81.03427	3.2
81.07062	2.0
83.04988	10.5
83.08621	1.7
85.06551	0.9
88.95305	0.7
89.07157	2.7
91.50278	0.4
93.03409	10.3
93.07034	1.6
95.04955	0.8
95.08616	1.4
96.02108	1.2
96.06884	1.5
97.02888	2.0
97.06543	0.9
97.10219	0.6
98.97582	1.7
99.04456	0.8
107.04976	1.0
107.08605	1.8
109.02910	0.9
109.06509	0.9
110.97601	0.8
111.04449	72.6
111.08077	10.1
112.04771	0.7
116.98666	0.4
117.07053	0.7
121.02976	1.1
121.03992	7.5
125.06012	1.1
125.07160	1.1
125.09629	1.3
127.03945	0.8
128.02275	0.6
128.04277	0.6
129.05424	0.6
135.08073	0.7
139.03909	100.0
140.04268	1.4
147.96593	0.5
153.05507	1.1
153.09126	2.2
156.03723	1.2
171.06480	7.8
171.07759	1.9
171.10159	1.4
171.14978	2.4
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
53.03944	1.0
55.01882	2.3
55.05511	4.2
56.96551	0.5
57.03441	0.7
65.03946	19.0
67.05505	1.7
68.99796	6.7
69.03432	2.0
69.07069	0.6
71.05005	1.1
71.32574	0.9
72.04514	1.5
79.05500	1.2
81.03423	4.1
81.07072	1.9
83.01347	0.5
83.04987	9.2
83.08620	2.1
85.06548	1.7
89.07151	1.2
91.05447	0.6
93.03415	11.8
93.07053	1.8
95.04972	0.8
95.08604	1.0
96.02102	1.0
97.02895	1.4
97.06539	0.5
98.97639	0.6
99.04489	0.6
107.08595	1.8
109.02845	0.5
109.06494	0.7
111.04448	63.7
111.08085	19.6
112.04773	0.5
121.02910	1.3
121.04002	6.9
123.08098	0.6
125.05983	0.8
125.09601	1.4
127.07591	0.5
135.08113	0.7
139.03911	100.0
140.04294	0.8
153.09099	2.9
156.03853	0.4
171.06534	8.2
171.07841	0.9
171.10121	2.3
171.14955	1.5
177.08299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0766
Annotation	N-Nitrosoguvacoline
Peak:m/z	Relative Intensity
54.03490	0.4
55.01870	0.4
55.05507	0.7
56.43151	0.4
56.96567	0.4
68.78133	0.3
69.03424	0.6
71.10344	0.6
71.10673	0.5
72.04506	1.1
72.08155	0.5
79.05502	0.6
81.04551	0.5
81.07058	0.4
83.04998	0.4
83.08620	0.5
87.04503	0.4
89.07158	0.7
95.06095	5.2
96.06879	47.7
97.02895	0.4
97.07663	6.2
98.97581	0.5
99.04402	0.4
101.00900	0.4
107.53684	0.3
110.01284	0.5
110.04057	0.3
111.04449	1.5
111.08082	3.6
112.53905	0.6
115.03943	0.6
118.03678	0.5
119.01877	0.8
125.07121	44.5
128.02316	0.4
137.02863	0.6
139.00267	1.2
139.03923	1.7
139.53253	0.4
153.06596	1.6
153.09087	0.6
171.07655	100.0
172.07925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Isoboonein
Peak:m/z	Relative Intensity
51.26948	0.4
53.03939	2.2
55.01858	0.9
55.05275	0.5
55.05514	7.3
56.96572	0.8
57.03439	2.7
65.03934	0.5
66.76575	0.4
67.05507	3.0
67.38289	0.5
69.03422	0.9
69.07081	0.9
71.05002	5.4
71.30389	0.9
72.04512	1.2
79.05520	3.2
81.03426	4.9
81.07063	5.8
81.44652	0.5
83.04984	2.1
83.08624	5.8
85.06550	9.1
89.07140	1.0
91.05493	2.5
93.07046	6.0
95.04987	0.5
95.08595	2.9
97.02867	0.5
97.06529	1.2
97.10144	0.5
99.04459	2.9
99.08083	1.2
107.08597	5.7
109.06539	2.3
111.04428	1.3
111.08088	100.0
112.08405	1.3
113.05994	1.0
123.08093	1.1
125.05937	0.4
125.09631	7.0
127.07548	3.1
129.05492	1.0
135.08069	2.4
137.03787	0.4
137.06067	0.4
139.03929	1.1
141.09120	1.4
153.09119	13.7
167.30331	0.5
171.05490	0.6
171.07932	0.5
171.10170	14.1
171.14917	1.0
181.32497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.03942	1.5
55.01884	1.1
55.05518	7.5
56.96560	0.6
56.99504	0.4
57.03449	3.1
57.07061	0.4
58.75172	0.4
62.39798	0.4
65.03934	0.6
67.05508	4.1
69.03433	1.3
69.07076	1.4
70.81738	0.9
71.05000	5.5
71.64103	0.5
72.04517	2.5
79.05501	4.3
80.09167	0.5
81.03428	4.3
81.07057	6.3
83.04990	3.5
83.08627	6.5
85.06065	0.8
85.06551	9.3
89.07156	2.0
91.05501	2.8
93.07055	8.2
95.04975	1.6
95.08599	4.1
97.06539	1.4
98.97594	1.7
99.04475	2.3
99.08097	1.5
105.07030	0.7
107.08617	10.8
109.06525	2.1
109.10148	1.0
111.04476	2.2
111.08091	100.0
112.08407	0.7
113.06034	1.0
115.05457	0.6
121.06513	1.8
122.06845	1.1
123.08051	2.0
125.06014	0.6
125.09637	7.3
127.07579	2.9
129.05489	1.4
135.08089	2.8
139.03908	1.4
141.09126	1.7
149.84857	0.5
153.09120	15.4
158.99716	0.5
171.07956	0.8
171.10188	16.5
171.14923	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.03951	1.3
55.01860	1.0
55.05516	7.6
57.03436	2.0
65.03934	0.6
67.05508	4.0
69.03425	1.1
69.07068	1.5
71.05000	5.5
71.09599	1.0
72.04520	2.0
74.55980	0.5
79.05108	0.6
79.05506	4.6
81.03437	5.0
81.07064	9.7
83.04981	2.0
83.08628	6.1
85.06552	11.5
89.07166	1.6
91.05482	2.1
93.07052	6.3
95.04977	0.9
95.08600	3.3
97.06537	1.4
97.10206	0.7
97.81326	0.5
99.04459	2.3
99.08089	1.2
100.43973	0.5
105.07040	0.6
107.08607	10.0
109.06524	3.2
109.10162	1.2
111.04506	2.5
111.08089	100.0
112.08403	0.8
119.06100	0.6
123.08067	1.6
125.09643	7.2
127.07539	2.9
129.05469	1.5
135.08061	2.2
139.03922	2.1
141.09140	1.0
153.09119	14.2
171.10188	14.5
171.11613	0.6
171.14944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
50.29856	0.4
53.03960	0.5
55.05519	1.3
58.33950	0.4
59.31077	0.4
63.89587	0.4
69.31610	4.1
71.04984	0.4
72.04535	1.3
74.55639	0.5
79.05499	5.3
89.07140	1.1
91.05482	3.3
92.45214	0.4
93.07039	1.4
94.69346	0.5
95.05033	0.7
97.13955	0.5
97.21869	0.4
98.20831	1.6
103.05474	0.9
105.07037	6.3
107.08654	0.6
115.05459	3.7
117.07003	0.6
128.06229	28.9
129.07027	17.4
130.07802	2.6
131.08595	1.7
135.11769	0.8
141.06996	17.1
142.07793	19.4
143.08569	83.1
144.08969	0.8
145.06464	1.0
153.06995	1.1
154.07854	0.7
155.06094	1.4
155.08530	4.5
156.09357	82.6
157.09717	1.4
169.10176	1.1
171.08061	3.7
171.11699	100.0
172.12042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05516	2.9
56.96570	0.8
69.07089	1.4
72.04510	3.5
72.36258	0.6
79.05499	4.8
81.03403	0.6
83.08630	1.1
89.07163	2.4
91.05478	3.1
93.07049	1.6
95.05004	1.2
96.12467	0.5
103.05472	0.9
105.07039	6.3
105.25376	0.5
107.08604	0.9
107.09381	0.6
108.70218	0.6
111.04398	0.8
114.22835	0.6
115.05436	3.5
117.07061	0.8
128.02386	0.6
128.06229	32.5
129.07018	21.0
130.07787	2.4
130.52567	0.6
131.08537	1.6
133.49193	0.5
139.53156	0.6
141.06995	18.7
142.07793	21.4
143.08568	88.6
144.08951	1.1
145.06476	0.9
153.07095	0.9
154.07855	0.5
155.06065	2.0
155.08571	5.0
156.09355	79.8
157.09729	1.1
169.10271	0.8
171.08124	6.7
171.11696	100.0
172.08818	0.9
172.12047	2.0
172.29527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.117
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03958	1.1
55.05527	2.1
56.96575	0.7
67.05525	0.8
69.07083	1.5
71.16649	0.7
72.04511	4.0
79.05511	4.0
81.07082	1.1
83.04977	0.6
83.08656	1.0
89.07185	2.5
91.05481	1.8
92.00127	0.7
93.07077	0.8
95.08614	1.8
97.06557	1.0
103.05447	0.9
105.07047	6.1
107.08649	1.0
109.10166	1.7
110.97601	0.9
111.08089	0.7
115.05466	2.2
128.06230	18.9
129.07027	10.0
130.07765	1.6
131.08588	1.3
135.11713	1.4
141.07002	15.5
141.08093	0.8
142.07797	14.3
143.08571	56.1
144.08900	1.1
153.07031	0.8
153.12788	1.0
155.06056	1.9
155.08583	4.9
156.09360	100.0
157.09741	0.8
169.10196	1.5
171.08009	2.3
171.11702	93.3
172.12083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.27844	17.1
54.71407	19.2
59.67390	19.2
60.73686	20.9
62.41337	17.9
69.07066	39.2
70.94885	41.6
71.05003	69.5
72.04524	33.5
79.05486	36.5
80.13648	18.6
81.07057	100.0
93.07055	57.6
94.11946	19.4
94.50001	18.3
95.08576	20.6
107.08572	38.4
135.11707	50.3
153.12726	22.9
171.11719	26.1
171.15001	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1382
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
52.61470	1.0
53.03933	1.4
55.01883	2.5
55.05262	1.8
55.05516	28.2
56.96569	5.4
57.03435	4.5
57.07076	9.4
58.70585	1.0
59.04993	2.9
63.61336	1.1
67.05513	14.1
69.03432	2.0
69.07075	100.0
71.04994	6.2
71.08633	2.5
71.57314	1.1
72.04205	1.1
72.04523	13.2
73.02911	1.4
73.06544	1.7
74.67374	1.0
79.05499	11.5
79.05919	1.8
80.01746	1.0
81.07064	15.8
83.04988	7.5
83.08144	1.3
83.08626	25.1
85.02891	1.7
85.06525	2.2
87.04459	1.4
87.08081	1.2
89.07170	11.3
91.05474	2.7
93.07059	23.8
95.08611	18.4
97.06545	24.0
97.10175	3.7
98.97572	2.5
99.08075	2.0
101.00777	1.5
101.06004	2.0
107.08607	25.4
109.10178	10.2
110.01287	1.1
110.97614	1.3
111.04445	1.7
111.08096	5.8
111.11741	10.0
113.09628	1.1
115.07538	1.7
119.01788	2.9
125.05954	1.0
125.09629	2.1
125.52794	1.0
128.02357	2.9
128.06215	4.1
129.06979	2.6
129.09109	1.2
132.24472	1.0
135.11705	38.4
137.02858	1.6
139.03920	1.2
139.53091	2.6
142.07793	1.3
143.08571	5.5
153.05417	1.2
153.12767	21.2
156.09367	5.3
171.06622	1.6
171.07997	2.4
171.10321	1.6
171.11699	8.1
171.13695	1.5
171.14981	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	172.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	14.6
55.05503	3.9
56.96302	2.8
56.96567	52.0
57.03440	29.2
59.04999	2.5
59.62323	2.8
61.02924	12.8
67.05491	3.3
69.03408	11.4
70.06586	8.5
70.34200	3.6
70.34544	8.4
70.98106	4.0
70.99895	3.0
71.01353	8.3
71.04985	8.6
71.95271	2.6
72.08164	4.1
73.01418	3.5
73.02909	15.9
78.52950	3.0
81.03411	4.4
81.96045	3.0
82.01465	13.1
82.99845	5.0
83.04961	5.9
84.04501	13.5
84.08134	11.0
85.02907	18.9
89.00811	4.0
91.02444	4.0
91.05449	2.4
97.01393	4.3
97.02888	9.7
98.01294	8.1
98.51459	5.3
98.97587	100.0
99.04447	3.6
99.97926	3.2
100.02486	21.3
101.00892	33.8
101.02435	4.0
102.00938	4.4
102.01540	4.4
103.00608	7.1
103.01325	4.1
103.03967	3.7
107.01836	2.8
109.01356	4.7
109.02879	8.9
109.51418	4.5
110.01250	6.9
110.02052	3.5
110.54016	2.6
110.97557	5.5
111.02054	5.6
111.02934	2.6
112.19045	3.0
112.99109	8.4
113.00884	10.0
113.03469	10.8
114.04025	11.4
114.05579	3.6
115.02418	12.1
115.03951	7.5
116.98622	39.4
117.01975	2.6
118.03531	4.6
119.01915	38.2
119.51923	3.4
120.01987	4.6
121.01667	5.6
121.06483	8.9
122.06789	3.6
124.01752	3.4
125.01762	4.2
126.09146	14.0
127.02420	4.2
128.02286	3.1
128.07062	4.0
128.98630	4.7
129.03085	3.3
129.03967	5.9
131.00146	11.5
131.01894	19.2
132.05092	5.5
133.03490	15.4
133.05002	6.4
134.99664	10.3
136.06442	2.5
137.02885	2.7
142.03500	12.0
143.01884	7.9
144.02029	3.0
145.03432	6.9
146.99605	2.7
148.02718	3.1
149.01189	7.0
149.03734	7.6
149.04742	2.9
149.10510	6.7
150.98157	7.9
151.04520	3.6
154.03461	7.1
154.07619	5.5
155.01852	4.6
157.03487	8.0
159.70703	2.5
160.02582	10.8
160.04608	7.5
161.02869	5.5
168.99219	26.1
169.03284	4.0
172.04568	6.0
172.09695	9.7
172.10999	2.9
172.13275	9.0
173.02924	7.2
175.04524	4.2
177.00781	3.6
177.02393	3.9
185.02989	7.1
187.00269	56.4
191.03914	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	172.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93842	2.0
55.05514	3.5
56.96564	3.2
57.07077	0.5
59.05008	0.8
66.58710	0.5
67.05498	0.9
69.03413	1.0
69.07076	0.5
69.96181	19.1
70.09844	2.3
71.94112	5.3
72.93796	6.9
72.94895	0.8
73.06563	1.5
81.07043	0.7
82.01450	0.8
82.99870	0.6
83.04983	1.8
83.08624	0.5
90.94836	6.4
95.05022	0.5
98.97593	7.7
100.02503	1.2
101.00873	5.4
101.02613	0.8
101.06032	1.5
102.02186	0.5
108.95866	0.9
109.06503	0.5
110.98782	3.0
111.04465	3.9
111.98399	0.6
112.99158	0.8
113.00851	0.9
113.95111	6.6
113.96382	1.1
114.04093	0.9
116.98633	4.8
119.01939	12.3
124.02504	0.8
129.05551	0.6
129.09201	0.6
131.00182	1.5
131.01909	3.7
131.08592	1.0
131.96159	100.0
132.05092	1.9
132.95827	1.1
133.03470	0.7
134.99654	1.3
137.03017	2.3
138.09779	1.1
138.51610	1.4
141.95680	1.0
142.03488	4.0
143.01907	0.7
145.03493	2.0
145.10098	0.9
147.97444	0.7
149.01289	0.6
149.10510	1.9
149.60631	5.0
149.96193	3.6
149.97211	85.3
150.06140	1.1
150.10458	2.2
150.60587	0.5
150.96860	0.8
154.97745	20.3
155.01941	1.2
155.07033	2.6
157.03467	0.5
158.61160	1.6
159.05058	0.9
160.04593	0.7
161.02972	1.8
167.97124	1.6
167.98361	3.4
172.98830	21.8
173.02922	3.1
173.06613	2.6
173.08150	3.1
173.13251	1.5
174.06180	0.8
191.04086	1.2
191.07683	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	173.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
53.08058	0.2
55.05514	1.7
56.96572	0.7
60.04539	0.4
67.05515	0.5
69.35949	1.0
69.36377	1.0
72.93800	0.4
79.05502	0.8
81.07061	0.8
83.04997	1.4
83.53983	0.2
84.04515	0.3
85.02906	0.4
85.06533	0.3
90.90441	0.3
90.94839	0.4
91.05492	3.3
93.07066	0.3
97.02896	0.9
98.20839	0.4
98.97568	0.3
101.06006	1.3
103.05492	0.7
105.07043	10.1
107.01827	0.4
111.02089	0.3
111.04451	2.2
113.06034	0.3
114.05497	0.2
115.05459	2.5
116.06236	0.6
117.07033	4.7
118.06566	0.5
119.08588	1.0
127.07520	0.4
128.06224	1.4
129.05557	0.3
129.07016	4.7
130.07808	7.5
131.00203	0.3
131.04950	0.7
131.08582	11.5
131.93018	0.3
132.05754	0.5
133.06416	0.2
143.08583	3.7
144.05705	1.0
144.09351	0.8
145.06516	5.5
145.10136	28.1
146.10492	0.4
149.94086	0.3
153.07010	2.2
154.07741	0.8
155.03357	0.4
155.05968	0.5
155.07098	1.2
155.08563	13.2
156.08914	0.3
157.06526	1.9
158.07288	39.9
158.10889	3.1
159.07648	0.5
173.09634	100.0
173.13229	11.5
174.07585	0.7
174.09999	1.3
177.85789	0.2
183.09183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0963
Annotation	Palutropone
Peak:m/z	Relative Intensity
54.13604	0.3
65.48483	0.3
67.05508	0.5
69.66584	1.6
69.66990	0.7
71.92950	0.4
83.04996	0.5
91.05502	2.0
95.04956	0.3
98.27905	0.4
101.06038	0.4
103.05476	0.6
105.06378	0.7
105.07037	8.7
107.04945	0.6
111.04432	0.6
115.05470	3.0
117.07020	4.8
128.06206	1.3
129.07013	3.8
130.07796	6.8
131.04939	0.9
131.08586	2.2
132.05708	0.3
140.06270	0.5
143.08600	2.4
144.05733	1.3
145.06496	5.2
145.10129	28.1
153.06984	2.4
154.07802	1.0
155.06041	0.5
155.08566	13.7
157.06479	1.9
158.07283	44.8
159.07666	0.5
172.08876	0.6
173.09633	100.0
174.09988	1.4
183.09174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0963
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03959	0.8
55.05510	1.6
56.96571	0.4
59.04998	0.4
61.65783	0.2
62.92751	0.2
67.05511	0.4
67.70862	0.3
69.03454	0.4
69.47213	1.8
69.66206	0.3
72.93781	0.5
79.05493	0.9
79.81830	0.3
81.07078	0.7
83.04984	1.2
84.04521	0.3
85.02885	0.3
90.90366	0.4
91.05473	2.8
97.02895	1.2
98.97594	0.4
101.06035	0.8
103.03166	0.3
103.05441	0.3
105.07037	10.9
111.04441	2.2
114.05499	0.5
115.05447	3.0
116.06214	0.8
117.07022	5.7
118.06479	0.3
119.08595	0.9
128.06203	1.3
129.05551	0.6
129.07013	4.9
130.07787	7.3
131.04916	0.5
131.08575	9.5
133.10139	0.3
143.08572	3.2
144.05676	1.2
144.09329	0.9
145.06491	4.9
145.10127	31.2
146.10422	0.3
149.93961	0.4
149.96048	0.3
152.06152	0.3
153.06999	2.7
154.07791	0.9
155.05983	0.6
155.07121	1.2
155.08548	12.9
156.09183	0.3
157.06502	2.0
158.07274	40.7
158.10880	3.6
159.07639	0.7
173.09622	100.0
173.13206	11.2
174.07631	0.5
174.09941	1.7
183.09204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.05511	1.7
56.96560	1.8
65.03931	0.6
66.97976	0.4
67.05511	1.8
71.57869	0.4
72.93790	0.4
79.05498	1.3
80.05842	0.4
81.07053	4.0
83.05000	2.3
86.95479	0.4
91.05482	9.2
91.06004	0.7
93.07065	1.4
95.08628	0.5
101.06043	1.6
103.05502	0.7
105.03285	0.4
105.07040	14.1
107.08607	0.5
110.33636	0.5
111.04456	3.3
115.05455	2.6
116.06232	1.9
117.07029	5.7
118.06551	0.6
119.08587	9.6
127.07565	0.5
128.06265	1.6
129.07014	7.8
130.07788	4.3
131.08577	72.7
132.08899	0.8
133.10139	1.6
141.07001	0.6
142.07796	0.9
143.07660	0.3
143.08568	15.0
144.09354	6.5
145.06525	3.0
145.10133	36.3
153.07008	1.3
155.07089	1.4
155.08572	5.3
156.09370	0.7
157.10190	1.0
158.07289	16.2
158.10928	23.4
171.11676	2.0
173.08221	2.8
173.09642	38.1
173.13271	100.0
174.10008	0.7
174.13579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03931	0.5
55.05512	3.5
55.39098	0.4
56.96573	2.2
59.04986	0.7
67.05503	2.3
69.03454	0.5
69.07069	0.7
69.42757	3.0
69.43161	1.0
72.93771	1.6
75.30183	0.4
79.05483	2.1
79.63212	0.4
81.07066	3.5
83.04977	4.1
86.33269	0.4
90.90370	1.3
90.94806	1.1
91.05477	6.2
93.07032	1.7
95.08597	0.7
98.01263	0.7
98.97573	1.0
101.06036	3.9
102.05299	0.4
105.07029	8.0
109.10133	1.2
109.52242	0.5
111.04437	5.5
113.02376	0.4
113.96406	1.1
115.05452	1.7
116.06214	1.7
116.98621	0.5
117.07028	4.3
118.06541	1.2
119.08585	10.2
120.02573	0.7
121.96323	0.4
125.87883	0.4
127.07529	0.6
127.53711	0.4
128.05028	0.4
128.06233	0.9
129.03081	0.8
129.05479	1.5
129.06998	6.2
130.07805	2.9
131.08571	43.3
131.92981	0.6
133.10126	2.6
142.07761	0.8
143.08553	15.7
144.09354	7.9
145.06438	1.3
145.10126	28.5
146.06041	0.6
146.10434	0.6
149.94061	1.3
149.96112	0.9
155.03392	0.6
155.07022	4.4
155.08565	1.4
156.09274	0.9
157.10127	1.4
158.07327	3.7
158.10912	32.6
159.11259	0.6
171.11699	1.8
173.05983	1.3
173.08128	6.3
173.09631	9.3
173.13261	100.0
174.07716	0.7
174.13594	1.6
177.26382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03963	0.5
55.05515	2.3
55.96182	0.5
56.96574	1.6
57.07072	0.6
58.49151	0.5
65.03936	0.5
67.05512	1.8
69.07069	0.5
69.90680	1.1
69.91072	1.2
71.71245	0.5
79.05505	2.2
81.07055	4.0
83.04996	1.9
90.90418	0.6
91.05489	8.2
93.07059	1.7
101.06014	1.8
103.05511	0.7
105.07040	11.6
111.04415	3.3
115.05472	2.0
116.06229	2.7
117.07029	5.3
118.06593	0.7
119.08595	7.3
128.06197	1.6
129.05547	1.1
129.07031	8.3
130.07787	3.9
131.08583	78.1
132.08893	1.2
133.06534	0.7
133.10144	1.2
142.07680	0.7
143.08569	12.5
144.09364	7.2
145.06490	2.6
145.10144	32.3
153.07024	1.1
154.07834	0.5
155.07072	1.9
155.08594	4.0
156.09430	1.1
157.10136	1.1
158.07292	12.5
158.10933	25.0
171.11749	1.6
173.05977	1.0
173.08160	3.9
173.09642	28.3
173.13281	100.0
174.13669	1.5
176.42427	0.5
180.07451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60508	4.5
55.01873	4.8
56.45499	4.4
56.96573	5.0
57.03423	8.2
60.05641	9.8
61.02925	7.6
69.03417	11.9
69.58857	33.8
70.06582	21.2
83.04999	7.2
85.02894	17.9
87.04470	12.4
91.05462	11.3
95.04963	5.9
97.02879	22.8
98.98474	33.6
103.90462	6.2
105.07010	8.8
109.19908	4.7
111.04450	19.6
115.03935	8.6
115.05434	6.0
115.59349	5.2
116.07094	9.3
116.97177	5.8
119.04971	7.1
119.08566	14.0
127.03915	19.6
129.05505	8.5
129.07013	7.9
130.06540	100.0
132.04468	77.1
133.10144	11.3
139.03915	9.8
144.05713	9.4
146.71011	5.8
147.04425	11.9
147.06256	5.3
147.08055	6.0
150.96875	5.5
157.07634	53.5
158.06026	91.1
175.03705	19.5
175.06036	11.5
175.07288	31.6
175.08714	21.0
175.11859	5.9
175.14835	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	175.0392
Annotation	Lawsone
Peak:m/z	Relative Intensity
53.00314	7.0
53.03957	0.8
55.01877	0.9
55.05512	0.6
57.03437	1.3
60.05670	0.5
61.02948	0.9
65.03943	6.0
67.05512	0.8
69.03437	1.7
69.07078	1.3
70.06597	0.8
71.55850	0.7
79.05505	1.4
81.03442	0.5
81.07070	1.5
83.04980	0.7
85.02910	0.8
87.04493	0.7
91.05488	58.1
93.07063	0.4
95.04977	1.1
95.08617	1.0
97.02894	2.3
98.98476	3.5
103.05480	5.7
105.03428	1.2
105.04501	0.5
105.07049	3.5
107.04983	0.7
107.08574	0.5
111.04451	1.1
115.03939	1.7
115.05466	2.2
117.07023	1.0
118.06563	0.6
119.04954	37.6
119.06800	2.4
119.08585	5.9
123.04439	2.0
127.03957	2.7
128.06154	0.5
129.07018	1.1
130.06531	4.8
131.04941	2.1
131.06895	7.7
131.08548	0.9
132.05745	0.7
132.95827	0.6
133.10143	5.9
137.76170	0.5
139.03912	1.0
143.04942	0.8
144.05739	0.6
147.04420	100.0
147.11699	1.1
148.04749	1.1
157.10185	0.6
160.05205	4.2
174.64928	0.5
175.03926	23.8
175.06030	0.8
175.07497	8.3
175.11218	1.9
175.14836	5.9
177.42923	0.4
193.04964	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	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.00308	3.4
55.01871	0.7
55.05513	0.5
56.96573	1.7
57.03431	0.6
59.05005	0.4
60.05671	0.4
65.03947	4.0
68.99763	0.4
69.03446	1.1
69.07097	0.7
70.06598	1.3
71.32104	0.6
77.03924	0.4
79.05496	1.1
81.07068	2.2
83.04996	0.8
85.02908	0.8
91.05488	37.6
93.07046	1.3
95.04966	0.4
95.08595	0.6
97.02923	2.1
98.98476	5.8
100.04655	0.4
103.05478	4.4
104.06264	0.9
105.03414	1.0
105.07049	2.2
107.08614	0.9
109.50912	0.5
111.04455	1.3
114.05120	0.4
115.05463	34.5
116.06296	2.3
116.06974	0.4
117.07029	8.0
119.04955	24.9
119.08578	3.2
123.04433	0.4
123.05714	1.0
125.02327	0.5
125.55972	0.7
127.03947	1.1
128.06233	1.1
129.07010	3.3
130.06548	0.7
131.04935	2.9
131.08511	0.4
132.05705	6.1
133.10136	2.6
134.56474	0.9
135.11655	0.4
142.04128	0.6
143.04936	9.7
143.57022	0.6
144.05714	11.6
145.06480	1.2
147.04419	60.4
147.08040	3.9
148.04776	0.9
155.06070	0.8
157.06538	0.5
160.05211	62.3
161.05725	1.4
165.05502	0.4
173.06487	0.4
174.06868	0.5
175.03983	14.6
175.07555	100.0
175.14787	3.1
176.07927	1.4
193.04994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.90496	0.4
55.01885	0.4
55.05540	1.0
55.21840	0.4
56.01082	0.4
61.18525	0.4
69.07086	2.4
71.58473	0.7
72.87171	0.5
77.63813	0.4
79.05505	0.6
81.07089	1.5
81.92744	0.4
83.08673	0.6
85.02921	0.8
91.05486	3.8
93.07104	0.6
95.08645	1.5
97.02923	1.1
98.98464	8.1
103.05490	0.8
104.06260	1.0
105.03432	0.7
105.07034	5.0
105.56190	0.5
106.25323	0.5
107.04962	0.6
107.08589	1.0
115.05457	44.0
116.06264	1.9
117.07039	9.1
118.04241	0.5
119.04992	0.7
119.08585	11.0
127.03943	0.8
127.81181	0.5
128.06227	2.4
129.07007	3.2
131.04916	2.5
131.08517	0.5
132.05734	6.6
133.10132	7.2
142.04201	0.5
143.04924	12.8
144.05708	8.7
145.06506	1.0
145.10124	1.0
147.08028	4.1
147.11699	1.8
155.06038	0.8
157.04340	1.8
160.05205	63.2
161.05795	1.7
175.07553	100.0
175.13280	1.2
175.14807	14.2
176.07986	1.1
184.07538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03943	0.7
55.01870	2.1
69.03435	1.6
69.07085	0.6
69.29835	3.9
69.30241	1.0
78.04704	1.7
79.05492	1.9
81.07095	0.7
81.53487	0.5
91.05486	28.8
93.07033	1.0
98.21495	1.2
98.98472	2.2
103.05477	3.4
104.06264	9.2
105.03393	1.1
105.07058	3.7
107.04952	7.0
107.08607	0.6
115.05465	28.6
116.06231	1.0
117.07025	17.3
119.04945	1.7
119.08589	38.4
128.06229	12.7
129.07010	11.9
131.04929	4.5
132.05717	37.8
133.06079	0.7
133.10138	5.0
143.04933	4.7
144.05705	3.2
145.06480	3.3
146.07303	1.3
147.04417	1.8
147.08060	33.3
155.06042	2.9
157.06525	0.8
157.07677	0.9
160.05212	47.3
161.05597	0.7
169.26642	0.5
175.07559	100.0
175.14813	7.6
176.07904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
56.96571	0.4
56.97671	0.4
57.03437	0.7
57.37963	0.4
63.89886	0.4
69.03458	0.6
69.07101	0.9
69.57321	1.6
69.57755	1.2
81.07087	1.3
91.05478	2.9
93.07081	0.5
94.43716	0.4
95.08610	0.6
97.02928	0.9
98.98470	3.9
103.05486	0.8
104.06276	0.6
105.03432	0.6
105.07057	3.1
110.99162	0.4
115.05462	49.6
116.06304	2.7
117.07030	8.3
118.04238	0.6
119.05008	0.6
119.08589	5.3
127.03896	0.4
128.06239	1.9
129.07027	4.0
131.04930	2.6
131.08569	0.8
132.05766	5.8
133.10135	6.0
143.04930	14.2
144.05711	9.0
145.06468	1.2
145.10162	0.5
147.04454	0.6
147.08055	3.8
147.11707	1.5
155.06024	0.8
157.10059	0.5
159.04399	0.6
160.05209	65.4
161.05672	1.3
175.07555	100.0
175.14793	5.6
176.07886	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
55.01863	0.5
55.05515	0.8
56.96563	2.2
57.03433	1.1
60.05651	41.1
61.02932	1.3
67.05508	0.5
69.03431	2.9
70.06594	100.0
70.98129	0.5
71.04998	1.6
71.55251	0.7
72.08161	4.8
73.02922	1.1
81.03437	0.7
82.99863	0.7
83.04989	1.4
84.08145	0.7
85.01427	1.1
85.02892	3.1
87.04456	1.2
91.05480	0.6
97.02889	2.8
97.07653	0.5
98.06035	0.8
98.97576	2.9
98.98485	0.9
99.04469	0.7
101.00886	4.4
102.00965	0.6
103.00639	1.0
103.02467	1.3
111.04427	1.2
112.08728	5.1
113.00922	0.7
113.07144	0.8
114.10293	1.0
115.02456	1.4
115.03873	1.0
115.08722	0.9
116.07098	32.6
116.98587	0.6
119.01916	6.0
121.01682	1.8
121.03318	0.5
121.04258	0.7
124.03677	0.8
127.02371	0.6
127.03925	1.3
130.09763	14.3
131.01904	0.8
133.01595	0.6
133.03465	5.4
133.10141	0.7
137.02972	0.7
137.04562	0.6
139.03972	0.7
139.05064	0.5
143.01877	0.6
145.03482	1.9
151.04518	0.8
153.03004	0.4
157.03464	1.6
157.04935	0.6
157.10849	1.7
158.09242	10.1
161.02966	1.0
163.02544	0.7
163.04485	0.6
174.99147	1.3
175.04532	8.8
175.06125	1.6
175.11911	38.9
179.04102	0.7
193.00229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
55.05504	0.5
57.03435	1.2
60.05651	39.9
61.02934	0.9
67.05505	0.5
68.85921	0.4
69.03432	2.5
70.06595	100.0
70.70109	0.8
71.04993	2.2
72.08161	4.7
73.02910	0.4
83.05000	0.8
84.08147	0.7
85.01434	0.6
85.02916	1.8
87.04456	1.2
87.76219	0.4
88.07632	0.7
97.02903	2.2
97.07668	0.6
98.06049	0.9
99.04439	0.5
101.00893	2.3
103.02472	0.5
103.03219	0.6
111.04440	0.6
112.07603	1.4
112.08736	4.4
112.55424	0.4
113.07150	0.9
114.10286	0.9
115.02396	0.7
115.03941	1.8
115.08685	1.2
116.07098	31.5
119.01932	4.7
124.03687	0.4
127.03922	1.3
128.41583	0.4
129.05463	0.4
130.08746	0.6
130.09767	13.2
131.01967	0.6
133.03505	2.1
137.02922	0.8
139.03900	1.0
140.08116	0.5
143.01895	0.8
145.03494	0.5
157.03500	0.9
157.10808	1.9
158.09259	9.2
161.02968	1.2
175.04544	3.0
175.11920	33.8
182.94698	0.4
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	Unknow
Peak:m/z	Relative Intensity
52.45952	0.8
53.03943	1.0
55.05304	0.7
55.05517	7.6
55.35861	0.7
56.96561	1.1
57.07066	1.7
61.31764	0.6
67.05494	1.9
67.44487	0.7
69.06722	1.2
69.07074	17.7
71.12729	1.4
71.13049	0.8
79.05491	2.8
81.07066	8.4
83.08614	3.5
91.05492	11.4
93.07050	4.4
95.08622	6.1
97.02872	0.8
98.98440	2.1
103.05445	0.9
104.06225	1.0
105.07035	29.4
107.08601	5.1
109.79357	0.6
115.05451	4.3
117.07004	3.9
119.04945	1.8
119.08591	78.3
121.10141	2.6
129.07027	1.1
131.08577	4.7
132.05713	2.4
133.10138	57.0
134.10445	1.0
143.04861	1.0
145.10094	4.0
146.10866	1.7
147.04427	1.3
147.08044	2.2
147.11690	10.5
160.05199	4.9
160.12488	2.4
171.93721	0.7
173.13261	1.7
175.03932	0.8
175.07541	12.1
175.14835	100.0
175.86174	0.7
176.15216	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.3
59.96585	1.1
63.38376	0.9
67.05504	2.1
69.06725	1.6
69.07074	18.8
69.07447	0.7
69.66879	1.6
69.67278	3.9
79.05489	2.9
81.07045	5.8
83.08620	4.2
89.33517	0.8
91.05489	10.7
93.07041	4.0
95.08627	5.3
97.89867	0.8
98.98470	2.5
99.47882	0.8
103.05482	1.5
104.06255	1.3
105.07040	21.2
107.08578	3.9
111.69805	1.0
115.05441	6.4
117.07037	3.8
119.04930	2.3
119.08592	72.6
120.09355	1.1
121.10151	1.7
128.06252	1.3
129.07039	2.0
131.04948	1.2
131.08560	3.7
132.05695	3.7
133.10143	59.1
135.11673	1.2
143.04938	1.6
143.89816	0.9
144.05728	1.2
145.10144	4.8
146.10983	0.9
147.04401	2.0
147.08104	2.8
147.11700	10.8
160.05223	9.3
160.12500	2.7
173.13275	2.3
175.03940	1.4
175.07553	18.2
175.14838	100.0
176.15234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03939	1.2
55.05513	6.3
56.96544	1.5
57.03426	0.7
57.07058	0.9
60.05657	0.5
60.36197	0.6
61.02902	0.7
67.05505	4.9
69.03416	2.3
69.06734	0.7
69.07075	10.1
69.60890	1.9
69.61317	1.7
70.06593	0.6
72.23131	0.5
74.93158	1.3
79.05498	5.2
81.07062	37.9
83.04956	0.9
83.08614	2.3
85.02924	1.3
87.04475	0.7
91.05482	14.1
92.90022	1.2
93.07054	9.6
95.08610	20.9
97.02888	3.1
97.10226	0.5
97.99197	0.9
98.98473	22.2
98.99126	1.0
103.05442	1.3
105.07034	50.9
107.08598	16.1
109.10199	0.7
111.04423	1.5
115.03917	1.7
115.05447	2.5
117.07014	3.9
119.08586	70.2
120.08913	1.0
121.10124	1.7
127.03883	1.7
129.05527	0.7
129.06992	0.8
129.89275	0.5
131.08559	6.5
132.09346	1.2
133.10139	46.2
133.92746	1.1
134.10513	1.0
139.03897	0.9
139.71843	0.6
142.07674	0.7
143.74405	0.5
145.10086	2.9
146.10883	2.9
147.04410	1.6
147.08038	0.9
147.11687	12.9
151.93890	2.5
151.97905	0.8
157.04214	0.7
157.10103	0.9
160.05190	2.5
160.12489	2.3
173.13304	1.9
175.03989	0.7
175.06110	0.7
175.07492	6.0
175.11343	1.9
175.14830	100.0
176.15207	1.6
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
55.05511	5.6
57.07061	1.0
63.18498	0.5
63.24665	0.5
65.03938	1.2
67.05494	2.1
69.07068	17.8
70.54461	1.2
70.54857	1.4
79.05484	1.7
81.07050	4.1
83.08627	3.8
89.03902	1.4
89.71880	0.6
91.05481	18.9
93.07043	4.3
95.08609	4.3
98.86845	0.6
98.98489	1.1
103.05473	0.8
103.66426	0.7
105.07035	18.3
107.08605	3.9
115.05412	1.4
116.66416	0.5
117.07007	2.2
119.04944	8.9
119.08585	72.1
120.08887	0.6
121.10143	2.2
131.08597	2.7
133.10135	62.0
133.35890	0.6
134.10469	0.6
145.10103	5.1
146.10970	0.7
147.04410	3.5
147.11696	8.9
151.71544	0.6
151.97159	0.5
157.03879	0.9
159.11702	0.8
160.12491	2.5
173.13269	2.3
175.03864	1.8
175.07542	2.1
175.14830	100.0
176.15166	1.4
180.45999	0.5
182.87971	0.6
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
53.03938	0.6
55.05511	7.3
56.96560	1.2
57.07071	1.0
67.05508	2.1
69.03452	0.8
69.07073	21.4
70.04832	0.5
71.41272	0.7
71.41602	0.9
73.65504	0.5
79.05496	1.9
81.07051	5.7
83.08625	3.6
85.21085	0.5
90.01519	0.6
91.05480	7.7
93.07047	2.9
95.08614	5.5
97.02866	0.7
98.98474	2.8
101.52335	0.6
103.02325	2.1
105.07037	19.9
107.08604	5.1
115.05455	0.8
117.07019	2.7
119.08587	73.4
120.08899	0.9
121.10152	2.2
127.00718	0.5
129.06970	0.9
130.06543	0.6
131.05438	2.0
131.08578	2.9
133.10136	63.5
145.10110	5.7
146.10974	0.7
147.04448	1.8
147.11687	9.8
157.10115	0.7
159.11696	0.6
160.05235	1.3
160.12491	2.6
173.13277	2.2
175.03940	1.5
175.07474	2.7
175.11382	1.8
175.14835	100.0
176.15187	0.7
181.80544	0.6
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	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05309	0.6
55.05517	7.8
56.96548	0.9
57.07077	1.4
60.55175	0.7
67.05508	2.6
68.59228	0.7
69.06724	1.0
69.07078	18.4
69.66463	1.4
69.66867	2.8
73.85982	0.7
79.05492	3.3
81.07072	8.9
83.08631	5.6
91.05487	9.9
93.07058	4.5
95.08610	7.4
95.51885	0.8
97.02920	1.2
98.03167	0.9
98.20795	0.8
98.98455	2.4
105.07038	28.2
107.08604	5.8
115.03947	0.7
115.05452	8.4
117.07014	5.3
119.08593	80.9
121.10133	2.8
129.06979	2.4
130.06544	0.8
131.04974	0.7
131.08606	5.3
132.05678	1.3
132.09465	0.7
133.10144	74.4
139.03870	0.8
143.04947	2.3
144.05705	1.3
145.10143	5.2
146.10886	1.3
147.08058	1.4
147.11711	11.4
150.35027	0.7
160.05200	9.5
160.12473	2.2
173.13313	2.0
175.07570	17.8
175.11258	7.3
175.14842	100.0
176.15141	1.4
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	Unknow
Peak:m/z	Relative Intensity
52.80733	0.4
55.05510	6.3
57.07078	1.0
65.03944	2.0
67.05494	1.5
67.59122	0.5
69.07069	19.8
69.75442	3.0
77.03905	0.7
79.05505	2.8
81.07050	4.1
83.08609	4.5
89.03909	1.3
91.05483	23.8
93.07060	2.1
95.08620	3.7
98.21485	0.6
98.96539	0.4
98.98496	0.6
103.05436	0.8
104.87815	0.4
105.07036	21.0
107.08600	4.2
115.05448	0.8
117.07023	1.7
119.04953	10.6
119.08582	74.9
121.10159	1.9
131.08572	3.5
132.02081	0.9
132.09351	0.9
133.10132	63.1
134.10490	1.1
135.11707	1.0
145.10130	5.1
146.10887	0.8
147.04414	5.3
147.10597	0.4
147.11694	8.6
157.03983	1.2
159.11670	0.6
160.05174	0.6
160.12442	3.1
173.13245	2.4
175.03914	2.6
175.07535	2.3
175.14827	100.0
176.15175	1.5
184.17114	0.5
186.72726	0.6
192.53792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03957	0.5
54.65693	0.5
55.01866	1.1
55.05521	3.1
57.03433	1.2
57.07072	0.7
57.24760	0.4
59.05015	0.6
60.91088	0.5
61.02916	1.7
67.05495	1.7
69.03410	1.5
69.06719	0.7
69.07072	9.6
71.66473	0.4
73.98695	0.4
75.76043	0.4
79.05506	2.1
81.07058	4.3
83.08610	1.5
85.02917	1.1
87.04480	1.8
91.05470	6.6
93.07043	2.6
95.08595	3.2
97.02914	2.7
98.20714	1.0
98.98467	5.8
99.04465	0.7
101.81429	0.6
105.07037	17.9
107.08608	4.1
111.04494	1.0
115.03955	2.7
115.05379	0.6
117.07026	2.4
119.08588	53.6
121.10191	1.1
127.03917	2.0
128.06171	0.4
129.07042	0.8
131.08606	3.4
132.09348	0.8
133.10136	50.6
134.10870	1.3
139.03893	2.0
142.07758	0.7
143.17619	0.5
144.09383	0.9
145.10117	8.8
147.11694	21.4
148.12032	0.5
157.04211	1.3
157.10152	1.3
159.11703	3.9
160.12498	6.3
161.13263	0.8
173.13252	1.3
175.06036	1.3
175.07652	1.1
175.11316	2.2
175.14830	100.0
176.15160	2.0
179.54391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.8
55.05512	4.6
66.10604	0.7
66.56891	0.5
67.05510	1.3
69.07072	10.2
69.53473	3.6
69.53871	1.2
78.83232	0.6
79.05494	2.1
79.61996	0.6
81.07055	7.2
83.08622	2.0
91.05480	7.3
93.07041	3.8
95.08623	5.8
98.98470	1.2
103.05474	0.9
105.07037	19.7
107.08607	4.0
107.13522	0.7
117.07011	2.2
119.08587	50.7
121.10147	1.6
129.07040	0.7
131.08560	3.8
133.10138	100.0
134.10481	0.7
134.95755	0.6
145.10147	4.8
146.10912	1.5
147.11700	11.2
159.11707	1.2
160.11360	0.6
160.12444	3.1
173.13310	1.5
175.07605	1.5
175.11353	1.5
175.14836	81.4
176.15187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05514	1.3
56.15765	0.1
64.18009	0.1
67.05505	0.7
69.07076	3.4
70.49186	0.5
70.49561	0.2
71.25012	0.1
77.03954	0.2
79.05479	0.8
81.07063	3.3
83.08630	0.6
91.05491	2.6
92.06286	0.2
93.07051	1.6
95.08612	2.6
98.98468	0.3
104.64816	0.2
105.07037	8.3
107.08610	1.4
115.05450	0.4
117.07006	0.8
118.06464	0.2
118.07807	0.5
119.08590	17.2
121.10178	0.4
131.08572	1.3
132.09315	0.1
133.10136	100.0
134.10440	1.1
145.10127	1.8
146.10934	0.4
147.11691	3.8
155.81653	0.2
157.62431	0.2
158.11002	0.2
159.11726	0.2
160.11372	0.2
160.12453	0.9
173.13274	0.5
175.14832	32.9
176.15161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84017	0.5
53.03947	1.5
63.02380	1.3
65.03949	0.5
70.00712	2.5
78.04710	3.0
89.03921	37.7
91.05482	4.9
93.07078	1.3
95.04979	0.8
95.08609	1.0
98.98484	0.5
103.05468	2.7
106.04187	6.9
109.10155	0.5
110.37477	0.5
110.74251	0.5
117.03386	67.5
118.03735	1.5
119.04928	1.0
121.06532	3.3
121.10142	1.0
131.04955	0.7
134.03633	8.7
135.04416	3.1
145.02853	100.0
146.03192	1.0
146.82417	0.5
147.04390	0.6
149.05991	26.5
152.34343	0.6
152.45856	0.6
158.06073	0.6
162.03165	3.6
163.03899	2.6
177.05479	39.7
177.09134	1.1
177.16414	0.7
186.05473	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.98247	0.4
53.03950	0.5
63.02373	0.8
70.58993	1.2
70.59349	0.5
77.28381	0.4
78.04715	2.1
88.33600	0.4
89.03920	36.7
90.04256	0.5
91.05486	2.7
93.07039	0.6
95.04942	0.6
98.21297	0.7
103.05473	1.9
106.04198	3.5
117.03381	69.3
118.03686	0.7
121.06501	1.3
121.10096	0.6
124.31083	0.4
134.03636	7.7
135.04459	3.4
145.02847	100.0
146.03203	1.3
149.05986	23.7
150.06386	0.6
162.03136	1.9
163.03923	2.8
165.03525	0.4
177.05475	37.0
186.05545	2.2
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
53.03951	0.8
55.01886	0.5
63.02386	1.0
64.97671	0.4
68.70527	0.3
70.22510	1.2
70.22851	0.3
78.04715	2.0
78.05096	0.3
79.05486	0.4
83.05012	0.4
88.30292	0.4
89.03922	31.4
91.05486	3.2
93.07040	1.4
95.04962	0.7
98.97552	0.5
98.98473	0.4
103.05470	2.2
103.91820	0.4
106.04182	2.9
107.08548	0.6
117.03385	65.5
117.07023	2.3
118.03743	0.5
121.06494	1.0
121.10156	0.4
124.05259	0.5
131.08556	1.5
134.03632	5.9
135.04443	3.1
145.02852	100.0
146.03233	1.2
147.04440	0.4
149.05989	21.7
149.09671	0.4
152.92795	0.3
159.08101	0.5
162.03149	0.7
163.03935	1.1
177.05476	31.3
177.08891	0.8
177.12691	0.4
178.05823	0.4
186.05539	1.4
193.51341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03959	0.5
55.01876	0.5
55.05513	0.3
55.36695	0.3
63.02378	1.0
64.43779	0.3
69.07072	0.7
71.25563	0.7
71.25876	0.4
78.04723	2.6
79.05502	0.7
84.57404	0.4
89.03921	32.3
91.05495	2.6
93.07042	1.2
95.04971	0.4
95.08602	0.4
96.35110	0.3
103.05462	1.0
105.04514	0.4
106.04191	2.4
107.08607	1.2
117.03384	65.8
118.03712	0.9
119.04930	0.5
121.06519	0.8
121.10157	2.2
124.05196	0.5
134.03653	6.8
135.04422	2.7
145.02850	100.0
146.03195	1.2
149.05983	20.7
158.06061	0.7
162.03134	1.3
163.03911	1.6
177.05479	36.1
177.12692	0.5
177.16391	1.1
186.05536	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89358	0.5
53.03947	0.8
59.29688	0.4
63.02368	1.1
65.37401	0.4
71.27634	0.7
77.03954	0.8
78.04713	2.4
89.03921	36.6
91.05505	2.4
93.07046	0.7
103.05428	1.0
106.04181	4.6
117.03382	66.2
118.03684	0.6
119.04968	0.5
121.06506	0.8
124.05262	0.5
134.03632	7.9
135.04405	2.9
145.02850	100.0
146.03218	1.1
149.05986	22.2
162.03149	2.2
163.03934	2.7
165.65012	0.5
177.05473	37.2
186.05450	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.15297	0.4
63.02379	1.2
69.07056	0.8
69.99028	2.0
78.04726	2.5
79.05496	1.1
80.89671	0.5
81.07070	1.0
89.03922	37.5
91.05485	4.1
93.07043	2.0
95.04977	0.5
95.08613	0.9
103.05483	1.8
105.03429	0.6
105.07045	0.8
106.04187	5.0
107.05016	0.5
107.08610	1.3
117.03386	67.2
119.04932	1.0
121.06534	2.8
121.10126	1.2
124.05202	0.8
131.04912	1.2
131.08601	0.7
134.03638	8.4
135.04417	4.3
145.02855	100.0
146.07317	1.4
147.04413	0.6
149.05991	25.3
149.20633	0.5
156.74928	0.7
158.06035	0.8
162.03145	1.8
163.03899	3.3
172.46472	0.4
177.05478	37.4
177.08972	2.4
177.12750	1.7
177.16400	0.8
178.05835	0.5
186.05527	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
50.14713	0.6
54.72683	0.6
63.02361	1.5
69.25596	6.6
75.63442	0.6
77.03929	1.0
78.04724	3.1
79.05471	1.4
81.07038	1.0
85.62717	0.6
89.03922	36.9
90.04260	0.8
91.05479	12.6
93.07031	1.8
95.04941	0.7
95.08624	0.7
98.21504	1.4
102.04682	1.2
103.05475	6.1
105.07024	1.4
106.04191	4.5
107.04971	1.5
107.08612	1.5
109.06517	1.2
115.05450	7.0
116.06235	1.2
117.03385	68.5
117.07017	14.0
119.04932	3.5
119.08614	0.9
121.05650	1.4
121.06516	23.8
121.10122	1.3
122.06905	0.6
129.04506	0.8
129.06969	0.7
130.04153	1.4
131.04935	14.5
132.05728	1.0
133.06493	2.8
134.03636	8.5
134.07283	2.0
135.04440	3.4
137.05963	1.2
144.05713	0.9
145.02850	100.0
145.06517	6.3
146.03221	1.1
146.07272	67.9
147.04413	3.6
147.08078	7.1
149.04778	1.2
149.05983	25.0
149.09625	2.6
150.06337	0.7
159.07997	0.7
161.05998	1.3
162.03154	3.2
162.06766	12.3
163.03937	3.5
177.05499	37.9
177.09113	80.6
178.09457	1.6
186.05557	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.22448	1.1
53.03940	1.3
55.05513	10.7
67.05502	9.2
69.07072	20.2
70.42178	1.1
72.34604	1.1
79.05061	2.0
79.05495	28.1
81.07061	81.7
83.08621	10.8
91.05489	8.4
93.07047	36.4
95.05032	1.5
95.08613	50.3
97.09614	1.2
97.10143	6.7
97.43457	1.1
105.07018	6.4
107.08600	100.0
109.10159	13.3
117.03326	1.5
119.06078	1.2
119.08537	1.5
121.10149	72.8
135.11710	13.3
142.06155	1.2
145.02872	2.6
149.13252	3.9
177.05449	1.3
177.16403	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03930	1.3
55.05514	14.1
65.03948	1.0
67.05506	10.0
69.06728	1.7
69.07076	28.4
69.48707	9.5
71.08614	1.1
79.05064	1.8
79.05497	23.6
81.07062	66.6
83.08626	14.1
89.03905	2.8
91.05459	7.7
93.07048	42.9
95.08611	52.1
97.10177	6.9
98.98480	3.2
105.07018	6.9
106.06665	1.1
107.08600	100.0
108.09020	1.1
109.10152	15.3
117.03355	5.1
119.08601	1.2
121.02895	1.2
121.10149	93.8
123.66798	1.1
127.03849	1.1
133.10136	1.7
135.11694	15.9
145.02866	7.4
149.05981	3.5
149.13269	5.2
177.05489	4.6
177.16396	74.8
186.05527	1.1
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	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.05512	14.7
57.07065	1.2
62.28400	1.2
65.03908	1.2
66.24426	1.2
67.05512	10.1
68.88181	1.2
69.06727	2.0
69.07072	28.8
71.58411	1.5
77.14204	1.2
79.05063	2.4
79.05495	29.5
81.07059	74.2
83.08614	13.2
88.02229	1.8
89.03907	3.7
91.05485	12.1
93.07047	44.6
95.05009	2.1
95.08610	52.8
97.10159	6.4
98.98462	6.6
103.05460	1.4
105.07053	7.6
107.08599	100.0
109.10162	17.9
117.03387	6.9
119.08583	2.8
121.06454	1.5
121.10146	85.8
123.08072	1.3
133.10104	1.4
135.11691	14.4
137.09534	2.2
145.02867	9.1
146.07281	1.9
149.02359	2.2
149.05975	4.4
149.13225	6.0
163.22108	1.2
177.05386	7.2
177.09064	6.5
177.12766	3.1
177.16389	73.8
178.08537	2.2
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
53.03957	1.3
55.05506	10.2
62.83587	1.0
65.62424	1.1
67.05505	7.1
69.07070	23.9
75.50412	1.0
76.44098	1.0
79.05495	25.5
79.05952	1.3
81.06354	1.3
81.07060	83.4
83.08620	11.4
91.05473	6.9
93.07050	39.0
95.08609	47.5
97.10178	9.0
105.07038	6.2
107.08601	100.0
109.10159	13.7
119.08576	1.7
121.10147	78.4
135.11700	15.0
149.13281	5.0
165.31879	1.0
168.53598	1.0
177.16396	83.1
180.34167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05514	8.7
56.96559	1.0
57.07069	2.6
62.03846	0.7
67.05508	7.2
69.07072	46.9
69.57951	3.5
71.08651	0.7
79.05497	11.0
81.07066	11.2
83.08619	14.4
86.51283	0.7
89.03906	1.6
91.05484	7.3
93.07050	30.4
94.24905	0.6
95.04982	1.1
95.08611	51.7
97.10165	2.3
98.98481	1.9
103.05457	0.7
105.07024	4.8
107.08600	62.5
108.08938	0.8
109.06514	1.0
109.10160	20.1
117.03393	3.8
119.08611	2.0
121.10149	98.2
122.10469	0.8
123.08081	0.6
123.11687	0.7
131.08574	2.1
133.10127	2.3
134.06686	0.6
135.11705	18.6
144.09416	0.7
145.02831	4.3
149.02342	1.1
149.06018	1.7
149.13272	7.5
159.08011	1.4
159.11681	1.4
177.05496	4.2
177.09106	2.0
177.13086	3.8
177.16396	100.0
177.68472	0.6
178.08624	0.7
178.16731	1.1
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
53.03942	1.6
55.05516	7.8
56.96541	1.1
57.07073	2.5
67.05516	14.4
69.07073	35.9
70.61231	1.1
70.61557	1.8
74.83538	0.8
78.73298	1.0
79.05493	22.5
81.07067	15.5
83.08627	12.5
89.03919	5.0
91.05475	11.2
93.07053	39.1
95.04977	2.1
95.08616	53.7
97.10149	2.1
98.98495	5.7
103.05456	1.1
105.04572	1.1
105.07038	5.8
107.08599	55.3
109.06540	1.3
109.10163	21.7
117.03394	9.1
117.07059	1.9
119.08533	1.1
121.06539	1.8
121.10154	98.6
123.08051	1.1
131.08565	3.1
133.10147	2.2
134.03661	1.1
134.68028	0.8
135.08096	1.5
135.11700	23.2
145.02866	10.5
149.02348	4.5
149.05988	4.1
149.09663	1.1
149.13264	7.2
159.11708	3.9
177.05458	8.7
177.07800	0.9
177.09125	3.5
177.12910	8.8
177.16399	100.0
178.16711	1.2
186.05505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75379	2.2
53.03941	3.5
53.64656	2.2
55.05522	14.2
67.05489	10.9
69.07076	28.1
71.59151	3.5
79.05500	23.6
81.07061	82.0
83.08631	16.4
88.02170	4.0
89.03910	8.0
91.05480	21.2
93.07050	41.4
95.08610	58.3
97.10136	7.1
98.98466	13.2
103.05432	3.2
105.07044	13.6
107.08603	100.0
109.10180	20.2
117.03410	14.7
117.07020	3.5
119.08611	29.8
121.06517	5.9
121.09327	5.1
121.10155	86.5
131.04959	3.4
131.08556	6.3
133.10101	10.6
134.03613	3.8
134.10904	3.5
135.08058	6.7
135.11740	17.0
137.09630	25.2
138.84460	2.6
145.02847	23.3
149.02281	3.9
149.05966	7.7
149.09619	8.5
149.13229	14.1
161.09596	10.0
177.05447	18.2
177.09093	9.9
177.11243	4.3
177.12767	71.7
177.16382	91.9
178.08601	3.7
186.14017	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
55.05513	6.4
56.96572	0.6
57.07077	1.6
65.03951	0.6
67.05511	6.5
69.07075	49.4
70.70639	1.4
74.13397	0.5
79.05499	8.4
81.07065	8.3
83.08629	12.2
89.03895	0.8
91.05484	4.7
93.07053	26.4
95.08616	52.2
95.58531	0.5
97.10177	1.9
98.20893	0.6
98.21415	0.6
100.37423	0.6
105.04556	0.7
105.07047	5.3
107.08604	61.6
109.10166	20.2
117.03415	0.6
119.06086	0.6
119.08616	1.2
121.10155	95.9
122.10484	1.0
123.08090	1.0
123.11718	0.8
131.08562	0.7
133.10130	0.7
135.11707	16.9
145.02892	1.0
149.13269	7.2
154.99690	0.5
177.05594	0.5
177.16399	100.0
178.16766	1.8
183.41684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03941	1.1
55.05521	5.1
57.07063	1.5
60.67305	0.7
60.84199	0.8
62.37794	0.6
64.75835	0.7
67.05494	4.2
69.07071	38.1
69.35328	1.4
69.35732	4.6
79.04636	0.6
79.05489	5.5
81.07063	7.0
83.08623	11.3
91.05473	3.6
93.07052	17.3
93.92950	0.6
95.08612	44.4
97.10172	1.0
98.20724	0.9
105.07030	2.6
107.08601	45.5
109.10163	16.1
119.08524	1.1
121.10150	82.3
122.10460	0.8
123.11728	0.9
135.11708	15.8
145.86258	0.7
149.13271	5.9
177.16394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.7
57.07063	2.2
65.03975	0.9
67.05512	6.1
69.07072	43.1
71.20739	0.7
71.57593	1.3
79.05499	9.2
81.07065	10.5
83.08620	12.3
85.74161	0.8
89.03932	3.9
91.05479	9.5
93.07054	25.3
95.04976	2.5
95.08615	48.0
97.10171	1.2
98.98464	2.4
103.05513	1.0
105.07047	5.1
106.04172	0.9
107.04947	1.0
107.08601	55.2
109.06515	1.7
109.10165	17.4
112.90174	0.8
117.03390	8.4
117.07032	2.0
119.06024	0.8
119.08568	4.0
121.06532	1.7
121.10152	94.5
131.08571	3.2
133.10164	2.5
135.11693	17.0
145.02864	10.2
149.02325	2.0
149.05981	3.5
149.09604	1.3
149.13266	7.4
159.08018	1.8
159.11728	4.9
177.05495	7.2
177.09100	2.3
177.12918	8.6
177.16400	100.0
178.16786	1.3
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
52.66282	0.4
55.05516	5.8
57.07078	2.3
65.03937	0.6
67.05495	6.1
69.07070	48.3
70.07396	0.6
70.62105	1.4
71.08624	0.6
79.05492	8.4
81.07054	7.7
81.07510	0.5
83.08624	10.5
89.03899	0.6
91.05476	4.8
93.07052	23.5
95.05029	0.6
95.08612	47.2
97.10188	1.3
98.98464	0.6
103.05442	0.6
105.07034	3.8
107.08598	55.7
109.10155	17.6
117.03352	0.9
119.08595	1.1
121.10148	89.7
122.10480	1.5
122.93629	0.5
123.08055	0.9
123.11678	0.9
131.08577	0.7
133.10126	0.7
135.11700	16.3
145.02850	1.2
149.06015	0.8
149.13283	6.2
167.58707	0.5
177.16393	100.0
178.16766	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01854	1.1
55.05510	6.4
57.07076	2.2
60.91987	1.0
67.05508	4.8
69.07069	43.7
69.81377	4.6
75.01558	0.8
79.05503	9.3
81.07052	11.5
83.08621	11.6
89.03902	2.0
91.05466	7.1
93.06464	1.7
93.07043	26.0
95.08610	51.8
97.10143	1.3
98.20781	1.2
98.98453	4.1
103.05478	1.0
105.07028	6.3
107.08596	59.2
107.93462	0.9
109.06544	1.2
109.10157	19.6
117.03384	3.8
117.07002	1.6
119.08585	2.1
121.02983	0.8
121.06512	1.2
121.10145	98.8
128.47655	0.9
131.01947	1.0
131.08563	1.8
133.10118	1.5
135.08084	1.4
135.11699	17.2
145.02829	7.7
149.02248	1.7
149.05981	2.4
149.13283	7.5
150.53609	1.0
159.11690	3.3
177.05493	4.2
177.09096	2.6
177.13005	6.0
177.16396	100.0
178.06885	6.6
178.16760	1.2
179.19034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.69076	0.9
55.05511	7.3
56.93113	1.0
56.96562	2.0
57.07073	1.3
57.49973	0.9
59.32146	0.9
60.95348	1.0
67.05506	6.6
69.07072	46.5
69.36582	7.4
79.05505	9.3
81.07063	10.7
83.08200	1.1
83.08624	11.0
89.03901	3.3
91.04978	1.0
91.05466	5.9
93.07044	27.1
95.08615	44.0
97.10181	1.5
98.98455	4.5
105.07044	6.1
107.08601	56.4
109.10168	19.9
117.03395	3.7
117.06992	1.4
119.08584	2.1
121.06502	1.4
121.10148	98.3
131.01874	0.9
131.08591	2.3
133.10155	1.9
134.03670	1.1
135.04512	1.4
135.11696	17.6
145.02875	5.6
149.02328	2.8
149.05994	2.6
149.09549	1.1
149.13268	8.7
159.11717	2.0
177.05476	4.7
177.09164	2.4
177.12907	6.6
177.16396	100.0
192.82994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03930	1.3
55.05516	7.9
57.07090	1.1
67.05490	4.5
69.07077	43.5
70.72937	3.4
79.05499	9.8
81.07069	9.8
83.08634	14.8
87.87574	1.1
89.03931	6.8
91.05487	10.0
92.05061	1.2
93.07056	32.4
95.08617	46.2
97.10166	1.8
98.97623	1.3
98.98472	2.5
105.07023	7.5
107.08603	61.4
109.10171	17.3
114.06769	1.1
117.03389	10.2
117.05718	1.3
117.07030	2.0
118.06544	4.5
119.08596	1.3
120.92269	1.2
121.06511	2.5
121.10152	94.3
123.11766	1.4
131.08606	2.5
133.10147	2.2
134.06734	1.8
135.11700	17.1
145.02872	23.2
145.04730	1.9
146.06091	8.9
146.07162	2.3
149.05998	6.4
149.09616	1.8
149.13292	6.7
159.08025	1.3
159.11676	1.8
177.05505	13.2
177.07408	3.9
177.09157	3.7
177.12830	11.9
177.16412	100.0
178.08623	14.1
178.16747	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37048	0.5
61.50523	0.5
65.47996	0.5
69.68526	3.1
70.98147	0.7
78.04748	0.6
79.05492	5.8
88.02249	0.6
89.03918	2.4
90.04276	1.5
90.04744	1.0
91.05507	0.9
95.04966	0.5
98.37145	0.5
103.05468	0.8
104.06277	1.6
105.03422	0.6
106.06565	0.8
107.04938	4.3
110.96777	0.6
117.03393	7.1
118.04199	27.0
119.04982	1.2
130.06549	0.4
131.04938	6.1
132.05725	16.5
132.06715	1.1
132.08110	1.6
135.04442	6.1
145.02870	1.3
146.03644	100.0
147.04312	1.8
150.06348	1.2
151.01649	0.5
160.05222	5.9
160.07614	0.6
161.35651	0.5
162.20107	0.5
163.03922	24.3
171.41786	0.5
178.06258	58.6
179.03386	0.8
179.06773	1.0
184.99414	0.5
189.72327	0.5
192.36542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65928	0.4
53.03937	0.8
55.01876	2.3
57.03415	0.5
58.15489	0.3
65.03929	0.5
67.05529	1.7
67.05824	0.4
68.32303	0.3
69.03421	0.5
69.07072	0.5
71.04998	0.6
71.53590	0.4
73.98408	0.4
77.03941	1.1
79.05502	2.1
81.03409	0.7
81.07040	1.4
85.23430	0.4
89.03923	1.7
90.32719	0.3
91.05484	7.6
93.07055	1.6
95.04959	1.6
95.08592	1.8
95.95212	0.3
103.05470	0.5
105.03414	3.0
105.04534	0.4
105.07040	5.2
107.04926	0.7
107.08597	1.3
109.02879	0.8
109.06543	1.0
109.10163	0.7
115.05463	0.8
115.52663	0.4
117.03368	1.2
119.04953	4.2
119.08584	1.9
121.01861	0.4
121.06477	0.5
121.10162	0.7
123.04438	31.5
123.08073	0.6
133.02861	23.5
133.06517	3.8
133.10136	1.7
135.03441	0.5
135.04416	3.2
135.08064	0.5
135.11717	0.4
137.05931	0.5
146.03624	0.8
147.04427	11.7
151.03925	8.4
161.05951	3.4
161.09653	0.6
161.13260	1.5
166.14850	0.4
179.03409	100.0
179.10641	1.6
179.14323	2.2
180.03676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.65928	0.4
53.03937	0.8
55.01876	2.3
57.03415	0.5
58.15489	0.3
65.03929	0.5
67.05529	1.7
67.05824	0.4
68.32303	0.3
69.03421	0.5
69.07072	0.5
71.04998	0.6
71.53590	0.4
73.98408	0.4
77.03941	1.1
79.05502	2.1
81.03409	0.7
81.07040	1.4
85.23430	0.4
89.03923	1.7
90.32719	0.3
91.05484	7.6
93.07055	1.6
95.04959	1.6
95.08592	1.8
95.95212	0.3
103.05470	0.5
105.03414	3.0
105.04534	0.4
105.07040	5.2
107.04926	0.7
107.08597	1.3
109.02879	0.8
109.06543	1.0
109.10163	0.7
115.05463	0.8
115.52663	0.4
117.03368	1.2
119.04953	4.2
119.08584	1.9
121.01861	0.4
121.06477	0.5
121.10162	0.7
123.04438	31.5
123.08073	0.6
133.02861	23.5
133.06517	3.8
133.10136	1.7
135.03441	0.5
135.04416	3.2
135.08064	0.5
135.11717	0.4
137.05931	0.5
146.03624	0.8
147.04427	11.7
151.03925	8.4
161.05951	3.4
161.09653	0.6
161.13260	1.5
166.14850	0.4
179.03409	100.0
179.10641	1.6
179.14323	2.2
180.03676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47946	0.5
55.01873	0.9
56.96554	1.6
70.38200	1.2
70.38597	1.1
82.01460	1.7
82.99858	4.1
91.05476	2.2
94.57871	0.6
98.97601	1.2
100.02485	3.6
101.00889	47.5
102.00989	0.8
105.07048	1.6
106.52114	0.7
113.53223	0.6
115.00602	1.0
115.02438	5.6
115.52637	1.5
118.03507	1.1
119.01932	100.0
119.04913	1.4
120.02012	1.6
124.02471	0.8
127.18544	0.6
133.01691	1.5
133.03471	11.5
133.06429	0.8
137.02972	15.8
137.04027	0.9
138.04025	1.3
142.03532	1.2
143.01851	2.6
144.03709	0.9
147.04428	5.0
151.04523	2.1
156.03241	1.2
156.03883	0.6
156.05086	8.4
161.02968	37.8
161.05925	1.7
162.03154	0.8
174.06190	1.5
179.04031	35.5
179.06995	2.3
180.04326	0.7
184.04489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	2-Oxo-4-phenylbutyric acid
Peak:m/z	Relative Intensity
50.01620	0.7
51.02372	0.9
53.03946	3.1
55.01876	9.4
55.05521	0.9
56.35224	0.6
56.96569	0.8
57.03441	1.6
65.03937	1.5
67.05506	3.2
69.03431	3.1
70.91815	0.6
71.55821	0.9
73.02921	1.5
77.03930	1.7
79.05500	13.6
81.03444	1.7
81.07055	5.6
83.04973	0.9
84.08105	0.7
85.02919	4.5
89.03922	1.5
89.38718	0.7
91.05486	22.4
93.07055	8.7
95.04982	5.5
95.08614	6.7
97.02888	2.1
98.97588	13.8
103.05469	9.9
105.03384	2.9
105.07035	78.3
107.04977	4.9
107.08595	2.3
108.05764	1.1
109.06516	4.6
115.05461	54.3
116.98666	3.9
117.07042	9.7
118.04104	0.8
119.04949	16.1
119.08588	2.9
121.06514	37.2
121.10160	1.1
123.04436	8.9
123.08062	2.8
133.02876	11.6
133.06502	49.8
133.10129	2.9
134.05992	0.8
134.80652	0.8
135.04427	2.1
136.05199	0.9
137.05974	5.1
137.09663	0.8
143.04909	1.1
146.03624	2.2
147.04419	31.2
151.03908	2.7
151.07547	27.3
152.06964	0.8
158.99663	6.7
161.05989	100.0
161.13269	0.7
162.06340	1.0
162.09096	1.4
170.04120	2.9
177.00711	5.0
179.03397	36.6
179.07042	58.1
179.10637	3.0
179.14284	2.3
180.03893	0.8
190.55489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02373	0.5
53.03942	0.5
55.01878	5.4
55.05509	0.5
57.03444	0.5
57.84943	0.6
65.03940	2.3
67.05507	1.0
69.03438	0.6
71.58271	0.7
79.05505	2.6
81.07069	2.4
83.05019	0.5
91.05489	37.3
93.07036	1.7
95.04966	1.7
95.08613	1.7
95.17738	0.5
103.05468	1.1
105.03405	1.4
105.07041	6.8
107.04977	1.3
107.08589	0.8
109.06538	2.4
115.05447	0.7
117.03398	0.6
118.04148	1.4
119.04954	67.9
119.08601	1.5
120.05267	0.8
121.06497	1.6
123.04412	0.8
123.08095	1.8
127.32023	0.4
133.02867	0.8
133.06490	6.8
133.10130	1.9
134.03674	1.1
135.11757	0.6
136.05196	2.0
137.05983	4.2
146.03616	2.5
147.04419	100.0
148.04764	1.3
149.05978	2.5
150.06609	0.5
151.03896	0.7
151.06544	0.6
151.07561	5.6
151.11081	0.6
161.05994	8.9
161.09563	0.6
161.13254	1.4
163.02377	0.5
164.04652	0.9
165.05499	0.7
179.03494	4.6
179.07060	29.0
179.10655	1.4
179.14424	2.3
187.64458	0.5
188.07085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
55.01877	31.6
57.03437	1.0
65.03950	3.0
67.05511	1.7
69.27676	5.2
69.28088	2.6
71.94175	0.9
77.03878	0.8
77.29028	0.8
79.05489	4.2
80.06251	1.0
81.07066	2.2
84.09853	0.9
89.03951	0.8
89.74377	0.9
91.05488	40.4
92.05793	1.2
93.07052	1.8
95.04984	5.8
95.08619	2.8
103.05479	5.2
104.24034	0.8
105.03409	1.1
105.07035	25.0
107.04972	2.4
109.06485	1.0
115.05473	4.0
118.04150	5.4
119.04953	57.9
119.08577	2.6
121.10149	2.1
122.03715	0.9
123.04454	5.7
123.08108	1.2
131.04921	2.0
133.02875	3.3
133.06509	27.3
133.10139	4.7
135.04436	2.6
136.05226	10.2
137.05969	2.8
137.09628	1.1
143.06107	1.2
146.03641	12.8
147.04419	100.0
148.04825	1.2
151.03929	0.9
151.07558	3.1
152.07097	1.4
161.05994	64.7
161.09589	2.0
161.13350	1.9
164.04697	2.4
179.03448	16.4
179.07062	60.1
179.08495	2.3
179.10654	3.1
179.14307	2.7
180.06500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1069
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03950	2.2
55.01867	2.0
55.05519	4.8
57.03460	0.6
61.16716	0.4
65.03950	0.9
65.27720	0.5
67.05515	3.7
69.03432	3.7
69.07071	1.3
69.58510	1.2
69.58913	2.2
71.05001	1.1
73.02913	0.6
77.03963	0.9
79.05501	12.3
81.03416	0.5
81.07063	22.0
83.04983	0.7
91.05487	21.2
93.07053	18.4
94.07851	0.6
95.04971	2.9
95.08620	11.1
97.02887	2.0
97.06551	0.6
99.04451	0.8
103.05439	1.8
104.74908	0.5
105.07038	87.6
106.07331	0.9
107.04967	0.8
107.08604	11.5
109.06532	2.9
109.10194	2.3
113.79636	0.6
115.05463	1.6
117.07024	1.8
118.07794	1.6
119.05007	2.7
119.08585	7.8
121.06493	1.8
121.10122	1.7
122.10607	0.6
123.04414	1.6
123.08080	11.8
123.11720	3.9
125.06006	0.7
127.07543	1.3
128.06206	0.6
131.08591	4.6
133.02875	1.4
133.06487	1.9
133.10139	100.0
134.10431	1.1
135.11740	2.6
137.05998	5.9
137.09558	1.2
143.08578	1.6
146.07300	1.4
147.04427	6.2
151.07578	0.9
151.11211	5.7
161.05995	2.7
161.09622	12.7
161.13242	1.3
174.24690	0.6
179.03384	5.5
179.07106	3.6
179.10687	16.7
179.14221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.75039	0.6
52.46506	0.7
53.03944	1.4
55.01865	2.4
55.05297	0.8
55.05519	7.2
57.03437	6.4
57.07084	1.4
65.03944	1.5
67.05506	31.6
69.03421	1.9
69.06793	0.8
69.07082	7.4
70.64903	2.1
71.05005	3.8
79.05497	23.4
79.12989	0.6
81.07060	82.6
83.04993	6.0
83.08610	2.7
85.06555	7.2
91.05482	24.7
93.07048	36.2
94.07379	0.6
95.04964	2.7
95.08611	76.2
97.06543	13.0
99.08100	8.1
103.05408	0.7
104.04643	0.7
105.07036	33.4
105.82746	0.6
107.08594	17.6
109.06552	4.0
109.10168	6.0
111.08090	4.9
117.07000	1.9
119.08588	49.0
121.10141	14.8
123.08054	6.4
123.11685	1.4
129.64603	0.6
133.10139	32.3
135.11699	32.5
137.09613	2.0
137.13246	2.4
145.50267	0.8
147.04401	1.8
151.11203	0.9
161.13264	96.0
162.13588	1.3
164.93845	0.6
179.14317	100.0
180.14630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03947	1.9
55.01881	7.1
55.05507	8.6
57.03432	6.1
57.07095	1.2
65.03930	2.8
67.05507	29.9
67.38622	1.1
69.03382	1.3
69.07069	7.4
69.41168	8.1
71.04985	3.3
79.05072	1.4
79.05502	23.8
81.07059	76.4
83.04997	5.9
83.08617	3.0
85.06556	7.7
91.05483	41.3
93.06473	2.0
93.07049	31.8
95.04959	3.0
95.08611	70.8
97.06536	14.3
99.08086	8.6
100.54208	1.1
103.05470	1.5
105.07037	33.6
107.04993	1.1
107.08599	17.1
109.06533	5.2
109.10174	5.4
111.08076	4.0
117.07030	2.1
119.04944	15.1
119.08586	46.5
121.10142	15.1
123.08052	7.7
133.06479	4.5
133.10143	30.6
135.10686	2.2
135.11696	30.5
136.05183	2.0
137.05986	3.9
137.09599	3.7
137.13251	2.4
146.03639	1.8
147.03342	2.2
147.04419	37.1
151.07610	1.2
161.05975	8.0
161.13266	96.2
164.04707	1.3
165.40936	1.0
179.03450	5.4
179.07092	16.5
179.08560	1.9
179.14320	100.0
180.14746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1433
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.75701	1.2
53.03938	3.6
55.01875	14.3
55.05515	11.8
55.09448	1.4
56.96550	2.4
57.03436	7.1
57.07073	2.5
62.28646	1.3
65.03924	2.3
67.05511	44.0
69.03407	5.4
69.07072	17.0
70.93295	1.6
70.93619	2.9
71.04997	14.2
77.03928	2.5
79.05057	2.4
79.05497	32.7
81.07064	73.7
83.04980	10.0
83.08620	3.8
85.06543	4.3
89.03909	2.8
91.05486	51.6
93.06482	2.4
93.07053	45.1
93.07629	3.2
95.04986	9.2
95.08612	80.0
97.06542	33.7
99.08090	4.4
103.05479	1.6
103.53239	1.4
105.03408	2.7
105.07040	74.5
107.08597	27.4
109.06512	10.9
109.09522	1.8
109.10185	15.0
111.08076	6.7
117.03383	1.7
117.07046	3.3
118.04180	2.3
119.04970	16.5
119.08588	63.1
121.06524	1.9
121.10172	19.5
123.04451	9.8
123.08080	15.8
123.11728	6.8
131.08591	3.7
133.02850	14.7
133.06503	8.9
133.10144	72.3
135.11703	35.2
136.05197	1.8
137.05977	3.9
137.09637	9.7
137.13257	2.7
146.03641	2.6
147.04420	34.3
151.03889	3.8
151.07552	1.8
151.11188	5.1
161.05992	12.3
161.09641	6.8
161.13268	94.1
179.03410	60.1
179.07045	13.9
179.08499	2.9
179.10706	14.5
179.14322	100.0
180.06564	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
55.01846	3.4
55.05500	7.4
57.03423	5.6
60.65888	1.9
60.85569	2.0
67.05504	29.9
69.07062	5.3
70.64708	3.6
70.65041	2.3
79.05489	24.7
81.07057	71.1
83.04964	5.9
83.08611	2.0
85.06536	6.9
88.86377	1.7
91.05479	30.8
93.07050	39.9
95.04961	1.9
95.08607	66.7
97.06527	11.4
99.08089	8.4
105.07040	28.4
107.08585	19.9
109.06516	4.0
109.10132	3.0
111.08060	4.4
113.09640	2.2
119.04913	4.1
119.08583	46.1
121.10163	11.8
123.08039	5.2
133.10138	30.2
135.11699	29.6
137.09566	3.0
137.13266	3.3
147.04424	8.7
152.38261	1.7
161.05991	3.2
161.13255	90.4
179.07059	3.8
179.14314	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03946	2.7
55.01876	9.0
55.05518	8.4
56.96562	3.3
57.03457	8.1
57.07080	2.3
64.26649	1.4
65.03940	1.7
67.05181	1.4
67.05515	26.2
68.01515	1.3
69.03433	2.1
69.07082	8.6
69.43200	5.5
69.43621	5.4
71.04988	5.5
79.05501	24.0
81.06578	2.5
81.07064	52.5
83.04984	9.6
83.08611	3.9
84.63813	1.4
85.06542	4.4
85.32442	1.3
86.10488	1.3
90.09811	1.3
91.05491	51.9
93.06474	2.5
93.07051	46.6
95.04961	4.5
95.08618	63.3
97.06537	15.7
98.20778	3.2
98.97577	1.4
99.08099	2.1
103.05420	1.7
105.07040	52.1
106.44935	1.4
107.08607	20.6
109.06495	7.9
109.10180	7.4
111.08127	2.2
115.52609	1.5
117.06985	3.4
119.04947	14.0
119.08594	57.9
119.09467	2.8
121.06476	1.9
121.10157	19.6
123.04409	5.2
123.08083	12.1
131.08565	2.1
133.02837	6.3
133.06508	8.2
133.10139	41.9
134.66844	1.5
135.04451	1.8
135.11710	40.3
137.06006	2.2
137.09621	5.1
137.13278	2.9
146.03647	1.9
147.04425	25.2
161.05997	9.8
161.13271	92.9
162.13687	2.7
179.03418	29.3
179.07010	16.9
179.08862	4.3
179.10678	3.4
179.14325	100.0
180.06587	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1433
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.78458	1.5
53.03947	4.2
55.01873	14.3
55.05520	10.0
57.03442	7.8
57.07071	3.6
65.03934	2.1
67.05169	2.6
67.05513	39.3
69.03439	4.2
69.07069	19.4
71.04991	11.1
71.56689	2.9
77.03933	2.1
79.05499	35.3
81.07064	79.2
83.04999	10.1
83.08609	4.9
85.06549	7.0
89.03907	2.9
91.05486	56.5
93.07051	46.8
95.04993	8.1
95.08615	88.7
97.06543	30.2
99.08096	5.3
103.05472	2.3
105.03430	4.2
105.04500	1.5
105.07037	87.1
107.04959	1.9
107.08611	24.5
109.06525	7.0
109.10162	18.5
111.08086	6.5
115.05452	3.0
117.03399	1.8
117.07010	2.2
119.04960	18.9
119.08587	58.1
121.06494	2.9
121.10154	24.1
123.04424	13.2
123.08094	15.7
123.11706	10.9
123.81034	1.4
131.08614	3.3
133.02856	16.1
133.06514	12.1
133.10138	83.6
135.04393	3.9
135.11713	30.4
136.11900	1.5
137.05988	4.4
137.09612	8.0
137.13290	2.2
146.03671	3.1
147.04420	42.5
149.05911	1.6
151.03951	2.9
151.07616	3.5
151.11226	4.2
161.06033	14.9
161.09669	10.2
161.13268	89.1
179.03421	75.5
179.07098	22.6
179.08620	3.0
179.10689	20.9
179.14330	100.0
180.06631	2.4
180.36810	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0882
Annotation	D-(+)-Glucosamine hydrochloride
Peak:m/z	Relative Intensity
55.02985	0.6
55.14867	0.3
56.96557	0.8
60.82527	0.2
67.29160	0.2
69.03419	0.6
69.58605	1.7
70.06612	0.2
70.65728	0.2
71.04991	0.3
71.06129	1.5
78.12678	0.2
79.05492	0.4
79.48618	0.2
80.05010	0.4
82.04070	0.6
85.02925	0.4
89.03912	0.6
91.05486	0.5
91.87238	0.3
93.69016	0.3
98.97594	9.4
106.06573	0.3
107.02453	0.5
108.04501	1.0
109.02838	0.2
110.03539	17.5
112.07605	1.0
116.98648	4.0
117.03394	0.4
120.05398	0.3
120.08095	0.4
121.06519	1.3
122.05972	0.3
122.06868	0.6
124.05125	0.4
125.03548	0.2
128.04555	1.0
134.06029	0.3
134.99661	1.1
135.03012	2.8
135.04497	1.2
135.06670	0.6
136.03775	0.3
137.04585	0.5
137.06021	0.4
137.08235	5.3
138.09131	0.5
143.71777	0.2
145.02832	0.9
147.05417	0.4
148.04745	0.4
149.04610	0.6
151.06230	0.8
152.07022	1.3
153.04083	3.6
162.06537	0.5
162.07787	2.1
162.09184	1.6
163.03915	4.1
163.06172	0.7
165.06467	1.8
178.07315	0.4
179.54869	0.3
180.08823	100.0
181.07260	0.2
181.09100	0.8
193.68492	0.3
198.95239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03942	0.3
57.36154	0.3
57.60410	0.2
63.02377	0.5
63.66877	0.2
65.03931	0.5
66.16899	0.2
69.84509	1.3
79.05500	2.9
83.04984	0.4
89.03920	12.2
89.04483	0.6
89.87554	0.3
91.05477	1.3
92.92499	0.2
93.03422	0.6
93.07053	0.6
95.04964	0.3
98.97584	0.5
107.04960	4.4
107.08580	0.3
107.54889	0.3
111.04433	0.9
117.03385	17.0
118.03720	0.2
119.04925	0.5
121.02914	0.4
121.06524	0.3
135.04422	30.8
136.04784	0.3
137.05972	0.5
139.03926	2.7
140.06013	0.3
145.02850	21.1
146.03183	0.3
153.05504	0.6
163.03909	100.0
164.04243	1.2
181.04944	1.6
181.08542	0.5
186.05438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48237	0.2
53.03944	0.3
59.22474	0.3
63.02376	0.5
65.03935	0.6
66.78484	0.2
67.59901	0.2
68.25892	0.2
69.39658	1.8
69.54758	0.2
79.05501	3.0
89.03926	13.1
89.24863	0.2
91.05474	0.7
93.03401	1.0
93.07076	0.3
95.04976	0.4
98.21513	0.3
98.97581	1.7
107.04976	4.6
107.08595	0.6
110.99577	0.2
111.04446	0.7
116.98637	0.8
117.03391	18.2
119.04951	0.3
121.02903	0.5
135.04434	30.4
139.03876	0.7
145.02864	21.4
145.03868	0.8
147.82233	0.3
149.02359	0.9
163.03922	100.0
164.04248	0.9
167.03358	0.4
181.04979	1.6
181.06311	0.3
186.05519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.00937	0.4
53.03946	0.4
55.01871	0.5
55.05501	0.4
61.45617	0.4
65.03951	3.3
67.05517	0.8
69.89813	0.4
79.05495	4.9
81.07059	1.2
83.41470	0.4
88.48214	0.4
89.03921	12.3
91.05505	1.6
93.03410	5.5
93.07041	2.6
95.04964	1.6
97.06531	0.5
98.21609	0.6
98.97585	4.0
105.07066	0.7
107.04964	6.3
107.08608	3.8
111.04456	0.6
116.98611	1.3
117.03388	16.7
117.07043	0.5
121.02866	9.5
121.10153	4.2
125.06028	0.9
135.04422	29.8
135.11734	1.0
139.03902	0.9
145.02859	19.8
145.10211	0.8
149.02353	7.3
153.05482	2.2
163.03917	100.0
163.11208	1.9
164.04251	1.1
165.07019	0.7
166.07814	1.4
167.03452	3.0
181.04996	6.8
181.06520	1.0
181.08647	0.5
181.10129	2.1
181.12259	1.2
186.05617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	CHEBI:69195
Peak:m/z	Relative Intensity
51.87967	0.7
53.00302	2.4
53.03955	1.3
53.10891	0.6
53.71475	0.7
55.01888	1.1
56.96561	2.3
61.02966	0.8
61.53065	0.7
63.69945	0.7
65.03944	41.4
67.05504	3.5
69.03432	1.2
69.07085	0.7
70.24117	2.7
71.95279	1.2
79.05513	4.4
81.03428	1.4
81.07069	2.7
82.04201	2.2
83.04989	1.1
89.03925	1.4
90.28107	0.7
91.05478	1.6
93.03410	52.5
93.07066	2.2
94.04207	1.9
95.04975	4.7
95.99948	0.7
97.06538	4.9
98.20757	0.9
98.97594	29.6
103.14704	0.7
107.08616	1.7
110.03694	1.0
111.04430	3.7
112.84387	0.7
116.98634	11.6
121.02876	100.0
121.06484	1.7
121.10169	4.5
122.06855	5.3
125.05991	2.7
132.24380	0.7
134.99675	3.0
135.04446	2.0
135.08075	0.9
135.11694	1.1
139.03911	3.1
140.00275	1.4
149.02354	54.7
152.04681	0.9
153.05473	31.4
158.01254	1.2
163.03905	5.7
163.11224	1.6
167.03418	29.6
181.04974	95.0
181.06775	6.3
181.12259	2.0
182.91847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03941	0.8
55.01875	0.6
55.05514	0.6
56.96568	3.7
63.98837	0.4
65.03948	5.2
65.26041	0.4
67.05508	0.8
69.07072	0.6
70.09702	1.6
70.49695	0.4
71.05033	0.4
71.95279	0.6
77.03931	0.5
79.05504	5.4
81.07045	1.0
83.04981	0.9
87.70860	0.4
89.03918	14.9
91.05518	2.1
93.03400	5.3
93.07048	3.1
95.04964	2.1
95.08607	0.7
97.06554	0.7
98.21370	0.5
98.97591	54.0
99.58433	0.4
105.04553	0.5
105.07024	0.7
107.04974	6.1
107.08607	3.9
111.04446	1.5
116.98626	21.2
117.03385	19.2
117.07044	0.6
119.04957	0.9
119.08564	0.8
121.02882	6.6
121.06482	0.7
121.10151	5.1
123.04427	1.1
123.08015	0.6
125.05984	0.8
130.58603	0.4
134.99687	6.0
135.04425	35.7
135.08038	1.3
135.11681	1.4
137.09644	0.5
139.03937	1.8
140.00174	2.7
145.02861	23.1
145.10107	1.1
149.02336	5.7
153.00706	0.6
153.05472	3.8
158.01263	1.8
163.03917	100.0
163.11198	1.9
164.04271	1.3
166.07730	0.4
167.03409	4.9
169.90471	0.4
181.05000	6.8
181.08592	0.9
181.12274	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
57.07080	0.7
59.04986	1.5
67.05498	1.6
69.03419	1.0
69.07053	1.7
69.52795	1.6
69.53222	2.7
79.05491	2.6
81.07053	3.7
83.04977	0.7
88.33457	0.6
91.05491	1.7
93.07050	12.3
95.04932	0.6
95.08607	9.1
95.98885	0.5
97.06526	1.2
98.20744	1.2
98.97592	12.4
105.07018	1.9
107.04961	1.1
107.08600	24.1
109.10145	1.3
111.04433	1.0
111.08131	0.8
116.98618	4.5
119.08597	3.5
121.06509	2.5
121.10151	11.5
123.08074	2.4
125.05986	2.0
134.99651	1.0
135.11699	32.6
137.13284	0.8
139.07549	5.0
145.10114	7.7
153.12741	1.3
163.11188	23.8
181.12242	100.0
182.12489	0.7
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
52.08989	1.4
55.01843	1.5
55.05497	3.4
56.96554	4.7
57.04546	3.9
57.07077	29.1
58.75207	1.2
59.04984	2.9
65.30148	1.4
67.05491	2.6
69.03436	1.8
69.07058	4.1
69.75878	7.3
71.06088	2.3
71.95266	2.0
79.05499	13.8
81.03415	6.5
81.07069	6.6
83.04986	60.3
91.05463	2.8
93.07047	9.0
95.04974	17.8
95.81413	1.6
97.06537	38.2
98.07170	3.4
98.97590	66.6
99.05588	19.7
105.07028	4.4
107.04953	4.1
107.08584	9.3
116.97815	2.7
116.98630	43.7
117.07012	2.3
119.08525	3.5
121.06516	3.7
121.10146	14.7
122.07114	1.7
125.06004	97.5
130.07774	1.6
134.99672	22.2
135.08066	1.7
135.11708	6.0
139.09842	1.6
140.00230	12.8
143.08498	1.6
144.36334	1.6
145.10130	11.3
153.00742	2.2
153.05457	2.5
158.01273	9.8
163.03889	4.3
163.11192	100.0
181.02773	2.5
181.04974	3.8
181.10866	3.1
181.12253	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Jasminanhydride
Peak:m/z	Relative Intensity
51.02367	2.3
53.03944	25.2
54.05072	1.3
55.01874	9.6
55.05510	8.8
56.96560	4.9
57.03436	9.3
58.63132	1.2
59.04982	2.1
61.02928	7.3
65.03939	8.8
66.04739	1.6
67.05503	41.1
69.03433	68.6
69.41164	11.3
70.98127	2.7
71.01369	1.3
71.04990	9.8
73.02892	1.5
77.03926	6.1
79.01871	2.2
79.05495	54.1
81.03422	20.6
81.07066	13.5
81.84316	1.3
83.04981	22.4
85.02909	15.1
86.30248	1.5
87.04476	7.2
87.04974	1.2
91.05489	10.0
93.07037	4.4
94.04160	6.4
95.04972	100.0
95.08607	5.0
97.02890	2.3
97.06532	9.6
98.98469	3.5
99.04445	9.0
100.97164	2.2
100.98019	1.8
103.03926	2.9
105.03403	20.3
105.04502	8.8
105.07014	1.8
107.04990	7.9
108.05684	1.3
109.02886	28.8
109.06523	71.5
109.10184	1.5
111.04449	23.0
111.08059	2.1
113.06002	2.5
116.87249	1.1
118.85361	1.2
119.08568	2.1
121.02802	1.6
123.00832	1.6
123.04433	79.0
123.08050	2.2
124.04786	1.5
124.05310	1.1
125.05926	1.8
127.06766	1.4
127.07539	8.9
128.53296	1.2
129.05469	5.9
133.02847	5.5
137.05988	34.4
139.03908	30.8
139.04909	2.8
139.07530	4.5
140.04688	5.2
141.05464	42.9
141.06563	2.7
142.03500	1.4
144.98039	1.4
147.06554	4.8
149.24767	1.2
150.52632	1.3
151.03902	49.2
153.05475	23.6
155.05939	2.2
155.07037	7.1
158.99655	4.0
159.53276	1.7
165.05475	53.2
165.09100	1.3
169.05005	12.7
177.00722	3.1
183.06549	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0655
Annotation	4-hydroxy-3-methoxymandelaldehyde
Peak:m/z	Relative Intensity
53.03940	5.0
55.01872	2.4
55.05508	3.6
56.96571	1.9
57.03442	5.6
61.02924	6.8
65.03943	4.2
67.05518	7.0
68.99798	5.0
69.03435	48.4
71.05001	2.6
71.40368	1.5
73.02917	1.7
75.26759	0.7
77.03929	2.8
79.05497	6.0
81.03435	3.1
81.07066	2.5
82.04185	1.2
83.04986	13.0
85.02905	13.8
87.04484	3.5
91.05481	2.5
93.03436	4.2
93.07047	1.7
94.04182	2.3
95.04977	19.6
95.08640	1.1
97.06539	3.1
98.97549	1.0
98.98463	1.4
99.04474	7.3
100.97194	1.3
100.98025	0.9
101.00872	2.0
103.03938	2.2
103.05376	0.7
105.03403	6.8
105.04502	1.6
105.07034	1.1
107.04961	4.3
109.02934	1.0
109.06518	8.5
109.10136	1.7
110.03671	4.5
111.04461	10.5
117.05440	1.1
119.01936	2.6
121.02892	2.2
121.06527	4.9
122.03681	1.3
123.04443	38.3
123.08109	1.4
125.02332	1.7
125.06002	100.0
129.05499	3.2
130.77040	0.7
133.02866	10.7
135.04414	2.9
137.05991	24.1
138.03104	0.9
139.03915	3.7
139.07556	2.5
140.04697	6.3
142.03514	1.5
143.01918	2.6
147.04398	0.9
147.06529	3.4
151.03928	13.2
151.05072	0.9
152.04689	1.1
153.05478	88.4
154.05800	1.2
155.07057	3.5
161.02962	1.8
162.46970	0.8
165.04160	1.4
165.05501	22.0
183.06540	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	4-hydroxy-3-methoxymandelaldehyde
Peak:m/z	Relative Intensity
53.03953	3.2
55.01878	2.9
55.05518	2.2
57.03437	3.1
61.02928	3.6
65.03942	4.5
67.05511	6.6
68.99805	4.7
69.03433	25.1
69.97335	0.7
69.99817	3.5
71.05016	2.3
73.02918	1.3
77.03940	2.2
79.05485	3.4
81.03420	2.1
81.07068	2.2
82.04221	1.1
83.04990	7.2
85.02916	6.0
87.04483	2.7
91.05491	2.5
93.03400	3.2
93.07041	2.9
94.04196	1.9
95.04977	23.0
95.08633	0.8
97.06542	3.4
98.21481	1.1
98.98457	1.1
99.04467	4.4
100.97192	0.9
101.00890	1.6
103.03964	1.1
105.03403	3.2
105.04509	1.2
107.04970	1.6
109.06533	4.0
109.10145	1.2
110.03659	4.2
111.04461	7.1
119.01981	0.9
121.02882	1.9
121.06517	6.6
122.03709	0.8
123.04436	29.2
123.08060	1.1
125.06001	100.0
126.06413	0.9
129.05492	2.5
133.02850	0.9
135.04411	1.4
137.05989	19.7
137.09613	1.4
139.03969	1.6
139.07497	1.2
140.04652	6.0
141.05496	0.9
143.01929	2.9
147.04401	0.8
147.06538	1.5
151.03915	5.6
151.05006	1.2
153.05478	94.2
154.05762	0.8
155.07069	5.4
155.08351	0.9
159.52727	0.6
160.32185	0.7
161.03006	1.6
165.05484	13.2
165.09213	0.8
171.05727	1.3
171.55772	0.7
171.96715	0.6
183.06558	19.6
183.10143	0.9
200.72163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	4-hydroxy-3-methoxymandelaldehyde
Peak:m/z	Relative Intensity
50.26210	0.9
50.30166	0.9
51.02373	1.1
53.03945	5.7
55.01879	6.3
55.05519	11.3
56.96562	1.4
57.03188	1.3
57.03440	17.3
59.05001	1.0
61.02935	13.5
65.03932	4.8
67.05502	13.4
68.99796	5.1
69.03432	100.0
69.07053	2.9
69.86369	5.2
71.01350	2.7
71.04997	7.6
73.02914	4.6
77.03934	3.2
79.05490	9.0
81.03423	6.8
81.07059	12.2
82.04206	1.1
83.04987	26.3
85.02908	28.8
85.06526	3.0
86.09708	1.6
87.04478	12.5
91.03979	1.6
91.05493	8.5
93.03413	2.8
93.07049	7.0
94.04176	1.6
95.04976	16.7
95.08614	8.0
97.02937	1.2
97.06535	4.5
98.21272	2.0
98.97581	1.4
98.98479	1.3
99.04467	14.6
101.00891	4.4
101.02393	1.5
103.03943	4.6
103.05487	3.9
105.03408	7.0
105.04495	2.0
105.07030	3.6
105.84710	0.9
107.04979	6.1
109.02930	1.5
109.06520	13.3
109.10160	3.9
110.03671	3.9
111.04448	17.9
113.02359	2.5
117.05536	1.3
119.01917	3.9
119.08588	4.1
121.02879	1.9
121.06507	25.8
122.03699	0.9
122.06840	2.5
123.04439	43.5
123.08085	14.9
124.05219	1.7
125.00040	1.4
125.02315	1.7
125.05997	77.6
126.06399	1.0
129.05498	9.2
129.06947	1.1
133.02861	17.3
135.04459	4.7
137.05989	26.7
137.09628	11.2
139.03888	4.3
139.04994	1.0
139.07529	3.4
140.04701	3.7
141.05370	1.3
141.09152	1.2
143.01904	11.0
144.02054	1.5
147.04417	2.7
147.06607	4.7
147.08041	3.8
151.03922	22.6
151.05103	2.6
153.05473	74.6
154.05869	1.3
155.07051	4.5
155.08533	5.3
155.10696	2.8
161.03032	5.9
162.05284	2.9
162.55414	1.2
165.04190	1.5
165.05496	21.6
165.07671	2.1
165.09050	7.5
166.76579	1.0
168.04126	2.3
168.05614	1.5
171.05800	3.6
174.18024	1.0
183.06537	32.6
183.08110	9.8
183.09862	4.7
183.11658	1.3
184.07343	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	183.0867
Annotation	D-Sorbitol
Peak:m/z	Relative Intensity
50.80873	0.7
55.01865	3.6
55.05516	7.4
56.96565	1.0
57.03440	12.0
59.05014	0.9
61.02933	12.0
64.19189	0.8
66.61189	0.8
67.05458	0.8
69.03435	100.0
70.24755	2.8
70.25152	1.7
71.04984	4.4
73.02927	4.8
79.77741	0.8
81.03424	3.5
83.04987	22.6
85.02911	19.2
86.09695	0.9
87.04471	8.2
91.03962	0.8
95.04971	1.1
99.04464	13.0
101.00871	3.9
103.03951	3.4
111.04448	11.4
119.01923	3.7
123.04464	1.8
125.05999	1.0
127.16664	0.8
129.05499	9.0
142.03477	2.4
147.06584	5.7
160.04591	1.2
175.67934	0.9
200.28418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67481	0.7
53.03949	4.7
55.01869	3.0
55.05287	0.9
55.05514	8.1
57.03439	16.0
61.02643	0.9
61.02934	14.3
63.54602	0.7
65.03937	1.1
67.05500	1.2
69.03436	100.0
69.77769	4.4
71.01363	0.9
71.04993	5.6
73.02930	5.9
81.03408	3.7
82.99844	2.4
83.04988	22.2
85.02428	1.3
85.02914	19.5
86.09689	2.0
87.04478	7.9
91.03977	1.2
91.05499	5.8
93.07063	5.8
95.04945	2.2
97.02873	1.7
99.04462	13.8
100.00130	1.1
101.00893	20.7
103.03970	3.7
103.05473	4.7
105.64993	0.9
107.04954	1.8
109.02862	1.1
111.04454	11.2
113.00884	0.8
117.05495	1.9
119.01933	25.1
121.06520	34.3
121.52982	0.8
122.06840	3.3
123.04406	0.9
124.02470	1.1
125.00019	1.0
129.02969	0.9
129.05508	9.1
131.01875	1.5
137.02956	3.2
138.06725	0.8
142.03511	10.3
143.01910	16.8
144.02034	2.7
145.01593	1.7
145.03470	1.2
147.06557	6.7
155.01866	1.9
157.03438	1.8
160.04539	4.2
161.02975	11.8
162.02969	1.0
162.05264	2.5
162.55344	1.0
165.07651	1.7
171.05856	4.9
171.55922	2.0
173.02972	1.4
177.24609	0.8
179.04031	2.2
179.05545	1.2
180.05910	0.8
180.56474	1.1
183.06717	0.8
184.07359	3.5
185.02962	2.5
203.03984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0867
Annotation	L-Iditol
Peak:m/z	Relative Intensity
50.11512	0.6
50.57697	0.7
53.03956	3.3
55.01877	3.4
55.05513	8.0
56.96574	1.1
57.03181	1.1
57.03444	13.1
58.64704	0.6
59.05013	0.8
60.08161	0.9
61.02935	14.0
67.05511	0.9
69.03437	100.0
69.56096	0.7
71.05002	5.2
71.47836	1.2
73.02924	3.8
74.47997	0.7
79.04964	0.8
81.03436	4.9
82.99873	1.0
83.04993	22.6
85.02916	22.4
86.09703	3.7
87.04479	10.0
91.03967	1.8
91.05515	3.0
93.07047	3.7
95.04990	1.5
97.02884	1.3
99.04466	14.1
101.00903	7.4
103.03991	4.7
103.05479	2.5
105.04533	0.8
107.04940	1.0
111.04462	12.8
117.05537	1.0
119.01928	8.8
121.06517	17.5
122.06847	2.2
123.04471	0.8
124.05097	0.8
125.00041	2.9
129.05505	9.1
142.03526	3.7
143.01909	7.9
145.01619	0.9
145.03531	1.2
147.06544	7.3
157.03532	1.6
160.04605	1.0
161.02998	6.2
162.03102	1.2
162.05342	2.4
165.10147	0.8
171.05821	3.6
180.06288	0.7
184.07393	3.6
185.03110	0.9
186.22360	0.8
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	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
53.03949	6.6
55.01879	9.8
55.05515	32.7
57.03430	4.6
57.07067	4.0
65.03937	4.7
67.05508	78.1
68.99795	100.0
69.03431	25.3
69.07076	9.6
70.73337	3.6
71.01363	10.0
71.05004	11.0
73.58421	1.3
79.05502	23.1
81.03429	10.0
81.07061	97.7
83.04982	15.1
85.02902	3.7
85.06541	2.2
87.00835	33.0
91.05483	30.2
93.07049	37.1
95.04974	55.0
95.08612	52.0
97.02907	9.1
97.03465	2.1
97.06541	4.6
97.10174	9.9
98.20994	2.0
99.04457	3.0
105.03388	8.3
105.04523	2.1
105.07035	9.2
107.04971	5.6
107.08591	2.3
109.02881	6.0
109.06539	11.0
109.10163	35.0
111.04448	14.6
117.07019	6.2
119.08587	42.0
121.06510	7.3
123.04432	38.8
123.08053	19.5
125.06016	3.3
127.03978	3.4
129.07014	3.4
132.05733	1.8
137.06013	4.7
137.09618	44.4
147.08044	27.1
147.09082	2.7
153.05476	1.5
162.21265	1.4
165.09128	70.1
183.10167	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1017
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
53.03947	7.9
55.01879	11.3
55.05514	38.2
56.38137	1.3
57.03428	5.4
57.07074	3.2
61.02915	2.3
65.03933	3.6
67.05509	79.0
68.99793	99.0
69.03077	2.7
69.03436	36.0
69.07080	7.9
69.42439	9.4
71.01365	8.7
71.04995	14.2
71.06688	1.5
72.99298	1.2
79.05499	29.1
81.03429	9.5
81.07061	100.0
83.04980	20.2
85.02890	6.4
85.06531	3.3
87.00838	36.7
87.04468	1.7
91.05493	32.8
93.06470	2.0
93.07050	38.4
95.04975	56.1
95.08611	58.4
97.02901	9.9
97.06521	5.9
97.10159	12.6
98.21238	6.0
99.04453	4.6
99.08072	1.7
103.05463	2.1
105.03405	8.3
105.07045	11.0
107.04944	5.0
107.08578	4.1
109.02877	8.4
109.06528	13.0
109.10160	36.4
111.04441	14.0
117.07027	3.9
119.04918	1.3
119.08590	42.8
121.06486	8.8
121.10133	2.6
123.04441	40.3
123.08079	24.5
127.03893	3.9
129.05441	1.8
129.07033	2.0
132.05707	1.7
137.05991	4.7
137.09625	49.8
141.05452	1.2
147.06418	1.8
147.08055	33.1
165.09120	76.0
183.10172	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	183.1018
Annotation	Bis(2,3-epoxycyclopentyl)ether
Peak:m/z	Relative Intensity
50.52190	0.2
53.03944	1.2
55.01866	0.9
55.05511	2.0
57.03438	1.5
57.07064	0.4
57.49124	0.2
59.04981	0.6
61.02919	0.8
61.91473	0.2
65.03948	0.3
67.05172	0.3
67.05509	4.3
68.37958	0.2
68.99440	0.2
68.99798	4.8
69.03434	6.9
69.07057	0.8
69.76714	1.5
71.01347	0.3
71.04992	0.9
71.08641	2.0
73.02915	0.3
73.29053	0.2
73.76178	0.2
75.98300	0.2
79.05492	0.8
81.03416	2.8
81.07060	2.8
83.04985	1.7
85.02929	1.7
87.00829	3.1
87.04472	0.6
87.28729	0.2
87.97345	0.2
91.05482	1.6
93.07040	0.8
94.48602	0.2
95.04977	2.2
95.08624	2.6
97.06511	0.4
99.04447	1.2
99.08105	2.2
105.03399	0.8
105.07018	0.3
107.08608	0.3
109.02909	1.8
109.06523	0.5
109.10171	0.7
111.00793	0.2
111.04445	1.0
113.02371	1.4
117.06990	0.3
119.08594	0.9
121.06464	0.3
121.10192	0.4
123.04433	1.9
123.08048	0.6
123.11771	0.3
125.05991	0.4
126.03136	3.8
127.03902	1.0
129.05463	0.7
137.05948	0.5
137.09610	0.7
139.07515	0.3
141.09109	0.7
147.06377	0.3
147.08109	0.3
147.11705	0.4
155.07050	0.4
155.10686	2.2
165.04411	0.4
165.09186	0.3
165.12701	0.3
183.10179	100.0
184.10507	1.0
189.39493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1018
Annotation	Crocusatin I
Peak:m/z	Relative Intensity
53.03946	6.5
53.09970	1.1
55.01881	7.0
55.05268	1.3
55.05516	23.6
56.96548	2.4
57.03439	14.3
61.02930	11.4
65.03939	2.7
67.05505	16.5
69.03436	100.0
69.06789	1.3
69.07080	13.3
71.05003	8.2
71.56086	1.7
73.02905	5.4
79.05490	8.7
81.03424	17.2
81.07063	15.3
83.04987	34.8
85.02914	24.3
85.06538	1.9
87.04478	9.5
91.03967	1.6
91.05494	23.8
93.03419	2.3
93.07066	13.2
95.01339	82.7
95.04977	22.5
95.08053	1.5
95.08615	18.4
97.02908	1.2
97.06531	5.5
98.98468	2.9
99.04460	18.3
100.97144	2.3
100.97995	1.4
103.03942	3.8
105.03377	4.0
105.04541	1.4
105.07039	8.3
106.79951	1.1
107.04953	3.7
107.08591	4.0
109.02869	4.5
109.06508	5.4
109.10164	8.8
110.03673	11.4
111.04452	48.2
117.05491	1.5
117.06969	2.1
118.98275	2.0
119.04969	1.3
119.08590	59.4
121.06522	4.1
121.10185	6.6
123.04438	30.3
123.08078	21.7
123.11681	5.3
124.05202	1.9
125.05994	5.4
129.05489	9.1
129.07016	2.4
137.05984	4.1
137.09615	10.9
139.07529	1.9
140.04604	1.4
141.05399	1.5
147.06537	4.5
147.08046	18.1
147.11673	3.3
149.25606	1.1
151.03885	1.7
153.05453	3.8
155.07016	1.5
155.08574	2.3
165.05476	3.8
165.09131	61.3
165.12691	1.5
183.06561	8.4
183.07921	2.2
183.10271	10.5
183.13914	1.6
184.07396	1.5
193.59547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1018
Annotation	Crocusatin I
Peak:m/z	Relative Intensity
53.03944	6.2
55.01882	8.5
55.05515	27.8
56.96578	2.3
57.03448	14.4
59.92000	1.4
61.02937	12.1
62.76378	1.4
65.03932	2.0
67.05519	15.3
69.03438	90.8
69.07079	13.8
69.54723	1.8
70.95873	3.8
71.04990	4.6
73.02904	3.6
79.05489	6.5
81.03428	15.8
81.07061	9.7
82.04218	2.1
83.04988	31.0
85.02917	16.0
85.06540	2.3
86.09731	1.6
87.04480	9.6
91.05495	27.5
93.07066	10.3
95.01342	100.0
95.04984	13.0
95.08627	14.8
97.06538	4.2
97.79471	1.3
99.04472	11.3
103.03934	4.2
105.07047	3.7
107.04967	2.6
109.02898	5.6
109.06528	3.9
109.10152	6.5
110.03676	13.8
110.04384	2.1
111.03696	3.1
111.04458	51.4
113.74496	1.5
117.06992	2.1
119.08593	68.3
121.06494	4.0
123.04444	19.0
123.08076	21.6
124.19271	1.4
125.06022	1.5
129.05515	7.2
129.07011	2.9
133.02888	2.3
137.05971	2.9
137.09621	11.7
139.07547	3.2
139.11412	1.6
147.06511	5.5
147.08076	18.2
152.27751	1.4
155.07051	2.3
165.05479	4.9
165.09132	69.0
165.79770	1.5
183.06560	5.5
184.07382	1.4
199.90744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1018
Annotation	Crocusatin I
Peak:m/z	Relative Intensity
53.03942	4.9
54.18789	1.4
55.01862	6.6
55.05268	1.6
55.05517	28.4
56.96563	1.8
57.03441	15.4
61.02925	10.3
65.03951	1.9
67.05510	15.6
69.03433	89.1
69.07062	14.2
71.04987	6.3
71.17496	2.6
73.02908	4.6
79.05486	6.0
81.03420	17.0
81.07063	11.3
82.29070	1.5
83.04992	35.5
83.64887	1.6
85.02912	17.2
87.04491	7.8
91.04960	2.6
91.05488	30.2
92.05775	1.6
93.07037	12.9
95.01335	100.0
95.04978	15.1
95.08607	15.0
97.06522	4.8
98.98455	3.3
99.04449	13.6
103.03923	2.4
105.03419	4.0
105.07051	5.1
107.05000	1.9
109.02876	3.7
109.06537	4.2
109.10144	6.1
110.03680	15.1
111.03706	2.9
111.04449	43.5
119.01842	1.4
119.08586	67.8
121.06526	2.4
122.51159	1.4
123.04433	18.4
123.08072	21.6
125.05980	1.7
129.05460	7.7
129.06966	3.2
133.02829	1.5
137.09644	10.1
139.07524	2.1
147.06538	5.5
147.08047	18.9
147.29890	1.4
151.03870	2.0
155.07022	2.3
165.05461	2.4
165.09128	73.6
183.06541	8.3
199.75160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37363	0.7
70.37751	0.8
72.28503	0.3
82.99846	6.1
85.41268	0.3
100.02489	0.4
101.00890	59.5
101.95010	0.4
102.00964	0.8
111.00486	0.4
119.01930	100.0
120.02037	1.3
124.02457	4.6
137.02962	14.2
142.03514	26.8
143.01918	1.4
143.03667	1.2
154.08176	0.3
160.04579	3.5
161.02971	16.1
161.04285	0.5
179.04031	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.0
57.03439	0.5
60.08158	0.9
61.02924	0.7
65.92637	0.3
69.03419	1.4
70.03759	1.1
70.06582	0.7
70.20855	1.5
71.07359	0.6
73.02910	1.0
80.09458	0.3
80.94963	1.5
82.93605	0.3
82.99842	6.2
83.25500	0.4
83.61868	0.3
85.02911	1.5
86.09707	4.9
97.01453	0.4
97.02881	0.7
98.03815	0.3
98.97569	0.3
98.98458	0.6
99.02950	0.4
100.02468	0.5
101.00883	51.3
102.00951	1.5
102.02396	0.6
103.00643	0.4
103.05416	0.4
109.02851	0.3
112.04776	0.4
113.00861	0.4
115.02392	0.7
117.04005	0.7
119.01923	100.0
120.01986	1.7
121.06525	1.7
121.97550	1.4
122.06867	0.5
124.02451	4.0
124.93902	0.5
125.00017	3.9
128.03981	0.3
129.03088	0.9
131.01924	0.5
133.03415	0.7
133.04286	0.4
136.07620	0.4
137.02959	14.9
142.03503	27.6
142.94971	1.1
143.01930	4.2
143.03609	1.3
145.01604	0.6
157.03458	0.6
160.04573	4.1
160.95973	0.6
161.02963	19.1
165.05121	0.4
165.96552	1.3
166.09761	0.6
172.05696	0.3
179.04001	13.0
183.97560	1.0
184.04572	1.3
184.07326	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	184.058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
54.37632	1.6
55.01880	11.2
55.05503	1.9
56.96574	1.6
57.03444	14.3
58.99858	2.6
60.08150	1.7
61.02935	15.5
61.41333	1.7
62.31346	1.5
69.03436	26.5
70.03764	13.0
71.04999	2.7
71.56611	2.2
73.02924	33.3
81.01893	4.3
81.03411	7.8
82.99834	8.0
83.04966	6.3
84.05293	3.3
85.02914	23.2
86.03236	2.7
86.09723	9.0
87.01881	4.2
87.04457	3.8
88.02692	2.3
90.02428	2.0
93.01865	2.6
94.02654	5.4
96.02387	3.2
97.02893	14.4
98.97593	2.7
98.98502	2.0
99.01892	2.2
99.04448	6.8
100.00195	1.6
100.02646	5.6
100.04803	3.3
101.00887	66.2
101.01567	3.6
102.00950	2.5
102.02416	14.5
103.02516	1.5
103.03208	4.3
104.10744	9.2
107.03413	2.8
108.02389	6.5
109.02972	2.0
111.02917	9.7
111.04453	1.9
111.52986	2.1
112.02611	1.8
112.03725	9.4
112.04755	3.4
113.00867	6.4
114.02409	5.6
115.02409	4.6
115.03183	5.7
115.53212	1.8
117.02912	6.6
119.01929	100.0
120.01952	1.8
121.03255	2.0
121.04221	6.9
123.02924	15.0
124.03682	6.2
124.99995	7.0
126.03441	3.3
127.02425	3.1
127.03914	6.8
129.02971	8.2
129.53151	2.6
130.03697	4.5
131.01901	11.8
132.01978	1.7
132.03432	5.2
133.03406	3.6
133.04242	5.5
135.02925	1.8
136.03720	3.6
136.53661	1.8
137.02985	17.5
137.03979	2.1
137.04456	2.6
138.03424	7.0
139.02390	3.3
139.04182	6.2
140.04970	2.2
142.03525	16.1
143.01918	26.4
144.01894	2.0
145.03427	6.4
145.04352	3.5
146.04977	3.0
147.03961	2.4
148.04718	5.2
153.03946	5.3
155.01842	4.1
157.03468	20.8
159.82635	1.9
160.04626	4.7
161.02965	29.4
162.04501	4.4
163.02682	1.8
163.04448	2.5
166.04807	1.9
166.77325	1.8
167.01964	1.8
169.03458	3.0
173.02934	5.3
175.02948	2.6
175.04576	7.1
179.04010	9.6
184.05922	10.2
184.07346	6.5
184.55925	2.7
185.02905	4.5
187.04466	2.8
203.04012	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	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05038	0.9
56.13129	0.5
56.56005	0.4
60.07874	1.0
60.08171	15.9
60.86026	0.5
69.03424	1.2
69.28920	0.4
70.03766	1.3
71.07377	7.1
71.07705	0.8
71.08044	0.5
86.09715	80.0
87.10052	0.7
97.28345	0.5
97.71342	0.5
98.98473	12.1
101.95061	4.9
104.10758	3.2
112.58920	0.5
119.01928	0.6
119.96085	1.7
125.00018	67.0
142.97734	0.6
184.07361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05035	0.9
56.36866	0.5
58.06610	0.9
60.08165	15.6
69.03426	1.2
69.88480	2.8
70.03767	1.9
71.07375	8.1
84.21449	0.5
86.09710	82.0
96.60374	0.6
98.98473	13.3
101.95040	9.3
101.97784	0.6
102.96878	0.8
104.10764	3.5
115.64104	0.5
119.96065	1.7
125.00014	64.3
126.66355	0.5
130.64694	0.5
137.97116	1.3
142.66656	0.5
160.98718	0.6
179.20906	0.5
184.07353	100.0
194.93230	0.6
203.12436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.93383	0.6
56.05030	1.0
56.96560	1.4
57.99195	0.6
58.06599	1.0
60.08172	15.9
60.95859	1.0
61.02917	0.9
63.32106	0.7
69.03422	2.6
70.03764	3.2
71.07375	8.1
71.12309	0.8
71.95274	1.0
75.16615	0.6
79.75560	0.6
84.05318	1.1
86.09712	84.0
98.98483	11.3
99.04393	0.6
100.62897	0.6
101.95040	32.1
101.97189	1.0
102.96866	1.6
103.65826	0.6
104.10732	2.9
114.20515	0.6
119.01916	1.9
119.96082	15.0
120.97912	1.6
124.04750	0.9
125.00016	67.4
130.05809	1.3
137.97116	6.5
137.99884	1.3
138.09190	0.8
142.97633	2.9
152.07106	0.7
155.98189	1.8
160.98708	4.1
178.99774	1.1
184.00362	1.4
184.07356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11930	0.5
53.03949	0.6
54.29992	0.5
55.01873	4.8
55.05526	1.9
56.96558	2.4
57.03442	1.4
57.07081	1.3
60.95858	4.2
64.47169	0.5
65.03945	0.7
66.88103	0.5
67.05511	1.3
69.03429	3.8
69.07069	3.1
70.69738	0.9
70.70088	1.1
71.04999	1.4
75.94535	0.7
79.05499	2.1
81.07057	1.7
83.04998	1.2
83.08648	0.8
85.02921	1.0
91.05466	3.4
93.03384	0.5
93.07050	2.4
95.05001	0.8
95.08614	1.0
97.02908	0.6
97.06566	1.1
97.10164	0.8
101.02364	0.5
101.95057	3.2
102.96873	27.2
105.07041	2.1
107.04952	0.7
107.08588	2.6
111.04469	1.3
111.08080	0.7
114.05602	0.6
115.05462	4.5
117.07037	2.1
119.96085	1.7
120.97912	24.2
121.06501	0.6
121.10147	1.3
125.05226	0.9
125.09608	0.6
126.05514	0.7
126.21954	0.5
128.06250	4.1
129.07014	15.3
137.97134	0.5
138.98950	12.0
139.01842	0.9
139.07553	0.9
139.11195	1.1
141.06993	14.0
142.07785	92.2
143.08580	8.2
143.99509	3.8
144.05702	1.3
145.02876	0.5
145.06491	3.7
149.09618	0.8
152.06229	4.9
153.05441	0.6
155.04930	0.9
155.08545	2.7
156.09380	0.9
156.99997	1.5
157.06532	3.8
157.10132	40.8
158.10406	0.6
159.08028	0.9
162.00589	3.8
162.03264	0.6
162.04419	1.0
165.06999	2.9
165.08266	1.2
166.07805	0.7
167.07109	0.9
167.08548	6.8
167.10718	0.7
169.06468	1.7
169.07663	2.1
170.07272	14.7
170.10910	0.8
185.09616	100.0
185.13118	9.9
186.07616	0.9
186.09886	1.3
186.18498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03931	1.4
53.64578	0.7
55.01875	10.3
55.05515	29.0
57.03431	3.1
57.07082	4.5
63.94563	0.7
65.03925	1.0
67.05511	13.0
68.99795	53.6
69.03439	5.1
69.07072	35.5
69.07456	1.5
71.01362	1.2
71.04969	2.2
71.11958	1.5
73.02909	4.2
74.81927	0.8
74.89126	0.7
79.05498	28.6
81.03418	1.4
81.07062	24.9
83.04988	19.9
83.08623	10.6
87.00836	100.0
91.05482	3.6
93.07056	32.0
95.04993	1.0
95.08620	14.8
97.02917	5.5
97.06544	20.8
97.10180	19.1
99.04452	3.2
105.07017	3.0
107.04970	2.2
107.08603	18.4
109.06509	2.8
110.20260	0.7
111.04448	20.4
111.08104	1.7
111.11702	1.5
121.06512	1.4
121.09308	1.7
121.10157	28.1
123.08064	6.5
123.11672	0.7
125.06033	6.7
125.09640	22.4
131.08566	3.0
131.19611	0.7
139.11195	22.0
141.47420	0.7
142.07790	2.5
143.10695	2.2
147.71422	0.9
148.24121	0.8
149.09642	10.7
157.10127	1.2
167.10690	48.2
184.47241	0.8
185.09708	2.7
185.11748	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	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03933	1.9
55.01871	10.1
55.05513	29.5
57.03420	2.8
57.07070	4.1
59.04990	1.3
67.05502	11.4
68.99793	50.2
69.03432	4.9
69.07071	36.7
71.01362	1.4
71.04980	2.6
71.29861	1.3
73.02912	3.9
79.05496	26.6
81.07060	23.9
83.04984	16.3
83.08626	9.9
85.06505	1.8
87.00834	100.0
91.05470	3.9
93.06470	1.5
93.07048	28.9
95.04940	1.8
95.08614	12.9
97.02913	5.6
97.06537	18.0
97.10170	17.6
99.04446	3.4
105.07063	4.0
107.04947	3.1
107.08601	18.9
109.06518	3.9
111.04447	18.8
111.08067	0.9
113.05968	1.3
115.03893	1.5
121.06515	1.2
121.10146	30.3
123.08086	4.5
123.11739	1.3
125.06006	6.8
125.09638	24.9
125.32887	0.8
126.34351	1.1
129.07014	1.4
131.08549	3.4
139.11191	20.0
142.07779	7.2
143.10663	2.9
149.09653	9.1
157.10130	2.7
167.10681	50.2
168.10950	0.9
170.07275	1.3
182.91182	0.7
185.09634	8.2
185.11725	25.0
185.13153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1175
Annotation	8-Hydroxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
53.03945	2.2
55.01862	1.1
55.05511	7.1
55.16618	0.8
56.96556	3.5
57.03430	3.6
57.07073	2.3
60.95827	1.2
67.05507	7.0
69.03422	4.2
69.07068	7.8
70.86280	2.4
71.04988	4.4
72.08147	2.2
75.04476	3.7
79.05508	8.9
81.03412	3.1
81.07064	22.1
82.38358	1.1
83.04966	3.2
83.08617	6.5
85.02895	2.0
85.06551	9.1
86.09714	3.8
89.03931	1.1
91.05499	6.1
93.06472	1.7
93.07052	35.4
95.04975	5.4
95.08620	10.5
97.06540	3.5
97.10180	3.1
98.97556	1.9
99.08092	2.1
102.96872	11.1
103.87927	1.0
105.07027	4.9
107.04995	1.2
107.08607	28.0
109.06509	4.8
109.10162	2.7
111.04449	3.0
111.08088	100.0
111.11671	0.9
113.05990	1.7
117.03393	1.0
119.01931	1.7
120.02063	1.3
120.97917	6.3
121.06516	1.1
121.09314	1.7
121.10154	24.1
123.04421	1.3
123.08060	3.7
123.11728	3.3
125.02375	1.8
125.06004	3.2
125.09624	11.7
127.07574	1.1
128.06256	1.7
128.98709	1.2
129.07007	3.2
131.08545	1.0
135.08133	2.1
138.98917	3.0
139.03973	1.0
139.07536	2.7
139.11189	4.3
141.09140	3.9
143.00191	1.3
143.08597	0.9
143.10767	1.3
145.02846	1.6
146.99681	1.2
149.07040	1.1
149.09630	4.3
151.85934	0.9
153.09094	17.3
155.10674	1.7
157.06483	1.7
157.10164	1.4
163.01871	1.4
167.03444	1.1
167.07092	1.4
167.10678	12.4
167.14388	0.9
167.25601	1.0
181.02974	2.7
185.04535	1.7
185.06004	2.7
185.09575	1.7
185.11736	13.5
185.13248	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
55.01876	14.4
55.05512	7.4
56.35307	1.1
57.03432	3.3
58.24924	1.1
62.24321	1.1
66.49630	1.2
67.05508	10.0
69.03413	1.4
69.07072	85.5
69.49690	4.5
69.50114	3.8
71.05003	6.3
73.02924	9.6
79.05497	23.5
81.07057	5.8
83.04992	12.6
85.02908	31.7
91.05470	5.3
93.07051	17.5
95.05015	1.7
95.08627	9.0
97.06510	3.5
97.10165	2.0
99.03828	2.3
99.04458	36.3
101.02385	27.3
102.34713	1.1
102.96855	1.4
105.07034	22.2
105.07678	1.8
107.08599	100.0
109.06481	1.5
111.04446	52.9
113.05988	1.8
121.10154	21.4
123.08073	3.5
125.06012	4.4
125.09653	2.5
131.08568	8.5
139.11197	26.4
149.09628	41.4
167.10683	25.4
185.11742	8.1
196.54079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
55.01875	14.5
55.05507	5.0
57.03429	3.4
65.03927	1.1
67.05511	9.8
69.03438	1.4
69.07072	89.2
70.85866	2.0
71.04990	4.7
73.02920	8.7
79.05501	22.4
81.07064	9.5
82.65302	1.0
83.04990	13.9
83.08605	1.5
85.02909	27.4
91.05480	3.9
93.07050	17.6
95.04949	2.4
95.08624	7.3
97.06523	3.1
97.10133	1.3
98.97582	1.8
99.04462	34.8
99.05109	2.1
101.02393	24.8
101.07838	1.0
102.96897	1.6
103.51936	1.0
105.07038	17.4
107.08600	100.0
108.08899	1.1
109.06530	2.5
109.10124	1.3
111.04449	45.9
121.10149	20.7
123.08071	4.0
125.05998	4.5
125.09622	3.1
129.05498	1.2
131.08578	9.6
139.11185	25.3
145.13310	1.0
149.09634	41.8
149.13393	1.5
151.03862	2.5
167.10683	25.0
185.09721	2.5
185.11742	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	185.1174
Annotation	8-Hydroxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.02369	0.6
53.03949	1.7
55.01870	0.9
55.05518	7.3
56.96552	1.3
57.03443	4.7
59.05001	0.6
67.05511	5.4
69.03447	2.8
69.06720	1.1
69.07074	15.6
69.50850	3.8
71.04993	2.8
71.71146	0.5
72.08144	0.6
75.04490	14.5
77.03895	0.6
79.05495	7.8
81.03436	1.1
81.06577	1.2
81.07063	25.0
83.04975	2.1
83.08622	1.8
84.08176	0.7
85.06547	2.6
86.09718	3.7
91.05489	10.4
93.07051	100.0
94.07391	0.9
95.04977	4.5
95.08614	11.9
97.02919	1.6
97.06541	3.1
97.10175	8.9
98.21494	0.7
98.97582	2.6
102.96922	2.8
103.05490	0.7
105.04539	1.2
105.07036	11.4
105.65202	0.6
107.08607	7.6
109.02878	0.8
109.06508	2.0
109.10151	1.9
111.04438	1.7
111.08090	36.8
111.11716	2.4
114.05542	0.7
119.08578	1.9
120.97913	2.1
121.00808	0.7
121.06554	1.3
121.10152	80.4
123.04478	0.7
123.08070	3.1
123.11721	4.3
125.02362	4.3
125.05119	0.7
125.05994	2.7
125.09624	1.7
131.08551	1.6
133.07587	1.6
136.38722	0.5
138.98882	1.4
139.07535	1.0
139.11200	10.0
149.09616	5.2
151.07567	1.2
153.09087	1.1
157.06528	0.9
163.01891	0.9
167.03473	1.0
167.07085	0.7
167.10686	14.2
170.10962	0.8
185.04408	1.1
185.05862	0.8
185.11850	4.6
185.13249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	8-Hydroxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
50.82875	0.4
53.03944	1.6
55.01865	0.7
55.05512	3.8
57.03440	3.9
57.07076	0.4
65.03938	0.6
67.05503	4.6
69.03435	1.8
69.07070	13.5
71.05006	0.8
71.10246	0.8
75.04486	8.7
77.03909	0.8
79.05498	18.7
81.06580	0.8
81.07063	17.3
83.04990	3.2
83.08630	0.6
85.06556	0.6
87.04508	0.4
89.03950	0.7
91.05483	11.7
93.07048	100.0
94.07407	0.7
95.04974	3.5
95.08609	15.2
97.02907	0.5
97.06536	1.7
97.10192	1.2
102.96887	1.6
103.05461	0.7
105.04505	1.0
105.07036	8.2
106.07813	0.4
107.08606	3.9
109.06485	0.6
109.10156	4.2
111.04451	0.8
111.08087	21.1
111.11021	0.7
111.11724	7.9
111.12436	0.6
117.03402	1.7
119.08595	1.3
120.97905	0.7
121.10149	74.5
122.10402	0.5
123.08090	1.5
123.11714	3.6
125.02412	2.1
125.06023	0.8
125.09647	0.4
128.06207	0.4
129.07066	0.4
130.32764	0.4
131.08609	1.1
133.07646	1.0
138.98900	0.6
139.03873	0.6
139.07619	0.5
139.11191	22.7
145.02879	2.1
149.09641	4.1
157.10141	0.8
158.06026	0.5
167.03395	1.0
167.07033	0.4
167.10687	5.8
172.37648	0.4
185.05907	0.5
185.11752	4.1
185.13199	0.8
186.05466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1537
Annotation	Speciosin I
Peak:m/z	Relative Intensity
50.17167	1.2
53.03947	2.9
55.01857	3.8
55.05515	65.5
56.96542	1.5
57.03453	6.2
57.03688	1.6
57.06819	1.9
57.07080	23.5
59.05004	6.5
60.95845	1.7
65.03917	1.8
67.05183	1.4
67.05511	22.5
69.03445	7.8
69.07072	100.0
69.34008	1.4
69.76662	6.2
71.04994	7.6
71.08632	11.4
73.06548	4.4
75.08766	1.4
77.59801	1.3
79.05494	15.1
81.07065	40.8
83.04991	14.7
83.08623	92.7
85.02916	2.6
85.06558	8.1
85.10180	2.7
91.05466	5.2
93.06472	2.5
93.07050	50.2
95.08618	20.1
97.02889	5.6
97.06537	31.0
97.10172	18.9
98.21394	2.2
99.08098	1.7
101.06010	2.5
101.09643	2.3
102.96883	17.5
105.07037	2.8
107.08601	37.6
109.10165	16.0
111.04448	4.7
111.08089	21.7
113.09645	2.4
114.05523	1.5
115.07551	3.8
120.97908	12.3
121.10157	21.9
123.11707	8.8
125.02354	13.0
125.05956	1.4
125.09652	6.6
125.13277	4.9
129.09166	2.2
130.06471	2.9
132.56731	2.7
134.55263	1.4
138.98955	6.4
139.03926	5.2
139.07487	2.0
143.08543	1.8
149.13269	78.8
150.13560	1.5
157.06467	1.4
157.10115	2.7
162.00505	1.4
167.03394	7.2
167.14333	27.3
179.55495	1.3
185.04449	2.6
185.05984	4.8
185.13220	3.1
186.07622	1.5
186.22096	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94691	1.0
53.03951	3.8
55.01888	2.0
55.05515	6.6
56.96569	15.0
57.03436	3.5
57.07083	2.3
59.05017	1.6
61.02933	5.1
65.03904	1.4
67.05512	6.0
69.03439	6.3
69.07073	13.9
71.04999	23.3
71.56369	1.5
73.02937	2.9
73.06585	2.1
75.98415	1.4
79.05501	20.9
81.03439	4.2
81.07063	100.0
83.04997	6.9
83.08635	1.3
84.08157	1.4
84.96052	4.2
84.99635	1.4
85.02919	4.8
85.06553	2.1
86.06084	1.6
87.04507	1.6
87.08116	1.2
87.88127	0.9
88.02241	2.1
91.05476	7.2
93.07030	4.9
95.04984	2.5
95.08614	4.1
97.02910	4.3
97.06554	4.1
97.10180	1.5
98.97591	25.6
99.04503	1.7
99.08109	4.5
101.00899	3.8
103.00674	4.6
104.00954	1.2
105.07061	2.0
107.04967	2.2
107.08589	10.6
109.02885	6.0
109.06528	10.5
109.10172	17.5
110.03737	1.4
110.06799	1.1
110.97575	5.0
111.08108	2.5
111.11746	7.2
115.02381	4.4
115.05511	1.2
116.06282	1.1
116.98660	4.6
117.20820	1.1
119.01920	8.1
119.04973	1.6
120.02068	1.4
121.01672	11.3
122.02096	1.8
123.08112	1.7
123.11719	18.6
124.02833	1.7
124.99186	1.8
125.05986	1.5
127.02502	1.5
127.23351	1.0
128.98660	3.4
131.01968	1.2
131.08614	4.6
133.03497	1.1
133.10164	4.9
136.02827	1.5
137.05983	29.0
137.11972	0.9
138.06358	1.1
139.02603	1.9
139.11201	7.8
141.07056	2.5
143.00192	3.1
143.01872	1.9
144.05685	1.9
144.98119	1.2
145.03520	3.2
146.99582	2.5
151.11206	11.9
152.98639	1.8
155.04706	8.0
155.81999	1.1
157.03442	2.3
157.12302	4.3
158.99670	6.4
159.08061	4.9
161.01331	1.6
163.02815	1.7
169.06541	1.2
169.12231	8.4
170.99652	1.5
175.04498	1.3
177.00752	3.0
178.03928	4.3
187.04459	17.8
187.06139	1.3
187.07559	7.3
187.13284	2.0
193.01785	2.1
197.01189	1.0
200.04300	1.1
201.00784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	(+/-)-trans-Acenaphthene-1,2-diol
Peak:m/z	Relative Intensity
51.33418	0.3
53.03946	0.8
55.01666	0.3
55.01872	3.4
55.05497	1.1
56.38433	0.3
56.96557	1.3
57.03428	1.0
57.07066	0.3
59.04989	0.4
65.03938	0.4
67.05499	1.4
69.03432	2.4
69.07060	1.2
69.28316	3.2
70.06585	0.4
71.01362	3.7
71.04976	1.2
73.02915	0.4
73.18724	0.3
79.05486	1.2
81.03445	2.0
81.07064	5.8
82.18939	0.3
83.01364	0.5
83.04980	1.1
83.08632	1.3
84.04511	2.4
84.08141	0.6
85.02910	1.3
85.06526	1.0
87.04446	0.7
88.02224	2.8
88.75143	0.4
91.05489	17.9
91.37676	0.3
93.07069	1.6
95.04972	0.6
95.08606	1.3
97.02905	0.8
97.06520	0.9
98.21450	0.7
98.97585	0.6
99.04457	0.7
103.05472	1.5
105.07043	1.1
107.08582	0.8
109.02871	1.1
109.06588	0.4
109.10165	1.2
111.08059	0.6
111.11652	0.4
115.05453	8.2
116.06254	6.1
116.07058	0.3
116.98632	0.4
117.07034	4.9
118.96306	0.3
123.08048	0.5
123.11680	1.1
125.05978	0.7
126.03123	0.8
127.03918	1.4
128.06268	2.1
128.97874	0.6
129.07014	9.0
130.07767	0.6
131.04936	4.6
131.08580	29.1
139.11226	0.5
141.05466	4.7
141.06992	22.5
142.06558	1.1
144.05711	29.1
145.06497	2.3
145.10136	0.8
146.03247	0.4
151.03990	0.6
151.07646	0.5
151.11200	0.7
155.03561	0.3
157.06502	3.6
157.12300	0.4
158.07336	3.6
159.08069	33.5
164.02200	0.5
168.05792	0.5
169.04973	3.4
169.06479	5.6
169.07669	1.1
169.12195	0.6
170.06006	2.7
172.05209	22.4
187.07555	100.0
187.14958	1.2
188.06934	0.6
188.07904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98288	0.2
71.04996	0.2
71.09097	0.4
85.06588	0.2
89.03944	0.2
91.05473	0.5
92.51098	0.2
95.08572	0.2
107.08624	0.2
109.10162	0.3
110.41021	0.2
115.05466	0.7
116.06239	0.5
128.06285	0.3
129.06990	0.3
131.08556	0.4
133.10188	0.3
141.06996	0.5
144.05710	32.1
145.06403	0.2
155.04935	0.5
158.07298	0.2
159.08067	1.2
172.05202	36.0
173.05598	0.2
175.04150	0.2
187.07553	100.0
188.07913	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
71.58679	0.2
81.03419	0.2
81.07053	0.4
84.04510	0.5
91.05473	1.4
93.82694	0.1
95.08615	0.2
103.05473	0.3
107.08615	0.2
115.05436	1.1
116.06255	1.4
117.07011	0.2
120.29475	0.2
127.05408	0.2
128.06227	1.1
129.07024	1.5
131.04973	0.5
131.08571	1.6
141.06993	0.8
144.05710	32.8
145.06273	0.4
145.10065	0.4
146.03258	0.2
155.04932	0.5
155.06050	0.5
156.05682	1.2
157.06509	0.3
159.08064	7.6
159.11646	0.2
169.07666	0.2
172.05199	36.1
173.05542	0.4
187.07549	100.0
188.07887	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05534	0.2
56.96578	0.5
67.05515	0.3
67.38510	0.2
69.03445	0.3
71.57556	0.3
79.05500	0.3
81.03451	0.5
81.07054	0.5
83.08620	0.3
84.04499	0.3
85.02923	0.5
85.06525	0.4
85.71654	0.2
88.02229	0.9
90.04244	0.4
91.05493	1.3
93.67706	0.2
95.08628	0.3
97.02888	0.3
103.05443	0.3
105.07016	0.4
109.10188	0.3
115.05428	1.2
115.36367	0.2
116.06268	1.3
117.03325	0.3
118.03728	0.8
127.05422	0.3
128.06221	0.6
129.07013	1.3
131.04965	0.4
131.08539	1.3
141.05502	0.2
141.07011	0.8
144.05708	33.6
145.06229	0.5
145.10143	0.8
146.03180	0.9
147.62320	0.2
155.04909	0.6
155.06049	0.5
156.05597	0.5
157.06528	0.4
159.06830	0.4
159.08069	4.7
159.11685	0.5
172.05199	29.5
173.05574	0.4
187.07547	100.0
188.07910	1.5
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
53.03942	1.2
53.14691	0.5
55.01875	1.0
55.05503	2.1
57.03456	0.6
59.05000	1.0
65.03938	1.0
67.05222	0.7
67.05515	7.2
69.03445	4.0
69.07081	2.8
71.03700	1.3
71.05000	5.0
74.34576	0.5
77.03896	0.7
79.05510	7.1
81.03423	2.1
81.07061	16.9
83.04991	1.0
84.04505	1.1
85.06557	2.8
88.02216	0.8
91.05491	9.0
93.07048	5.0
95.04987	4.6
103.05498	0.9
105.07047	17.4
107.04958	2.8
107.08627	3.1
109.02885	1.5
109.06482	1.7
109.10155	4.8
111.08102	0.8
111.11716	1.3
113.98896	0.5
115.05447	3.2
115.19543	0.5
116.06261	1.9
117.06213	0.8
117.07029	11.9
119.04958	0.7
119.08599	4.8
121.06509	2.4
123.11752	4.1
127.03981	0.9
128.06203	3.4
129.07025	10.8
130.07813	4.4
130.31497	0.6
131.04900	1.5
131.08578	18.9
132.05737	1.0
133.06467	0.6
133.10146	3.9
139.11153	0.7
141.07011	5.4
142.07796	1.6
143.08582	5.0
144.05745	3.3
144.08298	1.1
144.09363	13.5
145.06502	18.4
145.10132	16.3
146.07242	1.0
151.11208	3.8
153.07025	1.2
154.07770	5.2
157.06464	2.9
157.10112	2.8
158.07294	6.0
159.08084	11.6
159.11711	39.2
167.40848	0.6
167.90060	0.6
169.10152	10.6
169.12234	1.9
171.08067	1.0
172.05235	0.9
172.08849	17.1
185.09763	0.7
187.07660	8.3
187.11203	100.0
187.14818	2.2
188.11533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
54.61706	0.5
55.01862	1.1
55.05510	3.2
67.05504	3.0
69.03416	1.7
71.04995	1.4
71.14417	1.1
75.82404	0.6
79.05495	8.7
81.03410	0.9
81.07072	5.4
83.04985	0.7
85.06527	1.7
85.64311	0.5
91.05479	7.1
93.07043	4.3
95.04973	2.7
103.05479	1.0
105.07037	16.0
107.04951	2.2
107.08558	0.7
109.06496	1.1
109.10152	1.2
115.05460	2.2
117.07031	9.3
119.04978	0.7
119.08584	4.1
121.06515	6.0
123.11654	0.6
128.06207	3.0
128.09090	0.6
129.07005	8.9
130.07806	3.8
131.04933	1.8
131.07573	1.1
131.08574	18.0
133.06490	0.8
133.10121	1.7
141.07010	4.6
142.07765	1.6
143.08583	6.4
144.05699	2.5
144.09361	12.0
145.06487	19.7
145.09038	1.2
145.10124	14.0
146.07256	3.6
151.11171	1.0
153.06990	1.1
154.07796	6.7
155.06123	0.6
157.06491	4.1
157.10144	3.5
158.07289	13.1
159.08070	23.6
159.11696	30.4
168.09401	0.6
169.10124	9.9
171.08090	1.0
172.07603	0.4
172.08835	16.5
187.07611	2.0
187.11191	100.0
188.11513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01869	0.4
55.05511	3.0
56.96559	1.1
67.05501	2.1
69.03417	0.4
69.07074	1.0
70.65884	0.9
71.04999	1.9
77.03928	0.7
79.05499	20.6
79.97689	0.3
80.06266	0.5
81.03421	1.0
81.07067	4.4
84.04485	0.7
84.83409	0.4
85.02915	0.4
85.06550	1.1
87.65594	0.4
88.02223	0.4
91.05483	4.1
91.55419	0.3
93.07072	2.0
93.87110	0.3
95.04988	2.3
95.08628	0.5
99.08123	0.3
103.05473	0.5
105.04522	0.9
105.07034	5.8
107.04994	1.8
107.08617	1.2
108.05787	0.3
109.06531	1.6
109.10164	2.2
115.05494	1.9
116.06188	0.4
117.07015	4.3
119.08633	1.6
121.06516	15.8
123.11734	0.8
127.03960	0.4
128.06218	0.5
129.07001	3.6
130.07840	1.7
131.04945	1.0
131.08578	13.8
133.06479	0.5
133.10135	2.0
141.07002	4.0
142.07806	0.5
143.08568	1.2
144.05733	2.2
144.08388	0.4
144.09373	3.7
145.06496	23.5
145.10155	3.8
146.07294	3.2
151.11201	1.0
153.06979	0.5
154.07802	2.8
154.58051	0.6
155.06126	0.4
157.06528	3.0
157.10191	0.8
158.07286	19.1
159.08069	30.7
159.11699	13.6
159.13023	0.6
167.08524	0.4
169.07657	0.8
169.10117	4.2
169.12299	0.5
171.08109	0.8
172.08850	19.5
173.09219	0.4
187.07813	2.1
187.11200	100.0
188.11604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01861	1.2
55.05516	4.3
56.96572	9.4
57.03413	0.5
57.07074	0.7
58.26055	0.4
58.28018	0.5
58.96156	0.6
59.05006	0.6
65.03942	0.5
67.05506	6.8
69.03419	1.5
69.07067	2.3
71.05001	5.5
71.14385	0.8
75.56567	0.5
79.05055	0.8
79.05495	11.2
81.03426	1.1
81.07060	15.7
83.04971	1.3
83.08633	0.9
84.04507	0.6
85.02889	0.7
85.06552	3.2
88.02203	1.7
91.04976	0.6
91.05492	10.2
92.05793	0.5
93.07043	7.0
94.07381	2.2
95.04975	3.5
95.08614	0.8
97.06518	0.5
98.21164	0.6
100.01813	0.5
103.05463	0.9
105.04540	0.9
105.07037	14.6
106.07390	0.5
107.04955	3.2
107.08611	3.0
109.06516	1.2
109.10151	4.1
110.96762	0.8
111.11695	1.1
115.05430	2.9
116.06247	0.7
117.07028	7.9
119.08575	3.9
119.97335	1.6
120.53551	0.6
121.06532	5.4
122.47572	0.8
123.11704	2.8
127.03991	0.9
128.06213	1.9
128.97856	1.2
129.07010	9.2
130.07782	4.5
131.04982	1.1
131.08585	18.9
131.48111	1.8
132.05685	0.6
132.55383	0.7
133.06464	1.2
133.10143	5.4
137.98373	1.1
139.11165	0.7
140.48633	1.4
141.05881	0.9
141.06995	5.8
141.55829	2.0
142.07793	1.6
142.98961	0.6
143.08563	5.2
144.05721	2.2
144.09351	9.4
145.06497	19.2
145.10139	16.4
146.07295	3.2
149.49167	1.2
150.56396	1.5
151.11189	4.5
152.05838	0.6
152.56532	0.7
153.06920	1.6
154.07794	5.1
155.05989	0.6
157.06479	2.9
157.10149	3.4
158.07294	13.5
159.08080	20.6
159.11705	26.9
163.55367	0.6
169.07793	0.9
169.10150	10.6
169.12256	1.3
172.08850	15.6
172.10329	0.8
187.07706	3.3
187.11195	100.0
187.14799	2.1
187.22523	1.4
188.11493	1.3
189.04347	2.0
203.59900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1331
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.52855	0.8
53.03937	2.9
55.05509	5.5
56.96564	7.2
57.03431	1.5
57.07075	1.8
59.04997	2.5
61.02929	1.5
67.05496	4.8
69.03427	2.0
69.07069	16.7
69.90390	4.1
71.04993	20.7
73.02901	1.4
73.06552	2.9
75.90696	0.8
79.05052	1.4
79.05491	16.4
81.03416	2.3
81.07059	100.0
83.04971	5.9
83.08572	1.1
84.04497	1.2
84.96011	1.0
85.02917	2.0
85.06517	0.9
91.05506	5.6
93.07027	4.0
95.04987	2.1
95.08623	2.6
97.02898	2.3
97.06544	6.4
97.10176	1.6
98.97581	10.7
99.08069	5.4
101.00865	1.4
101.06017	1.9
103.00617	0.8
105.07038	2.2
107.04939	1.4
107.08607	10.5
109.02881	1.2
109.06512	5.8
109.09453	1.7
109.10158	18.7
110.97558	3.1
111.08083	5.0
111.11701	6.5
115.02306	2.0
116.98643	2.5
119.01886	1.2
121.01664	1.3
121.10163	2.0
123.11697	18.3
128.98645	1.0
131.08537	2.3
133.10136	2.4
137.05977	12.4
139.11176	7.5
141.07013	1.1
143.00150	1.5
144.05724	1.0
151.11192	12.2
155.04645	3.1
157.12183	4.9
158.99696	2.5
159.08060	2.3
169.12267	8.2
177.00735	1.3
177.23224	0.8
178.03867	2.8
184.95160	1.0
187.04431	10.0
187.07559	2.3
187.13307	2.3
193.01697	0.9
196.05048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1331
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.21062	0.8
51.46043	0.7
53.03945	2.2
53.13974	0.6
54.38202	0.7
55.01873	0.9
55.05516	4.6
57.07066	1.1
57.28347	0.6
59.05001	2.6
67.05506	4.9
69.03435	1.7
69.07076	16.3
70.84780	1.0
70.85111	1.5
71.05000	22.5
73.06579	1.2
79.05502	16.9
81.07066	100.0
81.26751	0.7
81.45321	0.7
83.04991	5.7
83.08652	1.4
85.06582	1.0
87.08131	0.9
89.06030	1.5
91.05495	1.6
92.34161	0.7
93.07055	4.1
95.04974	2.8
95.08617	2.3
97.06541	6.1
97.10180	1.6
99.08091	5.1
101.05986	0.8
105.07014	1.0
107.08611	11.4
109.06539	2.7
109.10169	19.3
111.08110	3.3
111.11734	7.5
113.05998	0.8
121.10183	2.3
123.08112	1.0
123.11726	18.6
127.07520	1.3
131.08563	0.9
133.10172	3.7
139.11183	10.0
141.06992	0.9
151.11201	13.8
157.12273	5.1
169.12250	8.3
187.13365	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	187.133
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.35936	1.0
55.05507	4.1
57.07069	1.3
59.05005	2.2
64.02170	1.1
65.03943	0.9
67.05505	4.8
69.07075	16.7
69.66418	4.3
71.04999	23.2
73.06540	1.2
79.05502	17.0
81.07063	100.0
83.04977	4.3
83.08604	1.3
89.06038	1.4
91.05444	1.6
93.07041	2.7
95.04980	3.0
95.08610	3.5
97.06562	6.8
97.10162	1.1
98.21466	2.0
99.08102	5.1
101.06004	1.7
105.07029	1.5
107.08601	13.2
109.06538	3.5
109.10162	16.8
111.08079	2.8
111.11732	9.1
121.10144	2.4
123.11715	21.6
127.11198	0.9
132.25713	1.0
133.10138	3.3
139.11195	9.5
151.11206	14.0
157.12253	4.1
169.12231	6.8
187.07547	2.6
187.13309	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
52.13226	0.5
53.03951	1.7
55.01871	0.8
55.05255	0.7
55.05506	4.7
56.96558	0.8
57.07069	1.0
59.05003	2.2
61.02918	0.8
65.03919	0.7
67.05513	4.1
68.64336	0.4
69.03419	2.9
69.07070	14.3
70.06601	0.6
71.01360	0.5
71.04993	14.1
71.57668	0.6
72.08128	0.5
73.02916	0.5
73.06563	0.5
79.05495	14.2
81.03410	2.3
81.07057	69.6
83.04979	5.1
83.08622	2.1
84.04507	2.4
84.08147	8.4
85.02907	1.9
85.06544	0.9
85.08472	0.8
86.09702	6.3
87.08108	0.6
88.02232	3.2
89.06056	0.5
91.05485	3.3
93.07042	5.0
95.04977	2.0
95.08602	2.7
97.02895	1.5
97.06531	4.0
97.10178	1.3
98.97578	1.9
99.04444	1.0
99.08080	4.0
101.00883	1.5
101.06012	0.7
102.07561	0.5
105.07043	1.7
107.08593	10.5
108.04243	0.6
109.02870	1.8
109.06528	2.9
109.10160	12.3
109.10923	0.6
111.08093	2.7
111.11727	5.9
112.01570	0.8
114.04237	0.5
115.05459	1.3
116.06242	0.8
116.98694	0.6
118.03738	0.5
119.01919	1.3
121.10195	2.5
123.04649	0.8
123.08081	0.7
123.11708	13.4
127.03915	5.4
127.07548	0.8
127.11220	0.6
128.06255	0.6
129.04813	0.6
129.06975	1.0
129.10234	4.7
131.01883	1.1
131.08582	2.0
133.10121	2.4
139.11168	5.3
141.05452	1.5
141.06996	1.7
143.01900	5.1
144.05699	34.3
145.03444	0.5
145.10152	1.5
150.05196	0.5
151.11183	8.6
155.02077	1.1
155.03395	5.8
155.04741	0.7
157.06497	0.5
157.12320	2.2
158.99686	1.3
159.06972	0.7
159.08064	5.0
161.02974	4.1
167.06464	0.6
169.04968	0.6
169.12265	5.3
172.05193	31.0
173.03021	0.7
187.07542	100.0
187.13164	1.6
187.14810	1.1
188.07825	1.2
204.79097	0.4
209.91034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03950	3.0
55.05500	3.3
57.07083	1.5
59.04993	3.2
59.67357	1.2
67.05492	6.1
69.03423	2.8
69.07069	15.7
69.42629	9.4
71.04996	24.3
79.05497	15.5
81.07060	100.0
82.07381	1.6
83.04964	5.0
83.08608	2.2
84.08134	1.7
85.02933	2.1
85.06535	2.1
88.02209	3.6
89.06019	1.4
91.05456	2.8
93.07028	5.0
95.04961	3.1
95.08604	2.5
97.02872	2.0
97.06548	8.2
98.21463	2.7
98.97552	1.6
99.08086	6.4
101.05983	1.7
105.07010	2.7
107.06077	1.2
107.08601	13.3
109.06503	3.0
109.10160	21.2
111.08078	4.8
111.11720	6.8
121.10152	2.3
123.08047	1.7
123.11711	21.3
127.03930	9.9
127.11239	1.4
129.06961	1.4
131.08557	1.2
133.10091	3.7
139.11185	9.7
141.05438	1.5
141.06992	1.9
144.05721	17.1
148.18686	1.5
151.11201	14.2
155.03395	8.2
157.12267	3.6
159.08040	5.4
169.12260	9.0
172.05214	19.9
187.07552	59.4
187.11179	2.4
187.12950	2.1
200.11333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03963	1.5
55.05506	3.5
57.07070	2.0
58.35605	0.9
59.05000	2.3
67.05513	8.1
69.03413	1.1
69.07076	13.4
69.72389	6.1
69.72716	1.6
71.04601	1.3
71.04996	25.8
73.06558	1.0
75.94456	1.0
79.05500	15.9
81.07062	100.0
83.04984	4.4
83.08627	1.2
85.06532	3.0
91.05473	4.3
93.07055	3.3
95.04958	2.7
95.08616	2.3
97.06552	4.9
97.10166	1.3
98.20812	1.5
98.21358	1.7
99.08093	5.7
105.07014	2.7
107.08592	12.9
109.06551	2.6
109.10157	20.8
111.08089	3.4
111.11733	7.6
121.10171	3.2
123.08073	1.1
123.11715	19.0
125.09617	1.1
131.08583	2.0
133.10152	6.3
139.11200	9.4
144.05748	1.5
151.11179	11.8
155.16716	1.0
157.12239	4.9
159.08153	1.0
168.01572	1.0
169.12225	7.4
187.07494	4.4
187.13316	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	187.1331
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.70210	1.9
55.01868	6.2
55.05508	7.7
57.03455	2.4
57.07068	7.2
59.05004	11.5
63.70449	1.9
66.48965	2.1
67.05513	25.5
69.03438	17.9
69.07077	17.3
70.51620	8.3
70.70577	2.0
71.05001	25.9
73.35072	2.2
79.05505	18.2
81.03434	6.8
81.07063	100.0
83.04976	8.2
83.08643	2.0
85.02938	2.9
85.06550	14.7
87.04459	5.8
91.05472	17.4
93.07067	12.8
95.04984	5.2
95.08599	4.8
97.06536	30.7
98.21287	3.2
99.08092	7.0
105.07025	26.4
107.08607	44.3
109.06505	9.1
109.10162	65.0
111.08096	6.4
111.11710	6.9
112.58155	2.4
113.05997	3.9
115.07582	4.0
121.10183	6.1
123.08075	2.3
123.11720	33.6
131.08562	3.5
133.10143	69.2
139.11188	14.3
144.05748	2.5
151.11214	55.9
157.12285	5.2
166.44629	2.3
169.12286	33.8
187.07498	11.8
187.13289	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	187.1331
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.01874	16.6
55.05502	7.1
57.03428	7.0
57.07082	12.9
59.04746	3.0
59.05006	41.1
60.02662	2.1
67.05508	19.1
69.03432	42.5
69.06786	1.8
69.07078	20.7
69.19427	20.3
69.19804	4.4
71.05001	31.4
73.06548	4.3
77.14305	2.2
78.61008	2.2
79.05498	18.8
81.03424	6.0
81.07063	83.3
83.04961	4.5
83.08607	5.7
85.06071	3.5
85.06551	46.8
87.04479	25.1
91.05484	9.2
91.06057	2.1
93.07042	7.8
95.04961	5.5
95.08592	7.4
97.05916	5.0
97.06540	100.0
97.10169	3.5
99.08105	17.9
105.07038	12.0
107.08607	22.5
109.06508	18.9
109.10161	39.5
111.08044	10.1
111.11703	5.5
113.05984	4.6
115.07574	11.5
121.10136	11.2
123.08102	4.2
123.11717	55.2
127.07542	3.7
131.08582	3.3
133.10101	19.2
139.11188	27.2
139.14066	2.4
151.11195	48.1
157.12259	9.3
159.08099	4.2
169.12259	68.8
187.06088	2.5
187.07454	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	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.35207	1.4
55.05500	5.5
66.70737	1.4
67.05170	2.3
67.05513	33.8
69.03425	3.9
69.07065	8.4
69.32506	7.9
69.32928	5.5
71.04980	7.2
79.05496	12.9
81.03432	1.8
81.07063	38.4
83.04986	9.1
85.02866	1.4
85.06528	5.2
91.05495	24.0
93.07037	12.5
95.04977	1.8
95.08601	3.7
97.06504	2.4
105.07042	39.9
107.08605	43.8
109.06515	3.1
109.10169	67.4
123.11713	11.9
131.08517	2.1
133.10143	100.0
139.11214	2.0
142.64240	2.2
151.11206	45.6
169.12292	4.0
187.07526	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	187.133
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
50.33350	0.9
51.69562	0.8
55.01868	1.1
55.05508	7.6
57.03419	3.2
57.07069	3.7
65.03954	1.4
67.05509	54.1
69.03426	2.7
69.07076	8.5
70.70049	2.7
71.04997	72.0
74.93556	0.9
79.05070	1.0
79.05501	13.8
81.07063	47.8
83.05006	5.6
83.08614	1.5
85.06549	100.0
91.05486	36.3
91.06080	1.2
93.07045	13.2
95.04963	2.1
95.08601	5.1
97.06544	3.6
97.50188	0.9
99.08121	0.8
105.07037	36.2
107.08606	38.0
109.06544	7.1
109.10165	64.8
111.08106	1.1
113.06016	1.0
123.08054	2.4
123.11736	11.5
125.09637	1.5
127.07579	1.4
131.08607	2.0
133.10139	95.9
139.11154	1.3
151.11192	48.0
169.12251	19.1
187.13293	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	187.1331
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
55.01877	0.8
55.05515	6.3
56.41360	0.6
57.03438	3.4
57.07088	4.8
59.05000	0.9
65.03926	1.0
67.05511	55.4
69.03437	2.7
69.07070	9.8
69.47930	4.2
69.77901	0.7
71.05000	72.4
71.10443	0.7
79.05503	13.1
81.07066	50.0
83.05001	5.8
83.08649	1.2
85.02926	1.1
85.06552	100.0
86.06891	1.0
87.04485	1.3
91.05490	35.3
93.07053	14.0
95.04970	1.6
95.08606	4.5
97.06548	3.5
98.20781	1.3
98.97621	0.9
99.04507	0.9
101.06040	0.8
105.07045	38.8
107.08606	33.4
109.06538	5.9
109.10168	57.2
113.06042	1.9
121.10204	0.8
123.08102	1.8
123.11736	10.0
125.09644	1.6
125.18812	0.6
127.07579	0.9
131.08572	2.0
133.10144	83.2
134.10500	1.5
139.11230	2.0
150.18042	0.6
150.90355	0.7
151.11198	44.4
159.08189	1.2
169.12256	15.8
176.83005	0.6
187.07611	2.9
187.11252	1.5
187.13362	2.4
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
54.61674	1.0
55.05500	2.6
58.32471	1.0
62.01372	1.0
69.03430	1.3
69.52771	2.3
69.53172	7.3
81.07055	2.3
82.19875	0.9
83.08617	2.9
84.75418	1.1
85.08524	1.2
88.02214	9.8
91.05486	7.0
93.07029	1.5
95.08601	3.0
98.21565	2.0
105.07030	3.1
115.05427	3.5
117.07029	75.6
119.08584	18.7
125.61737	1.1
129.06987	3.0
130.07750	2.0
131.08565	12.1
134.92026	1.0
142.37180	1.3
143.08566	3.4
144.05742	1.7
145.10133	33.0
150.65918	1.1
157.10156	2.2
158.10892	3.5
159.11717	4.1
172.12451	2.0
187.07549	4.1
187.14839	100.0
187.22505	2.0
188.15308	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.83604	0.3
69.53768	0.9
69.54183	1.8
74.76050	0.3
91.05471	3.0
98.20903	1.1
98.21485	0.5
103.05476	0.4
115.05466	3.7
117.05792	0.7
117.07039	3.5
118.06551	53.9
119.06831	0.5
132.08098	0.4
134.11456	0.4
142.06538	4.1
142.07555	0.7
143.07321	8.2
144.04440	0.5
144.08096	23.3
146.06018	100.0
147.06369	2.0
155.06020	0.9
160.07594	0.8
170.06026	8.3
171.06305	0.5
174.34325	0.3
176.01749	0.4
188.07077	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	188.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05505	1.3
56.05042	1.9
56.96567	2.5
57.03432	1.3
58.06599	0.4
59.04997	2.6
60.04523	1.6
61.02644	0.6
61.02929	8.3
67.05513	0.5
68.05029	0.5
69.03436	2.8
70.02964	1.8
70.06609	0.6
71.05003	1.7
71.39887	0.7
71.76147	0.3
72.04519	0.5
72.08160	0.5
73.02933	0.6
75.04480	0.8
81.03424	0.5
82.06588	3.0
83.04987	4.8
83.73292	0.4
84.04507	100.0
84.08111	0.4
85.02908	18.3
85.04825	0.7
86.06070	1.3
87.04469	6.3
90.52689	0.4
91.05489	0.7
96.04519	0.5
97.02901	0.6
97.06548	0.4
98.06081	0.5
98.97572	2.1
99.04478	0.7
100.07622	2.1
100.56021	0.4
102.39002	0.3
103.05544	0.4
105.02792	0.3
110.01282	0.6
110.06046	3.0
111.04450	1.4
115.05460	0.8
116.98634	0.5
118.06552	2.5
119.01768	0.8
126.05531	5.5
128.02304	3.2
128.07092	5.8
129.05498	1.4
129.07109	0.4
137.02892	0.6
142.06541	0.7
142.08624	0.8
142.12302	0.7
143.07335	0.4
144.08107	1.4
145.06105	0.7
146.06020	4.2
146.08167	0.8
146.91827	0.6
147.06551	0.6
160.09694	0.5
164.41289	0.4
170.06042	2.8
170.08220	1.1
173.05721	1.1
174.06804	0.5
176.05270	0.6
187.56117	0.4
188.07755	2.6
188.09261	12.3
188.10536	0.6
188.12898	0.5
189.05553	0.8
189.09221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.05035	0.9
57.03433	0.8
57.16582	0.4
58.55195	0.4
59.05005	2.3
60.04520	0.9
61.02934	7.6
61.54760	0.4
67.05496	0.5
68.05050	0.4
69.03426	1.0
69.43124	0.4
69.45196	3.3
70.02955	1.8
71.04986	1.1
73.48904	0.4
75.04478	0.9
75.84353	0.4
81.07072	0.5
82.06581	2.1
82.07398	0.5
83.04995	3.0
84.04509	100.0
85.02911	15.6
86.06049	0.7
87.04478	6.2
88.04024	0.4
89.70287	0.3
96.04511	0.4
100.07615	1.5
101.73820	0.4
109.74973	0.4
110.06065	3.1
110.10498	0.6
111.04467	1.1
114.65650	0.4
126.05531	4.2
127.89983	0.4
128.06206	0.7
128.07072	5.2
129.05519	1.2
134.10498	0.6
145.06104	2.0
146.08133	0.8
162.11226	0.5
170.12476	0.5
173.05603	1.8
174.06754	0.5
188.07848	3.7
188.09245	12.1
189.05573	0.5
189.09097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.092
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
54.30806	0.3
55.05530	0.4
56.05035	1.7
57.03441	1.5
57.65469	0.3
59.05009	2.0
60.04532	0.8
61.02644	0.5
61.02935	7.6
69.03430	0.8
69.79580	1.2
70.02962	2.1
71.04996	1.1
71.64864	0.3
73.02937	0.4
75.04481	0.7
77.87807	0.3
82.06586	1.8
83.04996	3.5
84.04512	100.0
85.02914	18.3
86.06081	0.7
87.04477	6.3
96.04491	0.3
98.06062	0.5
100.07621	1.1
105.05563	0.3
110.06047	2.5
111.04463	0.9
112.03957	0.3
115.05457	0.5
126.05528	4.9
128.07092	4.7
129.05481	1.2
142.06589	0.4
143.13608	0.3
145.06088	0.4
146.06001	0.3
146.08109	0.7
147.06541	0.3
148.78029	0.3
170.06067	1.8
170.08151	0.3
188.07771	1.2
188.09229	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	188.092
Annotation	6-Acetamido-2-oxohexanoate
Peak:m/z	Relative Intensity
50.06842	0.8
51.02378	0.8
51.05862	0.6
53.03955	3.2
55.01882	9.2
55.05514	12.6
56.05037	7.6
56.96571	39.7
57.03440	15.1
57.04549	0.9
57.07078	1.9
58.06612	1.1
58.99868	1.2
59.05017	3.1
60.04532	23.9
60.05651	2.3
61.02930	12.5
61.76612	0.7
65.03944	2.2
67.05513	9.0
68.05047	2.5
69.03434	32.4
69.07073	4.8
70.02967	0.8
70.03771	0.9
70.06596	18.1
70.95897	0.8
70.98146	1.0
71.01360	4.8
71.05000	11.8
71.06938	2.0
71.95287	1.9
72.04532	2.0
72.05336	0.7
72.08161	36.6
73.02922	19.1
73.06559	1.3
73.08528	0.9
74.00270	0.7
74.02450	0.7
74.06088	3.5
74.97628	1.1
75.04490	1.4
77.00852	1.5
79.05503	6.4
80.00266	0.7
80.05013	0.8
81.01053	1.1
81.03426	14.8
81.07068	2.3
82.06581	13.2
82.99819	1.0
83.00811	1.9
83.01337	1.5
83.04984	18.7
84.04514	22.5
84.08147	23.2
84.96041	5.1
85.02910	38.0
85.08490	2.1
86.09714	13.5
87.01038	1.0
87.04472	8.2
87.05628	0.9
87.10045	0.7
88.03996	2.2
89.00784	2.3
89.76708	0.8
90.01582	2.9
91.03979	1.3
91.05514	1.2
93.01018	0.7
93.03421	1.0
93.07035	1.1
94.01795	1.2
94.02675	0.8
95.00786	2.6
95.04974	4.8
96.01569	6.1
96.08143	11.2
97.02901	50.7
97.06540	2.0
97.96803	1.4
97.99180	1.0
98.01302	2.7
98.03243	1.0
98.06077	1.5
98.09701	1.1
98.97593	57.2
99.02032	1.0
99.04465	21.1
99.97932	1.3
100.02514	0.9
100.07623	16.8
100.08254	1.1
101.00845	10.0
101.02375	6.3
101.06030	9.0
102.00958	1.5
102.01563	3.1
102.02283	2.7
103.00604	2.2
103.02419	3.0
103.03928	1.2
104.01278	2.4
105.01057	0.9
105.02071	3.1
107.00789	0.9
107.04977	0.8
108.01515	2.0
109.00497	0.7
109.02284	1.2
109.02907	7.7
109.06559	1.2
110.01285	6.1
110.03099	0.8
110.06051	7.8
110.09677	2.3
110.97584	9.0
111.02067	2.2
111.02921	1.4
111.04467	4.6
112.99142	29.5
113.00858	2.2
113.01742	1.2
113.03501	1.3
113.06002	1.2
114.01637	1.1
114.02541	2.0
114.05543	16.2
114.09171	9.5
115.00603	1.4
115.02407	3.9
115.03948	5.6
115.97827	0.9
116.01280	2.4
116.03918	1.7
116.07108	6.7
116.98635	19.9
117.02073	5.5
117.05613	0.9
117.07449	4.5
118.01073	1.3
118.08660	1.2
119.01877	20.2
120.01996	5.2
120.03289	0.9
121.01620	4.9
121.03329	1.3
121.06532	0.8
122.01265	1.1
122.02240	1.0
122.06041	2.0
123.02042	4.2
123.02901	1.6
124.01041	0.7
124.02782	2.1
124.07610	8.7
124.11251	2.5
124.99154	2.7
125.01815	2.2
125.02639	0.9
125.06004	1.9
126.02621	1.7
126.97014	1.2
127.00701	1.0
127.02439	1.4
127.03941	9.5
128.02348	4.8
128.03978	1.8
128.07089	34.8
128.10733	7.8
128.98624	9.3
129.01978	2.4
129.02982	0.9
129.03973	1.2
129.05510	5.6
129.10252	6.8
130.02849	2.5
130.08658	4.7
130.09554	0.9
131.00186	26.4
131.01767	9.2
132.02701	5.1
133.01663	1.1
133.03464	4.8
134.02330	1.5
134.03613	1.0
134.99658	5.8
136.99129	1.3
137.01772	2.4
137.02861	1.5
137.04497	1.6
138.02507	7.4
138.03499	0.6
139.02441	0.9
139.03323	1.7
139.04247	1.4
140.00218	0.9
140.02324	11.9
140.04993	0.8
140.07065	1.4
140.98631	1.3
141.03093	6.0
141.04037	0.9
142.03465	1.5
142.08646	100.0
142.12283	9.6
143.00195	11.6
143.01884	6.6
143.03534	1.3
143.11861	1.4
144.01978	0.8
144.98077	2.2
145.01633	3.5
145.03358	6.1
145.05080	4.3
145.97696	1.1
146.02193	3.9
146.05066	1.1
146.08133	25.3
146.99686	5.5
147.03093	11.6
147.05034	2.4
147.11299	1.6
149.01225	13.3
149.02907	5.2
150.96873	1.1
152.07100	2.7
152.10719	0.9
153.03091	2.1
153.05473	3.3
154.02037	3.9
154.03871	3.0
155.00192	3.9
155.01860	2.2
155.02921	1.6
156.03613	1.1
157.01366	4.2
157.03487	2.5
158.03658	1.0
158.05054	1.6
158.09338	1.4
158.99654	12.1
159.01598	1.4
159.03053	7.9
159.05057	3.2
160.04814	1.3
161.01231	13.4
161.02948	5.4
161.04684	2.9
161.52826	0.9
162.03561	2.4
162.99112	1.6
163.02699	4.8
163.04376	1.0
165.00661	1.6
167.02802	4.7
167.04630	3.1
167.05771	1.4
167.55679	1.4
168.03610	40.6
168.53838	1.5
169.03496	0.9
170.06709	1.1
170.08124	6.9
170.11754	6.0
170.99655	2.7
171.01366	1.0
171.03709	0.8
171.05025	5.1
171.06438	1.5
171.14951	1.9
173.01233	12.9
173.02948	3.6
175.02600	1.2
175.04492	2.7
175.11899	4.2
176.03380	25.0
176.05174	7.7
176.53513	3.2
177.00806	8.3
177.02420	1.2
177.04146	24.9
179.02289	2.9
179.54417	2.3
185.01233	1.0
185.03958	2.3
187.02838	1.6
187.04501	1.5
187.54172	3.0
188.05202	1.2
188.09184	43.5
188.12807	20.1
188.17705	1.9
188.54895	1.6
189.00816	3.5
189.02347	1.1
189.04202	2.0
189.06062	4.4
189.16006	1.9
191.02301	8.5
195.05180	1.0
201.00702	1.6
201.06070	1.1
203.04018	1.2
207.01756	8.7
207.03510	1.5
207.07158	1.4
209.03232	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
54.39776	1.6
55.01867	6.5
55.05520	14.1
57.03438	14.2
60.08167	8.2
61.02672	2.0
61.02931	18.0
67.05487	2.5
69.03434	100.0
69.07092	1.5
70.06599	24.2
71.01348	2.0
71.04996	12.8
71.55564	2.3
72.08163	23.7
73.02919	8.0
74.07204	7.1
81.03432	10.2
81.07052	2.2
83.04988	59.6
84.04491	2.0
84.08147	47.8
85.02901	13.3
87.04451	5.8
92.35190	1.7
93.97433	1.7
94.93004	2.8
97.02892	4.9
98.20966	2.2
98.97588	2.3
99.04462	24.1
99.85815	1.7
101.00895	7.0
101.02390	8.2
101.05985	1.9
103.02444	2.5
111.00770	1.9
111.04447	19.7
113.61380	1.5
115.03936	11.7
116.07085	11.1
118.08643	2.4
119.01892	11.9
121.01707	4.1
125.06030	2.0
126.03410	2.3
126.09150	2.8
129.01888	2.1
129.05489	44.0
130.08627	16.6
131.01912	3.7
133.03459	2.9
137.02884	2.0
139.05040	4.7
143.01903	4.4
144.11382	4.3
145.03467	4.0
147.05032	5.0
147.06516	4.6
155.01884	1.8
157.01315	8.0
157.03459	3.9
161.02974	5.5
171.05045	2.4
172.10889	2.4
174.06949	1.9
175.04497	2.2
185.03029	3.7
189.04169	2.0
189.05772	10.2
189.07497	23.7
189.09319	10.4
189.13620	12.9
189.15964	9.3
199.04530	2.4
203.04047	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0394
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
53.03941	3.1
53.84981	0.5
55.01875	22.0
55.05512	15.2
56.05043	1.0
56.05843	0.6
56.96562	1.4
57.03437	30.3
59.05000	4.0
60.08159	2.7
61.02927	9.7
65.03935	0.7
66.60831	0.9
67.05510	1.8
67.12358	0.5
67.35207	0.6
69.03429	43.0
70.06598	1.3
71.00967	0.9
71.01357	14.8
71.05000	6.7
71.56795	1.0
71.57168	0.6
72.08156	100.0
72.84435	0.6
73.02916	13.0
75.04490	2.2
79.05509	1.2
81.03424	5.1
81.07056	0.6
83.01335	4.9
83.04981	24.5
83.06881	0.8
84.04525	2.3
84.08138	10.4
85.02903	8.7
85.04843	1.3
86.09690	1.4
87.00822	1.1
87.04466	20.4
89.02411	4.0
91.05499	1.1
93.03402	0.8
95.01318	3.2
95.04962	1.3
97.02900	2.0
97.06533	0.6
98.97580	1.4
99.04452	13.6
100.03983	1.0
100.07647	1.1
100.88749	0.7
101.00909	2.5
101.02379	43.7
103.02514	0.7
103.03925	4.4
105.07043	2.1
107.03447	0.7
110.08264	0.7
111.00827	3.7
111.04446	11.8
113.02390	2.6
115.03932	46.7
115.87801	0.7
116.98650	0.8
118.08682	3.1
119.01938	4.7
119.08624	0.8
121.01684	0.8
125.05990	0.7
127.03957	1.6
129.01849	12.1
129.03387	2.7
129.05484	22.6
130.08650	4.6
131.01926	1.1
131.03447	1.6
138.03386	0.8
141.01846	1.0
142.08632	0.8
143.01942	1.8
143.03429	4.4
143.04459	0.8
143.08981	5.4
143.11856	1.4
144.03555	0.9
144.10265	0.6
144.13837	1.1
145.03491	2.0
147.06589	3.2
147.08446	0.6
147.11688	0.9
150.92001	0.7
156.09364	0.8
157.01332	38.2
157.49664	0.6
160.55254	0.6
161.03001	2.2
161.06029	1.7
161.09564	0.7
163.04694	0.7
171.06645	0.7
171.11775	0.9
174.06810	2.1
175.02338	3.1
177.02486	0.7
185.02951	0.7
189.03972	2.5
189.05568	7.4
189.07600	4.3
189.09344	12.8
189.12706	3.5
189.16089	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	Bullatenone
Peak:m/z	Relative Intensity
53.03949	0.4
55.01908	0.4
55.05515	1.2
61.02904	0.4
67.05524	0.4
69.03442	3.2
69.07067	0.5
71.58106	0.4
79.05493	0.4
80.61888	0.3
81.03400	0.3
81.07067	0.7
83.04982	1.9
83.08634	0.8
84.04520	0.5
85.02947	0.4
91.05485	1.9
93.07077	0.4
95.08614	0.7
97.10171	1.2
99.04444	0.8
103.05490	0.9
105.07047	3.2
107.08597	0.4
109.10164	0.4
111.04466	0.8
115.05437	1.6
116.06246	0.4
117.07025	0.5
118.07780	0.4
119.04942	1.0
119.08591	2.2
121.10144	0.4
125.09655	1.0
128.06232	11.7
129.03380	0.7
129.05463	1.7
129.07013	38.2
130.07832	0.8
131.04945	2.7
131.08578	6.0
133.06496	0.6
133.10121	2.8
137.06007	1.0
141.07010	0.7
143.08592	1.7
145.06503	2.5
145.10165	0.9
146.03627	0.8
146.07309	4.5
147.04477	0.5
147.08112	0.4
147.11693	1.4
155.06061	1.5
156.05724	0.5
156.09373	1.0
157.06503	20.5
158.07288	7.4
159.04443	3.1
159.08009	0.7
160.08810	0.4
161.05992	2.7
161.09644	3.2
161.13284	0.9
171.11720	1.2
173.05963	0.8
174.06778	52.6
175.07451	0.5
189.05630	4.5
189.09119	100.0
189.16379	2.0
190.09354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	Bullatenone
Peak:m/z	Relative Intensity
56.89412	0.3
65.04244	0.2
68.38457	0.2
71.12388	0.7
71.86649	0.3
73.12029	0.2
90.38271	0.2
91.05483	0.5
103.05462	1.4
105.03394	0.3
105.07056	0.5
115.05466	4.1
116.06232	0.8
117.07063	0.5
127.05466	0.7
128.06236	5.7
129.07013	11.0
130.07788	1.0
131.04942	7.6
131.08571	0.9
142.04144	1.5
143.04926	6.4
144.05707	5.7
145.06503	5.9
146.07283	2.8
155.04965	0.5
155.06044	1.7
157.06534	2.2
158.07286	32.6
159.04427	26.8
159.08044	1.9
160.04915	0.4
161.09633	0.3
173.06021	1.1
174.06778	86.3
175.07436	1.4
188.08347	0.5
189.09122	100.0
190.09436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	Bullatenone
Peak:m/z	Relative Intensity
50.88001	0.3
52.39777	0.3
53.03934	0.5
55.05520	2.8
55.75602	0.4
55.84060	0.3
56.96563	1.9
57.03454	0.4
57.07071	0.5
61.02926	1.1
67.05512	1.2
69.03435	7.2
69.07073	1.4
69.73158	1.5
71.04990	0.4
74.88274	0.3
79.05507	1.1
79.69671	0.4
81.03432	1.1
81.07053	3.5
83.04988	4.6
83.08614	0.5
84.04518	0.5
85.02901	0.7
91.05500	2.4
93.07059	1.5
95.04972	0.5
95.08604	4.2
97.02892	0.7
99.04472	1.8
102.03375	0.5
103.05476	2.6
105.07039	6.8
106.96588	1.1
107.08591	3.0
109.10175	1.5
111.04442	1.7
115.05445	4.7
116.06257	0.7
117.07014	1.6
118.04148	0.6
119.08578	9.3
121.10162	1.2
124.04674	0.7
124.97598	1.2
128.06219	6.7
129.03381	2.2
129.05533	4.0
129.07002	13.1
130.06525	0.6
130.97467	0.4
131.04938	7.0
131.08575	2.5
133.06529	0.8
133.10133	6.8
134.51266	0.4
136.06461	0.9
142.04160	1.4
142.98718	0.8
143.04910	7.5
143.08592	1.2
144.05711	5.1
145.06467	6.2
145.10121	1.2
146.03603	2.3
146.07271	3.4
147.08116	0.5
147.11697	4.5
154.08604	0.4
155.04973	0.4
155.06076	2.5
157.06496	4.1
158.07280	29.3
159.04424	24.2
159.08014	1.9
160.04816	0.5
161.05997	2.9
161.09613	0.7
161.13213	2.5
171.11743	1.1
173.05978	1.4
174.03165	3.2
174.06770	88.4
175.07382	1.5
189.05521	13.7
189.09111	100.0
189.16374	10.9
190.09413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03931	0.3
55.05514	0.7
57.76497	0.2
61.02931	0.4
63.02388	0.3
67.05506	0.5
68.05812	0.2
68.99791	0.2
69.03435	2.7
69.07082	1.0
70.98107	0.2
71.04989	0.4
71.58818	0.3
72.33495	0.2
76.69639	0.2
78.97972	0.2
79.05492	0.9
81.07063	0.9
82.04913	0.2
83.04980	1.5
83.08613	0.3
85.02892	0.3
86.09705	0.3
91.05476	2.2
93.07055	0.8
95.04976	0.4
95.08619	0.8
99.04434	0.6
103.05466	0.9
105.07036	3.4
107.04990	0.2
107.08593	1.2
109.10170	0.7
111.04459	0.5
111.70425	0.2
115.05452	1.4
116.06238	0.5
117.07033	1.1
118.07796	0.4
119.02840	0.2
119.04939	0.5
119.08580	4.1
121.06426	0.2
121.10160	0.4
123.04428	0.2
124.05220	0.2
127.05502	0.3
128.06229	11.8
129.05463	1.4
129.07011	39.4
130.07864	1.3
131.04951	3.3
131.08580	6.5
133.06491	0.6
133.10141	3.0
135.11697	0.6
137.05975	0.3
141.07024	1.4
142.07806	0.3
143.04982	0.3
143.08559	2.1
144.05716	0.5
144.09351	0.3
145.06522	2.4
145.10129	2.6
146.03632	0.5
146.07271	4.9
146.10866	0.3
147.04471	0.3
147.08075	1.4
147.11696	3.2
155.06027	1.7
155.08575	0.4
156.05750	0.3
156.09354	6.0
157.06500	21.8
158.07288	8.2
159.04420	3.1
159.08073	0.8
159.11731	1.7
160.08893	0.4
161.05995	1.5
161.09644	3.7
161.13268	1.1
169.07600	0.3
171.04416	0.3
171.08124	0.5
171.10240	0.4
171.11703	7.7
173.05994	0.9
174.06775	53.0
174.10376	1.4
175.07312	0.7
189.05635	3.2
189.09117	100.0
189.12698	15.1
189.16264	1.7
190.09473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1236
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
52.80545	0.3
53.03951	0.9
55.01874	0.5
55.05519	1.9
56.96566	4.9
57.03433	1.6
61.02931	2.6
69.03075	0.7
69.03436	9.4
69.07054	1.0
70.25598	1.4
71.04996	1.1
72.08163	4.5
73.02926	1.5
73.06554	0.9
79.37615	0.3
81.03425	1.7
83.04987	4.6
84.08141	0.4
84.96026	0.5
85.02908	3.7
86.09712	100.0
87.01050	0.4
87.04472	0.5
87.10035	0.6
92.35196	0.3
92.98577	0.4
96.01587	0.6
97.02888	3.4
98.03274	0.4
98.21413	0.4
98.97590	4.9
99.04445	2.6
99.13590	0.4
100.99148	0.4
105.07066	0.6
106.96582	0.5
109.02896	0.6
110.01328	1.2
110.97573	1.0
111.04448	1.7
115.03977	0.6
116.98652	1.0
117.02147	0.4
119.01830	1.7
124.02881	0.3
127.00674	2.3
127.03930	0.7
128.02315	2.2
128.98666	1.0
129.02190	1.3
129.03206	0.4
129.05487	3.9
137.02809	0.5
138.02612	0.6
143.00153	0.4
143.05011	0.4
145.01738	3.1
145.03456	0.7
146.04120	0.7
147.03264	1.2
147.06621	0.5
149.84978	0.3
154.03880	4.8
154.54102	0.4
155.04660	0.7
158.99641	0.6
161.06026	0.7
163.02908	1.8
163.04451	1.5
168.03651	2.0
168.05235	0.4
171.11743	0.4
173.01352	0.8
174.06822	0.5
177.04132	5.1
177.54427	0.6
189.05534	1.3
189.07608	1.1
189.09218	1.1
189.12384	2.8
191.02315	1.0
209.03281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78489	0.7
53.03940	0.8
55.05499	2.9
56.96552	1.7
61.02919	1.5
67.05511	4.3
69.03080	1.1
69.03430	11.1
69.07047	2.3
71.04998	3.4
71.31853	0.9
79.05491	5.4
81.03417	1.8
81.07048	3.7
83.04986	5.8
83.08599	1.2
85.02908	1.2
85.04829	1.2
85.06537	1.1
85.46510	0.7
86.09701	1.2
91.05481	6.0
93.07050	8.2
95.04974	2.3
95.08630	4.1
97.06522	0.9
99.04438	1.7
103.05483	1.2
105.07036	11.9
107.08593	7.9
109.06525	1.4
109.10162	3.8
111.04410	2.4
111.83207	0.7
115.05461	2.4
115.22000	0.7
117.07016	3.6
117.60875	0.7
119.04966	0.8
119.07795	1.4
119.08588	17.1
121.06487	1.1
121.10144	1.0
128.06223	6.2
129.03433	0.9
129.05478	2.5
129.06999	14.8
130.07834	4.3
131.04932	1.2
131.08575	5.2
133.06499	2.4
133.10123	5.8
135.11694	11.5
141.07019	6.0
142.07825	1.1
143.04900	0.9
143.08603	6.5
144.09349	1.4
145.06464	1.7
145.09032	1.3
145.10135	18.3
146.07262	1.5
146.10855	1.1
147.08038	5.5
147.11703	14.6
153.12733	3.0
155.08557	2.3
156.09352	44.3
157.06522	8.0
158.99641	1.2
159.08073	5.4
159.11708	11.9
160.08801	1.4
161.05971	2.6
161.09631	2.3
161.13271	5.5
171.11700	60.9
172.12027	1.3
174.06787	9.2
174.10406	7.0
177.00708	1.1
189.05510	9.1
189.09171	16.1
189.12752	100.0
190.13074	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96538	0.8
67.05511	1.5
69.03429	4.7
69.07038	0.7
69.34167	7.4
69.34512	1.3
78.77450	0.8
79.05479	2.2
81.07043	0.8
91.05479	5.3
93.07036	1.4
103.05482	0.8
105.07040	9.0
107.08633	2.0
115.05472	1.6
117.06981	3.5
119.08578	13.6
121.10171	1.0
128.06223	8.9
129.07005	26.2
130.07825	3.9
131.08594	4.6
133.06493	1.5
133.10117	3.1
141.06996	6.3
142.07747	1.1
143.08574	4.9
144.09332	1.9
145.06482	1.9
145.10126	19.6
146.07246	1.0
147.08058	4.9
147.11694	12.5
155.08569	3.2
156.09346	51.1
157.06491	15.4
158.07336	1.6
159.08084	4.0
159.11700	14.5
160.08890	1.3
161.06024	1.5
161.09627	2.8
161.13239	1.3
171.11693	64.9
172.12137	1.0
174.06796	12.7
174.10385	7.0
189.09209	28.7
189.12743	100.0
190.13101	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28479	0.6
53.03945	0.9
55.05527	3.3
56.96574	1.2
59.05013	1.0
61.02925	1.4
67.05504	1.5
69.03432	7.9
69.07065	2.5
69.77672	1.1
69.78079	2.1
70.98111	1.0
74.30225	0.5
79.05499	1.6
81.03436	0.9
81.07063	3.4
83.04983	5.3
84.04494	0.9
85.02903	1.1
85.04839	0.8
85.06551	0.7
91.05484	12.3
93.07026	2.9
95.04933	0.7
95.08615	4.1
99.04500	1.6
103.05466	1.2
103.54729	0.5
105.07033	17.3
106.96549	0.9
107.03957	0.5
107.04922	1.0
107.08596	3.0
109.06531	1.1
109.10178	1.9
111.04488	1.3
115.05432	2.9
116.06251	3.6
117.07037	2.4
118.04159	0.8
119.04948	0.9
119.08582	19.7
121.06509	1.1
121.10148	2.0
128.06221	5.4
129.03333	1.0
129.05553	3.3
129.07005	16.1
131.08571	100.0
132.08958	0.7
133.06491	2.1
133.10127	11.0
135.08080	0.9
139.03851	0.6
141.06929	0.7
143.04900	1.1
143.08536	2.9
145.06448	1.9
145.10143	5.8
146.03667	0.7
146.07300	1.4
146.10898	1.3
147.04645	0.6
147.06828	0.9
147.08043	6.8
147.11691	40.8
155.06079	1.2
156.09366	4.3
157.06491	8.7
158.07225	1.7
159.08072	2.3
159.11688	0.9
160.08801	1.3
161.06004	4.1
161.09651	4.4
161.13257	5.9
166.03947	0.8
171.04425	1.8
171.11719	6.4
174.03111	1.1
174.05417	0.8
174.06778	8.5
174.10295	3.3
186.12184	0.6
189.05490	9.9
189.07315	1.2
189.09128	21.1
189.12740	34.1
189.16364	15.0
190.06200	0.6
190.43076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
53.31904	0.7
55.05521	5.8
57.03430	1.8
61.02916	3.0
65.03930	1.2
67.05484	2.5
69.03433	24.5
69.07056	3.1
71.05007	1.1
71.58814	1.2
74.88229	0.8
79.05490	2.6
81.03410	2.8
81.07034	5.0
83.04989	11.9
85.02920	1.9
91.05475	7.0
93.07042	3.9
95.08610	7.4
99.04482	5.3
103.05438	1.2
105.06387	1.5
105.07040	19.8
106.96600	1.4
107.08574	5.4
109.10132	1.8
111.04449	4.6
115.05431	2.0
117.07002	3.6
119.08588	26.9
121.10140	2.2
124.97610	0.8
128.06226	3.5
129.03371	1.7
129.05492	11.2
129.06996	3.3
130.07785	4.6
131.04880	1.2
131.08575	6.3
133.06429	1.1
133.10150	14.7
141.07010	6.9
142.07742	1.4
143.08554	5.8
144.09364	1.8
145.06442	1.2
145.10133	17.8
146.10860	1.3
147.08107	5.0
147.11708	19.5
149.02318	0.9
155.08551	2.9
156.09352	44.4
159.08064	5.4
159.11707	14.2
161.13235	3.9
171.11696	52.3
174.06789	2.5
174.10455	5.4
189.05518	7.6
189.07512	2.2
189.09131	4.9
189.12750	100.0
189.16371	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	189.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57591	1.0
53.03940	3.4
55.05519	12.1
56.96587	7.4
57.03427	1.5
57.07060	1.4
61.02932	7.1
66.39015	1.2
67.05505	10.1
69.03073	2.3
69.03434	37.8
69.07072	9.6
69.65884	8.0
71.04982	4.6
79.05502	7.9
81.03417	4.7
81.07064	29.8
83.04988	19.3
83.08601	3.5
85.02934	2.9
91.05491	14.8
93.07051	11.2
95.08616	38.5
97.10159	3.1
99.04474	8.2
102.19577	1.3
103.05458	1.8
105.07042	54.5
106.96571	6.9
107.08603	18.5
109.10180	9.1
111.04482	8.1
115.05548	1.9
117.07013	3.1
119.08591	84.7
119.78069	1.0
121.05965	1.3
121.10155	7.3
121.96945	1.8
124.04637	3.1
124.97600	6.1
128.06248	2.6
129.03444	5.8
129.05493	19.2
129.07018	4.6
130.97501	2.7
131.04936	1.6
131.08566	6.2
133.10144	51.0
134.95511	1.4
135.98177	1.1
136.06519	1.8
142.98721	4.3
143.08527	2.0
145.10120	5.9
146.04085	1.2
146.10918	3.0
147.06578	2.5
147.11703	37.0
154.49734	1.4
157.06458	1.4
157.54919	1.7
158.07256	2.7
159.04417	2.1
159.11670	2.6
161.05994	1.7
161.09618	2.1
161.13263	27.9
163.50204	1.3
171.11682	4.7
174.06784	8.5
174.14078	1.9
189.05484	16.1
189.07561	3.8
189.09082	15.4
189.12715	12.6
189.16399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03934	2.1
55.05510	6.3
55.67296	0.9
57.07076	1.6
57.22191	0.9
61.02914	3.9
67.05512	5.1
69.03089	1.1
69.03436	17.3
69.07067	7.4
71.58200	1.5
76.65555	0.8
76.77362	0.8
79.05473	2.7
81.07061	9.8
81.93108	0.9
83.04990	11.2
83.08613	3.0
83.90771	0.9
85.02892	2.1
91.05484	9.0
93.07024	3.5
95.08612	21.4
99.04443	3.6
103.05431	1.2
105.07034	25.0
106.96558	1.7
107.08613	8.5
109.10149	3.9
111.04473	2.9
115.05501	1.3
117.07053	0.8
119.08585	46.9
121.10157	5.0
124.04618	1.0
124.97579	1.3
129.03369	1.5
129.05504	9.9
131.08598	5.6
133.10136	36.0
139.78822	1.1
145.10115	3.7
146.10959	2.2
147.06485	1.3
147.11693	32.4
149.02330	1.7
156.09317	0.9
159.11697	2.9
160.12497	1.3
161.13266	7.6
169.83856	0.9
171.11736	1.4
174.06723	1.7
174.14069	2.6
188.72618	0.8
189.05495	5.8
189.07474	2.0
189.09152	3.2
189.12767	3.0
189.16391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03941	4.9
55.01856	2.0
55.05511	11.9
56.03276	1.3
56.96557	5.2
61.02929	6.8
65.06184	1.2
67.05496	5.8
69.03085	2.3
69.03435	40.6
69.07070	10.2
71.04990	3.7
71.58945	2.0
79.05481	3.0
81.03411	3.6
81.07045	8.2
83.04987	20.2
83.08627	3.3
85.02911	4.6
91.05482	9.0
93.07037	6.1
95.08048	2.1
95.08614	24.3
99.04462	8.1
102.03325	2.6
103.05527	1.4
103.57655	1.2
105.07040	27.4
106.96587	8.2
107.08609	11.7
109.10159	3.8
111.04491	6.6
117.07008	2.6
119.08589	39.9
121.10155	6.2
121.96948	1.5
124.04673	3.0
124.97588	6.5
125.09684	1.4
128.06226	2.1
129.03377	3.4
129.05496	18.7
129.06964	3.2
131.04890	2.5
131.08536	3.2
133.06580	1.5
133.09116	1.7
133.10141	32.1
133.47768	1.4
135.55484	1.4
136.06436	1.8
142.98654	4.6
143.04904	1.7
143.08582	2.0
145.10088	6.7
146.04109	2.5
146.10933	2.0
147.06525	2.9
147.08148	2.4
147.11705	30.8
147.99217	1.5
149.02345	2.1
154.49731	2.3
156.09375	3.1
157.54932	1.7
158.07310	2.5
159.11723	2.6
160.12512	2.4
161.09746	1.4
161.13274	6.0
171.11687	2.6
174.03101	2.7
174.06729	9.7
189.05464	19.4
189.07533	3.9
189.09097	14.5
189.12656	11.6
189.16391	100.0
190.16655	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.81284	0.8
53.03930	1.3
55.05509	8.5
56.96555	1.2
57.03440	1.0
57.07070	1.5
61.02922	2.0
67.05512	8.3
69.03434	14.3
69.07067	8.0
70.72606	1.8
71.04984	1.3
79.05493	5.8
81.07061	42.8
83.04980	8.7
83.08607	3.1
85.02877	1.0
91.02042	0.9
91.05484	10.7
92.68256	0.8
93.07037	8.7
95.08612	48.9
97.06444	0.8
97.10153	3.0
98.21341	0.9
99.04436	3.8
105.07037	35.9
106.96549	2.8
107.08599	19.6
109.06535	1.0
109.10170	7.8
111.04433	2.8
115.05436	1.0
117.06995	1.6
119.08589	49.6
121.10140	6.0
124.04704	0.9
124.97605	2.4
129.03398	2.5
129.05502	8.0
129.06961	1.2
131.08549	5.0
133.10141	45.1
145.10153	4.0
146.10919	2.2
147.11696	30.3
151.51825	0.9
159.11694	3.0
160.12498	3.1
161.13277	10.7
174.06795	2.0
174.14005	1.6
175.34102	0.8
189.05495	4.9
189.07564	1.7
189.09131	3.2
189.12752	4.3
189.16389	100.0
190.16658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03953	0.9
55.05513	5.2
57.03435	0.6
57.07064	0.8
61.02915	1.8
67.05507	3.9
69.03430	6.2
69.07072	7.7
70.24155	0.5
70.95724	1.0
70.96083	0.7
71.04985	1.3
72.09005	0.5
79.05503	1.1
81.03424	0.9
81.07067	3.7
83.04993	4.5
83.08593	2.2
85.02905	0.9
87.73363	0.5
91.05480	5.9
93.07040	2.4
95.08611	22.6
97.96207	0.5
99.04449	2.2
105.07039	21.4
106.96572	1.0
107.08606	7.1
109.10178	3.8
110.12811	0.5
111.04442	1.8
117.07027	1.5
119.08588	34.5
121.10144	3.4
124.97585	0.5
125.63521	0.5
128.06236	0.6
129.03384	0.5
129.05473	4.8
130.39255	0.4
131.08592	3.8
133.10133	26.4
138.03465	0.5
145.10143	4.5
146.10924	2.3
147.06500	0.7
147.11694	28.5
159.11720	2.4
160.12469	1.7
161.09673	0.6
161.13266	4.8
171.11751	0.6
174.06824	0.9
174.14064	1.3
189.05505	1.9
189.07565	0.9
189.09128	1.2
189.12740	2.1
189.16391	100.0
190.16695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.164
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.57231	0.7
53.03936	0.9
55.05515	9.3
56.96557	0.8
57.07061	2.0
58.29694	0.8
61.02911	1.5
67.05222	0.8
67.05514	8.1
67.51628	0.8
69.03429	4.3
69.06719	1.3
69.07073	21.2
69.72112	1.6
69.72532	3.9
71.05006	1.1
76.83045	0.8
77.06001	0.7
79.05492	4.4
81.03423	0.9
81.07062	15.8
83.04977	3.4
83.08618	8.4
84.83118	0.7
91.05485	11.5
93.07051	9.0
95.08610	32.7
98.21053	2.7
99.04434	1.9
103.05449	0.9
105.07036	39.3
106.96529	1.1
107.08599	14.0
107.28603	0.9
109.10171	5.5
111.04437	1.5
117.07040	2.3
119.08585	74.4
121.10146	12.2
122.20000	0.9
128.06198	1.3
129.05495	2.4
131.08586	6.6
133.10136	100.0
135.11700	1.3
143.08575	2.8
145.10168	5.3
146.10910	3.7
147.08185	1.0
147.11690	36.6
159.11626	4.1
160.12531	2.2
161.05971	1.3
161.13263	7.7
171.11719	1.6
174.06778	1.5
174.10335	1.2
174.14041	1.4
189.05461	2.2
189.09076	4.2
189.12823	6.6
189.16391	78.6
190.16743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
56.96567	1.7
57.07070	0.9
58.90354	0.3
58.99860	0.8
65.03899	0.3
69.03415	0.8
69.07066	0.4
70.98811	0.3
77.00913	0.6
79.05475	0.4
81.03423	0.6
81.07040	0.7
82.01463	0.5
83.04980	0.4
85.01398	0.4
86.99297	0.4
88.36598	0.3
91.05480	0.8
93.07076	0.7
97.02888	0.3
98.97590	5.5
100.02495	1.5
101.00881	1.5
102.00952	0.4
103.02426	0.9
104.02531	0.7
105.02168	0.4
106.96616	0.3
106.99445	0.3
107.08567	0.3
111.00790	0.3
115.02422	1.3
116.98637	3.7
118.03543	0.9
119.01915	3.1
120.02007	1.4
121.01614	0.3
121.03503	0.4
121.06521	1.1
127.02364	0.7
128.68419	0.4
129.03966	0.7
131.00192	0.4
131.01900	0.7
131.21490	0.3
133.03471	0.6
134.99684	1.9
137.02901	0.6
137.05977	0.4
138.03024	0.3
139.02438	1.0
141.03986	0.4
142.03548	0.9
143.01906	0.4
144.47258	0.6
145.03508	2.2
146.02939	0.4
146.04089	0.4
146.47511	0.4
147.05052	0.5
148.05161	0.9
149.01007	1.3
149.04811	0.3
151.04324	0.4
155.04581	0.7
157.03488	3.3
158.99663	0.4
159.05072	0.6
161.02974	0.8
162.03064	0.3
165.02184	0.5
166.06126	0.3
167.01910	11.3
167.05574	0.6
167.59656	0.6
168.05038	1.5
175.04550	0.7
177.00931	0.6
179.10484	0.4
184.04646	0.4
185.02975	100.0
186.03239	1.5
190.03618	1.3
190.06284	1.9
190.08672	0.5
195.05081	0.4
195.98163	0.7
203.04021	13.6
204.04309	0.5
208.04590	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	190.0863
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
51.30288	0.4
71.57270	0.6
73.02923	3.2
91.05515	1.1
103.05476	1.2
104.05801	0.4
115.05442	1.4
117.05781	1.0
117.07036	4.4
118.06554	19.4
118.07216	0.7
119.08554	0.6
121.06573	0.6
130.06540	100.0
131.07248	0.9
131.08638	0.5
132.08113	2.3
143.07346	4.8
144.08092	67.0
145.06473	0.7
145.08424	0.7
145.10161	0.9
152.08475	0.5
154.06570	1.3
155.06049	0.8
160.07599	4.3
172.07574	23.4
190.04903	0.6
190.08612	10.5
190.13184	0.9
191.10609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
53.39870	0.6
55.01881	0.6
55.05513	34.9
56.04674	0.5
56.04767	0.6
56.05042	7.2
56.96566	4.1
57.03430	2.1
59.05012	4.3
61.02917	1.1
69.03429	2.4
69.07053	1.5
70.03785	0.7
70.06581	2.3
70.70549	1.2
70.70908	1.2
71.05002	0.9
72.08160	23.5
73.02896	2.5
73.06179	0.9
73.06561	12.2
81.03407	1.7
82.06586	12.6
83.04982	10.9
83.38377	0.5
84.08147	3.2
85.02901	2.3
86.09692	0.9
88.03986	0.9
90.09193	9.8
91.05476	2.2
97.02351	0.6
97.02905	3.8
98.06050	0.6
98.09692	2.3
98.97586	7.6
99.04489	0.9
100.07620	14.2
101.00880	1.3
101.06025	36.0
101.07979	0.8
107.04933	1.1
109.02867	2.2
110.01338	0.6
110.09682	1.1
110.97559	0.8
112.07600	1.8
112.99125	2.6
115.02422	0.9
116.98611	2.4
118.08655	2.3
119.01881	2.2
119.03460	0.6
119.04958	1.2
121.06528	1.6
123.04413	0.6
126.12794	4.0
129.04082	0.7
131.00163	2.3
131.01949	1.1
131.03450	0.5
131.53337	0.6
133.03436	0.6
137.05977	3.8
143.01906	1.6
144.10208	6.2
145.01691	0.6
145.03445	1.7
147.03136	0.8
149.01192	1.4
154.12282	22.9
157.54337	2.3
158.04065	1.8
158.99646	1.3
161.02919	0.9
167.01939	0.9
169.04416	2.1
172.13345	25.3
177.00705	0.7
178.04919	4.1
179.05469	0.6
181.03369	1.4
185.02959	4.2
190.14394	100.0
191.14679	0.8
194.30643	0.6
195.05043	1.0
205.45485	0.6
209.96382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0339
Annotation	3,5-Dihydroxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
51.02382	0.6
53.00316	5.5
53.03951	2.8
55.01871	1.1
55.05507	0.8
63.02383	1.3
65.03947	3.5
67.05504	1.1
69.03446	1.1
69.07082	1.1
69.29733	1.9
69.30167	2.3
77.03944	1.1
79.05501	22.5
81.03458	0.4
81.07050	1.1
83.04980	0.8
89.03925	32.4
91.05492	6.9
93.03419	3.3
93.07051	2.3
95.01348	1.9
95.04977	3.5
95.08622	2.1
97.06564	0.5
103.05476	2.8
105.03393	0.6
105.04545	2.1
105.07025	2.5
107.04962	28.5
107.08615	4.3
109.06519	0.7
109.10172	1.1
117.03389	23.1
117.07050	0.6
118.04186	0.9
119.04946	1.3
119.08602	2.0
121.02886	10.3
121.06541	0.8
121.10155	2.6
123.00788	0.6
130.07774	0.5
131.04970	2.6
131.08575	3.6
132.02074	0.9
133.02876	0.6
133.10132	4.8
135.04427	52.3
135.08038	2.7
135.11682	1.0
139.03943	0.5
141.01862	0.6
143.08551	0.7
145.02866	16.1
145.03944	0.5
145.06552	0.8
145.10127	1.8
147.04381	1.4
147.11713	2.6
148.05200	1.7
149.01151	1.1
149.02350	19.4
149.13243	1.6
151.03923	1.4
158.10875	0.9
163.03918	100.0
163.07538	3.3
163.14812	0.8
164.04248	0.9
167.03404	2.6
173.13272	4.8
176.04660	0.9
189.01855	1.7
191.03407	18.0
191.07066	4.7
191.10655	0.8
191.14330	7.4
191.17961	0.8
207.02925	1.1
209.04460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0339
Annotation	3,5-Dihydroxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
50.01607	0.3
53.00310	5.8
53.03957	2.3
55.05534	0.3
55.64559	0.4
63.02379	1.0
65.03938	2.4
67.05492	0.4
69.03432	0.7
71.31012	0.4
77.03930	1.1
79.05498	21.0
81.03435	0.7
83.04982	0.4
89.03922	30.4
91.05487	6.5
93.03410	1.9
93.07008	0.5
95.01332	1.8
95.04968	4.3
103.05476	1.2
105.03378	0.5
105.04534	1.2
105.07042	0.8
107.04961	28.2
107.08593	1.3
111.04433	0.5
117.03385	21.7
118.04185	0.5
119.04910	1.1
119.08574	0.7
120.95929	0.4
121.02874	8.2
121.06538	0.5
121.10149	0.9
123.00774	0.6
131.04962	0.7
131.08586	1.2
132.02098	1.2
133.02899	0.6
133.10141	1.7
135.04425	48.5
135.08058	1.0
136.04716	0.4
137.09695	0.5
139.03914	0.5
145.02852	15.6
145.03992	1.0
145.06445	0.4
145.10088	0.6
147.00768	0.5
147.04436	1.0
147.11751	0.6
148.05199	0.9
149.02354	14.5
149.13281	0.6
151.03917	1.1
158.10928	0.5
161.02295	0.5
163.03914	100.0
163.07562	1.6
164.04298	1.0
167.03445	1.2
173.13271	1.6
176.04707	0.5
189.01871	1.9
191.03406	17.5
191.07053	2.4
191.14310	3.7
207.02902	1.1
209.04422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
51.02377	0.4
53.03946	1.8
53.39154	0.4
55.01877	1.9
55.05514	3.2
57.03434	0.4
57.07090	0.4
65.03931	0.6
67.05516	2.7
69.03419	2.3
69.07076	7.5
70.74959	0.8
71.04983	1.3
77.03922	1.2
79.05502	18.3
81.03419	0.9
81.07058	2.9
83.04996	3.5
91.05486	13.8
93.07050	12.9
95.04436	0.6
95.04980	5.6
95.08590	2.0
97.02923	0.6
97.06538	6.6
97.96718	0.4
98.97603	0.5
103.05479	3.6
105.04536	1.2
105.07041	27.5
106.07384	0.4
107.04967	26.7
107.08601	9.1
109.06541	2.5
109.10190	1.0
115.05452	2.2
116.06254	1.8
117.07028	20.9
118.04198	0.7
119.04967	0.5
119.08586	9.0
121.06516	30.5
121.10154	6.1
123.08094	0.5
128.06230	1.5
129.07043	2.4
130.07796	8.6
131.04924	2.5
131.08582	23.4
133.02843	0.5
133.06465	1.9
133.10133	5.5
135.04436	1.0
135.08081	4.1
135.11722	4.8
143.08627	3.3
145.10136	100.0
146.10474	0.9
147.08060	1.0
147.11705	4.4
148.05191	1.7
148.08855	1.1
149.06009	2.4
149.09656	3.9
149.13226	0.8
155.08597	1.4
158.07249	1.9
158.10980	0.7
161.09596	0.7
163.07553	2.4
163.11198	29.6
173.06006	0.5
173.09627	6.9
173.13249	3.0
176.04698	1.4
191.07062	4.9
191.10690	30.5
191.14320	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	191.1068
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
51.84998	0.4
52.25648	0.6
53.00333	0.4
53.03938	2.7
53.89643	0.6
54.35045	0.5
55.01865	2.4
55.05513	5.8
57.03439	0.9
57.07070	0.9
62.90258	0.4
65.03936	0.6
67.05509	5.0
69.03432	8.2
69.07072	11.2
71.04992	1.5
71.57300	1.0
77.03938	0.9
79.05497	24.6
81.03419	0.7
81.07062	7.0
83.04984	5.3
83.08622	1.3
83.44215	0.5
85.06541	0.7
91.05483	19.0
92.05804	0.5
93.07053	17.4
95.04970	6.8
95.08610	3.5
97.02903	1.1
97.06538	5.3
98.92638	0.5
103.05483	2.3
105.04514	0.6
105.07036	36.4
107.04958	30.3
107.08596	22.2
109.06531	5.3
109.10159	8.5
115.05421	3.3
116.06229	2.2
117.07021	18.9
119.08590	10.9
119.09438	0.6
121.06512	33.4
121.10146	18.1
122.07272	1.7
123.08082	2.8
127.21823	0.5
128.06250	0.9
129.07037	2.7
130.07794	9.1
131.04921	0.9
131.08578	27.5
132.09465	0.6
133.06487	1.9
133.10136	96.8
134.10390	0.7
135.04454	1.2
135.08061	9.1
135.11702	6.5
137.09622	15.1
143.08556	4.8
144.09290	0.5
145.10129	100.0
146.10495	1.2
147.08076	2.3
147.11710	8.2
148.08807	0.7
149.05959	3.2
149.09618	4.1
149.13260	11.6
155.08571	1.5
158.07228	2.5
158.10924	2.8
161.09651	1.3
163.03923	0.5
163.11192	29.7
163.14815	2.2
173.06042	0.5
173.09647	9.2
173.13257	12.1
191.07039	1.1
191.10683	31.3
191.14316	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	191.1069
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03944	2.4
55.01877	8.1
55.05516	11.2
56.96585	1.9
57.03426	2.5
57.07080	2.3
65.03952	1.4
67.05503	12.4
69.03429	14.3
69.06718	1.8
69.07070	24.5
69.36526	10.0
71.05005	8.0
72.47574	1.2
77.03905	1.3
77.34637	1.0
79.05067	1.4
79.05497	19.6
81.03381	1.9
81.07061	17.8
83.04992	12.7
83.08603	3.3
83.36932	1.2
84.90449	1.3
85.06504	2.0
87.05594	1.0
91.05485	34.2
93.06470	2.0
93.07049	39.2
95.04979	18.5
95.08615	10.9
96.05738	1.4
97.06541	6.5
98.21227	5.3
98.97594	4.0
99.04443	1.3
103.05473	3.1
105.07037	59.2
107.04949	9.1
107.08603	55.7
107.89541	1.3
109.06529	30.4
109.09463	1.9
109.10167	29.9
115.05459	4.1
116.06264	3.3
117.07020	19.2
119.08588	16.0
121.06509	49.4
121.09322	2.2
121.10156	29.8
122.07298	1.9
123.08093	10.8
129.06985	5.6
130.07808	12.0
131.04886	1.7
131.08577	50.5
133.06529	2.0
133.10138	85.5
135.04387	2.3
135.08060	73.1
135.11652	10.4
137.09631	9.8
143.08563	5.7
144.09439	1.9
145.06520	2.8
145.10129	70.7
147.08014	2.1
147.11711	15.5
148.08841	2.2
149.02371	1.3
149.05969	6.9
149.09642	15.4
149.13281	14.9
155.08571	4.1
158.07288	5.8
158.10910	7.6
158.99605	1.4
161.09630	4.5
163.11186	37.9
163.14804	3.9
166.27319	1.5
170.04123	1.7
173.09641	27.2
173.13272	31.2
176.11958	2.6
191.03360	2.7
191.07112	7.8
191.08888	2.7
191.10692	66.3
191.14310	100.0
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
53.03933	0.6
55.05515	3.4
57.07085	0.9
57.55157	0.6
59.78726	0.6
59.85554	0.6
61.79838	0.5
62.44997	0.5
67.05505	3.5
69.03432	7.9
69.07065	2.8
70.70065	1.1
70.70428	1.3
71.04993	4.9
79.05496	3.7
81.07058	4.5
83.04989	2.0
83.08624	0.9
85.06541	1.1
89.06659	0.5
91.05480	6.5
91.10980	0.6
93.07049	4.5
95.04996	2.8
95.08594	2.9
105.07038	10.8
107.04955	1.5
107.08599	18.5
109.06538	3.4
109.10168	9.0
115.74456	0.6
117.06985	1.3
118.07764	0.8
119.08592	5.4
121.06496	2.0
121.10149	13.4
122.07327	3.3
123.08078	11.8
131.08566	7.2
133.10139	100.0
135.08069	7.0
135.11703	1.9
137.09628	18.6
143.08577	1.0
144.09445	1.0
145.10126	4.0
147.11688	3.8
149.09618	2.4
149.13266	10.5
158.10942	2.5
161.09471	0.7
163.14841	2.5
172.89920	0.6
173.13272	14.9
180.74644	0.6
191.10733	1.1
191.14323	19.9
213.24043	0.6
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
53.03954	2.8
55.01865	2.4
55.05510	8.6
56.93746	1.2
56.96564	1.7
57.03424	2.5
57.07066	3.4
65.03951	1.8
67.05509	11.2
69.03128	1.2
69.03437	13.8
69.06787	1.2
69.07074	15.0
70.59813	2.6
71.04983	4.2
79.05494	12.0
81.06643	1.5
81.07070	19.0
83.04989	11.8
83.08624	3.9
85.06540	4.0
86.25744	1.0
91.04971	1.6
91.05489	20.3
93.07049	27.4
95.04984	8.0
95.08618	24.3
97.06535	9.1
97.10150	1.0
98.93433	1.2
98.97603	7.8
103.05466	8.4
105.06383	2.2
105.07036	29.3
107.04962	16.4
107.08601	57.1
109.06529	15.2
109.10161	8.5
111.08084	3.4
115.05470	2.8
116.06245	2.5
116.98577	1.6
117.07032	7.4
118.04135	1.7
118.06558	10.3
118.46750	1.0
119.08598	19.3
121.02856	1.6
121.06512	38.8
121.10149	55.9
122.06785	1.4
123.08092	13.3
123.11736	1.7
129.07013	3.0
130.07762	2.4
131.04926	5.8
131.06892	5.1
131.08572	41.3
133.10133	37.3
133.10902	0.7
135.04427	1.4
135.08060	27.7
135.11703	10.1
137.09593	1.7
143.08553	3.1
144.09335	2.4
145.06480	3.0
145.08388	4.1
145.10138	22.5
146.06070	1.8
147.08052	3.1
147.11693	21.1
148.05255	2.5
149.09627	37.1
149.13242	15.5
158.10902	9.9
158.99742	2.6
159.04442	1.8
159.08104	5.4
161.09662	1.9
161.13226	1.5
163.07588	5.0
163.11179	4.9
163.14833	16.4
170.04147	2.2
173.06015	2.6
173.08109	1.7
173.09628	3.3
173.13281	44.0
174.05522	1.5
176.04716	2.0
179.04651	3.1
190.55357	1.2
191.07053	13.8
191.10690	12.0
191.14316	100.0
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.92302	0.6
51.02381	0.8
53.03947	3.0
55.01877	2.5
55.05521	5.3
55.40314	0.6
57.03441	0.9
57.07088	1.0
57.94736	0.6
65.03949	1.1
67.05511	5.8
68.53015	0.6
69.03440	9.2
69.07074	10.3
70.19719	2.5
70.20074	0.9
71.04992	1.2
74.44523	0.6
77.03932	1.6
79.05055	1.4
79.05505	22.5
79.05968	1.2
81.03428	0.9
81.07063	6.1
83.05007	4.3
83.08626	1.0
85.06558	0.7
91.05491	17.6
93.07048	18.2
95.04969	5.0
95.08611	4.0
97.06554	6.2
103.05453	1.0
105.04474	0.7
105.07043	35.4
107.04965	26.9
107.08612	22.0
109.06512	3.8
109.10168	7.7
109.87334	0.6
115.05450	3.6
116.06207	1.2
117.07026	16.9
118.07834	0.7
119.06043	0.5
119.08585	11.4
121.06522	32.2
121.10153	18.5
122.07286	2.0
123.08154	3.0
128.06276	0.9
129.07008	2.6
130.07797	7.0
131.08585	23.4
133.06526	1.8
133.10146	100.0
135.04385	0.9
135.08063	7.8
135.11687	6.5
137.09628	15.9
143.08578	3.8
145.10139	92.0
146.10504	1.3
147.08000	0.9
147.11723	6.9
148.08867	0.8
149.05984	1.9
149.09669	4.2
149.13278	11.5
155.08545	2.1
158.07266	1.2
158.10954	3.4
161.09708	1.0
163.11201	25.7
163.14870	2.1
164.11461	0.7
173.09644	6.7
173.13268	12.3
191.08939	1.2
191.10692	26.3
191.14323	24.8
191.16080	1.2
205.10901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05513	4.7
62.50906	0.9
67.05511	7.4
69.03426	10.3
69.07069	12.2
71.30982	1.5
79.05507	6.1
79.05888	1.4
81.07059	11.3
83.04993	7.8
83.08611	2.9
85.06572	0.9
91.05493	5.7
93.07041	11.7
95.04974	10.2
95.07998	0.7
95.08610	16.6
97.06527	5.7
103.05450	2.4
105.07036	9.2
107.04941	2.1
107.08598	34.9
109.06509	4.1
109.10138	2.5
111.08054	2.4
115.05497	1.2
117.07005	2.9
119.08570	8.2
121.06513	13.7
121.09319	1.7
121.10146	25.1
121.11031	1.2
123.08067	3.4
126.93840	0.9
129.07016	1.2
130.55722	1.0
131.04945	2.6
131.08578	11.2
132.05705	0.9
133.09233	1.6
133.10136	17.5
134.11014	0.9
135.07106	1.3
135.08063	15.0
135.11694	7.0
137.09612	1.6
143.08553	2.0
145.10150	5.3
147.08067	1.8
147.11691	14.1
148.08815	4.8
149.09633	11.3
149.13254	10.8
158.10901	5.7
161.09599	1.2
163.07567	2.2
163.14796	7.2
173.13269	20.2
176.04750	2.0
191.06995	6.0
191.08557	1.9
191.14308	100.0
192.14726	1.0
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
51.36663	0.7
55.05529	2.8
57.03430	0.5
57.07064	0.9
65.03950	0.6
67.05511	2.5
69.03442	6.3
69.07082	2.7
69.31822	1.7
69.32232	2.9
76.15975	0.5
79.05497	4.7
81.03449	0.8
81.07066	4.7
83.04996	1.5
83.08636	0.7
91.05489	5.1
93.07039	3.7
95.04985	0.8
95.08626	1.7
98.21478	1.1
102.15089	0.5
105.07043	8.9
107.04984	2.6
107.08611	14.7
109.06524	1.1
109.10168	6.2
117.07038	1.4
118.07841	0.6
119.08593	2.8
121.06559	1.4
121.10163	11.2
121.21423	0.6
122.07314	2.5
123.08059	2.0
125.65053	0.5
129.07024	0.7
131.08572	4.0
133.10147	100.0
135.08125	2.8
135.11797	1.1
137.09631	16.6
143.08571	1.3
145.10130	1.6
147.11719	2.5
149.09682	0.8
149.13266	11.2
158.10941	2.3
163.14906	1.2
173.13298	8.3
191.14333	14.1
211.47974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01862	1.6
55.05503	4.6
57.07057	1.5
67.05507	8.0
69.03062	2.0
69.03426	17.7
69.07072	10.6
70.84925	2.2
79.05482	7.4
81.07064	14.0
83.04990	9.1
83.08605	3.1
83.73797	1.0
91.05457	8.8
93.07043	13.1
95.04967	10.4
95.08607	14.9
97.06525	5.1
103.05492	1.3
105.07036	15.3
107.04974	3.5
107.08596	38.4
109.06516	7.1
109.10156	4.4
110.39384	1.3
111.08076	2.3
115.05446	1.8
117.07022	2.5
119.08588	8.3
121.06522	13.1
121.10139	34.3
122.07283	1.5
123.08089	5.8
129.07005	1.4
131.08554	13.6
133.06572	1.7
133.10133	68.0
135.08047	15.0
135.11684	7.0
137.09634	15.4
143.08578	3.2
145.10117	7.2
147.08075	2.8
147.11693	15.0
148.08833	4.1
149.09610	12.7
149.13254	16.2
156.09348	1.1
158.10933	8.4
161.09566	2.2
163.11168	1.2
163.14809	9.9
173.13274	25.6
180.10782	1.1
191.14311	100.0
209.26643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01878	3.5
55.05520	2.9
57.07080	1.0
61.75918	0.5
67.05490	1.6
69.03130	0.6
69.03440	5.2
69.06730	0.7
69.07074	11.6
69.33631	4.7
69.33958	0.8
72.52632	0.5
79.05494	3.8
81.03411	0.8
81.07058	4.0
83.04974	2.2
83.08630	0.6
84.59178	0.5
91.05490	5.6
92.76205	0.5
93.06473	0.7
93.07050	11.4
95.04969	0.7
95.08607	2.5
97.06521	2.2
103.05487	0.5
105.06379	0.8
105.07030	7.3
107.04955	1.0
107.08609	16.4
109.06495	1.3
109.10161	4.3
110.55987	0.5
117.07041	2.2
117.14015	0.5
119.08592	3.5
121.06523	13.5
121.10149	13.2
122.07281	2.2
123.08083	2.1
127.41301	0.5
129.06999	0.6
131.08580	4.3
133.10143	59.9
135.08060	7.7
135.11673	3.8
137.08655	0.9
137.09631	12.1
142.82516	0.6
143.08516	1.3
145.10120	3.3
147.10484	1.1
147.11691	21.7
149.09665	4.1
149.13278	9.4
150.61488	0.6
158.10941	2.7
161.09656	4.4
163.14835	3.1
173.13280	12.0
176.11990	2.1
191.14320	100.0
192.14626	0.7
214.07834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03954	0.7
55.05516	3.5
57.07052	0.7
62.00682	0.6
67.05513	2.6
69.03439	7.7
69.07063	3.7
71.05000	0.6
71.29086	1.1
79.05499	4.0
81.07060	4.6
83.04990	1.5
91.05495	5.2
93.07050	4.8
95.08635	1.5
105.07030	8.1
107.04990	1.9
107.08604	15.7
109.06530	1.3
109.10157	5.2
115.05486	1.4
117.07041	1.6
119.08612	2.6
121.06483	2.8
121.10152	10.6
122.07297	3.8
123.08086	0.9
129.06981	0.7
130.30458	0.6
131.08578	4.0
133.10138	100.0
135.08055	3.1
135.11713	2.1
137.09630	20.6
143.08540	1.0
144.84837	0.6
145.10147	3.0
147.11731	3.3
149.09631	1.6
149.13271	9.7
158.10907	1.7
161.09633	1.0
163.11185	0.6
163.14830	1.8
173.13272	9.7
180.31715	0.5
188.72603	0.5
191.14313	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.6
55.01865	3.4
55.05505	3.6
56.17097	1.3
65.03933	1.4
67.05511	10.5
68.15319	1.1
69.03418	5.0
69.07072	9.5
69.41734	8.2
69.42146	3.6
71.04651	1.5
71.05002	20.7
78.53329	1.3
78.58862	1.1
79.05499	15.7
79.12554	1.4
81.07072	12.3
83.04964	3.8
84.15859	1.2
85.06551	11.4
91.05486	21.1
92.05788	1.2
93.07053	16.9
95.04990	10.8
95.08614	17.6
97.06540	19.6
98.21466	3.1
103.05487	1.5
105.07036	30.4
107.04953	3.1
107.07868	3.1
107.08601	61.7
109.06527	15.0
109.10168	10.2
111.08073	4.8
117.07018	5.8
119.08611	12.2
121.06525	7.4
121.10159	44.0
123.08061	15.7
129.07018	2.9
131.08578	27.8
133.07657	1.4
133.10146	41.6
135.08067	76.2
135.11656	2.3
137.09567	2.4
143.08551	3.5
145.10124	11.5
147.11696	26.4
149.09636	7.6
149.13274	19.6
158.10941	7.8
161.09663	2.2
163.11157	4.0
163.14851	2.0
170.20142	1.5
173.13269	44.3
191.10811	3.2
191.14322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03948	0.7
55.01872	2.9
55.05505	1.2
57.07069	0.8
65.03953	1.2
67.05501	1.7
69.03432	2.4
69.07072	11.6
70.72081	0.5
70.72399	0.7
77.03934	0.5
79.05495	3.8
81.03405	0.7
81.07063	3.5
83.04976	2.2
83.08613	0.9
88.25645	0.4
89.03929	1.0
91.05486	6.8
93.06465	0.8
93.07051	11.4
95.04974	1.8
95.08617	3.5
97.06519	1.7
97.10116	0.5
100.94273	0.4
103.05484	5.4
105.03383	0.6
105.07047	6.3
107.04945	2.5
107.08601	12.5
109.06505	1.1
109.10181	2.8
115.05473	0.8
117.03376	0.6
117.07016	2.3
118.04155	1.8
119.04943	0.8
119.08585	4.0
121.02888	2.8
121.06509	11.8
121.10160	9.6
123.08056	1.9
123.11756	0.6
129.07021	1.0
130.04118	0.5
131.04941	4.6
131.08565	5.7
132.05733	0.4
133.02843	1.3
133.10141	9.3
135.04427	2.4
135.08061	7.6
135.11713	4.2
137.09628	1.3
143.08557	1.1
145.02872	0.8
145.06516	1.1
145.10118	4.6
147.04398	0.7
147.11700	18.5
148.05183	3.1
149.02330	3.9
149.05963	0.4
149.09628	3.3
149.13264	7.9
158.10870	2.8
161.09654	5.2
163.03908	3.8
163.07542	6.8
163.11169	0.9
163.14796	2.2
173.06003	0.6
173.09618	0.5
173.13277	11.2
176.04701	1.8
176.11983	2.4
191.03419	1.7
191.07063	10.0
191.14316	100.0
192.14633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.9
57.03431	1.2
67.05507	14.1
69.07074	3.6
69.50093	6.5
71.04996	41.3
79.05506	6.6
81.07037	5.9
83.08603	1.8
85.06548	4.6
90.75282	1.3
91.05484	11.2
93.07042	9.3
95.04971	18.1
95.08606	15.4
97.06528	5.6
105.07030	21.8
107.08606	15.3
109.06534	16.8
109.10165	22.5
111.08071	2.2
113.53349	1.2
116.58028	1.2
117.07029	3.1
119.08585	7.5
121.06493	3.2
121.10145	24.7
123.08077	100.0
123.11735	2.1
129.07027	2.9
131.07588	1.9
131.08572	36.4
133.10143	25.5
134.10822	1.1
135.08046	17.2
143.08562	4.4
145.10152	10.3
145.30466	1.4
147.11719	10.0
149.09604	2.4
149.13283	6.1
158.10970	5.9
160.96277	1.3
173.13266	42.9
176.12000	1.5
191.14313	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03948	1.0
55.05521	2.9
57.07079	1.0
67.05516	4.8
69.03436	8.1
69.06786	0.5
69.07089	4.9
69.38836	3.7
69.39256	2.3
71.05006	1.5
76.21345	0.6
79.05505	4.2
81.07063	6.0
83.04980	2.9
83.08632	2.0
85.06561	0.8
91.05495	6.9
93.07059	5.4
95.04985	4.1
95.08614	7.2
95.19590	0.8
97.06548	2.2
105.07047	11.4
107.04971	1.9
107.08604	20.7
109.06525	6.1
109.10172	10.7
111.73673	0.6
114.00633	0.8
117.07043	2.2
119.08599	3.2
121.06499	4.9
121.10158	16.9
122.07292	1.5
123.08096	2.6
129.06982	0.8
131.08586	8.8
133.10144	100.0
135.08061	11.1
135.11676	3.2
137.09633	16.6
143.08618	1.7
145.10135	5.1
147.11703	4.9
148.08818	1.2
149.09674	4.9
149.13277	13.0
158.10898	4.0
163.11232	0.7
163.14848	3.2
173.13271	16.2
189.90514	0.8
191.14330	35.1
203.01154	0.6
213.12521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88517	0.6
51.04729	0.6
51.39679	0.7
53.03943	1.0
55.01887	3.4
55.05520	2.0
58.99563	0.6
59.04998	0.7
65.03938	1.1
67.05510	5.9
67.65392	0.6
68.52222	0.6
69.03434	3.1
69.07069	4.8
69.55718	4.8
71.05001	8.2
79.05497	7.9
81.07059	5.4
83.04992	1.8
83.08612	1.2
85.06549	6.3
91.05489	11.5
93.07056	9.6
95.04981	10.5
95.08607	11.6
97.06541	10.0
98.97575	0.9
105.07039	17.6
107.04987	1.0
107.08604	34.8
109.06527	8.1
109.10163	6.2
111.08077	2.4
115.05457	2.0
117.07030	6.0
119.08585	6.0
121.06517	3.7
121.10150	21.0
123.08061	6.7
129.06993	0.7
131.08571	15.8
133.10149	20.4
135.08064	100.0
135.11635	3.4
136.08577	0.7
137.09618	1.5
143.08586	3.0
144.09259	0.8
145.10109	6.5
147.08084	0.7
147.11697	14.1
148.08836	0.8
149.09654	6.2
149.13275	10.8
158.10930	4.4
161.09621	1.3
163.11115	1.0
163.14821	2.8
173.13283	28.1
174.53030	0.7
176.11992	1.6
191.14322	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05503	2.7
57.07085	1.1
58.88552	0.7
62.79311	1.0
65.03931	1.1
66.09707	0.9
67.05508	9.9
69.03416	1.1
69.07060	3.5
69.72063	3.9
71.04996	42.4
76.73007	0.8
79.05503	5.6
81.07047	4.9
83.04967	1.1
83.08614	1.6
85.06545	5.6
91.05481	10.0
92.13352	0.8
93.07049	8.9
94.59618	0.9
95.04978	18.3
95.08610	14.9
95.09177	1.7
97.06541	4.6
105.07029	20.8
107.08595	14.6
109.06522	19.0
109.10161	21.8
111.08051	1.2
115.05462	1.0
116.06246	1.3
117.07006	3.3
119.08569	7.6
121.06490	3.1
121.09306	1.7
121.10157	24.1
123.08077	100.0
129.06995	2.7
131.08569	36.1
133.06464	1.0
133.10135	29.4
135.08055	20.7
143.08563	3.3
144.09341	1.1
145.10110	10.8
147.11691	8.1
149.09650	4.2
149.13272	5.1
158.10895	7.7
163.14810	1.3
173.13275	39.9
191.14313	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03941	1.5
55.05513	11.4
57.07065	3.2
67.05215	1.0
67.05512	10.7
67.07305	1.0
69.03430	1.5
69.07072	28.6
69.39781	8.8
71.58492	0.9
79.05502	9.1
81.07069	12.5
83.04966	2.1
83.08620	13.1
91.05483	5.7
93.07047	34.5
95.04958	1.1
95.08611	61.6
97.10175	6.8
98.21510	2.0
98.85333	1.0
105.07016	3.6
107.08602	40.6
109.06547	1.8
109.10161	32.9
111.11721	1.7
119.08570	3.0
121.06485	1.6
121.10150	64.4
123.08078	1.3
123.11712	6.7
131.08578	2.6
133.10143	3.3
133.92300	1.3
135.08060	1.7
135.11700	46.5
145.10065	1.3
149.13263	12.6
163.03935	1.2
163.14789	2.1
164.98317	1.0
173.13229	2.3
177.12408	1.2
191.03366	2.0
191.06995	2.3
191.08658	1.0
191.10713	1.7
191.14349	11.8
191.17960	100.0
192.18224	2.0
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
55.05513	6.4
57.07062	2.8
67.05504	5.7
69.07073	20.4
70.21089	1.4
70.21468	1.2
75.82987	0.6
77.39731	0.6
79.05495	5.3
81.07063	7.5
83.08624	7.3
91.05492	2.9
93.07049	25.7
95.08613	44.6
97.10172	6.1
105.07000	1.9
107.08599	32.4
109.10165	20.1
111.11735	2.0
119.08603	1.1
121.10149	42.2
123.11723	5.1
132.81892	0.6
133.10172	0.9
135.11705	33.6
147.11748	1.0
149.13287	8.0
163.14806	1.8
169.27081	0.8
186.77563	0.8
191.17957	100.0
192.18327	1.0
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
53.03950	1.3
55.05304	0.8
55.05513	9.2
56.15849	0.7
57.07061	2.6
63.02432	0.7
63.37739	0.7
65.77038	0.8
67.05514	8.2
69.07069	22.3
69.48640	6.1
70.28264	0.7
79.05501	4.7
81.07061	9.6
83.08629	8.8
91.05466	3.1
93.07053	28.4
95.08611	51.3
97.10178	4.1
98.21475	1.7
105.07019	3.3
107.08603	33.2
107.89938	0.8
109.10160	21.6
111.11744	0.9
119.08577	1.5
121.10150	53.8
123.08025	1.3
123.11721	5.0
133.10077	1.2
135.11700	41.3
149.13252	9.0
163.14801	1.7
191.14331	3.2
191.17957	100.0
208.78947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.88095	1.7
53.03946	1.8
55.05503	10.4
57.07082	2.6
65.39319	1.7
67.05515	10.2
69.03432	4.0
69.07072	25.7
69.72952	10.2
69.73371	3.0
74.09711	1.9
79.05487	11.5
81.07066	13.1
83.04984	1.9
83.08618	9.9
91.05471	5.3
93.07049	37.7
95.04964	3.2
95.06201	1.7
95.08613	60.6
96.63864	1.5
97.10184	5.1
98.20838	2.9
98.21392	2.7
105.07036	7.2
107.05000	1.7
107.08598	46.0
109.06506	1.8
109.10157	28.8
111.11717	2.2
119.08585	3.1
121.06534	2.4
121.10152	59.0
121.11040	3.3
123.11710	6.6
131.08594	6.4
133.10138	20.1
135.08020	5.1
135.11708	43.3
137.09598	4.4
145.10109	4.0
147.11681	2.7
149.08252	9.0
149.13303	13.8
158.94986	1.8
160.05011	2.9
173.13278	7.4
191.10703	5.1
191.14381	15.3
191.17957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03934	2.0
55.01875	2.0
55.05264	0.9
55.05513	11.7
56.55908	0.9
56.96561	1.1
57.03446	1.1
57.07076	5.0
59.42901	1.0
65.03937	3.0
67.05174	1.0
67.05512	16.5
69.03435	8.7
69.07075	36.1
71.04997	6.5
71.29949	1.6
79.05501	13.6
81.07061	16.3
83.04988	6.2
83.08631	11.4
84.35841	0.9
85.06529	1.9
86.88239	1.0
91.05485	21.4
93.03441	1.2
93.07053	40.6
95.04995	7.0
95.08615	49.7
95.52319	0.9
97.06502	1.5
97.10159	5.3
98.97604	2.1
103.05480	1.7
103.15180	0.9
105.07039	17.6
107.04968	4.9
107.08604	58.1
109.06536	7.1
109.10170	57.7
111.08075	1.3
115.05402	1.2
117.07021	3.0
119.04969	1.6
119.08591	7.4
121.02873	9.4
121.06538	11.1
121.10155	60.1
122.10423	1.2
122.68298	0.9
123.08093	12.8
123.11716	8.2
129.07001	1.5
130.07773	1.6
131.08568	14.7
133.10147	35.4
134.10580	0.9
135.04442	6.7
135.08066	15.3
135.11703	60.7
137.09633	5.3
143.08536	2.9
145.02896	1.2
145.10141	10.8
147.11708	8.9
148.12401	1.6
149.02359	7.9
149.09621	6.1
149.13275	30.0
158.10941	4.7
161.09575	2.3
163.03889	5.8
163.11205	2.1
163.14827	3.5
167.03445	1.4
173.02344	1.8
173.09677	1.6
173.13275	17.8
176.11951	1.3
191.03400	2.3
191.07031	3.7
191.10710	6.9
191.14334	57.3
191.17969	100.0
192.18202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.36293	1.3
53.00301	3.1
53.03936	3.0
55.01865	2.5
55.05519	9.6
55.52808	1.2
56.96567	2.4
57.07060	3.2
65.03947	16.5
67.05508	10.3
69.03452	6.7
69.06740	1.5
69.07076	22.8
71.04989	1.6
71.58377	1.8
77.03916	1.5
79.05502	24.4
81.07055	12.4
83.04967	5.4
83.08635	8.4
85.06546	2.5
89.03925	3.8
91.05489	37.9
93.03410	21.0
93.06470	2.0
93.07050	30.9
95.01338	9.7
95.04974	6.7
95.08612	41.4
97.06507	2.1
97.10165	3.7
103.05450	5.4
103.06076	1.1
105.07037	14.0
107.04966	16.1
107.07876	2.1
107.08602	42.8
109.06523	4.5
109.10159	24.6
115.05387	1.2
117.03397	1.9
117.07029	3.7
118.04224	2.0
119.04934	5.8
119.08579	10.1
120.34779	1.4
121.02874	73.4
121.06493	7.5
121.10151	48.1
123.00789	4.8
123.08062	4.3
123.11677	6.6
123.95956	2.0
129.07025	1.6
131.04918	5.3
131.08577	12.7
132.05692	1.4
132.96432	3.0
133.02844	1.2
133.10153	14.5
135.04427	34.9
135.08051	10.3
135.11696	29.7
141.01755	1.4
141.96979	3.6
143.08536	2.9
144.47253	2.6
145.02873	5.0
145.06528	1.2
145.10162	7.7
147.00732	2.6
147.11679	9.6
148.05186	3.1
148.12546	1.6
149.02348	100.0
149.05978	2.0
149.09616	5.1
149.13263	14.5
153.47722	1.7
155.06047	1.2
158.10912	4.3
159.04427	1.6
160.05168	2.5
161.09616	2.1
163.03914	28.8
163.07549	11.1
163.14844	2.3
167.03401	19.4
173.02318	2.5
173.05978	1.8
173.13275	17.1
176.04686	2.3
191.03412	18.3
191.07011	19.2
191.08600	2.5
191.10634	9.6
191.14323	52.2
191.17958	71.0
192.10196	1.3
209.04686	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.68232	2.5
52.68854	2.8
55.05514	16.1
56.96554	15.1
57.07049	4.9
58.64373	2.7
61.26162	3.4
65.03889	2.7
67.05503	15.2
69.03414	13.3
69.07069	33.1
71.04984	3.9
71.58431	4.1
78.57563	3.4
79.05502	24.7
81.07071	24.8
83.04973	10.0
83.08601	11.2
85.06523	3.3
91.05489	29.6
93.07055	40.4
95.04971	5.1
95.08613	59.9
97.05182	2.8
97.06535	6.3
97.10175	7.7
98.97578	3.1
103.05466	9.3
105.07035	22.0
107.04938	6.3
107.08600	69.2
109.06520	7.5
109.10152	26.8
109.80529	3.1
117.07014	11.0
119.08565	13.2
121.02909	7.3
121.06515	11.2
121.10156	69.2
123.08051	4.9
123.11696	10.4
123.95928	9.0
131.04951	6.5
131.08586	27.6
132.96437	9.9
133.10123	28.2
135.04420	9.6
135.08067	22.3
135.11697	38.9
141.96982	8.6
143.08559	6.0
144.47253	11.9
145.10124	22.6
147.04485	5.0
147.07483	6.0
147.11671	13.4
148.05212	5.5
149.01207	4.9
149.02345	7.3
149.09615	13.6
149.13249	16.0
153.47746	9.0
158.10910	5.9
158.58307	4.2
163.03920	10.2
163.07555	11.0
163.11166	3.3
163.14862	4.8
173.09625	8.5
173.13290	31.4
176.04718	3.8
176.11948	3.9
180.02361	3.0
191.03384	8.2
191.07002	28.2
191.08424	3.4
191.10681	23.1
191.14308	100.0
191.17950	97.1
191.19269	2.8
199.87537	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	Scopoletin
Peak:m/z	Relative Intensity
51.02387	0.8
53.00315	0.7
53.03949	6.1
55.01876	0.8
58.14742	0.3
59.04974	0.3
65.03944	2.5
66.85157	0.3
67.05509	11.4
69.03440	0.3
69.59767	0.6
69.60175	1.2
71.01357	1.0
71.62101	0.3
77.03930	2.3
77.07166	0.3
77.80260	0.3
79.05496	3.6
81.03416	0.9
81.07059	1.3
91.05482	11.0
93.07040	1.0
95.04975	100.0
96.05314	0.7
97.02898	0.4
98.21514	0.3
103.05479	1.2
104.75559	0.4
105.03411	2.0
105.04513	3.0
105.07021	1.0
107.04975	1.6
109.02884	0.7
109.06566	0.6
119.04097	0.6
119.04950	11.3
121.02866	0.6
121.06519	0.6
121.10835	0.3
123.04436	29.8
125.02273	0.3
133.02850	1.1
133.06505	0.9
133.10133	0.8
137.06027	0.7
147.04416	14.6
149.02420	0.3
149.05978	0.4
151.03912	62.6
154.21278	0.3
161.05978	0.7
163.26775	0.4
165.05510	1.2
167.93587	0.3
175.03926	7.4
193.04987	4.1
193.08611	0.6
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
53.03945	1.9
55.01870	3.2
64.58824	0.6
65.03967	0.9
67.05491	1.2
69.03416	0.9
69.23309	5.8
77.03899	0.6
78.87684	0.6
79.05499	9.5
83.04982	0.9
91.05492	4.5
95.04974	8.0
103.05469	11.5
105.07036	84.8
107.04956	0.8
109.06575	0.8
111.04470	0.6
115.05456	18.8
118.04161	9.7
119.04957	1.2
123.04472	1.4
131.04883	3.7
132.05739	0.9
133.02872	1.6
133.06499	78.4
134.06856	0.7
143.04945	1.5
143.06061	6.5
144.13094	0.6
147.04428	1.4
149.06079	0.6
151.03926	5.5
161.05984	100.0
162.06361	0.7
165.05498	0.9
172.38943	0.6
193.04950	3.9
193.08640	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03939	3.1
55.01874	1.1
55.05505	3.8
57.07072	2.8
65.03932	2.0
67.05515	14.1
69.07067	8.2
79.05504	5.0
81.07058	6.9
83.08617	3.1
85.06548	1.7
91.05492	9.4
92.89769	0.9
93.07053	7.2
95.04974	53.9
95.08615	19.6
95.17366	0.9
103.05470	4.1
105.03397	1.1
105.04482	1.3
105.07040	32.8
107.04990	1.2
107.08587	7.6
109.06500	1.6
109.10159	19.8
110.51701	0.8
110.67970	1.0
115.05470	4.7
117.07001	1.2
118.04145	2.7
119.04926	2.3
119.08588	50.4
121.10152	3.8
123.04433	12.2
123.08083	3.3
123.11705	1.6
131.04912	1.8
131.08524	1.4
133.02786	1.5
133.06502	20.6
133.10138	57.4
134.10782	1.3
135.11713	15.4
137.09630	9.1
143.06046	1.6
145.10117	4.4
146.11002	1.3
147.04398	1.8
147.11707	15.5
149.13264	6.0
150.01535	0.9
151.02727	1.7
151.03909	27.3
151.14803	5.0
156.28738	0.8
160.12503	2.7
161.05995	24.5
165.05487	1.4
175.03809	0.9
175.07581	1.3
175.14838	100.0
176.15242	1.6
178.02675	1.0
193.04979	3.7
193.08643	10.9
193.15895	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02372	0.9
53.03948	4.2
55.01871	3.2
55.05505	2.7
57.07072	2.2
65.03940	2.2
67.05508	13.6
69.07071	4.4
69.07407	0.9
71.12439	1.4
77.03929	2.5
79.05494	11.4
79.62321	0.6
80.31528	0.6
81.07063	5.1
83.08622	1.2
85.06542	1.1
90.04706	1.6
91.05486	10.6
93.07039	4.8
95.04972	59.2
95.08604	12.1
96.39063	0.6
103.05471	12.3
104.06287	0.9
105.03426	1.2
105.07034	92.4
107.04953	1.4
107.08607	4.2
109.06523	1.8
109.10159	11.1
115.05466	18.5
115.21577	0.7
117.07086	0.7
118.04167	9.0
119.04932	1.7
119.08586	30.5
119.59976	0.8
121.10152	1.7
123.00774	0.9
123.04430	18.2
123.08083	1.1
123.11686	1.5
129.07025	0.7
131.04935	2.6
131.08595	1.5
132.05707	2.2
133.06499	73.8
133.10136	35.3
134.06824	0.9
135.11685	8.2
137.05954	1.1
137.09619	4.2
143.04927	1.9
143.06053	6.8
145.10146	1.9
147.04404	4.0
147.08118	0.8
147.11691	8.5
149.02365	1.3
149.06053	1.1
149.13263	3.0
151.03909	38.2
151.14833	3.3
160.12482	1.8
161.05984	100.0
162.06448	1.1
165.05470	1.3
175.03917	1.6
175.07579	1.2
175.14830	54.2
178.02721	1.0
193.04971	4.5
193.08624	22.3
193.15887	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	193.159
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03948	1.3
55.01864	2.1
55.05525	4.2
57.07079	4.3
65.03934	1.4
66.04698	0.8
67.05510	9.6
69.07071	9.0
69.45504	5.1
69.86308	0.6
77.03922	1.3
79.05061	0.8
79.05499	10.8
81.07063	9.3
81.70610	0.7
83.04990	1.2
83.08606	2.5
85.06525	1.5
90.04710	1.0
91.04929	0.5
91.05482	11.7
93.07041	8.0
95.04979	8.4
95.08612	26.7
98.21569	1.3
103.05478	10.6
104.06272	1.1
105.07038	75.2
107.08601	9.1
109.06525	2.3
109.10165	26.7
111.08082	0.9
115.05463	14.5
117.07011	2.0
118.04175	5.9
119.04953	0.9
119.08588	59.0
121.10157	4.5
123.04424	1.9
123.08058	2.8
123.11707	1.8
131.04941	1.6
131.08591	2.4
132.05728	1.9
133.02843	0.9
133.06505	54.6
133.10138	67.6
135.10706	1.7
135.11696	17.3
137.06004	0.9
137.09630	10.6
143.04994	1.5
143.06058	4.9
145.10136	5.5
147.04405	1.4
147.11699	17.7
149.02336	0.8
149.06056	1.2
149.13255	6.3
151.03903	4.1
151.11115	0.9
151.14861	6.9
158.84933	0.7
159.11732	0.8
160.12552	2.3
161.05994	72.0
162.06425	0.7
173.13281	1.8
175.03963	1.3
175.07562	0.9
175.14839	100.0
176.15190	1.2
178.02516	0.7
193.04956	5.8
193.06747	1.3
193.08623	15.3
193.12277	0.9
193.15904	19.5
196.45229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03937	2.4
55.01868	2.0
55.05507	24.1
57.07067	5.1
58.87747	1.7
59.04981	3.2
67.05508	23.1
69.03431	12.7
69.04648	1.6
69.07072	19.3
71.04999	4.9
71.31505	2.7
79.05483	11.3
81.07063	31.4
83.04990	28.7
83.08616	12.7
85.06540	4.9
91.05484	13.3
93.07049	21.8
95.04984	16.4
95.08610	58.2
96.49863	1.7
97.06511	3.7
97.10159	2.0
103.05462	5.0
105.06401	3.0
105.07038	45.3
107.08599	50.7
109.06521	21.7
109.10158	84.6
110.10446	2.8
111.08082	8.8
112.74841	1.9
115.05451	4.9
117.06971	1.9
119.08582	65.7
121.10144	31.6
123.08076	46.6
123.11712	12.3
128.06224	1.9
131.04945	2.7
131.08530	1.9
133.06500	25.2
133.10135	49.8
135.11696	99.9
137.09619	31.7
138.10361	4.2
143.05974	3.0
147.04439	2.1
147.08070	1.8
147.11671	8.1
149.13266	16.2
151.03897	5.5
151.11198	13.3
151.14827	11.4
161.05978	27.3
165.16393	4.4
175.07593	3.0
175.14827	59.8
176.15166	1.6
193.05002	5.4
193.08630	10.3
193.15887	100.0
194.16335	2.1
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	gamma-Ionone
Peak:m/z	Relative Intensity
51.02365	0.7
52.73579	0.5
53.00302	0.6
53.03937	4.7
55.01866	1.6
55.05506	2.1
57.07067	1.7
59.05002	0.5
65.03938	2.3
67.05505	15.9
68.80334	0.4
69.03416	0.5
69.07063	4.6
71.01351	1.6
71.06071	0.7
77.03925	2.4
79.05495	4.2
81.03421	0.8
81.07055	4.3
83.08611	1.0
84.40663	0.4
91.04965	0.9
91.05487	10.8
93.07045	3.7
95.04970	100.0
95.08607	11.1
96.05329	1.0
103.05464	3.4
104.05598	0.4
105.03394	1.8
105.04528	2.7
105.07034	20.5
106.78918	0.4
107.04908	0.5
107.08597	3.3
109.06548	1.3
109.10162	12.0
115.05472	2.7
117.06970	0.7
118.04128	2.2
119.04947	6.9
119.08582	27.9
121.10147	2.8
123.04431	30.5
123.08100	1.4
123.11707	0.6
129.07025	0.6
131.04887	0.9
131.08575	0.7
133.02872	1.4
133.05496	0.6
133.06496	12.1
133.07433	1.0
133.10133	32.0
133.22876	0.5
134.10966	0.7
135.11697	7.4
137.06073	0.5
137.09615	4.5
143.06020	1.1
145.10146	1.8
147.04405	11.0
147.11694	7.6
149.02350	0.7
149.05933	0.6
149.13287	2.8
151.03903	38.0
151.14793	2.4
160.12538	1.4
161.04642	0.7
161.05980	14.5
161.07236	1.0
165.05458	1.0
173.13255	0.6
175.03928	5.9
175.07565	1.4
175.14828	49.1
176.15175	0.6
178.02550	0.5
193.04976	4.0
193.08620	9.4
193.15877	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	193.159
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.71101	0.6
53.03944	1.2
55.01857	0.8
55.05513	3.6
57.07090	3.0
59.04982	1.1
67.05508	7.9
69.07072	8.7
69.19042	0.6
69.37588	5.1
69.37912	1.2
79.05507	3.3
81.03419	0.9
81.07060	6.7
83.04997	0.8
83.08617	2.0
83.31582	0.5
85.06545	1.2
91.05482	8.8
93.07041	6.2
95.04987	5.3
95.08614	25.0
98.20661	1.1
100.54761	0.7
103.05492	3.2
104.06261	1.0
105.07038	31.5
107.08606	9.1
109.06511	2.5
109.10163	21.2
115.05491	4.5
117.07014	2.1
118.04180	2.0
119.05014	0.9
119.08591	54.8
121.10149	4.8
123.04426	2.0
123.08081	2.2
123.11725	1.0
129.07002	1.0
131.08569	1.5
133.02847	1.3
133.05498	0.6
133.06503	16.5
133.10139	64.7
134.10864	0.8
135.11703	14.4
137.09628	8.6
143.06004	1.1
145.10124	4.5
147.04343	0.9
147.11691	15.5
147.12798	1.2
149.13295	4.3
151.03946	1.6
151.14825	4.7
159.11797	0.8
160.12503	3.3
161.05998	23.3
165.09312	0.6
173.13274	1.5
175.07584	2.8
175.14838	100.0
176.15175	1.1
178.02608	1.0
193.04968	4.5
193.08615	13.8
193.15907	18.2
194.50056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03950	0.9
55.05511	8.0
57.07076	2.5
57.89835	0.8
59.05012	1.2
64.63509	1.0
67.05505	6.8
69.03436	5.2
69.06782	1.0
69.07079	11.8
69.91183	4.2
78.32977	0.9
79.05516	4.5
81.07057	10.1
83.04993	7.8
83.08631	5.1
85.06535	1.5
85.67754	0.9
91.05477	4.2
93.07050	5.5
95.05000	6.0
95.08613	15.0
97.06559	1.7
97.10176	1.9
98.20580	0.9
105.07043	8.0
105.95843	1.0
107.05003	1.1
107.08595	7.2
109.06525	24.7
109.10167	23.0
111.08084	2.1
119.08599	6.7
121.10148	6.3
123.08086	9.4
123.11716	3.6
125.09691	1.2
133.06483	2.5
133.10138	13.4
135.08067	1.6
135.11723	13.0
137.09621	10.7
138.10378	1.0
147.04414	1.5
147.08052	1.0
147.11650	2.3
149.09631	1.2
149.13251	1.6
150.03192	1.7
151.03912	2.2
151.11197	24.9
151.14789	7.6
161.05989	2.3
164.26605	0.9
175.07516	0.9
175.14848	8.0
178.02579	1.5
193.05022	5.2
193.15903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03930	4.0
55.01859	6.0
55.05520	18.2
57.07064	6.7
59.04985	2.7
62.70259	2.0
65.03977	2.3
67.05511	30.9
69.03441	11.3
69.07069	22.6
69.38030	17.8
69.65815	1.8
71.04976	2.5
79.05497	17.0
81.03394	2.4
81.07069	35.9
83.04991	28.3
83.08636	9.6
85.06566	2.8
91.05481	20.4
93.07064	23.3
95.04968	13.5
95.08614	66.9
97.10150	2.5
99.08060	3.3
103.05482	12.3
105.07037	100.0
107.08598	46.4
109.06527	14.4
109.10166	84.4
111.08098	10.0
111.16531	2.2
115.05450	18.3
117.06974	3.0
118.04171	6.6
119.08592	84.4
120.09363	3.5
121.10152	28.5
123.04510	2.2
123.08081	38.9
123.11713	13.1
124.08665	2.3
129.06999	4.1
131.04857	2.8
131.08575	2.9
133.02867	2.4
133.06512	64.8
133.09128	2.9
133.10143	74.1
135.11708	88.9
137.09631	32.6
143.06041	6.5
143.48871	2.8
145.10133	2.8
147.04443	3.6
147.08023	3.9
147.11676	13.8
149.13284	21.9
151.03917	5.8
151.11180	9.3
151.14815	14.0
160.12401	2.2
161.05989	84.1
165.12846	2.3
165.16385	4.0
175.07541	11.9
175.14838	100.0
178.02655	3.3
193.05016	15.8
193.06967	2.7
193.08635	24.9
193.15894	91.5
194.16148	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.10136	1.6
55.05513	9.5
55.66086	1.4
59.05017	1.7
67.05510	8.3
69.07076	27.0
70.38547	1.2
70.81350	3.5
70.81688	1.3
71.04707	1.2
71.05000	14.4
77.93163	1.4
79.05495	4.9
81.07063	18.9
83.08620	2.8
85.06549	10.1
91.05477	3.7
93.07055	23.4
95.04977	28.3
95.08609	22.6
97.06532	1.7
97.10178	9.7
99.08104	6.4
105.07037	10.5
107.08604	27.5
109.06525	100.0
109.10170	17.3
111.08073	5.5
111.11715	3.9
119.08589	28.0
121.10158	8.4
123.08060	6.5
123.11725	22.9
133.10153	24.5
133.47617	1.5
135.11707	34.5
137.09644	16.8
147.11717	3.0
149.13287	12.2
151.11166	4.6
151.14839	1.5
175.14835	46.8
193.15897	79.2
197.27698	1.4
207.86273	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03954	1.1
55.01876	1.3
55.05510	3.9
56.96579	0.8
57.07076	3.1
57.97522	0.5
58.44268	0.5
59.05021	1.0
62.44551	0.5
64.96283	0.5
65.03942	0.9
66.28971	0.5
66.92045	0.6
67.05508	8.5
69.03460	0.7
69.07077	8.9
71.54800	0.9
76.60923	0.5
79.05499	5.3
80.52839	0.5
81.07062	7.1
83.04990	0.9
83.08641	2.0
85.06567	1.6
89.57252	0.5
91.05479	8.8
93.07045	6.4
95.04976	10.8
95.05553	0.7
95.08612	23.7
95.67052	0.6
103.05474	5.0
105.07037	40.7
107.08595	8.5
109.06553	1.4
109.10165	22.3
111.04440	0.6
115.05461	6.4
117.07030	1.7
118.04172	3.3
119.04964	1.2
119.08588	54.4
121.10164	4.6
122.03663	0.7
123.04446	2.1
123.08090	2.1
123.11728	1.9
131.04964	1.0
131.08597	1.8
133.02864	5.3
133.06502	22.9
133.10139	62.4
134.10904	1.6
135.11696	14.4
137.05997	2.3
137.09621	8.7
143.06081	1.5
145.10156	3.6
147.04417	0.9
147.11696	16.2
149.02357	1.1
149.05974	0.6
149.13268	4.4
151.03906	5.5
151.11095	0.6
151.14832	6.1
159.11697	1.0
160.05260	0.6
160.12529	3.0
161.05989	33.3
165.05499	1.0
173.13258	1.5
175.03918	0.7
175.07611	1.1
175.14835	100.0
176.15155	1.6
178.02652	2.5
193.04982	15.2
193.08606	7.8
193.12198	0.6
193.15891	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	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01868	2.0
55.05507	24.1
57.07067	5.1
58.87747	1.7
59.04981	3.2
67.05508	23.1
69.03431	12.7
69.04648	1.6
69.07072	19.3
71.04999	4.9
71.31505	2.7
79.05483	11.3
81.07063	31.4
83.04990	28.7
83.08616	12.7
85.06540	4.9
91.05484	13.3
93.07049	21.8
95.04984	16.4
95.08610	58.2
96.49863	1.7
97.06511	3.7
97.10159	2.0
103.05462	5.0
105.06401	3.0
105.07038	45.3
107.08599	50.7
109.06521	21.7
109.10158	84.6
110.10446	2.8
111.08082	8.8
112.74841	1.9
115.05451	4.9
117.06971	1.9
119.08582	65.7
121.10144	31.6
123.08076	46.6
123.11712	12.3
128.06224	1.9
131.04945	2.7
131.08530	1.9
133.06500	25.2
133.10135	49.8
135.11696	99.9
137.09619	31.7
138.10361	4.2
143.05974	3.0
147.04439	2.1
147.08070	1.8
147.11671	8.1
149.13266	16.2
151.03897	5.5
151.11198	13.3
151.14827	11.4
161.05978	27.3
165.16393	4.4
175.07593	3.0
175.14827	59.8
176.15166	1.6
193.05002	5.4
193.08630	10.3
193.15887	100.0
194.16335	2.1
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	gamma-Ionone
Peak:m/z	Relative Intensity
52.12099	0.5
52.77902	0.4
52.81691	0.4
53.29066	0.5
55.05524	2.2
57.07066	1.4
63.53839	0.5
67.05501	1.7
69.07066	4.0
70.81822	1.1
71.04991	4.1
77.03912	0.6
79.05508	2.5
80.85371	0.5
81.07062	6.2
85.06552	1.3
91.05478	3.8
93.07049	11.3
93.83724	0.4
95.04951	1.1
95.08605	9.7
99.08083	1.8
105.07037	9.0
107.08596	22.3
109.06508	0.8
109.10159	13.9
113.09681	0.7
117.07028	0.7
119.06023	0.6
119.08587	19.1
121.10146	2.0
123.08076	1.2
123.11702	5.3
129.49750	0.4
131.08565	1.2
133.10136	100.0
134.10443	0.7
135.11697	52.0
136.12039	0.5
137.09613	1.4
145.10184	0.9
147.11688	3.4
169.24487	0.5
169.89955	0.5
173.13313	0.7
175.14836	45.0
191.14140	0.5
193.15912	13.4
213.64204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90403	0.7
53.03940	1.1
55.01865	1.3
55.05515	4.2
57.07064	3.1
65.03931	0.9
67.05506	9.5
69.07069	7.6
69.35687	3.3
69.36118	3.5
79.05509	4.4
81.03413	0.9
81.07057	7.5
83.04984	0.9
83.08617	2.5
85.06545	2.2
88.35124	0.7
91.05502	7.2
93.07043	8.0
95.04969	7.2
95.07990	1.1
95.08607	20.9
103.05479	3.6
105.07038	31.9
107.08598	6.9
109.06532	1.8
109.10162	21.3
115.05438	4.5
117.07011	1.7
118.04140	2.2
119.04880	1.0
119.08585	53.4
119.48225	0.7
121.10188	4.1
123.04456	1.9
123.08058	2.5
123.11705	1.6
129.07016	2.4
131.04903	1.6
131.08597	2.2
133.06516	17.5
133.10133	63.8
134.10912	1.3
135.11702	13.3
137.05959	1.2
137.09602	9.8
143.05994	1.0
145.10159	4.5
147.04460	1.7
147.11694	16.1
149.13264	5.7
151.03900	3.2
151.07529	0.9
151.14812	4.8
159.11752	1.1
160.12509	3.3
161.06001	24.5
165.05577	0.9
173.13252	1.1
175.07526	3.2
175.14835	100.0
176.15210	1.4
178.02544	0.8
193.04982	4.1
193.08606	14.0
193.15904	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.04765	1.3
53.03939	3.1
53.92513	1.2
55.05510	12.2
57.03429	2.4
57.07071	2.5
59.04992	2.3
63.93114	1.2
67.05213	1.5
67.05507	14.4
67.88125	1.2
68.01131	1.2
69.03407	1.5
69.07074	14.9
71.04977	3.3
71.49353	1.7
79.05484	6.6
81.07062	17.3
83.04980	6.9
83.08628	9.9
85.06549	3.9
91.05473	7.9
93.07047	18.5
95.04974	21.2
95.08051	2.2
95.08614	29.8
97.06532	7.0
99.08039	1.5
105.07037	22.0
107.08593	26.0
109.06533	11.9
109.09451	2.4
109.10162	29.3
110.23103	1.4
111.08089	9.8
115.05459	1.7
119.08588	47.8
121.10157	21.7
123.04425	4.2
123.08084	23.9
123.11729	7.6
125.09649	2.7
133.06483	2.9
133.10141	37.5
135.11702	38.9
137.09621	39.2
137.13206	3.5
138.10394	5.3
147.11678	10.8
149.13287	13.9
151.03918	5.8
151.11179	4.1
151.14815	4.0
161.05931	3.3
165.12747	15.5
165.16412	1.4
175.14836	53.8
193.04979	6.0
193.08606	2.2
193.15894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.24605	0.6
55.05519	2.2
57.07076	0.9
57.76019	0.6
62.53518	0.6
67.05526	2.7
69.07076	3.3
69.81218	1.1
69.81640	2.2
71.05003	4.7
79.05517	2.8
81.07069	7.3
83.08620	0.6
85.06550	1.3
90.21194	0.7
91.05502	5.7
93.07055	12.0
95.04971	4.6
95.08626	9.0
97.06535	0.6
98.20861	0.8
99.08082	1.6
100.53342	0.6
105.07044	8.5
107.06181	0.6
107.07866	1.3
107.08605	25.2
109.06509	1.6
109.10165	14.8
113.09676	0.7
117.07005	0.8
119.06123	0.6
119.08590	20.9
121.10152	2.6
123.04444	1.4
123.08089	1.2
123.11730	5.9
131.08511	0.8
133.10144	100.0
134.10480	1.1
135.11708	54.8
137.09656	1.7
145.10178	0.6
147.11719	4.2
149.13272	0.9
151.03938	1.9
160.12552	1.0
161.05988	1.8
175.14848	48.4
176.15187	0.6
193.04959	2.7
193.12178	1.0
193.15906	16.8
193.17674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.57091	0.5
53.03957	0.8
55.05511	0.6
56.05053	0.5
65.03950	0.6
65.98600	0.5
67.05515	1.2
67.98950	0.4
69.04567	2.7
69.77187	0.4
71.24824	1.0
73.88164	0.4
75.04489	4.0
77.03918	0.5
78.04710	0.6
79.05504	1.8
81.03414	0.6
81.07067	2.1
83.06103	2.7
89.03923	14.4
91.05475	1.8
93.07040	1.3
95.04971	0.8
95.08620	0.8
99.42805	0.4
100.95651	0.5
103.05491	0.9
106.04189	1.2
107.04981	2.4
107.08627	0.8
109.04013	0.6
110.07177	10.8
111.04480	1.7
111.05590	0.6
117.03387	28.4
119.92596	0.5
121.06557	0.8
122.07195	0.5
123.04307	0.7
127.51244	0.5
133.02907	2.2
133.98616	0.4
134.03647	4.7
134.34711	0.4
135.04430	5.0
135.11694	1.1
138.06636	57.1
145.02856	54.0
149.05991	13.7
153.05521	0.7
162.03162	1.2
163.03923	22.7
177.05482	72.2
178.05824	0.8
180.06464	0.4
186.05484	1.3
195.08784	100.0
196.09154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03947	0.5
55.01875	1.8
61.27523	0.4
63.02371	0.7
65.03953	0.4
67.05513	0.5
69.04561	1.2
79.05505	1.6
81.07034	0.8
83.06103	1.5
89.03925	16.9
90.42571	0.4
91.04728	0.3
91.04980	0.3
91.05478	2.3
93.07046	1.1
95.04971	0.5
95.08636	1.0
97.06533	6.3
103.05464	1.2
106.04175	1.5
107.04942	2.4
109.10095	0.6
110.07165	6.8
117.03384	38.6
121.06522	1.2
123.04290	0.5
125.05984	0.6
134.03612	5.1
135.04431	4.2
138.05531	0.9
138.06628	31.7
145.02850	75.6
149.05981	17.2
153.05414	0.9
162.03162	1.4
163.03923	7.5
167.07030	0.5
177.05475	100.0
177.16525	0.4
178.05786	0.7
182.74332	0.4
186.05490	1.4
195.08778	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	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03957	0.6
56.05035	0.8
59.20338	0.3
61.72036	0.3
63.02395	0.3
69.04556	3.3
69.07085	0.8
69.26087	0.6
69.26489	3.3
74.92462	0.3
78.04705	0.5
79.05502	1.7
81.07085	1.0
83.06107	3.5
89.03922	12.3
91.05492	1.6
93.03399	0.6
93.07064	0.8
93.82710	0.4
95.04943	0.9
95.08614	0.7
103.05481	1.8
105.07034	1.2
106.04194	1.1
107.04966	7.1
107.08617	0.7
109.03996	0.8
110.07177	10.8
111.05563	0.7
115.05473	0.3
117.03391	26.4
117.07044	0.3
119.04915	0.3
121.06502	1.0
121.10180	0.5
123.04324	1.0
133.06609	0.4
134.03650	3.9
135.04453	3.6
135.08089	1.4
135.11688	0.6
138.06638	55.2
139.06985	0.5
145.02859	49.0
146.03174	0.5
149.05992	12.1
153.05466	0.9
154.06277	1.2
158.06070	0.3
162.03140	0.9
163.03926	6.8
163.07581	2.4
166.52924	0.4
167.07098	0.8
177.05486	69.4
177.16437	0.8
178.05815	0.7
186.05502	1.7
187.70222	0.4
195.08789	100.0
196.08965	0.7
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
53.03954	0.3
55.91436	0.3
56.05043	0.4
59.35542	0.3
65.03929	0.3
66.91434	0.4
67.05503	0.4
69.04568	2.7
70.88644	0.7
78.04733	0.8
79.05495	1.2
81.07037	0.5
83.06111	2.4
84.00370	0.3
89.03924	13.6
91.05482	1.4
93.03418	0.7
93.07038	0.6
95.05006	0.7
95.08626	0.8
103.05474	0.7
105.07034	0.9
106.04194	1.0
107.04963	2.6
107.07736	0.3
107.08598	0.5
109.04008	1.0
110.07169	9.5
111.04448	0.3
111.05656	0.4
116.40261	0.3
117.03390	26.4
121.06510	0.8
123.04326	1.3
124.05187	0.5
125.05987	0.8
125.09682	0.4
133.02879	0.8
133.06485	0.3
134.03622	3.8
135.04411	3.2
135.08105	0.4
137.05911	0.4
138.06635	54.5
145.02856	49.9
146.03186	0.7
149.05998	13.0
149.09534	0.4
153.05455	1.4
161.05959	0.3
162.03122	1.1
163.03917	6.0
165.05481	0.5
177.05482	67.5
177.16591	0.4
178.05869	0.9
186.05527	1.4
195.08784	100.0
196.09119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.94334	0.4
54.80737	0.4
56.05041	0.4
63.02391	0.4
65.03944	0.4
65.82128	0.3
69.04562	1.0
71.07310	0.7
74.62649	0.3
77.03931	0.3
78.04710	0.6
78.88894	0.3
79.05502	1.3
81.03413	0.5
81.07082	0.9
83.06107	1.2
89.03924	17.5
91.05460	2.2
93.03397	0.4
93.07060	1.5
94.32219	0.3
95.04980	0.9
98.21075	0.4
98.97596	1.4
103.05482	1.0
104.13728	0.4
106.04174	1.3
107.04952	0.6
107.08604	0.7
109.06513	0.4
110.07184	3.8
117.03388	40.8
119.04915	0.4
121.06512	0.9
134.03642	5.8
135.04422	3.7
135.08035	0.4
138.05064	0.5
138.06635	23.5
145.02856	73.4
149.05994	18.5
149.09674	0.4
153.05464	0.8
158.99776	0.5
162.03102	1.9
163.03922	7.3
177.05484	100.0
178.05879	0.5
186.05463	0.8
195.08791	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	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03951	1.5
55.01876	1.4
55.05528	0.6
56.05045	0.6
63.08996	0.4
67.05515	0.7
69.03457	0.4
69.04555	3.2
69.07069	0.5
71.01354	0.5
71.02876	0.7
71.03209	0.6
71.05006	0.6
77.03942	0.9
78.04718	0.5
79.05501	3.5
81.03442	0.7
81.07068	1.4
83.05007	0.4
83.06113	2.4
89.03924	10.2
91.05482	5.8
93.07047	4.3
95.01318	0.5
95.04976	2.1
95.08616	1.0
97.06539	3.7
98.30349	0.5
103.05459	4.2
105.04542	0.7
105.07059	1.7
106.04153	1.2
107.04958	7.2
107.08599	1.5
109.04016	1.0
109.06536	2.2
110.07171	9.6
111.05584	0.8
115.05507	0.8
117.03384	23.1
119.04958	0.5
121.06497	7.2
121.10116	0.8
123.04334	1.2
123.08057	0.4
125.06018	1.9
131.04927	1.6
133.06509	0.8
134.03658	3.4
134.24988	0.4
135.04420	4.4
135.08089	2.1
135.11716	0.6
137.06032	1.0
137.09627	5.3
138.06628	61.0
139.07539	0.5
145.02852	45.3
147.04410	0.7
149.05986	31.3
153.05498	4.1
159.04378	0.4
159.11682	0.5
162.03134	1.2
163.03909	6.5
163.07521	2.2
167.07050	3.5
177.05475	77.7
177.12692	1.1
178.05801	0.7
180.07811	1.0
186.05489	0.9
195.08768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03954	0.5
55.01887	0.6
63.02359	0.5
69.04560	1.4
70.62551	1.0
70.62883	0.8
78.04709	0.8
79.05493	1.1
83.06100	1.0
89.03925	17.2
91.05492	2.6
93.07045	1.5
95.04942	0.6
95.08611	0.5
103.05473	1.8
106.04185	1.6
107.04961	2.0
109.06535	0.4
110.07167	6.3
111.04442	0.9
111.05558	0.4
117.03388	39.2
121.06519	2.1
123.04343	1.0
124.00620	0.5
125.06013	0.7
134.03656	5.6
135.04445	4.4
138.06635	36.7
145.02855	76.6
146.03195	1.0
149.05992	21.5
153.05455	1.4
162.03114	1.5
163.03905	6.5
177.05482	100.0
178.05852	1.2
180.06255	0.4
186.05559	0.7
195.06706	1.8
195.08789	60.4
195.62088	0.5
196.09154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
55.00571	0.4
55.01865	0.6
56.05028	0.6
63.02381	0.4
68.70482	0.4
69.04240	0.6
69.04546	2.7
69.78017	0.9
69.78422	1.9
78.04713	0.6
79.05492	1.1
81.07072	1.0
83.04984	0.4
83.06117	2.4
84.55034	0.5
89.03918	14.7
91.05461	2.2
93.07043	1.0
95.04929	0.6
95.08602	0.8
97.06544	0.4
103.05457	1.3
105.07041	0.8
106.04175	1.3
107.04967	1.9
107.08554	1.0
109.04004	1.1
110.07171	10.9
111.04472	0.5
111.05553	0.6
117.03384	37.4
121.06516	1.7
123.04347	0.6
124.05204	0.6
125.05965	0.8
126.90286	0.5
133.06529	0.6
134.03647	4.9
135.04428	4.3
135.11742	0.8
138.06628	60.8
145.02849	74.1
149.05994	16.8
151.09724	0.5
153.05449	1.1
157.87231	0.4
162.03139	1.3
162.55072	0.5
163.03905	8.7
165.39539	0.4
166.53696	0.4
177.05475	98.9
177.16418	0.5
186.05542	1.1
195.08778	100.0
196.09010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.03945	0.5
55.01868	1.1
55.05505	1.8
56.05041	0.8
56.96557	0.7
57.07072	0.7
63.02396	0.5
65.03928	0.7
67.05510	5.8
69.03443	0.4
69.04559	3.5
69.07059	2.0
71.04994	1.1
71.56818	0.6
77.03958	0.5
78.04726	0.5
79.05493	11.2
81.03443	0.5
81.07058	12.2
83.04985	1.1
83.06090	2.6
83.08599	0.7
85.06553	1.0
87.04448	0.4
89.03918	11.0
91.05475	5.3
93.03437	0.5
93.07044	26.6
95.04967	1.7
95.08611	10.2
97.06548	1.0
98.21131	0.6
103.05486	0.6
103.42077	0.4
105.07031	1.9
106.04172	1.2
107.04964	1.3
107.08588	8.9
109.03991	0.8
109.06524	0.9
109.10146	1.1
110.07169	11.8
111.04473	0.6
111.05591	0.8
111.08063	0.5
117.03382	24.9
117.07017	1.5
118.64280	0.4
119.08563	1.4
121.06484	4.5
121.10132	2.0
123.04331	1.0
123.08070	0.8
125.06053	0.9
130.07802	0.4
130.96373	0.7
131.04910	0.6
131.08582	1.6
131.96161	0.8
133.10141	3.8
134.03629	3.5
135.04416	3.3
135.08104	2.9
135.11694	27.0
137.09592	0.5
138.06627	61.1
139.07518	1.2
143.05437	0.8
145.02844	46.8
149.04744	0.7
149.05978	12.7
149.09633	1.4
149.13264	4.2
151.09782	0.4
152.05930	0.6
153.09105	0.7
153.97977	0.6
159.11681	3.8
160.33957	0.4
162.03162	0.9
163.03902	6.6
167.07079	0.4
177.05472	64.7
177.12721	7.7
177.16338	0.7
180.06372	0.5
186.05467	1.0
195.08777	100.0
195.13675	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	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.01877	1.4
55.05527	0.4
63.02379	0.5
65.03944	0.5
69.04555	1.4
71.04993	0.6
78.04732	0.7
79.05501	1.6
83.06121	1.4
86.60550	0.4
89.03922	16.0
91.05472	2.2
93.03406	0.6
93.07063	0.6
95.04980	0.6
95.08628	0.4
97.06541	5.2
103.05473	1.3
105.07072	0.4
106.04178	1.5
107.04971	2.6
107.08635	0.5
109.03957	0.4
110.07178	4.9
117.03386	36.7
121.06490	1.0
123.04309	0.8
125.05998	0.5
133.02948	0.4
134.03638	4.9
135.04431	3.3
135.07999	0.4
138.06636	28.1
142.30852	0.4
145.02853	69.8
146.03232	0.9
149.05988	16.2
149.13322	0.4
153.05487	0.6
158.06059	0.5
160.73817	0.4
162.03143	1.4
163.03931	8.5
177.05479	100.0
178.05844	1.1
186.05508	1.4
195.06714	1.9
195.08781	44.3
196.08972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
56.05022	0.5
63.02371	0.4
66.64332	0.3
67.05512	0.5
69.04549	2.7
70.00353	0.3
78.04726	0.5
79.05494	1.0
81.04572	0.4
81.07070	0.8
83.06088	2.0
89.03918	13.0
91.05470	1.2
93.07017	0.4
95.05000	0.4
98.21518	0.8
103.05423	0.4
105.07088	0.4
106.04177	1.2
107.04965	1.6
109.02876	0.4
109.03997	0.8
110.07166	10.2
111.05539	0.7
113.96355	0.3
117.03382	28.9
119.04935	0.4
121.06461	0.6
123.04354	1.0
125.06007	0.5
125.53125	0.3
133.06487	0.6
134.03622	4.1
135.04433	3.9
138.06627	56.2
145.02846	57.3
146.03201	0.6
149.05980	14.9
151.09805	0.6
153.05469	0.5
162.03110	1.3
163.03917	9.8
177.05470	79.8
177.16386	0.6
178.05775	0.6
186.05499	1.8
195.08774	100.0
196.09076	1.2
212.17484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
56.05011	0.5
66.80758	0.4
69.04556	3.0
69.28619	4.9
72.44705	0.5
78.04707	0.6
79.05511	1.2
81.07059	0.5
83.06107	1.8
89.03921	16.5
91.05465	1.7
93.03387	0.9
95.04977	0.8
100.32172	0.5
103.05466	1.2
106.04176	1.1
107.04962	2.3
109.04005	0.5
110.07172	10.6
117.03387	38.5
119.04932	0.6
121.06482	1.3
121.10123	0.9
123.04359	0.7
125.05977	0.9
134.03648	5.2
135.04419	3.5
135.11754	0.7
138.06635	57.5
145.02853	70.6
146.03207	0.7
147.68542	0.5
149.05997	18.4
153.05464	1.1
162.03111	1.5
163.03935	7.9
163.07559	1.1
167.07036	0.6
177.05478	100.0
178.05801	0.9
186.05521	1.4
195.08783	99.7
196.09224	0.8
206.87247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
56.05044	0.8
69.04557	3.0
69.70942	1.5
69.71352	0.8
73.36697	0.4
78.04731	0.8
79.05491	1.7
79.05929	0.4
81.07034	0.5
83.06111	1.9
89.03918	17.3
91.05482	1.7
93.03418	0.4
93.07044	0.9
95.04987	0.8
95.08610	0.6
103.05493	1.3
106.04181	1.8
107.04975	2.6
107.08574	0.5
109.04015	0.9
110.07176	9.1
111.04430	0.7
117.03381	38.8
118.29046	0.4
121.06498	1.3
121.10153	0.7
123.04357	0.8
134.03641	5.1
135.04439	4.2
135.08066	0.9
138.06630	47.3
138.50632	0.5
139.10509	0.4
145.02850	75.8
145.36839	0.4
149.05986	18.1
153.05441	0.9
154.06226	1.6
162.03134	1.3
163.03926	7.8
163.07599	1.0
163.93550	0.4
167.07076	1.0
177.05473	100.0
177.16316	0.6
186.05507	1.6
195.08775	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	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01858	2.3
55.05518	2.4
57.03440	6.3
65.03959	0.8
67.05508	3.8
69.03423	2.3
69.04554	3.5
69.07056	1.3
71.04983	2.0
71.30046	1.0
77.03927	0.8
79.05498	19.3
81.03413	0.8
81.07071	7.4
83.04967	1.7
83.06102	3.0
83.08599	0.6
85.06536	0.9
89.03916	1.5
91.05483	9.4
93.07051	30.8
95.04952	2.7
95.08623	3.7
97.06528	1.6
103.05514	0.7
105.07045	5.2
105.84310	0.5
107.04292	0.7
107.04965	9.2
107.08602	22.6
109.04017	0.8
109.06512	2.1
109.10128	0.8
109.98918	0.5
110.06487	0.9
110.07174	12.4
111.04435	1.2
111.05579	0.5
111.08080	1.5
115.05468	1.0
116.06281	0.6
117.03374	2.6
117.06223	0.8
117.07028	17.0
119.08531	0.7
121.06519	14.4
121.10159	6.3
123.04289	1.1
125.06012	2.6
125.09604	1.2
129.06964	0.6
131.08580	13.3
133.06479	1.8
133.10109	1.6
134.03635	0.8
135.04448	1.0
135.08061	29.7
135.11694	6.4
137.05969	1.0
138.06635	64.5
139.07530	0.8
141.05414	0.7
145.02837	4.0
146.06013	1.6
149.05995	2.6
149.09627	22.7
149.13240	1.0
151.03973	2.8
153.05499	3.6
153.09123	2.2
159.08049	1.5
159.11664	2.1
163.03888	1.4
167.10640	1.0
177.05515	8.1
177.09109	12.8
177.12773	4.0
178.08609	1.7
195.08762	100.0
195.10246	23.2
195.13782	1.9
196.09702	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1019
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
50.04720	0.6
53.03964	1.8
55.01886	3.3
55.05521	2.6
56.96564	3.8
57.03441	7.7
67.05520	3.0
69.03419	3.1
69.04570	2.5
69.07095	1.6
70.36184	0.6
70.61509	1.9
71.04999	1.0
73.02944	0.7
73.41955	0.6
74.25860	0.5
79.05503	20.3
81.03458	0.8
81.07066	5.7
83.05003	2.1
83.06126	2.6
84.43843	0.6
85.02940	0.7
89.00779	0.6
89.03938	1.5
91.05495	9.3
93.07054	33.4
95.04989	2.9
95.08634	1.9
97.02888	1.0
97.06544	1.9
98.97595	5.8
103.05454	0.8
105.04566	0.7
105.07040	6.0
107.04963	10.2
107.08606	23.5
109.04021	1.2
109.06554	2.2
109.10175	1.1
110.07180	13.1
111.04477	2.2
111.08112	1.8
115.05471	1.4
116.06287	1.4
116.98628	1.4
117.03410	2.3
117.07034	17.3
119.08630	1.1
121.06527	15.2
121.10159	7.6
123.04391	1.1
125.06007	3.6
125.09672	1.9
128.02292	3.4
129.07034	1.1
131.08595	13.2
131.09523	1.1
133.06529	1.6
133.10136	2.0
135.04501	1.5
135.08066	36.2
135.11719	2.5
137.09654	0.8
138.06639	63.4
141.05516	0.9
145.02866	4.7
145.46199	0.6
149.06003	3.1
149.09634	24.0
149.13252	1.0
153.05504	4.2
153.09143	2.0
158.99718	1.9
159.08125	1.5
159.11714	0.9
163.03970	1.6
164.03416	0.6
177.00745	1.4
177.05521	5.3
177.09131	15.0
177.12807	1.8
177.16403	0.9
183.06001	1.5
195.08824	100.0
195.10284	25.7
213.42638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1747
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03947	1.7
55.01883	2.5
55.05519	5.2
56.96577	2.8
57.07085	0.6
61.13675	0.5
64.00343	0.5
67.05512	3.0
67.56305	0.5
69.03434	1.8
69.04557	3.4
69.07070	8.6
69.48654	1.2
69.49057	3.0
70.92788	0.5
71.04997	1.9
77.03944	1.0
79.05503	7.3
81.07069	8.2
83.04978	0.9
83.06112	2.1
83.08627	3.3
85.06537	2.5
89.03922	0.9
91.05503	1.9
93.07056	8.2
95.04979	2.2
95.08612	13.2
97.04066	0.5
97.10190	2.9
99.08098	13.2
103.05540	0.6
105.04538	0.9
105.07044	1.2
107.02565	1.6
107.04971	1.4
107.08608	13.7
109.02310	0.5
109.04021	1.2
109.06551	0.8
109.10181	3.1
110.07174	9.9
111.08087	8.6
111.11725	0.7
113.09667	1.0
116.03115	1.8
117.03382	1.7
117.07088	0.6
121.06507	0.6
121.10152	14.6
123.04306	0.9
123.11732	0.8
125.06022	0.9
125.09649	2.2
125.86011	0.4
128.04930	2.2
129.05658	0.6
133.02863	7.1
135.04422	6.3
135.08070	1.8
135.11687	7.1
137.05444	1.9
137.13258	4.5
138.06639	54.9
139.11194	1.6
142.04646	3.8
145.02866	3.9
149.05977	1.2
149.09608	0.7
149.13264	2.1
150.46980	0.5
151.05159	5.5
153.55409	0.5
160.05716	1.2
162.06137	0.6
163.03920	86.4
164.04245	0.9
177.05501	6.1
177.12825	1.0
177.14827	0.5
177.16406	23.1
195.08788	100.0
195.17427	6.0
196.09247	1.2
202.03781	0.5
211.21404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93831	1.3
65.45081	0.4
68.49541	0.4
69.95811	1.0
69.96181	14.4
70.25505	0.9
70.25896	1.2
70.95861	1.0
71.94098	3.5
72.93801	0.4
72.94883	0.6
76.40112	0.4
98.97588	0.5
105.18528	0.5
110.98786	2.4
111.07505	0.8
111.98455	0.9
113.95116	11.5
116.98764	0.4
119.01921	0.8
129.04028	0.5
131.01894	0.9
131.96155	100.0
132.95810	1.7
138.06639	1.5
139.07016	3.2
145.03455	0.8
149.97209	62.2
150.96889	1.4
154.97742	37.1
155.97435	1.4
167.98273	2.8
168.05037	0.5
172.98817	41.5
173.02922	3.0
173.98543	1.1
177.82962	0.4
190.99956	0.5
196.00397	1.9
196.04549	1.4
196.09114	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	196.004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93841	1.4
67.05463	0.6
69.36151	1.6
69.36568	3.1
69.96178	13.2
71.94099	4.5
72.26686	0.6
72.93789	0.6
74.28904	0.5
81.07066	1.0
84.83641	0.5
86.05421	0.6
86.74773	0.6
94.07363	0.8
95.08581	0.7
107.08633	0.7
110.98783	2.7
111.07490	0.9
111.98488	0.6
112.96714	0.9
113.95106	8.7
113.96372	0.7
123.04419	0.6
123.63680	0.6
131.96153	100.0
132.95819	1.8
133.10168	0.6
138.06628	2.0
139.07045	3.5
146.03183	0.8
149.97206	62.4
150.09125	0.7
150.96867	1.9
153.88222	0.6
154.97742	39.4
155.97433	1.8
167.98294	2.7
172.98810	44.5
178.05844	1.0
190.99814	0.8
196.00426	3.1
196.06154	0.8
196.09128	11.6
196.16972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	Atraric acid
Peak:m/z	Relative Intensity
51.02375	0.5
53.03949	2.6
53.79142	0.5
55.01873	0.9
55.05515	1.0
57.73704	0.4
59.05008	15.2
62.44708	0.4
65.03944	3.9
66.28230	0.5
67.05504	2.0
69.07081	1.0
70.77854	1.2
70.95857	2.8
72.93790	1.0
77.03922	0.6
79.05494	6.8
79.24889	0.4
81.03430	2.6
81.07066	13.8
83.04983	2.0
91.05489	64.6
93.03423	6.0
93.07053	15.5
94.04205	1.1
95.04978	6.5
95.08621	1.4
97.02896	1.0
97.06536	1.5
105.03427	0.9
105.04549	1.0
105.07040	4.7
107.04960	1.6
107.08626	2.4
109.02895	1.8
109.06535	14.2
111.98456	2.5
118.04187	1.4
119.04954	100.0
121.06494	0.6
123.04399	0.9
123.08074	4.9
125.05975	0.7
129.99542	0.6
132.95865	5.2
133.02843	2.3
133.06505	2.9
133.10146	1.9
135.04396	1.1
135.11716	0.9
137.02328	0.8
137.05992	21.4
137.09590	0.7
141.05484	1.8
150.96910	3.7
151.03951	1.2
151.07558	22.1
155.97418	3.8
161.05939	0.8
161.13316	0.7
165.05492	33.2
167.07050	0.6
173.98497	4.4
179.07062	2.0
179.10712	2.3
179.14380	0.5
183.06540	8.4
197.08009	2.2
197.11763	2.0
197.13431	0.6
197.15343	0.5
198.18541	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03944	1.6
55.01868	2.0
55.05501	3.9
55.93515	1.2
56.96563	1.9
57.03434	1.2
57.07058	1.1
59.05001	2.4
65.03948	1.2
67.05507	9.8
69.03432	2.3
69.07074	1.9
69.22012	9.2
69.39645	0.9
70.95870	13.8
71.05002	1.3
72.93801	6.9
77.03921	1.2
79.05496	9.9
81.03437	1.6
81.07066	11.7
83.04980	2.1
85.06525	1.6
85.95336	1.1
88.96922	2.2
91.05489	18.2
91.45708	0.9
93.07053	22.5
95.04982	18.1
95.08620	5.3
97.06530	2.0
99.04426	1.6
103.05453	1.1
105.03394	2.9
105.07035	31.2
107.04964	1.4
107.08610	61.3
109.06539	10.6
109.10152	6.2
111.04456	1.8
111.98491	14.8
113.96394	2.5
114.94786	1.1
115.05437	1.9
118.07835	1.1
119.04930	3.5
119.06111	1.2
119.08574	9.0
121.06530	6.5
121.10159	1.6
123.04443	25.8
123.08107	5.2
123.11724	3.5
125.06004	1.7
129.99530	5.4
131.08592	3.0
132.95853	29.0
133.06502	4.0
133.10150	58.7
134.10378	1.0
135.08084	1.5
135.11707	51.5
137.05986	7.5
137.09621	5.5
141.05507	1.9
146.07388	1.1
150.96904	25.7
151.03896	2.8
151.07544	2.7
151.11177	6.3
155.96227	1.4
155.97461	24.2
156.09358	1.0
161.09637	30.5
161.13278	1.8
165.05522	2.4
173.98523	28.4
179.10693	100.0
180.11214	1.1
197.00089	1.6
197.04588	1.1
197.11757	75.1
198.18549	11.5
204.40909	1.0
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	Kobifuranone A
Peak:m/z	Relative Intensity
53.03955	0.9
53.14079	0.7
55.01859	1.5
55.05504	3.0
59.04990	2.0
67.05500	4.4
69.03403	1.6
69.07066	1.1
70.95839	1.1
71.01331	1.3
71.04984	0.7
71.58081	1.2
79.05494	7.3
81.03407	1.1
81.06580	1.1
81.07057	18.7
82.71120	0.7
83.04985	13.4
85.06539	1.6
91.05482	17.3
93.06478	1.3
93.07048	22.6
95.04987	7.3
95.08589	3.2
97.02879	1.0
99.00797	1.7
105.03419	1.2
105.07034	31.1
107.04909	0.7
107.08596	58.1
109.06512	9.7
109.10173	5.4
111.98468	1.4
115.05447	1.0
117.07036	1.5
119.04939	2.6
119.06065	0.9
119.08569	7.3
121.06499	7.2
121.10094	0.9
123.04420	4.1
123.08031	1.5
123.11725	3.7
130.83423	0.7
131.08534	1.4
131.28392	0.7
132.95851	3.7
133.02832	2.1
133.06497	9.7
133.10135	60.5
135.08029	1.5
135.11696	54.9
137.05981	5.9
137.09589	3.4
143.08600	1.3
143.10870	0.7
146.07269	1.6
150.96893	2.5
151.03966	0.8
151.07571	6.1
151.11189	5.8
155.97427	2.9
161.05989	6.2
161.09618	31.6
165.05516	1.7
173.98520	2.7
179.07274	6.7
179.10677	100.0
180.10913	1.2
182.10913	1.4
197.08043	2.7
197.11737	94.6
198.12100	1.3
198.18555	4.4
198.70035	0.8
199.65858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01896	0.7
55.05517	0.7
59.04992	0.6
65.03951	1.0
67.05519	1.5
70.95857	0.9
71.19005	1.3
72.93808	0.6
79.05504	3.5
80.66794	0.6
81.07066	1.7
84.14484	0.6
91.05487	9.3
93.07057	7.1
95.04999	1.4
95.08620	1.0
105.07040	15.0
107.08604	100.0
109.06507	1.9
109.10178	4.8
111.98499	1.1
119.05021	0.9
119.06094	0.9
119.08611	4.8
121.06504	2.3
121.08765	0.6
121.10179	0.7
123.11710	1.6
125.15270	0.6
131.08557	1.4
132.95837	2.9
133.10144	54.6
135.11697	15.0
137.05989	2.0
137.09595	2.2
143.08549	1.0
146.07272	0.9
150.96873	1.6
151.11159	3.0
155.97377	3.5
161.09624	14.3
162.09906	0.6
173.98547	2.3
179.10687	26.0
189.82912	0.7
197.11746	69.3
198.12151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1538
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03937	2.2
55.01884	2.4
55.05515	25.7
57.03427	4.1
57.07065	3.8
65.03970	1.3
67.05512	29.7
69.03428	1.2
69.06717	2.1
69.07071	26.7
69.57941	3.3
69.58355	4.4
70.95856	5.4
71.04996	8.7
72.93806	1.6
73.06575	1.1
79.05499	15.0
81.07064	80.4
83.04983	5.7
83.08622	22.0
85.06544	13.1
91.05487	18.0
93.07051	27.1
95.04982	4.2
95.08616	100.0
97.06541	21.7
97.10171	9.5
98.20785	2.3
99.08130	6.1
105.07044	30.4
107.08607	16.7
109.06529	5.9
109.10160	6.9
111.08099	4.4
111.98489	6.8
113.06010	1.0
113.09641	1.8
115.07605	2.0
119.08592	38.6
121.10153	13.0
123.04466	2.2
123.08068	9.5
125.09684	1.2
127.07582	2.8
129.99525	2.0
132.95851	14.7
133.06549	1.3
133.10141	29.9
135.11702	25.0
137.09628	2.3
137.13260	29.4
141.09125	2.0
145.84349	1.1
150.96904	11.0
151.03941	1.6
151.11177	1.9
155.97440	10.4
161.09627	2.0
161.13268	86.1
173.98520	8.4
179.07120	1.6
179.10706	4.6
179.14320	44.2
197.05974	1.4
197.09525	2.7
197.11682	4.4
197.13434	2.5
197.15353	12.9
198.18558	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	197.1538
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03943	1.6
55.01872	2.5
55.05511	26.1
57.03432	4.9
57.07069	3.6
58.46563	1.2
59.04976	1.3
61.69643	1.2
64.47461	1.0
65.03944	2.1
67.05169	2.2
67.05511	33.7
69.03426	1.3
69.07076	25.5
70.95868	5.2
71.04990	12.5
71.35107	1.4
73.06563	1.7
79.05497	18.5
81.07062	88.1
83.05003	8.1
83.08622	23.1
85.06543	12.8
91.05484	21.4
93.07050	24.7
95.04989	2.9
95.08614	100.0
97.05935	1.4
97.06544	22.4
97.10175	9.9
99.08092	7.1
105.07037	30.9
107.08599	17.5
109.06525	7.1
109.10161	7.5
111.08086	3.8
111.98489	3.6
113.09653	1.4
115.07576	2.5
117.07054	1.3
119.04921	1.8
119.08588	41.3
121.10169	13.5
123.08092	12.4
123.11661	1.2
123.62734	1.1
125.05985	2.1
127.07536	1.4
131.08577	1.5
132.95847	7.8
133.06502	1.6
133.10138	34.7
135.11702	26.6
137.05992	4.4
137.09619	4.5
137.13271	26.6
141.09064	3.1
147.03395	1.4
150.96884	5.6
151.03883	1.7
151.07520	1.9
151.14720	1.2
155.97420	6.4
161.13269	84.7
165.05504	1.7
173.98489	7.7
179.06015	1.9
179.10695	5.1
179.14326	48.0
182.07382	1.2
197.05948	1.5
197.09735	2.1
197.11768	4.8
197.13480	2.6
197.15361	13.9
198.18515	10.3
203.59958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1538
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03938	2.1
55.01859	2.9
55.05517	16.1
56.96561	1.2
57.03426	3.7
57.07073	2.4
58.13176	0.8
60.52047	1.0
67.05508	32.2
67.08280	0.8
67.28027	0.8
69.03415	1.9
69.06719	1.5
69.07075	17.9
69.76865	5.0
70.06499	0.8
70.95872	6.2
71.05000	18.9
72.93781	3.0
79.05498	20.7
81.07062	54.7
83.04961	3.7
83.08626	12.8
85.06543	10.7
91.05482	19.3
93.07050	19.2
95.04970	10.4
95.08614	100.0
97.06539	42.2
97.10196	4.1
98.20693	1.0
99.08094	4.4
105.07037	21.1
106.23859	0.9
107.08603	21.8
109.06542	4.7
109.10158	11.5
111.04439	1.3
111.08075	5.4
111.98470	5.0
113.09706	1.7
117.07001	1.0
119.08587	29.4
121.06487	1.3
121.10165	5.8
123.04427	2.4
123.08064	6.7
123.11718	4.1
125.09657	0.8
129.99532	1.1
132.95854	13.1
133.06494	0.9
133.10143	31.0
133.54317	0.8
135.10701	1.1
135.11700	17.1
137.05971	1.4
137.09642	8.5
137.13245	8.8
149.13258	1.6
150.96918	7.6
151.03925	1.1
151.07462	0.9
151.11214	5.2
155.97435	9.6
161.09598	2.8
161.13271	51.6
173.98528	7.4
179.07121	1.1
179.09015	1.7
179.10692	21.4
179.14308	25.8
197.09482	3.4
197.11722	11.5
197.13431	1.9
197.15385	22.0
198.18564	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	197.1538
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03940	2.8
54.06736	1.2
55.01860	5.4
55.05270	2.2
55.05514	28.9
55.05779	1.3
57.03428	5.8
57.07061	4.7
60.17645	1.2
61.94034	1.3
65.03928	2.6
67.05508	35.3
69.03419	2.8
69.07071	24.8
70.95874	14.4
71.01350	3.4
71.04997	15.8
71.08945	3.1
72.93772	5.6
73.02922	2.2
73.06569	1.3
79.05495	26.2
81.03392	1.4
81.07060	80.9
83.04991	11.5
83.08618	20.5
85.06076	2.0
85.06548	22.6
85.73409	1.2
87.04476	1.5
91.05483	34.8
93.07045	29.0
94.04207	1.4
95.04975	10.1
95.08612	100.0
97.02853	2.1
97.06535	30.1
97.10184	9.5
99.08081	4.8
101.06044	1.3
105.03381	2.2
105.07038	34.8
107.04962	1.8
107.08602	30.1
109.06522	21.6
109.10174	13.4
111.08080	5.5
111.98487	17.3
113.09668	2.9
113.96413	2.7
115.07605	1.6
117.03355	2.3
117.07002	2.3
119.04937	5.7
119.08593	32.6
120.56758	1.5
121.06499	2.8
121.10140	9.9
122.03626	1.4
123.04414	3.1
123.08077	10.9
123.11679	3.9
125.05968	4.2
127.07531	2.5
129.99541	6.4
132.95836	24.0
133.02834	6.2
133.06488	6.6
133.10139	37.2
135.11710	29.0
137.05968	20.8
137.09601	5.7
137.13257	17.2
140.07056	1.7
141.05408	2.1
141.07004	3.2
141.09096	1.4
145.02791	1.6
147.03340	3.1
147.04425	2.0
150.96895	29.4
151.03911	10.0
151.07571	7.2
151.11159	3.1
155.08530	2.4
155.10606	2.0
155.97432	22.2
161.05984	2.4
161.09644	10.7
161.13271	60.2
165.05522	6.6
167.08490	1.3
169.06467	2.0
169.10144	3.3
173.98509	26.8
177.05428	1.6
179.05856	3.4
179.07088	4.4
179.10684	29.6
179.14323	27.9
182.07234	1.9
182.10956	2.6
197.00049	3.4
197.05951	7.1
197.08063	8.2
197.09441	9.2
197.11716	24.8
197.13297	6.6
197.15312	15.1
198.18539	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	197.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.05516	45.6
57.03448	1.1
57.07078	15.4
59.05005	1.6
63.49426	1.0
67.05510	37.9
69.06721	1.3
69.07073	23.4
69.77258	4.6
70.95887	1.5
71.04990	2.2
71.08633	3.8
79.05504	4.4
81.07062	79.7
83.08625	42.9
85.06536	1.7
85.10183	2.2
87.08108	1.0
91.05480	1.4
93.07034	2.6
95.04971	1.5
95.08614	85.2
97.10177	50.5
98.20684	0.8
98.21283	2.3
99.08112	7.2
101.09645	1.3
105.07021	2.0
107.08588	4.8
109.10163	92.1
111.11746	1.0
111.98498	0.9
112.19395	0.8
115.11220	4.7
119.08568	1.0
123.04425	2.9
123.11717	100.0
124.12009	2.2
132.95840	2.1
133.10129	2.8
135.11708	1.9
137.13266	34.3
139.14821	1.0
150.96886	2.7
151.72293	0.9
153.06984	0.7
155.97447	2.0
158.99626	0.9
161.09557	1.2
161.13304	1.1
173.98483	2.0
179.10739	2.5
179.17961	23.8
182.10909	0.9
197.09610	2.3
197.11731	3.0
197.13324	2.0
197.19037	7.0
198.18541	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	198.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32971	0.2
55.01881	0.2
55.05516	1.5
56.96584	0.2
57.07074	0.6
63.16595	0.2
65.03936	0.9
67.05508	0.2
67.26453	0.2
69.07072	1.3
71.08637	0.3
71.10298	0.4
71.10645	0.2
72.04515	0.2
76.40166	0.2
79.05499	0.5
79.79335	0.2
81.07068	0.4
82.06598	0.2
83.08629	1.1
86.06071	0.2
91.05486	100.0
92.05820	0.6
93.07052	0.4
95.08620	0.2
97.06504	0.3
97.10176	0.4
98.97615	0.3
100.07626	0.2
106.06568	2.3
107.08598	0.2
111.08092	0.3
121.10164	0.2
122.01274	0.2
122.62590	0.2
124.04801	0.2
136.52980	0.2
150.96881	0.2
157.88965	0.2
166.07773	0.6
174.98804	0.2
181.10133	4.5
198.11040	0.4
198.12794	6.7
198.18539	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	199.0967
Annotation	Gardendiol
Peak:m/z	Relative Intensity
50.71381	1.7
53.03940	9.8
55.01879	21.0
55.05514	14.2
56.96555	4.6
57.03434	5.2
57.07080	2.2
61.02928	2.5
65.03931	4.3
67.05176	2.9
67.05513	55.4
68.99437	3.0
68.99796	51.3
69.03436	16.3
69.07072	25.3
69.81885	9.7
71.01358	11.2
71.05003	29.9
72.04530	2.0
72.93802	3.1
73.02917	4.2
74.02457	2.1
74.09720	17.4
79.05498	64.9
81.03420	12.5
81.07058	28.6
83.04989	35.9
83.08631	7.1
85.02909	13.2
85.06538	2.7
86.09736	2.3
87.00841	39.5
91.05486	57.2
93.07050	73.4
95.01331	3.7
95.04974	32.1
95.08621	31.8
95.46151	1.9
97.02902	15.0
97.06538	100.0
97.10147	2.1
98.97589	18.1
99.04450	5.3
100.07622	4.7
101.02405	3.2
103.05482	14.1
105.04550	3.6
105.07053	15.9
107.04962	42.1
107.08604	18.9
109.02879	6.6
109.06548	20.2
109.10179	5.0
111.04462	8.8
111.08083	37.7
113.02367	11.4
115.05469	6.9
116.97263	5.5
116.98653	8.1
117.07030	13.6
119.08595	6.4
121.02898	2.8
121.06519	92.3
122.06831	6.6
123.04441	10.1
123.08092	4.4
125.06040	4.0
127.03926	4.2
128.06235	28.3
128.98607	2.2
129.07002	3.9
132.95844	4.1
133.06532	2.8
134.99664	3.1
135.04523	2.4
135.08057	41.9
137.06004	8.7
137.09644	17.3
139.03929	7.6
139.07555	27.8
139.47946	2.3
140.04720	5.1
141.06949	3.5
143.08582	18.4
144.95938	2.4
145.06502	7.3
151.07562	20.8
153.05443	6.3
153.07018	6.1
153.09151	8.2
155.07097	4.3
156.05710	2.7
157.06459	2.5
158.97404	4.3
163.07547	27.7
163.78935	2.1
171.08064	42.4
175.98633	4.7
178.02643	2.5
178.03978	4.3
179.04631	3.7
181.06441	2.6
181.06969	3.9
181.08620	46.8
182.99426	2.2
183.75685	2.1
185.06564	2.0
198.18602	2.7
198.96982	4.5
199.05821	3.5
199.07607	41.0
199.09663	13.9
199.18907	85.3
211.00558	22.1
216.97990	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	199.0967
Annotation	Stagonolide D
Peak:m/z	Relative Intensity
51.02319	0.5
53.03864	3.4
53.04137	0.8
54.36844	0.5
55.01790	1.3
55.05421	1.9
55.63640	0.5
56.96505	1.0
65.03851	1.7
67.05417	2.3
69.03373	0.8
69.06979	3.1
70.69180	0.5
71.04935	0.6
71.09579	0.8
72.08113	0.7
74.09626	4.6
77.03854	1.5
79.05412	2.5
81.03363	0.9
81.06966	2.8
83.08539	1.4
85.06477	0.6
86.09619	5.3
90.58031	0.5
91.05490	25.2
91.06000	1.6
91.79979	0.5
92.06221	1.2
92.33844	0.5
93.03326	1.2
93.07056	22.9
93.07604	1.3
93.95552	0.5
95.04985	4.9
95.08555	1.1
97.06465	0.9
97.10046	0.5
98.97592	8.8
100.07550	1.7
103.05482	13.9
105.03318	1.0
105.04428	1.5
105.06953	1.5
106.04115	0.6
107.04865	1.7
107.08607	4.2
108.08859	0.5
109.02819	0.5
109.06452	1.4
109.10077	1.5
110.03631	0.9
111.04470	2.8
111.08025	0.7
111.11666	0.9
116.54755	0.5
116.97263	3.2
116.98639	4.5
119.04961	4.2
120.05750	3.4
121.06519	29.9
121.10116	0.8
123.04458	2.9
123.08090	0.6
124.05145	0.5
125.02310	1.0
125.06032	2.5
125.09583	1.0
131.04884	1.6
131.05992	1.7
131.99518	0.9
133.02875	2.8
134.95781	0.6
134.99591	1.5
135.04318	0.6
135.07144	0.5
135.08070	5.2
136.05173	1.2
137.06029	3.7
138.06779	3.0
139.03931	0.9
139.05391	0.5
139.06563	0.5
139.07518	2.2
140.04611	1.4
143.08502	1.4
147.04459	3.1
148.05226	4.1
149.06003	8.4
151.03934	4.7
151.07501	1.2
152.96907	0.8
153.09077	1.7
155.07098	0.5
156.09286	0.5
157.10100	1.6
157.97417	0.6
158.01268	1.0
163.07541	0.8
165.05455	0.5
166.06281	20.6
166.07698	1.1
167.05156	0.5
167.07040	2.4
171.11630	0.6
175.98570	3.3
181.08615	100.0
198.18510	0.7
199.07571	2.6
199.09619	2.7
199.11282	0.6
199.14973	2.4
199.18921	23.7
200.16446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0966
Annotation	7-Deoxyloganetate
Peak:m/z	Relative Intensity
53.03944	0.8
55.01867	2.0
55.05513	3.2
62.54419	0.6
65.03934	1.0
67.05510	35.9
69.07070	2.0
71.24713	1.0
71.25047	1.0
73.02908	2.7
74.09710	2.9
74.30063	0.6
79.05499	16.0
81.07063	100.0
83.04997	0.8
83.08640	0.7
91.05485	4.7
93.03422	3.3
93.07059	8.6
95.04972	1.2
95.08621	2.5
97.06544	1.1
98.97606	1.3
100.07638	1.5
105.07056	3.8
107.04949	1.4
107.08606	49.6
109.06552	1.5
109.10166	41.3
110.10495	0.6
111.04482	1.9
111.08100	1.3
115.05457	1.6
117.07015	6.6
119.06120	0.7
119.08588	1.4
119.21872	0.7
120.97723	0.6
123.08113	0.8
125.02389	2.7
125.06023	3.7
125.09668	2.7
128.06212	3.2
135.08066	70.9
138.47055	0.6
139.03941	5.8
140.04700	1.5
141.07021	1.2
142.07832	1.3
143.08600	2.6
145.10266	0.9
148.39868	0.5
153.05597	0.7
153.09128	33.2
156.05695	3.0
156.09390	1.4
157.10172	2.6
171.08163	0.9
171.10403	0.6
171.11798	1.1
181.08614	19.8
184.05228	6.3
193.06581	0.6
199.05807	1.3
199.07637	14.0
199.09726	39.7
199.14854	3.4
199.18925	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	199.0966
Annotation	7-Deoxyloganetate
Peak:m/z	Relative Intensity
51.60069	0.8
53.03935	1.2
55.05500	2.1
60.77710	0.9
65.03920	1.4
67.05506	36.0
69.07056	0.9
69.67357	5.7
73.02896	1.8
79.05499	15.9
81.07060	100.0
91.05463	4.4
93.03393	3.4
93.07065	7.9
95.05005	1.1
95.08588	3.5
97.06460	0.8
97.87657	0.8
105.07029	2.5
107.04972	1.3
107.08599	48.2
109.10166	34.2
109.10916	1.8
111.04486	1.0
115.65993	0.9
117.07040	4.9
119.06097	1.0
119.08561	1.4
123.08007	1.2
125.06001	2.5
125.09579	2.6
135.08055	69.1
153.09106	33.6
153.10352	1.8
181.08580	18.0
199.09662	45.8
210.74435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0967
Annotation	7-Deoxyloganetate
Peak:m/z	Relative Intensity
53.03949	1.3
55.01862	1.9
55.05513	4.7
55.58074	0.6
56.96564	1.9
57.03435	1.0
57.07068	1.1
59.04998	1.8
61.02909	0.7
65.03933	1.5
67.05510	35.3
68.05787	0.6
69.03423	1.9
69.07079	3.1
70.06593	1.2
70.98135	1.1
71.04992	1.1
72.04539	0.6
73.02915	2.8
74.09718	5.1
76.22873	0.6
79.05059	1.1
79.05498	16.1
81.03435	0.7
81.07062	100.0
82.88239	0.6
83.04982	2.8
83.08626	0.9
85.02937	0.6
85.06541	1.5
91.05475	4.0
93.03416	3.6
93.07046	10.7
94.09534	0.6
95.04955	1.4
95.08611	2.8
97.02898	2.7
97.06547	1.5
97.10168	1.2
98.97594	7.1
100.07646	1.5
105.07049	5.3
107.04983	1.3
107.08600	49.2
108.08914	0.7
109.06530	1.6
109.10165	42.7
110.10534	0.6
111.04443	5.2
111.08080	1.5
115.05467	1.4
115.52722	0.7
116.97240	1.7
116.98649	3.4
117.07003	7.6
119.06097	1.0
119.08606	2.2
121.06503	0.6
121.10145	0.7
125.02358	22.4
125.05975	5.0
125.09639	2.1
128.06215	3.5
129.07004	0.9
134.99670	1.4
135.08063	71.5
139.03909	48.4
140.04741	1.2
141.06992	1.5
142.07797	1.2
143.08553	4.3
152.96906	0.9
153.09117	35.4
156.05692	1.8
156.09360	1.0
157.10112	4.3
158.99687	0.8
159.53297	0.7
168.05707	0.7
168.53815	0.8
169.72255	0.6
171.08043	1.4
171.11676	1.6
175.98599	1.1
176.02306	0.7
181.05112	0.7
181.08621	19.9
184.05229	2.2
199.07608	14.0
199.09700	39.0
199.14862	6.9
199.18916	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	199.1331
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03934	0.9
55.01854	0.8
55.05515	20.7
55.95921	0.5
56.96568	1.3
57.07077	11.1
58.97515	0.4
67.05506	3.4
69.03413	1.1
69.07082	4.3
69.45088	2.4
69.45507	1.5
71.04966	0.5
72.04519	0.9
74.09722	7.3
79.05505	3.9
81.07054	5.5
83.04987	8.8
83.08606	2.0
83.99128	0.6
84.08968	0.7
85.06548	5.5
91.05492	3.7
93.07052	9.0
95.04971	1.5
95.08610	12.2
97.06532	6.1
97.10162	0.7
98.97584	11.1
100.07608	2.3
103.05466	0.7
105.07018	2.9
107.04923	1.3
107.08604	17.5
108.23931	0.5
109.06535	3.1
109.10196	3.2
111.04449	100.0
111.08050	3.8
111.11699	0.7
112.04778	0.8
113.06031	1.5
115.52586	0.7
116.97301	2.5
116.98631	7.0
117.07028	1.5
119.08575	1.5
121.06509	2.9
121.10178	1.9
122.07328	0.7
123.08109	1.4
125.06001	27.8
127.07568	3.3
128.06201	1.3
129.06975	0.6
130.07813	1.9
131.99509	0.8
134.99677	2.3
135.08070	14.3
135.11696	21.6
137.13271	1.9
139.07518	3.6
140.00143	0.8
140.93436	0.5
142.07814	1.1
143.08609	2.5
145.10126	17.3
152.96999	0.9
153.12769	6.6
157.10162	2.3
158.01271	1.4
158.15388	1.1
163.11192	20.6
167.04890	0.7
171.11768	1.0
175.98598	2.6
176.02328	1.7
181.12245	39.6
195.35924	0.6
199.07555	2.8
199.11348	1.1
199.13252	1.1
199.14891	4.5
199.18927	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	200.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	17.4
55.05511	4.5
56.05024	4.4
56.96549	4.9
57.03439	35.1
61.02689	4.2
61.02929	45.5
63.54232	4.0
65.05294	3.7
67.05503	6.0
69.03434	59.9
70.26385	6.7
70.26781	13.7
70.74677	3.8
71.04970	9.4
73.02920	100.0
79.02130	4.7
81.01900	13.8
81.03410	18.7
82.01425	5.7
82.06544	4.2
82.99854	6.4
83.04973	14.9
84.08163	25.1
85.02908	81.7
86.03242	5.0
86.03745	3.6
87.01893	16.1
87.04452	11.8
93.01884	15.8
94.02671	18.6
96.02429	24.6
97.02882	30.9
98.20999	7.5
98.97592	41.8
99.01902	8.0
99.04440	16.5
100.02576	9.7
101.00887	62.1
102.00967	7.0
102.02399	22.5
103.00622	4.8
103.02527	4.6
103.03207	17.8
105.74831	3.9
106.02687	6.9
108.02402	17.2
109.03051	8.8
111.02965	24.7
111.04450	10.5
112.03713	9.5
113.00903	8.9
113.03488	4.6
114.02411	9.3
114.52498	6.1
115.02413	14.2
115.03177	7.4
115.03944	4.5
116.98637	19.6
117.02923	40.7
118.03580	5.0
119.01929	72.1
120.02035	5.7
121.01663	9.8
121.04228	19.1
121.54316	6.3
122.04002	5.2
123.02918	21.7
123.52999	9.7
124.03703	19.3
126.03436	12.5
126.09145	6.2
127.02419	6.7
127.03939	13.9
128.98514	4.3
129.03014	13.7
129.05530	8.5
130.03702	9.3
131.01904	34.4
132.03462	27.9
133.03310	26.0
133.04327	46.0
134.99637	4.1
136.03682	6.9
137.04456	6.3
138.03497	7.1
139.02403	11.6
139.04211	31.4
141.04054	7.7
143.01926	40.5
144.10188	14.9
144.53499	5.3
145.03278	6.8
145.04314	26.5
147.03050	7.5
148.04770	36.3
148.54919	4.8
151.04521	7.4
153.03874	5.8
154.04742	10.1
154.08664	8.1
155.01797	8.0
155.02910	5.8
157.03462	52.6
158.03665	5.6
158.99635	4.9
159.01379	5.9
159.03204	7.5
160.04784	8.9
161.02956	31.1
162.03195	5.7
163.05371	38.1
166.04730	5.6
168.01465	4.8
169.03413	10.4
172.09686	11.7
173.02936	11.5
174.03098	5.6
175.04645	15.2
176.04692	6.1
177.00784	4.1
177.02438	12.2
182.02965	4.9
182.08127	11.6
184.05856	7.8
185.03011	7.7
189.00734	4.1
191.03893	8.8
200.04076	35.3
200.07188	5.1
200.09103	8.8
200.12799	7.7
205.05547	28.6
206.05814	5.4
215.03773	4.5
218.05238	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	201.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
53.97803	1.4
55.01873	17.1
55.05513	3.3
56.02664	1.2
56.96578	8.5
57.03440	28.1
58.03771	2.0
58.06598	6.5
58.99855	1.9
61.02640	2.4
61.02932	37.3
62.03261	2.4
68.98280	1.3
69.03075	2.4
69.03436	38.3
70.03755	4.3
70.06614	2.1
70.98072	1.8
70.99841	2.1
71.01353	2.6
71.05002	8.3
71.55078	1.3
71.55478	2.6
72.08144	2.5
73.02921	100.0
74.03259	10.2
74.28932	1.4
75.03329	2.0
75.04475	3.1
77.00901	1.5
79.02203	1.7
79.52227	2.3
80.02036	1.9
81.01897	6.5
81.03429	12.4
81.51980	6.1
82.01818	2.3
82.03747	1.8
82.99854	4.1
83.01398	1.2
83.04993	9.1
84.04509	2.7
84.08147	3.3
84.96085	1.5
85.02908	66.7
86.03265	7.3
86.09716	3.2
87.01902	8.1
87.02806	1.5
87.04491	6.2
87.51942	8.4
88.01780	7.1
88.02673	2.7
88.52784	3.8
89.00829	2.0
89.02538	3.2
90.02451	1.4
90.52479	1.6
91.00650	1.2
91.02341	2.4
93.01904	4.6
93.51981	7.2
94.01771	5.5
94.02692	6.7
94.52756	9.6
95.02064	1.3
95.02552	7.8
95.04926	2.0
95.06057	1.4
96.02430	5.2
96.03345	1.5
96.52506	4.7
97.02292	5.2
97.02894	19.7
98.01308	3.8
98.03256	3.0
98.97601	16.2
99.01142	1.9
99.01868	2.0
99.04449	10.1
99.51945	3.1
99.97911	1.7
100.02604	1.5
100.04807	2.0
100.52763	5.5
101.00890	46.6
101.01567	3.1
101.02509	6.8
101.53522	2.1
102.00948	21.0
102.02390	7.9
102.03356	1.4
102.52508	19.3
103.00648	21.0
103.01279	2.5
103.02341	13.5
103.03213	2.6
103.03900	2.5
103.53280	10.7
104.01302	2.7
104.03095	3.7
104.10755	7.1
105.02091	1.4
106.01785	1.9
106.02769	2.0
106.52761	4.6
107.01790	3.1
107.02501	1.5
107.53542	2.6
108.02409	3.6
108.03325	1.5
108.52485	9.2
109.02273	5.7
109.02863	7.6
109.53295	7.1
110.03117	5.8
110.52243	2.1
110.97568	3.1
111.02067	5.3
111.02939	6.3
111.04462	6.0
111.53011	15.7
112.02805	8.5
112.03716	5.7
112.52744	2.0
112.53796	11.2
113.00889	5.4
113.03565	9.1
113.53623	2.5
114.00996	2.6
114.02406	3.5
114.03291	2.4
114.52467	7.0
115.00635	2.7
115.02414	10.2
115.03194	2.8
115.03975	3.5
115.53291	9.4
116.03074	2.8
116.07049	1.4
116.52203	2.6
116.98630	5.4
117.02161	6.8
117.02940	7.6
117.03734	1.8
117.53005	17.7
118.02789	14.3
118.52921	1.3
118.53822	2.4
118.96747	3.1
119.01927	80.2
119.03641	4.2
119.53629	2.0
120.01953	24.5
120.52571	1.7
121.01663	30.2
121.02410	3.2
121.03383	1.8
121.04212	5.6
121.06538	1.8
121.53486	2.2
121.54279	11.7
122.03109	3.5
122.04107	10.5
122.54148	2.7
123.02945	3.9
123.53011	16.2
124.02739	7.0
124.03692	3.5
124.53786	11.9
125.01771	2.4
125.03568	8.1
125.53669	1.7
125.54556	2.7
126.53511	6.5
127.02455	3.3
127.04020	11.8
127.53239	2.3
127.98936	3.0
128.02422	2.3
128.04190	1.6
128.54079	1.5
128.98645	2.7
129.02194	2.5
129.03091	9.7
129.05504	3.3
129.53017	5.3
130.02809	2.6
130.03723	2.1
130.53926	9.9
131.00130	1.8
131.01910	17.8
131.03496	6.2
131.54591	3.3
132.01907	8.5
132.03444	3.5
132.04332	1.8
132.53545	8.1
133.01668	11.4
133.03400	25.8
133.04262	4.9
133.54326	29.2
134.04204	15.1
135.03236	4.7
135.53015	1.7
136.53812	5.6
137.02838	11.8
137.05965	2.6
137.54585	2.1
138.03375	2.3
138.04391	2.6
138.53566	5.2
139.02461	4.7
139.03345	2.9
139.04231	5.6
139.54327	18.2
140.02525	5.3
140.04073	11.9
140.55202	2.4
141.02124	2.5
141.54008	1.6
142.02577	1.4
142.03624	3.9
142.54105	18.2
143.01907	16.2
143.03557	1.6
144.02010	15.3
144.53592	3.0
144.99814	3.4
145.01636	14.3
145.03313	9.2
145.05098	2.4
145.54332	25.3
145.99995	4.7
146.04070	11.3
146.55228	2.6
146.99612	1.5
147.01439	1.6
147.03143	9.4
147.04967	5.3
147.54071	2.8
148.04730	2.4
148.54904	18.8
149.02921	2.0
149.04698	11.4
149.54884	4.3
150.03226	1.4
151.00581	1.7
151.04524	8.1
151.54567	9.5
152.04544	2.0
153.54108	3.2
154.55035	8.2
155.01857	6.6
155.04651	5.3
156.02020	3.1
156.03618	8.6
156.04933	1.8
156.97455	1.8
157.01730	3.8
157.03485	17.3
157.54523	3.0
158.03609	23.6
158.99678	2.5
159.01338	2.3
159.01964	1.8
159.03192	19.8
159.05103	1.6
160.54826	3.2
161.01584	2.4
161.02965	17.6
161.04657	4.5
162.03101	14.4
162.54579	2.4
163.02748	12.5
163.04410	5.1
163.05495	2.4
163.55431	26.0
164.05260	14.9
164.55498	1.9
165.04288	4.1
165.05508	1.6
166.54936	2.4
167.01909	1.6
167.04564	1.3
169.01607	9.6
169.03421	6.4
169.06131	1.6
169.53636	1.4
170.03574	3.2
173.01587	1.9
173.02974	7.9
173.04530	1.7
174.03166	5.4
175.02768	4.7
175.04552	10.0
175.06088	1.8
175.55443	7.9
176.04642	12.6
176.98317	2.1
177.00797	3.0
177.02553	2.9
177.04237	11.3
177.98204	1.2
178.02533	8.1
178.09238	1.4
179.02339	2.8
179.03995	2.5
182.05760	2.0
182.99661	2.2
183.05247	1.8
183.07637	3.0
184.04588	1.9
184.07326	6.6
184.55971	11.2
185.02989	3.2
185.05792	8.4
186.03217	2.8
187.00850	4.1
187.02718	6.2
187.04477	2.6
188.04787	3.8
189.04292	2.1
191.02188	2.1
191.03952	2.2
191.56645	1.9
192.04662	3.6
193.05487	2.4
194.99260	1.3
198.98636	1.7
201.00848	2.1
201.02446	7.7
201.04253	6.2
201.05905	2.0
201.09271	1.8
201.12408	2.7
202.05902	2.4
203.03885	2.3
204.04268	2.2
205.03839	2.5
205.05635	7.6
206.05713	14.4
207.05345	11.3
219.01724	1.9
219.03525	3.5
219.05373	2.8
219.07236	1.7
222.05247	2.0
223.06638	29.3
224.06822	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0911
Annotation	Dehydrotremetone
Peak:m/z	Relative Intensity
69.52983	1.4
69.53381	0.5
91.05486	0.3
93.07067	0.2
93.67284	0.2
98.21471	0.5
105.07057	0.3
115.05452	3.3
116.06223	0.8
117.07046	0.3
125.63570	0.2
128.06236	2.0
129.07022	5.3
130.07802	5.7
131.08597	0.5
139.05417	0.5
140.06207	2.7
141.06975	1.7
142.20523	0.3
143.04907	1.7
144.05678	0.3
145.06532	0.4
145.10127	1.3
155.04939	0.7
155.06110	0.2
156.05745	1.2
157.06505	40.6
158.07285	26.2
159.07710	0.3
159.11700	0.5
161.05991	0.4
169.06447	0.3
170.07413	0.3
171.04440	1.0
172.05179	1.3
173.09496	0.3
173.13139	0.3
184.05235	0.2
185.05988	4.2
186.06779	18.5
187.07149	0.3
201.09122	100.0
201.16275	1.1
202.09460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.091
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
55.05514	1.1
56.96566	1.1
57.03443	0.5
57.07092	0.6
67.05510	1.8
69.03411	0.4
69.07072	1.4
71.04996	0.5
71.57352	0.5
78.77785	0.3
79.05481	0.6
79.30226	0.3
81.07058	3.2
83.05012	0.5
83.08652	0.4
84.18430	0.3
85.02888	0.5
91.05483	2.0
93.07052	1.5
94.29472	0.3
95.04974	0.9
95.08614	2.6
98.97591	0.8
99.04443	0.3
103.05483	0.4
105.07030	2.5
107.08602	1.8
109.06551	0.7
109.10194	0.9
111.04491	0.3
115.05477	2.8
115.96455	0.4
116.06227	0.9
116.98659	0.8
117.07017	1.8
117.98969	0.3
118.96767	1.0
119.08582	2.8
121.06485	0.7
121.10128	0.6
123.04468	0.3
123.11753	0.4
127.03941	2.8
128.06229	2.1
129.07005	5.4
130.07800	5.1
131.08569	4.7
133.10149	1.5
134.99641	0.6
136.95508	0.5
137.05998	1.3
137.09598	0.9
139.05431	0.3
140.06223	1.7
141.05429	0.3
141.06989	2.0
142.07837	0.7
143.04898	1.4
143.08577	1.1
144.05721	0.4
144.09283	0.6
145.06494	0.5
145.10139	7.4
149.05350	0.3
154.59059	0.7
154.96516	0.3
155.04968	0.4
155.07144	0.4
155.08548	0.9
156.05748	0.7
157.06502	38.3
157.10136	1.2
158.07281	24.4
158.10927	0.8
159.07968	0.7
159.11699	6.5
161.05992	0.5
163.11209	0.4
165.05484	0.8
171.04440	0.7
171.11725	0.6
172.05211	1.5
172.12483	0.7
173.09633	0.8
173.13280	3.0
177.98114	0.8
183.06496	0.9
183.08122	0.7
183.11694	0.7
185.05977	3.0
186.06766	14.0
201.09117	100.0
201.12892	2.1
201.16382	11.5
202.09444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1123
Annotation	Gelsemiol
Peak:m/z	Relative Intensity
51.00754	0.9
53.03941	1.4
55.01873	1.2
55.05516	2.0
56.96583	1.7
57.03437	2.0
65.03942	2.1
67.05508	40.6
67.25117	1.0
69.03413	1.5
69.07053	1.3
70.06608	1.0
70.62250	2.9
70.90869	0.9
71.04997	2.6
72.08154	1.0
73.02921	1.0
79.05490	16.7
79.05914	1.6
81.07059	30.3
85.02892	2.1
86.09737	0.9
87.04515	0.8
91.05482	27.9
93.07049	29.8
93.07635	1.7
95.04974	34.5
95.08611	100.0
97.06553	2.2
98.85036	1.0
98.97584	5.3
99.97939	1.4
103.05482	1.0
104.06271	1.3
105.07053	4.5
107.08596	11.3
109.06524	7.5
109.10161	18.5
111.04446	1.3
115.05448	2.8
116.98611	1.6
117.07009	7.1
118.96764	1.9
119.08586	58.4
121.10168	2.9
123.04446	1.2
125.09654	1.7
127.03916	4.3
129.07022	1.3
130.07802	1.1
131.08588	4.2
133.99081	0.9
135.08081	1.5
137.06039	1.3
137.09624	32.0
139.07608	1.0
141.07030	3.1
145.06508	3.8
145.10121	10.6
147.08022	5.1
153.09138	1.8
155.10684	1.3
158.03648	3.5
158.07321	2.1
158.99582	0.9
159.11684	7.0
165.05460	1.7
165.09126	58.8
166.09462	1.1
169.06516	1.4
173.05965	5.4
173.13264	1.4
177.98151	1.3
183.06566	1.7
183.10155	9.0
186.03094	1.1
186.06781	3.7
201.05450	11.8
201.09137	11.0
201.11053	1.8
201.12827	2.1
201.16379	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	201.1639
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03955	0.7
54.37822	0.6
55.05510	1.2
56.96555	1.0
57.03462	0.7
57.07066	2.5
59.60555	0.7
64.18721	0.7
67.05505	4.0
69.07061	3.3
71.04987	0.8
71.56756	0.7
79.05484	3.0
80.21005	0.6
80.98261	0.6
81.03438	1.0
81.07063	6.4
83.05019	0.7
83.88478	0.6
90.82415	0.6
91.05490	6.8
93.07063	5.6
94.67973	0.6
95.04949	1.4
95.08617	7.6
98.97603	1.5
101.02367	0.9
103.05421	0.8
105.07044	8.7
107.08614	6.8
109.06536	1.5
109.10155	2.7
113.05991	1.1
115.05419	0.8
116.06205	0.7
116.98642	0.7
117.07046	7.1
118.96770	1.9
119.08607	9.3
121.10145	2.3
127.03930	5.5
128.06203	0.8
129.07025	2.5
130.07787	2.9
131.08580	32.1
133.10136	7.4
137.05988	3.5
137.09648	1.4
141.05496	1.2
141.07036	0.7
142.07706	0.9
143.08612	4.4
144.09326	3.0
145.10139	35.6
146.10918	1.7
147.11661	0.9
154.59079	1.2
155.07051	0.9
155.08592	0.8
157.10188	5.4
158.10896	3.8
159.08099	1.0
159.11711	39.5
165.05473	2.4
171.11678	3.2
172.12454	3.6
173.13295	11.1
177.98090	2.0
183.06587	1.8
183.11766	1.2
186.14058	6.1
201.09131	3.1
201.12752	4.5
201.16406	100.0
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	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03944	1.3
55.05513	1.6
57.07077	2.5
65.03939	1.1
66.38332	0.8
67.05513	6.6
69.07066	3.5
69.99731	1.2
70.00134	3.8
71.08633	1.4
72.05517	0.7
75.32403	0.8
79.05087	1.1
79.05492	5.6
81.07063	12.0
83.08618	1.1
91.05479	12.6
93.07045	16.8
95.04984	1.0
95.08615	14.3
98.97595	0.9
99.04464	0.7
103.05486	1.5
105.07038	29.8
107.07864	1.3
107.08601	24.9
109.06476	0.8
109.10159	3.5
110.87679	0.8
115.05460	3.4
116.06254	0.9
116.98671	0.9
117.07022	15.8
119.06071	0.8
119.08591	15.0
121.06512	0.8
121.10164	11.1
122.10519	0.7
127.03931	2.6
128.06310	1.2
129.07004	6.2
130.04160	0.8
130.07796	8.2
131.08578	34.3
132.31743	0.8
133.10152	5.9
141.07036	1.4
142.07825	1.4
143.08563	8.8
144.09357	6.7
145.06476	2.1
145.10133	85.0
146.10892	2.4
154.43976	0.7
157.06483	1.2
157.10197	4.9
158.03662	2.5
158.07329	1.6
158.10883	3.6
159.11705	100.0
160.12100	1.2
171.11685	1.9
172.12471	1.0
173.05963	4.7
173.13283	14.9
174.57950	0.7
183.06569	1.0
186.03088	1.2
186.06776	1.9
186.14053	2.0
201.05475	11.0
201.09148	10.1
201.16397	82.7
202.16777	1.0
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	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03940	1.5
55.05501	3.3
57.07069	2.3
63.51619	0.7
67.05507	7.9
69.07068	5.0
69.46343	3.8
69.46765	1.7
71.08626	1.8
75.44499	0.8
79.05502	6.9
81.07064	15.0
83.08623	1.7
91.05481	12.1
91.06026	1.4
93.07046	20.8
94.01850	0.7
95.04974	1.5
95.08609	17.6
98.20728	0.9
102.60783	0.7
103.05417	1.0
105.07034	26.0
107.08600	24.0
109.10162	6.9
115.05453	6.1
116.06226	1.2
117.07026	11.3
119.07954	0.7
119.08587	17.3
121.10148	11.5
127.03891	1.8
128.06232	1.1
129.07027	4.3
130.04149	3.1
130.07796	5.7
131.08575	34.3
133.10138	9.2
141.07007	1.4
143.04912	1.2
143.08551	4.5
144.09357	5.3
145.06499	4.7
145.10129	91.3
146.10890	3.6
147.11685	1.7
157.06387	1.1
157.10138	5.4
158.03630	8.5
158.07251	2.3
158.10928	3.0
159.11697	57.4
160.18750	0.8
162.03168	0.9
169.06572	1.3
171.11694	1.7
172.12422	1.8
173.06009	12.9
173.09732	0.8
173.13281	16.6
186.03212	3.4
186.06758	1.4
186.14061	1.6
201.05475	35.0
201.09108	7.7
201.16391	100.0
202.05904	0.8
202.16750	1.4
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	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03928	1.1
55.05505	3.1
55.66961	0.9
57.07076	5.4
67.05512	6.8
68.15722	0.9
69.07069	10.8
71.08632	1.7
71.59375	1.5
79.05499	4.6
81.07056	14.8
83.08615	2.9
91.05489	14.0
93.07046	14.4
95.04953	0.9
95.08615	15.4
98.97585	1.9
103.05446	1.0
105.07038	25.5
107.08598	17.6
109.10175	5.8
115.05438	5.2
116.06228	2.0
117.07025	21.1
119.08589	15.3
121.10149	10.5
127.03893	2.6
128.06224	2.8
128.69218	0.9
129.06990	6.5
130.04073	1.3
130.07791	7.2
131.08580	40.3
133.10146	8.3
141.07027	1.2
142.07748	1.6
143.08565	8.8
144.09352	6.0
145.06476	3.5
145.10130	88.6
146.10876	1.9
147.11684	1.5
151.97281	1.2
155.04866	1.2
157.06450	4.4
157.10130	6.6
158.03632	4.2
158.07317	4.9
158.10924	4.7
159.11705	58.5
165.05513	1.2
169.06493	1.8
171.11700	3.3
173.05995	7.9
173.09637	2.0
173.13260	14.8
183.06505	1.2
186.03163	2.0
186.06778	2.9
186.14005	2.9
201.05479	16.0
201.09132	21.2
201.16391	100.0
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
53.03945	0.6
55.01864	0.8
55.05503	2.1
56.96568	3.6
57.03435	1.2
57.07076	3.3
61.16850	0.5
67.05515	4.8
69.03434	0.9
69.07077	3.1
71.04977	1.0
71.08636	0.8
71.56646	0.7
76.99038	0.5
79.05501	3.0
79.27818	0.5
81.07057	5.8
85.02877	0.7
85.06535	1.0
87.04475	1.0
91.05488	7.7
93.07049	5.6
95.04956	1.4
95.08607	5.2
96.53159	0.6
97.99216	0.6
98.97594	1.9
99.04461	0.7
105.07040	9.0
107.08589	5.2
109.06512	1.6
109.10155	3.6
109.87247	0.6
111.04414	0.8
115.05447	0.6
116.06220	1.6
116.98637	1.6
117.07018	5.5
118.96764	3.5
119.07800	0.8
119.08591	8.4
121.06510	0.7
121.10137	2.5
123.04452	1.1
123.11707	1.2
127.03915	6.7
128.32600	0.5
129.07004	3.3
130.07776	3.4
131.08578	49.0
133.10143	11.2
134.99660	1.0
137.06001	2.3
137.09627	1.5
141.05450	1.4
142.07797	1.7
143.08582	4.8
144.09366	3.7
145.06509	0.8
145.10132	31.9
145.58578	0.8
146.10902	0.8
147.11725	0.8
151.11201	1.7
154.59076	1.5
154.96480	1.0
155.07106	0.9
155.08568	1.5
156.09293	0.6
157.10191	7.1
158.10933	1.8
159.11703	47.0
159.97099	0.7
165.05498	1.9
165.09209	0.6
171.11768	2.7
172.12476	6.7
173.09625	0.8
173.13281	17.2
175.44235	0.5
177.98102	2.5
183.06563	2.3
183.17465	1.0
186.14070	5.5
189.53760	0.6
199.14725	0.8
201.05527	0.9
201.07552	0.9
201.09222	3.3
201.12975	4.4
201.16396	100.0
202.16765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57629	0.6
70.82809	1.5
82.99847	6.0
98.97581	1.3
100.97217	1.5
101.00892	51.8
102.00942	0.7
119.01931	100.0
120.02023	1.3
123.04210	0.7
124.02444	4.7
132.47992	0.6
137.02975	16.2
142.03516	43.5
143.01913	2.4
143.03625	0.7
156.57144	0.6
160.04596	9.3
161.02969	35.7
161.04326	1.7
163.49419	0.7
176.42642	0.7
179.04028	42.4
184.04626	2.1
196.04820	0.7
202.05583	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0704
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
55.05512	1.2
60.04546	0.4
67.05512	2.5
69.07070	2.6
70.29569	0.4
79.05505	1.1
79.54456	0.4
81.07063	5.5
83.08618	0.4
86.09731	0.4
91.05494	2.7
93.07050	2.7
95.08623	7.6
95.09231	0.6
102.90081	0.4
104.06226	0.5
105.07043	9.7
107.08604	4.0
109.10163	4.8
115.05467	8.8
115.99914	0.3
117.07027	2.7
119.08591	8.8
121.10142	3.8
123.11716	1.1
128.06223	1.0
129.06984	1.1
131.04922	2.0
131.08546	0.7
132.05728	7.8
133.10138	8.1
135.11728	0.7
143.04933	6.6
143.08524	0.7
144.05664	1.0
145.06448	2.0
145.10129	1.3
147.08046	1.1
147.11699	11.6
155.06108	0.5
157.06490	1.4
159.11723	0.7
160.05209	54.6
160.12526	1.2
161.05811	1.1
161.13290	3.7
171.04439	1.1
171.08107	0.3
173.05988	0.9
174.06812	0.5
175.07567	33.9
175.14832	1.5
176.07823	0.5
185.05971	0.5
185.13310	0.5
188.04727	7.5
188.08257	0.6
203.07048	100.0
203.14337	1.1
203.17976	18.5
204.07388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1069
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03949	1.4
55.01876	1.1
55.05516	2.3
56.96581	0.8
60.04534	0.7
62.89351	0.7
67.05506	6.2
69.03434	1.8
69.07069	1.7
69.61144	0.6
69.61481	4.2
79.05493	7.0
81.07059	6.0
83.05022	0.8
91.04951	1.3
91.05485	11.9
93.07047	5.0
95.04973	2.8
95.08601	5.2
97.02896	9.9
97.05973	0.6
97.06564	1.8
98.97607	1.5
99.40766	0.7
103.05507	0.8
105.07037	35.9
106.07854	0.8
107.04969	1.4
107.08618	3.2
109.02891	2.0
109.06540	2.2
109.10166	3.4
115.05465	5.9
116.06229	1.1
116.98636	0.6
117.07031	10.6
119.04958	1.2
119.08601	14.5
121.06482	3.7
121.10169	1.9
123.08047	0.7
123.11693	0.7
128.06239	6.2
129.07016	23.8
130.07776	3.8
131.08577	25.9
132.05792	1.1
133.06512	2.5
133.10143	7.3
137.06052	0.9
141.06996	5.9
142.07787	58.2
143.04951	2.2
143.08575	20.9
144.04453	9.2
144.09346	9.5
145.06487	3.8
145.10101	2.2
147.04373	0.8
147.08096	1.4
147.10625	1.1
147.11693	9.0
155.06125	0.9
155.08554	1.4
156.09392	0.9
157.10138	100.0
158.10809	2.4
159.08054	2.0
159.11702	26.6
160.05176	9.0
160.08826	1.0
161.05968	1.2
161.09584	4.6
161.13226	1.3
163.49121	0.7
167.08589	1.9
167.10686	0.6
169.07669	1.1
170.07262	1.5
175.07574	5.7
175.11185	8.5
175.14865	0.7
185.09625	30.7
187.11140	0.7
188.04669	0.7
188.08383	1.0
203.07072	16.1
203.10680	47.0
203.14383	2.8
203.17987	8.5
204.08658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1069
Annotation	Ligujapone
Peak:m/z	Relative Intensity
50.31824	0.8
52.95059	0.7
53.03939	1.2
55.01872	1.1
55.05499	1.6
56.96558	1.4
60.04516	1.5
65.03937	1.5
65.42655	0.7
67.05522	5.3
67.64597	0.9
69.03411	2.1
69.07059	1.7
71.56351	1.1
73.02902	1.0
73.51927	0.8
79.05502	6.3
81.07050	6.2
83.04970	1.1
91.05494	11.7
93.07063	6.2
95.04997	3.9
95.08618	5.4
97.02908	10.4
97.06532	2.2
98.97569	1.7
103.05484	0.9
105.07038	39.9
107.05000	0.8
107.08585	3.7
108.68640	0.9
109.02866	2.4
109.06506	1.4
109.10146	3.5
111.02820	0.8
111.04433	1.1
115.05461	7.1
116.06227	1.4
116.98650	1.0
117.07032	12.6
119.08598	15.1
121.06503	4.0
121.10145	1.7
123.11701	1.3
128.06241	6.0
129.07019	23.1
130.07793	3.4
131.04866	0.9
131.08582	30.6
132.05693	1.3
133.06485	3.2
133.10126	7.2
141.06953	6.0
142.07788	61.0
143.04909	1.0
143.08577	20.4
144.04466	9.4
144.09363	11.3
145.06496	3.8
145.10126	2.9
147.04410	1.3
147.08044	0.9
147.11694	8.4
155.06055	1.0
155.08607	1.2
157.10139	100.0
158.10846	3.3
158.99590	0.8
159.08104	1.7
159.11697	27.4
160.05186	7.8
161.05913	2.0
161.09599	4.6
161.13280	2.6
167.08566	1.4
169.07652	1.3
170.07269	3.3
175.07513	5.7
175.11232	8.4
175.14886	1.0
184.62912	0.8
185.09630	34.5
188.04604	1.1
188.08450	1.1
203.07056	14.9
203.10678	43.8
203.14293	3.1
203.17984	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	203.128
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.52257	3.0
50.79810	3.5
51.26092	2.9
53.03933	5.9
55.01867	5.7
55.05514	38.4
56.96566	8.2
57.03438	9.7
57.07077	5.0
59.05006	30.3
61.02936	5.0
67.05508	26.7
69.03439	34.0
69.07069	35.3
69.46117	21.5
71.01337	2.7
71.04997	31.9
79.05498	46.4
81.03410	3.9
81.07060	73.1
83.04985	64.6
85.02921	6.4
85.06537	8.4
87.04462	21.1
88.44006	2.7
91.05478	22.9
93.07043	48.4
95.04977	36.3
95.08609	44.4
97.02898	6.8
97.06535	47.3
97.10172	6.8
97.46070	2.8
98.97569	15.8
99.08107	5.2
101.06023	2.7
105.07030	19.1
107.04962	4.4
107.08599	100.0
109.06537	21.3
109.10159	52.3
111.04437	6.3
111.08080	7.7
111.11694	3.6
113.06014	17.5
113.09641	8.7
115.07570	3.7
119.04884	3.5
119.08584	4.7
121.06483	5.9
121.10149	74.1
123.08071	39.2
125.05985	12.8
125.09637	55.6
127.07545	6.6
129.07034	3.7
131.05411	3.9
131.08565	7.5
136.08835	14.5
137.09627	43.2
139.11189	55.7
139.60104	2.6
141.09055	4.9
147.04424	12.0
149.09634	24.1
155.10706	24.8
157.06528	5.3
157.12286	7.6
158.99730	3.4
162.03615	3.6
167.10677	90.0
173.06421	3.4
177.00648	2.5
185.06078	4.4
185.11702	18.5
194.06926	3.1
203.07510	37.1
203.10663	2.7
203.12752	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1279
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.03942	3.6
55.05519	38.2
55.59972	2.2
57.03438	4.2
57.07082	3.5
58.05661	2.2
59.05006	20.7
61.02897	2.9
64.76283	2.5
65.03954	2.8
67.05507	18.8
68.17116	2.5
69.03141	2.4
69.03438	32.2
69.06777	2.6
69.07079	31.3
69.60204	14.9
71.05007	23.5
71.85611	2.9
79.05504	37.2
81.07060	55.9
82.80325	2.6
83.04986	48.7
85.06548	3.5
91.05473	16.5
93.07059	27.0
95.04973	26.0
95.08617	40.5
97.06538	34.8
97.10188	8.5
99.04491	3.3
105.07030	16.5
106.97355	2.4
107.07877	5.8
107.08605	100.0
109.06516	25.4
109.09463	4.3
109.10170	68.9
111.08072	4.8
111.11750	3.5
113.09653	4.9
115.07569	5.1
119.08617	2.9
119.19382	2.1
121.06502	6.8
121.10163	58.3
123.08083	57.7
125.06009	4.3
125.09639	54.0
125.10540	3.4
127.11230	3.0
129.07097	2.4
131.08577	5.9
135.06509	2.4
136.08850	15.0
137.09633	40.0
139.11192	47.3
141.09131	6.3
149.09648	15.2
154.09163	4.2
155.10655	19.6
157.12209	3.8
163.87372	2.5
167.10699	98.1
185.11713	13.6
212.47214	2.5
216.73503	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	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05513	7.4
57.07070	1.7
60.27877	0.8
65.03943	1.2
67.05509	11.5
69.06725	1.3
69.07074	18.2
70.85620	2.6
71.77006	0.9
79.05502	6.6
81.07065	68.2
83.08604	4.7
83.85659	0.9
88.43295	0.9
91.05483	13.1
93.07050	13.7
95.08615	37.5
97.10153	1.3
105.07036	54.2
107.08600	17.9
109.10162	24.3
117.07030	2.9
119.08588	45.9
121.10145	13.8
123.11715	10.5
131.08571	2.6
133.10139	31.8
135.11725	4.6
145.10141	7.3
147.11699	100.0
159.11653	2.2
160.12491	3.6
161.13271	17.6
168.93391	1.1
175.14880	6.0
183.73785	0.9
203.17975	89.9
204.18333	1.1
213.40366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03930	1.0
55.05514	8.9
57.07075	2.6
59.61164	0.9
60.04518	1.5
67.05505	11.1
69.07075	12.2
69.57269	6.2
71.41520	0.8
79.05504	7.5
81.07065	17.0
83.08638	4.8
83.09061	1.2
84.04506	2.2
91.05484	13.7
93.07055	15.6
95.08611	36.0
96.04498	1.4
97.10186	2.6
100.02457	1.6
105.07037	54.6
107.08603	22.1
109.10164	22.1
114.05524	1.5
117.07011	2.3
118.03500	1.1
119.08594	55.8
121.10159	16.9
122.96064	1.0
123.11696	4.1
126.05505	3.1
131.08582	4.2
133.10138	55.9
135.11661	4.7
145.10152	6.6
147.11694	57.6
159.11694	3.7
160.12486	4.1
161.13278	26.6
173.13184	0.9
174.14024	1.9
175.14853	10.4
175.22050	1.0
178.67468	1.3
185.13361	1.4
188.15483	1.5
197.99171	1.4
203.05287	1.1
203.06931	1.8
203.10707	5.0
203.14627	2.4
203.17972	100.0
204.08681	2.3
204.13875	1.5
204.18292	1.1
216.68292	1.1
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
53.03973	1.2
55.05514	8.7
57.07076	1.8
60.04512	1.3
62.45698	0.8
67.05507	9.8
69.06723	0.9
69.07071	10.7
69.19530	1.2
69.19924	6.9
79.05499	4.0
81.07063	11.9
83.08623	2.9
84.04505	2.0
91.05487	10.0
93.07043	8.3
95.08616	27.3
95.09230	1.3
97.02875	1.1
97.10169	1.9
105.07043	36.1
107.08604	17.9
109.09464	1.4
109.10165	20.9
117.07014	2.0
119.08590	47.3
121.10166	11.1
123.11716	3.0
126.05511	2.8
129.06998	0.9
131.08588	5.5
133.10141	57.9
135.11705	4.0
144.06514	0.9
145.10127	7.5
146.10825	0.9
147.11697	46.5
150.47932	0.7
159.11696	5.9
160.12471	2.1
161.13274	22.5
169.92622	0.7
173.13309	2.0
174.14087	2.7
175.14867	7.3
203.07074	1.4
203.10603	1.4
203.14314	3.5
203.17975	100.0
204.08669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05516	6.8
56.96555	3.9
57.07057	2.8
60.04524	2.6
65.03944	1.3
67.05508	11.5
68.05019	1.0
69.06721	1.3
69.07068	15.4
70.86605	2.1
79.05502	6.9
79.71735	1.0
81.07063	27.0
83.04978	1.1
83.08614	3.9
83.47962	1.1
84.04487	2.3
91.04968	1.5
91.05482	14.2
93.07056	14.7
95.08613	29.9
95.09222	1.5
96.04513	1.3
97.02892	2.7
97.10145	2.1
100.02483	3.6
100.08119	0.9
105.07037	49.6
107.08601	17.8
109.06520	1.3
109.10167	22.0
114.05533	1.8
117.07018	2.6
118.03555	2.1
119.08588	43.6
121.06490	1.3
121.10155	14.0
123.11730	6.0
125.11641	1.0
126.05508	4.0
129.06967	1.4
131.08548	5.0
133.06506	1.5
133.10141	40.4
135.11691	3.6
142.07806	1.8
143.08527	1.8
144.09279	1.2
145.10118	8.5
147.11697	60.1
157.10155	3.6
159.11696	4.3
160.12497	4.9
161.09579	2.0
161.13274	19.5
170.10930	1.2
174.14079	1.5
174.98586	1.3
175.07530	1.1
175.14845	6.4
185.09624	1.4
185.13266	1.8
197.99188	1.7
203.07034	3.7
203.10715	5.3
203.14479	8.2
203.17969	100.0
204.08662	3.1
204.13956	1.4
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
53.03938	1.2
55.05516	9.5
57.07064	2.7
60.04538	1.8
67.05233	0.8
67.05520	11.4
68.05032	1.0
69.06783	0.9
69.07079	11.3
71.57666	1.7
79.05508	5.6
81.03418	1.1
81.07069	18.5
83.08634	6.0
84.04490	2.5
91.05488	14.3
93.07051	12.9
95.08620	38.3
96.04468	1.6
97.02914	1.3
97.06485	1.3
97.10162	1.6
103.05459	1.3
105.07042	59.1
107.08612	20.4
108.52646	1.0
109.09460	1.7
109.10168	24.3
114.05548	1.6
114.10159	1.0
117.07027	3.8
118.23307	0.8
119.08597	51.5
121.10155	20.2
123.11710	4.5
126.05534	2.8
129.07045	1.2
131.08615	4.4
132.09412	1.5
133.06534	1.1
133.10144	52.6
134.34428	0.9
135.11740	4.7
143.08582	1.2
144.06561	1.2
145.10143	7.4
147.11707	64.1
157.10152	1.4
159.11711	5.0
160.12483	3.6
161.09558	1.2
161.13278	26.1
173.13249	1.2
174.14116	1.0
175.14862	8.4
203.05334	1.5
203.07088	2.5
203.10669	2.3
203.14316	3.5
203.17979	100.0
204.08673	2.2
204.18242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05513	8.7
57.06829	1.0
57.07079	15.0
67.05183	0.8
67.05510	11.2
67.09125	0.8
69.06779	0.9
69.07074	10.0
70.93572	0.9
70.93899	1.5
70.99760	0.8
78.40920	0.8
79.05482	3.2
81.07059	14.2
83.08626	4.6
84.04501	2.0
91.05487	10.7
93.07047	7.5
95.08610	27.3
96.04484	1.9
97.02888	1.6
98.76486	0.8
100.02469	1.6
103.83890	0.8
105.07035	41.5
107.08603	14.4
109.10159	24.3
117.06990	2.1
119.08586	60.6
121.10149	11.7
123.11707	3.7
126.05521	3.0
128.06230	1.3
129.07022	2.0
131.08557	3.5
133.10135	63.3
135.11691	3.6
145.10149	7.9
147.11693	84.4
157.10101	1.2
159.11668	4.6
160.12479	3.6
161.13268	40.4
173.13330	1.5
174.13976	1.5
175.07526	1.2
175.14851	6.7
185.06027	1.0
185.13335	1.0
188.15602	1.2
203.05405	1.3
203.07051	3.8
203.10658	3.4
203.17969	100.0
204.08629	1.7
204.13818	1.0
204.18312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03942	1.1
55.05511	8.5
57.07076	2.9
61.89944	0.8
66.24317	0.8
67.05518	12.8
69.07078	21.6
69.53694	6.9
74.17093	0.9
75.66498	1.0
79.05505	7.7
81.07066	69.7
83.08618	4.0
91.05486	13.8
93.07055	14.6
95.08616	40.5
95.09126	0.8
95.09232	1.7
97.10169	1.4
98.20747	2.0
99.21403	0.8
105.07043	66.1
107.08599	13.9
109.10165	33.2
117.07008	2.8
119.08593	61.1
121.10155	18.0
123.11735	13.9
131.08575	3.9
133.10143	37.4
135.11700	5.6
145.10150	8.5
147.11703	100.0
159.11681	3.6
160.05222	1.6
160.12483	4.7
161.13286	20.5
175.07477	1.2
175.14827	3.9
188.49141	0.9
203.07018	2.9
203.17976	92.4
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	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.04259	0.7
52.20778	0.7
53.03940	1.1
54.23822	0.6
55.05517	5.5
57.07064	2.3
67.05232	0.7
67.05514	8.1
67.97427	0.6
68.61401	0.8
69.06724	0.9
69.07072	10.5
69.07424	1.3
69.09958	0.7
70.25292	0.6
71.19272	1.3
71.19646	0.6
74.39736	0.7
79.05502	3.5
81.07063	11.4
83.08619	3.9
84.04490	0.7
91.05489	11.5
91.35413	0.6
93.07056	8.8
95.08613	30.5
97.02919	0.9
97.10175	1.5
103.05507	0.7
105.07037	34.3
107.08598	16.0
109.10161	18.0
119.08586	42.1
121.10139	10.9
123.11702	2.5
126.05487	0.7
131.08549	2.9
133.10138	38.0
135.11670	2.6
145.10077	4.4
147.11690	39.3
153.13545	0.8
159.11708	2.0
160.12498	1.9
161.13263	15.8
173.13232	1.1
174.14073	1.7
175.14847	7.2
203.06993	0.9
203.17966	100.0
204.18324	0.9
205.35191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05511	6.9
56.96555	1.9
57.07076	12.5
60.04511	3.4
65.03939	1.0
67.05506	10.9
68.74943	0.8
69.06780	1.1
69.07070	9.9
70.09068	4.2
79.05497	4.9
81.07056	14.4
82.01443	2.2
83.08607	5.3
84.04494	3.2
91.05479	11.7
91.49936	0.8
93.07048	9.3
95.08610	33.3
96.04495	1.7
97.02890	2.8
97.10130	1.0
100.02499	5.2
105.07032	44.0
107.08602	17.9
109.09462	1.5
109.10154	20.4
110.59341	0.9
115.05463	1.2
117.07030	3.1
117.14542	0.9
118.03493	2.3
119.04957	1.0
119.08585	55.8
121.06514	0.8
121.10145	12.2
123.11704	3.3
126.05501	2.5
130.64108	0.9
131.08553	4.7
132.09387	1.1
133.06558	1.0
133.10136	51.3
135.11699	2.6
142.07776	1.4
143.08568	8.0
145.10138	8.7
146.10774	1.4
147.08040	1.7
147.11691	78.9
157.10112	2.6
159.11711	6.0
160.12476	3.4
161.09637	1.2
161.13268	37.5
171.04433	1.0
174.14070	2.0
175.07539	1.7
175.14845	7.3
179.98041	1.8
185.13251	2.8
197.99118	4.9
203.03648	1.0
203.07040	3.4
203.10640	2.5
203.14365	14.3
203.17964	100.0
204.08723	2.5
204.13802	2.2
204.18167	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03939	1.9
55.01865	1.1
55.05512	14.5
56.96561	0.9
57.07068	3.3
60.04506	0.9
60.98373	0.9
62.28780	0.9
62.37363	0.9
67.05167	1.6
67.05505	22.0
67.59416	0.9
69.03410	1.0
69.07072	32.4
70.05988	2.8
70.06406	1.9
70.72374	1.0
71.04999	1.4
76.29873	1.0
79.05493	10.6
81.07061	56.6
83.08632	10.7
84.04501	1.5
91.05486	16.5
92.48728	1.0
93.07053	21.0
95.04992	1.8
95.08611	55.6
97.02928	1.2
97.10180	2.4
98.21040	1.6
103.05503	1.2
105.07034	61.9
107.08604	32.3
109.10165	46.0
110.98907	1.0
111.11694	1.0
117.06965	4.5
119.08585	57.7
121.06532	1.4
121.10151	21.1
123.11724	21.9
129.07002	1.9
131.08533	4.4
133.06509	1.6
133.10136	42.0
135.11684	8.9
139.01230	1.0
141.07001	1.1
142.07756	4.5
143.08559	3.1
145.10135	11.1
147.11694	76.2
148.12466	2.0
157.10106	6.8
159.11708	5.5
160.12471	5.5
161.11963	1.8
161.13277	25.5
170.87581	0.9
173.13388	1.1
175.11221	0.9
175.14807	5.3
175.52695	0.9
185.09673	2.0
185.13251	1.1
203.07014	2.2
203.10759	6.1
203.14352	6.5
203.17966	100.0
204.08719	1.5
204.18289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.62727	0.9
53.03952	1.2
55.05514	7.4
57.07056	1.9
58.28812	0.8
67.05510	14.6
69.07070	15.2
69.24754	6.1
69.25172	2.5
79.05494	8.3
81.07063	51.8
83.08625	4.2
91.05482	13.4
93.07048	16.2
95.08614	43.4
97.10176	1.4
100.02467	1.5
105.07040	54.5
107.08599	23.7
109.10159	38.6
117.07028	2.1
119.08590	55.3
121.10162	14.7
122.84006	0.9
123.11716	11.0
131.08580	3.6
133.10139	35.8
135.11696	4.2
143.04871	1.0
145.10150	7.4
147.11696	83.1
159.11697	2.9
160.12514	4.0
161.13266	20.9
165.96342	0.9
170.03804	1.0
175.07597	2.3
175.14859	9.9
175.18886	1.2
189.37199	0.9
203.05269	1.0
203.07034	2.6
203.17972	100.0
204.18239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03938	1.4
55.05511	7.9
55.45490	0.7
57.07071	2.3
60.04504	1.6
65.03931	0.9
67.05508	14.9
69.06726	1.2
69.07070	16.1
69.70171	5.5
71.04989	0.9
75.63747	0.7
77.78475	0.9
79.05497	8.5
81.07060	59.5
82.01403	1.1
83.08621	5.5
91.05482	13.8
93.07047	15.3
95.04980	1.6
95.08610	44.3
97.10143	1.4
98.21464	1.8
100.02493	1.9
105.07037	49.2
107.08593	22.2
109.10161	37.3
110.97512	1.0
115.05441	1.5
117.07024	1.6
118.07851	0.9
119.08584	42.5
120.98032	0.9
121.10142	18.1
123.11686	8.1
126.05515	1.3
128.06192	1.3
128.98636	1.2
129.07033	1.4
131.08565	4.7
133.10138	32.8
135.11734	5.3
137.51779	0.8
145.10136	5.9
147.11691	88.8
157.10046	1.0
159.11697	1.7
160.05161	1.1
160.12506	5.4
161.09589	1.1
161.13280	16.2
162.30101	1.0
173.13245	1.0
175.07497	1.9
175.14796	4.7
203.07025	4.7
203.10690	2.5
203.14296	3.3
203.17964	100.0
204.18204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1596
Annotation	L-2-amino-8-hydroxydecanoate
Peak:m/z	Relative Intensity
55.01864	2.2
55.05506	10.1
56.96556	1.8
57.03450	5.4
57.07061	1.9
58.06594	4.8
59.04989	2.9
60.04531	21.2
60.05332	2.2
65.03925	1.2
67.05171	1.2
67.05509	16.6
68.05020	2.2
69.03425	4.2
69.07065	19.1
70.06596	31.1
70.14251	3.8
71.01340	2.5
71.04987	7.1
72.04504	1.7
73.02900	2.7
79.05492	4.5
81.03441	2.2
81.07059	33.3
82.06575	3.0
82.07381	1.4
83.04975	4.1
83.08617	9.3
84.04514	7.5
84.05290	1.6
84.08121	2.2
85.02887	5.0
85.06543	2.1
87.04452	3.1
88.04833	1.3
91.05478	12.0
91.09538	1.0
92.74930	1.0
93.07056	7.6
94.06550	1.8
94.07383	1.4
95.04980	1.6
95.08597	4.2
96.04489	5.1
96.05242	0.8
96.08939	1.1
97.02891	6.8
97.06510	1.8
98.09720	1.6
98.97597	4.8
99.04449	2.6
99.08100	1.8
102.96860	2.0
103.05482	1.7
105.03392	0.9
105.07033	7.8
107.04935	1.7
107.08597	11.7
108.08195	1.0
108.08932	2.3
109.02888	1.9
109.06496	2.1
109.10161	24.1
109.10908	1.4
110.06055	1.8
110.97546	1.9
111.07348	1.0
112.07616	1.1
113.06010	2.2
114.05521	4.0
114.06277	1.0
115.05460	1.9
116.98577	1.2
117.07007	1.9
119.01900	1.6
119.04945	4.0
120.97930	1.3
121.06503	4.0
121.96644	1.9
122.10489	2.3
123.11710	27.1
125.09644	1.4
126.05519	8.0
126.09152	2.4
127.07509	1.4
129.07016	1.4
131.01848	2.9
131.04941	4.1
131.08572	4.0
133.10141	23.2
138.05502	3.1
139.11223	1.3
140.11520	1.5
141.06998	3.6
143.01833	1.0
144.04466	2.1
144.05591	1.9
144.06590	1.4
144.15038	1.0
147.04407	9.6
148.04778	1.0
149.02367	1.5
150.10007	1.9
150.12801	4.3
151.11188	19.2
159.08089	3.9
161.04578	1.0
168.06573	1.8
168.13847	83.5
169.12247	8.7
176.07098	1.4
186.06258	1.0
186.14899	100.0
187.07526	10.2
188.07080	2.2
188.76805	1.1
204.06631	6.5
204.08685	9.1
204.13866	7.7
204.15958	40.5
205.04951	1.3
205.06812	2.0
205.08614	2.6
219.01680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.9
56.96558	1.0
57.03434	1.6
58.71785	0.9
61.02923	2.8
69.03421	2.7
69.72818	5.9
72.08163	8.2
73.02907	3.8
78.95302	1.4
85.02908	3.4
97.02882	2.7
97.08870	0.9
98.97567	1.1
101.00896	3.2
110.52399	0.9
113.00895	1.0
119.01917	2.5
119.97892	1.4
120.26857	0.9
120.65842	0.9
120.90968	0.9
121.04207	1.4
123.97488	0.9
129.03036	1.2
131.01918	1.9
140.95232	1.4
143.01904	1.7
157.03508	1.7
161.02893	1.5
163.02737	1.4
163.04507	1.4
163.96875	3.1
181.97908	1.2
184.05838	3.2
205.06876	100.0
223.06703	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	205.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68542	0.8
65.24921	1.0
71.53999	1.8
73.02916	0.9
97.02893	1.2
114.02148	0.9
143.11783	1.1
145.40726	1.0
171.21887	0.9
205.06854	100.0
223.81053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86920	0.5
64.36337	0.7
69.91839	2.3
69.92250	1.3
113.44611	0.7
193.03996	0.6
205.06859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0861
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
53.03943	0.7
54.34254	0.5
55.05521	0.7
57.07076	1.5
61.17954	0.5
65.03949	0.5
67.05496	0.7
68.12979	0.5
69.03444	0.8
69.07076	2.6
71.31283	0.5
71.58208	1.2
79.05482	1.0
81.03428	1.8
81.07042	1.5
85.02922	1.1
89.03938	1.1
91.05497	7.4
93.07045	2.0
95.04972	0.6
95.08605	1.2
97.02890	2.9
102.04713	2.1
103.05475	9.6
103.24151	0.5
105.03383	0.5
105.07029	3.3
107.08622	1.8
109.02874	2.6
109.10180	1.4
115.05462	56.8
116.06305	0.7
117.03384	1.2
117.07027	61.0
119.08556	0.8
121.02845	0.6
121.06496	1.2
121.10161	1.8
123.11687	0.6
127.03911	0.7
127.05457	1.6
128.06297	0.7
129.07018	1.9
130.04155	7.4
131.04915	3.0
131.08580	0.9
132.05731	1.3
133.91878	0.5
134.03647	0.8
135.04410	3.4
135.11713	1.7
137.06004	2.4
143.04947	2.4
144.05731	3.0
145.02863	5.5
145.06496	100.0
145.10175	2.5
146.06842	1.1
147.04460	1.8
147.08078	1.0
147.11711	0.6
149.02367	5.5
149.05988	4.8
149.13261	2.0
155.06050	26.4
159.04471	0.6
159.11729	1.5
160.05205	6.0
161.05994	4.1
162.03101	0.5
162.91267	0.6
172.05231	1.1
173.02383	1.8
173.05997	72.2
174.06270	0.8
175.03941	1.3
175.07558	11.5
177.05551	3.2
177.09152	0.6
187.03854	0.6
187.07565	6.4
187.11163	0.6
190.06265	8.2
205.05002	7.1
205.06987	0.9
205.08620	20.8
205.12184	3.1
205.15883	1.5
205.19568	1.0
209.48834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.086
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
51.10749	0.5
53.03960	0.5
55.01876	6.8
60.13613	0.4
65.03953	0.5
69.03426	0.6
69.78268	2.4
71.01350	8.6
71.01712	0.5
81.03444	0.5
91.05482	21.5
97.02893	0.6
103.05482	1.7
105.07050	1.3
115.05457	12.9
116.06242	5.4
117.07030	10.9
121.06567	0.6
121.10150	0.7
128.06204	4.3
129.07018	11.7
129.07912	0.9
131.04950	6.5
131.08572	32.0
133.06496	0.8
141.06992	35.5
144.05707	15.8
145.02864	0.8
145.06482	4.5
146.06030	1.3
149.02359	1.5
149.05971	0.6
149.09673	1.6
155.06087	0.9
157.06503	5.5
158.07283	7.5
159.08058	43.1
168.05711	0.8
169.06488	8.9
169.07680	4.1
173.05872	0.5
177.05553	0.5
177.09096	3.5
183.41220	0.5
187.07549	100.0
188.07164	1.7
205.08604	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	205.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96053	0.5
57.07082	1.0
60.04517	0.5
64.43382	0.6
69.03442	1.1
70.06631	0.5
70.46068	0.5
71.58689	1.0
72.77162	0.5
75.20875	0.5
81.03415	3.4
82.90816	0.6
91.05490	5.9
97.02903	1.6
99.04443	0.9
102.04691	2.6
103.05482	9.2
105.07072	1.2
106.49045	0.6
109.02860	1.4
115.05466	61.7
117.07026	66.3
127.03887	0.8
127.05444	1.9
128.06218	0.8
129.07007	1.5
130.04164	5.7
131.04947	2.4
131.08543	0.6
135.04433	0.9
137.05994	2.6
143.04936	2.7
144.05722	3.1
145.06496	100.0
145.10155	1.7
147.04443	2.4
149.02345	4.2
149.05981	1.2
155.06049	26.8
160.05208	7.3
161.05983	4.7
172.05200	1.7
173.06000	80.3
175.03893	2.2
175.07573	12.0
177.05489	1.3
177.09134	0.7
187.05920	0.8
187.07558	7.8
190.04633	0.8
190.06276	11.1
205.05112	2.9
205.06836	1.2
205.08607	21.6
205.12215	1.4
205.15791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.086
Annotation	Frustulosinol
Peak:m/z	Relative Intensity
57.07102	0.6
59.50930	0.6
67.05488	0.7
81.03412	2.5
81.07043	1.0
91.05479	2.7
97.02886	2.6
98.21703	0.9
103.05476	2.5
105.07063	0.6
107.08580	0.7
109.02876	1.2
115.05460	31.3
116.06237	1.6
117.06223	1.2
117.07028	21.4
119.08592	0.8
121.10099	0.9
122.03655	1.6
128.06210	0.8
128.22725	0.6
129.06969	2.1
130.04131	1.5
131.04945	1.6
131.08530	1.3
132.05727	2.3
132.27945	0.6
137.05988	15.2
143.04933	13.3
144.05714	11.5
145.02863	0.7
145.06499	23.1
145.10193	1.5
147.08044	1.4
149.02347	2.5
149.13237	0.8
155.06052	5.0
156.37611	0.6
157.06578	0.7
159.08089	1.0
160.05208	44.0
161.05954	2.3
172.05196	9.7
173.06006	17.3
173.07509	0.8
174.06673	0.7
175.07559	100.0
176.07895	0.7
177.05499	0.7
177.09140	1.6
187.07549	48.1
188.07951	0.7
190.06273	3.1
205.04970	2.3
205.06731	1.0
205.08575	11.3
205.11935	0.9
205.16025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
52.44994	0.4
54.23748	0.4
64.93814	0.4
69.85827	2.3
74.02445	1.5
76.48455	0.5
86.66672	0.4
91.05522	1.0
97.02906	0.6
104.79605	0.5
115.05428	2.2
117.05757	1.1
117.07016	2.6
118.06549	40.7
119.06898	0.5
119.29097	0.4
130.06543	2.8
132.08096	10.9
142.06509	4.0
143.07312	5.9
144.04445	1.0
144.08095	21.6
146.06015	92.1
147.06313	0.8
149.02359	1.2
150.64723	0.4
155.06107	0.6
159.09190	9.8
160.07564	1.4
168.37006	0.5
170.06029	7.2
188.07072	100.0
189.07463	0.6
205.06854	0.8
205.09828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
53.03952	0.5
55.05519	0.7
67.05518	1.3
69.03428	4.3
69.07075	1.0
70.42589	1.4
71.05003	4.2
79.05485	2.3
81.03413	1.1
81.07060	2.6
83.01376	0.4
85.02921	1.0
91.05486	6.5
93.07059	3.6
95.04982	1.2
95.08595	1.0
97.02877	2.1
97.06517	0.7
99.04469	5.3
103.05473	0.6
105.07038	22.4
107.04967	0.9
107.08595	4.3
109.02877	0.9
109.06524	3.3
111.04474	0.4
115.05448	1.0
117.07027	9.7
119.08591	5.7
121.06519	4.8
121.10137	0.9
121.19816	0.5
123.04423	0.6
128.06247	1.2
129.07024	2.0
130.07791	5.9
131.08577	7.6
133.06499	0.6
133.10117	1.5
135.08093	1.3
135.11584	0.6
141.06975	0.5
142.07849	0.5
143.08585	3.7
144.09352	5.2
145.06459	1.2
145.10130	100.0
146.10513	0.8
147.08080	1.1
147.11681	0.7
149.02373	1.2
149.05966	1.7
157.10156	0.7
159.08109	2.9
159.11700	30.3
163.07553	1.7
163.11208	2.7
169.10153	0.9
172.08897	0.7
173.80922	0.5
175.11160	1.0
177.12770	6.2
187.07513	0.6
187.11198	6.8
205.12250	34.9
206.12668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01879	1.2
55.05518	1.4
57.03450	0.8
57.07078	0.8
59.05002	0.6
61.02925	0.6
67.05511	1.7
68.24252	0.5
69.03442	5.7
69.07076	1.1
69.73890	2.9
71.04999	1.5
79.05509	1.7
81.03426	1.1
81.07066	2.1
83.04994	5.2
85.02909	4.0
91.05487	4.5
92.53890	0.6
93.07059	4.2
95.04984	2.0
95.08618	1.7
97.02901	2.3
97.06543	0.8
99.04459	1.0
103.05497	0.7
105.07037	7.2
107.04965	1.9
107.08610	3.6
109.02898	1.6
109.06533	3.7
109.10174	0.8
115.05479	0.9
117.07018	4.0
119.08581	7.4
121.06512	7.0
121.10153	6.3
121.77446	0.5
123.08080	5.7
123.98165	0.5
127.03974	0.7
128.06218	0.8
129.07021	1.5
130.07823	1.8
131.04962	1.0
131.08568	2.6
133.10167	1.8
135.04425	2.1
135.08078	2.6
135.11705	1.8
137.09605	1.0
141.07030	0.9
143.08546	1.2
144.09332	0.9
145.06541	1.3
145.10129	23.6
146.06084	0.8
146.07262	1.8
147.08058	22.7
147.11699	2.4
149.02370	3.5
149.05992	9.3
149.09703	0.9
154.00429	0.6
159.04410	0.6
159.08008	1.0
159.11693	4.8
161.09631	9.3
161.13222	0.6
162.10411	10.2
163.11195	100.0
164.11534	0.7
172.08894	1.4
173.97353	0.6
175.07596	0.8
177.05348	0.7
177.12781	1.7
187.07578	2.1
187.11105	2.5
187.14809	1.1
188.07082	1.0
190.09860	0.9
205.04988	1.6
205.08734	1.6
205.12254	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
50.13013	0.5
53.03957	1.2
55.05508	1.2
57.07065	0.6
67.05511	0.8
69.03443	6.4
69.07092	0.6
70.62746	1.6
71.04998	3.2
72.09935	0.5
76.74850	0.5
79.05505	2.1
81.07054	2.1
81.86890	0.5
85.02927	1.0
88.45589	0.5
91.05492	9.0
93.07059	17.8
95.05003	1.7
95.08639	0.6
97.02891	2.1
99.04466	3.8
103.05513	1.4
105.07043	22.8
107.08621	5.2
108.83451	0.5
109.02859	0.9
109.06550	2.5
111.04441	0.6
115.05447	1.5
116.06323	0.7
117.07040	8.9
117.68519	0.5
119.08598	8.1
121.06522	37.7
121.10139	1.5
128.06163	0.9
129.07018	3.8
130.07813	6.9
131.08578	8.2
133.10146	2.0
135.08092	1.3
135.11678	1.8
142.36896	0.6
143.08562	4.2
144.09361	4.2
145.06516	1.3
145.10141	100.0
147.08044	1.6
149.02370	1.6
149.06000	5.3
154.94238	0.6
157.10138	0.8
159.08089	3.3
159.11708	31.3
161.09669	1.2
163.07565	1.9
163.11240	6.8
169.10085	0.8
172.08833	1.5
175.11353	0.7
177.09155	0.5
177.12790	7.1
187.11238	7.2
205.12265	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03947	0.8
55.01869	0.7
55.05502	1.5
55.05770	0.4
56.68233	0.4
56.96572	0.6
57.03426	0.4
57.07074	0.8
65.03931	0.9
67.05508	1.5
69.03436	1.1
69.07064	0.5
70.64202	0.9
71.04995	3.6
76.41428	0.3
79.05487	2.4
81.03417	0.8
81.07063	3.0
83.04967	0.4
85.02906	1.2
91.05482	8.0
92.05016	1.0
93.05363	0.8
93.07040	3.1
95.04964	0.9
95.08611	0.8
97.02903	4.1
98.21416	0.6
99.04456	9.0
103.05466	1.0
105.07035	20.7
107.08589	3.6
109.02877	2.0
109.06524	0.8
109.10151	0.9
115.05465	1.3
116.06262	0.5
117.05337	1.1
117.07023	9.7
119.08574	7.8
121.02828	0.4
121.06502	2.9
121.10126	2.8
123.08080	0.6
123.11739	0.6
125.05995	0.4
127.03932	0.6
128.06195	0.9
129.07008	3.7
130.07794	6.7
131.08577	10.1
131.09517	0.7
133.06465	0.6
133.10152	1.4
135.08041	0.9
135.11682	1.0
141.06985	0.5
143.08597	4.0
144.04431	1.4
144.09337	4.8
145.04842	6.4
145.06483	1.3
145.10127	100.0
146.10568	0.8
147.08046	4.5
147.11824	0.4
149.02351	4.8
149.06007	2.7
149.13318	0.8
157.10133	0.8
159.08098	1.6
159.11703	32.6
160.12112	0.4
161.09636	0.8
161.13335	0.7
163.07571	2.9
163.11205	3.7
169.10185	1.0
172.08865	0.7
173.04309	1.9
173.08643	0.4
176.07089	0.9
177.07449	8.1
177.08981	0.5
177.12747	1.3
187.11172	5.7
187.14859	0.5
188.07004	0.5
205.04941	1.0
205.06886	4.7
205.08878	1.0
205.12253	42.5
205.19638	0.7
206.12703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1437
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
53.03937	4.9
55.01873	3.9
55.05521	13.7
57.03430	3.9
57.07073	1.9
59.05016	1.9
61.02915	2.3
65.03930	3.0
67.05511	33.5
69.03431	15.5
69.07070	13.1
71.05002	25.8
71.56057	2.0
79.05504	16.5
81.03429	10.1
81.07064	84.5
83.04989	14.9
85.02905	17.3
85.06539	4.0
87.02641	1.6
87.08109	5.9
91.05488	37.4
93.07046	20.1
95.04976	6.9
95.08606	6.4
97.02911	9.7
97.06511	1.9
98.97601	2.6
99.04448	4.4
99.08112	27.7
103.03935	1.8
103.05476	2.0
105.07039	37.9
107.04989	2.6
107.08600	43.5
109.02915	11.1
109.06531	8.9
109.10167	67.8
111.11657	1.8
113.05993	4.0
115.03189	2.2
115.05486	4.4
116.06168	1.8
117.07030	14.6
118.06550	3.8
119.01780	1.6
119.02625	25.9
119.08578	3.3
121.02885	3.0
121.06532	7.8
121.10116	3.0
123.04446	6.3
123.11713	23.7
127.03918	7.7
127.07592	2.7
128.06235	2.3
129.07008	2.2
131.04956	2.9
131.08557	12.1
133.06462	1.8
133.10144	100.0
135.04503	1.7
135.08076	4.7
141.07007	2.2
143.04878	1.4
143.08472	2.4
145.02884	2.0
145.04059	1.6
145.06485	5.5
145.10133	6.0
146.05989	4.9
149.02327	9.9
149.06010	11.5
151.09952	3.3
151.11195	68.2
159.08069	12.2
159.11664	6.3
163.07564	4.3
163.11240	3.6
163.97058	1.4
169.07813	4.8
169.12280	7.1
175.07590	3.3
177.09166	5.9
177.12831	1.8
187.07556	12.5
187.08923	3.5
187.11127	1.9
187.13266	1.9
188.07089	5.0
205.04973	5.2
205.06915	3.2
205.08337	9.5
205.10069	5.2
205.12167	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	205.1436
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
53.03945	1.5
55.05498	6.8
57.07068	2.1
59.04987	2.2
61.00865	1.4
67.05496	6.8
69.03425	2.3
69.07076	14.1
71.00947	2.7
71.01281	2.0
71.05002	23.0
71.23464	1.4
79.05494	15.0
81.07063	100.0
83.04973	10.8
91.05462	3.6
93.07042	4.9
95.04932	2.7
95.08598	3.6
97.06521	5.7
99.04443	1.7
99.08078	4.9
101.06011	6.0
105.07042	3.2
107.08590	14.1
109.06524	2.4
109.10161	20.1
111.08078	4.1
111.11703	7.4
121.10152	4.6
123.11713	28.5
131.08528	2.5
133.10110	5.5
139.11211	12.2
146.06100	1.9
149.02284	2.8
151.11200	16.0
153.31091	2.1
157.12228	6.6
169.12263	19.5
187.07497	2.7
187.13315	6.1
192.48932	1.5
205.06895	2.0
205.12120	2.3
205.14322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1589
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03953	4.0
55.01863	4.7
55.05515	10.0
56.96582	9.2
57.07086	11.6
60.04524	3.1
65.03928	6.2
67.05499	10.3
69.03429	12.5
69.06719	2.4
69.07069	30.9
71.04972	3.7
71.08625	1.9
71.26907	2.4
79.05502	20.6
81.03411	10.9
81.07065	24.8
83.04984	4.6
83.08628	13.1
85.02905	8.2
85.04801	1.7
85.06538	3.1
91.05486	19.2
93.03345	1.7
93.07054	36.9
95.04964	7.2
95.08046	2.7
95.08615	39.6
97.02283	2.1
97.02891	34.2
97.06515	3.3
97.10163	3.8
98.20912	2.8
99.04463	7.2
99.08087	2.4
100.99117	1.7
103.05452	2.6
105.07033	29.3
107.04940	6.2
107.08600	76.9
109.02884	22.9
109.06521	7.6
109.10159	18.8
111.08109	2.2
113.96381	2.3
117.07030	16.3
119.08584	39.7
121.02853	8.2
121.06527	19.5
121.10155	72.1
122.91587	1.8
123.08088	9.7
123.11711	5.8
126.05365	1.8
127.03910	7.9
127.05882	2.8
129.06989	4.3
129.53098	1.5
130.07796	4.8
131.08577	22.6
133.03493	1.9
133.10146	31.9
135.08028	12.1
135.11703	18.8
139.03937	2.8
143.08559	5.4
144.09343	2.8
145.02824	3.1
145.06485	3.5
145.10136	65.7
147.08014	3.0
147.11728	12.9
149.02353	65.8
149.05978	4.0
149.09619	9.1
149.13252	12.8
157.10103	2.8
158.10887	5.2
159.08046	3.7
159.11688	24.3
161.13280	8.0
163.02791	3.2
163.11205	28.7
163.14839	10.7
163.96809	1.7
172.12465	3.1
173.13379	1.9
174.13994	3.5
175.07632	2.4
175.14839	48.8
177.05496	1.9
177.09024	2.2
177.12756	6.9
177.16377	39.5
181.97890	3.2
187.07570	4.3
187.11218	6.2
187.14832	41.8
188.07043	2.6
205.04974	6.1
205.06857	8.5
205.08795	6.7
205.12231	22.7
205.15883	100.0
205.19467	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	205.1587
Annotation	Khusitone
Peak:m/z	Relative Intensity
53.03947	1.8
55.01872	3.7
55.05510	8.6
56.96577	1.7
57.03440	1.4
57.07076	6.4
59.05014	1.0
60.04534	1.4
61.02923	1.3
65.03937	2.0
67.05510	5.3
69.03439	4.7
69.07069	20.5
70.23242	0.7
71.05019	1.6
71.08618	1.1
71.57329	1.0
75.98172	0.8
79.05495	13.0
81.03425	3.2
81.07059	12.0
83.04999	3.1
83.08622	10.0
84.04510	1.0
85.02922	4.4
85.04839	1.0
85.06539	1.3
91.05481	11.4
92.51241	0.8
93.07052	27.5
93.07632	1.6
95.04971	3.3
95.08615	25.1
97.02901	15.0
97.06539	1.5
97.10164	1.9
98.03237	0.9
99.04459	2.5
102.70027	0.7
103.05443	1.1
105.07038	18.9
107.04974	0.9
107.08600	66.2
109.02892	8.1
109.06502	2.5
109.10159	11.9
113.96376	1.1
117.07021	10.1
117.59902	0.9
119.08585	41.4
121.02889	3.0
121.03965	1.1
121.06524	6.5
121.10146	60.3
123.08088	2.9
123.11696	3.6
127.03886	3.6
127.05887	1.3
129.07002	2.2
130.07805	1.9
131.04944	1.1
131.08585	11.7
133.06511	1.0
133.10133	24.4
135.08067	5.1
135.11685	14.7
137.09642	3.3
137.13354	0.9
139.03947	1.4
143.08559	4.7
144.09360	1.7
145.02843	1.0
145.06476	1.0
145.10130	43.9
146.06042	1.3
147.08052	1.3
147.11717	8.2
148.08876	0.9
149.02341	25.0
149.05988	1.0
149.09625	11.0
149.13257	7.3
157.10141	2.6
158.10902	3.1
159.08020	1.3
159.11708	13.2
160.12474	0.9
161.13258	12.2
162.10384	1.4
163.02850	1.2
163.11192	100.0
163.14832	9.2
172.12480	3.6
175.14832	38.6
177.12752	3.1
177.16389	25.8
187.07576	1.3
187.11177	1.3
187.14833	31.1
190.09845	0.8
205.04942	4.5
205.06868	4.0
205.08752	3.6
205.12553	8.2
205.14331	3.5
205.15886	82.0
205.19472	8.4
206.16158	1.0
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	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03935	4.4
55.01865	3.1
55.05515	12.9
56.96573	9.6
57.03428	2.2
57.07082	12.9
59.04992	2.2
60.04518	3.5
61.02920	1.7
65.03928	4.7
67.05513	10.2
68.67624	1.3
69.03434	9.1
69.06721	1.9
69.07072	28.4
70.77505	3.6
71.00724	1.6
71.04978	5.0
75.88126	1.2
77.00893	1.4
77.90485	1.3
79.05492	21.7
81.03429	11.2
81.07065	24.6
83.04979	4.4
83.08613	10.2
85.02902	15.0
85.06512	2.7
91.05483	26.4
93.06474	2.5
93.07047	36.8
95.04995	7.0
95.08614	37.5
97.02290	2.1
97.02900	36.3
97.06506	4.6
97.10170	2.9
98.03242	1.6
98.97624	1.7
99.04494	8.6
99.08099	3.4
103.05477	3.7
105.07035	41.5
106.03639	1.5
107.08600	83.0
109.02884	21.4
109.06516	7.5
109.10162	17.2
111.08054	3.4
113.96420	2.0
115.05445	4.3
117.07011	17.2
119.08585	55.2
119.97886	1.6
121.02853	5.6
121.06514	19.1
121.10150	68.2
121.11031	3.3
123.08088	7.5
123.11700	6.2
127.03873	8.3
127.05893	2.5
129.06982	4.2
129.70024	1.3
130.07794	8.5
131.04938	2.5
131.08575	27.7
133.10139	38.3
135.08063	8.8
135.11699	16.7
137.05997	20.6
137.09593	3.3
139.03893	3.4
141.07013	3.1
143.08575	9.7
144.05640	1.5
144.09331	6.2
145.02841	5.6
145.04982	3.0
145.06479	3.3
145.10127	98.3
146.10777	1.5
147.08022	3.4
147.11693	16.0
149.02342	53.7
149.05959	5.6
149.09607	13.2
149.13275	8.3
157.10117	6.9
158.10904	5.5
159.08060	4.0
159.11700	32.6
161.09624	2.1
161.13261	18.0
162.10371	1.7
163.02745	2.6
163.07561	1.9
163.11186	57.9
163.14836	14.4
163.96846	2.1
172.12453	4.7
174.14088	1.8
175.14844	52.7
177.05452	2.5
177.09195	2.7
177.12828	7.9
177.16396	40.0
181.97797	2.0
182.60146	2.2
187.06067	1.8
187.07552	5.9
187.11194	6.2
187.14833	52.0
188.07059	3.8
205.04948	13.9
205.06847	7.9
205.08742	6.8
205.12302	33.1
205.15887	100.0
226.12753	2.0
228.14447	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	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
51.26588	1.3
53.03952	1.6
55.05514	10.4
57.07063	6.2
60.00427	1.4
65.03931	3.6
67.05508	6.5
69.03421	3.3
69.07072	27.6
69.46535	5.7
69.46964	4.5
71.08633	1.7
72.35244	1.3
79.05491	13.6
81.03408	2.4
81.07066	17.9
83.04980	3.3
83.08630	8.9
85.02895	3.8
91.05484	12.2
92.07257	1.7
93.06483	1.7
93.07052	30.6
95.08611	36.1
97.02900	13.6
97.10136	1.5
97.34348	1.3
99.04480	2.5
101.12524	1.4
102.63052	1.2
105.07039	19.2
107.08600	68.1
109.02884	9.9
109.10165	15.6
115.05462	1.5
117.07018	12.4
119.08585	43.0
121.02882	2.1
121.06507	4.9
121.10153	57.8
121.11034	2.9
123.08066	3.4
123.11707	7.1
127.03962	2.8
129.06975	3.3
130.07784	3.7
131.08578	13.2
133.10138	31.0
135.08014	4.7
135.11713	18.9
137.09561	1.6
143.08574	8.0
145.10130	51.4
146.72618	1.3
147.11707	10.0
149.02348	19.7
149.09624	4.6
149.13274	11.0
153.34102	1.7
157.10092	4.3
158.10916	4.5
159.11700	12.1
160.12604	1.3
161.13289	8.0
163.11188	62.3
163.14778	7.4
172.12486	4.6
173.13382	1.6
174.14020	1.8
175.14841	63.3
177.12701	1.9
177.16394	45.5
187.14836	44.8
205.04973	3.9
205.06833	1.4
205.08737	2.4
205.15895	100.0
205.19464	11.6
226.38968	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
51.02365	0.5
52.06632	0.3
53.03938	1.0
55.01872	1.1
55.05509	2.9
55.68301	0.3
56.96573	2.4
57.03423	1.1
57.07086	3.0
60.04509	0.6
65.03926	0.8
66.31615	0.3
67.05218	0.4
67.05512	4.4
69.03436	2.0
69.07067	4.4
70.21539	1.3
71.04994	4.1
79.05491	4.8
81.03428	3.1
81.07057	19.4
83.04984	6.7
83.08629	1.0
84.04487	0.7
85.02906	2.2
91.05478	9.5
93.07048	9.2
95.04980	2.0
95.08611	10.2
97.02895	8.4
97.06532	0.9
97.10163	0.5
98.21346	0.5
98.97593	0.4
99.04457	8.1
101.52361	0.5
103.05490	1.2
105.07033	26.8
107.04942	0.9
107.08592	9.3
109.02880	4.5
109.06564	0.8
109.10145	2.4
111.68874	0.3
113.96365	0.4
114.05500	0.4
115.05450	1.4
117.07018	10.9
119.00154	0.6
119.08583	17.0
119.97942	0.3
120.24578	0.4
121.02872	1.2
121.04025	0.5
121.06529	3.7
121.10147	8.1
123.08055	0.9
123.11710	17.5
127.03899	1.9
127.05863	0.5
127.95865	0.3
128.06204	1.2
129.07002	3.4
130.07796	6.7
131.08568	17.6
132.09396	0.5
133.10124	9.8
135.08069	2.9
135.11688	2.4
137.09499	0.4
139.03937	0.5
141.07001	0.5
141.14844	0.3
142.03522	0.4
142.32610	0.3
143.08556	4.6
144.09361	4.0
145.02837	1.1
145.06497	1.8
145.10124	100.0
146.06061	0.6
146.10687	1.5
147.08057	1.1
147.11678	5.1
149.01138	0.8
149.02344	13.0
149.06003	0.9
149.09610	1.4
149.13251	2.1
157.10124	1.4
158.07254	0.4
158.10893	1.8
159.08090	3.1
159.11691	23.5
160.12424	0.5
161.13263	1.8
163.02759	0.7
163.07544	1.3
163.11205	2.1
163.14809	0.8
163.96889	0.6
169.10185	0.4
170.05882	0.5
172.08832	0.5
172.12466	0.5
173.09694	0.9
173.13274	7.1
175.14830	17.9
177.09125	0.5
177.12758	1.4
177.16403	4.5
181.97874	0.6
187.07556	1.1
187.11169	5.0
187.14821	12.7
205.05167	2.9
205.06905	1.3
205.08731	1.7
205.12253	34.9
205.15866	27.5
220.66620	0.4
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	Mayurone
Peak:m/z	Relative Intensity
53.03944	1.7
55.01860	3.5
55.05514	11.0
56.96557	2.4
57.03436	1.2
57.07072	7.3
58.57222	1.1
59.05000	1.3
60.04515	2.5
67.05508	5.9
67.49633	1.5
69.03411	3.1
69.06728	1.5
69.07076	23.7
70.56503	3.1
71.05014	2.3
73.25089	1.1
79.05502	14.7
81.03395	5.8
81.07067	12.0
83.04988	3.7
83.08630	11.9
85.02902	4.1
89.88400	1.4
91.05484	15.0
93.07053	30.7
95.04945	2.9
95.08610	22.8
97.02905	16.0
97.10191	1.9
98.03200	1.7
99.04440	4.0
99.08093	1.8
103.05453	2.2
105.07041	20.7
107.04931	1.3
107.08604	65.9
109.02884	9.5
109.06539	2.3
109.10171	12.0
110.59409	1.2
116.06299	1.3
117.06995	8.7
119.08589	37.3
121.02891	2.7
121.06522	7.1
121.10155	64.6
123.08068	4.9
123.11790	2.6
127.03924	5.3
130.07753	2.1
131.08565	12.9
133.09114	1.5
133.10139	25.7
135.08052	5.8
135.11697	17.2
137.09612	3.0
143.08580	4.0
144.09335	2.4
145.02826	1.7
145.10138	45.6
147.11717	9.2
149.02364	19.8
149.09621	10.8
149.13280	6.7
157.10120	3.8
158.10895	3.5
159.11736	16.0
161.13290	10.7
163.11195	100.0
163.14839	11.6
172.12477	2.4
175.14842	43.8
177.12766	3.8
177.16394	30.6
187.14845	33.5
187.16399	1.1
205.05013	4.7
205.06853	3.5
205.08705	2.9
205.12189	5.8
205.14268	4.5
205.15889	86.8
205.19400	8.8
213.47374	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
54.25336	0.1
55.01874	0.3
55.05509	0.8
56.96574	0.3
57.03435	0.1
57.07080	9.1
57.17750	0.1
59.05018	0.2
60.04524	0.2
61.02925	0.2
65.03943	4.4
65.04274	0.3
67.05511	1.1
69.03440	1.2
69.07071	1.9
71.05000	0.3
71.57127	0.2
79.05504	1.5
81.03414	0.7
81.07067	1.8
83.01324	0.2
83.04998	0.4
83.08625	0.8
84.04537	0.2
85.02909	0.7
85.04852	0.2
85.06535	0.2
87.90148	0.1
91.05471	1.0
93.03403	1.6
93.07057	2.1
95.04990	0.6
95.08614	3.8
97.02898	2.3
97.06550	0.5
98.03697	0.4
99.04450	0.4
99.08148	0.2
105.07039	1.7
107.05009	0.2
107.08601	3.3
109.02893	1.4
109.06532	0.9
109.10165	2.1
111.04475	0.7
111.08099	0.4
115.05402	0.1
117.07023	0.4
119.08609	1.1
121.02882	11.4
121.03992	2.7
121.06512	1.1
121.10147	4.4
122.10935	0.2
123.08065	0.9
123.11719	0.9
127.03938	0.6
127.05873	0.4
129.07042	0.2
131.04999	0.1
131.08569	0.8
133.10146	0.9
135.08066	4.2
135.11671	1.0
137.09625	0.3
144.09360	0.2
145.04968	0.1
145.10127	1.9
147.08060	0.3
147.11722	0.9
149.02353	100.0
149.09631	2.1
149.13292	0.6
150.02679	0.8
157.10196	0.2
159.08060	0.2
159.11708	1.2
161.09691	0.2
161.13231	0.4
162.10376	0.2
163.02722	0.1
163.11174	0.5
163.14848	0.4
167.03479	0.9
172.12468	0.2
175.77325	0.1
177.12798	0.4
177.16379	1.6
184.80157	0.1
187.07527	0.2
187.14822	1.5
190.04967	1.1
205.04961	0.6
205.06824	0.9
205.08783	0.4
205.12297	0.9
205.14337	0.2
205.15884	4.8
205.19339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03937	1.6
55.01868	0.7
55.05513	5.6
56.96563	1.1
57.03429	0.8
57.07082	4.7
58.06585	0.6
65.03934	1.5
67.05505	6.2
69.03428	2.4
69.07071	13.2
71.08630	0.8
79.05497	8.3
80.29057	0.6
81.03408	2.6
81.07059	40.9
83.08626	3.0
84.04526	0.6
85.02923	3.1
91.05486	5.4
93.07048	37.8
95.04965	1.9
95.08608	18.4
97.02895	10.9
97.10165	3.4
99.04455	1.9
105.07025	5.1
107.07864	1.0
107.08598	19.9
109.02879	7.2
109.10155	14.8
111.11733	1.2
111.92093	0.5
117.07010	1.6
119.08593	2.5
121.02904	1.7
121.04079	0.6
121.06509	2.4
121.10148	100.0
122.10495	0.8
123.11711	7.5
127.03916	2.3
127.05885	1.2
131.08525	0.9
133.10152	0.9
135.08080	0.7
135.11702	14.7
137.13226	0.8
139.03868	1.2
145.02850	0.9
145.06618	0.7
145.10187	2.0
147.11707	0.9
149.02345	17.7
149.06029	0.7
149.13264	27.3
159.11691	1.8
163.02855	0.7
163.11198	1.7
163.14830	2.0
175.14854	0.7
177.12822	0.9
185.87331	0.6
187.11253	1.2
187.14796	0.8
205.04984	3.3
205.06894	2.2
205.08904	1.7
205.12329	2.6
205.14139	1.2
205.15790	3.4
205.19511	17.2
206.19081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05510	22.9
57.07079	14.8
64.16559	3.3
67.05521	18.8
67.15539	3.1
69.03437	3.2
69.07074	36.6
69.48886	14.3
69.49294	6.9
71.06135	3.0
71.08624	3.9
79.05497	13.9
81.03432	6.1
81.07054	26.8
82.21730	3.9
83.08616	16.1
85.02905	4.3
91.05519	7.1
93.07044	42.5
95.08618	50.9
97.02891	14.1
97.10179	15.6
98.03282	2.8
99.04492	3.7
105.07017	7.6
107.08598	57.1
109.02900	8.7
109.10168	64.8
111.11751	4.7
119.08569	7.0
121.02884	8.8
121.10155	67.1
123.11677	18.6
127.03971	6.0
128.30710	2.9
133.10069	3.7
135.11700	43.4
143.71021	3.4
145.02788	3.3
147.11681	3.8
149.02357	72.8
149.09612	3.7
149.13271	69.2
156.40625	3.2
163.11234	8.1
163.14845	21.1
187.14690	3.6
205.04955	9.1
205.06827	6.7
205.08640	3.4
205.12177	5.4
205.16049	7.1
205.19556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03944	1.7
55.01865	0.9
55.05515	7.5
56.40002	0.6
56.96560	1.3
57.07078	10.9
60.04524	0.9
61.02935	0.9
65.03932	3.3
66.86388	0.6
67.05501	8.0
69.03432	2.5
69.06718	1.3
69.07069	15.3
69.90390	1.7
69.90797	1.3
71.04999	0.8
71.08628	1.2
77.47617	0.6
79.05488	11.0
81.03411	3.0
81.07059	46.1
83.08633	5.5
85.02913	2.5
85.04831	1.4
91.05466	6.3
93.03406	0.8
93.07051	37.4
95.04973	1.7
95.08611	27.2
97.02888	13.2
97.10172	4.8
99.04472	2.8
105.07035	5.6
107.08600	29.6
109.02887	9.1
109.06533	0.7
109.10159	22.4
111.11747	2.3
114.05467	0.7
119.08590	3.1
121.02874	8.1
121.03921	1.3
121.06521	3.3
121.10148	100.0
122.10467	0.8
123.11716	10.6
127.03932	2.9
127.05869	2.2
131.08578	0.9
133.10196	0.7
135.08023	0.8
135.11702	20.2
137.13206	1.5
139.03928	0.9
145.02856	1.1
145.06517	0.7
145.10078	3.0
147.11758	1.0
149.02351	75.4
149.13263	38.1
149.14499	0.9
150.13622	0.7
159.08113	0.6
159.11699	1.2
163.11203	1.2
163.14836	4.8
167.03439	0.9
169.06781	0.6
177.12737	1.2
177.16362	1.1
187.14835	1.5
190.04930	0.9
205.04944	4.1
205.06851	2.8
205.08846	2.4
205.12204	4.2
205.14134	1.2
205.16025	3.1
205.19524	28.2
205.21465	1.4
220.01395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.00317	0.9
53.03666	0.9
53.03941	1.7
55.01862	1.1
55.05514	6.1
56.96547	1.8
57.07080	10.1
57.56145	0.8
58.99971	0.8
60.04516	1.3
61.02901	1.0
65.03941	5.5
66.30921	0.8
67.05519	6.7
69.03429	4.1
69.06736	0.9
69.07072	14.1
70.43298	0.9
71.08630	0.9
71.58949	1.0
73.64707	0.9
79.05494	9.5
81.03410	4.1
81.07062	39.5
83.08621	5.3
84.04494	1.3
84.15073	1.0
84.51352	0.8
85.02881	3.3
85.04852	1.4
91.05488	5.9
93.03427	1.2
93.07047	38.3
95.04972	1.4
95.08614	21.7
97.02898	15.3
97.10159	2.6
99.04451	3.0
100.89989	0.9
104.06281	0.9
105.07024	6.4
107.04955	1.1
107.08600	28.9
109.02879	9.9
109.06498	1.2
109.09476	1.2
109.10163	18.4
111.04406	1.2
111.11694	1.3
115.05424	1.2
117.07018	3.6
119.08604	7.1
121.02895	7.4
121.03952	1.4
121.06491	2.5
121.10151	100.0
122.10427	1.3
123.11694	5.8
126.05464	0.9
127.03915	3.1
127.05862	2.0
131.08578	2.6
133.10123	6.1
135.08044	1.5
135.11705	13.9
145.02831	1.6
145.04834	0.9
145.06602	1.1
145.10126	8.4
147.11665	1.1
149.02353	75.4
149.13269	26.7
157.10121	1.0
159.11693	3.8
163.02672	1.2
163.11176	6.2
163.14836	4.3
167.03439	1.7
175.14822	8.3
177.16360	5.6
187.14848	8.1
187.95380	0.9
205.05078	4.8
205.06839	2.0
205.08739	2.2
205.12157	2.4
205.14203	1.5
205.15910	15.4
205.17738	1.6
205.19586	21.4
209.27058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05522	4.7
57.07084	2.4
67.05505	5.3
69.03426	0.6
69.06725	0.7
69.07076	9.6
69.48883	2.3
69.49296	1.2
71.08608	0.8
74.49476	0.6
79.05499	8.5
81.03421	1.2
81.07062	46.8
83.08638	3.1
85.02922	0.8
91.05486	4.1
93.07050	37.4
95.08611	16.5
97.02907	2.7
97.10181	1.5
105.07032	3.6
106.07703	0.5
107.08606	17.9
109.02901	2.5
109.10161	11.7
111.11736	1.4
116.29587	0.5
117.07012	0.8
119.08572	1.5
121.02830	0.5
121.10150	100.0
122.10495	0.6
123.11713	7.1
127.03973	0.7
131.61378	0.5
135.11693	10.1
149.02391	4.6
149.13275	22.3
163.14856	2.0
205.04987	1.0
205.08838	0.8
205.12314	1.8
205.15874	1.5
205.19539	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03938	1.6
55.01873	0.9
55.05517	6.4
56.96562	3.8
57.03447	1.1
57.07074	4.8
60.04519	0.7
65.03940	2.5
67.05508	5.8
69.03452	3.3
69.06734	0.6
69.07077	11.5
69.44428	1.8
69.44839	2.8
71.08630	1.4
73.02910	0.7
79.05502	10.6
81.03430	3.8
81.07066	43.8
83.08622	3.0
84.04544	0.8
85.02898	4.2
91.05492	6.9
93.07057	37.1
95.04980	0.7
95.08614	17.5
97.02903	13.9
97.10175	3.4
99.04465	3.3
103.05473	1.0
105.07043	5.0
107.08608	19.1
109.02891	9.7
109.10171	13.0
111.11698	1.1
113.96391	1.3
115.05455	1.0
117.07017	2.4
119.08566	2.2
119.97893	0.8
121.02874	3.1
121.03989	0.9
121.06548	1.8
121.10152	100.0
122.10473	1.2
122.91618	0.7
123.11730	6.9
127.03944	3.7
127.05894	0.7
131.08560	0.6
133.10144	1.3
134.03467	0.6
135.08072	1.2
135.11703	11.3
139.03949	0.6
145.01859	0.6
145.02905	2.2
145.04942	0.9
145.06538	1.9
145.10110	2.9
147.11720	2.0
148.12012	0.7
149.02359	25.8
149.05913	0.9
149.09729	0.6
149.13275	25.8
156.38045	0.6
159.08061	0.7
159.11763	0.9
163.02809	1.2
163.11230	1.6
163.14850	2.3
170.09467	0.7
173.06038	1.2
175.07603	1.0
175.14847	1.2
177.05548	1.0
177.12802	1.8
177.16431	1.7
181.97893	0.9
187.07588	1.2
187.11235	0.7
187.14832	1.7
205.05093	7.0
205.06866	2.7
205.08794	2.9
205.12225	5.0
205.14108	1.4
205.15903	4.2
205.19556	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1954
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.95617	0.6
53.03944	1.5
55.05517	11.6
55.05778	0.9
56.96575	2.5
57.07080	6.5
59.32417	0.6
60.04519	0.6
65.03947	2.5
67.05510	12.6
69.03435	1.8
69.07071	22.8
69.38810	2.1
69.39245	3.1
71.04992	1.0
71.08635	2.2
79.05499	11.7
79.66663	0.6
81.03420	1.8
81.07063	56.7
83.04994	2.9
83.08623	6.7
85.02914	2.4
91.05485	7.8
93.07053	49.7
95.04977	2.0
95.08612	33.4
97.02905	8.7
97.10172	6.2
98.21471	1.4
98.62708	0.6
99.04452	1.9
105.07037	12.5
107.08602	37.2
107.78896	0.6
109.02901	5.6
109.06534	0.9
109.10161	27.5
111.11745	3.1
112.97688	0.6
115.05516	0.9
117.07039	2.5
119.08578	7.4
121.02892	1.7
121.06528	3.9
121.10151	100.0
123.08075	0.8
123.11720	23.6
127.03936	1.9
129.07021	0.8
131.08583	5.9
133.10121	4.2
135.08093	1.4
135.10681	1.1
135.11707	22.8
137.13266	1.4
139.03932	0.8
143.08624	1.6
145.02930	0.8
145.10121	11.6
147.11719	3.5
149.02354	13.5
149.09608	1.6
149.13271	41.9
159.11688	4.5
161.13258	1.0
163.02817	0.8
163.11159	1.4
163.14868	5.1
173.13191	3.8
175.07722	0.6
175.14824	8.2
177.12756	2.1
177.16393	2.9
177.33087	0.7
187.07481	0.7
187.14815	5.8
188.07071	0.7
205.04948	2.5
205.06845	1.9
205.08669	1.5
205.12260	2.9
205.14200	1.0
205.15900	15.2
205.19521	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	205.1953
Annotation	(R,Z)-alpha-bisabolene
Peak:m/z	Relative Intensity
53.03936	1.1
55.05522	4.7
57.07084	2.4
67.05505	5.3
69.03426	0.6
69.06725	0.7
69.07076	9.6
69.48883	2.3
69.49296	1.2
71.08608	0.8
74.49476	0.6
79.05499	8.5
81.03421	1.2
81.07062	46.8
83.08638	3.1
85.02922	0.8
91.05486	4.1
93.07050	37.4
95.08611	16.5
97.02907	2.7
97.10181	1.5
105.07032	3.6
106.07703	0.5
107.08606	17.9
109.02901	2.5
109.10161	11.7
111.11736	1.4
116.29587	0.5
117.07012	0.8
119.08572	1.5
121.02830	0.5
121.10150	100.0
122.10495	0.6
123.11713	7.1
127.03973	0.7
131.61378	0.5
135.11693	10.1
149.02391	4.6
149.13275	22.3
163.14856	2.0
205.04987	1.0
205.08838	0.8
205.12314	1.8
205.15874	1.5
205.19539	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	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40955	1.2
56.96565	2.0
58.40267	1.3
71.13396	2.7
71.13728	1.3
82.99867	3.2
88.39270	1.3
89.91589	1.4
97.48201	1.3
98.43257	1.3
98.97588	1.4
100.77162	1.4
101.00889	33.2
109.70078	1.4
110.00819	1.6
115.73473	1.5
118.16878	1.3
119.01926	46.9
121.01680	4.7
124.02428	10.0
137.02957	7.0
141.21738	1.5
142.03511	100.0
143.03644	1.8
144.03281	2.3
160.04538	19.8
161.02985	4.6
165.05180	3.9
182.99715	4.2
183.06230	1.7
184.04643	2.4
186.90945	1.6
188.65929	1.5
194.88991	1.4
200.49982	1.7
201.00769	3.4
201.02467	3.1
202.06018	1.6
219.03552	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	Scoparone
Peak:m/z	Relative Intensity
53.03942	2.5
54.39393	0.7
55.01862	0.9
55.05495	1.4
65.03942	4.2
66.34148	0.7
67.05503	2.8
68.99792	1.0
69.03419	2.9
69.07077	1.4
71.04967	1.0
71.58363	0.7
71.58765	1.0
77.03927	1.2
79.05508	4.2
81.03406	1.7
81.07046	2.4
83.04979	1.5
85.02913	0.8
89.03934	1.6
90.04697	1.0
91.05486	49.0
93.03408	2.1
93.07070	3.9
94.04205	0.8
95.04980	4.5
95.08611	4.4
99.04449	1.0
103.05482	5.6
105.03363	1.8
105.07031	3.8
106.04179	1.7
107.04967	1.9
107.08562	1.3
108.05736	3.5
109.06537	2.0
109.10186	1.3
111.04430	0.9
111.08094	0.8
115.05460	1.1
118.04176	4.7
119.04951	54.7
119.08610	2.2
121.02862	3.0
121.06530	4.7
121.10157	1.2
123.04464	4.3
123.08076	3.9
129.03348	1.0
129.05513	0.9
131.04939	1.3
132.02089	2.8
133.06483	3.6
133.10124	1.5
135.04410	2.5
136.05202	9.9
137.05968	2.5
145.02905	1.4
146.03641	9.6
147.04417	45.0
147.11699	2.6
149.02351	23.4
149.06036	3.5
149.09631	2.5
151.07547	12.0
151.08682	1.3
157.03986	2.2
161.05984	2.6
161.09409	0.7
161.13280	2.0
162.03195	1.1
163.03902	6.5
164.04698	30.1
165.05482	8.8
165.12862	1.4
174.03146	10.7
175.03917	33.6
176.04500	1.1
177.05457	2.6
178.06232	0.9
179.07042	28.4
189.05510	1.5
189.09167	1.0
189.12773	2.2
189.16429	1.1
190.02716	0.9
191.03436	2.3
192.04198	14.5
207.06540	100.0
207.13821	4.2
207.17421	1.7
208.06975	0.9
219.22133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	Scoparone
Peak:m/z	Relative Intensity
51.21848	1.0
53.00297	0.9
53.03949	2.1
54.30753	0.7
55.01872	1.8
55.05505	1.7
56.96556	1.2
57.07066	1.2
61.02906	0.9
65.03939	6.8
67.05494	3.2
68.99786	1.1
69.03442	4.8
69.07058	1.6
71.04987	1.3
71.59251	1.2
77.03909	1.2
79.05483	4.5
80.06264	1.2
81.03410	1.8
81.07043	3.6
83.04959	2.5
85.02877	2.7
89.03917	1.2
91.05485	72.1
93.03408	1.5
93.07032	3.8
95.04967	6.4
95.08612	6.3
99.04455	1.0
103.05461	5.4
105.03353	1.3
105.07043	4.9
106.04178	1.8
107.04973	2.1
107.08590	3.8
108.05736	2.8
109.06516	3.6
109.10134	1.5
111.04478	1.5
112.63180	1.0
115.05453	1.9
118.04168	6.0
119.04953	67.3
119.08572	3.7
121.02862	2.1
121.06514	4.3
121.10165	2.1
123.04478	4.7
123.08096	4.9
123.11678	1.4
129.03398	1.1
129.05501	1.5
131.04950	2.2
132.02095	4.4
133.02847	2.2
133.06497	3.5
133.10120	2.7
135.04407	3.5
135.11610	1.0
136.05183	9.5
137.05971	4.0
137.09630	1.5
145.02878	2.0
146.03624	8.8
147.04417	58.1
147.11691	4.1
149.02354	21.2
149.05969	2.0
149.09631	3.3
150.03125	1.2
151.07561	10.1
156.21523	0.8
157.04050	4.4
157.06482	0.8
161.06000	2.4
161.13298	3.9
163.03932	5.2
164.04712	26.5
164.78784	0.9
165.05498	18.1
165.12762	7.6
171.11707	1.1
174.03137	9.3
175.03923	62.4
176.62753	0.8
177.05461	2.0
179.07043	26.0
179.08556	1.9
189.05482	1.8
189.12744	1.6
189.16388	2.0
192.04169	19.0
193.04852	1.0
207.06538	100.0
207.13821	10.8
207.17476	3.1
208.07060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0654
Annotation	Scoparone
Peak:m/z	Relative Intensity
51.02382	0.8
53.03945	1.5
55.01868	1.7
55.05509	3.3
57.03451	1.3
59.05001	0.9
59.34836	0.7
61.02927	1.3
65.03940	7.3
67.05515	4.0
69.03426	5.4
69.07087	1.7
69.21199	8.0
71.05003	1.5
76.03143	0.9
77.03934	2.2
78.04737	0.8
78.75973	0.8
79.05498	4.2
80.06258	1.1
81.03425	1.2
81.07050	3.6
83.04980	3.1
85.02917	6.4
87.04425	1.1
89.03927	3.1
91.05482	95.7
93.03439	1.0
93.07063	4.7
93.14876	0.8
95.04974	2.6
95.08611	5.8
98.21481	1.3
98.97583	2.1
99.04436	1.1
103.05473	4.5
104.02618	1.2
105.03389	2.5
105.04562	1.1
105.07040	8.0
107.04964	3.5
107.07971	0.8
107.08585	3.9
108.05708	1.7
109.06508	3.5
109.10153	2.2
111.04432	1.3
111.08147	0.8
111.87781	0.7
115.05500	0.8
116.06177	1.0
117.03404	1.1
117.07018	2.0
118.04144	5.8
119.04945	100.0
119.08578	8.0
121.02888	1.2
121.06506	2.7
121.10117	3.4
122.03705	0.8
123.04468	0.8
123.08060	4.5
123.11707	2.9
128.06195	1.3
129.03378	1.8
129.04456	1.1
129.05539	1.0
129.07008	3.8
131.04930	4.6
131.08594	1.6
132.02090	7.0
133.02856	2.8
133.06526	1.8
133.10135	2.4
135.04376	4.7
135.11720	0.9
136.05203	3.7
137.05978	3.8
137.09593	1.6
143.00186	0.8
145.02817	2.2
145.06532	1.0
145.10120	1.3
146.03647	4.6
147.04414	74.0
147.08054	2.8
147.11679	5.3
149.02351	10.1
149.09659	5.4
151.07556	3.4
156.09322	1.0
157.04005	8.0
157.06485	2.3
158.99669	1.8
159.11714	1.6
161.05910	1.9
161.09645	1.3
161.13266	2.9
162.03079	1.1
163.03880	1.5
163.07512	2.3
163.11195	1.5
164.04680	8.6
165.05482	17.9
165.12709	2.1
171.11688	1.1
174.03090	4.2
174.06767	1.5
175.03911	98.6
176.04439	0.9
177.01843	1.7
177.05507	1.3
179.07028	11.6
189.05544	1.2
189.07552	1.1
189.09088	5.3
189.12727	3.8
189.16478	0.8
192.04195	19.6
207.06525	70.8
207.10089	4.0
207.13794	11.7
207.17365	1.6
208.06847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0654
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02380	1.2
65.03941	6.1
67.05509	1.0
69.03438	1.7
70.55597	1.7
70.55942	0.8
75.59309	0.8
76.03156	0.9
77.03916	2.4
79.05488	1.7
80.06270	1.1
81.44565	0.8
83.04951	1.0
85.06536	1.0
89.03912	4.5
91.05489	85.5
93.03448	0.8
93.07041	0.9
95.04986	1.6
95.08590	7.0
103.05466	2.4
104.02585	0.8
105.03356	1.3
105.07045	1.6
107.04953	1.6
107.08569	1.1
108.05749	0.9
113.06026	0.8
114.62144	0.8
117.03409	0.8
118.04147	2.7
119.04953	91.6
119.08559	1.8
119.30961	0.7
121.02872	0.9
123.08069	3.2
125.66499	0.8
129.03387	1.7
129.04483	0.9
131.04865	0.7
132.02100	7.8
133.02838	1.8
135.04390	3.4
135.11703	0.7
136.05154	2.4
145.02852	2.6
146.03619	3.3
147.04420	71.7
147.11714	1.3
149.02338	7.7
149.09607	3.4
157.03972	8.7
160.01584	0.9
161.06049	1.6
163.03979	1.2
163.75310	0.8
164.04721	5.4
165.05499	4.4
165.53084	0.7
174.03146	3.1
175.03918	100.0
176.04391	0.8
177.01830	1.1
179.07076	8.9
189.12779	1.8
192.04196	8.6
195.48422	0.7
207.06546	47.0
207.13737	3.7
216.88255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.19968	0.6
51.02356	0.9
53.03968	0.8
53.34342	0.6
55.01894	0.7
55.05513	2.6
57.07074	2.1
59.05001	0.8
65.03937	3.7
67.05516	4.3
69.03436	2.6
69.07060	2.0
71.05000	1.3
71.53317	1.1
74.13677	0.7
75.01763	0.6
77.03929	1.5
77.65258	0.7
79.05487	3.3
81.07058	15.9
83.04986	2.0
83.08636	1.0
85.02908	100.0
85.06532	2.0
89.03917	2.1
90.04713	0.8
91.05483	49.2
93.07067	4.8
95.04968	2.4
95.08605	5.0
103.05460	2.4
105.03397	0.8
105.07034	16.5
107.04961	1.8
107.08596	8.8
109.06530	5.0
109.10163	14.8
111.04452	1.1
117.03333	0.7
117.07043	2.2
118.04145	4.4
119.04949	44.5
119.08587	17.8
121.02886	1.4
121.06492	2.0
121.10146	11.2
123.08138	3.5
123.11710	59.5
125.05988	9.5
128.06245	1.7
129.07022	3.2
130.07793	1.4
131.04936	3.2
131.08592	4.8
132.02101	3.8
133.02815	1.1
133.06512	1.8
133.10129	1.8
135.04359	1.3
135.08121	0.8
136.05222	1.2
137.05986	1.7
137.09627	1.4
139.07524	1.2
141.05435	1.5
143.08554	1.4
145.02849	1.5
145.06386	1.0
145.10136	10.0
146.03610	1.8
147.04420	35.9
147.08044	5.0
147.11697	20.9
149.02336	5.3
149.09625	13.2
151.07568	7.1
156.09401	3.6
157.04004	5.3
157.06456	1.5
159.08049	1.4
160.08810	1.0
161.09584	1.3
161.13271	2.3
163.04025	0.7
163.07533	1.6
163.11169	2.7
164.04710	5.5
165.05502	6.9
165.12788	3.4
168.79155	0.7
169.08682	0.7
171.11745	2.3
174.03154	0.9
174.10432	1.7
175.03909	51.8
177.01830	1.3
179.07069	4.9
179.14284	0.7
189.09151	3.0
189.12749	14.6
191.96906	0.7
192.04176	14.2
198.73003	0.6
207.06531	34.3
207.09897	1.5
207.10597	1.3
207.13811	49.1
208.14188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	6.7
55.01860	5.6
55.05516	78.9
56.05839	4.1
56.96561	3.2
57.03428	5.5
57.07070	5.4
58.99850	3.1
59.04995	2.3
61.02912	5.2
65.03939	3.0
67.05505	26.9
69.03434	20.3
69.07072	61.7
70.07384	2.4
70.98542	2.4
70.98875	4.5
71.04996	7.1
73.86469	1.9
77.00903	2.0
79.05500	17.0
80.22413	1.8
81.03409	6.7
81.07063	32.8
82.99859	6.6
83.04990	14.4
83.08624	37.5
84.08944	2.2
85.02918	15.5
85.06528	5.0
86.38213	1.8
88.02685	4.7
91.05486	29.8
93.01908	3.8
93.07062	15.6
95.04974	9.0
95.08050	2.3
95.08618	26.0
97.02879	5.3
97.06519	2.9
98.97554	2.1
99.04441	5.0
99.08081	3.1
101.00896	46.5
102.00964	4.6
102.02409	6.2
102.52484	2.5
103.00651	2.6
103.05441	2.0
105.03519	2.0
105.07041	39.9
107.04948	3.2
107.08602	31.9
109.02831	2.0
109.06522	17.5
109.10166	68.9
110.10500	4.4
111.02924	9.4
111.04469	3.7
111.08083	4.1
113.00883	3.0
115.05447	2.9
117.06972	3.3
119.01926	45.1
119.04942	15.7
119.07794	3.1
119.08592	48.9
120.02023	3.9
120.03448	24.7
120.53522	6.0
121.06516	9.0
121.10161	21.7
123.04491	2.5
123.08079	26.1
123.11753	10.9
125.09634	4.6
128.06238	2.3
129.04004	3.8
129.05495	5.7
129.07001	5.3
131.01917	12.0
131.04906	2.2
131.08563	9.9
133.06520	10.1
133.10139	30.3
135.08032	6.1
135.11687	6.3
137.05988	6.5
137.09627	12.2
143.01903	59.2
143.08557	8.2
144.01988	9.9
145.01668	3.9
145.10127	12.9
147.04413	23.4
147.08037	14.9
147.11703	34.2
149.09631	63.2
151.07570	9.3
151.11203	2.2
155.01868	4.5
156.09415	9.6
158.04881	2.5
159.11752	2.2
160.08824	2.4
161.02979	58.1
161.05962	5.2
161.09639	26.2
161.13271	53.0
161.14612	3.9
162.03079	7.8
163.02698	4.0
163.11212	15.0
165.05580	24.2
165.06999	2.6
165.07620	1.8
165.09154	5.4
165.12781	15.2
167.05505	2.9
171.11736	11.1
173.02950	7.3
173.59552	1.8
174.03107	2.6
174.06390	12.4
174.10410	4.9
174.47505	1.9
174.56430	2.6
175.03874	4.3
177.12698	2.0
179.07047	2.3
183.05086	4.9
185.02882	2.1
185.51033	1.8
186.08250	3.3
189.07599	2.0
189.09120	8.1
189.12756	53.4
195.08662	4.4
195.58788	2.9
197.06593	18.0
201.06111	25.8
202.06255	4.0
203.04033	16.9
204.04202	4.4
207.06564	10.0
207.10001	6.5
207.13814	100.0
215.07652	47.4
216.07866	10.9
227.07611	8.6
228.07790	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.35135	0.5
53.03955	0.8
55.05515	4.1
57.07084	3.8
59.04994	0.8
65.03941	2.8
67.05508	27.5
68.05833	0.5
69.03421	3.1
69.07066	2.2
70.85043	1.5
70.85409	0.9
71.04990	1.2
79.05492	3.7
81.07069	4.2
83.04987	2.4
85.06546	8.7
88.27477	0.6
91.05487	11.4
93.07048	11.4
95.04989	3.1
95.08608	100.0
105.07037	8.3
107.08601	13.7
109.06510	2.9
109.10156	2.4
113.06001	6.5
119.04945	7.4
119.08588	18.1
120.68475	0.5
121.06529	1.9
121.10149	10.4
123.08071	47.7
123.11723	4.2
131.08524	2.8
133.06477	0.9
133.10144	3.5
135.08078	1.1
135.11708	5.4
137.09608	4.3
137.13252	1.6
143.08672	0.9
145.10127	1.1
147.04387	4.7
147.08052	3.2
147.11687	8.7
149.09625	25.6
151.07608	1.1
151.14839	2.8
156.09364	0.9
161.09680	1.2
161.13243	12.9
163.11159	1.5
165.05513	1.2
165.09129	1.2
165.12764	8.3
171.11690	1.8
174.10429	1.8
175.03926	8.1
179.14240	1.7
189.12738	12.9
207.06535	3.1
207.13815	20.9
207.15758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01605	0.4
51.02385	0.9
53.03946	6.0
55.01875	1.9
55.05257	0.8
55.05511	9.3
56.96564	1.1
57.03439	1.1
57.07077	0.7
59.05005	0.8
59.52047	0.3
65.03934	2.7
67.05507	30.3
69.03434	2.8
69.07076	7.4
71.04992	2.0
71.15136	0.6
73.02883	0.4
73.06557	1.5
77.03918	1.4
79.05495	54.6
81.03429	2.0
81.07060	24.8
83.04989	5.8
83.08624	3.5
85.02896	1.4
85.06550	2.6
87.04498	0.8
89.03953	0.4
91.05484	55.7
93.03409	0.5
93.07047	100.0
94.07390	0.5
95.04971	12.5
95.08609	12.5
97.02875	0.5
97.06534	1.9
97.10157	2.0
99.04470	0.9
99.08056	0.4
101.06061	0.6
103.05474	0.9
105.04534	3.4
105.07035	26.1
105.67500	0.4
107.04955	1.6
107.08595	11.7
108.05766	0.5
109.06534	5.6
109.10198	1.9
111.04459	0.7
111.08085	0.9
113.57638	0.4
115.05456	0.7
115.96460	0.5
117.07020	5.8
118.04168	0.5
119.04943	6.8
119.08585	17.0
121.02885	0.4
121.06512	1.8
121.10131	3.3
121.97560	0.4
123.08067	5.0
123.11767	0.7
125.06020	0.5
127.07575	1.8
128.06239	1.8
129.05469	1.1
129.07011	9.6
131.08575	1.7
132.02069	0.8
133.02850	0.5
133.06520	1.0
133.10153	7.3
135.08057	0.7
135.11667	1.6
136.05197	1.1
137.09570	0.4
139.07542	0.5
142.94936	0.4
143.08556	5.7
145.10127	9.0
146.03647	0.9
147.04414	6.8
147.08055	2.3
147.11693	50.1
149.02361	1.7
149.09549	1.2
149.13229	0.4
151.07553	2.1
151.11134	0.6
156.09412	0.5
157.04108	0.4
157.06448	0.5
161.03027	0.6
161.05917	0.6
161.09628	5.0
161.13274	9.9
163.03879	0.6
164.04695	2.8
165.05473	0.7
165.09062	0.8
171.11693	23.4
174.03059	0.8
175.03920	5.8
179.07089	2.3
189.05550	0.5
189.12752	11.2
189.16301	1.9
190.13104	0.4
192.04170	2.5
207.06531	10.7
207.13803	30.5
207.17406	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01853	1.0
55.05505	4.8
56.96570	1.0
57.07052	1.8
59.04993	1.7
67.05502	6.0
69.03409	3.7
69.07065	3.8
69.76266	4.9
71.04984	2.9
79.01903	0.8
79.05499	5.0
81.03417	1.0
81.07067	9.1
82.76198	0.9
83.04987	12.9
83.08604	1.8
85.02889	1.8
85.06541	1.5
91.05480	5.1
93.07051	7.0
95.04974	12.7
95.08608	32.7
97.06528	3.8
101.05981	1.3
103.05453	1.2
105.07031	23.2
107.08597	12.0
109.06524	10.0
109.10136	3.0
111.08096	0.9
115.05489	0.8
115.99528	0.9
118.13836	0.8
119.04930	3.7
119.07800	1.4
119.08588	18.3
120.09391	1.5
121.06492	2.6
121.10153	11.6
121.64296	0.9
123.04477	0.9
123.08069	70.2
123.11704	11.0
123.82574	0.8
125.09624	4.5
129.07007	1.9
131.08554	5.0
133.06493	10.5
133.10153	5.9
135.08063	1.8
137.05977	13.7
137.09613	4.3
143.08553	4.0
145.10107	2.6
147.08044	6.9
147.11694	8.6
149.09622	28.0
151.07542	34.0
156.09314	5.3
159.08040	3.2
159.11702	1.5
160.08780	2.1
160.32091	0.9
161.09654	4.7
161.13268	15.3
163.11171	2.0
163.28705	0.9
164.07069	1.1
165.12750	40.1
171.11710	10.8
174.10399	8.7
189.12746	79.3
189.16359	2.4
189.45364	0.8
190.13171	1.2
207.13797	100.0
208.09766	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.82183	1.1
51.66771	1.1
53.03937	2.5
55.05521	7.2
56.96544	1.2
57.07064	4.8
59.04985	1.2
65.03937	1.1
67.05509	25.5
68.18626	1.2
69.03424	5.6
69.07064	3.3
70.93995	3.3
71.04978	2.1
72.80758	1.3
73.01244	1.1
79.05486	9.5
81.07066	7.8
83.05003	2.3
85.02843	1.5
85.06551	11.8
91.05471	14.7
93.07050	31.5
94.07379	2.2
95.04991	5.9
95.08611	100.0
97.06510	2.3
98.20939	1.5
98.97591	32.9
105.07040	14.4
107.04954	1.9
107.08604	31.6
109.06510	6.9
109.10141	3.6
113.06002	5.8
116.98627	4.4
119.04967	1.8
119.08588	23.4
121.06496	2.4
121.10159	15.7
123.08079	55.6
123.11703	5.7
131.08545	5.9
133.06494	1.4
133.10149	5.7
135.08032	3.4
135.11687	9.5
137.05998	1.2
137.09619	5.6
137.13222	1.7
143.08488	1.5
145.10115	2.1
147.08044	3.9
147.11693	10.6
149.09625	35.1
151.07529	2.2
151.14828	3.8
158.99643	18.1
161.09653	2.7
161.13264	18.4
163.11224	2.2
164.07063	1.4
165.09145	2.0
165.12746	9.3
171.11751	2.8
174.10408	2.8
177.00697	8.7
177.06729	4.3
179.14288	2.2
189.12738	17.1
207.13817	24.8
208.09705	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	207.1382
Annotation	(plusmn)-Ibuprofen
Peak:m/z	Relative Intensity
52.06942	0.9
52.88670	0.9
53.03953	1.5
55.01856	2.1
55.05511	3.7
57.03434	1.1
59.04978	2.6
65.03937	0.9
67.05515	7.7
69.03436	14.7
69.07056	3.3
71.05000	59.7
76.70390	0.9
78.34945	0.9
79.05521	5.3
81.07062	12.6
83.05000	8.2
83.08604	1.7
84.52897	0.8
85.02914	6.6
85.06547	3.8
91.05487	9.9
93.07060	8.2
95.04980	9.5
95.08609	8.2
97.02855	1.3
97.06534	2.8
99.04478	1.8
105.06378	1.7
105.07044	20.6
107.04964	2.3
107.08601	10.8
107.84312	0.9
109.06535	20.5
109.10172	5.8
110.07281	2.6
111.04425	1.2
111.08080	1.6
117.06976	1.2
119.04942	2.9
119.08584	12.9
121.06506	4.1
121.10153	6.0
122.07315	8.3
123.04450	4.0
123.08073	18.6
123.11719	4.1
125.09629	6.6
128.06232	1.4
129.05496	1.3
131.08528	2.0
133.06519	6.2
133.10118	10.7
135.04460	1.1
137.05991	4.3
137.09630	100.0
143.08577	4.3
145.10112	2.7
146.07234	1.3
147.04414	3.2
147.08058	2.1
147.11693	9.4
149.09637	23.8
151.07567	5.1
151.11162	1.1
156.09366	1.8
161.09647	13.1
161.13211	3.6
163.11160	4.7
164.07112	6.8
165.05484	18.4
165.09164	2.7
165.12779	9.2
171.11708	2.5
174.10361	1.4
175.03912	2.0
179.07019	0.9
179.10580	1.0
189.09140	3.4
189.12730	10.2
207.06540	2.7
207.10228	2.6
207.13826	34.1
208.09734	9.8
229.99397	1.3
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	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03954	3.6
53.10699	1.3
55.01877	2.3
55.05508	6.3
56.96562	3.9
59.04985	4.8
61.02914	2.7
65.03938	2.8
66.04717	2.5
67.05529	9.8
69.03073	2.6
69.03435	42.1
69.07070	6.4
71.05012	8.6
71.55901	1.7
77.03928	2.2
79.05489	15.6
81.03420	6.7
81.07064	21.3
83.04989	9.9
85.02908	9.9
85.06561	2.6
91.05482	25.9
91.14867	1.6
92.94217	1.6
93.07050	24.8
95.04989	7.8
95.08620	31.9
97.02908	1.7
97.06544	4.0
98.97596	24.6
99.04480	3.6
99.08087	4.2
103.05486	5.1
105.03414	2.0
105.04527	1.7
105.06389	2.2
105.07045	35.7
106.10027	1.4
107.04966	3.4
107.08607	25.8
109.06525	16.7
109.10149	7.9
111.08082	2.9
113.05991	1.7
115.05457	2.8
116.98624	5.2
117.07001	2.3
118.04167	6.0
119.04965	14.2
119.08591	49.0
121.02856	7.9
121.06520	4.7
121.10150	25.1
123.04433	1.5
123.08083	32.5
123.11732	3.7
125.09625	2.3
129.03360	3.3
129.05490	2.5
129.06984	2.3
131.04938	5.0
131.08575	12.5
133.02797	1.5
133.06505	73.1
133.10193	7.7
135.08044	1.9
135.11710	4.1
135.44759	1.6
135.58891	1.3
137.05975	7.4
137.09610	5.4
137.13274	2.4
137.78105	1.6
141.06979	2.3
143.08559	5.4
145.10132	11.4
146.03619	2.0
147.04420	47.3
147.08064	6.3
147.11694	19.2
147.59114	1.3
149.06001	1.8
149.09637	44.5
151.07579	15.6
154.03879	1.7
156.09335	9.8
157.02797	2.0
157.35283	1.4
158.99687	9.1
159.11739	3.3
161.05994	69.2
161.09634	5.3
161.13275	19.3
163.11212	4.4
164.07053	3.7
165.05496	61.7
165.07597	1.9
165.09177	2.3
165.12729	12.4
171.11708	15.2
175.03929	100.0
176.08299	3.1
177.00754	6.4
177.05513	1.6
179.07062	14.6
179.14330	4.5
183.10182	2.1
186.07274	13.4
186.57504	4.3
189.05492	26.9
189.09061	3.6
189.12787	28.4
192.04247	1.8
195.07814	7.5
206.58626	2.0
207.06543	45.5
207.08075	1.7
207.10057	3.0
207.13820	54.4
208.09676	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
52.65625	2.2
53.03959	2.5
55.05516	8.7
57.03437	4.9
57.07074	6.0
67.05507	12.0
69.03433	8.5
69.07068	11.9
69.45016	11.0
69.45439	6.1
71.04992	3.0
76.52989	2.1
79.05501	9.3
81.07060	31.8
83.04984	4.5
83.08633	5.3
85.06534	5.6
91.05506	11.1
93.07044	27.7
95.08608	46.3
97.10171	2.9
98.20745	4.4
105.07037	27.6
107.08605	59.7
109.06522	2.7
109.10159	28.4
111.08072	5.3
111.68626	2.1
116.58052	2.1
119.08591	46.0
121.10172	14.7
123.08050	6.9
123.11710	14.3
129.05450	2.3
131.08568	3.9
133.10144	44.8
135.01572	2.1
135.11703	98.1
137.09630	8.8
137.13232	4.7
147.11710	34.0
149.13272	12.2
151.11197	16.1
161.13263	8.4
163.14825	16.5
170.38071	2.7
189.16399	100.0
207.06438	4.8
207.13733	3.8
207.17461	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.05504	10.2
57.01922	1.6
57.03439	8.5
57.07066	3.7
59.05012	2.1
61.02905	3.0
67.05499	12.0
69.03427	19.1
69.07069	12.5
71.04977	5.5
71.59007	2.5
77.25209	2.0
79.05495	10.3
81.03403	4.1
81.07064	18.6
83.04991	11.0
83.08622	3.5
85.02896	6.9
85.06532	7.1
91.05485	14.4
93.07045	35.5
95.04967	2.9
95.08607	36.7
99.04401	2.4
105.07034	27.1
107.04955	2.2
107.08598	63.6
109.06499	4.7
109.10161	17.2
111.04438	7.9
111.08060	4.2
117.07054	2.6
119.04952	2.7
119.08586	48.9
121.06509	2.3
121.10150	14.2
123.08057	12.0
123.11691	9.9
129.05469	6.6
131.04887	1.8
131.08568	4.7
133.09134	1.9
133.10141	52.5
135.11693	96.9
137.09637	11.3
145.10135	4.7
146.10988	1.8
147.04399	2.1
147.11699	39.0
147.22079	1.7
147.61545	1.7
149.09601	4.8
149.13243	12.0
151.07530	2.9
151.11174	14.5
160.12498	2.4
161.05911	1.9
161.13228	8.2
163.14790	17.9
165.07643	2.3
165.12721	4.5
168.04767	1.8
189.07567	3.0
189.09149	2.5
189.12769	4.0
189.16382	100.0
207.06557	7.5
207.09926	2.9
207.12025	2.7
207.13901	11.7
207.17435	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.25502	0.9
52.18571	1.2
53.03942	2.2
55.05510	12.8
56.96568	12.3
57.03429	2.1
57.07053	2.4
61.02899	1.3
61.15617	1.2
65.03918	1.6
67.05506	17.4
69.03423	8.7
69.06786	1.1
69.07073	13.0
69.40171	9.2
71.04987	2.8
71.17881	1.0
79.05490	11.8
80.81151	1.0
81.03402	2.8
81.07059	36.8
83.04978	6.7
83.08607	4.7
85.02920	2.4
85.06528	2.2
86.98407	1.1
91.04971	1.7
91.05486	20.5
93.07045	27.2
95.04961	1.7
95.08609	56.5
97.10160	3.5
99.04448	2.9
105.07033	41.1
105.07619	0.8
105.07748	1.2
107.08598	35.5
109.06522	1.7
109.10159	20.5
111.04434	1.8
111.08080	3.9
115.04115	1.4
115.96481	1.5
117.07005	3.1
119.04916	1.2
119.08586	54.7
121.10143	15.9
123.08039	3.6
123.11686	7.1
128.04893	3.8
129.05463	3.2
131.08557	4.3
132.04420	1.1
133.10132	41.5
135.11693	12.6
137.05446	3.5
137.09595	3.4
137.13283	1.6
140.48640	1.2
143.00150	1.1
143.55145	1.8
145.10089	4.0
146.10861	2.4
147.04369	2.6
147.06514	1.3
147.08003	1.4
147.11700	32.0
148.65239	1.2
149.05385	2.3
149.09662	2.0
149.13263	50.2
151.07520	1.6
151.11209	2.4
154.06450	2.5
157.01703	2.0
158.05946	1.6
159.11649	2.0
160.12503	2.0
160.56302	1.3
161.01170	2.4
161.03049	1.3
161.13261	12.7
163.07005	3.0
163.14833	6.3
165.12743	1.2
166.08293	1.9
174.14041	2.3
174.57741	1.2
175.02737	6.3
175.04071	1.5
175.08755	6.9
177.16409	1.3
184.09328	6.5
186.59550	3.5
189.07632	1.2
189.16385	100.0
193.03827	2.0
193.09991	5.0
195.60167	2.3
198.04489	1.5
207.06508	5.8
207.13773	4.6
207.17444	55.1
207.19421	2.7
208.17761	1.2
229.07603	1.5
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
53.03949	2.3
55.01870	2.5
55.05504	8.2
57.03437	6.7
57.07068	4.6
59.04990	1.2
60.90940	1.3
61.02917	1.7
65.03956	1.4
67.05511	9.9
69.03431	19.0
69.07071	9.8
69.41873	8.4
69.42277	2.9
71.04983	5.4
71.05334	1.2
79.05482	9.9
81.03404	4.2
81.07063	18.5
83.04990	9.5
83.08616	4.3
85.02888	5.3
85.06533	7.7
91.05484	17.3
93.06477	2.0
93.07044	30.2
95.04951	3.7
95.08612	31.4
97.06520	2.0
97.10143	1.3
98.20776	2.1
98.21432	2.5
99.04437	3.7
103.05387	1.6
105.07037	26.2
107.04958	1.9
107.08602	57.2
109.06521	6.3
109.10152	14.4
110.07206	1.7
111.04457	6.2
111.08056	3.3
117.07001	1.7
119.04946	3.9
119.06066	1.0
119.08584	44.9
121.10132	12.9
123.08067	10.9
123.11712	10.3
125.09641	1.4
129.05493	6.1
131.08549	3.2
133.10135	50.9
135.11699	100.0
136.12035	1.5
137.06013	1.7
137.09619	10.7
145.10103	4.8
145.94392	1.2
146.10815	1.2
147.04442	2.2
147.06509	2.1
147.08029	2.9
147.11694	37.7
148.08704	1.6
149.09627	5.3
149.13254	10.3
151.07539	1.6
151.11218	12.9
159.11705	2.2
160.12518	1.4
161.05969	1.4
161.13264	9.1
163.11157	1.7
163.14853	13.9
165.05499	1.6
165.07715	1.4
165.11433	2.0
165.12743	5.2
175.04048	1.2
179.68683	1.2
189.07568	2.2
189.09084	1.4
189.12773	3.7
189.16391	99.7
207.06369	5.7
207.10020	1.8
207.13828	7.1
207.17438	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	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.61508	1.1
53.03947	1.8
55.01873	2.2
55.05517	8.3
56.32963	1.0
56.80455	1.0
56.96560	1.4
57.07054	1.9
61.02921	1.7
65.03938	3.9
67.05177	1.2
67.05511	14.4
69.03429	8.7
69.07069	11.7
71.04996	2.8
77.03907	2.0
77.16216	1.0
79.05503	9.4
81.03434	2.3
81.07062	31.4
83.04990	5.6
83.08605	4.9
85.02892	2.3
85.06535	1.7
89.03944	1.7
91.05485	48.4
93.07052	24.2
95.04955	3.6
95.08611	56.3
97.10152	4.7
99.04404	2.3
100.57098	1.1
103.05461	2.4
105.07038	43.7
107.04948	2.6
107.08601	29.2
109.06512	3.6
109.10160	19.5
111.04461	1.8
111.08084	2.6
115.05458	1.3
117.07013	3.2
118.04160	4.0
119.04105	1.9
119.04951	33.7
119.08591	51.7
121.06532	2.6
121.10152	14.4
123.04445	1.5
123.08056	4.6
123.11714	7.0
129.03342	1.3
129.05486	2.7
131.04991	1.3
131.08557	4.3
132.02066	1.8
133.06477	2.4
133.10139	44.3
135.04475	1.3
135.11732	7.0
135.12656	1.7
136.05185	3.6
137.09663	3.5
145.06477	1.4
145.10143	3.7
146.03600	4.1
146.10883	2.2
147.04420	32.9
147.08043	2.1
147.11697	34.0
149.02316	5.9
149.05957	1.4
149.09624	2.8
149.13264	35.5
151.07562	5.8
151.11137	1.5
157.04012	4.1
159.11642	1.4
160.12459	2.5
161.05911	1.5
161.09674	1.2
161.13284	13.1
163.14822	4.5
164.04721	7.6
165.05530	2.3
165.12755	1.3
174.03125	5.3
174.14026	2.7
175.03920	38.1
177.12752	1.2
177.16386	1.4
179.07040	10.5
179.18015	2.1
180.36594	1.1
189.05521	1.9
189.09152	2.0
189.12793	3.5
189.16397	100.0
192.04155	8.6
207.06529	44.6
207.09833	1.6
207.13821	9.1
207.17448	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03944	1.9
53.33372	1.0
55.01864	1.1
55.05272	0.8
55.05512	10.1
57.03428	5.1
57.07084	4.2
59.04990	1.6
66.29021	0.8
67.05508	13.6
69.03431	8.7
69.07075	9.7
70.96761	0.8
71.04977	3.0
71.59257	1.1
79.05492	8.2
79.90305	0.8
81.03400	1.6
81.07065	16.1
83.04987	6.9
83.08589	3.5
85.02902	1.1
85.06546	6.0
91.05483	12.1
93.06477	1.6
93.07048	28.8
95.04972	1.6
95.08611	49.8
97.06546	1.8
97.10178	1.3
99.04462	1.7
99.08078	2.0
103.05455	1.3
105.07034	27.2
107.08598	60.5
109.06487	5.7
109.10154	12.2
111.04433	2.4
111.08088	3.5
113.05997	1.8
119.04915	2.4
119.08586	40.6
121.10139	13.4
123.08065	15.1
123.11715	7.8
127.07532	1.3
129.05472	3.0
131.08546	3.5
133.10136	44.6
135.11697	100.0
136.12073	1.7
137.05951	1.2
137.09633	9.5
137.13252	1.5
143.03638	1.0
143.08463	1.1
145.10117	3.6
146.10832	1.8
147.07985	1.3
147.11693	34.5
149.09636	11.2
149.13261	10.5
151.11172	13.6
159.11687	1.0
160.12480	1.3
161.05963	1.5
161.13252	9.0
163.14825	16.6
165.12822	5.3
171.11714	1.1
174.13991	1.2
175.03909	1.8
189.07651	1.4
189.09209	1.3
189.12770	3.6
189.16388	98.4
190.16713	1.6
195.45387	1.0
207.06483	2.6
207.11792	1.6
207.13902	8.9
207.17445	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	207.1746
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.02386	1.4
53.03943	2.3
55.01860	1.7
55.05514	14.1
56.96556	4.7
57.03425	2.9
57.07052	3.3
59.56105	1.0
63.13914	1.1
65.03939	5.4
67.05175	2.0
67.05509	24.7
69.03143	1.1
69.03436	13.6
69.07071	13.3
71.04992	4.1
71.57951	1.3
71.58422	1.1
73.02899	1.0
77.03955	1.4
79.05493	11.1
81.03413	3.9
81.06581	1.7
81.07059	31.7
83.04986	8.6
83.08623	6.0
85.02896	4.4
85.06550	5.0
89.03912	2.0
91.05484	61.2
92.05830	1.7
92.45448	1.0
93.06479	1.4
93.07051	25.3
95.04956	4.2
95.08611	94.1
97.06528	2.6
97.10168	3.7
99.04431	2.6
103.05471	5.4
105.07040	41.2
107.04958	3.1
107.08603	35.9
107.70090	1.3
108.05720	1.8
109.06513	4.5
109.10161	20.7
111.04434	3.1
111.08073	3.6
113.06005	2.2
115.05425	1.9
115.96412	1.3
117.06977	2.5
118.04139	3.4
119.04948	52.3
119.08592	54.5
121.02844	3.1
121.06513	3.7
121.10157	16.7
123.04420	3.0
123.08080	25.5
123.11716	10.9
129.03328	1.5
129.05470	3.9
129.06969	1.4
131.04886	2.1
131.08533	5.2
132.02069	3.5
133.06494	5.8
133.10133	41.6
135.04430	3.5
135.08057	1.9
135.11700	12.3
136.05162	5.6
137.05972	2.8
137.09624	5.9
137.13231	1.3
145.06456	1.5
145.10126	4.8
146.03598	6.7
147.04425	40.3
147.08069	3.9
147.11699	37.4
148.05122	1.4
149.02353	10.2
149.05978	2.4
149.09625	24.9
149.13260	30.0
151.07547	9.5
151.11162	2.5
151.14883	1.4
152.19234	1.3
156.09343	1.4
157.03963	2.2
159.11699	1.5
160.12482	2.4
161.06027	3.3
161.09607	2.5
161.13261	18.2
163.03880	2.1
163.11194	2.1
163.14816	5.9
164.04707	15.0
165.05472	4.1
165.08998	1.2
165.12778	4.5
165.96555	1.1
171.11682	4.3
174.03114	6.7
174.10373	1.6
175.03914	42.2
176.04195	1.2
177.05484	2.0
177.16298	1.8
179.07068	12.2
179.14313	2.3
183.97522	1.3
185.38774	1.1
189.05461	2.6
189.07555	1.5
189.09120	1.8
189.12788	11.8
189.16393	100.0
192.04199	10.1
192.18022	1.0
207.06529	70.8
207.09824	2.9
207.11870	1.7
207.13837	21.9
207.17444	57.5
208.34163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.05517	6.6
57.03424	3.7
57.07069	2.5
61.98900	1.0
67.05510	7.9
69.03442	5.5
69.07069	9.5
71.04981	2.9
71.42684	1.2
77.90060	1.0
78.33382	1.1
79.05497	8.5
79.16013	1.0
81.03391	1.2
81.07062	16.9
83.04982	5.9
83.08615	4.4
85.02882	2.2
85.06547	4.8
91.05482	10.7
93.07053	29.0
95.04996	1.6
95.08614	31.3
97.06552	1.5
97.10168	1.8
99.04465	1.0
99.08107	1.4
105.07043	22.8
107.08600	53.2
109.06507	4.3
109.10162	14.1
111.04437	1.8
111.08068	3.5
112.58011	1.0
113.09668	1.1
114.13960	1.0
119.04924	1.5
119.08586	37.7
121.10149	12.3
123.08080	7.1
123.11707	7.0
125.09606	1.4
129.05463	3.2
131.08553	2.2
133.10139	47.6
135.11700	100.0
136.12027	1.2
137.09624	9.7
137.10611	1.4
143.03645	1.4
145.10081	4.7
146.10890	1.6
147.04424	1.5
147.11690	33.6
149.09613	1.9
149.13268	10.9
151.11189	13.2
160.12479	1.3
161.13243	5.9
163.14824	15.4
165.12788	2.7
165.16414	1.5
177.94377	1.0
189.16389	90.3
207.06543	4.3
207.13951	2.9
207.17451	68.4
208.17761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03939	5.2
55.01858	6.7
55.05523	26.2
56.96571	24.4
57.03422	7.7
57.07068	8.8
61.02930	9.3
61.81464	4.0
62.09109	4.0
62.31285	3.9
63.76976	3.8
65.03928	6.7
67.05508	39.7
69.03432	53.1
69.07071	23.0
71.04998	12.4
71.58590	4.4
71.59010	5.1
77.10098	4.1
79.05501	27.2
81.03410	18.3
81.07064	44.3
83.04977	31.6
83.08607	8.3
84.07995	4.2
85.02898	19.0
85.06518	5.4
91.05486	71.5
93.07059	32.4
95.04949	11.7
95.08615	66.2
99.04438	12.9
103.05495	6.7
103.52276	4.4
105.07034	45.9
107.08604	64.2
109.06499	16.3
109.10177	21.3
110.29624	4.3
111.04427	16.9
113.05983	4.4
115.96433	11.8
117.07077	6.1
119.04197	4.8
119.04945	36.0
119.08593	62.4
121.06453	8.9
121.10133	18.6
121.97574	7.1
123.08078	20.5
123.11696	14.9
126.05081	5.5
128.97855	7.2
129.05519	21.6
129.06990	8.8
131.08569	9.7
133.06458	4.5
133.10138	46.2
133.55936	5.0
135.08018	5.0
135.11694	56.3
137.05995	14.0
137.09604	12.8
142.03326	3.9
143.00143	6.7
143.03549	9.6
145.10098	9.9
147.04457	32.8
147.05545	6.3
147.08064	9.5
147.11702	45.9
149.02348	7.7
149.09621	11.5
149.13264	15.8
151.07578	12.4
151.11186	11.5
161.01276	6.9
161.05957	6.8
161.13269	32.2
163.03897	3.9
163.11285	5.1
163.14832	10.2
164.04588	4.7
165.05469	7.9
165.12846	7.0
166.08192	6.6
171.11690	7.6
174.03140	5.2
175.03943	31.1
175.08842	9.9
179.07079	9.5
184.04617	4.8
184.09256	7.0
189.05611	5.9
189.07614	4.5
189.12801	26.3
189.16379	100.0
192.04169	9.9
193.09760	4.6
195.59148	5.1
207.06526	76.1
207.09787	4.7
207.11833	7.5
207.13777	44.5
207.17500	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03935	1.2
55.01858	2.0
55.05511	7.2
57.03442	5.1
57.07068	4.0
59.04968	1.1
61.02939	1.1
67.05505	11.1
69.03442	8.5
69.06776	1.0
69.07074	10.0
69.84461	5.5
71.04984	2.8
77.03928	1.4
79.05474	8.4
81.03409	2.1
81.06577	1.6
81.07053	20.9
83.04987	6.4
83.08632	2.3
85.02909	2.1
85.06539	6.3
89.85914	1.0
91.05470	11.6
93.07048	29.6
95.04983	1.5
95.08605	42.1
97.06522	1.9
97.10167	1.1
99.04436	3.0
99.08083	1.2
103.05440	1.2
105.06386	1.7
105.07030	24.0
107.08599	49.3
109.06523	7.1
109.10162	14.2
111.04436	2.2
111.08070	3.0
117.07008	1.3
119.04898	1.8
119.08585	38.1
120.02000	1.2
121.06483	1.4
121.10147	12.4
123.04324	1.0
123.08088	6.8
123.11684	8.3
125.09628	1.2
127.07580	1.3
129.05473	3.8
129.06990	1.3
131.08604	3.5
133.09103	2.2
133.10132	46.8
135.11694	100.0
137.05989	1.6
137.09621	10.0
137.13223	1.8
143.03664	1.2
145.10139	3.2
147.04408	2.9
147.11687	35.0
149.02203	1.1
149.09607	2.6
149.13252	11.3
150.02631	1.1
151.11179	14.2
157.06305	0.9
161.05969	1.9
161.13254	7.7
163.14833	16.4
163.16129	1.8
165.12752	2.1
171.11823	1.3
174.14023	1.1
175.03902	1.7
179.07117	2.1
188.42587	1.1
189.07629	2.3
189.09195	1.2
189.16385	98.4
190.16701	1.8
192.14665	4.8
207.06508	3.9
207.09912	1.2
207.13828	3.6
207.17450	69.8
208.17818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
53.03940	1.1
55.01894	0.6
55.05516	5.6
57.03442	1.0
57.07077	1.1
59.05018	0.7
61.02935	0.8
65.03925	0.9
67.05508	20.8
69.03432	7.1
69.07070	7.9
70.92721	1.3
70.93058	0.6
71.04991	1.5
79.05490	3.2
81.03409	1.8
81.07059	8.8
83.04995	4.0
83.08604	1.3
85.02899	2.4
85.06540	1.1
88.23317	0.6
91.05475	4.7
93.07047	10.8
95.04965	2.8
95.08607	100.0
97.06514	0.9
99.04460	2.2
99.08118	0.8
105.07024	8.3
107.03336	0.6
107.08591	10.2
109.06521	8.8
109.10142	6.6
111.04437	2.6
111.08092	2.3
113.09721	0.7
119.04911	1.1
119.08588	8.3
119.09377	1.0
120.19723	0.6
121.10146	5.0
123.08099	2.9
123.11684	3.3
128.45767	0.7
129.05486	2.4
131.08542	0.9
133.10129	10.6
135.11685	4.7
137.09631	3.0
137.13187	0.5
146.10873	0.7
147.04420	1.6
147.06523	1.3
147.11700	6.8
149.09612	1.1
149.13248	3.3
151.11197	4.5
153.09149	0.6
161.02899	0.9
161.13287	3.0
163.14827	5.2
165.05469	0.7
165.12752	0.8
189.07576	1.0
189.12668	1.2
189.16382	16.9
207.06502	2.9
207.09787	0.8
207.11990	0.8
207.13757	3.3
207.17450	22.8
207.19308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03945	3.1
55.01869	1.2
55.05521	9.8
56.96561	2.6
57.03428	5.7
57.03665	1.2
57.07068	5.6
61.02936	1.9
67.05519	11.9
67.14127	1.1
69.03438	13.8
69.07075	15.0
69.90143	5.5
71.04987	6.4
79.05503	10.8
79.07305	1.2
81.03403	3.8
81.07066	21.4
83.04991	11.8
83.08618	3.0
85.02901	4.1
85.06570	6.2
91.05482	14.9
91.92087	1.3
93.07055	30.6
95.04977	2.9
95.08619	38.3
97.06547	1.7
97.10128	2.2
99.04458	3.6
99.08083	1.5
103.05431	1.3
105.07040	25.6
107.08606	56.7
109.06564	5.8
109.10160	13.5
111.04441	5.2
111.08081	3.5
115.96438	3.5
117.07027	3.0
119.04961	4.8
119.08587	44.2
121.10153	14.8
123.04449	1.4
123.08074	9.0
123.11720	9.2
125.09639	1.4
127.07587	1.5
129.05467	5.4
129.80574	1.3
131.08597	3.2
133.06459	3.1
133.10143	48.4
133.97446	1.2
135.11707	96.6
137.09619	7.1
137.13223	1.3
143.03662	3.2
145.10135	3.0
146.10876	1.7
147.04433	5.6
147.11700	37.7
149.09615	3.7
149.13284	12.1
151.07552	2.3
151.11188	13.2
151.99435	1.6
159.11694	1.7
160.12543	1.2
161.02968	2.5
161.04735	1.4
161.05965	2.4
161.09637	1.5
161.13245	8.4
163.14841	16.6
165.05478	1.7
165.12733	3.6
175.03903	2.4
177.12805	1.4
179.07030	2.7
179.14410	1.8
189.05510	1.5
189.07669	2.4
189.12825	3.8
189.16400	100.0
207.06549	14.3
207.13850	9.6
207.17459	67.8
225.09753	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.00995	0.9
53.03945	1.6
53.79313	1.1
54.82016	0.9
55.01874	1.2
55.05519	9.3
56.96570	1.0
57.03431	4.1
57.07065	2.4
57.15829	1.0
61.02906	1.2
61.59925	1.2
65.03936	1.5
67.05508	13.5
69.03439	10.9
69.07073	12.3
70.69622	2.3
71.04982	3.5
79.05495	10.5
81.03415	2.7
81.06586	1.1
81.07059	16.6
83.04968	6.6
83.08617	4.4
85.02905	3.3
85.06537	5.0
91.05486	11.8
93.07050	24.0
95.04961	3.6
95.08615	43.1
97.06545	2.4
97.10149	1.4
99.04454	3.4
105.07033	25.5
107.08602	53.0
108.08901	1.3
109.06523	5.8
109.10162	11.9
111.04461	2.9
111.08076	3.2
115.05482	1.0
115.96456	1.8
117.07030	2.0
119.04935	3.0
119.08589	40.3
121.06506	1.0
121.10142	12.0
123.08074	9.3
123.11722	7.7
124.81571	1.0
125.09663	1.0
129.05489	4.1
131.08571	2.4
133.09106	1.9
133.10136	46.3
135.11703	88.1
137.09619	9.0
137.13260	1.4
145.10110	2.6
147.04399	2.7
147.08138	1.1
147.11705	31.6
149.09697	1.4
149.13257	11.0
151.07477	1.0
151.11194	11.2
160.12442	1.6
161.01236	1.0
161.13278	8.3
163.14833	14.9
165.05534	0.9
165.12825	2.2
165.16373	1.0
171.11653	1.4
175.03944	1.9
184.06781	1.4
185.88020	1.1
189.07549	1.1
189.12798	2.6
189.16400	100.0
190.16817	2.0
200.01494	1.1
207.06531	8.4
207.12010	1.8
207.13847	6.8
207.17468	69.6
209.76660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
53.03942	1.0
55.01877	0.4
55.05520	5.1
57.03445	0.4
57.07076	1.0
59.08783	0.3
63.95393	0.4
65.03949	0.7
67.05509	20.8
69.03435	4.1
69.07072	6.1
69.22041	3.3
71.04993	1.3
71.41968	0.3
79.05495	2.0
80.06270	0.6
81.03429	0.8
81.07069	5.4
83.04990	3.3
83.08620	1.2
85.02914	1.3
85.06552	0.5
89.59114	0.4
91.05486	2.7
93.07055	7.1
95.04958	3.2
95.08614	100.0
96.08972	0.6
97.06541	0.6
99.04473	1.1
103.67104	0.4
105.07037	5.7
107.08611	7.0
109.06528	11.0
109.10174	2.7
111.04453	1.6
111.08083	1.8
119.08595	5.3
121.10143	2.9
123.08092	2.2
123.11729	2.5
125.09629	1.2
129.05487	1.6
133.10150	5.9
135.11685	1.4
137.05977	0.9
137.09624	2.5
143.08611	0.4
145.10216	0.5
145.47890	0.4
147.04402	0.8
147.11682	4.7
149.09644	1.2
149.13278	1.4
151.07489	0.4
151.11201	3.0
161.09587	0.5
161.13235	1.9
163.11157	0.5
163.14824	2.8
165.05435	0.5
165.12772	2.3
189.07523	0.6
189.12698	1.1
189.16400	7.5
207.06587	1.2
207.09915	0.6
207.13907	3.5
207.17451	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	207.1744
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
53.03944	1.0
55.01874	0.9
55.05296	0.7
55.05521	7.4
56.10599	0.6
56.96564	2.6
57.03436	2.4
57.07078	2.4
61.02925	1.8
64.75889	0.6
65.03946	1.3
67.05508	23.7
69.03435	7.6
69.07072	7.1
69.88762	0.6
70.70016	0.6
70.78310	1.0
70.78638	1.0
71.04986	3.0
73.02916	0.6
73.63050	0.6
79.05489	6.2
81.03422	1.3
81.07062	9.7
81.45886	0.6
83.05002	5.7
83.08631	2.7
85.02908	3.5
85.06544	1.3
90.07452	0.6
91.05482	6.5
93.07051	16.4
95.04990	5.4
95.08612	100.0
96.08928	1.1
97.06495	1.3
98.97541	0.8
99.04479	2.5
103.05484	1.0
105.07034	12.0
107.07004	0.6
107.08602	15.7
109.06523	12.2
109.10165	8.1
111.04440	2.9
111.08103	2.6
115.96445	1.0
119.04938	1.6
119.08588	14.5
121.06519	1.2
121.10152	5.8
123.08096	7.4
123.11722	4.7
125.09631	3.2
129.05495	3.7
129.06953	1.0
133.06491	1.0
133.10130	13.9
135.11713	12.8
137.05952	2.4
137.09583	4.0
137.13293	1.0
145.10118	1.6
147.04411	2.2
147.06496	0.7
147.08067	0.9
147.11688	10.8
149.09647	3.4
149.13290	3.2
151.07559	1.6
151.11197	5.4
151.14838	0.6
161.03012	0.8
161.05981	0.9
161.09508	1.0
161.13275	7.0
163.11237	0.9
163.14867	5.6
165.05499	0.6
165.12762	5.6
165.27237	0.7
171.11642	1.5
175.08806	1.3
184.09344	1.3
189.07593	2.2
189.09140	1.1
189.12730	3.3
189.16399	21.9
207.06499	3.0
207.09891	0.9
207.11856	1.3
207.13820	9.0
207.17458	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	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03930	2.9
55.01888	1.6
55.05515	11.4
56.96550	2.2
57.03426	7.3
57.07067	4.5
61.02928	2.0
67.05509	15.3
67.32746	1.6
69.03427	19.4
69.07065	12.5
69.91411	6.4
71.04984	5.2
78.47646	1.5
79.05492	11.7
81.03400	4.3
81.07060	21.9
83.04984	13.6
83.08605	3.2
85.02892	5.4
85.06554	3.8
91.05482	18.8
93.07050	35.4
95.04993	2.6
95.08607	49.7
97.06571	2.4
97.10147	2.3
99.04461	3.5
105.07041	29.4
107.04922	1.7
107.08601	59.4
109.06537	8.3
109.10165	12.7
111.04426	5.1
111.08073	4.1
119.04906	4.3
119.08588	52.6
121.10130	13.2
123.08067	12.8
123.11683	9.7
129.05486	4.8
131.08546	3.7
133.10143	47.3
135.11696	91.2
136.11987	2.1
137.09602	9.6
137.13249	2.4
143.03674	1.7
145.10132	3.5
147.04425	5.0
147.11688	39.3
149.09610	2.1
149.13272	13.5
151.07521	3.9
151.11172	14.1
161.01257	1.8
161.05978	2.6
161.13242	12.1
163.14856	15.4
164.11916	2.1
165.12755	4.7
175.03891	3.3
189.12775	5.3
189.16383	100.0
207.06535	6.6
207.09685	2.2
207.13794	11.4
207.17444	78.9
208.17905	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0966
Annotation	Thalifoline
Peak:m/z	Relative Intensity
53.03938	0.2
53.54640	0.1
55.65826	0.1
59.01394	0.2
65.03928	0.3
67.05499	0.1
68.05003	0.1
69.69170	0.2
69.69584	0.5
79.05481	0.3
80.05038	0.2
81.99692	0.1
91.05489	0.5
92.05014	0.4
95.04987	0.3
96.04478	0.2
98.21137	0.4
104.04987	2.2
104.60899	0.1
105.04501	0.1
105.05729	0.5
106.03264	0.1
106.07333	0.2
110.06067	0.7
118.06551	0.3
120.08117	2.1
121.10133	0.1
122.06036	2.7
124.20842	0.1
126.09965	0.2
132.04463	2.6
134.06015	1.0
142.31348	0.1
149.08305	0.1
150.05583	0.2
150.09917	0.2
164.07072	78.2
164.39153	0.1
165.07402	0.4
176.07098	0.2
177.07736	0.2
190.08652	0.5
190.13124	0.3
208.09697	100.0
209.10121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0445
Annotation	3-[(1-Carboxyvinyl)oxy]benzoate
Peak:m/z	Relative Intensity
53.00309	7.8
53.03947	2.5
55.01874	8.7
55.05258	1.0
55.05510	10.5
57.03443	1.1
60.65195	0.5
65.03943	36.1
65.13445	0.5
67.01854	1.2
67.05508	14.5
68.99794	1.1
69.03431	37.4
69.07063	1.3
71.01353	3.6
71.04993	0.7
71.08999	1.1
72.69730	0.6
75.04473	1.7
77.03940	1.2
78.04714	2.1
79.05492	13.8
80.09502	0.5
81.03424	1.3
81.07043	3.6
83.04984	49.5
83.08618	1.2
85.02896	3.2
89.03924	1.9
91.05485	12.4
93.03407	74.9
93.07038	4.8
95.01332	46.2
95.04971	13.1
95.08583	3.2
97.02878	6.1
97.06547	1.9
103.05464	5.9
105.03368	1.2
105.04520	1.3
105.07016	1.6
106.04184	11.3
106.92647	0.5
107.04960	12.6
107.08598	3.8
109.02917	0.9
109.06540	3.1
109.10163	1.2
111.04444	67.4
111.08040	0.7
112.04784	0.7
113.02398	3.0
117.03401	2.6
119.04937	2.3
121.02872	70.2
121.06504	12.8
121.10133	1.9
123.00795	39.5
123.04417	1.6
123.08057	0.9
125.02373	1.9
125.06010	3.3
125.09612	1.8
131.04907	2.0
131.08580	1.1
133.02863	1.0
133.10136	1.3
134.03627	3.1
135.04419	9.9
135.08063	1.8
137.02408	0.6
137.05998	1.7
138.03136	0.7
139.03906	63.7
139.07506	1.1
141.01814	9.5
145.02888	3.4
147.04398	1.7
148.05199	2.9
149.02344	40.3
149.05983	15.8
149.09645	1.5
149.13254	1.5
151.03873	0.8
151.11180	2.5
152.08252	0.8
153.05489	1.5
153.09094	4.5
159.04433	1.0
163.02536	1.1
163.03909	18.5
163.07516	2.1
163.11270	0.6
163.14851	0.7
165.12782	0.7
167.03407	59.6
167.14345	1.2
168.03786	0.8
173.13300	1.5
173.48730	0.6
177.05504	13.3
179.03493	0.7
181.04939	2.3
181.08609	4.0
185.04443	1.2
191.03416	5.9
191.07028	5.4
191.10641	1.0
191.14299	3.1
209.04453	100.0
209.08038	6.5
209.10112	1.9
209.15338	6.1
210.04877	0.8
227.05501	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0445
Annotation	3-[(1-Carboxyvinyl)oxy]benzoate
Peak:m/z	Relative Intensity
50.01590	0.7
51.23418	0.7
53.00084	0.6
53.00311	9.1
53.03928	1.9
55.01625	0.8
55.01871	11.4
55.05269	0.9
55.05511	12.4
56.13565	0.6
56.13875	0.6
56.61381	0.5
56.96548	1.8
57.03410	0.6
57.07074	1.0
57.91087	0.6
59.17866	0.6
63.26733	0.5
65.03941	35.1
67.01852	1.4
67.05504	14.4
68.99787	1.7
69.03430	39.6
69.07050	1.1
70.58379	0.9
70.58741	1.5
71.01347	3.2
71.04992	1.0
77.03917	1.2
78.04680	0.8
79.05070	1.1
79.05494	14.0
81.03414	2.0
81.07055	4.0
83.04983	49.8
83.08600	0.6
83.50851	0.6
85.02892	2.7
85.06521	0.7
89.03901	2.5
91.05486	10.4
92.63081	0.6
93.03408	74.4
93.07047	5.2
94.03751	0.5
95.01330	47.1
95.04967	11.9
95.08585	2.3
96.32212	0.6
97.02888	6.8
97.06498	1.6
97.10172	0.9
97.99202	0.8
99.04453	0.8
103.05462	6.4
105.04510	1.6
105.07024	1.2
106.04189	5.6
106.92305	0.6
107.04960	10.9
107.08591	4.1
109.02869	1.3
109.06548	3.0
109.10117	1.7
111.04444	70.5
113.02386	3.6
117.03359	3.6
119.04941	1.9
119.08525	1.0
120.05736	0.9
121.02871	67.2
121.06503	10.5
121.10141	2.2
123.00795	34.1
123.04439	1.6
123.08107	0.7
125.02344	1.7
125.05981	2.4
125.09619	1.9
131.04921	2.7
131.08536	1.2
133.02850	0.7
133.10118	1.6
134.03600	1.6
135.04427	12.2
135.08072	2.2
135.11694	0.9
137.02367	0.6
137.05988	1.8
138.03079	1.0
139.03902	69.0
141.01830	7.6
145.02846	4.3
145.10121	1.3
147.04398	1.8
147.11624	0.9
148.05164	2.6
149.02345	31.5
149.05989	11.2
149.09636	1.5
149.13268	2.1
151.03905	1.1
151.11163	2.2
152.08209	2.5
153.05478	2.3
153.09128	3.2
158.58240	0.6
163.02551	1.0
163.03911	19.8
163.07501	2.7
163.11139	0.7
163.14757	0.9
165.12733	1.1
166.06271	1.4
166.07553	0.8
167.03406	59.2
167.14323	1.4
167.58786	0.8
172.85118	0.7
173.13246	2.1
177.05486	13.7
181.04956	2.5
181.08525	3.3
185.04547	0.9
191.03357	4.4
191.07043	5.8
191.14258	3.0
194.05756	0.9
209.04454	100.0
209.08060	9.9
209.10245	4.0
209.13431	0.8
209.15327	8.1
227.05505	22.9
227.07704	1.1
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	Methyl ferulate
Peak:m/z	Relative Intensity
51.02382	1.4
53.00301	2.0
53.03956	8.5
54.04734	1.3
55.01877	21.8
55.05510	4.7
57.03433	1.4
57.07069	1.5
65.03941	17.1
67.05495	5.8
69.03436	6.6
69.07068	2.7
69.86198	4.7
69.86612	2.0
71.04990	2.0
75.04485	11.1
77.03918	2.9
78.04720	8.2
79.05492	11.3
81.03410	2.2
81.07059	5.3
83.04986	9.9
83.08607	2.5
85.02907	7.5
89.03933	7.6
89.06041	2.4
91.05488	46.9
93.03416	39.3
93.07056	19.2
95.01338	7.9
95.04971	18.7
95.08608	2.4
97.06535	9.0
103.05480	22.4
105.03396	2.5
105.04497	2.4
105.07029	4.2
106.04183	75.7
107.04964	9.2
107.08602	6.5
108.05744	1.8
109.06534	6.2
109.10155	1.9
110.03627	1.6
111.04451	12.2
111.08100	1.4
117.03407	6.8
118.04154	2.4
119.04921	4.3
119.08607	1.4
120.05746	3.1
121.02868	15.8
121.06519	83.8
121.10133	3.3
122.07314	1.9
123.00822	7.8
123.04427	3.0
123.08092	3.6
124.05175	2.3
125.06001	20.2
125.09618	1.8
131.04959	8.1
131.05785	1.8
133.06467	2.2
133.10106	1.5
134.03642	14.0
135.04390	7.0
135.08051	3.6
137.05963	11.6
138.06720	3.1
139.03940	8.7
139.07559	3.5
141.01801	1.6
145.02853	10.1
147.04428	2.7
148.05223	9.0
149.02365	13.6
149.05991	100.0
149.13203	2.6
151.03871	1.9
151.07556	3.6
151.11176	4.4
152.08244	3.0
153.05467	7.1
153.09119	22.0
159.04393	3.0
163.03911	4.4
163.07545	7.4
164.63362	1.3
165.05417	2.5
165.12796	7.5
166.06290	2.7
167.03423	22.4
167.07071	2.5
167.14319	3.8
173.13313	1.7
174.68661	1.3
176.04655	3.0
177.05486	53.9
180.07809	2.0
181.08615	20.7
191.03421	2.4
191.07050	14.6
191.14339	4.3
194.66736	1.3
209.04497	18.0
209.08139	30.4
209.10126	4.0
209.13545	1.8
209.15388	9.7
227.05417	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03952	6.6
55.01877	8.0
55.05516	1.7
57.03434	1.2
63.77439	1.2
64.48508	1.2
65.03948	9.9
67.05489	3.9
69.53806	9.2
71.61398	1.3
75.04478	11.6
76.42467	1.2
77.03922	2.0
78.04715	10.9
79.05503	6.6
81.07032	2.1
83.04961	2.3
85.02914	8.5
85.06521	1.3
89.03908	4.5
89.06010	2.3
89.92315	1.3
91.05482	41.5
93.03413	28.2
93.07045	16.6
95.04967	17.8
95.08610	1.7
97.06545	12.2
103.05474	17.9
105.04523	3.5
105.07004	4.1
106.04178	78.5
107.04933	4.2
107.08607	2.9
108.05715	1.9
109.02882	1.6
109.06520	8.0
111.04432	1.5
117.03362	5.4
118.04139	1.7
119.04912	2.9
119.08598	1.4
121.06511	83.5
121.10145	2.0
122.03635	2.1
122.07255	1.8
123.04424	3.8
123.08046	3.1
124.05198	1.9
125.05986	21.0
131.04909	5.4
131.05856	1.4
133.02794	1.4
133.10115	3.9
134.03629	12.2
135.04370	2.9
135.08031	2.1
137.05997	12.8
138.06728	3.1
139.07524	5.6
145.02806	4.2
148.05190	7.7
149.05988	100.0
151.03906	2.2
151.07513	3.9
153.05464	5.6
153.09116	21.3
159.04414	3.0
163.07558	4.6
165.05460	2.6
166.06204	2.6
173.13272	1.5
177.05475	46.4
181.08598	19.1
191.07004	4.1
191.14302	2.7
197.53166	1.2
209.08070	20.9
209.09962	2.2
209.15302	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03944	8.1
55.01879	8.7
55.05509	1.3
57.03444	1.8
63.55137	1.2
65.03947	10.5
67.05497	3.6
69.07092	1.0
71.04987	1.6
71.12553	2.4
75.04485	9.3
77.03956	1.1
78.04719	11.3
79.05497	6.9
81.03406	1.3
81.07066	3.1
81.82616	1.0
83.05006	1.3
85.02910	8.1
89.03915	5.4
89.06038	2.9
91.05486	38.8
93.03413	28.5
93.07053	16.8
95.04973	17.4
95.08646	1.6
96.14237	1.1
97.06538	13.4
99.04453	1.7
100.24174	1.1
103.05469	16.4
105.03394	3.0
105.04528	3.4
105.07027	3.2
106.04181	79.8
107.04974	4.7
107.08604	3.5
108.05742	2.1
109.06522	16.5
109.10152	2.7
111.04462	2.6
111.08119	1.4
117.03407	3.1
119.04935	2.8
121.06512	72.1
121.10163	4.1
122.03677	1.5
122.07285	1.3
123.04435	4.6
123.08068	2.2
124.05201	2.7
125.06002	19.2
131.04944	6.1
133.02867	1.3
133.06490	1.7
133.10135	5.6
134.03642	12.0
135.04469	2.7
135.08046	3.0
137.05978	13.9
138.06801	4.1
139.07529	7.2
140.76929	1.0
144.83052	1.1
145.02887	3.6
147.04393	1.6
148.05190	7.3
149.05989	100.0
149.13255	1.2
151.03929	2.6
151.07584	4.1
151.11206	3.0
153.05484	5.2
153.09113	25.1
159.04384	1.5
163.07562	5.5
165.05504	1.6
165.12762	1.5
166.06253	3.0
167.06982	1.6
173.13287	4.1
175.42802	1.3
176.04837	1.0
177.05475	41.0
181.08594	23.0
191.07083	3.6
191.14256	5.5
209.08096	17.1
209.15291	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02368	1.6
53.03945	8.0
55.01876	16.7
55.05516	5.7
63.95542	1.0
65.03947	10.4
67.05512	7.8
68.99789	1.2
69.03437	1.3
69.07066	1.5
69.86047	3.3
69.86440	1.9
71.04943	1.7
73.53105	1.1
75.04485	11.5
77.03913	2.0
78.04715	11.3
78.42593	1.1
79.05505	8.5
81.03416	1.7
81.07047	2.0
82.04183	1.6
82.61726	1.0
83.04996	6.5
83.08619	3.3
85.02908	8.4
89.03908	6.6
89.06042	2.9
91.05487	43.1
93.03410	27.0
93.07053	16.6
95.01360	1.7
95.04977	17.4
97.06526	10.0
98.20869	1.9
103.05481	19.9
103.63221	1.1
105.03382	2.5
105.04516	3.9
105.07018	3.2
106.04180	83.8
107.04995	5.2
107.08578	4.3
108.05683	1.3
109.06499	4.3
109.10169	2.4
110.03677	1.6
110.07304	2.0
111.04476	2.8
117.03362	7.5
118.04153	2.1
119.04909	3.7
120.05734	1.5
121.02882	1.5
121.06512	75.7
121.10123	1.4
122.07298	1.3
123.04417	4.0
123.08071	3.0
123.11671	2.1
124.05219	2.1
125.05994	19.6
125.09579	1.3
131.04950	6.1
131.08528	1.2
133.02895	2.2
133.06464	1.8
133.10129	1.4
134.03653	12.0
135.04424	3.3
135.08000	2.0
137.05978	12.3
137.09572	1.6
138.06746	3.6
139.03914	1.6
139.07538	5.1
145.02817	5.1
147.04448	2.4
148.05180	9.0
149.02351	2.7
149.05992	100.0
149.13243	1.6
151.03886	1.9
151.07555	4.6
151.11176	4.4
152.08263	1.4
153.05505	5.6
153.09113	19.7
159.04443	2.0
163.07555	5.4
165.05487	2.0
166.06271	3.6
167.03410	3.4
167.07021	1.3
167.14339	4.2
176.04678	1.4
177.05486	49.9
181.08611	25.1
183.24619	1.1
191.03319	1.1
191.06993	6.7
191.14352	2.4
193.47278	1.3
194.05814	1.5
209.04454	1.6
209.08112	23.0
209.09933	2.1
209.15466	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	209.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01871	9.4
55.05505	5.8
56.96569	37.9
57.03441	9.4
60.77514	1.6
65.39202	1.6
67.05521	8.7
67.05825	1.5
67.18591	1.7
69.03416	3.7
69.07076	10.7
69.45787	6.5
69.46212	5.9
71.04993	11.3
74.02423	1.9
74.33895	1.5
75.82675	1.7
79.05495	40.6
80.05826	5.0
81.07060	52.0
82.07384	14.5
83.04975	7.4
83.08627	1.9
85.02959	2.0
85.06536	3.1
91.05492	24.3
92.05810	1.8
93.03400	1.7
93.07047	46.3
94.06563	4.6
94.07383	4.5
95.04980	9.3
97.06515	6.9
99.04421	2.1
103.05480	4.0
105.07034	19.5
106.04166	3.5
106.12994	1.9
107.04963	14.7
107.08607	46.4
108.08907	5.2
109.06501	5.7
109.10159	3.2
110.19052	1.5
111.04465	2.4
115.00680	2.5
117.07011	4.4
119.01737	1.6
119.08572	5.1
121.06521	24.3
121.10149	19.3
123.08058	3.1
123.55826	1.8
125.05991	2.6
125.09592	2.1
127.00684	5.8
129.02229	3.1
129.06985	2.2
130.02556	2.0
131.08575	57.5
133.06467	3.5
133.10117	2.2
135.08058	15.8
135.11668	7.8
136.07521	2.0
139.07523	2.5
141.05560	2.1
145.01787	10.9
145.02785	3.6
145.06581	2.0
145.10136	25.2
146.02057	3.3
146.05995	4.2
147.08037	4.1
147.11647	2.4
149.02322	2.3
149.05975	6.8
149.09625	100.0
149.13231	2.0
151.11151	2.2
153.05464	6.4
153.09131	2.1
162.58195	7.2
163.02780	6.8
163.11188	21.9
165.09091	3.9
167.03487	3.4
167.07025	3.6
167.10660	6.1
171.03204	1.8
171.58736	3.9
172.08760	2.4
172.60268	7.8
173.09601	3.1
173.13330	2.0
177.05452	8.1
181.08714	1.8
181.60789	9.8
182.10881	3.5
183.03307	2.1
190.61293	16.4
191.07108	3.6
191.10635	21.3
191.14320	6.1
199.61948	3.6
209.04367	3.3
209.08443	8.1
209.10104	2.4
209.11746	39.3
209.15331	6.6
210.08728	3.8
227.09547	15.7
228.09842	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	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.08196	1.3
53.03947	2.1
55.01874	9.7
55.05503	5.9
57.03433	3.7
57.07064	1.4
65.03934	3.7
65.23732	1.2
65.69334	1.2
67.05514	22.7
69.03424	4.2
69.07073	10.3
71.04642	2.4
71.04997	22.0
77.03934	1.9
79.05498	37.6
81.03373	1.3
81.07067	12.7
83.04988	9.1
83.08618	1.6
85.06535	5.0
87.04456	1.7
91.05486	23.8
93.07052	29.2
95.04984	12.8
95.08585	4.0
97.02924	1.3
97.06527	7.5
99.04443	3.0
101.31999	1.2
103.05459	4.2
105.07039	24.4
107.04964	21.6
107.07867	2.4
107.08603	41.9
109.06528	8.3
109.10086	1.2
111.04474	5.9
111.08078	1.8
111.22302	1.3
116.06223	1.3
117.03413	1.3
117.07035	7.2
119.04964	1.5
119.08583	14.3
121.02881	3.0
121.06508	26.1
121.10153	28.6
123.04418	4.6
123.08093	3.7
125.06002	9.8
125.09602	1.7
129.07013	7.5
131.04976	1.2
131.08577	80.6
133.10123	4.1
135.04422	2.5
135.08101	6.8
135.11697	8.2
137.06018	2.5
137.09630	1.8
139.07556	2.2
140.38048	1.3
145.06462	2.8
145.10132	41.1
146.05936	1.3
147.08049	8.3
147.11621	2.1
149.02347	3.0
149.06041	6.6
149.09631	100.0
151.11189	2.0
153.05478	7.9
153.09125	4.4
155.07066	3.0
155.08629	2.2
163.07570	4.2
163.11195	32.3
165.09103	16.4
165.12798	1.5
167.03386	9.9
167.07060	3.3
167.10696	17.6
172.09106	1.4
173.09650	10.3
173.13245	1.3
177.05550	3.3
179.10672	1.6
191.10677	63.8
191.14301	4.1
201.28284	1.4
209.04485	2.4
209.08276	3.3
209.11749	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03944	1.8
55.01871	9.4
55.05505	5.8
56.96569	37.9
57.03441	9.4
60.77514	1.6
65.39202	1.6
67.05521	8.7
67.05825	1.5
67.18591	1.7
69.03416	3.7
69.07076	10.7
69.45787	6.5
69.46212	5.9
71.04993	11.3
74.02423	1.9
74.33895	1.5
75.82675	1.7
79.05495	40.6
80.05826	5.0
81.07060	52.0
82.07384	14.5
83.04975	7.4
83.08627	1.9
85.02959	2.0
85.06536	3.1
91.05492	24.3
92.05810	1.8
93.03400	1.7
93.07047	46.3
94.06563	4.6
94.07383	4.5
95.04980	9.3
97.06515	6.9
99.04421	2.1
103.05480	4.0
105.07034	19.5
106.04166	3.5
106.12994	1.9
107.04963	14.7
107.08607	46.4
108.08907	5.2
109.06501	5.7
109.10159	3.2
110.19052	1.5
111.04465	2.4
115.00680	2.5
117.07011	4.4
119.01737	1.6
119.08572	5.1
121.06521	24.3
121.10149	19.3
123.08058	3.1
123.55826	1.8
125.05991	2.6
125.09592	2.1
127.00684	5.8
129.02229	3.1
129.06985	2.2
130.02556	2.0
131.08575	57.5
133.06467	3.5
133.10117	2.2
135.08058	15.8
135.11668	7.8
136.07521	2.0
139.07523	2.5
141.05560	2.1
145.01787	10.9
145.02785	3.6
145.06581	2.0
145.10136	25.2
146.02057	3.3
146.05995	4.2
147.08037	4.1
147.11647	2.4
149.02322	2.3
149.05975	6.8
149.09625	100.0
149.13231	2.0
151.11151	2.2
153.05464	6.4
153.09131	2.1
162.58195	7.2
163.02780	6.8
163.11188	21.9
165.09091	3.9
167.03487	3.4
167.07025	3.6
167.10660	6.1
171.03204	1.8
171.58736	3.9
172.08760	2.4
172.60268	7.8
173.09601	3.1
173.13330	2.0
177.05452	8.1
181.08714	1.8
181.60789	9.8
182.10881	3.5
183.03307	2.1
190.61293	16.4
191.07108	3.6
191.10635	21.3
191.14320	6.1
199.61948	3.6
209.04367	3.3
209.08443	8.1
209.10104	2.4
209.11746	39.3
209.15331	6.6
210.08728	3.8
227.09547	15.7
228.09842	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	209.1179
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.26110	0.8
53.03936	1.5
55.01873	5.3
55.05516	12.2
57.03440	4.1
57.07075	1.7
59.04990	1.1
65.03910	1.3
67.05510	10.6
69.03423	3.8
69.07068	8.9
69.54865	1.6
69.55280	4.8
71.04998	12.7
79.05054	1.7
79.05496	24.3
79.05962	1.3
81.03418	1.3
81.07068	8.7
81.08632	0.9
83.01333	5.4
83.04996	10.6
83.08615	3.8
84.02697	0.7
85.06544	2.8
91.05479	14.0
93.03416	1.3
93.07050	24.1
95.04979	7.7
95.08605	4.3
97.06543	7.1
99.04480	4.8
99.08112	5.8
101.05999	1.1
103.05463	2.4
105.07040	17.0
107.04954	10.0
107.08601	30.9
109.06513	5.0
109.10149	5.6
111.04437	3.7
111.08098	4.6
113.06004	1.4
117.07028	4.5
119.08584	11.7
121.06522	18.3
121.10152	18.8
123.04427	2.8
123.08076	4.7
123.11738	2.9
125.05976	5.1
125.09630	4.7
125.35166	0.8
127.07556	0.9
129.07008	2.4
130.07858	1.1
131.04956	1.1
131.08580	43.8
133.10133	8.6
135.04419	1.6
135.08083	6.0
135.11719	5.7
137.05989	1.6
137.09625	2.5
139.07571	4.4
139.11179	3.7
145.06482	1.2
145.10130	22.2
145.11264	1.6
147.08044	3.8
147.11690	3.1
149.06064	4.5
149.09628	51.6
149.13304	4.4
151.11176	7.6
152.08118	1.0
153.05489	4.7
153.09096	4.0
155.07074	2.0
155.08366	1.1
158.10912	1.0
163.07545	2.9
163.11200	20.0
163.14827	2.8
165.09137	6.5
165.12735	2.7
167.03436	2.0
167.07086	2.1
167.10664	8.3
167.14355	3.7
170.85339	0.9
173.09621	3.5
173.13332	4.8
177.05453	2.7
181.15857	1.2
191.07132	1.6
191.10690	25.5
191.14297	10.6
204.79007	0.9
209.11607	100.0
209.15335	22.9
210.11938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03944	5.8
55.01877	12.2
55.05513	99.8
57.07070	4.4
59.05006	3.1
65.03940	3.6
67.05508	14.0
69.03448	10.4
69.07068	8.1
71.04990	6.0
71.30534	3.8
75.04478	2.5
78.04716	3.2
79.05522	9.3
81.07056	13.3
83.04984	81.1
83.08623	68.2
83.09125	3.2
85.02911	2.9
85.06560	4.6
88.18922	1.5
89.03905	3.8
91.05481	20.3
93.03423	5.7
93.07043	22.8
95.04975	24.2
95.08607	11.1
97.06550	10.2
97.10157	11.4
98.97628	1.7
99.04463	2.7
99.08096	2.7
103.05466	12.1
105.07042	9.7
106.04191	12.5
107.04943	5.6
107.08604	33.0
109.06504	11.5
109.10160	34.4
111.04466	2.1
111.08092	19.4
113.09669	3.0
117.03405	3.7
119.04963	4.3
119.08596	3.7
120.05724	2.4
121.02844	1.7
121.06501	26.9
121.10152	25.7
123.04370	3.1
123.08108	3.8
123.11730	14.4
125.06007	4.3
125.09648	17.3
131.04929	15.3
131.08594	5.3
133.10133	11.7
134.03651	5.0
135.04390	4.0
135.08037	3.0
135.11728	1.8
137.05977	3.0
137.09653	2.1
138.06789	2.1
139.07556	1.6
145.02826	3.8
147.04356	3.1
147.11729	2.4
148.05212	9.3
149.02359	7.0
149.04904	2.2
149.05995	35.2
149.09621	4.2
149.13275	13.7
151.11189	70.7
152.08217	2.5
153.05453	3.2
153.09100	9.5
159.04436	6.6
163.03868	2.4
163.07571	4.7
163.11269	1.8
163.14865	4.2
165.12817	2.2
166.06351	1.8
167.03452	3.7
167.07068	4.4
167.14322	100.0
173.13257	3.5
176.04720	2.3
177.04063	3.3
177.05487	48.9
181.08589	8.4
191.03389	2.9
191.07045	8.1
191.14331	9.8
194.05823	8.1
209.04451	4.3
209.08128	36.9
209.10030	2.8
209.12024	2.8
209.15355	46.8
219.37874	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03931	3.1
55.01873	2.5
55.05516	100.0
57.03421	3.9
57.07059	5.3
59.04992	4.7
64.72205	1.6
67.05506	12.0
67.05810	1.9
69.03426	9.4
69.07057	6.0
69.51292	5.0
69.51713	4.5
71.04967	3.7
79.05494	7.3
81.07063	25.5
82.13937	1.4
83.04987	98.0
83.08624	59.3
83.09074	1.1
85.06541	4.3
91.05480	8.6
93.07044	15.5
95.04977	29.1
95.08612	10.1
97.06528	11.5
97.10182	10.7
99.04436	4.2
99.08099	2.2
103.05452	1.9
105.07038	9.1
106.04205	2.4
107.08610	30.0
109.06530	31.3
109.10166	35.6
111.08092	15.1
113.09626	2.1
119.08571	2.4
121.06496	5.6
121.10158	13.8
123.08069	3.7
123.11717	14.4
125.09643	14.7
131.04948	1.7
131.08614	6.7
133.10147	26.6
135.08060	4.0
137.09618	2.8
145.02858	1.5
145.10158	3.0
146.27721	1.6
147.11667	1.6
149.02298	1.5
149.05974	4.8
149.09633	2.1
149.13278	12.5
151.11192	59.5
153.09114	11.5
158.10867	2.7
163.14853	3.4
167.14331	97.9
173.13246	12.1
177.05481	4.3
186.02808	1.5
191.14345	9.8
209.08095	2.0
209.15376	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	2.0
55.01854	3.8
55.05263	1.9
55.05516	26.8
57.03423	3.4
57.07054	4.1
59.04989	2.5
65.03930	3.3
67.05502	9.5
69.03433	14.7
69.07071	13.3
69.33580	11.7
71.04983	4.9
79.05497	8.8
81.03384	1.4
81.07055	14.0
83.00880	2.6
83.01341	26.3
83.04985	18.3
83.08622	9.0
83.53438	1.4
85.06548	8.4
91.05464	3.9
93.03397	1.3
93.07051	16.7
95.04961	4.2
95.08609	14.7
97.06532	19.7
97.10168	11.7
98.20862	5.0
98.21532	2.6
99.04443	2.7
99.08092	28.2
101.06007	7.3
105.07043	9.2
106.04149	1.4
107.04976	2.5
107.08599	35.4
109.06542	10.0
109.10165	14.3
111.08083	13.4
113.05978	3.8
119.08598	7.3
121.06493	6.7
121.10148	20.9
123.08079	7.5
123.11714	3.8
125.05994	2.7
125.09631	65.5
127.07548	1.9
129.06937	1.5
131.08569	7.2
133.10130	12.2
135.08078	16.2
135.11710	5.5
137.09615	9.6
139.07556	17.1
139.11177	12.4
145.10135	4.0
147.11703	2.7
149.05997	3.7
149.09627	50.9
149.13261	13.2
151.11186	35.1
153.09106	18.7
154.09879	3.0
158.10820	1.4
163.14847	11.9
165.12683	2.6
167.10696	3.8
173.13257	9.2
177.05421	3.0
181.15846	10.1
191.14316	33.6
209.08124	2.4
209.11943	3.0
209.15373	100.0
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	Unknow
Peak:m/z	Relative Intensity
52.94968	0.5
53.03944	1.6
55.05517	2.4
56.64454	0.5
57.07066	1.7
59.04989	0.9
65.03907	0.6
67.05506	4.2
69.03090	0.6
69.03436	9.6
69.07073	2.9
70.74491	0.7
70.74824	1.1
71.04997	1.4
73.28472	0.5
79.05480	2.0
81.03420	10.2
81.07059	7.0
83.04998	2.6
83.08599	0.9
91.05534	2.5
91.06015	0.6
93.03448	0.7
93.07056	3.6
95.04972	10.2
95.08607	9.2
97.06536	1.2
99.08085	1.4
103.05441	0.6
105.07021	4.7
106.04185	1.7
107.08600	8.1
109.06517	10.7
109.10149	1.7
110.07263	0.7
119.08593	3.8
121.06516	3.0
121.10153	11.5
123.08076	9.4
123.11716	7.4
131.08574	0.9
133.10121	1.2
135.08032	1.3
137.09627	3.3
137.13251	1.9
147.11728	3.7
149.06001	1.9
149.09627	9.7
149.13263	7.1
151.11189	5.4
153.09131	1.3
165.12756	100.0
172.14426	0.7
173.13275	0.9
177.05467	2.4
178.90234	0.6
191.06985	0.6
191.14299	2.4
200.98299	0.5
209.15376	53.2
210.15727	0.7
219.80203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	3.1
55.05512	4.5
59.05008	2.6
67.05497	9.8
69.03436	12.7
69.07069	10.5
71.05006	6.7
79.05503	7.5
79.05889	1.5
81.07059	18.2
83.04995	12.8
83.08616	5.1
83.40242	1.4
86.32272	1.5
89.63692	1.3
91.05478	6.6
91.73878	1.4
93.07059	11.8
95.04974	4.1
95.08617	24.8
97.06531	4.2
99.08089	4.4
105.07049	13.4
107.04932	2.8
107.08598	40.2
109.06522	15.0
109.10165	16.7
111.08093	3.0
113.09681	1.8
115.05495	1.7
117.07037	3.1
119.08579	6.3
121.06511	5.7
121.10149	36.6
123.08073	6.0
123.11702	3.8
125.09628	12.6
131.08578	6.0
133.10139	41.6
135.08052	20.0
135.11705	5.1
137.09625	25.0
139.11168	3.5
145.10194	3.0
147.11696	7.2
149.09639	11.1
149.13261	26.7
151.11192	100.0
153.09061	2.0
153.66977	1.4
158.10947	2.9
163.14857	9.9
165.12756	9.9
173.13246	17.5
191.14320	43.1
209.15387	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	209.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
55.05509	9.7
57.03432	6.2
57.07072	3.4
67.05509	8.2
69.03441	3.9
69.06773	1.9
69.07077	21.7
69.74955	7.7
70.22002	1.5
71.04997	34.8
77.27988	1.5
79.05495	8.6
81.07062	20.5
83.04987	9.0
83.08614	5.2
85.06543	4.7
91.05482	9.5
93.07056	24.5
95.04980	14.9
95.08612	31.9
97.06529	14.9
98.20802	2.3
99.04444	6.6
99.08089	3.8
105.07030	16.8
107.07861	2.9
107.08599	60.3
109.06528	16.4
109.10164	20.2
111.08084	15.1
113.09660	7.2
115.07595	2.9
117.07005	2.6
119.08582	11.5
121.06549	7.7
121.10154	49.3
123.08080	17.8
123.11714	13.6
125.06007	2.0
125.09641	3.0
131.08571	16.9
133.10141	45.9
135.08064	66.1
135.11711	28.2
137.09621	4.5
138.10393	7.2
139.07573	2.6
139.11194	13.1
145.02844	1.7
145.10141	9.2
147.11691	17.8
149.05904	2.1
149.09625	40.0
149.13289	25.1
151.11195	27.0
153.09138	2.9
158.10902	5.5
161.09602	4.2
163.11221	4.2
163.14842	25.9
165.12762	20.4
167.03461	1.9
167.14310	1.9
173.13293	40.3
176.11938	3.0
177.05467	2.6
181.08604	1.7
191.06993	2.1
191.14319	100.0
200.19942	1.8
209.04404	2.1
209.10007	4.7
209.15381	40.8
209.17310	2.4
218.56494	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.70869	0.5
53.03952	0.5
55.05507	1.2
57.03438	0.6
57.07072	1.2
59.05014	0.6
67.05505	2.3
69.03430	9.2
69.07082	3.2
71.05012	0.9
71.11333	0.8
79.05486	1.6
81.03416	9.0
81.07061	6.1
83.04951	2.5
83.08621	1.1
88.00186	0.5
91.05470	1.3
93.07033	2.7
95.04973	6.0
95.08612	8.0
98.21239	0.6
99.08100	1.3
102.17339	0.5
104.02859	0.5
105.07038	3.5
107.08604	7.9
109.06520	8.2
109.10161	2.0
111.08017	0.5
119.08578	4.2
121.06490	1.1
121.10152	11.2
123.08085	10.5
123.11722	6.5
131.08568	0.6
133.10132	0.9
135.08099	1.2
135.11664	0.6
137.09615	3.0
137.13275	2.4
147.11679	2.8
149.09621	9.9
149.13268	6.3
151.11189	5.0
165.12759	100.0
170.11792	0.6
173.13257	1.7
191.14310	2.1
209.15367	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05522	7.0
57.73161	1.4
67.05484	5.9
69.03432	8.9
69.07069	11.1
69.78526	6.1
71.04978	4.0
79.05468	5.3
81.07068	11.9
83.04984	12.1
83.08596	4.0
86.08424	1.4
86.64984	1.2
87.69772	1.2
91.05477	5.0
93.07058	10.0
95.04961	3.1
95.08052	2.1
95.08610	25.6
97.06512	5.4
98.20889	1.7
99.08076	3.1
105.07021	6.8
107.08604	30.8
109.06502	8.4
109.09553	1.6
109.10171	15.1
111.08058	3.3
119.08595	4.0
121.06519	2.7
121.09319	2.1
121.10142	32.3
123.08054	5.0
123.11716	3.2
125.09631	12.9
128.11235	1.3
131.08557	5.3
133.10146	12.2
135.08055	15.9
135.11682	5.7
136.81242	1.3
137.09596	3.7
139.11172	7.3
140.27791	1.1
145.10161	1.5
147.11667	7.6
149.09642	13.1
149.13246	20.1
151.11189	100.0
153.09096	1.8
158.10889	3.6
163.14828	10.6
165.12770	8.9
170.94133	1.4
173.13255	14.1
191.14310	49.5
209.15372	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.23167	1.2
55.05506	3.1
67.05498	3.2
69.03418	2.5
69.07051	1.8
71.29552	2.8
79.05499	5.4
81.07069	12.1
91.05495	9.6
93.07061	5.0
95.04967	3.3
95.08627	2.2
105.07047	8.3
107.08608	23.5
109.06535	11.1
109.10152	8.0
115.05437	3.3
117.07056	3.0
119.08581	2.8
121.10163	13.1
122.07301	7.4
131.08559	2.1
133.10149	99.9
135.08075	17.7
135.11635	1.8
137.09631	100.0
145.10150	2.5
147.11671	2.1
149.09627	2.3
149.13280	13.0
151.11186	1.9
158.10930	2.3
163.11215	2.0
163.14833	3.2
173.13274	6.0
191.14331	4.8
210.14409	1.4
220.36089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03922	1.8
55.05501	3.3
57.07071	1.9
59.05006	1.8
65.03961	0.9
67.05523	4.6
69.03429	11.2
69.07071	4.8
69.28872	4.6
69.29299	3.1
71.04975	1.9
76.80693	0.8
79.05489	2.8
81.03427	8.3
81.07074	6.9
83.04984	3.1
83.08611	1.3
91.05463	2.7
93.07046	3.8
95.04972	8.6
95.08605	9.3
97.06518	1.1
99.08100	2.2
105.07053	5.7
107.08605	10.7
109.06518	11.7
109.10152	3.0
110.07352	0.8
119.08560	5.1
121.06509	0.8
121.10147	13.6
123.08083	11.1
123.11722	8.7
131.08504	1.6
133.10107	1.9
135.08052	1.3
135.11690	2.4
136.68643	0.8
137.09608	3.2
137.13255	2.6
138.93864	0.8
147.11682	3.8
149.09637	11.2
149.13278	8.1
151.11192	5.2
154.04523	0.9
156.42618	0.9
156.43747	0.9
163.14867	1.1
165.12767	100.0
173.13266	2.1
191.14349	6.1
209.15382	63.9
210.15593	0.8
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
55.05513	6.6
57.03417	1.1
57.07064	1.7
57.27441	1.1
59.04993	1.9
67.05524	5.6
69.03433	12.5
69.07072	11.6
70.89111	2.7
71.04998	7.9
79.05499	7.2
81.07059	13.7
83.04988	13.4
83.08607	5.0
91.05480	6.6
93.07057	10.9
95.04960	3.6
95.08048	1.9
95.08616	24.6
96.92471	1.1
97.06532	5.8
99.08094	3.3
101.62701	1.1
105.07036	11.6
107.08606	44.9
109.06527	21.0
109.10184	15.7
111.08080	3.4
117.07062	2.0
119.08593	5.8
121.06509	5.6
121.09317	2.2
121.10157	38.3
122.07309	1.4
123.08086	7.0
123.11719	3.9
125.09624	10.1
131.08591	6.4
133.10139	36.7
133.92358	1.2
135.08078	17.0
135.11696	5.0
137.09628	23.5
139.11166	5.6
143.08621	1.3
145.10173	4.5
147.11662	6.8
149.09636	10.1
149.12195	1.6
149.13289	24.1
151.11194	100.0
153.09099	2.1
158.10936	3.2
158.29848	1.2
163.14842	10.9
165.12749	9.1
173.13278	15.4
180.13780	1.1
184.89923	1.2
191.14323	41.6
209.09978	1.1
209.15384	10.8
214.51210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.97919	2.6
55.01856	4.2
55.05530	13.1
55.25710	2.5
57.03427	5.4
59.05006	4.3
67.05500	10.1
69.03426	5.7
69.07082	23.0
70.81243	5.7
70.97202	2.3
71.04998	48.2
77.03942	2.4
79.05492	9.4
81.07062	25.3
83.04969	13.2
83.08643	6.2
83.21303	2.7
85.06554	4.1
91.05484	12.9
91.21680	2.7
91.27186	2.9
93.07056	37.4
95.04973	18.7
95.08618	44.3
97.06555	18.1
99.04466	5.6
99.08075	5.6
105.07030	23.9
107.04895	2.6
107.08604	72.2
109.06545	18.6
109.10156	29.2
110.07352	2.8
111.08089	22.9
113.09638	9.5
119.08592	21.2
119.46828	2.6
121.06541	14.3
121.10154	49.4
123.08102	31.9
123.11758	12.1
125.06007	5.3
125.09651	4.2
131.08574	18.3
133.10146	56.9
135.08063	50.7
135.11691	34.0
137.09612	7.1
138.10406	11.3
139.11203	18.6
139.52309	2.5
145.10107	9.5
147.11693	29.4
149.06006	3.5
149.08549	4.9
149.09645	57.5
149.13271	25.0
151.11205	31.6
158.10944	6.5
163.11214	5.0
163.14822	24.2
165.12802	14.6
173.03920	2.4
173.13290	49.2
176.11972	4.0
177.05473	6.8
191.14334	100.0
207.56221	2.6
209.10049	6.8
209.15411	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	3.8
55.01875	10.7
55.05500	8.3
55.45720	1.6
56.96549	3.1
57.07068	2.3
59.05000	3.0
60.69087	1.8
65.03967	2.3
67.05508	13.1
69.03440	19.8
69.07069	20.2
71.05003	14.1
77.03945	1.7
79.05495	16.9
81.03413	5.3
81.07063	27.6
83.04985	15.9
83.08618	5.9
85.02843	2.2
85.06505	2.9
89.03883	2.5
91.05479	19.5
93.03412	2.3
93.07053	26.8
95.04979	32.0
95.08619	29.0
97.06540	9.0
99.04456	1.7
99.08087	5.1
100.11264	2.3
103.05457	5.3
105.07033	24.2
105.78222	1.8
106.04155	4.6
107.04970	7.1
107.08601	58.0
109.06531	38.4
109.10169	25.5
111.08112	9.2
113.06007	2.0
113.09660	2.2
117.07016	5.6
119.04836	1.9
119.08593	10.2
121.06523	16.5
121.10145	45.6
122.07228	1.9
123.08060	17.0
123.11712	10.2
125.06038	2.6
125.09684	12.5
131.04951	2.6
131.08566	16.4
133.10143	39.0
135.08057	35.1
135.11707	12.2
137.09619	18.0
137.63866	1.8
139.07578	4.0
139.11180	4.5
145.02812	5.2
145.10132	10.5
147.11711	16.8
148.05138	1.9
149.02373	3.5
149.06017	8.5
149.09631	26.9
149.13278	25.5
149.86189	1.9
151.11192	100.0
153.05458	3.8
153.09096	6.0
158.10974	2.9
163.11156	12.0
163.14850	12.2
164.07094	3.1
165.07433	9.7
165.12770	75.8
167.03421	2.5
167.14351	2.7
173.13310	19.5
177.05496	9.6
181.08524	2.2
191.07051	5.4
191.10712	6.3
191.14310	71.7
197.94563	1.8
209.04471	4.1
209.08102	10.2
209.10069	21.2
209.11810	5.7
209.15390	60.3
209.17381	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	209.1537
Annotation	Apo-9-zeaxanthinone
Peak:m/z	Relative Intensity
51.02373	1.2
53.03933	3.1
54.00285	1.2
55.01879	7.4
55.05510	9.0
57.03430	3.0
57.07060	3.6
59.04994	1.7
65.03931	1.9
67.05505	18.8
69.03430	16.8
69.07070	11.2
70.99837	3.4
71.04996	6.5
72.08145	1.2
77.03928	1.7
79.05495	21.0
80.05843	1.2
81.03446	5.4
81.03873	1.1
81.07059	25.6
83.04985	9.8
83.08600	2.3
85.06532	1.8
91.05485	19.8
93.03403	2.7
93.06480	2.0
93.07050	40.0
94.06551	1.8
95.04973	33.4
95.08604	17.5
96.30727	1.1
97.02917	1.4
97.06522	8.4
99.04482	2.9
99.08076	1.5
99.54199	1.1
103.05444	4.3
105.07034	31.1
107.04965	10.9
107.07862	1.9
107.08601	50.0
109.06527	56.7
109.09573	1.3
109.10168	16.2
111.04429	1.7
111.08081	3.4
113.09644	1.4
115.05440	2.8
117.07026	7.8
119.04961	1.4
119.06033	1.2
119.08585	16.1
121.02872	2.9
121.06519	20.1
121.09327	2.5
121.10152	32.9
122.07291	3.8
123.04411	1.4
123.08090	10.7
123.11732	8.5
124.37010	1.1
125.05985	4.2
125.09644	5.5
129.06952	1.4
130.07765	4.9
131.08577	15.0
133.06476	3.3
133.10136	49.5
134.03583	1.3
135.04414	2.4
135.08051	27.5
135.11693	14.4
137.05954	1.9
137.09622	34.8
137.13223	1.7
139.03871	1.8
143.08533	3.1
145.02759	1.5
145.10127	44.5
147.08101	1.6
147.11687	12.5
149.02293	3.7
149.06020	8.6
149.09631	23.2
149.13271	16.8
151.07516	1.5
151.11200	11.5
153.05374	1.6
153.09102	3.1
155.08638	1.4
158.07225	1.4
158.10899	2.1
159.04500	1.2
161.09738	1.2
163.03941	1.4
163.11185	100.0
163.14830	3.8
164.07076	1.2
165.07368	1.3
165.12759	48.9
167.03391	8.5
173.09651	12.8
173.13246	12.3
177.05441	5.2
181.12318	1.9
191.07033	1.8
191.10669	32.1
191.14322	22.0
209.04337	2.1
209.08052	2.8
209.10095	4.7
209.11803	34.6
209.15356	37.6
225.45729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1491
Annotation	3-Tigloyloxynortropane
Peak:m/z	Relative Intensity
55.01889	0.4
55.05513	5.2
58.06606	26.2
60.04525	0.7
60.29540	0.4
64.18249	0.4
67.05502	2.0
69.03419	0.7
69.07082	3.1
70.99848	0.8
71.05009	0.5
72.08156	0.6
79.05492	0.7
79.17525	0.4
81.07063	1.8
83.04987	100.0
84.05340	0.8
85.06538	0.4
91.05495	1.6
93.07051	0.9
95.04954	2.6
95.08603	0.8
97.06537	3.4
100.07629	8.5
105.07011	1.3
106.07373	0.3
107.08591	1.3
108.08958	0.7
109.06520	5.8
109.10152	1.0
110.06837	0.5
110.10496	0.4
111.08073	1.0
118.06551	1.5
122.06870	0.7
122.10471	0.6
123.11716	1.4
125.02378	0.9
125.09652	0.6
126.09985	0.6
132.08905	0.4
133.10133	1.5
134.10458	1.1
142.08646	5.4
146.06021	4.1
149.09621	0.5
150.09987	2.1
151.03871	0.8
151.09953	0.6
151.11189	9.8
152.11577	0.9
154.09474	0.3
169.12227	0.7
174.13551	0.5
178.06085	0.4
178.07257	0.6
178.08661	9.6
185.01007	0.4
192.14598	1.1
210.11397	4.9
210.14876	19.4
211.67548	0.4
226.30496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82486	2.7
54.93489	2.9
55.05067	2.8
60.44346	3.0
69.24421	17.1
69.24847	11.7
70.70004	2.7
112.89616	100.0
113.17514	2.7
133.51311	3.9
136.94051	3.1
150.92003	3.4
177.97546	3.2
210.89388	11.2
210.94092	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	211.0602
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
51.02379	0.2
52.55529	0.1
53.03954	2.1
55.01863	0.4
57.03442	0.2
60.60207	0.2
63.01853	0.2
63.33352	0.1
65.03954	0.9
66.45229	0.2
67.05509	4.6
69.03436	2.8
69.07087	0.2
70.85639	0.4
71.01350	0.3
71.04998	1.0
71.39870	0.2
74.05920	0.1
74.53943	0.2
77.03932	0.9
79.05498	0.8
81.03424	1.4
81.07076	1.2
83.05011	0.2
85.06554	0.2
91.05486	1.4
93.03427	0.2
93.07040	0.3
95.01339	1.3
95.04976	32.9
97.02901	7.0
97.06541	0.7
105.03384	0.3
105.04534	0.9
107.01339	0.7
107.04956	0.4
109.02889	0.9
109.06533	2.7
111.04482	0.2
113.06016	1.3
119.04962	0.8
121.02856	0.7
121.06475	0.2
123.00813	3.6
123.04443	11.6
125.02364	100.0
126.02699	0.4
137.05986	3.9
139.03903	0.3
139.07364	0.2
141.01826	1.5
141.05475	1.9
147.04410	0.9
147.76109	0.1
149.02345	0.3
151.03914	12.3
154.38037	0.1
155.07132	0.3
165.05481	2.5
167.03413	4.7
167.07047	0.2
169.04993	2.3
175.03909	0.5
183.06540	0.4
193.04987	0.6
211.06026	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	211.0602
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
53.03951	3.6
55.01872	0.9
57.03438	0.9
65.03939	1.3
66.51332	0.4
67.05509	8.6
69.03428	1.8
69.73679	1.9
71.04990	0.5
77.03938	1.4
77.46840	0.4
79.05499	1.9
81.03412	1.2
81.07049	0.8
85.02898	1.6
91.05484	9.7
93.07043	1.7
94.04179	0.4
94.29240	0.4
95.01334	1.5
95.04973	64.1
96.05280	0.4
97.02906	1.3
98.95795	0.4
103.05486	0.9
105.03389	1.7
105.04517	1.9
105.07065	0.9
107.04967	3.1
109.02876	1.0
109.06531	3.3
113.02386	1.0
113.06001	2.9
118.04173	0.6
119.04943	11.3
121.02854	0.7
121.06509	2.9
123.00806	3.5
123.04432	20.4
123.08053	0.5
125.02358	74.8
126.02693	0.7
131.04932	0.6
133.06427	0.6
134.03699	0.5
137.05969	2.2
141.01776	0.8
141.05490	1.2
144.63213	0.4
147.04424	5.5
149.05992	2.5
151.03909	100.0
151.07445	3.0
152.04260	0.8
165.05464	1.8
167.03433	2.1
167.07022	3.2
169.04967	6.1
175.03879	3.3
177.75652	0.4
179.07018	1.0
179.14774	0.4
181.08571	0.7
183.06448	0.4
193.04982	3.2
211.06018	4.7
211.09645	1.8
213.19597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0602
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
52.03147	0.2
53.03951	2.1
55.01873	0.4
57.03436	0.2
65.03952	0.9
67.05505	5.0
69.03438	3.5
69.07052	0.2
69.88343	0.9
70.63247	0.1
71.01335	0.3
71.04997	1.2
77.03922	0.8
79.05494	1.2
81.03423	1.4
81.07056	1.7
83.01368	0.2
83.04974	0.3
85.02893	1.0
85.06561	0.3
91.05482	2.6
93.03425	0.3
93.07039	1.8
94.04186	0.3
95.01336	1.5
95.04974	34.4
96.05269	0.2
97.02900	6.7
97.06513	0.5
99.04451	0.3
105.03399	0.3
105.04525	1.3
107.01325	0.8
107.04926	0.5
109.02900	1.2
109.06511	3.6
111.04519	0.2
113.02374	1.2
113.06020	1.1
118.68536	0.2
119.04921	1.1
121.02888	0.6
121.06530	1.3
123.00808	3.7
123.04438	12.3
125.02359	100.0
126.02699	0.4
137.05983	4.3
139.03917	0.3
141.01837	1.9
141.05473	2.4
147.04401	0.7
149.02307	0.5
149.05945	0.3
151.03911	14.6
158.05270	0.2
165.05473	2.7
167.03410	4.7
167.07042	0.9
169.04974	2.4
183.06532	0.6
193.05029	1.0
195.97684	0.2
211.06007	4.0
211.07970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0602
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
50.39801	0.3
51.02369	0.3
51.85788	0.2
52.03172	0.2
53.00317	0.3
53.03954	2.2
55.01870	1.0
55.05511	0.5
55.52465	0.2
56.96577	0.4
57.03437	0.6
59.05030	0.3
65.03947	0.8
67.05508	5.5
67.27714	0.2
69.03429	2.2
69.07085	0.3
69.19592	2.1
69.20006	0.5
71.04994	1.6
77.03935	0.5
78.04730	0.4
79.05495	2.7
81.03412	1.6
81.07053	1.8
83.05012	0.4
83.08633	0.2
85.02921	0.3
85.06548	0.8
91.05482	3.2
93.03386	0.5
93.07053	1.5
95.01336	0.9
95.04973	35.7
95.08609	0.7
97.02899	2.7
97.06531	1.3
98.20767	0.3
103.05478	0.8
105.03401	0.4
105.04507	1.3
105.07031	3.7
107.01288	0.3
107.04934	1.1
107.08611	0.6
109.02892	2.2
109.06524	2.4
109.10191	0.4
111.04457	0.3
113.06023	2.9
114.81326	0.3
117.07019	0.3
119.04931	1.2
119.08539	0.4
121.02848	0.7
121.06503	2.5
123.00799	2.7
123.04438	11.3
123.08071	0.8
125.02359	100.0
125.09606	0.5
126.02663	0.3
133.02856	0.4
133.06497	3.7
133.10147	0.3
137.06004	3.6
139.03848	0.3
141.01825	0.7
141.05486	1.8
142.06174	0.3
147.04382	0.9
147.11610	0.3
149.02293	0.6
149.05989	1.9
151.03914	22.1
151.07526	2.5
161.05966	1.1
165.05498	2.1
165.09152	0.3
167.03407	3.7
167.05641	0.5
167.07048	7.6
169.03741	0.4
169.05003	4.0
175.03954	0.4
179.03398	0.8
179.07054	1.4
179.22073	0.3
181.08560	0.7
183.06516	0.7
193.05014	1.7
193.08667	0.8
197.08073	0.4
209.08273	0.3
211.05992	5.1
211.07736	0.4
211.09479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0602
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
51.02375	0.3
53.03947	2.2
55.01878	0.4
65.03944	0.7
67.05164	0.5
67.05507	5.4
69.03436	0.4
69.38162	2.1
69.89654	0.3
71.01354	0.5
71.04971	0.3
77.03929	1.2
79.05488	1.0
81.03426	0.5
81.07044	0.5
91.05486	5.4
93.07050	0.6
95.01339	0.9
95.04974	57.9
97.02889	0.5
103.05490	0.5
105.03362	1.4
105.04499	1.2
107.04967	0.8
109.02905	0.3
109.06517	0.6
119.04944	5.0
121.02896	0.3
121.06496	0.7
123.00793	1.6
123.04438	17.7
125.02360	9.5
133.02834	0.5
133.06522	0.3
137.05984	0.9
141.01846	0.3
141.16583	0.2
141.26730	0.2
147.04424	5.3
149.02344	0.3
149.05951	0.4
151.03909	100.0
152.04266	0.8
165.05505	1.0
167.03439	0.4
167.06998	0.7
169.04953	2.3
175.03923	3.4
193.04985	2.1
193.06529	0.4
211.06001	0.8
217.88847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0603
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
51.02390	0.8
52.16825	0.5
53.03947	3.4
55.01874	2.6
55.05504	0.7
55.28094	0.5
56.96576	0.9
57.03427	0.5
60.95984	0.5
64.22392	0.5
65.03957	1.8
67.05508	9.0
69.03433	1.7
69.59563	3.2
71.05019	0.6
77.03943	1.4
79.05508	4.4
81.03423	1.1
81.07054	1.8
83.05013	0.8
85.02911	0.8
89.78735	0.5
91.05489	18.7
93.07050	2.2
95.01339	1.3
95.04977	73.7
95.08627	1.7
97.02897	1.7
97.06541	0.7
103.05486	2.9
105.03402	3.9
105.04517	2.3
105.07040	3.8
107.04963	7.4
108.05773	0.8
109.02921	1.0
109.06532	5.7
113.06017	5.0
118.04169	0.7
119.04951	23.4
121.02883	0.6
121.06519	6.2
123.00786	3.8
123.04437	20.9
123.08085	4.2
125.02364	99.4
131.04971	0.8
133.02898	1.1
133.06493	3.5
134.03642	2.3
137.05946	2.8
141.01852	0.8
141.05487	1.0
147.04431	8.8
149.05992	9.1
151.03917	100.0
151.07530	12.6
152.04401	0.5
161.05969	2.4
165.05501	2.0
166.06367	0.5
167.03441	2.7
167.07053	9.6
168.07416	1.6
169.04988	8.6
175.03912	2.6
179.07068	3.2
181.08560	2.9
183.09767	0.8
193.05009	3.2
193.08667	0.6
211.06033	7.0
211.09598	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	211.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
53.03942	3.4
55.01871	4.8
55.05502	1.3
55.73407	0.3
56.96565	1.2
57.03443	1.8
59.04987	0.3
65.03941	1.8
66.36948	0.3
67.05170	0.7
67.05505	9.9
68.12392	0.3
69.03438	4.8
69.07069	0.7
71.01333	0.5
71.04996	2.6
71.57774	0.5
72.53320	0.3
77.03928	0.8
78.04715	0.5
79.05493	5.7
81.03418	2.5
81.07060	5.8
83.05000	1.9
85.02904	0.9
85.06534	0.9
87.04419	0.4
91.05484	11.8
93.03403	0.3
93.07047	5.1
95.01303	1.0
95.04971	62.1
95.08613	5.4
97.02892	4.0
97.06525	1.8
99.04436	0.5
99.08090	0.6
100.38990	0.4
103.05487	2.1
105.03387	1.7
105.04472	1.8
105.07030	9.8
106.04169	0.6
107.01351	0.4
107.04965	4.1
107.08601	1.7
108.05765	0.5
109.02864	1.3
109.06519	7.7
109.10143	1.7
111.04458	0.8
111.08072	0.6
113.02389	0.4
113.06010	3.2
115.05505	0.5
118.04198	0.5
119.04943	8.2
119.08609	1.2
121.02856	1.2
121.06515	6.7
121.10134	0.8
123.00777	3.4
123.04435	19.9
123.08052	5.4
123.11723	0.5
124.05270	0.4
125.02354	100.0
125.05979	1.2
125.09621	5.8
131.04956	0.4
133.02890	0.9
133.06496	9.1
133.10165	1.3
134.03667	1.0
135.04443	0.9
135.08076	1.3
135.11729	0.4
137.05978	10.1
137.09593	2.4
139.03900	0.6
139.07562	1.6
141.01826	1.3
141.05489	2.0
142.06143	1.0
147.04431	3.1
147.11726	0.5
149.02272	0.9
149.05977	7.2
151.03906	52.9
151.07533	12.8
151.11232	0.5
152.04436	0.4
153.05504	1.1
153.09181	0.6
157.10094	0.4
161.05995	3.5
165.05554	2.3
165.06714	0.5
165.09099	1.5
165.12776	0.6
166.06302	0.6
167.03380	2.9
167.07047	17.9
168.05740	2.7
168.07784	0.5
169.04985	5.1
169.08583	4.1
175.03917	1.5
175.11256	0.5
179.07141	3.4
181.08614	3.1
181.56126	0.4
183.06490	0.9
184.05229	0.4
193.05003	2.3
193.08661	2.8
193.12157	0.9
196.05199	4.0
197.08124	1.3
211.05974	4.9
211.07568	7.4
211.09671	5.2
211.11472	0.7
211.13237	1.1
211.16975	0.7
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	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02397	0.2
53.03945	0.6
55.01875	0.5
55.05510	0.6
56.96569	6.0
57.03458	0.6
57.64939	0.2
59.04997	0.3
65.03959	0.5
67.05507	1.4
69.03432	0.7
69.07078	0.6
69.86468	0.8
69.86877	0.4
71.05000	0.6
78.04731	0.3
79.05506	1.4
81.03423	1.3
81.07055	1.9
83.04987	0.9
83.08640	0.5
84.96043	1.3
91.05486	4.0
91.06016	0.4
93.07049	0.8
94.04195	0.9
95.04977	5.2
95.08611	0.8
97.02884	0.7
97.99186	2.4
99.08099	0.2
103.05455	0.4
105.03407	0.3
105.04498	0.4
105.07037	3.0
106.04196	0.2
107.04971	0.7
107.08622	0.3
109.06531	3.5
109.10168	0.9
111.22472	0.2
113.06036	0.4
115.05462	0.6
116.00216	0.6
118.53895	0.2
119.04950	4.5
119.08588	0.4
121.06494	1.3
122.03645	3.7
123.00836	0.6
123.04440	1.9
123.08077	0.5
125.02361	15.0
133.06497	2.1
133.10068	0.3
135.04437	0.4
135.11685	0.6
137.05983	100.0
138.06348	0.4
139.03893	0.5
141.05429	0.2
142.06158	0.7
147.04411	7.4
147.11685	0.3
149.05980	0.6
151.03899	2.1
151.07562	4.9
151.11131	0.3
151.14897	0.3
153.05496	2.5
154.06270	1.3
157.01750	0.3
157.10277	0.3
161.05975	0.8
163.03912	1.1
165.05508	0.6
167.03386	0.6
167.07071	2.2
168.07874	0.3
169.04962	0.6
175.14833	0.5
178.06271	0.9
179.07060	7.2
181.08571	0.3
181.34747	0.3
193.08572	0.7
193.12245	0.3
193.15877	0.3
196.07291	0.4
197.74319	0.2
211.06003	1.0
211.09650	10.8
211.14760	0.6
211.32195	0.2
228.25089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01882	1.0
55.05513	1.0
56.75952	0.3
56.96574	0.4
65.03942	0.9
67.05507	7.0
68.54165	0.4
69.03421	0.5
69.07089	0.4
69.55056	2.2
71.01361	0.7
71.04998	0.6
77.03943	1.6
79.05498	3.2
81.03419	0.8
81.07067	1.7
83.04963	0.4
91.05487	6.9
93.07059	1.7
95.01367	0.9
95.04975	59.1
95.08620	1.3
96.05328	0.5
97.02876	0.5
97.06574	0.4
98.21119	1.2
103.05452	0.8
105.03395	1.2
105.04530	1.2
105.07032	2.7
107.04957	1.1
107.08640	0.5
109.06550	1.1
109.10161	0.6
116.45216	0.4
119.04953	6.3
119.08600	0.5
121.02837	0.4
121.06515	1.9
123.00812	1.6
123.04437	18.1
123.08061	0.9
125.02375	1.5
125.09638	0.8
131.08556	0.6
133.02892	0.7
133.06509	2.5
135.11732	0.4
137.05963	1.0
141.01840	0.5
147.04430	6.0
149.06015	0.7
151.03912	100.0
152.04260	0.8
154.33269	0.4
155.08597	0.6
165.05524	1.1
165.33105	0.3
167.06949	0.4
169.04991	1.7
175.03920	3.2
183.08147	0.7
193.04976	2.5
193.08572	0.5
211.07721	1.6
211.13069	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.9
53.03943	2.8
55.01867	3.1
55.05515	6.7
56.24646	0.8
56.96568	8.7
57.03428	1.8
57.07072	2.4
58.85712	0.7
61.02906	1.2
65.03931	1.3
67.05510	13.6
68.05832	0.8
69.03427	7.5
69.07066	8.3
71.05003	8.6
71.31902	1.4
73.02886	1.1
79.05484	9.3
80.99219	0.8
81.03410	3.5
81.07065	14.7
81.47392	0.8
82.94341	0.9
83.04989	5.3
83.08633	4.3
84.96033	3.0
85.02884	2.1
85.06532	3.1
87.04462	0.9
91.05479	15.0
93.07051	11.8
95.01351	2.0
95.04977	33.2
95.08622	8.1
97.02891	2.2
97.06541	4.6
97.10205	1.2
97.99182	2.0
98.67554	0.8
98.97578	3.5
99.04457	2.8
99.08084	5.1
103.05466	1.5
105.03433	1.1
105.07034	11.6
107.04953	1.9
107.08600	8.3
108.08902	1.0
109.02895	1.5
109.06543	6.2
109.10170	7.9
111.04441	2.3
111.08094	2.5
113.06014	2.6
113.09644	0.9
116.00171	1.6
116.98639	1.5
119.04949	4.2
119.08598	7.8
121.02864	1.3
121.06530	8.4
121.10139	2.3
121.98692	0.9
123.04449	11.5
123.08057	3.3
123.11730	1.7
125.02365	26.3
125.05899	0.9
125.09641	4.5
127.07552	1.2
128.06224	1.5
129.05481	2.7
129.06992	2.0
131.08572	3.0
133.02791	0.9
133.06500	3.7
133.10136	22.1
135.08018	1.3
135.11720	4.6
137.06007	4.6
137.09627	2.2
140.10683	1.4
142.06157	1.7
147.04405	3.5
147.08090	1.3
147.11716	6.7
149.06013	1.8
149.09628	1.5
149.13182	1.0
151.03920	44.8
151.07594	4.1
151.10173	1.3
151.11212	12.6
152.11497	2.4
153.06987	1.1
155.07031	3.5
155.08456	2.0
157.10123	1.6
158.99649	1.8
162.23407	0.9
163.14839	1.5
165.01978	1.2
165.05531	2.6
165.06969	1.7
165.12750	2.8
167.03322	1.1
167.07030	4.5
169.05080	1.6
169.08673	0.9
169.12202	1.4
173.01151	1.0
175.03996	1.3
175.11174	2.9
175.14818	3.1
177.00626	1.3
179.04608	1.4
181.08595	1.1
183.06586	1.0
183.08157	2.6
193.04977	2.6
193.08607	2.1
193.10489	1.2
193.12216	8.5
193.15979	1.6
211.02791	0.9
211.05931	2.8
211.07643	5.6
211.13086	100.0
212.13409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.7
55.05509	22.9
56.96560	8.2
57.03437	6.1
57.07076	3.8
61.01015	2.3
67.05511	35.0
69.03433	3.1
69.07073	21.5
71.05007	10.7
71.05310	2.0
71.08651	2.8
71.48272	4.4
78.97972	2.1
79.05492	12.5
81.07059	46.6
83.04986	12.3
83.08617	16.5
85.06553	6.0
91.05494	13.0
93.07053	23.9
95.04985	17.5
95.08615	59.3
97.06542	10.7
97.10160	6.0
97.99194	2.4
99.04465	3.7
99.08095	5.2
101.45648	1.8
105.07047	19.4
106.37464	2.0
107.07964	3.1
107.08601	35.3
108.84332	2.0
109.06519	15.1
109.10163	100.0
111.08092	49.8
113.06024	5.1
119.08587	58.5
121.06490	3.3
121.10144	30.4
123.04418	2.6
123.08079	44.6
123.11720	23.5
125.02364	43.7
125.09613	6.8
127.11244	3.1
133.10135	54.9
135.11702	57.4
137.06013	3.0
137.09624	99.4
137.13248	7.8
138.10374	7.7
139.11156	3.9
147.11708	20.7
149.13264	17.6
151.03918	3.9
151.11171	10.1
151.14828	10.3
157.10152	5.7
163.11177	4.6
165.12793	16.5
165.16399	3.1
169.04924	4.0
175.11240	5.3
175.14839	72.0
178.13567	2.3
193.15903	43.2
211.06053	2.4
211.07962	2.6
211.11272	3.2
211.13094	3.7
211.14951	1.6
211.16934	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01877	1.0
55.05516	10.3
57.07077	4.4
58.12252	0.8
58.21309	0.8
59.04993	2.0
67.05511	25.1
69.03107	1.0
69.03432	8.1
69.06732	1.2
69.07074	16.4
69.72886	4.0
71.05000	5.1
71.08615	1.2
79.05484	6.0
81.07065	25.6
83.04984	14.0
83.08624	9.0
85.06561	3.8
87.08086	0.9
91.05490	4.7
93.07047	10.6
95.04961	3.7
95.08614	37.6
97.06523	2.0
97.10158	3.1
97.10711	0.8
98.21471	1.6
99.08097	4.3
105.07021	7.2
107.08603	21.7
109.06530	11.3
109.10162	100.0
110.10514	0.8
111.08083	2.7
113.09641	2.5
115.99531	1.0
119.08591	22.6
121.10148	9.8
123.08077	15.3
123.11726	9.7
125.02359	4.1
125.09592	2.2
132.86131	0.9
133.09106	1.1
133.10139	20.1
135.11699	66.4
137.08644	1.4
137.09627	16.8
139.11182	3.1
147.11740	1.5
149.13293	7.4
151.03893	2.2
151.11201	10.4
151.14818	13.9
153.12729	2.5
165.12752	0.8
165.16422	2.9
167.07040	2.1
175.13338	1.2
175.14844	22.6
193.15892	23.5
211.06035	0.8
211.16960	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57922	0.9
53.03938	2.7
53.58176	0.8
54.74710	0.8
55.01860	2.1
55.05513	14.3
56.96575	10.6
57.03427	2.8
57.07076	6.5
59.05000	5.0
65.03925	2.7
67.05508	33.2
67.05872	1.8
69.03144	1.0
69.03436	11.9
69.06721	1.3
69.07074	20.8
69.57381	0.8
71.04999	15.7
71.08609	1.6
71.58447	0.9
79.05135	0.8
79.05502	9.2
81.03410	3.3
81.07063	48.4
83.04987	14.1
83.08620	12.8
84.96064	1.5
85.06559	5.8
87.04459	2.2
91.05476	9.7
93.06471	1.4
93.07050	23.7
95.01326	1.5
95.04359	1.5
95.04974	35.1
95.08608	44.8
97.02911	5.5
97.06532	7.7
97.10146	2.9
97.99189	4.5
99.04450	2.8
99.08096	5.4
103.05461	1.1
105.03365	1.4
105.07034	10.3
106.04174	0.9
106.20253	0.8
107.04953	1.6
107.08601	29.2
109.02883	1.8
109.06530	17.0
109.10160	100.0
111.08069	5.4
113.05995	1.2
113.09628	2.8
115.07582	4.4
116.00220	1.5
117.07024	0.9
119.04922	2.5
119.08582	29.5
121.06518	2.2
121.10143	16.4
122.03690	1.3
123.00777	2.8
123.04446	14.9
123.08071	16.8
123.11711	43.4
125.02359	98.3
125.09618	3.1
125.13287	1.2
127.03914	1.1
127.07536	1.7
127.11190	1.4
131.08508	1.7
133.06488	2.8
133.10146	27.0
135.04399	0.9
135.11697	77.4
137.05981	22.3
137.08650	1.6
137.09615	19.0
137.13245	2.3
138.10350	1.2
139.11197	2.3
141.01799	1.0
141.05420	2.0
141.12735	2.2
142.06094	3.0
147.04393	2.7
147.11670	3.2
149.06001	2.1
149.13246	8.9
151.03928	21.0
151.07597	1.8
151.11192	45.8
151.14815	12.3
153.12775	6.7
155.03365	1.9
155.08546	1.3
155.10689	2.3
159.57158	0.8
161.05969	1.0
165.05486	2.7
165.06802	1.0
165.09100	1.3
165.12820	1.0
165.16391	2.7
167.03389	3.8
167.07053	39.1
169.04964	2.9
169.10107	1.4
170.05772	5.1
175.14835	37.5
179.07014	4.0
181.08603	1.8
183.06496	1.2
193.08658	1.4
193.10585	0.8
193.12216	3.8
193.15904	22.2
196.12512	1.1
211.05888	5.9
211.07681	3.1
211.09656	2.1
211.14874	2.7
211.16928	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03938	1.1
55.05307	0.9
55.05514	11.9
57.03440	1.1
57.07082	5.1
57.68497	1.3
59.04994	2.8
60.05856	1.0
67.05177	1.6
67.05513	26.1
69.03444	8.2
69.07072	14.0
71.04988	4.0
71.08590	1.2
71.30371	1.5
79.05489	3.7
81.07067	26.0
83.04986	11.0
83.08624	9.8
85.06544	4.0
91.05465	3.8
93.07053	10.8
95.04962	2.4
95.08616	36.6
97.06520	1.1
97.10189	2.2
99.08102	3.6
99.25918	1.2
104.71538	1.0
105.07036	6.9
107.08607	22.2
109.06528	11.3
109.10167	100.0
111.08078	5.0
113.09629	1.5
113.61904	1.1
119.08591	25.3
121.10153	12.8
122.76302	1.1
123.08080	13.7
123.11704	10.5
125.09618	1.5
133.10147	19.4
135.11713	64.8
137.09627	16.4
147.11670	1.2
149.13268	5.1
151.11176	9.4
151.14836	11.2
153.12740	3.6
165.16397	2.3
175.14848	21.9
193.15900	19.3
211.16965	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	211.1695
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.11581	1.1
55.01874	5.6
55.05517	11.7
56.96547	1.7
57.03425	2.2
57.07075	2.3
59.04997	2.4
59.39518	1.1
67.05511	16.7
69.07069	21.0
71.04597	1.3
71.04995	25.0
79.05500	5.4
80.35489	1.3
81.03432	1.6
81.07065	18.6
83.04968	4.3
83.08610	5.1
85.06550	39.7
86.06846	1.1
91.05482	7.4
93.07057	33.9
95.04977	6.0
95.08611	28.9
97.06547	6.2
97.10143	1.7
98.21484	3.3
99.04465	1.7
99.07487	1.3
99.08099	18.7
101.05986	1.4
105.07053	8.6
107.08599	48.7
109.06509	2.8
109.10160	75.6
111.08088	5.7
111.34235	1.3
113.06023	6.2
115.07555	2.0
119.08584	18.9
119.09380	2.2
121.10166	10.4
123.04428	1.8
123.08076	3.7
123.11723	16.5
125.02351	8.3
125.09628	2.1
127.11179	7.6
133.10130	19.9
135.11699	100.0
137.05971	2.8
137.09631	5.9
139.11162	3.9
145.68661	1.1
147.11685	7.1
149.12178	1.8
149.13263	21.2
151.03932	4.5
151.11253	2.8
151.14839	5.9
153.12758	55.5
155.08572	1.4
158.27113	1.3
165.12766	2.2
167.07137	1.4
167.14404	2.9
175.14830	33.6
193.12256	3.1
193.15852	5.7
211.07677	1.8
211.11290	1.9
211.13287	2.3
211.16940	46.5
229.15346	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
54.13519	1.5
55.01870	2.2
55.05509	13.3
55.07349	1.4
56.96552	1.8
57.03442	3.6
57.07067	3.3
59.04982	3.4
65.03953	1.6
67.05502	21.3
67.81410	1.3
69.03431	7.0
69.07069	13.6
70.96902	1.5
71.04988	17.4
79.05489	6.0
81.03419	3.3
81.07057	22.9
83.04985	6.1
83.08616	10.9
85.06557	6.7
91.05483	9.5
93.07039	15.8
95.04974	34.4
95.08606	35.7
96.54871	1.2
97.02895	4.6
97.06534	8.1
97.10176	3.3
99.04431	4.5
99.08089	4.9
100.07634	1.4
103.05482	1.6
105.04505	1.6
105.07032	11.1
107.04963	1.6
107.08595	21.3
109.06528	10.7
109.10155	61.2
111.08069	22.2
112.04765	1.3
113.06010	2.9
115.07572	2.5
119.04951	1.5
119.08583	28.0
120.91145	1.2
121.06528	2.2
121.10138	17.6
123.00758	1.8
123.04447	10.3
123.08073	22.8
123.11709	20.8
125.02351	100.0
125.09637	4.3
127.07566	1.7
127.11240	1.5
133.06462	3.3
133.10120	22.1
135.10687	2.6
135.11691	45.5
136.11980	1.5
137.05965	13.4
137.09615	42.2
137.13248	2.2
138.10339	2.0
139.11177	2.9
141.05493	1.9
141.09103	1.9
147.04437	2.1
147.11708	3.6
149.06000	2.6
149.13269	12.0
151.03909	13.9
151.07564	1.5
151.11169	4.9
151.14833	6.7
153.12737	5.9
165.05583	2.4
165.12740	6.7
165.16443	1.8
167.03418	3.3
167.07040	27.0
169.04980	2.4
175.14835	37.8
179.07114	2.2
181.08669	1.7
183.15755	6.1
193.05081	1.6
193.12311	1.7
193.15901	19.2
196.05211	1.6
211.05984	4.9
211.07584	5.1
211.09453	2.1
211.15181	2.8
211.16945	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03955	1.1
55.01871	1.2
55.05516	17.1
57.03436	4.7
57.07076	3.4
59.04999	1.2
60.33514	0.7
61.10107	0.7
67.05512	25.2
67.05875	1.2
68.16618	0.8
69.03434	2.2
69.07069	13.9
69.39526	0.6
70.91029	1.1
70.91354	0.9
71.05003	6.5
71.08647	1.3
77.03975	0.8
79.05499	6.8
81.07062	31.3
83.04994	8.2
83.08625	12.3
85.06555	6.0
85.13342	0.8
91.05475	5.8
93.07056	20.4
95.04996	2.4
95.08614	55.4
97.06550	8.1
97.09634	0.8
97.10190	4.1
99.08093	3.0
105.07048	11.1
107.08601	27.4
109.06529	12.1
109.10165	98.6
111.08090	42.6
111.08874	1.5
113.06023	2.1
113.09647	1.7
119.08594	43.3
121.10156	28.4
122.07291	1.7
123.08084	46.4
123.11717	18.6
124.08861	0.8
125.09638	5.3
127.11230	1.7
133.10143	41.6
135.11707	53.5
136.12161	0.7
137.09628	100.0
137.13206	5.1
138.10445	7.9
139.11180	3.1
145.10033	0.8
147.11711	7.7
149.13258	17.4
151.11198	6.6
151.14836	10.3
160.12473	0.8
163.11218	2.2
165.12788	12.2
165.16402	4.9
175.14841	62.6
178.13538	2.3
193.15900	40.4
211.16951	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.86679	1.4
51.27510	1.5
52.21634	1.6
53.03946	2.6
54.57657	1.6
55.01870	2.4
55.05513	11.3
56.96564	3.3
57.03415	3.2
57.07068	4.2
59.05002	3.0
65.07174	1.5
67.05511	21.8
69.03431	3.4
69.07067	11.9
69.43739	4.3
69.44159	9.5
71.04990	18.0
71.64580	1.5
79.05494	8.1
81.03427	21.2
81.07064	49.3
83.04986	5.3
83.08619	9.1
85.06528	5.6
89.06007	4.0
91.05503	8.8
93.07053	29.0
95.04974	43.7
95.08617	27.3
97.06502	4.7
97.10143	1.7
98.21180	7.2
99.04451	4.3
105.07053	15.4
107.08604	26.1
109.06515	4.8
109.10164	66.9
111.08086	6.6
113.09656	1.7
113.60670	1.6
115.07577	1.8
119.08570	15.0
121.02893	1.9
121.06509	3.2
121.10152	18.8
121.22553	1.4
123.04464	1.6
123.08083	7.9
123.11720	82.0
125.02383	13.3
125.09591	3.1
131.08620	2.4
133.10147	28.9
135.11702	25.4
137.05988	4.5
137.09637	11.4
147.11679	5.4
149.13281	31.8
151.03862	2.1
151.11191	100.0
153.12737	5.0
163.14803	1.8
167.07219	1.5
167.12993	3.0
167.14328	41.9
167.63615	1.7
169.04907	1.5
175.14807	18.8
193.15889	15.9
211.11266	2.4
211.13080	1.7
211.16940	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03933	1.6
55.05514	17.4
57.03428	5.1
57.07071	4.8
59.04989	2.0
59.69115	1.4
67.05508	25.0
67.41544	1.1
69.03411	2.7
69.07072	15.2
69.82318	5.4
71.04989	4.4
79.05486	5.4
81.07062	26.9
83.04980	8.3
83.08625	12.6
85.06545	4.7
88.82561	1.2
91.05463	4.3
93.07053	16.5
95.04964	4.5
95.08614	51.9
97.06543	8.6
97.10163	4.6
98.20798	2.3
99.08083	4.6
105.07043	10.7
107.08594	25.2
109.06541	11.2
109.10161	88.8
111.07362	2.4
111.08087	36.9
112.65875	1.2
113.05998	1.4
119.08588	42.9
121.10152	26.6
121.47201	1.3
122.07250	2.1
123.08079	41.9
123.11713	16.4
125.09631	5.6
127.11200	3.0
133.10141	40.9
133.10896	0.8
135.10677	2.5
135.11702	47.8
137.09622	100.0
137.13228	4.9
138.10411	8.0
139.11179	2.9
147.11671	6.1
149.13277	14.7
151.11200	9.7
151.14819	11.7
163.11194	3.4
165.12785	11.6
165.16406	3.5
175.14839	60.5
178.13535	2.3
193.15892	41.0
202.32732	1.1
208.87456	1.5
211.16934	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.23325	0.5
51.02424	0.6
53.00279	0.6
53.03952	6.3
53.68922	0.6
55.01870	2.0
55.05513	3.7
56.96564	1.0
57.03442	0.8
57.07092	0.7
60.08704	0.5
65.03953	0.9
66.92248	0.7
67.05508	3.6
68.64430	0.6
69.03440	1.7
69.07051	3.3
71.01347	0.9
71.05009	2.8
71.31702	1.4
72.08178	0.6
77.03934	1.8
79.05498	19.6
81.03430	6.2
81.07061	5.6
83.01334	4.0
83.04989	2.9
85.02894	1.1
85.06581	0.9
91.05488	4.2
93.07060	4.1
95.01326	1.1
95.04975	82.4
95.08620	1.7
97.02885	1.1
97.06538	12.0
98.97579	2.1
99.04462	1.2
101.02394	0.9
103.05470	2.7
105.03369	0.8
105.04538	2.9
105.07037	3.4
107.04964	25.8
107.08610	1.6
109.02887	20.8
109.06508	3.7
109.10199	0.8
111.04427	0.8
113.06030	0.9
115.05456	1.3
116.98672	0.8
119.04946	0.7
121.06517	4.3
121.10179	1.4
123.00774	2.7
123.04436	69.2
123.08043	1.2
125.02379	4.5
125.06007	7.4
126.02715	0.9
127.02980	1.3
127.03921	18.3
133.92401	0.6
135.04477	3.1
135.08043	3.7
135.11668	1.6
137.06024	0.6
139.03911	10.4
139.07555	0.7
141.05473	100.0
147.04414	0.7
149.06012	3.0
149.09651	1.1
151.03909	3.7
151.07521	1.4
153.05475	32.6
153.12776	0.9
154.06094	0.8
163.07562	6.2
165.05516	1.0
167.07062	8.9
169.04990	7.5
171.06535	70.6
177.05495	1.0
177.09103	0.9
180.07924	0.9
195.06543	9.4
195.10187	13.3
195.11877	1.1
207.06425	0.8
213.05527	1.5
213.07568	12.5
213.09464	1.0
213.10948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0912
Annotation	9,10-dihydrophenanthrene-9,10-diol
Peak:m/z	Relative Intensity
52.56395	0.3
55.01879	1.9
55.05502	0.5
59.86559	0.3
61.75352	0.3
65.03912	0.4
67.05509	1.8
69.03432	0.7
69.07063	0.7
69.59644	2.0
70.71526	0.4
71.05010	1.5
79.05489	1.3
81.07057	3.3
83.04982	0.4
85.06534	0.8
91.05482	1.5
93.07075	2.0
94.98104	0.3
95.08612	1.5
97.06521	0.5
98.97565	0.4
105.07023	0.8
107.04974	0.7
107.08588	1.0
109.10140	1.3
115.05438	1.2
115.85251	0.3
117.07029	0.9
119.04946	1.4
119.08551	0.3
121.06564	0.4
121.10155	0.5
128.06209	3.1
129.07018	9.7
131.08588	0.9
133.10123	0.7
135.11714	2.0
139.27837	0.3
141.06990	5.3
142.07796	25.3
143.08575	1.9
144.05702	0.4
145.06468	0.8
149.13309	0.5
152.06215	2.8
153.07037	3.7
154.07787	9.3
155.08554	0.7
157.06508	1.4
157.10144	11.1
159.08076	0.4
159.11725	1.0
165.07037	1.7
166.07796	0.5
167.08574	3.2
169.06468	1.2
169.07803	0.4
169.10130	4.9
170.07294	5.3
171.08046	1.1
177.12759	0.8
177.16522	0.3
185.09631	22.7
195.08072	4.7
195.13904	0.3
195.17548	0.3
197.05991	1.2
198.06773	8.5
213.09122	100.0
214.09422	1.2
225.03207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03948	1.4
55.05518	17.9
56.96572	0.8
57.03448	1.6
57.07083	9.4
67.05505	5.0
68.44919	0.9
69.03416	1.1
69.07059	4.3
70.06600	0.9
70.14230	2.4
77.44064	0.7
79.05500	3.8
81.07063	5.6
83.04990	9.1
83.08644	1.3
84.04584	0.8
85.06564	5.4
88.07652	1.5
91.05487	4.2
93.07059	11.7
95.04993	1.9
95.08612	12.5
97.06553	6.1
105.07054	4.2
107.04975	1.3
107.08604	16.8
109.06538	4.5
109.10163	3.8
111.04454	100.0
111.08061	4.6
113.06014	1.1
117.07014	1.6
119.08585	3.1
121.06520	2.8
121.10155	3.1
122.42801	0.8
123.08064	1.3
125.06007	28.6
127.07576	3.6
130.07811	1.7
135.08069	13.9
135.11708	21.8
137.13278	1.9
139.07590	4.5
143.08565	2.1
145.10138	16.8
153.12740	5.7
157.10124	1.9
163.11203	25.2
171.11678	1.8
181.12247	59.8
195.13843	4.6
213.12967	1.7
213.14821	2.6
213.16565	5.0
230.42264	0.9
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	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03946	1.0
55.01668	0.8
55.01875	9.5
55.05515	44.7
59.05002	1.0
63.87532	0.7
64.68736	0.8
67.05179	1.2
67.05511	17.8
69.03443	3.7
69.06786	0.8
69.07077	9.2
69.27421	2.5
69.27837	4.2
71.04999	46.5
73.14690	0.7
79.05497	11.2
81.06590	1.2
81.07063	19.4
83.04977	3.3
83.08622	30.4
85.06554	4.9
87.04472	8.6
91.05481	3.6
93.07052	11.9
95.08611	6.7
97.06538	68.8
97.10178	45.0
101.09643	1.5
105.07027	2.9
107.08604	14.2
109.06509	1.1
109.10157	11.0
111.08070	2.2
113.06044	0.9
117.07014	2.9
120.51914	0.8
121.06542	0.8
121.10146	1.8
125.09634	26.4
131.08568	3.2
133.10094	3.1
135.08076	5.5
135.11693	4.8
147.11708	1.2
149.09579	1.0
149.13258	3.6
153.09177	0.9
157.89934	0.8
159.11731	4.3
167.14299	1.2
171.10143	1.7
177.12761	5.5
189.11227	3.8
195.13820	37.2
213.14864	100.0
214.15334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03954	5.0
53.76188	2.4
55.01875	3.5
55.05515	20.4
56.96558	7.6
57.03438	14.7
57.07064	6.8
65.03934	2.3
65.66602	2.2
67.05507	77.6
69.07074	31.1
69.80353	11.5
71.04976	8.5
73.77724	2.4
79.05495	44.6
81.03436	2.5
81.07060	100.0
83.04998	10.8
83.08627	24.8
85.06530	7.0
88.07639	8.1
91.05492	25.2
92.88522	1.9
93.07048	73.6
95.04948	6.8
95.08604	31.9
97.02953	3.0
97.06536	18.8
97.10172	3.0
98.97572	5.3
99.08073	5.2
105.06996	10.4
107.04940	3.4
107.08603	47.6
109.06493	4.2
109.10136	5.9
111.08084	8.7
113.46837	2.2
115.05452	3.2
116.98547	2.1
117.07013	10.1
119.08567	4.5
121.06503	3.2
121.10161	27.2
123.08082	2.1
123.11669	2.3
125.05933	2.5
127.02956	2.1
128.06227	3.4
129.06989	7.0
131.08597	14.4
133.10141	9.9
135.08093	5.1
135.11671	11.5
139.07585	2.7
139.11191	2.7
140.04646	2.6
141.07056	2.1
142.07762	2.8
143.08522	10.0
149.09618	2.5
149.13271	57.9
151.03847	3.4
157.06546	2.6
157.10123	11.7
159.11728	19.1
167.07085	3.8
170.03622	2.8
171.11705	8.5
177.12798	12.1
185.05843	2.9
195.06537	5.0
195.13834	10.7
213.05400	17.7
213.07143	2.2
213.09229	4.2
213.11041	4.4
213.12971	5.1
213.16451	23.8
213.18394	3.1
216.04152	4.7
231.06569	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
52.36861	2.4
53.03938	2.4
55.01874	3.2
55.05269	2.2
55.05513	33.6
56.96558	4.8
57.07062	7.7
57.16237	2.4
59.04991	5.3
67.05518	16.1
69.03423	4.8
69.07075	75.1
69.38056	18.4
71.05005	15.9
71.08637	2.6
73.02915	2.7
79.05503	12.6
81.07056	47.4
83.04966	5.8
83.08621	17.0
85.06560	35.0
91.05459	7.3
93.07049	29.2
95.04979	2.5
95.08612	68.5
97.06511	7.4
97.10175	19.1
98.97595	19.1
99.08108	20.0
105.03412	4.1
105.07025	5.8
107.08603	35.3
108.08902	2.3
109.10169	27.2
110.97590	7.6
111.04442	2.4
111.08055	4.3
111.11737	4.0
113.09637	10.2
121.06567	2.7
121.10145	60.8
123.04465	12.1
123.11701	9.5
125.09603	7.6
128.98602	4.0
129.07018	8.3
135.11697	40.0
137.13261	27.8
139.11182	12.1
141.06992	7.1
142.07787	23.4
145.06352	2.6
149.13249	8.5
152.06227	4.5
153.06984	3.9
153.12718	14.2
154.07797	7.6
157.10143	14.7
159.11658	3.0
165.09157	8.7
167.08589	3.8
169.10159	5.6
170.07266	5.9
171.08049	3.9
177.16403	70.3
185.09631	31.2
195.08147	5.3
195.17500	11.4
198.06796	6.8
213.05840	4.0
213.09123	100.0
213.18457	6.9
214.09399	3.7
219.01756	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
52.32058	1.9
52.92319	2.0
55.01870	6.3
55.05263	3.2
55.05516	49.5
56.96554	6.4
57.03427	4.2
57.07063	9.3
59.04991	7.3
67.05515	24.3
69.03429	3.3
69.07076	90.9
69.52539	12.3
71.04998	21.7
72.46487	1.9
73.02914	3.2
79.05499	12.4
81.07066	63.8
83.04989	11.4
83.08610	25.1
85.06554	40.6
91.05473	7.9
91.18084	2.1
93.07053	35.2
95.04935	2.3
95.08618	97.0
97.06531	9.2
97.10186	19.3
98.97604	16.9
99.08104	26.2
105.03392	5.0
105.07050	3.6
107.08604	59.2
109.10175	32.8
110.97572	8.5
111.08113	5.2
111.11726	13.5
113.09663	16.4
116.98609	3.4
119.08593	5.1
121.10152	69.7
123.04427	10.6
123.11736	10.6
125.09630	8.2
128.06293	2.7
128.98602	6.6
129.07025	9.7
133.10027	2.3
135.11710	47.7
137.13266	40.2
139.11195	16.6
141.06894	2.4
142.07809	22.2
143.08571	3.4
149.13251	9.3
151.14825	6.9
152.06227	2.5
153.06950	2.5
153.12735	18.3
154.07776	8.2
157.10144	11.6
165.07027	2.5
165.09209	10.6
167.08603	3.1
169.10155	2.2
170.07292	7.0
173.02872	2.9
177.16403	90.0
179.06247	2.7
185.09659	24.2
195.17485	17.6
198.06805	6.9
213.09129	100.0
213.18504	12.3
219.01773	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03942	3.4
55.01868	4.7
55.05259	2.8
55.05515	41.9
57.03436	2.6
57.07076	10.2
59.05001	6.9
67.05512	20.0
69.03436	2.5
69.07072	100.0
70.89859	4.5
70.90223	1.5
71.04993	16.5
71.08610	2.1
73.06573	1.5
79.05485	13.5
81.07061	56.5
83.04981	13.1
83.08624	20.6
85.06553	35.8
88.07628	1.6
91.05469	4.7
93.07047	38.7
95.08613	86.2
97.06531	9.7
97.10172	23.6
99.08108	26.1
105.07028	4.8
107.08598	54.9
109.06509	2.0
109.10165	31.6
111.04415	2.8
111.08087	6.4
111.11719	9.4
113.09661	14.5
121.06516	2.5
121.10147	71.1
123.11738	13.6
125.09605	12.0
125.13261	2.8
127.11172	2.4
129.05455	2.5
129.07010	6.1
135.11699	50.0
137.13264	35.6
139.11209	13.8
141.06998	1.9
142.07806	12.1
149.13321	9.1
151.14836	6.2
153.06949	1.9
153.12764	19.5
154.07820	2.8
157.10162	4.5
159.11752	1.6
177.16402	93.0
185.09630	10.6
195.08138	2.0
195.17461	22.2
198.06747	2.8
213.09117	49.2
213.12450	2.0
213.14790	1.9
213.18431	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	214.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
55.05514	48.4
67.05507	26.8
69.07073	47.1
69.89571	9.5
70.58466	1.6
71.04984	4.8
73.06549	2.4
79.05504	12.1
81.07063	73.7
83.04977	4.9
83.08619	39.7
85.06541	5.6
87.04447	1.7
90.01861	1.5
90.02460	1.9
91.05499	11.8
93.07043	18.1
95.08611	94.3
97.06538	14.6
97.10174	16.4
99.08080	4.2
101.06000	2.0
105.07043	17.4
107.08608	8.1
109.06493	2.9
109.10139	4.8
111.08065	4.7
115.07587	2.7
119.08575	28.1
121.10171	8.3
123.08083	9.2
127.07483	2.5
133.10133	21.0
135.11684	15.3
137.09618	6.6
137.13254	20.3
161.11971	3.3
161.13268	52.5
161.14616	3.0
179.14328	16.5
196.16963	15.8
206.15277	1.9
214.18031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62263	0.3
53.03950	0.8
53.57775	0.4
55.01873	1.9
55.05508	0.8
57.03421	0.6
65.03960	0.4
67.05484	1.0
69.03429	1.2
69.07041	0.5
71.23994	0.9
72.93797	0.9
76.72623	0.3
79.05492	2.6
81.03405	1.2
81.07064	7.2
83.04977	1.0
88.36214	0.3
88.76102	0.4
90.94831	1.3
91.05466	1.4
93.07056	1.9
95.04952	1.5
95.08599	1.4
97.02880	1.8
97.06526	2.2
98.97573	0.6
98.98462	0.4
99.04442	0.4
105.07034	2.2
107.04936	0.6
107.08624	0.4
109.06523	33.3
110.46079	0.4
111.04400	0.5
111.08078	4.2
115.05434	0.4
121.06506	1.3
123.08083	2.2
125.02355	3.1
125.05997	8.4
132.95856	5.7
133.06471	1.7
135.08084	0.5
137.05984	13.8
139.01550	1.0
139.04004	0.4
139.07516	0.4
143.03442	0.7
149.96138	0.9
150.96895	5.1
151.07542	2.4
155.07036	100.0
156.07358	0.8
161.06064	0.6
169.07338	1.7
169.08856	2.2
179.07028	2.2
183.04501	0.4
187.07559	1.1
191.97189	3.3
197.08122	5.4
209.98245	1.2
215.07083	1.2
215.09331	2.4
215.14255	0.4
237.86375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0915
Annotation	Botryolide E
Peak:m/z	Relative Intensity
50.23904	0.3
53.03949	0.5
55.01880	1.7
55.05512	0.9
56.96557	0.6
67.05502	1.1
69.03414	0.9
69.71373	2.3
72.93775	0.4
74.67974	0.3
79.05488	2.6
81.03411	1.1
81.07063	6.7
83.04984	0.6
83.08640	0.4
85.06542	0.4
90.94831	1.0
91.05495	1.8
93.07043	2.0
95.04971	1.1
95.08609	1.2
97.02914	2.2
97.06532	2.0
98.20807	0.6
98.97585	1.2
98.98436	0.5
99.04430	0.4
104.45377	0.4
105.07061	1.9
107.04937	0.6
107.08609	0.6
109.06520	31.7
111.08080	4.8
121.06504	1.6
122.20654	0.3
123.08084	2.3
125.02342	2.7
125.05992	8.6
127.03877	0.5
127.07530	0.4
132.95842	5.6
133.06519	2.1
137.05984	14.2
139.01550	0.6
143.03421	1.1
149.96117	1.0
150.96890	4.3
151.03848	0.4
151.07535	3.0
155.07033	100.0
156.07353	0.5
161.05952	0.9
167.97231	0.6
169.07594	2.4
169.08650	2.5
179.07062	2.1
187.07513	0.5
191.97182	2.9
197.08105	5.7
209.98264	0.5
215.09354	3.0
215.12505	0.4
215.14615	0.7
222.29379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1069
Annotation	1,1-Bis(4-hydroxyphenyl)ethane
Peak:m/z	Relative Intensity
50.59626	0.9
53.03949	2.3
53.08054	0.8
55.01882	6.3
55.05497	4.0
55.61385	0.8
56.25254	0.9
61.72353	0.9
62.38806	0.9
63.43917	0.8
64.60000	0.9
65.03929	1.1
67.05495	3.5
67.86168	0.8
69.03418	1.1
69.91734	1.0
71.25771	1.0
71.26110	1.8
78.72147	0.9
79.05491	10.4
80.03661	0.8
81.03424	1.1
81.07034	2.8
83.04982	2.2
86.76257	0.9
91.05486	8.3
93.07100	1.7
95.04968	8.6
105.06388	1.7
105.07043	18.8
107.04962	4.7
109.06543	0.9
115.05451	3.1
116.06242	1.0
117.07025	9.5
119.04945	3.1
119.08602	3.5
121.06525	19.2
128.06242	4.5
129.07010	9.0
130.07758	4.5
131.04837	0.9
131.08577	15.6
133.06511	2.3
133.10139	11.2
135.04411	4.6
141.07011	8.3
142.07802	1.6
143.08591	6.2
144.05688	2.5
144.09341	9.1
145.06496	21.5
145.10132	16.2
146.07243	2.6
151.11618	1.0
153.06981	2.8
154.07753	9.4
155.06093	1.3
155.08560	7.2
156.09396	2.2
157.06482	2.3
157.10149	5.5
158.07265	13.3
159.06827	1.8
159.08080	27.0
159.11711	26.4
167.08607	1.6
169.10149	20.4
171.08064	3.3
171.11719	1.8
172.08846	9.0
173.06036	1.9
173.09645	39.6
174.06773	1.3
178.07779	1.6
179.08601	7.7
181.06421	2.4
182.07263	6.2
187.11200	81.0
197.09644	27.8
200.08508	1.3
215.10703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01866	2.9
55.05509	2.6
56.28633	0.5
56.96574	2.5
65.03955	0.7
67.05167	1.0
67.05508	13.2
69.03429	2.9
69.07059	1.4
69.36357	4.7
70.09450	0.5
71.04992	1.1
73.02911	0.7
74.09711	2.0
79.05499	4.3
81.03442	1.3
81.07065	5.8
83.04945	0.6
83.08614	1.0
85.02891	1.3
85.06582	0.5
91.05488	35.7
93.07048	18.5
93.07629	1.1
94.07378	0.5
94.55150	0.5
95.04993	3.4
95.08611	25.9
97.02911	0.5
97.06541	0.8
98.98482	1.3
101.02390	6.9
103.05479	1.8
105.07040	6.2
107.04916	0.9
107.08563	0.7
108.99609	0.5
109.06515	1.5
109.09454	1.1
109.10163	15.8
116.98576	0.6
117.07034	3.6
119.08588	100.0
120.08942	1.0
121.06519	10.6
121.10168	1.0
122.06842	1.3
123.04445	0.8
123.08073	3.4
127.00703	2.8
128.06215	1.4
129.06999	3.5
130.07840	0.7
131.08574	2.7
132.95853	0.9
133.10138	2.0
137.09625	77.5
138.09923	0.7
139.01556	1.5
141.06976	1.4
143.08545	1.4
144.09384	1.0
145.01768	1.6
145.06461	1.9
145.10168	3.8
147.08051	20.1
147.11598	0.6
150.96855	1.4
153.06978	0.5
154.07806	1.3
155.08571	0.7
155.10690	3.5
156.09389	0.9
156.55794	0.5
157.10188	0.9
158.07298	0.8
159.08066	1.9
159.11748	4.7
161.09642	0.6
161.13261	0.9
162.30702	0.5
165.09134	39.8
169.10164	3.2
171.11768	0.6
172.08911	1.2
173.09613	2.9
173.13208	1.3
179.08612	0.6
181.06522	0.8
182.07309	0.9
183.10164	3.7
187.11229	5.4
191.97159	1.2
197.04819	1.3
197.09645	2.7
197.11740	6.6
197.13437	0.7
201.11235	29.8
215.10832	8.9
215.12679	1.2
215.14340	2.1
215.17966	3.6
223.02733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1643
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
51.46092	1.2
53.03954	1.8
54.56327	1.2
55.01860	2.0
55.05263	1.6
55.05516	25.9
57.03429	3.7
57.07063	3.4
59.05001	1.0
61.13494	0.9
64.18159	1.0
67.05508	32.2
69.03406	1.0
69.07072	24.8
69.45938	5.0
69.46365	3.4
70.49413	1.1
71.04991	13.9
72.81305	1.1
73.02970	1.2
78.89870	1.1
79.05499	15.7
81.07064	81.0
83.04972	5.8
83.08623	20.5
85.06074	1.4
85.06549	21.5
91.05488	19.2
93.07046	23.1
95.08614	100.0
97.06540	27.0
97.10181	9.1
97.81779	1.0
98.21016	4.2
99.08088	9.5
100.64063	1.1
101.06028	2.5
105.07036	26.5
107.08608	10.1
109.06508	2.2
109.10166	9.1
111.08073	4.8
113.09621	2.8
115.07576	2.5
119.08592	37.6
121.10151	12.4
123.08095	7.9
127.07539	1.3
131.08588	1.7
133.10141	28.9
135.11700	18.7
137.09615	4.1
137.13263	20.7
139.01550	1.3
141.09053	1.7
149.13298	1.3
151.11197	1.5
159.11729	1.1
161.13274	83.8
161.20839	1.0
179.14323	47.0
190.26498	1.0
197.15392	17.4
215.18079	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1644
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
55.01882	5.6
55.05517	19.3
57.03422	2.7
57.07073	3.4
58.42965	2.2
62.16117	2.4
67.04121	2.0
67.05505	34.8
69.03426	4.3
69.07082	21.2
69.09983	2.4
69.56119	12.6
71.05000	16.3
77.52932	2.2
79.05496	21.0
81.07064	69.0
83.04989	5.4
83.08628	18.6
85.06552	16.3
91.05480	22.4
93.07063	23.6
95.04971	5.6
95.08614	100.0
97.06538	30.8
97.10167	9.4
98.20723	2.8
99.08090	11.1
105.07038	29.5
105.16093	2.1
107.08637	12.2
109.06525	6.6
109.10161	14.7
111.08085	4.7
113.09669	3.3
117.06994	2.5
119.08588	34.9
121.06551	3.2
121.10153	8.9
123.08079	6.5
131.08540	3.2
133.10133	38.5
135.11684	17.6
137.09613	3.8
137.13290	12.6
141.07001	4.2
145.06432	2.7
145.10161	4.2
151.11185	8.1
154.07787	3.5
159.08179	4.1
159.11702	5.7
161.13275	86.6
169.10126	4.5
173.09686	6.3
179.14326	39.9
187.11205	7.1
197.09689	3.8
197.15387	20.1
215.07135	5.9
215.10709	18.6
215.14427	2.9
215.16403	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	215.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01864	1.3
55.05517	9.8
56.96554	2.1
57.07074	2.0
63.41034	1.2
67.05507	33.2
69.07071	21.5
71.04992	3.5
71.57185	1.3
71.57588	1.5
74.09721	3.4
79.05493	8.1
81.07063	89.7
83.04996	1.8
83.08630	6.8
83.09045	1.3
85.06551	2.6
85.10200	1.2
88.95221	1.2
91.05481	10.0
93.07063	7.9
95.04961	3.3
95.08614	100.0
97.10157	1.8
98.21166	1.4
98.98467	2.8
105.07037	11.9
107.08605	3.6
109.06493	2.2
109.10167	5.5
117.07021	5.4
118.07874	1.3
119.08588	10.3
121.06528	3.5
121.10149	4.2
125.75985	1.0
128.06296	1.3
129.07022	3.2
131.08574	10.1
132.95851	3.7
133.10143	7.8
135.11719	3.4
137.09605	2.7
137.13263	59.8
139.01543	3.9
141.06972	2.9
143.08554	3.1
144.09341	1.7
145.06511	3.4
145.10129	8.5
150.96878	2.9
154.07770	4.1
155.08534	1.8
155.14316	49.0
157.10077	2.2
158.07303	2.3
159.08112	3.3
159.11723	10.8
159.12917	2.2
161.13242	7.6
169.06386	1.7
169.10164	8.1
171.11644	1.5
173.09718	5.6
173.13240	4.0
179.08553	2.0
179.14343	3.7
182.07278	1.8
187.11221	15.1
187.14810	3.7
191.97185	2.7
197.09662	3.5
197.15372	2.0
207.99095	1.3
209.98265	1.2
213.47118	1.3
215.06966	1.4
215.10738	20.9
215.14378	4.0
215.17955	16.4
223.92824	1.2
228.45001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05269	1.2
55.05512	21.1
57.03435	5.2
57.07063	2.7
67.05509	30.5
69.03412	1.2
69.06719	1.6
69.07067	19.9
69.49207	5.9
71.04996	10.8
77.59699	0.9
77.60181	0.8
79.05073	0.9
79.05501	15.5
81.07061	63.5
83.04984	5.3
83.08624	16.9
85.06557	11.2
91.05486	19.4
93.06467	1.6
93.07042	22.8
95.04951	1.5
95.08611	100.0
97.06535	18.7
97.10165	8.1
98.20731	1.8
99.08111	6.4
99.46303	0.9
101.06005	1.4
105.07033	29.2
107.08597	9.9
109.06506	3.2
109.10157	8.2
111.08130	4.9
113.09635	2.8
115.07552	1.7
115.32195	0.9
117.06986	1.9
119.08589	42.1
119.09471	2.0
121.06535	1.2
121.10155	11.9
123.08090	8.5
127.07584	1.4
129.06973	0.9
131.08548	1.1
133.10135	27.7
135.11708	21.9
137.09604	3.4
137.13261	20.1
145.10127	0.9
151.14853	1.2
159.11748	2.0
161.13264	92.5
169.10147	1.8
172.96805	0.9
173.09697	1.5
179.14320	46.4
187.11165	3.6
197.09529	1.3
197.15393	6.7
215.10930	5.1
215.16483	2.5
228.19968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01883	3.4
55.05513	26.3
57.03433	3.8
57.07078	3.7
57.47617	2.4
59.99089	2.1
67.05508	30.4
69.03428	2.9
69.07072	25.9
71.05006	14.3
71.58343	2.2
74.09702	2.9
76.06583	2.3
79.05518	15.8
81.06585	5.3
81.07060	82.3
83.04993	5.8
83.08620	28.3
85.06532	22.2
91.05488	24.2
93.07053	31.5
95.04977	5.0
95.08609	100.0
97.06541	25.5
97.10182	10.5
97.87562	2.3
98.98460	6.1
99.08112	11.5
105.07036	34.2
107.08569	14.1
109.06544	4.3
109.10159	8.3
111.08125	6.0
111.72661	2.5
117.07036	3.0
119.08594	45.8
121.10119	14.9
123.08100	6.2
123.11745	2.8
129.07007	4.8
131.08594	8.6
132.95903	4.9
133.10132	25.3
135.11688	25.2
137.09657	6.1
137.13277	14.8
139.01572	4.9
141.06967	3.5
143.89780	2.7
144.05708	4.7
145.10181	6.4
147.29298	2.5
150.96880	7.4
155.04889	3.8
155.07036	5.6
155.29379	2.3
159.08057	7.0
159.11734	6.0
161.13271	86.2
169.06403	2.5
169.75787	2.6
172.05203	6.2
173.09633	3.9
179.14320	39.7
179.15820	3.3
183.04359	3.9
187.07458	12.9
187.11273	4.4
197.15411	17.4
197.17073	3.7
200.04814	3.2
215.07005	19.0
215.08800	5.2
215.10718	9.1
215.14354	9.6
215.17978	8.7
216.12407	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	215.1645
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03939	1.7
55.01874	2.6
55.05514	17.8
57.03430	2.7
57.07089	1.4
65.03943	1.6
67.05510	25.7
69.07076	20.6
69.62955	3.7
69.63364	3.7
71.04997	16.3
73.06556	1.6
74.31310	1.4
79.05499	16.5
81.07065	64.9
83.04989	5.1
83.08636	16.9
85.06547	17.1
85.09698	1.0
91.05489	19.4
93.07053	18.0
95.08617	100.0
97.06543	30.4
97.10177	6.5
98.06492	1.2
98.20649	2.0
98.71865	1.3
99.08101	10.3
101.06000	1.3
105.07034	21.5
107.08610	11.1
109.06536	2.6
109.10165	6.3
110.74637	1.4
111.08087	6.5
113.09656	4.3
115.07598	1.6
119.07784	2.3
119.08594	30.1
121.10165	7.1
123.08053	6.2
123.11719	1.6
133.10155	22.9
135.11705	16.9
137.09613	3.2
137.13264	11.5
161.13277	68.3
179.14325	39.0
182.07271	1.3
187.11195	1.5
197.09616	1.7
197.15388	20.1
215.10538	2.5
215.16461	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	215.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01867	2.9
55.05510	19.8
57.03434	4.9
57.07072	2.1
65.27631	1.3
67.05508	28.8
69.03430	2.9
69.07071	27.1
69.45984	1.6
71.04998	13.8
71.59463	1.8
74.09697	2.3
79.05497	16.8
81.07059	67.9
83.04973	9.2
83.08619	20.2
85.06545	24.7
91.05486	22.3
93.07057	21.6
95.04984	2.0
95.08611	100.0
97.06537	19.5
97.10151	8.2
98.98457	3.4
99.08094	9.8
101.06041	1.5
103.05486	2.8
105.07037	27.7
105.57919	1.4
107.08584	12.3
109.06528	5.1
109.10188	8.6
109.10835	1.9
111.08087	4.3
113.09634	2.9
115.05484	3.5
115.07558	3.2
117.06988	4.1
119.08588	33.7
121.06557	2.4
121.10150	10.8
123.08051	7.0
127.07577	2.7
128.06235	16.5
129.07010	42.0
131.04941	2.1
131.08569	5.9
132.95833	2.6
133.10129	27.4
135.11711	18.3
137.09599	2.7
137.13255	19.1
139.01524	4.8
141.06998	4.1
141.09140	2.0
143.08560	2.0
144.05710	3.6
145.06479	4.4
145.10095	5.7
150.96942	4.3
155.04898	4.7
155.05998	3.0
155.07089	3.3
155.08539	2.3
157.06494	31.6
157.10159	1.9
159.04361	2.9
159.08061	5.2
159.11697	3.5
161.13264	72.0
161.14615	3.5
169.06458	3.0
169.10120	2.3
172.05191	4.7
173.09668	2.9
173.13307	2.1
179.14323	37.8
183.04453	4.6
185.06023	2.2
187.07549	54.4
187.11179	3.5
197.05977	2.3
197.15341	17.4
200.04742	2.9
209.98241	1.8
215.03500	3.2
215.06964	23.4
215.09044	1.9
215.10468	7.4
215.14337	12.1
215.18018	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	215.1644
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03942	1.7
55.01874	3.2
55.05262	1.3
55.05516	22.7
56.96572	1.0
57.03442	6.4
57.07068	2.6
59.19270	0.7
60.10626	0.9
60.95824	0.8
61.97450	0.7
63.06084	0.7
65.03926	1.2
67.05508	34.0
69.03439	1.8
69.07070	22.1
71.04997	12.8
71.17060	1.6
73.06569	1.5
74.09715	1.8
74.92211	0.8
79.05496	18.6
81.07063	69.8
83.05000	5.5
83.08139	1.3
83.08623	18.0
85.02913	1.3
85.06069	1.0
85.06550	11.4
91.05485	25.2
93.07048	23.6
95.04979	3.0
95.08612	100.0
97.06535	24.0
97.10168	8.7
98.97562	1.4
98.98483	1.3
99.08091	6.7
101.06020	1.7
105.07037	30.5
107.08605	11.2
108.12742	0.8
109.06514	4.3
109.10153	10.0
111.08118	5.1
113.09645	2.4
115.07611	1.4
117.07024	3.3
119.08587	48.2
121.06523	2.3
121.10149	13.1
123.08064	6.9
127.07573	2.3
128.02361	1.3
128.06226	1.0
129.07004	1.5
131.08575	3.4
132.95869	2.3
133.10141	33.5
135.11697	22.3
137.09615	5.0
137.13252	17.7
139.01598	2.4
141.06961	1.3
141.09131	2.3
143.08618	1.2
144.09344	1.3
145.06496	2.7
145.10101	4.3
149.13310	0.9
150.96870	1.6
151.14787	1.0
154.07808	1.8
155.08583	0.8
159.08121	2.3
159.11696	5.8
161.13263	89.5
162.01802	1.7
169.10143	2.1
171.02315	0.9
173.09683	2.3
173.13290	2.2
179.14325	51.7
187.11194	8.3
191.17903	0.8
197.09705	2.6
197.15356	8.2
215.07156	1.2
215.10718	11.7
215.14343	2.1
215.16353	2.5
215.18199	4.4
237.50858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65726	1.8
55.01875	4.0
56.96571	20.0
57.03444	17.7
61.02926	29.4
68.00260	3.6
69.03064	4.1
69.03431	39.4
70.06581	3.5
71.01359	1.9
71.04995	4.2
71.55452	2.4
72.08158	4.1
73.02923	16.2
74.97617	3.7
75.01044	2.3
77.00824	2.7
80.00246	4.0
81.03426	4.8
83.00773	4.7
83.04986	11.9
85.02909	33.0
87.04463	5.0
89.00772	16.8
90.01536	2.9
92.01308	2.7
93.01047	3.1
95.00765	5.2
96.01561	5.9
97.02897	37.7
98.01309	16.7
98.97591	96.5
99.04484	9.4
101.00835	11.4
102.00941	3.8
102.01551	8.9
103.00578	3.0
103.02326	2.2
103.03945	5.5
104.01282	7.8
104.03111	2.0
107.01803	16.6
108.01563	2.5
109.02882	3.8
110.01310	10.2
110.97585	14.9
111.02063	27.3
111.04453	11.9
111.25359	2.0
112.99135	4.9
115.03930	3.6
116.01295	7.9
116.98629	23.8
117.02073	6.1
119.01891	25.5
120.02605	48.6
121.04218	2.5
121.54301	3.5
122.04127	2.4
123.02052	3.9
124.99127	5.1
125.01799	26.3
126.02566	2.8
126.09125	2.1
127.03937	9.7
128.98637	10.1
129.03116	68.6
129.05539	4.2
131.00182	9.2
131.01813	9.0
131.53389	4.1
132.02574	6.4
133.06400	2.6
134.02330	23.0
134.99655	3.5
137.01825	3.8
138.02586	7.6
138.03654	7.3
139.03273	3.0
140.02318	10.8
140.53827	2.3
141.03110	17.1
142.03548	4.5
143.00189	11.7
143.01880	4.3
143.02873	3.8
144.02550	2.5
145.03394	4.5
146.02306	7.8
146.99663	6.7
147.03098	18.8
148.03871	3.8
149.01244	8.1
149.02867	2.6
150.03595	6.2
152.02328	3.2
153.03113	19.8
154.03865	8.9
155.00146	3.1
155.02873	6.5
156.03635	31.8
156.53816	2.3
157.03534	2.5
157.05008	3.5
158.99680	15.1
159.03156	6.3
161.01230	10.2
161.02786	14.1
162.03622	24.7
163.04425	8.1
165.04158	3.5
168.03650	7.7
169.04419	4.0
170.03400	8.4
170.53539	4.5
170.99667	3.5
171.04163	100.0
171.54364	8.0
173.01207	5.6
174.03455	2.8
175.04546	3.2
176.03433	6.2
177.00719	5.4
177.04178	15.2
179.02272	13.4
179.03966	4.9
183.04199	5.9
183.34950	2.3
185.01186	3.5
185.03978	4.6
186.03125	3.3
186.04675	22.6
189.00723	3.3
189.04172	10.8
191.02382	2.4
192.04721	7.1
197.03412	3.3
198.04698	24.1
203.02309	3.7
207.05223	89.9
207.55426	7.3
216.05756	92.7
216.07855	4.4
216.12299	5.6
216.14284	8.6
216.55986	4.2
217.06868	2.8
221.03290	18.1
224.06895	3.9
225.06351	2.0
239.04407	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0861
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
53.90794	0.5
54.14825	0.5
55.01660	0.5
55.01878	5.5
55.05513	9.4
55.38933	0.6
57.07056	0.6
59.05002	1.3
61.34304	0.6
67.05480	1.2
69.03430	1.0
69.07051	0.7
71.57537	0.8
79.05463	0.7
81.07034	1.0
83.04984	16.1
83.08629	0.7
85.06544	1.6
86.09718	0.9
87.04451	1.2
89.02411	1.0
89.06040	4.7
91.05460	2.7
93.07076	1.1
95.04939	0.9
99.04462	0.9
101.06020	7.9
103.05460	1.6
105.07040	2.4
107.08622	0.8
111.04443	29.2
113.06007	1.7
115.05460	2.3
117.06994	1.9
118.07774	0.8
119.08587	2.3
121.10194	0.7
127.07587	3.0
128.06232	16.7
129.05588	4.8
129.07007	47.9
130.07797	1.2
131.04938	5.0
131.08580	6.9
133.10106	1.4
137.05952	0.9
139.05437	1.6
141.06989	1.8
142.07758	0.7
143.04840	0.6
143.08548	4.1
144.05701	12.2
145.06485	4.9
145.10080	1.0
146.07256	6.5
146.11778	0.7
147.08101	0.8
155.07045	28.6
156.05690	9.7
157.06493	31.8
157.10101	1.5
158.07298	7.5
159.04424	4.5
159.08086	0.7
159.11673	1.0
160.05180	1.3
161.06012	0.7
161.09615	3.8
161.30751	0.6
167.04948	0.8
171.08035	4.7
172.03998	0.4
172.05179	18.1
173.06012	4.0
173.08104	27.6
173.13171	0.6
174.06770	56.0
175.07558	5.4
175.11266	0.6
184.05225	2.2
185.05962	7.0
187.07552	100.0
188.08156	1.8
189.09111	60.5
199.07559	9.5
199.09621	3.0
199.14876	1.4
201.05432	0.9
202.06276	4.0
213.87923	0.6
217.08612	72.7
217.10710	21.8
217.15683	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	217.0973
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
53.65798	0.2
55.01852	0.5
55.05512	5.3
56.96573	0.2
59.05003	0.5
63.12255	0.2
65.41902	0.2
67.05505	0.6
67.92462	0.3
69.03445	0.5
70.86808	0.3
70.87148	0.5
71.31974	0.2
73.02918	0.4
74.02447	5.1
79.05446	0.3
81.07067	0.4
83.04986	8.7
83.08607	0.4
85.06542	0.7
86.02453	0.3
86.09685	0.4
87.04472	0.9
89.02389	1.0
89.06039	1.9
91.05485	0.5
99.04461	0.4
99.60702	0.3
101.06014	3.9
103.05450	0.2
111.04449	14.3
113.06001	1.1
115.05427	0.4
117.07034	0.8
127.07571	1.6
127.08338	0.2
128.06233	0.7
128.44041	0.3
129.05502	2.7
129.06953	1.2
130.06538	1.2
131.41473	0.2
132.08127	1.3
137.05949	0.4
141.03192	0.3
143.07306	1.7
143.08452	0.4
144.08090	100.0
145.06558	0.3
145.08438	0.8
146.06090	0.3
147.04413	0.6
154.06490	0.6
155.07042	14.7
156.08115	0.6
157.06480	0.5
171.07913	0.4
171.09215	2.2
172.05003	0.3
173.08113	13.5
173.10735	1.4
174.06773	0.3
187.07582	1.1
188.07033	0.5
189.09079	0.8
199.07755	0.3
199.09659	1.5
217.05087	0.4
217.10637	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	217.1226
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
53.03944	7.0
54.34357	1.8
54.38441	2.3
55.01864	4.4
55.05264	3.3
55.05516	38.1
56.96559	2.1
59.05000	2.0
59.50469	1.8
65.03935	2.6
67.05514	10.3
69.03439	4.3
69.07075	4.5
70.27740	7.4
73.02926	3.3
79.05505	24.6
81.07069	33.7
83.04992	50.2
83.08621	2.7
85.06524	2.8
87.04454	5.5
89.02373	2.4
89.06039	14.1
91.05490	39.4
93.07052	35.2
95.04974	6.5
95.08584	7.2
97.06525	5.6
99.04452	3.7
101.06031	21.8
103.05457	4.0
105.06402	2.6
105.07046	35.7
107.05006	2.5
107.08603	9.2
109.06485	3.2
109.10185	3.4
111.04453	92.8
113.06001	6.7
114.54293	1.9
115.05425	7.5
116.06259	4.7
117.07024	31.2
118.07810	14.5
119.04950	3.2
119.08595	43.0
121.06529	2.7
121.10129	2.8
125.05981	3.1
127.07514	8.9
128.06236	22.3
129.05521	12.2
129.07013	30.0
130.07780	6.1
131.08582	55.3
133.06508	2.8
133.10147	7.4
135.11667	2.3
137.05968	6.6
141.06984	13.8
142.07790	21.0
143.08577	69.3
144.09276	2.8
145.06471	3.0
145.10141	40.9
146.07338	1.9
147.08038	6.6
147.11711	5.5
149.05942	5.5
155.07053	88.0
155.08371	5.1
156.09366	34.8
157.06471	5.6
157.10141	31.7
158.07277	2.8
158.10901	3.1
159.08072	2.5
159.11708	5.2
161.06030	3.8
161.09686	3.3
161.13252	5.4
163.07367	2.4
166.07895	3.2
169.10106	2.0
171.08066	7.4
171.11703	100.0
173.08121	71.8
173.09474	2.5
173.13246	17.5
174.06761	3.0
174.83125	1.8
175.07530	8.1
175.11234	2.9
181.10136	3.5
184.08829	5.6
189.09113	8.3
189.12833	10.0
199.09627	5.4
199.11208	28.8
199.14857	4.3
217.08434	4.0
217.08784	4.7
217.10655	51.1
217.12289	69.1
217.15829	10.3
217.19414	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	217.1225
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
53.03941	6.1
55.01870	3.8
55.05504	8.7
67.05505	7.3
69.07071	3.9
69.74937	7.7
69.75346	5.0
71.19318	1.9
73.02917	2.7
77.03944	2.1
79.05507	31.3
81.07070	36.1
83.04977	10.1
90.88387	2.1
91.05486	36.8
93.07054	36.8
95.04988	4.7
95.08624	2.3
97.06538	5.6
97.88729	2.1
99.04490	3.8
101.06047	4.1
103.05521	3.6
104.43304	2.2
105.04572	2.6
105.07053	30.7
107.04949	3.2
107.08610	4.7
109.06548	2.9
111.04464	19.9
115.05453	10.9
116.06213	4.2
117.07030	37.4
118.07828	17.3
119.04999	2.9
119.08593	41.9
121.06525	8.7
125.05995	3.4
128.06245	23.5
129.05554	2.6
129.07025	35.4
130.07829	7.1
131.08572	61.7
131.09514	3.5
132.09377	2.5
133.10150	4.9
133.13292	2.2
137.05965	6.9
141.06969	9.9
142.07809	25.7
143.08577	68.3
144.09328	3.2
145.06499	4.2
145.10141	38.8
147.08096	7.0
149.06027	3.6
155.07060	16.1
155.08353	3.4
156.09380	34.8
157.06526	6.0
157.10141	32.9
158.10973	3.7
159.08115	2.3
161.13199	3.1
165.06969	2.4
166.07773	2.3
171.08093	5.0
171.11710	100.0
172.12463	4.4
173.08119	13.4
173.13309	18.2
174.06709	2.4
175.07570	9.1
175.11339	2.4
181.10197	5.0
184.08864	6.4
189.09152	4.5
189.12807	8.8
199.11203	29.7
217.10806	5.7
217.12314	89.3
217.15717	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	217.1589
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03927	1.3
55.01861	2.1
55.05516	12.3
57.07084	0.7
59.04987	1.7
67.05496	5.5
69.03416	2.4
69.07075	7.8
69.40349	1.3
69.40760	3.8
71.04979	0.9
73.02908	0.8
79.05486	4.9
81.07064	16.0
83.04984	18.4
83.08611	1.6
85.06557	1.2
87.04475	1.6
89.02374	1.2
89.06042	3.6
91.05489	15.1
93.06482	0.8
93.07046	12.6
95.04974	1.7
95.08611	9.7
97.06516	1.3
97.10136	0.7
99.04444	1.4
101.06029	6.5
103.05510	0.9
105.07036	23.0
107.08579	9.5
109.06518	2.3
109.10165	7.0
111.04449	26.5
111.08084	1.1
113.05985	2.0
115.05437	1.4
117.07018	5.7
119.04932	1.0
119.08589	30.6
121.06482	1.2
121.10143	4.1
123.08057	2.3
125.09631	1.3
127.07545	2.9
128.06233	4.7
129.05515	3.6
129.07002	9.0
130.07776	0.8
131.08585	8.8
133.06516	1.1
133.10143	16.4
135.08072	1.2
135.11720	0.9
137.06018	1.0
137.09618	6.9
141.07024	0.9
142.07784	3.6
143.08582	14.0
144.05638	0.7
144.09264	1.0
145.06496	1.4
145.10136	8.5
147.08040	10.9
147.11713	5.3
149.09579	0.7
155.07043	26.8
156.05721	4.7
156.09340	3.2
157.06479	3.4
157.10136	11.0
159.08092	1.1
159.11714	9.4
161.06003	0.9
161.09639	18.4
161.13264	2.4
169.10060	0.9
171.07922	0.8
171.11713	6.9
172.05215	1.2
173.08118	24.1
173.13255	4.0
174.06741	2.4
174.10402	3.3
175.11201	4.8
175.14819	4.7
184.05283	0.8
184.12485	1.0
185.05962	1.0
187.07535	4.4
189.09140	3.3
189.12766	1.7
189.16371	4.5
199.07635	1.5
199.09651	2.2
199.14833	18.7
202.06268	1.3
217.05112	1.0
217.08600	10.2
217.10725	18.1
217.15889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
55.01865	1.5
55.05261	1.3
55.05512	15.0
59.04998	2.0
67.05508	6.7
69.03440	1.8
69.07073	8.5
79.05522	5.2
81.07063	16.4
83.04485	2.0
83.04987	39.8
83.08633	1.2
85.06546	2.1
87.04463	2.4
89.02410	1.8
89.06042	5.6
91.05486	14.0
93.07043	16.3
95.04970	1.7
95.08608	11.9
97.06529	1.2
99.04484	1.5
101.06004	8.8
102.26348	1.0
105.06396	1.6
105.07043	22.3
107.08605	11.9
109.06499	1.3
109.10170	8.4
111.04451	33.7
111.08098	2.2
113.05992	2.0
117.07003	4.9
119.08593	35.7
121.06554	2.0
121.10156	6.1
123.08038	2.6
125.09656	1.4
127.07546	4.0
128.06215	4.9
129.05519	7.2
129.07004	11.5
131.04875	1.1
131.08557	4.8
133.10135	18.8
137.09624	6.2
142.07765	2.9
143.08559	10.2
145.06522	1.1
145.10083	3.3
147.08070	12.9
147.11700	6.5
148.08795	1.3
149.09676	1.5
150.07854	1.3
151.11156	1.1
155.07039	42.0
156.09262	1.4
157.06450	3.0
157.10106	8.8
158.07224	1.2
159.11742	6.3
161.01715	1.1
161.09630	25.8
161.13286	5.6
171.08110	1.6
171.11777	1.5
172.05196	1.9
173.08112	30.8
173.13292	1.7
174.06787	5.9
174.10359	2.3
175.11205	4.1
175.14821	6.0
185.05956	1.3
187.07547	6.3
189.09148	6.7
189.12862	1.4
189.16360	3.6
199.09685	2.4
199.11580	1.0
199.14832	16.2
217.08614	12.7
217.10680	28.7
217.15891	100.0
217.19470	5.8
228.76448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
52.85609	0.5
53.03937	1.4
55.01879	1.6
55.05262	1.0
55.05513	14.9
57.07069	0.8
59.04998	2.3
65.03941	0.9
65.82374	0.6
67.05504	6.9
69.03419	2.0
69.07076	7.0
69.54419	2.8
69.54848	1.3
71.04992	1.1
73.02886	0.8
74.68786	0.5
79.05498	5.5
81.03405	0.6
81.07062	17.1
83.04984	26.7
83.08618	1.3
85.06536	1.6
87.04475	1.6
89.02388	1.3
89.06042	4.9
91.05480	15.3
93.07047	14.9
94.94124	0.6
95.04936	1.4
95.08607	10.8
97.06516	2.5
99.04431	1.1
101.06016	8.4
103.05454	1.4
104.06234	0.7
105.07034	24.1
107.04933	0.9
107.08599	10.0
109.06527	2.1
109.10162	5.9
111.04444	35.1
111.08089	0.8
113.05994	2.4
115.05463	1.8
117.07027	6.2
119.04951	1.4
119.08585	31.1
121.06503	1.6
121.10142	4.1
123.08086	3.6
123.11657	0.8
125.09618	1.5
127.07555	3.1
128.06224	7.3
129.05513	4.6
129.07005	10.8
130.07771	0.6
130.54965	0.6
131.08565	9.9
133.10135	13.3
135.08060	1.4
135.11700	0.9
136.87634	0.6
137.05978	0.9
137.09634	6.5
141.06952	1.1
142.07828	3.2
143.08562	14.2
144.05690	1.1
144.09338	1.0
145.06490	0.8
145.10110	7.2
146.07228	0.8
147.08058	12.2
147.11682	5.4
148.08864	0.6
149.09634	1.2
151.11221	0.8
155.07042	36.2
156.05687	5.5
156.09315	4.7
157.06503	3.6
157.10139	11.0
158.07333	1.0
158.10808	0.8
159.08061	1.6
159.11684	8.0
161.09627	19.6
161.13258	2.8
171.07896	0.6
171.11714	9.0
172.05200	1.6
173.08104	31.5
173.13254	3.9
174.06796	3.5
174.10431	3.3
175.07594	0.7
175.11180	6.3
175.14803	3.7
184.05119	0.8
185.05983	1.1
187.07559	4.7
189.09128	4.9
189.12755	2.3
189.16403	6.4
199.07741	1.0
199.09631	3.0
199.11259	2.3
199.14836	17.5
202.06331	1.6
217.04996	2.0
217.08612	12.7
217.10718	25.1
217.15881	100.0
218.16135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
51.02368	0.8
55.01868	1.6
55.05516	13.3
55.84105	0.7
57.07073	0.8
59.04989	2.2
67.05503	5.8
69.03423	2.6
69.07071	7.6
69.41074	4.2
71.05009	1.2
79.05495	6.1
80.06289	0.8
81.07057	16.5
83.04987	22.8
83.08588	1.2
85.06563	1.1
87.04456	0.9
89.02422	1.1
89.06039	4.3
91.05486	14.9
91.06013	1.3
93.06474	1.2
93.07048	17.1
94.07798	0.8
95.04947	2.0
95.08610	13.3
97.06532	2.4
99.04469	1.3
101.06020	7.3
103.05474	1.0
105.07036	25.4
107.08599	9.7
108.07180	0.6
109.06534	3.4
109.10184	6.7
111.04449	26.9
111.05217	1.4
111.08083	1.3
113.06004	1.9
115.05431	1.5
117.07032	6.8
119.04919	1.6
119.08588	33.4
121.06491	1.2
121.10139	6.1
123.08076	2.4
125.09608	1.2
127.07544	2.5
128.06224	6.0
129.05516	3.7
129.07008	9.9
131.08568	8.8
133.02832	0.7
133.06487	1.0
133.10135	16.1
135.08095	1.5
135.11685	0.8
137.09628	6.5
141.07010	0.7
142.07770	3.6
143.08560	14.0
144.05649	0.9
144.09358	0.8
145.10104	7.2
147.08046	13.1
147.11696	6.2
149.09616	1.4
151.11136	1.2
155.07047	28.9
156.05681	4.9
156.09390	3.8
157.06500	2.7
157.10143	12.1
159.08063	1.5
159.11713	9.9
161.09631	23.8
161.13289	2.6
171.11691	8.1
172.05196	1.3
173.08109	22.3
173.13252	3.9
174.06784	2.6
174.10374	3.3
175.11188	5.8
175.14859	3.8
185.05898	0.9
187.07596	3.6
189.09123	3.6
189.12746	2.2
189.16379	5.9
199.07657	1.1
199.09657	2.8
199.11359	1.0
199.14824	17.4
202.06302	1.4
211.36098	0.8
217.05070	2.5
217.08607	11.0
217.10718	17.4
217.15886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
52.87107	2.3
55.05515	36.9
57.07050	3.4
59.04998	2.9
66.88112	2.3
67.05513	26.5
69.06760	2.4
69.07073	22.8
75.82991	2.1
79.05473	9.6
81.07061	32.7
83.04988	38.2
83.07135	2.2
83.08623	6.9
85.06533	4.1
87.04473	3.6
89.06007	10.5
91.05491	16.4
93.07051	19.7
94.20984	2.2
95.08054	4.5
95.08612	58.4
97.10201	4.0
101.06018	21.1
105.07034	55.2
107.08604	39.6
109.10155	57.3
111.04451	64.1
113.05972	3.7
117.07050	2.9
119.08585	68.0
121.10155	32.6
123.11718	28.7
127.07549	7.6
128.06223	3.2
129.05510	14.3
129.07011	13.7
131.08553	5.0
133.10138	39.3
135.11693	12.0
137.13307	3.2
143.08598	4.7
145.10156	2.7
147.06448	3.0
147.11693	48.9
155.05777	4.8
155.07037	81.8
157.06477	9.4
157.10136	3.7
159.11749	4.2
161.09676	3.4
161.13261	39.5
173.08113	67.8
173.13284	3.5
174.06799	7.6
175.07539	3.1
175.14854	21.6
187.07520	8.0
189.09125	7.1
189.16412	6.0
199.09705	6.0
199.14835	5.0
217.08585	18.5
217.10669	77.6
217.16075	22.0
217.19525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03927	1.6
54.09379	0.7
55.05269	0.9
55.05511	16.0
57.07074	1.6
59.04984	1.1
65.03937	1.4
67.05173	1.3
67.05502	16.2
69.03406	0.9
69.07067	11.5
72.65517	0.8
73.02918	1.2
74.43391	0.8
75.63422	0.8
77.03913	1.0
79.05502	6.6
81.07057	26.4
83.04985	16.7
83.08620	6.2
87.04454	2.0
89.02380	1.9
89.06020	3.8
91.05482	8.6
93.07043	17.5
95.04935	1.2
95.08604	39.5
97.10154	2.0
98.21485	2.4
99.04462	1.0
101.06009	6.8
105.07027	31.2
107.08595	33.1
109.10154	42.9
111.03706	1.8
111.04438	27.4
113.05988	2.0
117.07009	0.9
119.08578	32.8
121.10141	25.2
123.11708	16.9
124.79211	0.8
127.07560	4.1
127.09467	0.9
129.05463	4.7
131.08572	1.7
133.09116	1.6
133.10127	26.0
135.11667	8.8
137.13278	3.1
139.82355	0.8
145.10091	1.2
147.11685	30.6
148.71678	0.9
149.13235	3.7
150.48438	0.8
155.07039	30.5
157.10089	1.0
159.11649	1.3
161.13252	39.5
161.14604	1.9
173.08095	24.4
173.13237	0.8
175.14813	9.8
189.16441	5.8
199.09737	1.8
199.11499	1.1
214.46573	0.9
217.08662	1.0
217.10672	23.2
217.12703	1.9
217.19513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03926	1.1
55.05263	1.0
55.05511	13.4
57.07064	2.0
65.15733	0.9
67.05183	1.1
67.05506	13.6
69.06731	1.0
69.07072	14.6
69.42321	6.7
79.05497	5.8
81.06582	1.4
81.07059	24.6
83.04985	10.7
83.08615	4.7
89.02370	1.1
89.06011	3.5
91.05486	7.2
93.07046	16.6
95.08609	39.1
96.21024	0.7
97.10138	1.3
101.06011	4.4
105.07034	28.8
106.67412	0.9
107.08604	27.7
109.10157	38.4
111.04435	21.4
113.06030	1.5
119.08586	33.2
121.10147	27.4
123.10824	1.1
123.11720	15.8
127.07530	2.5
129.05467	3.4
129.06995	0.9
131.08546	1.5
133.10141	23.7
135.11697	9.0
137.13257	2.6
145.10179	0.8
147.11694	31.3
149.13257	3.7
155.05769	1.1
155.07033	22.9
156.05751	1.0
159.11687	1.2
161.13268	39.1
173.06764	0.7
173.08109	16.7
173.13190	1.1
175.14857	12.0
187.07549	2.0
189.16367	4.5
199.09610	1.7
202.06281	0.8
217.08627	3.1
217.10634	16.8
217.15999	2.5
217.19514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1953
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
55.05518	15.8
57.07051	2.5
59.05003	2.2
60.26662	1.6
67.05508	18.9
69.07073	14.4
69.37340	13.4
75.54910	1.7
79.05497	7.2
81.07061	23.6
83.04989	16.7
83.08626	3.6
89.06028	3.4
91.05490	10.1
93.07047	14.0
93.34528	1.4
95.08614	37.0
97.10161	3.6
101.06004	7.3
105.07038	33.2
105.07731	1.7
107.08606	27.0
109.10159	37.9
111.04455	29.0
113.05991	1.9
113.25638	1.5
117.07086	2.4
119.08586	33.4
121.10151	22.6
123.11745	10.7
127.07597	2.1
129.05476	6.6
131.08543	1.6
133.10141	29.3
135.11674	8.7
145.10100	2.9
147.11696	41.5
149.13301	3.0
155.05772	2.4
155.07025	29.1
155.08217	2.0
159.11688	2.9
161.13272	34.1
173.08119	26.2
173.13313	2.1
175.14830	11.6
189.16405	5.0
199.09715	3.1
199.11449	3.1
217.08636	2.8
217.10640	32.6
217.12531	1.7
217.16078	2.7
217.19542	100.0
219.30367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1954
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
50.84110	0.6
51.02384	0.6
53.03953	1.5
55.05260	1.1
55.05515	18.6
57.03440	0.8
57.07090	2.9
59.04998	1.7
65.03926	0.8
67.05513	18.6
69.03434	0.9
69.07074	21.9
70.08132	1.0
70.08548	2.1
71.08643	0.9
71.56424	0.5
73.02919	1.9
79.05502	11.4
81.07065	47.7
83.04477	1.0
83.04990	18.9
83.08623	8.1
85.06540	1.4
87.04452	0.6
89.02423	1.2
89.06047	5.2
91.05486	17.5
93.07053	19.4
95.04960	1.3
95.08616	40.2
97.10172	2.8
98.21321	1.1
98.97566	1.1
99.04439	0.9
101.06027	7.1
103.05480	0.7
105.07039	51.3
107.08602	30.7
109.06496	1.1
109.10165	42.7
111.04455	29.8
113.06001	2.6
115.05467	0.7
116.98629	0.6
117.07043	5.2
118.07804	2.0
119.08591	43.3
121.06487	1.8
121.10155	21.8
121.11026	1.2
123.11732	16.7
127.07553	4.1
128.06233	2.7
129.05534	4.1
129.07022	4.9
130.07785	1.8
131.08566	10.3
132.09418	0.8
133.10141	27.6
135.11707	11.6
137.05948	0.9
137.13277	2.5
141.06931	1.2
142.07784	3.7
143.08568	11.2
144.09383	1.0
145.10147	8.7
146.10936	0.9
147.11700	40.8
149.13275	3.6
155.07045	36.5
156.09360	6.7
157.06488	1.1
157.10141	5.8
158.99594	0.7
159.08092	0.7
159.11722	3.9
160.12526	0.6
161.06013	1.0
161.09608	1.3
161.13261	47.4
162.13676	0.7
171.08066	1.4
171.11716	11.9
173.08119	26.6
173.13248	2.4
175.07614	1.2
175.11221	0.7
175.14844	11.1
181.10127	0.8
184.08891	0.9
185.03793	1.2
189.09142	1.2
189.12680	1.6
189.16434	4.4
194.04456	0.8
198.81732	0.6
199.09656	2.5
199.11249	4.6
199.14830	1.1
217.10706	22.7
217.12395	8.6
217.16011	2.9
217.19534	100.0
218.19830	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26588	0.5
55.05531	0.4
56.96569	1.8
58.99857	0.8
67.05501	0.5
69.03426	0.4
69.07063	0.6
70.92542	1.0
71.95263	0.7
75.04466	0.4
77.00898	1.2
79.05497	0.5
81.03438	0.5
81.07059	0.5
82.01451	1.0
82.99448	0.4
82.99815	1.8
83.04984	1.2
85.01407	0.8
88.42533	0.4
91.05434	0.4
97.01412	0.6
98.97593	29.0
99.97922	0.6
100.02502	2.3
101.00890	16.4
101.01566	0.8
103.00650	0.6
103.02443	1.7
104.33520	0.4
105.07033	0.6
107.08589	0.5
111.02937	0.9
113.00805	0.4
115.02435	9.3
116.98631	15.3
118.03513	0.8
119.01933	28.4
119.08609	0.5
121.01656	1.5
121.10142	0.8
127.02409	0.7
129.03990	5.2
131.01923	1.4
133.03477	21.6
133.10127	1.0
134.99669	6.5
135.03183	0.6
137.00790	0.5
137.02972	3.6
137.05968	1.9
140.00215	0.4
141.03947	1.0
142.03525	0.4
143.01903	8.1
145.03520	2.4
147.05067	3.4
151.04581	1.7
151.07550	1.3
152.05641	0.9
153.00737	0.9
153.03943	2.7
155.01923	4.6
156.05083	0.6
157.03461	1.1
158.99828	1.6
159.03163	1.0
159.05043	4.0
160.04456	0.4
161.02977	16.8
163.02635	0.5
168.01472	0.5
168.05069	1.0
170.06627	1.2
171.05043	28.3
173.01385	0.9
173.02971	17.2
173.04517	0.8
173.06613	1.3
174.06866	0.4
175.04561	2.8
177.00853	7.5
177.04286	1.6
177.05923	1.9
178.03548	1.5
179.03943	0.5
182.99948	0.6
183.04912	0.8
189.06108	12.7
191.04024	2.4
191.07678	1.6
195.01759	1.9
195.05225	0.7
195.07188	1.6
196.02791	0.8
196.04573	13.2
196.08234	1.5
201.00932	1.8
201.02522	1.5
201.06131	1.5
203.14313	2.6
214.05597	0.7
214.09311	1.0
219.02011	24.2
219.07156	100.0
219.17450	11.6
220.02194	1.2
220.07230	1.9
225.59030	0.4
236.98730	0.7
237.08272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.28033	0.8
50.92408	0.7
51.69245	0.8
52.02329	0.8
55.05508	1.8
56.96329	1.0
56.96572	10.9
57.03435	1.1
63.43775	0.8
67.05504	2.8
68.26864	0.9
69.07056	2.2
73.07299	0.8
78.64680	0.7
79.05502	2.0
81.07072	4.8
91.05485	8.4
93.07027	2.9
95.08603	2.9
98.20686	2.0
103.05457	2.6
105.07030	4.4
107.08595	2.5
109.06558	1.3
109.10159	1.9
115.05450	6.7
116.06238	1.1
117.07025	2.6
119.08585	5.2
121.06470	1.6
121.10128	3.5
128.06168	7.1
129.07007	30.1
130.07837	1.6
131.04944	6.1
131.08580	27.7
133.10103	2.7
135.08063	2.2
135.11661	2.0
136.59615	0.8
136.92125	3.5
136.93068	1.5
137.05988	3.0
141.07001	23.9
142.07800	1.3
143.04944	1.4
143.08549	2.3
144.05705	4.4
145.06458	4.5
145.10135	3.3
146.07257	4.0
147.11746	1.2
148.05130	0.9
151.07492	1.2
154.93213	7.1
154.94281	1.3
155.06050	1.6
157.06487	18.6
158.06085	1.5
158.07286	15.0
159.04448	2.5
159.08064	19.7
159.11699	2.4
160.05211	5.1
161.09627	2.8
161.13251	2.9
163.07524	2.0
163.11113	1.2
169.06473	11.3
169.07628	1.5
170.07237	5.7
172.94238	15.7
173.05951	4.1
173.09608	1.5
173.13255	1.2
174.06769	59.0
175.07520	9.4
175.14752	2.3
177.16331	1.4
186.06758	12.7
188.08282	1.8
189.09119	72.2
190.95303	13.4
191.10674	6.3
191.18007	1.4
195.95822	5.5
201.07285	1.8
201.09116	29.6
201.16371	3.1
203.14304	11.0
213.96939	6.4
219.06747	3.4
219.10165	100.0
219.13744	2.6
219.17430	48.0
220.10573	1.1
236.98482	1.1
237.95750	0.9
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
55.05495	0.9
56.96564	9.3
57.03439	1.2
57.07073	1.2
64.42847	0.8
67.05486	2.2
69.07053	1.1
69.52914	5.5
79.05507	1.6
81.07044	3.8
91.05479	8.8
93.07033	2.7
95.04980	0.8
95.08611	2.8
97.06496	1.2
103.05489	2.1
105.07032	3.9
105.08456	0.9
107.08598	2.5
109.10155	2.3
115.05466	6.4
116.06259	1.8
116.31083	0.8
116.94901	0.8
117.07008	2.7
119.08559	3.8
121.10149	3.3
123.11675	1.7
128.06233	5.3
129.07011	29.5
130.07802	1.6
131.04927	6.3
131.08569	28.6
133.06479	1.0
133.10123	3.2
135.11685	1.2
136.92143	2.7
136.93083	1.1
137.05977	4.1
141.06999	24.7
143.04922	1.2
143.08522	2.4
144.05736	4.9
145.06453	4.9
145.10124	3.3
146.07254	3.4
148.05203	1.1
149.05989	0.9
154.75320	0.8
154.93207	8.1
157.06488	16.4
158.07289	14.1
159.04404	2.9
159.08049	21.0
159.11679	1.8
160.05127	3.9
161.05974	1.2
161.09592	3.2
161.13261	1.6
163.07512	2.3
163.11174	1.2
169.06468	11.8
169.07727	1.0
170.07277	4.8
172.94240	12.4
173.06006	3.5
174.06773	62.6
175.07503	9.0
177.94839	1.0
185.06062	0.8
185.84854	0.8
186.06787	14.1
187.07587	2.1
188.08315	2.7
189.09111	78.1
190.95320	10.0
191.06985	1.4
191.10699	6.0
191.17848	1.0
195.95880	4.9
201.07283	1.7
201.09105	31.0
201.16389	2.5
203.14313	8.4
213.96910	4.5
219.10165	100.0
219.17438	33.4
219.20938	1.4
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
55.05492	1.1
56.96545	4.4
57.07076	1.2
58.06593	1.1
59.52360	1.0
67.05494	3.1
69.07057	3.9
70.82175	1.3
70.82488	1.5
71.04980	2.0
79.05465	3.8
81.07043	4.2
91.05048	0.9
91.05479	10.1
92.81762	1.0
93.07039	8.1
95.04963	1.3
95.08588	3.3
103.05424	1.8
105.07018	6.5
107.04915	1.1
107.08571	3.5
109.06503	1.0
109.10131	2.5
115.05454	8.4
116.06229	1.8
117.07015	4.4
119.08567	6.7
121.10143	8.1
125.09660	1.0
128.06248	6.2
129.07005	30.3
130.07773	2.5
131.04906	5.7
131.08566	30.1
133.10117	4.5
135.11685	2.9
137.05931	4.2
138.52234	1.0
140.45316	1.1
141.06993	26.3
143.08539	2.0
144.05670	4.0
145.06554	5.1
145.10114	3.9
146.07281	3.9
147.08104	1.1
147.11617	1.1
149.09642	1.6
153.07004	1.3
154.93245	3.1
154.94412	1.1
157.06508	17.2
158.07278	17.6
159.04395	2.8
159.08055	21.2
159.11681	3.3
160.05179	4.3
161.09595	3.5
161.13203	2.1
163.07521	1.4
169.06442	11.3
169.07625	1.2
170.07327	5.6
171.08084	1.2
172.94237	6.1
173.05960	4.6
173.13271	2.8
174.06760	57.1
175.07520	7.9
177.09087	1.7
186.06770	13.4
187.07513	1.7
188.08292	3.3
189.09106	82.0
190.95274	5.6
191.10651	6.3
195.95844	2.2
201.09106	32.1
201.12903	1.0
201.16298	5.0
203.14333	11.2
213.96944	2.3
219.06776	2.8
219.10150	100.0
219.13742	4.4
219.17436	53.9
219.20967	2.1
220.10475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.59609	0.6
56.96553	1.8
57.03442	0.7
59.04997	1.0
59.44100	0.7
60.56193	0.6
67.05492	0.8
69.31766	5.8
70.98115	1.2
79.05502	0.6
80.34366	0.6
81.25068	0.6
85.06528	2.1
91.05487	7.9
95.04963	1.0
100.76418	0.6
103.05454	2.6
104.24134	0.6
105.07024	1.6
115.05459	6.6
116.06236	1.8
117.07011	2.1
128.06215	6.6
129.07016	31.1
130.07782	2.2
131.04965	5.3
131.08580	28.6
137.05991	3.1
141.06999	25.0
141.08104	0.8
143.04945	1.5
143.08556	1.3
144.05733	5.4
145.06479	5.4
146.07248	4.5
148.05167	1.0
151.07558	0.8
155.06033	1.6
156.05750	0.9
157.06503	17.1
158.07285	16.6
158.99719	0.8
159.03146	0.9
159.04453	2.7
159.08064	22.9
160.05214	4.4
161.05969	0.9
161.09631	2.6
163.07573	1.5
169.06465	12.7
169.07585	1.0
170.07300	5.2
171.08023	0.9
173.05997	3.6
174.06784	58.0
175.07562	8.3
176.08365	0.7
177.00677	0.7
181.78595	0.6
185.06049	1.5
186.06783	16.3
187.07492	1.4
188.08322	2.7
189.09125	79.6
191.07027	1.5
191.10689	6.3
196.37613	0.6
201.09117	33.2
203.02310	0.9
219.10185	100.0
220.10529	1.3
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
57.03434	0.9
61.71238	0.7
61.75092	0.8
63.18174	0.8
67.05492	1.4
69.53289	5.7
71.05005	1.2
72.19695	0.8
79.05495	0.9
81.07043	2.0
86.75777	0.7
91.05489	8.6
93.07028	1.2
98.20829	1.7
99.33718	0.8
101.25665	0.9
101.74693	0.8
103.05473	2.3
105.07030	3.8
107.08601	0.9
115.05455	6.9
116.06229	2.6
117.07012	1.9
119.08602	1.4
125.09666	1.1
128.06245	6.6
129.07013	33.3
130.07780	1.7
131.04933	5.5
131.08578	32.4
133.10136	5.6
137.05971	3.5
141.06995	28.4
141.08119	1.1
143.04950	1.9
143.08521	1.0
144.05705	5.3
145.06480	3.5
145.10190	1.3
146.07243	3.7
154.99361	0.9
155.06010	1.0
157.06491	16.7
158.07277	16.6
159.04428	2.5
159.08057	22.8
159.11688	1.5
160.05243	2.5
161.09627	2.2
163.07590	1.3
169.06479	10.4
169.07722	0.9
170.07230	5.6
173.05998	3.7
173.09564	1.0
174.06775	60.4
175.07573	9.0
186.06776	13.4
187.07629	1.1
188.08305	2.0
189.09114	73.8
191.10646	6.5
201.09119	32.6
201.10617	0.5
219.10175	100.0
219.17389	4.6
220.10472	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05506	0.6
57.03435	0.9
57.38113	0.6
57.99240	0.6
61.63535	0.5
67.05494	1.4
70.86259	1.5
71.04987	0.7
79.45316	0.5
81.07063	1.4
84.74394	0.6
91.05476	8.7
93.07018	1.1
95.08601	0.7
103.05463	2.4
105.07038	3.0
107.08576	1.0
109.10155	1.2
115.05448	7.5
116.06232	2.5
117.07020	2.4
119.08590	1.6
121.10156	1.9
128.06219	6.9
129.06015	1.1
129.07008	28.9
130.07799	2.0
131.04930	6.5
131.08572	29.5
133.10135	4.1
136.74199	0.7
137.05997	2.0
141.06995	27.1
143.04922	1.9
143.08551	1.6
144.05717	4.3
145.06494	5.3
145.10127	1.8
146.07222	4.4
147.11676	0.9
148.05157	0.7
153.06998	0.7
155.06079	0.8
157.06506	15.5
157.10016	0.6
158.07280	15.0
159.04402	2.5
159.08064	21.3
159.11665	1.1
160.05171	3.8
161.09636	2.8
161.13275	1.0
163.07520	1.3
168.05756	1.3
169.06470	11.2
169.07687	0.9
170.07272	5.6
171.04526	0.7
171.08084	1.1
173.06000	4.2
173.09616	0.8
174.06772	62.3
175.07553	7.9
176.08380	0.7
186.06776	14.8
187.07529	1.3
188.08273	4.0
189.09116	79.2
190.09579	0.7
191.07036	1.7
191.10663	6.0
201.05458	2.1
201.09113	34.6
201.16451	1.4
219.10175	100.0
219.17349	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.40151	0.6
53.38935	0.7
79.05512	0.6
80.75974	0.7
81.07048	1.3
91.05482	8.4
93.07041	0.6
103.05460	2.1
105.07017	2.2
107.08633	1.1
115.05450	7.1
116.06228	2.3
117.07000	2.5
119.08594	1.5
121.10098	0.7
128.06219	6.9
129.07008	32.2
130.07780	2.1
131.04932	5.7
131.08574	28.4
133.10132	1.9
137.05989	3.0
141.06992	26.8
141.08119	1.0
143.04927	1.4
143.08571	1.2
144.05704	3.3
145.06502	4.4
145.10126	2.0
146.07256	4.4
147.08041	0.8
148.05119	0.9
148.48431	0.6
149.05972	0.8
152.21138	0.6
155.06020	1.4
157.06499	20.4
158.07281	17.0
159.04408	3.0
159.08055	20.6
159.11703	1.4
160.05177	5.2
161.05946	1.3
161.09641	4.1
161.13254	1.5
163.07521	1.3
169.06476	12.1
169.07674	0.8
169.88129	0.7
170.07266	6.7
171.04405	0.8
171.08031	1.2
173.06006	4.3
173.09499	1.1
174.06770	60.8
175.07571	9.1
186.06754	12.5
187.07529	1.8
188.08337	3.6
189.09111	76.7
190.09505	0.8
191.06979	1.6
191.10655	5.7
201.09117	33.4
201.16310	1.1
203.14317	0.8
219.10168	100.0
219.17378	4.3
220.10567	1.2
228.14365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71359	0.7
54.38505	0.6
57.03432	1.0
67.05503	1.3
69.66653	3.0
69.67079	1.3
71.04990	1.0
91.05480	7.1
93.07040	1.1
103.05455	2.2
105.07037	3.7
112.75507	0.7
115.05445	6.2
116.06222	2.5
116.42799	0.6
117.07007	1.5
118.07793	0.8
119.08651	1.2
121.10149	0.8
128.06219	5.7
129.07011	29.2
130.07736	1.2
131.04889	5.0
131.08574	29.4
132.08875	0.7
133.10095	5.0
137.05974	2.6
141.06993	24.9
143.04880	1.5
143.08554	0.8
144.05728	3.3
145.06497	4.1
145.10156	1.1
146.07291	3.2
155.06113	0.9
157.06500	17.5
158.07272	14.4
159.04448	2.2
159.08057	21.2
159.11699	1.2
160.05188	3.9
161.06035	1.3
161.09610	2.7
163.07594	1.3
168.05618	1.0
169.06473	9.6
169.07678	1.1
170.07251	4.9
173.06094	3.2
174.06775	57.7
175.07535	9.3
186.06761	13.6
187.07510	2.2
188.08344	2.7
189.09111	76.0
190.09544	1.2
191.06944	1.1
191.10645	6.6
201.09113	30.8
201.16425	1.5
219.10170	100.0
219.17276	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	219.1383
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03949	3.2
55.01855	2.4
55.05519	10.6
56.96563	5.2
57.03434	5.5
57.07083	1.8
65.03960	1.6
67.05514	11.2
68.92970	1.3
69.03427	4.0
69.07060	5.5
71.04980	3.2
71.22542	1.3
71.57034	1.9
79.05502	15.7
81.03426	2.1
81.07065	43.3
82.14132	1.2
83.04964	2.1
83.08610	3.5
85.02890	1.8
85.06551	100.0
87.89381	1.2
89.17933	1.3
91.05485	26.7
93.07053	37.0
95.04967	7.4
95.08611	26.3
97.02889	1.4
97.06538	6.1
98.97591	8.1
99.08096	12.4
103.05490	3.9
105.04477	1.4
105.07042	41.4
107.04951	9.9
107.08593	16.0
109.06532	5.2
109.10145	6.2
111.04447	2.9
111.08081	5.6
115.05447	5.7
116.06248	2.5
116.98660	2.6
117.07020	15.7
119.04955	6.6
119.08591	25.5
119.20712	1.2
121.06522	40.8
121.10145	10.5
123.08148	1.7
125.05981	4.7
125.09634	5.0
128.06226	4.8
129.07014	16.4
130.07771	3.2
131.04932	3.0
131.08572	47.2
133.06520	1.8
133.10138	21.9
135.08084	6.9
135.11719	5.0
137.05998	6.4
139.07512	1.9
141.07018	11.1
142.07790	4.2
143.08585	9.8
144.05698	3.9
144.09337	4.8
145.06502	13.0
145.10150	37.6
146.07291	1.9
147.08055	6.0
147.11697	5.8
149.05963	4.2
149.09558	1.8
154.93210	2.5
155.08588	5.9
157.06476	4.4
157.10159	9.9
158.07292	8.2
158.10947	2.6
159.08098	23.5
159.11699	31.2
160.08824	3.9
161.09653	5.0
161.13283	5.9
162.10338	1.4
163.07599	4.6
163.11208	6.6
168.09352	3.1
169.06514	3.8
170.07245	2.6
171.08083	2.5
172.08849	4.0
172.94255	2.7
173.06044	2.1
173.09642	22.9
173.13283	67.3
174.06779	21.7
175.07550	3.6
175.11183	11.1
175.14830	2.9
177.09105	1.7
177.12775	3.7
183.11743	9.0
186.06792	4.6
186.10397	4.5
189.09125	26.7
189.10732	2.3
190.95438	2.0
191.10663	4.2
191.14381	7.4
201.09135	14.8
201.12755	64.4
201.16373	7.7
203.14368	15.5
219.06581	4.9
219.10223	39.6
219.13838	69.3
219.17407	64.3
219.21066	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	219.1746
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
50.08574	0.5
50.55416	0.7
51.76090	0.5
55.01876	1.0
55.05515	3.4
56.96559	2.0
57.03438	1.3
57.07072	1.7
57.41925	0.6
59.04991	1.1
59.70904	0.6
67.05506	5.3
69.03420	3.0
69.07072	17.9
69.24514	1.8
69.24937	4.2
71.04994	3.3
74.10548	0.6
79.05516	3.4
81.07061	11.7
83.00732	0.5
83.04977	1.7
83.08617	2.5
85.06528	1.7
91.05477	3.6
91.33614	0.5
93.07059	9.1
95.04966	2.5
95.08611	13.9
97.06537	3.4
97.10150	1.1
105.07037	10.2
107.08597	11.3
107.91507	0.6
109.06522	3.9
109.10162	12.8
111.08109	1.5
113.09724	0.7
117.07024	1.8
119.07785	1.0
119.08588	11.8
121.06536	1.5
121.10159	12.0
123.08064	2.5
123.11710	14.7
125.09654	2.3
129.07053	0.7
130.07816	1.2
131.08597	4.9
133.10155	7.1
135.08063	2.5
135.11705	9.2
137.09636	5.5
137.13266	1.5
143.08580	0.6
145.10133	10.9
147.11676	3.1
148.30730	0.6
149.09634	5.6
149.13257	2.1
151.11206	2.0
154.93208	1.3
156.75578	0.6
159.11722	7.2
161.09566	0.7
161.13278	6.8
163.11198	9.0
170.99821	0.5
172.94183	3.7
173.13277	2.8
174.06897	0.6
175.14828	5.0
177.12724	2.0
177.16336	1.4
189.09158	1.2
190.95370	2.1
191.17961	5.5
195.95859	1.6
201.09250	0.8
201.16403	12.8
203.14267	2.8
213.96959	0.8
219.06586	1.0
219.17459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	Solavetivone
Peak:m/z	Relative Intensity
53.03928	0.8
55.05525	5.4
56.96560	0.9
57.03436	1.2
57.07056	3.2
59.04983	1.7
67.05503	7.4
69.07073	26.4
70.14336	1.4
70.14696	3.1
71.04998	4.8
79.05494	4.5
81.07069	15.0
83.08607	3.8
85.06543	3.3
91.05509	5.2
93.07059	11.2
95.04966	3.5
95.08617	20.9
97.06545	2.1
97.10156	1.9
98.22634	0.7
105.04514	0.8
105.07044	19.3
107.08602	17.0
109.06531	3.8
109.09467	1.6
109.10170	23.9
111.08114	2.0
117.07007	2.8
119.08595	19.3
121.06504	2.2
121.10155	18.4
123.08064	1.6
123.11712	8.7
125.09631	1.6
130.07799	2.0
131.08582	5.9
133.10150	8.8
135.08075	3.9
135.11707	14.9
137.09625	10.9
137.13220	3.8
143.08504	1.0
145.10132	19.1
147.11714	4.5
149.09656	8.0
149.13242	4.5
151.11198	3.0
159.11703	9.8
161.13292	11.1
163.11194	16.6
172.04678	0.9
172.94212	1.8
173.13268	2.9
175.14813	7.7
177.12801	4.1
177.16391	1.6
191.17966	8.9
201.16399	15.4
203.14345	1.3
214.19768	0.8
219.17461	100.0
220.17877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03955	1.5
55.01889	0.5
55.05516	7.1
56.96561	0.5
57.03440	1.0
57.07078	0.7
59.04981	0.7
65.03929	0.5
67.05509	5.0
69.03435	1.0
69.07071	3.4
71.04642	1.0
71.05000	11.2
71.14148	1.1
73.06585	0.6
73.55262	0.5
77.03911	0.9
79.05495	12.6
81.03433	0.6
81.07062	22.6
83.04987	2.4
83.08635	1.5
85.06544	1.0
91.05486	23.2
93.07050	16.0
95.04971	1.8
95.08607	8.0
97.06518	3.8
97.10172	1.0
98.97588	4.1
99.08087	1.1
103.05489	1.6
105.07040	68.6
106.69655	0.6
107.08601	12.0
109.06537	1.5
109.10166	5.1
111.08103	0.8
115.05438	1.2
116.06223	1.0
116.98654	1.4
117.07018	4.4
118.07807	1.1
119.07796	0.8
119.08594	12.2
121.06518	2.0
121.10157	9.8
123.08096	1.7
123.11724	1.8
125.09641	17.6
127.11308	0.6
128.06158	0.6
129.07037	2.4
130.07777	0.9
131.04924	0.7
131.08588	15.0
133.10139	100.0
134.10446	0.9
134.40039	0.6
135.08109	1.3
135.11705	3.0
139.11169	1.7
141.06970	0.8
143.08585	1.3
144.09346	1.1
145.06477	0.9
145.10130	14.3
147.08066	0.7
147.11691	9.6
149.09576	0.6
149.13269	1.4
151.11172	0.6
157.10104	1.3
158.07228	0.7
158.10948	0.8
159.08107	1.6
159.11707	13.8
161.09679	0.6
161.13277	7.6
163.11188	1.2
173.06038	0.7
173.13257	4.0
174.06787	2.0
175.14783	2.6
177.12740	1.3
177.16374	1.3
189.09099	3.5
201.09111	1.4
201.16411	12.5
203.14316	3.5
219.06551	0.8
219.10130	4.3
219.13829	2.2
219.17456	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	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03947	2.0
54.67988	1.2
55.01833	1.4
55.05515	8.0
55.95177	1.3
56.96552	1.4
57.03423	1.9
57.07060	1.4
57.65637	1.4
59.04953	1.4
60.43677	1.2
60.92784	1.2
61.61045	1.1
67.05507	13.2
69.03413	1.9
69.07076	8.7
69.71244	7.9
71.04983	6.1
76.63030	1.3
79.05495	15.4
81.03421	1.6
81.07060	29.1
81.60573	1.7
83.04950	2.7
83.08611	2.2
85.06526	3.4
91.05481	21.7
93.07061	23.0
95.04951	3.5
95.08606	26.2
97.06532	4.3
97.10185	1.8
98.97574	2.8
103.05475	6.1
105.07033	52.0
107.05046	1.4
107.08591	26.2
109.06499	4.2
109.10172	18.6
111.08075	5.0
115.05428	9.2
116.06241	5.2
117.06992	10.8
119.07793	2.2
119.08588	27.5
121.06515	4.0
121.10147	18.3
123.08037	3.5
123.11691	3.4
125.09624	9.0
128.06195	7.8
129.07010	26.6
130.04050	1.6
130.07802	3.1
131.04947	10.5
131.08568	41.2
133.06488	1.5
133.09105	2.6
133.10138	49.7
135.08052	4.3
135.11693	10.5
137.05943	2.5
137.09596	3.0
141.06987	22.8
142.07774	2.0
143.04967	1.7
143.08582	2.5
144.05682	9.6
144.09286	1.4
145.06512	7.3
145.09052	2.2
145.10135	34.8
146.07272	3.0
147.08029	1.5
147.11697	16.7
149.09621	3.4
149.13290	2.2
151.11145	1.6
155.04961	1.5
157.06477	11.7
157.10083	2.5
158.03661	1.9
158.07356	8.8
158.10887	2.6
159.04483	6.0
159.08083	24.3
159.11696	32.0
160.05165	3.1
161.05923	1.9
161.09608	2.8
161.13277	23.3
163.11198	7.7
163.14877	2.0
169.06448	6.0
169.07713	2.1
170.07245	3.4
173.06021	5.5
173.13277	10.0
174.06763	37.4
175.07507	8.3
175.14807	7.6
176.04764	1.7
177.09135	2.4
177.12775	1.9
177.16302	1.5
186.06760	8.9
187.07550	12.3
188.08255	1.7
189.09113	50.2
189.16350	1.7
191.07019	2.7
191.08644	2.7
191.10664	4.7
191.14313	2.0
191.17957	5.4
201.05498	7.0
201.09100	18.0
201.16379	35.6
203.14296	9.4
219.06343	7.2
219.08153	6.2
219.10161	66.6
219.13838	6.0
219.17445	100.0
220.16902	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	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03937	2.0
55.05516	8.0
57.03411	1.5
57.07064	4.5
57.16842	0.9
66.95441	1.0
67.05505	9.0
69.07074	6.1
69.51831	1.7
69.52240	4.6
70.06587	3.1
71.04998	12.1
71.06933	1.6
71.08628	2.2
77.03924	1.4
79.05494	15.0
81.07058	24.2
83.04981	1.9
83.08601	2.2
88.07642	4.9
89.07946	1.6
91.05481	27.4
93.06475	1.4
93.07046	21.2
95.04953	2.3
95.08610	13.3
97.06512	4.0
97.10184	1.6
100.81564	1.2
101.88145	1.0
103.05466	2.9
103.25787	1.2
105.07036	68.5
106.08652	3.0
107.08582	15.3
109.06516	2.3
109.10156	7.3
111.08104	2.2
115.05463	5.6
117.07017	5.8
118.07765	1.6
119.08584	15.1
121.06499	2.8
121.10159	12.3
123.08125	1.4
123.11685	3.3
125.09639	19.6
128.06210	3.2
129.07014	11.3
130.07835	1.7
131.04951	1.6
131.08569	21.9
133.10138	100.0
134.10420	1.0
135.08046	2.5
135.11713	5.4
139.11218	1.6
141.07008	8.5
143.08530	2.9
144.05663	2.3
144.09360	1.4
145.06470	4.3
145.10123	22.5
146.07249	1.4
147.11679	11.8
149.09607	2.5
149.13214	2.4
157.06474	5.9
157.10170	1.6
158.03664	1.9
158.07278	3.9
158.10782	1.0
159.04430	2.2
159.08067	6.7
159.11700	19.0
160.05179	1.8
161.13280	12.9
163.11165	2.4
169.06468	4.1
169.81073	1.0
170.07269	2.1
173.05980	2.9
173.13228	4.2
174.06776	17.4
175.07507	4.4
175.14847	2.1
177.16414	1.7
185.27159	1.1
186.06770	5.4
187.07501	1.8
189.09111	25.2
191.10741	2.4
191.17923	1.1
201.05498	3.6
201.09126	10.6
201.16399	20.9
201.20467	3.4
203.14345	1.8
219.06596	5.0
219.08136	2.3
219.10143	31.8
219.17456	43.3
219.21492	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
50.37291	0.9
53.03932	2.0
55.05514	6.3
57.07067	2.0
65.74866	0.9
67.05520	6.8
69.07060	3.6
69.20463	6.9
69.20877	3.1
71.05000	10.5
73.06493	0.9
79.05495	11.9
81.07065	19.6
83.04993	2.4
83.08658	1.4
90.94917	0.9
91.05490	22.6
92.42696	0.9
93.06551	1.3
93.07052	15.0
95.04948	2.1
95.08603	8.0
97.06532	4.1
97.10188	1.1
103.05459	1.8
105.07040	68.2
107.08596	11.3
109.10155	3.8
111.08126	0.9
115.05435	2.6
116.06238	1.4
117.07030	4.8
118.07792	1.3
119.08575	12.7
121.06496	2.5
121.10162	8.9
123.11728	2.4
125.09634	15.2
126.51075	0.9
128.06189	2.0
129.07021	8.0
130.07829	1.2
131.04871	1.4
131.08597	16.7
133.10139	100.0
135.08046	1.7
135.11699	3.9
139.11153	2.3
141.07014	4.9
143.08434	1.0
144.09363	1.2
145.06602	1.2
145.10141	14.1
147.11714	8.8
149.09708	1.1
149.13202	1.6
157.06447	2.6
157.10155	1.3
158.07256	2.6
159.08064	3.6
159.11691	13.5
161.13264	6.9
163.11143	1.1
169.06531	1.5
170.07149	1.1
173.06032	1.6
173.13304	2.3
174.06802	11.1
175.07503	1.0
175.14807	1.8
186.06798	1.9
189.09135	14.8
191.10770	1.3
191.17958	1.9
201.05411	1.0
201.09117	5.8
201.16396	12.5
203.14148	1.1
219.06596	1.1
219.10172	16.6
219.17455	22.2
219.21471	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	219.1744
Annotation	12-Sesquisabinenal
Peak:m/z	Relative Intensity
53.03937	1.1
55.05499	2.4
56.85008	0.8
56.96565	9.8
57.07076	1.6
65.54180	0.8
67.05238	0.7
67.05512	9.1
69.03429	100.0
69.07068	5.4
69.74752	4.5
79.05489	7.9
81.07051	18.5
83.04987	4.3
83.08606	1.6
85.06122	0.8
85.06551	6.9
87.04055	0.8
91.05483	6.6
93.07043	55.6
95.04930	1.3
95.08601	8.9
97.06552	4.8
105.07037	6.0
107.04974	1.1
107.08592	20.3
109.06499	4.0
109.10158	21.5
111.08087	10.6
119.08595	8.5
121.06512	1.9
121.10138	12.9
123.08054	2.5
123.11708	16.0
131.08568	3.0
133.10109	5.6
135.08073	10.0
135.11687	44.7
136.92178	3.0
137.09604	1.0
137.13249	1.2
145.10118	7.0
149.09627	3.4
149.13225	3.2
154.93164	5.7
155.07227	2.6
156.64772	0.8
159.11670	6.4
161.13264	11.4
163.11209	5.5
167.09097	0.9
172.94241	8.2
172.95430	0.9
173.13243	1.1
174.06796	1.2
175.14801	1.4
176.09584	2.3
176.12013	1.4
177.12758	1.7
177.16441	1.0
185.04858	0.9
185.10098	4.8
187.60368	1.0
189.09059	2.7
190.95258	5.2
191.17918	1.5
195.95901	3.3
199.06471	1.7
201.16373	8.7
203.05859	0.9
203.14275	4.3
213.96968	1.8
217.07443	1.1
219.06802	1.3
219.10196	1.9
219.17438	82.9
220.17793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01901	0.7
55.05516	1.3
57.07073	5.4
58.44915	0.5
59.05014	4.6
65.03947	0.6
67.05515	4.9
69.07076	4.8
70.02958	7.1
70.75659	1.8
72.04523	15.6
73.02930	3.0
73.06575	0.6
74.02452	2.0
79.05517	0.5
81.07056	0.7
83.04985	1.3
85.06551	9.8
86.09711	1.1
87.08107	1.7
90.05563	100.0
91.05434	0.6
95.04978	6.4
96.08128	1.6
98.02425	18.7
98.03062	0.9
98.97607	1.0
100.03990	2.2
103.07590	6.6
113.05997	3.7
114.42537	0.6
116.03470	11.5
124.07598	16.9
124.08485	1.0
131.07042	1.3
142.08632	7.9
156.10229	0.6
158.11827	1.8
160.09708	1.9
166.08690	2.4
174.11324	2.3
184.09711	21.4
202.10760	31.3
205.15852	0.7
220.11816	44.8
220.17821	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1698
Annotation	Fabianine
Peak:m/z	Relative Intensity
57.07073	0.2
67.05481	0.4
69.07052	0.3
69.35673	2.3
76.01933	0.2
77.85384	0.2
81.07038	0.7
91.05460	0.3
92.05839	0.4
93.07030	0.3
94.07403	0.3
95.04989	0.3
95.08669	0.4
95.23692	0.2
99.09406	0.3
105.07018	0.5
106.07369	0.4
107.08549	0.4
118.06557	7.6
119.08553	0.3
120.08880	0.4
121.10146	0.5
128.06200	0.3
130.07411	0.4
131.04927	0.3
131.08582	0.4
132.08087	2.0
132.08914	0.5
133.08850	0.9
134.09587	0.4
134.10461	0.7
142.07338	0.5
146.09584	2.4
158.06876	0.3
160.08450	0.5
160.12109	0.5
162.09163	4.7
162.13618	0.5
175.07213	0.9
176.10806	3.5
176.14360	25.7
177.11446	1.3
188.03419	0.4
189.09035	0.3
190.09476	1.1
190.12248	2.4
191.07033	0.8
192.08998	0.3
201.06662	0.3
202.09496	0.6
202.15948	0.4
205.15884	0.5
209.78398	0.3
219.08119	0.5
220.08633	1.2
220.10544	1.5
220.16978	100.0
221.17317	0.7
236.56395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12457	25.8
67.83377	25.4
70.32751	69.2
96.99454	23.0
105.88148	26.4
123.92945	28.2
221.04247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
56.96551	2.7
71.29792	1.1
71.30109	1.0
77.00874	1.3
81.07016	1.1
82.01432	3.4
82.99835	2.8
83.04977	1.2
93.07025	1.0
98.97592	4.7
100.02495	5.9
101.00895	34.2
102.00949	1.1
103.00653	6.9
105.07024	1.4
116.98599	2.7
117.02124	2.7
118.03494	1.1
119.01938	100.0
119.08524	0.9
120.01971	1.1
121.01668	9.7
121.06523	2.3
127.00861	1.3
129.04028	1.2
131.03680	2.6
131.05429	1.4
133.03433	1.0
135.03214	6.1
137.02983	21.6
137.05989	1.1
139.00917	5.5
142.03459	2.2
143.01787	1.5
145.01697	1.6
145.03426	1.2
147.03108	1.7
148.01353	4.1
149.04680	1.0
150.51715	6.3
157.01707	1.7
157.03465	2.1
159.52188	3.2
161.02972	38.9
161.04387	1.4
163.02690	6.7
165.09154	0.9
173.04781	9.3
175.02695	6.7
175.04485	2.9
177.01019	1.0
179.00821	4.7
179.04034	60.9
179.05515	2.0
179.98041	1.7
184.04489	1.4
186.50891	1.6
191.05795	4.7
193.03754	1.6
193.05467	0.8
195.51521	4.8
197.02988	1.0
197.99130	4.1
198.04211	4.9
198.06136	5.1
202.05708	1.2
203.00670	2.2
203.03931	2.8
220.98329	0.9
221.01779	21.7
221.04968	3.8
221.06874	38.5
238.98264	1.9
239.03879	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	CHEBI:69693
Peak:m/z	Relative Intensity
53.03933	0.5
55.01869	1.2
55.05502	0.8
56.96563	1.3
57.03438	0.4
57.07072	0.9
65.03918	0.4
67.05499	1.0
69.03428	0.8
69.07086	0.6
70.47339	0.2
71.04977	0.4
71.07766	0.3
71.57493	0.3
72.39043	0.2
73.02911	1.0
79.05509	2.0
81.07057	1.4
82.01064	0.3
83.04957	0.5
83.08619	0.7
85.02880	0.5
85.06522	0.4
89.03922	0.3
91.05473	6.5
91.06010	0.4
93.07072	1.3
95.04961	1.1
95.08604	0.9
97.02877	1.1
98.97594	2.2
102.04620	0.2
103.05479	1.8
104.06277	0.6
105.03384	0.3
105.07024	3.6
107.04937	1.0
107.08607	1.4
109.02914	0.3
109.06529	0.6
109.10151	1.0
111.08079	1.0
115.04808	0.3
115.05471	4.1
116.06269	0.5
116.98642	1.0
117.07012	3.0
118.04159	3.1
119.01965	0.6
119.04928	0.8
119.08593	2.2
121.02823	0.3
121.06506	3.2
121.10155	0.7
123.04456	0.3
123.08048	0.3
126.23459	0.2
128.06219	1.4
129.07016	1.1
130.06544	0.4
131.04926	7.2
131.08583	0.5
132.05711	3.5
133.02827	0.5
133.06488	1.9
133.10132	0.7
134.03645	0.8
134.05864	0.3
134.99634	0.3
135.08037	1.0
135.11667	0.3
136.05498	0.4
137.02254	0.3
137.05956	1.6
137.09573	0.6
143.01932	0.4
143.04884	1.6
143.08559	1.4
144.05692	1.6
145.06491	3.4
145.10106	0.4
146.03659	2.2
146.99606	0.3
147.04433	1.5
147.08046	4.3
148.05138	0.4
149.05984	3.1
151.07532	1.3
153.09082	0.4
155.06047	0.8
157.06505	0.5
158.05983	0.6
158.99588	0.4
159.04497	1.7
159.05591	0.4
160.05205	7.1
161.05975	100.0
162.06499	1.0
163.07520	2.1
165.05556	0.3
165.06953	0.6
165.09097	0.4
167.07045	0.6
168.06253	0.4
171.04422	1.2
171.08052	1.7
172.05197	10.3
173.05962	0.8
174.06810	0.5
175.07539	26.7
175.14804	0.5
176.04666	0.3
177.00653	0.3
177.05467	0.6
181.08659	0.3
182.16310	0.3
185.05936	1.0
188.04691	4.2
188.08321	0.5
189.05496	0.8
189.09134	0.4
191.07050	2.2
193.06509	0.2
193.08612	0.6
193.15848	0.6
195.04973	0.5
200.05864	0.3
203.07030	46.7
203.10664	2.4
204.07352	0.4
206.16225	0.4
221.04472	1.7
221.06201	0.5
221.08020	4.8
221.09735	0.3
221.11682	2.6
221.15286	1.5
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	Aristelegone B
Peak:m/z	Relative Intensity
51.55180	1.3
53.03946	2.4
55.05496	3.1
55.82962	1.1
56.96557	2.9
57.03426	1.8
57.07078	2.5
67.05496	5.3
69.03434	6.7
69.07075	2.1
69.65300	8.3
71.04998	8.4
79.05485	4.6
80.57261	1.2
81.07060	14.5
83.01333	3.5
83.04980	4.5
83.08641	1.2
85.02905	2.9
91.05489	11.0
93.07028	6.1
93.61777	1.2
95.04962	4.2
95.08600	6.9
97.06535	3.6
98.97588	3.5
99.04457	1.2
101.93504	1.3
105.07040	14.8
106.07397	1.7
107.08601	8.5
108.97775	1.3
109.06536	3.2
109.10162	11.3
111.04438	5.7
111.08074	1.7
115.05480	1.8
117.07005	2.6
119.08591	13.3
121.06523	3.8
121.10136	3.1
123.08085	7.6
123.11720	9.1
125.05984	4.8
128.06250	2.7
129.06978	2.9
131.08589	2.2
133.06493	1.9
133.10133	19.1
135.08073	11.2
135.11722	2.1
136.08842	5.5
137.05994	6.2
137.09615	20.7
142.07800	5.7
143.08534	1.8
145.06474	3.8
145.10156	2.7
146.06097	2.1
146.07240	3.0
147.04411	3.1
147.08044	1.5
147.11690	14.1
149.02342	1.4
149.09663	1.6
151.03906	4.1
151.07538	2.4
151.11192	18.6
153.09163	6.8
157.10176	11.2
159.11743	1.3
160.08849	5.5
161.09645	24.1
161.13260	1.7
163.07607	3.3
164.08395	2.1
175.07539	2.9
175.11195	46.3
177.09076	6.3
178.08847	1.5
179.10693	100.0
185.09689	2.1
188.08344	2.9
191.07031	3.0
193.12364	3.0
202.86339	1.2
203.07146	2.2
203.10716	24.7
221.04463	1.9
221.08157	3.6
221.11771	47.4
221.15237	2.4
221.18961	4.0
222.07764	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.01874	0.5
55.05517	2.8
56.96574	0.9
57.07071	0.6
59.04996	0.5
67.05523	1.6
69.03425	0.6
69.06721	0.7
69.07069	7.1
69.78742	2.0
79.05494	1.7
81.07056	3.6
83.04928	0.4
83.08621	2.8
85.02906	5.3
91.05484	1.8
93.07050	2.9
95.04946	1.2
95.08610	4.4
97.06516	0.6
98.20676	0.4
105.07036	5.1
107.04959	0.4
107.08587	3.0
109.06522	5.3
109.10171	2.2
111.08068	1.0
113.78725	0.3
116.98628	0.6
117.07021	1.2
119.08594	8.8
121.06491	1.4
121.10159	3.9
123.08073	5.8
123.11720	1.7
125.05990	0.5
129.06973	0.4
130.07770	0.5
131.08534	1.0
133.06502	0.4
133.10141	18.1
135.08041	1.0
135.11696	2.4
136.11273	0.4
137.06015	0.5
137.09593	1.4
137.13277	0.8
139.07571	0.5
139.11179	0.7
143.08586	0.4
145.10152	3.2
146.10867	0.4
147.08008	1.0
147.11676	0.9
149.09608	0.6
151.07553	18.0
152.08321	0.6
157.10152	0.4
159.11729	1.9
161.13268	30.8
163.11171	2.5
165.09148	3.9
173.10818	0.5
175.14865	2.2
177.12816	0.4
179.14320	3.9
185.13310	2.1
193.15836	0.7
203.14340	2.6
203.17940	0.4
203.80434	0.3
217.89842	0.4
221.04506	0.8
221.15375	100.0
222.15804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03941	2.6
55.05513	14.3
57.07066	6.0
67.05506	12.2
69.07073	24.4
69.40633	1.7
71.02579	4.6
71.04992	16.2
79.05494	24.7
81.07059	97.3
83.04974	3.2
83.08609	8.8
85.06498	2.9
86.43401	1.6
89.09366	1.8
91.05481	14.7
93.07046	50.0
95.04980	3.6
95.08611	43.9
97.06512	3.5
97.10165	2.7
98.97561	2.7
99.08080	4.3
105.07036	42.5
107.07864	3.7
107.08598	73.9
109.06490	3.5
109.10165	34.1
111.08067	5.8
111.11731	3.6
113.09637	2.6
115.05461	3.2
117.06978	3.4
119.08585	58.5
121.06488	5.8
121.10146	22.7
123.11703	18.3
125.09668	3.1
127.11191	7.7
131.04948	4.2
131.08528	1.9
132.96661	2.3
133.06499	2.8
133.10147	27.2
135.08070	2.1
135.11697	100.0
137.05945	5.0
137.09642	3.7
137.13295	3.1
143.04967	2.0
145.06430	2.5
145.10162	2.2
147.11702	32.4
149.02344	2.0
149.05968	3.5
149.13248	7.3
151.11205	2.6
159.11717	2.3
161.05992	5.8
161.09552	2.1
161.13277	18.4
163.14810	25.8
165.09161	2.3
165.12743	4.6
175.07532	7.5
175.14842	14.0
177.16344	4.5
193.08740	3.9
203.07011	4.8
203.17963	66.1
221.04361	6.1
221.08046	7.6
221.11699	2.7
221.15396	5.7
221.19023	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	3.6
55.05512	17.9
56.62270	1.4
56.96562	5.8
57.07082	8.8
59.05001	3.3
60.38454	1.4
65.03933	2.9
67.05508	26.0
69.03433	1.9
69.06721	2.5
69.07072	30.5
71.04994	13.9
71.58910	2.7
72.81250	1.5
73.06554	1.9
79.05494	23.3
81.07058	100.0
83.04978	3.6
83.08601	9.5
85.02864	1.7
85.06561	5.7
91.05483	26.2
93.07047	47.9
95.04971	5.2
95.08608	74.0
97.02908	2.9
97.06544	5.0
97.10185	5.7
98.97599	4.3
99.08099	3.1
103.05481	6.2
105.03411	2.5
105.07034	60.4
107.04981	1.9
107.08596	68.8
109.06528	5.1
109.10164	44.2
111.08076	5.5
111.11720	2.9
113.09705	1.7
115.05474	5.3
116.98628	2.6
117.07014	3.9
118.86616	1.7
119.08587	55.4
121.06509	9.4
121.10151	30.5
123.08053	3.7
123.11703	27.3
123.71923	1.4
125.09630	5.1
127.11211	1.8
129.07083	1.8
131.04926	10.4
133.02853	2.2
133.06497	4.9
133.10138	36.6
135.11703	35.9
137.05988	5.3
137.09645	6.6
137.13301	4.7
139.11256	3.4
143.04947	4.0
145.10164	2.4
147.11696	65.1
149.05983	3.9
149.13249	8.4
151.03983	2.7
151.07608	1.6
151.11292	3.2
151.14836	2.4
159.11684	2.5
160.05199	2.7
161.02319	2.4
161.05966	9.1
161.09700	2.7
161.13255	24.2
163.07541	6.3
163.11263	2.0
163.14824	48.2
165.05571	2.3
165.07004	1.7
165.12773	7.7
173.06038	1.6
173.13280	1.7
175.07524	7.5
175.14841	13.6
177.16368	9.4
179.14333	2.9
183.87450	1.6
189.01868	2.4
189.05487	2.5
191.07054	4.2
191.70461	1.7
192.94968	1.7
193.08607	7.2
200.41229	1.5
203.07048	4.5
203.10826	2.1
203.14250	4.6
203.17969	95.1
204.18327	2.3
206.05763	1.5
206.16431	1.9
219.03079	1.5
221.04422	14.7
221.07965	8.7
221.11646	3.6
221.13419	2.6
221.15730	9.5
221.19041	69.7
222.11269	6.0
232.61716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03932	4.1
55.05506	12.4
56.96561	7.0
57.07063	5.5
60.48477	2.0
65.03937	2.3
67.05512	19.7
69.06779	2.0
69.07074	21.5
71.02108	4.2
71.04990	13.3
74.67766	2.6
79.05486	15.8
81.07059	100.0
81.49813	2.1
83.08587	4.6
91.05460	18.7
93.07049	57.0
95.04960	5.3
95.08611	46.1
97.02879	3.6
97.06516	3.8
98.97577	3.7
99.08118	3.7
103.05480	7.5
105.07038	52.2
107.08597	50.7
109.10153	29.8
111.08074	6.3
113.09617	2.6
115.05470	2.3
116.98596	2.4
117.07002	3.3
119.08582	77.4
121.06499	43.2
121.10142	21.9
123.11706	17.2
124.14017	1.9
126.97032	3.4
127.11180	10.1
131.08562	2.5
133.10138	25.9
135.11697	56.6
137.05991	3.0
137.09601	3.9
137.13252	4.5
144.98073	2.0
147.10664	3.0
147.11693	38.3
149.13240	10.7
151.11102	3.0
158.01152	2.3
158.99716	2.2
161.05954	5.2
161.13251	15.6
163.14839	28.5
165.12732	5.8
170.55931	2.6
175.07478	4.2
175.14835	9.3
177.04718	2.2
177.16386	3.3
179.03252	2.5
193.08473	2.7
202.10138	2.4
203.14294	3.1
203.16057	3.4
203.17947	64.2
206.99724	3.0
221.04376	9.5
221.07803	8.2
221.09866	2.3
221.15532	3.0
221.19011	64.2
225.00783	5.7
240.41368	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03949	2.9
54.99411	1.0
55.01848	1.3
55.05515	8.7
56.96569	6.7
57.03426	1.4
57.07066	5.0
59.04975	1.4
65.03928	2.3
67.05506	11.9
69.03419	1.8
69.07063	12.4
69.84556	6.0
71.04992	2.7
74.76925	1.4
75.28075	1.2
75.84055	1.1
79.05109	1.3
79.05500	13.2
80.00007	1.1
81.07059	58.1
82.84177	1.1
83.04960	3.4
83.08630	7.6
85.06539	1.8
91.05481	12.1
93.07049	30.7
95.04956	2.2
95.08613	31.3
97.02883	2.7
97.06525	2.0
97.10181	2.6
98.97563	6.1
103.05451	3.4
105.03367	1.6
105.07034	30.8
107.08598	51.9
109.06506	2.9
109.10161	22.0
111.08057	5.4
115.05436	1.6
116.98634	3.2
117.06998	2.8
118.75564	1.0
119.08585	35.2
121.06519	15.1
121.10146	28.6
123.11726	13.0
125.09638	2.1
131.08574	2.0
133.02945	1.1
133.06488	2.9
133.10152	15.1
135.08069	1.2
135.11699	21.0
136.64584	1.0
137.06009	3.4
137.09634	4.0
137.13220	1.8
138.80997	1.1
139.11192	1.3
145.10139	2.5
147.11696	22.9
149.06001	1.3
149.13222	6.8
150.99370	1.1
151.11206	2.3
158.01285	2.0
159.11700	2.7
161.02361	3.8
161.05986	3.1
161.13272	13.2
163.14827	100.0
165.12730	5.9
174.93851	1.6
175.02753	2.1
175.07541	3.8
175.11229	2.0
175.14836	19.2
177.00697	2.1
178.07608	1.3
179.10677	1.7
179.14270	1.9
185.13441	1.2
186.03961	4.3
186.54170	1.4
188.08340	1.4
189.01843	2.2
189.05357	2.1
193.08562	1.6
195.04506	4.7
195.54703	1.7
197.54788	1.6
203.06982	2.9
203.10553	2.0
203.14275	3.1
203.17961	33.5
203.19742	2.4
206.16258	1.4
221.04489	10.0
221.07932	6.5
221.09853	2.2
221.11748	3.9
221.15506	8.7
221.19022	36.0
225.00819	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03938	2.2
54.55429	0.9
55.05507	5.6
57.07067	1.8
60.14818	1.0
67.05510	6.0
69.07077	6.7
70.88046	2.8
71.05001	13.4
79.05504	14.8
81.07066	66.0
83.08626	1.9
91.05492	7.8
93.07058	30.1
93.47117	1.0
95.08623	16.7
97.06543	1.2
97.10218	1.1
99.08083	3.9
103.05478	1.2
105.07045	18.1
107.08607	51.7
107.38401	1.1
109.06493	1.1
109.10164	14.5
117.07014	1.4
119.08588	35.6
121.06502	4.3
121.10134	5.2
123.08124	1.7
123.11729	14.4
126.97041	1.6
127.11222	7.4
133.09250	1.5
133.10150	20.1
135.11707	100.0
137.09622	2.1
147.11699	14.6
149.13240	5.9
151.11235	1.7
160.12541	1.4
161.13301	8.1
163.14844	3.4
165.12737	1.6
175.14946	1.2
203.17961	27.5
221.11674	1.1
221.19016	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.14552	1.9
53.03942	3.0
55.05513	13.3
57.07061	3.9
67.05511	11.4
69.07069	20.2
69.51517	13.5
69.51930	3.2
71.05001	17.0
79.05490	17.5
81.07063	94.2
83.04972	2.3
83.08623	4.7
85.06537	3.0
86.48708	1.9
91.05494	13.7
93.07050	41.6
95.04967	4.1
95.08056	2.8
95.08615	40.2
97.06521	3.7
99.08086	5.1
103.05447	2.8
105.07047	39.6
105.07725	1.3
107.08605	72.0
109.06494	2.7
109.10168	26.7
113.09646	2.2
115.05505	2.1
115.34448	1.7
117.07026	2.3
119.08590	55.9
121.10155	18.8
123.08063	2.8
123.11729	16.3
125.09628	2.7
127.11178	8.1
131.04956	3.2
133.06490	4.5
133.10132	26.0
135.11697	100.0
137.05966	4.7
137.09579	3.4
143.04906	3.0
145.10146	3.4
147.04388	2.8
147.08040	3.0
147.11702	27.1
149.02347	3.3
149.13245	8.7
151.03903	7.4
151.11293	4.3
152.02599	1.9
157.06564	2.9
161.05977	7.1
161.13266	15.8
163.14839	38.9
165.09148	3.3
165.12737	4.2
175.07539	6.2
175.14818	7.2
177.16357	2.2
184.59610	1.9
189.05449	2.7
193.08612	2.5
203.07042	5.3
203.14319	3.0
203.17975	33.6
221.04407	4.8
221.08049	6.7
221.11629	2.4
221.15375	7.6
221.19086	37.4
222.11180	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03941	2.2
54.54292	1.3
55.05515	8.7
56.07808	1.3
57.07074	3.0
58.97143	1.6
65.03938	1.7
67.05495	6.4
69.07068	6.8
71.04995	17.3
79.05493	13.9
81.07065	70.1
81.23120	1.3
83.04969	1.5
83.08611	3.5
91.05493	8.9
93.07053	33.0
95.04964	1.7
95.08614	19.2
95.89712	1.3
98.21330	7.3
99.08100	4.1
104.46912	1.3
105.07040	19.4
107.08601	53.4
109.10170	17.3
111.08079	1.5
117.03026	1.3
119.08585	39.2
121.10154	7.2
123.11715	17.4
126.42987	1.3
127.11189	7.0
129.81151	1.6
133.10135	19.4
135.11700	100.0
137.09630	1.5
137.13242	1.8
145.10123	2.2
147.11682	14.6
149.13277	4.8
152.60068	1.4
161.13245	9.1
163.14813	2.8
175.11172	2.0
175.14734	1.8
203.17960	27.7
221.11768	1.9
221.15468	2.8
221.19023	26.2
221.21948	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	2.0
55.05513	7.5
57.07069	2.8
66.69704	1.1
67.05505	7.4
69.07061	8.4
69.32912	5.3
69.33350	4.7
71.04994	17.7
73.75150	1.0
79.05070	1.2
79.05502	20.0
81.07064	78.5
83.04978	2.5
83.08620	3.5
83.15309	1.0
91.05478	12.0
93.06169	1.5
93.07051	36.6
95.04964	1.9
95.08611	21.6
97.06514	2.5
97.10169	1.8
99.08087	4.9
103.05476	1.7
105.06396	1.8
105.07043	25.3
107.08603	57.2
109.06526	3.5
109.10160	16.3
111.08064	2.2
113.09615	1.8
117.07035	1.6
119.08592	48.3
121.06502	8.3
121.10138	6.1
123.08049	1.8
123.11725	13.5
126.96947	1.4
127.11195	8.5
131.08546	1.8
133.06425	1.2
133.09241	1.7
133.10153	21.5
135.11700	100.0
145.10130	1.4
147.11702	16.8
149.13263	5.7
151.11191	2.6
159.04214	1.3
159.11703	1.4
161.02878	1.4
161.09564	1.5
161.13290	10.6
163.14841	1.9
175.11148	1.5
175.14790	1.9
177.07884	4.3
178.08513	1.7
180.06551	2.5
203.17967	32.0
221.07927	1.4
221.11829	1.3
221.15529	2.6
221.19026	28.8
222.07635	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.37788	1.5
53.03957	2.1
53.81602	1.8
54.03228	1.5
54.72556	1.4
55.01859	1.7
55.05516	10.5
56.96570	4.0
57.07064	5.4
67.05182	1.8
67.05511	27.3
69.07070	43.2
69.47677	4.0
69.48090	9.8
71.04987	2.6
71.08619	1.8
73.61360	1.6
79.02111	1.6
79.05491	13.8
81.07060	79.0
83.08626	9.8
85.06555	3.0
91.05474	16.7
92.35920	1.8
93.07053	27.6
95.04982	2.1
95.08615	52.6
95.09238	2.7
97.06535	33.9
97.10174	4.9
98.20815	3.8
98.97569	4.8
105.07035	89.9
107.08601	35.0
109.06506	5.7
109.10164	55.9
109.10920	2.9
111.11721	5.0
116.98628	3.8
117.07014	4.0
117.96820	1.6
119.08589	100.0
121.10149	23.3
123.08107	2.6
123.11726	31.0
125.09688	1.8
131.08568	3.4
133.10136	35.0
135.11703	13.5
137.09637	2.8
137.13255	3.5
145.10138	5.3
147.11694	78.0
149.13239	5.6
151.11256	2.4
161.02336	2.1
161.09660	2.3
161.13271	20.3
163.14815	6.1
165.12743	2.9
175.14812	6.7
177.16389	7.4
203.17970	93.1
206.16212	2.9
221.04448	9.0
221.07861	3.7
221.15379	4.7
221.19048	25.6
238.89775	1.5
241.68793	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.2
65.81333	0.1
67.05486	0.2
70.74782	0.2
79.05479	0.3
81.07046	0.3
91.05486	0.3
92.05014	1.3
93.03413	0.3
93.05785	0.3
98.97585	1.1
103.05488	0.3
105.03405	0.2
107.07348	0.7
108.08157	0.1
108.08878	0.2
110.06022	0.3
116.98602	0.5
118.06557	0.2
119.08517	0.2
120.04465	2.5
121.05266	0.5
121.06506	0.3
131.04904	0.3
134.99686	0.2
136.12061	0.2
137.04730	0.3
138.05496	0.5
140.00211	0.2
146.05992	0.3
148.03935	2.1
149.02310	0.2
151.06293	5.5
152.07071	5.9
158.01306	0.2
163.07507	0.2
177.12718	1.0
178.08705	0.2
180.06561	100.0
181.05063	0.9
181.06726	0.9
194.08052	0.4
204.06586	0.2
207.90669	0.1
222.07628	16.0
222.11264	0.6
222.18645	0.2
223.05948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0758
Annotation	Methyl 2-(2'-hydroxyphenyl)-2-oxazoline-4-carboxylate
Peak:m/z	Relative Intensity
53.03940	0.1
55.05505	0.1
55.36766	0.1
56.96563	0.2
59.01388	0.1
65.03933	0.2
66.04734	0.1
67.05514	0.1
69.07066	0.1
71.04990	0.2
71.57225	0.1
72.05327	0.1
72.88045	0.1
75.59717	0.1
79.05489	0.6
80.05822	0.1
81.07067	0.8
82.07388	0.4
83.53032	0.1
90.04736	0.1
91.05481	2.0
92.04968	0.2
92.05805	0.1
93.07053	0.6
94.07378	0.3
95.04990	0.1
95.08604	0.2
96.08943	0.1
98.97581	0.4
103.05426	0.1
104.04994	0.2
105.07013	0.3
106.04173	0.1
106.06547	0.7
106.07349	0.3
107.04948	0.1
107.08575	0.4
108.08923	0.4
110.06024	0.1
110.10498	0.2
116.04977	0.2
116.98620	0.1
117.05759	1.8
118.04150	0.1
118.05692	0.1
118.06542	2.6
119.04944	0.2
119.07316	0.3
119.08556	0.3
120.04485	0.2
120.08094	0.3
120.08926	0.5
121.06510	1.4
122.06021	0.3
122.06824	0.1
122.10463	0.1
124.12025	0.1
126.97018	0.1
128.11575	0.1
131.07271	0.1
132.04445	0.6
132.08101	0.4
133.10127	0.1
134.05998	0.8
134.10477	0.3
135.11688	0.6
136.07585	0.6
136.12033	0.9
138.05493	0.3
144.04465	0.4
145.05219	0.6
146.06029	1.6
148.07574	0.3
148.12013	0.2
149.05981	0.2
150.05463	0.1
151.06262	0.6
152.07072	0.1
158.01236	0.1
158.99614	0.1
161.04663	0.1
162.05511	0.9
162.13683	0.1
163.06300	0.3
164.07076	4.3
165.05534	0.3
166.21500	0.1
167.03467	0.1
167.07079	0.1
176.07091	0.9
177.07852	11.1
178.08629	2.4
180.06554	2.5
181.04985	0.1
190.04976	0.1
192.06540	0.3
195.05515	0.1
204.06560	2.8
204.14514	0.1
204.18306	0.5
209.06804	1.0
222.07613	100.0
223.07965	1.0
225.00732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32893	0.1
64.25476	0.1
65.03937	0.4
69.03419	0.1
69.85880	0.7
72.84969	0.1
79.05524	0.1
81.07067	0.1
91.05486	0.2
92.05010	1.3
93.03371	0.2
93.05789	0.2
93.07021	0.3
94.06537	0.1
95.08628	0.2
98.97588	1.7
103.05421	0.1
105.03394	0.2
107.07335	0.8
108.08141	0.1
110.06056	0.3
116.98599	0.5
120.04462	2.5
121.02874	0.3
121.05276	0.4
121.06509	0.3
122.06001	0.3
124.59259	0.1
134.99619	0.2
136.12061	0.1
137.04736	0.3
138.05489	0.4
140.00153	0.1
148.03931	2.1
148.12086	0.1
149.02328	0.4
150.05502	0.2
151.05028	0.2
151.06287	5.8
152.07068	6.1
158.01263	0.3
162.05457	0.2
163.03856	0.3
175.03255	0.2
176.00537	0.1
180.06557	100.0
181.05054	0.8
181.06766	0.7
191.03395	0.3
194.08081	0.3
222.07619	15.9
222.19269	0.1
223.06052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.2
60.04512	0.1
63.81282	0.1
65.03941	0.4
67.05484	0.1
68.05029	0.1
71.05006	0.1
71.58195	0.1
79.05494	0.1
81.07066	0.1
91.05482	0.2
92.04484	0.1
92.05013	1.5
93.03429	0.4
93.05777	0.2
94.06536	0.1
98.97588	0.8
103.05456	0.1
105.03414	0.2
107.07339	0.9
108.08126	0.3
110.06033	0.3
111.04478	0.1
116.98612	0.4
120.04472	2.6
121.02869	0.3
121.05251	0.4
121.06483	0.3
122.06005	0.2
124.13628	0.1
130.43730	0.1
131.04932	0.2
134.99591	0.1
136.12090	0.1
137.04706	0.3
138.05554	0.4
140.00215	0.2
146.06000	0.2
148.03935	2.1
148.11955	0.1
149.02316	0.4
150.05461	0.1
151.06291	4.9
152.07068	5.9
155.15588	0.1
162.05438	0.1
163.03951	0.2
163.07582	0.2
177.12711	0.6
178.08630	0.2
180.06560	100.0
181.05055	0.7
181.06691	0.6
191.03424	0.2
194.08136	0.3
204.18292	0.1
222.07623	16.9
222.11237	0.7
222.18513	0.3
223.06071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
53.00298	0.2
65.03948	1.8
67.30987	0.3
71.50466	0.4
71.85433	0.2
79.05501	0.6
89.03925	0.4
91.05482	2.6
92.05016	2.1
93.03414	2.7
93.05794	0.2
95.04985	0.3
98.97572	0.4
106.06506	0.2
107.04960	0.7
107.07335	0.7
110.06087	0.3
116.04984	0.8
117.03391	0.7
117.05763	1.8
118.05708	0.3
118.06548	5.2
118.76063	0.2
120.04478	3.2
121.02876	6.2
121.05292	0.6
121.06497	0.3
122.05988	0.2
135.04396	1.5
137.04805	0.3
138.05508	0.7
144.04440	3.2
145.02852	0.4
146.06024	12.8
148.03941	2.3
149.02351	4.4
150.05467	0.4
151.06293	6.0
152.07074	6.1
162.05518	2.1
163.03914	3.5
167.03381	1.6
172.03928	0.9
176.07069	4.0
177.07791	0.2
178.08647	19.0
180.06567	100.0
181.04976	20.6
181.06728	0.7
190.05013	0.9
191.03426	2.9
194.08076	0.4
204.06522	2.6
204.08174	0.2
222.07628	29.0
223.06044	1.7
223.07961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32893	0.1
64.25476	0.1
65.03937	0.4
69.03419	0.1
69.85880	0.7
72.84969	0.1
79.05524	0.1
81.07067	0.1
91.05486	0.2
92.05010	1.3
93.03371	0.2
93.05789	0.2
93.07021	0.3
94.06537	0.1
95.08628	0.2
98.97588	1.7
103.05421	0.1
105.03394	0.2
107.07335	0.8
108.08141	0.1
110.06056	0.3
116.98599	0.5
120.04462	2.5
121.02874	0.3
121.05276	0.4
121.06509	0.3
122.06001	0.3
124.59259	0.1
134.99619	0.2
136.12061	0.1
137.04736	0.3
138.05489	0.4
140.00153	0.1
148.03931	2.1
148.12086	0.1
149.02328	0.4
150.05502	0.2
151.05028	0.2
151.06287	5.8
152.07068	6.1
158.01263	0.3
162.05457	0.2
163.03856	0.3
175.03255	0.2
176.00537	0.1
180.06557	100.0
181.05054	0.8
181.06766	0.7
191.03395	0.3
194.08081	0.3
222.07619	15.9
222.19269	0.1
223.06052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81437	2.9
59.05001	3.7
67.05479	3.2
69.07069	13.8
69.79654	14.9
71.05000	27.4
79.05487	12.2
81.07065	100.0
83.04977	5.8
91.05470	3.0
93.07037	4.1
95.08586	2.9
95.38806	2.9
97.06536	5.8
98.97585	5.7
99.08089	4.8
99.41760	2.6
107.08602	11.5
108.61958	2.7
109.06506	3.9
109.10153	15.5
111.08115	3.6
111.11717	9.6
116.98558	3.4
121.06504	8.7
121.10116	5.6
123.11730	28.4
139.11194	13.8
142.24687	2.7
146.05939	3.4
147.04424	4.2
148.32367	2.6
151.11205	38.6
157.12231	23.9
169.12271	40.0
178.08661	6.2
187.13313	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	Fraxidin
Peak:m/z	Relative Intensity
53.00309	0.7
53.03932	0.4
56.22776	0.3
65.03944	5.0
70.90337	0.7
76.23527	0.3
79.05497	2.8
89.03913	2.4
93.02816	0.5
93.03412	9.0
95.04916	0.4
107.04955	3.2
111.04475	0.6
117.03388	2.7
121.02876	24.7
123.00816	0.6
125.05988	0.4
135.04425	6.7
137.97827	0.3
145.02832	2.5
149.02351	18.9
153.05493	0.9
163.03912	18.2
167.03430	2.8
181.04967	100.0
182.05338	0.8
191.03401	12.1
192.03702	0.2
205.04953	0.7
209.04495	0.8
210.37636	0.2
223.06029	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	223.0601
Annotation	Fraxidin
Peak:m/z	Relative Intensity
53.00311	1.0
53.03949	0.3
55.01884	0.4
61.02931	0.3
64.48500	0.2
65.03941	5.7
67.05508	0.5
69.03439	0.2
69.07062	0.4
69.35976	1.5
69.36403	0.4
79.05494	2.4
81.07057	0.6
82.04185	0.4
89.03928	1.4
91.00423	0.2
91.05476	0.8
93.03409	10.4
93.07024	0.4
94.04187	0.2
95.01330	0.7
95.04971	0.3
95.08598	0.6
97.06535	0.5
105.04551	0.3
107.04967	2.4
107.08603	0.3
111.04443	0.8
117.03394	1.7
121.02870	31.0
123.00768	1.2
125.05979	0.4
129.62631	0.2
135.04416	3.9
135.11681	0.2
145.02888	1.8
147.04385	0.3
149.02348	26.5
153.05453	1.2
155.03358	0.2
163.03905	11.2
167.03407	3.7
177.05489	0.4
180.06497	1.0
181.04961	100.0
182.05301	0.7
191.01649	0.4
191.03397	8.3
205.05005	0.4
209.04465	0.4
223.06000	10.4
224.09258	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	Fraxidin
Peak:m/z	Relative Intensity
52.50924	0.2
53.00310	0.9
53.03946	0.3
55.01884	0.3
65.03940	6.3
67.05507	0.5
71.18995	0.2
77.03945	0.2
79.05490	2.1
81.03431	0.3
81.07041	0.3
82.04214	0.5
83.04957	0.2
85.02894	0.2
89.03915	1.6
91.05470	0.5
93.03411	10.5
94.82236	0.2
95.01375	0.5
95.04988	0.5
95.08589	0.2
97.06537	0.8
102.03461	0.2
107.04965	2.2
107.08608	0.2
110.03751	0.2
111.04436	1.0
117.03366	1.8
121.02874	30.9
121.10147	0.3
123.00787	0.9
125.06055	0.2
135.04419	4.0
139.03886	0.3
145.02867	1.2
147.04387	0.4
149.02348	25.0
153.05516	1.1
163.03918	9.9
167.03415	5.1
177.05600	0.2
181.04964	100.0
182.05328	0.8
182.42676	0.2
191.03413	7.4
192.96370	0.2
195.06508	0.6
195.89502	0.2
205.05000	0.3
209.04463	0.4
223.06010	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0602
Annotation	Fraxidin
Peak:m/z	Relative Intensity
50.77626	0.2
51.09345	0.2
53.00314	0.9
53.03965	0.4
53.34234	0.2
55.05503	0.3
63.41670	0.2
65.03945	5.9
67.05504	0.6
69.03434	0.3
71.09362	0.5
79.05495	2.5
81.03419	0.5
81.07059	0.8
82.04205	0.5
85.02917	0.2
86.03817	0.2
89.03932	1.8
91.05489	1.1
92.24915	0.2
93.02824	0.6
93.03413	10.4
93.07047	0.4
95.01336	1.0
95.04981	1.0
95.08610	0.5
97.06548	0.5
104.16983	0.2
106.58831	0.2
107.04956	2.9
107.08609	0.2
109.10138	0.4
111.04443	1.9
112.33396	0.2
117.03388	1.9
119.04964	0.5
121.02877	36.3
121.10149	0.5
123.00782	1.5
123.04482	0.3
125.06000	0.7
135.04428	5.3
139.03911	0.5
141.01871	0.3
145.02879	2.5
147.04456	0.7
149.02354	35.7
150.02809	0.3
151.03889	0.4
153.05476	1.9
163.03922	12.4
163.11195	0.3
167.03412	5.7
173.02373	0.3
177.05502	0.8
181.04968	100.0
182.05319	0.7
190.50691	0.2
191.03403	11.0
195.06508	0.3
205.04993	0.9
209.04408	0.8
223.06021	10.7
223.13361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0602
Annotation	Fraxidin
Peak:m/z	Relative Intensity
53.00308	0.9
53.53487	0.2
55.01880	0.4
61.02921	0.3
65.03943	5.4
67.05502	1.0
68.39816	0.3
69.07053	0.5
69.88709	0.7
69.89116	0.7
71.04988	0.3
73.35207	0.3
79.05499	2.7
80.35805	0.3
80.42847	0.3
81.03403	0.5
81.07056	1.2
82.04193	0.5
85.06595	0.3
89.03932	2.1
90.87440	0.3
91.05483	2.0
93.03413	11.0
93.07063	0.8
95.01340	0.9
95.04988	0.8
95.08612	0.7
97.02884	0.4
97.06515	0.4
97.10161	0.4
98.20771	0.3
99.19530	0.3
103.33614	0.3
105.07041	0.8
107.04962	3.0
107.08589	1.1
109.10155	0.6
111.04443	1.8
117.03368	1.6
119.04921	0.4
121.02877	34.2
121.10146	0.6
123.00810	1.6
125.05995	0.6
133.10100	0.4
135.03413	0.4
135.04414	5.7
135.11736	0.3
139.03940	0.4
144.27470	0.3
145.02863	2.6
147.04420	0.7
147.11664	0.4
149.02356	34.7
153.05446	1.4
159.11671	0.3
163.03920	11.5
167.03427	6.5
177.05496	0.6
181.04970	100.0
182.05330	0.7
191.03406	11.0
191.89688	0.3
195.06552	0.8
205.04961	0.5
209.04428	0.4
223.06032	14.0
223.11253	0.4
223.13263	0.5
223.16902	0.8
225.04303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03953	11.2
55.01860	3.6
55.05511	6.2
56.96561	2.8
57.03436	5.4
57.07042	1.2
59.04996	1.6
65.03926	3.5
66.70099	1.2
67.05505	9.0
69.03138	1.0
69.03439	13.2
69.07050	3.0
70.80346	1.2
70.80682	2.2
71.05001	7.9
72.08157	17.1
74.74106	0.9
77.03932	1.6
79.05494	20.4
79.05949	1.0
81.03420	31.0
81.07057	10.6
83.01353	6.0
83.04992	15.0
84.96026	1.1
85.02899	4.2
86.12986	1.0
91.05485	35.2
91.16731	1.0
93.03396	2.9
93.06476	1.7
93.07050	31.1
95.04974	14.0
95.08583	5.1
97.02867	2.7
97.06506	1.9
98.21086	1.4
98.97573	4.2
103.05474	5.1
105.04495	1.5
105.07043	17.9
107.04955	8.6
107.08598	24.1
109.02899	4.7
109.06532	6.9
109.10162	5.6
110.97573	1.1
111.04441	5.4
111.08130	1.2
115.05489	5.3
116.98610	1.7
117.07022	100.0
119.06111	1.5
119.08582	24.9
120.09342	1.0
121.02839	4.1
121.05657	2.0
121.06509	37.3
121.10150	17.6
122.06541	1.4
122.07302	13.2
123.04427	8.4
123.08073	6.0
123.11731	1.5
125.05981	7.7
125.09629	1.9
127.03930	1.8
128.06224	1.9
128.98657	1.6
129.06982	6.8
130.07756	2.7
131.08577	29.3
132.95813	1.5
133.06465	3.4
133.10100	7.0
135.04413	3.6
135.08058	55.8
135.11702	15.9
136.08855	10.7
137.06006	6.0
137.09622	12.4
139.07504	1.5
143.08577	1.3
144.09363	8.2
144.98100	1.3
145.05092	0.9
145.06467	5.7
145.10143	10.7
147.04366	1.2
147.08032	3.6
147.09077	1.1
149.02361	6.2
149.06042	5.0
149.09628	57.9
149.13210	3.5
150.06758	16.6
151.07552	7.6
151.11166	1.7
153.05469	2.0
153.09155	5.0
158.99603	3.7
159.08069	15.2
159.11699	30.0
161.05966	4.6
161.09607	6.4
162.10399	4.0
163.03903	5.8
163.06270	1.9
163.07555	24.1
163.11189	41.1
165.05424	1.5
165.09123	18.1
166.05824	2.2
167.03427	2.6
172.08832	4.6
174.96919	1.2
175.07558	15.9
175.11115	2.0
176.08348	2.4
177.00737	2.7
177.07600	2.1
177.09140	28.2
177.12747	56.2
178.08687	2.3
179.06958	1.9
179.10687	4.5
181.04991	9.3
181.08565	2.8
181.12112	1.5
185.53114	1.2
187.07568	6.7
187.11188	13.9
189.09140	1.9
190.09903	13.8
194.07118	1.1
195.10190	10.1
202.06837	2.7
203.10704	7.2
205.06799	1.8
205.08636	21.8
205.12244	73.1
210.11288	1.4
222.07669	1.1
223.06004	4.2
223.09798	10.9
223.13290	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03934	2.4
53.23524	1.5
55.05514	8.5
59.04990	3.3
60.72209	1.8
65.03939	3.7
67.05492	7.0
69.03436	3.6
69.07069	2.6
70.89624	3.1
77.03943	1.7
79.05482	6.1
79.65898	1.4
81.07059	5.8
83.04987	56.2
85.02884	2.0
91.05498	8.8
93.03385	2.4
93.07050	37.7
95.04951	7.6
95.08607	25.6
97.06535	6.2
98.21471	2.0
105.07047	8.7
107.04976	5.8
107.08607	16.0
109.06506	5.8
109.10143	4.0
111.04432	2.4
111.08082	47.2
117.06953	2.3
119.08604	10.3
121.02866	8.9
121.06519	33.9
121.10148	8.3
123.08069	23.0
125.09642	12.1
129.06947	1.5
131.08574	4.0
135.04440	2.8
135.08070	6.7
135.11703	12.3
137.05974	5.7
137.09621	7.8
139.07556	20.4
144.09370	2.3
145.10144	9.6
147.08029	12.6
149.02356	10.4
149.05991	3.3
149.13214	1.8
159.08041	2.6
159.11681	17.9
161.13266	5.0
163.03859	4.3
163.11189	14.8
165.09135	26.2
167.03476	9.6
167.07036	2.1
172.08842	5.2
176.84401	1.6
177.12770	14.0
181.04965	24.2
181.12273	15.5
187.11189	22.1
195.13835	8.7
205.12228	38.8
223.05951	2.8
223.13310	100.0
226.56689	1.6
233.18164	1.6
241.07544	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44750	3.0
55.05503	7.0
56.96556	4.4
60.32618	3.2
67.05497	8.7
69.07062	11.0
69.82073	16.2
71.04996	20.5
79.05482	14.5
81.07065	100.0
82.03705	2.9
83.04981	9.2
85.06553	3.0
89.82491	3.1
91.05449	3.7
93.07056	3.6
95.04984	4.6
95.08608	5.0
96.18581	3.4
97.06512	4.6
98.20850	5.6
98.21402	4.8
98.97597	5.8
105.07040	3.2
107.08611	15.7
108.13251	2.4
109.10166	22.2
111.08047	5.6
111.11737	6.8
121.02872	3.0
121.06500	3.5
121.10143	5.2
123.11711	27.5
137.09641	3.0
139.11206	17.0
149.02377	6.6
151.11195	28.5
157.12218	9.8
169.12270	31.2
181.04898	5.4
187.13300	16.9
193.63882	2.7
195.58006	3.3
204.58473	6.8
213.59003	9.8
223.06015	9.7
225.04369	5.2
237.02556	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	223.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.3
55.01874	7.0
55.05502	11.5
56.05009	3.1
56.96570	42.2
57.03429	8.1
57.07063	4.7
59.05005	3.8
61.02921	12.9
65.03942	6.3
67.05501	13.7
68.58795	3.3
69.03422	16.0
69.07057	14.3
70.06574	11.9
70.23175	8.7
71.05006	22.8
73.02923	8.6
77.00909	4.2
79.05511	22.9
81.03432	5.3
81.04524	6.3
81.07066	100.0
81.07493	3.6
82.01428	9.8
83.04999	18.0
83.08608	4.4
84.08142	7.1
85.02898	15.4
85.06548	6.8
86.09682	8.5
91.02464	4.2
91.05492	25.9
93.07043	18.7
95.04984	9.8
95.08601	13.7
97.02874	14.7
97.06512	10.0
98.97015	6.3
98.97594	86.7
99.04474	8.5
99.97928	8.2
100.02500	16.6
101.00901	25.9
102.96868	7.1
103.03952	4.7
103.05456	4.0
107.04951	14.5
107.08623	17.6
109.02871	5.3
109.06516	15.9
109.10159	26.2
110.97563	10.1
111.02077	7.1
111.04462	6.7
111.08129	6.8
111.11738	5.5
112.99153	8.3
113.05996	5.9
114.04062	10.5
115.02444	7.8
116.98642	25.0
117.07000	6.4
118.03502	4.1
119.01944	29.2
119.04894	4.4
119.08604	3.9
120.02590	9.1
120.08089	4.3
121.02872	13.1
121.06535	39.7
121.10133	5.3
122.04945	5.3
122.06890	7.2
122.55011	7.4
123.08036	6.2
123.11682	21.7
124.99165	3.6
125.05360	5.0
125.55614	5.2
126.04008	5.0
127.00706	3.9
127.03895	5.0
128.07104	5.3
128.98598	10.4
129.03116	9.6
129.07401	8.1
131.00172	6.7
131.01903	10.6
131.05461	10.0
131.55595	15.4
132.05057	10.1
133.03435	14.7
134.99631	5.8
135.04395	11.0
135.10144	4.1
137.05988	38.5
138.06281	3.8
139.07608	4.5
139.11188	10.1
140.98567	3.9
141.05429	3.6
143.00121	6.4
143.01889	9.4
145.01656	4.6
145.02760	4.1
145.06693	3.3
146.99654	8.1
147.04404	8.4
149.02324	31.1
150.04260	3.4
151.11180	18.5
152.56075	4.7
153.05478	4.1
154.03482	3.7
157.03499	20.8
157.07675	3.9
157.12210	10.3
157.97583	4.3
158.06010	6.8
158.56078	6.9
158.99661	24.4
159.01401	5.0
159.11714	3.6
160.06580	5.4
161.01205	6.3
161.02957	10.4
163.03937	13.5
163.11234	5.4
165.06691	3.9
167.03394	4.6
167.07071	4.6
168.01445	4.6
169.12250	22.7
173.01242	5.3
173.56628	5.0
175.02974	4.7
175.04532	10.9
177.00705	26.6
177.02443	21.5
177.05484	7.0
177.07736	7.5
177.09193	6.3
179.04680	3.9
181.04951	34.3
184.07278	5.2
187.04404	8.3
187.13309	13.3
189.07704	4.2
189.57932	12.4
190.02594	4.6
191.03377	11.7
195.03535	5.8
195.58005	11.9
200.02255	5.5
200.04034	37.0
204.58563	34.7
205.05551	17.3
205.08519	13.5
205.10860	19.2
205.12474	5.5
213.59058	40.9
214.08977	13.7
218.05215	19.9
222.59509	11.5
223.06369	82.4
223.09506	6.7
223.13249	6.2
225.04335	18.8
239.04402	10.6
240.04715	5.1
241.07664	10.8
243.09024	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	224.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96385	9.8
55.01859	28.2
56.05021	13.1
56.96560	30.7
57.03445	48.0
60.04519	10.2
60.92666	8.4
61.02934	76.0
62.06106	16.6
66.52950	10.3
67.05495	16.6
69.03419	34.9
69.29881	83.5
70.06579	16.9
71.01333	15.2
73.02921	56.4
74.06074	29.3
79.05463	11.1
81.03423	17.7
83.04981	17.8
84.04501	15.1
84.08140	28.2
85.02913	65.1
86.02447	9.9
86.06063	25.6
87.04466	26.1
91.05486	13.2
95.01349	9.6
95.08561	10.1
97.02899	20.2
98.01289	25.8
98.51487	19.7
98.97602	50.9
98.98169	10.6
101.00851	25.7
101.02382	37.1
102.00954	19.0
102.01649	11.7
102.02362	13.0
105.07014	10.6
107.01803	13.3
111.02071	11.4
111.04427	11.6
113.02341	28.0
115.03926	60.6
116.98594	25.5
119.01902	53.8
120.02573	32.6
120.03380	8.8
120.52749	22.7
127.03963	11.1
129.01866	100.0
129.03094	71.5
129.10233	12.6
129.53288	69.8
132.08093	45.6
133.04945	12.3
143.01909	16.0
143.03401	38.3
157.01355	56.3
158.03587	13.5
158.97235	73.0
161.04504	62.0
162.53815	11.2
164.07047	14.9
165.05519	17.4
169.01628	16.8
169.03392	11.9
170.53584	14.4
171.01456	12.3
176.04666	10.7
176.98286	35.6
178.08623	55.2
183.04985	16.5
189.02414	15.8
189.03952	83.4
192.05518	37.8
200.98366	16.5
201.02443	38.0
201.04285	21.8
201.06117	23.3
206.08243	11.0
214.54366	38.5
218.99399	29.1
224.06766	68.3
224.09279	23.0
224.13034	11.7
225.06505	11.6
226.04236	16.3
239.04358	21.4
242.07962	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	224.0919
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
52.26469	0.6
53.03937	0.9
55.01882	1.5
55.05507	1.6
56.05040	0.7
56.96567	9.2
57.03433	1.9
57.07064	0.6
60.04511	0.5
61.02924	1.3
62.06083	1.4
67.05511	2.9
69.03442	3.6
69.07078	1.0
69.54813	0.6
70.06591	1.1
70.98075	0.7
70.98397	1.2
71.01339	0.9
71.05013	0.9
72.08183	1.1
73.02926	3.6
74.06079	1.9
75.34772	0.7
76.03979	0.6
79.05494	5.4
81.03410	2.1
81.07053	2.5
81.39127	0.5
84.04500	0.9
84.08143	4.4
84.96038	1.8
85.02908	4.3
85.06540	1.8
86.09682	1.6
87.04478	1.3
91.05489	4.3
93.07048	3.2
93.80100	0.6
94.06567	1.0
95.04964	2.4
95.08613	2.2
96.01582	0.7
97.02915	3.7
97.06530	0.6
98.97594	22.4
99.04469	0.7
103.05485	5.6
105.07034	21.1
107.04956	5.0
107.08598	4.3
109.02920	0.8
109.06525	1.9
109.10149	1.8
110.97601	2.9
111.08050	1.3
114.05555	0.8
115.03968	0.5
115.05454	1.5
116.98627	9.3
117.03307	0.7
117.05765	5.9
119.01804	2.4
119.04957	1.0
119.07339	2.9
120.08129	1.4
121.06506	3.2
123.04466	0.9
123.08066	2.5
124.07610	0.9
125.05973	0.8
127.03911	1.6
128.02310	3.2
128.98642	3.2
129.10246	2.3
130.06528	5.5
131.00197	0.8
131.04918	2.2
132.08095	91.0
133.06488	1.6
134.99660	3.4
135.08060	2.6
136.06152	1.4
136.07382	0.5
137.02853	0.9
137.05959	1.2
139.03889	2.1
140.98529	0.8
143.00150	1.9
145.02757	0.9
145.05066	0.6
146.99655	2.5
147.04433	1.3
149.01225	0.7
149.05977	1.8
150.09157	1.9
151.03957	1.2
151.07523	1.6
155.00212	0.6
155.07051	1.3
158.99683	7.4
160.08847	0.7
161.01181	1.7
161.02771	1.0
161.05954	0.9
163.96805	0.8
164.04263	0.7
164.07050	1.6
165.05421	1.3
167.04713	0.8
167.07024	2.2
169.08601	1.3
170.99690	1.5
172.03897	0.9
173.01190	0.9
175.03941	1.4
177.00700	6.6
177.05544	0.6
178.08640	100.0
179.06976	1.5
179.08990	0.6
182.05316	1.7
182.99701	1.4
184.54045	0.7
186.05418	1.1
187.04361	3.4
189.00636	1.6
190.86554	0.6
193.04347	1.3
194.05168	1.8
201.00755	3.1
201.04066	1.1
206.05202	0.7
206.07915	0.7
206.12152	0.5
207.06625	1.4
208.04941	2.9
215.05812	1.0
217.05502	0.9
218.99828	0.6
219.01639	3.3
224.06302	4.0
224.09126	11.2
224.11047	0.8
224.12976	3.7
233.06761	1.1
237.02699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67520	13.6
82.99865	5.3
95.10232	2.0
98.20786	2.8
101.00889	60.7
103.93731	2.1
119.01929	100.0
124.01637	2.4
124.02468	8.6
127.14760	2.0
131.80273	2.0
137.02953	17.4
138.44919	2.1
142.03514	72.0
143.01849	3.3
158.99927	6.3
160.04601	10.5
161.02974	38.1
165.05197	3.2
177.00969	23.8
179.04019	41.0
184.04605	5.9
190.49423	2.7
199.50032	3.1
201.00931	3.7
202.05632	3.9
217.03923	3.5
219.01997	22.0
225.00807	3.2
243.02048	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	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01873	3.1
56.96562	7.6
57.03442	6.7
58.52455	2.1
61.02922	3.4
67.05496	2.8
69.03437	10.2
69.45644	18.2
70.06598	3.9
70.98130	3.1
73.02921	8.5
79.05504	3.4
82.99839	3.4
83.04945	3.1
84.04498	3.3
84.30762	2.2
84.96048	4.4
85.02895	11.0
89.03935	2.6
91.05484	4.3
93.07101	3.2
95.04980	8.9
97.02901	5.8
98.97606	8.1
101.00896	57.7
102.02254	4.0
102.96836	2.8
103.00658	5.7
103.05486	3.3
107.04987	3.8
110.97588	2.7
116.98599	4.2
119.01925	100.0
121.01614	3.1
121.06535	23.0
124.02465	9.4
127.03943	3.1
131.01907	5.2
135.04416	2.7
137.02995	13.0
139.02403	4.2
139.03897	6.9
142.03514	63.0
143.01845	12.9
144.03519	2.5
145.01602	5.6
145.03453	4.1
146.64484	2.6
150.05527	3.5
151.03972	5.6
152.01355	2.4
155.01968	2.7
156.03368	3.9
157.03477	5.1
159.03294	4.8
160.04614	13.4
161.02957	39.0
162.03148	3.7
163.03946	12.8
165.05482	5.7
166.03433	3.7
169.03535	4.9
170.01196	2.9
173.02951	3.9
179.02429	5.3
179.04015	39.0
184.04562	19.9
185.02986	5.4
192.55737	6.5
193.05493	6.0
201.00728	3.7
201.02469	3.7
202.03958	4.7
202.05740	8.2
203.04037	6.6
207.05183	2.8
223.06789	3.0
225.06236	16.3
225.12430	3.9
243.11115	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	225.0759
Annotation	Sepedonin
Peak:m/z	Relative Intensity
53.03942	3.7
53.09958	1.0
55.05505	1.3
57.07041	1.1
57.57973	1.0
59.04985	1.2
65.03949	4.1
67.05503	5.5
71.04978	1.1
71.13416	1.4
77.03913	1.9
79.05492	6.6
81.03404	1.6
81.07053	5.1
83.04995	2.1
85.02901	2.5
85.06556	1.3
90.04694	1.3
91.05488	38.2
93.07051	1.9
94.04173	1.6
95.01329	1.9
95.04977	39.1
95.08626	2.4
99.04475	4.0
103.05412	1.4
105.03380	3.7
105.04511	2.2
105.07019	1.5
106.21198	1.1
107.04935	1.5
107.08604	2.3
109.02920	1.3
109.06530	4.7
111.04443	2.3
111.08068	1.9
117.03371	1.3
118.04172	2.3
119.04951	40.7
119.08607	2.1
121.06478	1.1
121.10172	1.0
123.00797	3.9
123.04405	11.7
123.08060	2.5
123.11671	2.6
127.03932	1.5
127.07583	2.0
132.02074	2.8
133.02863	2.5
135.04419	2.4
137.05984	4.6
139.03908	50.8
146.03583	1.1
147.04413	31.0
147.05519	2.2
147.11790	2.1
149.02341	6.7
149.09633	1.9
150.03105	1.2
151.03915	54.5
151.07632	1.3
151.11198	1.2
153.05458	1.5
155.07008	1.7
157.03981	2.7
160.98601	1.1
161.13278	1.5
163.03935	1.7
163.52762	1.2
164.04697	4.3
165.05489	100.0
175.03917	53.6
177.01802	1.1
179.07066	3.5
180.04153	1.7
181.04955	2.4
183.06522	9.2
192.04158	15.2
193.04970	4.9
197.07964	1.4
207.06549	85.4
207.13849	2.2
212.26595	1.2
225.07561	9.5
225.14926	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Sinapate
Peak:m/z	Relative Intensity
50.92627	0.6
52.07522	0.5
53.03939	3.2
55.01878	1.3
55.05518	2.4
57.03444	0.8
57.07067	0.6
59.05010	0.8
65.03963	1.5
67.05513	4.2
68.99811	0.9
69.03431	1.4
70.95053	1.4
71.01336	0.7
71.04999	1.1
77.03946	1.0
79.05493	7.0
81.03418	1.5
81.07059	10.2
83.04984	1.9
85.02902	1.6
85.06559	0.9
89.03919	0.8
91.05484	28.3
93.03400	0.8
93.07043	3.6
94.04195	2.4
95.01328	1.5
95.04972	24.9
95.05565	1.3
95.08620	1.1
97.02885	1.1
97.06537	1.2
99.04459	3.1
103.05416	0.8
105.03403	3.8
105.04523	1.1
105.07031	2.3
107.04947	2.7
107.08604	2.1
109.02914	1.4
109.06516	18.0
111.04465	1.0
115.89706	0.6
116.98656	0.6
117.70105	0.7
118.04173	1.0
119.04949	26.3
119.08559	2.0
121.02926	0.8
121.06542	1.4
121.10168	1.5
123.00800	2.4
123.04437	9.4
123.08057	1.8
127.03912	6.4
127.07547	1.8
133.02835	1.4
135.04428	2.3
135.08080	2.7
137.05984	14.5
137.09663	0.7
139.03900	23.2
141.05521	1.1
147.04422	21.4
147.11661	1.0
149.02336	2.8
149.06006	1.4
149.09653	1.2
151.03911	33.5
151.07510	3.3
155.07033	5.1
157.03944	1.3
161.13239	1.2
163.03944	1.9
163.11168	0.7
164.04662	1.2
165.05482	100.0
165.12759	0.9
166.05884	1.1
167.07025	0.7
167.10603	1.1
175.03920	15.3
179.07036	8.3
180.04181	1.9
181.04955	2.8
181.08598	1.4
183.06549	6.3
183.13782	0.6
189.12669	1.0
192.04167	3.8
193.04974	16.8
197.08083	1.7
207.04556	1.1
207.06532	22.1
207.13748	1.4
211.06030	4.4
225.07559	31.3
225.14914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	Calaminthone
Peak:m/z	Relative Intensity
53.03950	3.1
53.29619	0.5
55.01842	0.7
55.05500	1.8
59.04992	1.0
65.03940	1.1
67.05506	7.2
67.76739	0.6
68.02651	0.9
69.85146	3.3
71.05003	4.4
77.03922	1.7
79.05497	7.6
81.03406	2.1
81.07059	3.9
81.18420	0.6
83.05006	3.9
84.06949	0.5
85.06535	2.2
91.05491	4.0
93.07027	1.3
94.04192	1.8
95.01342	1.8
95.04975	29.4
95.08608	2.5
97.06535	1.8
105.03380	2.7
105.04539	0.8
107.04967	1.9
107.08571	0.8
109.02862	3.9
109.06527	9.9
111.04450	8.1
111.08091	1.3
115.98139	0.6
119.04975	2.0
119.08601	0.8
121.02868	1.2
121.10146	1.4
123.00814	3.9
123.01583	0.6
123.04427	11.8
123.08053	1.0
127.03931	1.1
127.07567	3.2
133.02858	1.3
135.04428	1.4
135.11665	0.8
137.05998	6.3
139.03912	67.5
141.05507	1.1
147.04453	0.9
149.02348	2.6
150.03279	0.7
151.03914	69.6
153.05505	3.5
155.06999	1.5
163.03908	1.4
165.05487	100.0
169.05048	1.1
175.03870	1.4
180.42412	0.7
181.04985	4.1
183.06540	20.2
193.04984	9.0
197.08159	3.2
207.06578	2.3
225.07599	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Calaminthone
Peak:m/z	Relative Intensity
53.03944	4.5
55.01858	0.7
55.05507	1.2
59.04995	1.5
59.32287	0.5
59.38086	0.6
60.94106	0.6
62.82280	0.6
65.03922	1.0
67.05504	5.9
69.95521	2.2
71.04984	2.8
77.03925	1.7
79.05499	5.7
81.03432	0.9
81.07063	3.0
83.04964	2.8
85.02887	0.8
85.06528	2.5
91.05468	3.7
93.07022	1.0
94.04158	0.9
95.01324	1.0
95.04974	39.3
97.06516	1.1
99.60241	0.5
105.03380	2.3
105.04520	1.1
105.44572	0.6
107.04963	1.2
109.02886	2.5
109.06529	7.5
111.04433	5.4
119.04969	1.4
121.02914	0.9
123.00823	3.9
123.04436	13.5
124.00538	0.6
127.03846	0.7
127.07533	3.2
133.02829	1.4
135.04420	1.3
137.05959	4.4
139.03908	76.8
141.05478	2.4
147.04439	1.8
149.02350	1.4
149.05943	0.8
151.03909	66.7
151.11191	1.5
153.05418	1.7
155.07056	1.5
163.03963	0.6
165.05484	100.0
175.03944	0.9
181.04942	3.0
183.06538	15.0
191.51538	0.7
193.04984	7.1
197.08075	1.3
207.06638	1.3
225.07588	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	225.0758
Annotation	Calaminthone
Peak:m/z	Relative Intensity
51.02389	0.6
53.03945	3.0
55.01876	0.5
65.03944	1.0
67.05505	3.6
69.34453	0.9
69.34863	2.3
71.01369	0.5
71.84750	0.4
75.04492	1.1
77.03551	0.5
77.03952	1.7
79.05496	3.6
79.39603	0.4
81.07075	1.3
91.05483	4.9
91.98263	0.4
94.04218	1.1
95.01349	0.7
95.04973	50.8
97.02895	0.4
103.03928	0.6
103.05463	0.6
105.03431	2.4
105.04509	0.7
107.04953	0.8
109.02864	0.4
109.06519	2.5
114.55680	0.4
119.04945	4.6
121.06474	0.6
122.03610	1.0
123.00774	2.1
123.04434	18.1
133.02863	2.3
135.04399	1.3
137.05995	3.7
139.03899	3.1
147.04376	4.1
151.03911	70.4
155.03337	0.4
165.05482	100.0
169.05103	0.5
175.03958	3.0
183.06526	4.1
193.05011	4.2
214.59366	0.4
225.07559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	Calaminthone
Peak:m/z	Relative Intensity
53.03949	5.4
55.05507	1.0
57.14942	0.9
65.03938	0.8
67.05505	8.3
69.69598	2.0
69.70016	3.3
71.01345	2.4
71.04991	1.4
75.04469	1.5
77.03926	1.8
79.05505	3.9
81.03426	1.6
81.07056	3.3
83.04997	1.7
85.02884	0.9
85.06493	0.9
91.05483	6.9
93.07047	1.6
95.01339	2.3
95.04974	100.0
95.08613	2.3
97.02914	0.8
97.06521	1.1
98.97585	4.8
99.04443	1.1
103.05476	1.0
105.03407	1.8
105.04516	1.6
105.07014	2.2
107.04921	1.0
107.08595	1.7
109.06539	4.4
116.98637	1.1
119.04932	7.9
119.08582	1.8
121.02834	1.0
121.06504	2.1
121.10165	1.7
123.00819	5.8
123.04439	31.1
123.08072	3.0
127.07542	1.2
133.02823	1.7
135.04378	0.9
137.06003	5.1
139.03906	15.9
139.04901	1.4
141.09157	2.3
147.04410	5.8
149.09622	4.8
151.03912	97.8
158.99704	0.8
161.13290	0.9
165.05486	84.4
166.05823	1.0
166.56381	0.7
175.03917	6.2
183.06572	4.0
189.12715	2.9
193.05002	6.8
207.13776	6.1
213.39352	0.8
225.07353	0.8
225.09286	0.9
225.14813	1.7
228.07263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	Sparanone A
Peak:m/z	Relative Intensity
53.03952	1.4
53.84117	0.2
55.05505	0.3
57.58438	0.2
59.04998	1.1
59.60556	0.2
65.03938	0.3
67.05505	3.6
68.02664	0.3
69.03394	0.2
70.85358	0.3
70.85686	0.4
71.04984	0.8
77.03925	0.4
79.01846	0.5
79.05495	0.5
80.02667	0.3
81.03411	0.4
81.07056	0.7
83.04983	1.7
85.06550	1.1
89.50431	0.2
91.05495	0.5
91.61555	0.2
93.03418	0.4
95.01334	1.7
95.04972	25.1
101.95035	0.3
105.04519	0.7
107.04917	0.3
109.02872	0.7
109.06522	1.1
111.04449	4.3
113.06080	0.3
121.02887	0.5
123.00797	5.1
123.04434	5.9
127.03923	1.1
127.07570	6.0
137.05991	0.7
139.03906	100.0
140.04219	0.7
141.01776	0.3
141.05446	1.1
147.04352	0.3
149.02338	0.3
149.09656	0.4
151.03908	2.5
153.05540	0.3
155.07034	0.9
165.05492	2.8
181.04877	0.3
183.06532	6.3
189.12665	0.3
193.04988	3.2
197.08119	0.7
207.13893	0.3
225.07584	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	225.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
67.05505	6.8
71.15932	1.5
75.04474	1.8
77.03918	2.0
79.05496	4.2
81.03394	1.4
81.07037	2.1
81.61669	0.8
83.04969	1.8
91.05479	4.2
93.75356	0.7
94.04179	1.1
95.04980	67.5
95.08603	2.2
97.06511	1.1
99.93139	0.8
105.03391	2.2
105.04510	1.1
105.07043	1.2
107.04959	1.5
107.08599	1.4
109.06529	3.4
111.04458	1.1
119.04960	1.2
119.08591	2.3
121.10139	1.5
123.00811	1.3
123.04443	20.0
123.08067	2.7
123.11698	0.8
127.07552	1.0
133.02850	3.5
133.10065	1.0
135.04451	1.0
137.05995	4.4
139.03903	16.5
141.09135	1.7
147.04416	2.1
149.09633	5.3
151.03917	87.2
161.13269	0.8
165.05493	100.0
183.06535	2.9
189.12776	2.2
193.04962	3.4
207.13844	4.0
225.05476	1.1
225.14929	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Calaminthone
Peak:m/z	Relative Intensity
50.03636	0.4
53.03948	2.9
53.45478	0.4
55.05504	0.8
60.36846	0.4
64.02542	0.4
65.03920	0.8
66.58918	0.4
67.05506	5.6
69.91515	1.9
71.04977	1.0
77.03942	0.8
79.05491	7.4
81.03426	0.8
81.07046	2.8
83.04971	1.4
83.08665	0.5
85.02908	1.9
85.06561	0.5
91.05482	6.7
93.07043	1.2
94.04176	1.6
95.01310	0.6
95.04974	38.0
95.08575	1.3
97.02882	0.8
97.06531	0.7
98.20692	0.6
99.04446	0.7
101.95028	0.6
105.03407	3.5
105.04504	1.3
105.07044	1.3
107.04947	1.6
107.08620	0.9
109.06522	5.3
109.10148	0.6
111.04442	1.7
113.06034	0.6
119.04940	3.0
119.08578	0.8
121.02872	0.7
121.06483	1.3
121.10146	1.5
122.03671	0.5
123.00830	1.1
123.04433	14.3
123.08078	2.3
123.11665	0.5
125.02399	0.6
127.07579	1.2
133.02841	1.8
133.10136	0.8
135.04434	3.2
137.05988	3.0
139.03911	32.0
141.09079	1.1
147.04439	2.7
147.11659	1.0
149.02385	2.4
149.09654	2.2
150.03143	1.4
151.03909	44.7
151.07559	1.4
152.04231	0.6
161.13231	0.8
165.05484	100.0
166.05782	0.9
175.03903	1.3
175.78914	0.4
179.07031	0.9
180.52649	0.4
181.04967	1.4
183.06540	4.8
189.12767	1.6
193.04945	3.8
197.08041	0.4
207.06554	1.3
207.13811	3.9
225.07506	3.5
225.14861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1124
Annotation	Erigerenone C
Peak:m/z	Relative Intensity
51.02377	1.0
53.03948	5.0
55.01880	4.4
55.05513	6.7
56.96566	2.0
57.03443	6.0
57.07062	1.3
57.64441	0.8
59.04998	1.2
61.02918	2.2
65.03932	1.4
67.05508	14.5
69.03434	30.4
69.07069	6.8
71.01334	2.5
71.04994	6.7
71.08603	1.2
71.56023	1.1
73.02875	1.1
77.03894	1.2
79.05067	1.3
79.05495	20.1
81.03419	10.5
81.07058	17.7
83.01315	1.1
83.04986	19.8
83.08598	1.6
85.02898	8.5
85.06523	3.1
87.04485	1.8
91.05483	27.2
93.07050	28.7
95.04977	53.0
95.08612	13.6
97.02922	9.0
97.06549	6.1
98.97580	8.1
99.04459	10.6
99.08102	1.1
101.02332	1.1
103.03931	2.4
103.05486	2.4
105.03379	3.0
105.04514	1.8
105.07035	23.9
107.04963	5.7
107.08599	19.3
109.02899	1.3
109.06529	17.5
109.10153	7.4
111.04475	6.8
111.08079	4.4
115.03944	2.3
115.05431	2.8
116.98575	1.7
117.07018	6.6
119.01934	1.1
119.04950	11.0
119.08587	21.5
121.06517	17.5
121.10136	7.5
123.00803	1.0
123.04433	11.6
123.08076	17.0
123.10003	1.0
123.11702	1.6
125.02334	1.1
125.05972	3.8
125.09621	1.3
127.03914	1.2
127.07533	3.8
128.06227	5.5
129.05476	2.7
129.06982	3.7
131.08568	9.6
133.02866	1.2
133.06532	5.3
133.10133	12.7
135.04393	1.3
135.08055	17.9
135.11635	1.3
137.05998	6.6
137.09630	7.4
139.03920	8.2
139.07536	4.0
139.11171	1.1
141.05438	1.2
143.08560	9.1
145.06461	3.4
145.10100	2.4
147.04424	13.3
147.08066	13.4
147.11649	3.4
149.05992	2.9
149.09634	9.7
151.02736	2.0
151.03915	35.1
151.07584	4.2
151.11197	2.5
153.09122	1.1
155.07043	2.8
155.08499	1.7
158.99654	1.8
159.08076	3.2
161.09647	13.0
161.13251	3.0
163.07549	3.6
163.11205	10.9
165.05486	67.3
165.09140	10.1
165.12804	1.4
167.07101	1.5
167.08470	1.1
167.10666	3.7
171.08046	2.6
171.11713	0.9
175.03955	1.0
177.00642	1.2
177.09171	4.9
179.07018	1.2
179.10692	4.2
179.14360	1.5
181.08595	1.1
181.10207	0.9
181.12183	1.9
183.06502	2.1
183.08008	1.7
183.13681	1.1
189.09129	10.4
189.12740	3.7
193.04907	2.7
195.07883	1.1
195.10129	1.5
197.13284	1.5
204.07726	2.8
207.06534	1.8
207.10175	13.5
207.13802	21.2
210.10376	1.0
213.08250	2.4
225.07455	2.5
225.11134	100.0
225.14825	10.8
226.11110	0.9
239.04391	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1123
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
53.03951	4.3
55.01863	2.2
55.05513	4.5
55.66114	0.7
56.96566	4.2
57.03429	1.4
57.07051	0.6
59.05009	0.7
61.02888	0.7
65.03944	1.7
65.39203	0.5
67.05180	0.7
67.05511	11.9
69.03433	5.7
69.07063	2.0
70.95966	1.3
70.96317	0.7
71.05001	6.7
73.02946	0.6
75.04463	1.3
77.03917	1.4
79.05059	1.0
79.05498	16.6
81.03396	1.7
81.07065	20.2
83.04993	2.8
83.08629	0.9
84.96022	2.1
85.02904	2.6
85.06536	3.2
87.04459	1.2
91.05483	20.5
93.07050	21.0
94.04167	0.9
95.01289	0.8
95.04974	51.5
95.08613	9.2
97.02893	9.3
97.06505	2.8
97.64948	0.5
98.97590	7.4
99.04465	12.1
101.95028	1.2
103.05479	0.9
105.03420	3.9
105.04525	3.0
105.07036	41.3
107.04965	4.5
107.08600	15.6
109.02859	0.7
109.06527	11.4
109.10143	3.3
110.97561	1.4
111.04472	3.1
111.08089	3.0
113.05991	1.5
115.05489	1.2
116.98600	1.9
117.06988	0.9
119.04950	5.3
119.05728	0.6
119.06132	0.7
119.08601	6.5
121.02834	0.6
121.06534	4.6
121.10144	4.8
123.00825	0.9
123.04433	17.7
123.08081	8.6
123.11719	2.2
125.06006	1.9
127.07534	1.7
128.06233	3.2
128.98627	1.9
129.07031	0.8
131.08574	3.0
133.02867	1.6
133.06496	6.1
133.10139	38.8
135.04440	3.0
135.08067	1.4
135.11681	2.4
137.05992	9.3
137.09590	1.7
139.03912	32.0
141.06975	1.0
141.09109	4.9
142.07825	0.7
143.08571	5.4
144.98117	0.6
145.06526	1.5
145.10132	4.4
146.07243	2.8
146.99686	1.4
147.04405	3.4
147.08054	1.7
147.11673	2.7
149.02342	2.1
149.09645	9.8
149.10773	1.2
151.03912	57.7
151.07532	5.9
151.11179	3.1
155.07101	0.6
158.99637	1.1
159.08089	1.1
159.11699	0.7
161.09631	35.5
161.13261	2.3
163.11165	6.4
165.05487	100.0
165.12749	1.5
166.05870	0.8
167.10683	0.7
169.08572	1.6
170.99655	0.9
171.08055	1.8
171.11742	0.7
174.06819	1.1
175.03932	2.3
177.00717	1.3
179.07091	0.9
179.10699	9.3
179.14279	1.0
181.04959	1.0
183.06577	3.9
187.11150	1.5
189.09100	8.6
189.12801	5.8
191.14336	0.6
193.04964	4.0
195.08138	0.7
197.08075	0.6
199.28619	0.6
207.06531	2.2
207.10190	1.6
207.13815	10.6
225.07480	3.7
225.09343	1.9
225.12950	1.1
225.14639	2.8
237.02705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24289	1.8
53.03943	3.8
55.01862	6.7
55.05505	8.2
56.99836	1.8
57.03432	1.9
59.05012	2.3
67.05508	10.8
69.03446	11.6
70.33377	4.1
70.33742	4.2
71.05002	17.8
79.05497	23.8
80.33353	1.7
81.03429	1.9
81.06582	2.7
81.07065	49.6
83.04980	17.2
85.06550	4.0
87.78620	1.9
91.05496	41.2
93.07058	42.1
93.37781	1.8
95.04977	13.4
95.08620	31.5
97.02908	21.1
97.06546	15.5
99.04469	25.0
105.03431	2.6
105.07044	100.0
107.04974	5.8
107.08604	38.2
109.06524	31.9
109.10203	3.1
111.04424	4.3
111.08099	9.4
113.05982	3.0
117.07044	2.8
119.04970	5.6
119.08606	18.7
121.06512	9.8
121.10142	18.0
123.04431	3.9
123.08089	49.7
123.11696	6.7
125.06030	2.3
128.06195	6.2
131.08575	5.5
133.06526	15.1
133.10146	92.9
135.08076	3.3
135.11732	3.8
137.05992	14.5
137.09645	6.7
139.03905	13.0
141.09128	50.0
143.08571	14.6
145.10097	4.2
146.07246	3.9
147.08069	6.1
147.11667	5.8
149.09633	86.0
151.03906	7.1
151.07545	30.3
151.11192	9.6
156.09396	2.8
161.09639	84.7
161.13304	11.1
163.11221	10.3
165.05478	17.3
165.09102	3.7
165.12808	5.6
169.08626	14.3
171.08165	2.4
171.11676	7.3
173.21214	2.0
179.10707	24.9
183.06438	2.9
189.09128	17.5
189.12766	55.0
207.13821	96.1
215.44818	1.8
225.11217	4.3
225.14844	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03941	2.5
54.71028	0.7
55.01859	1.4
55.05500	3.0
56.96557	1.0
57.03435	1.7
57.07080	1.1
65.03938	1.6
67.05222	0.8
67.05513	7.2
69.03432	4.0
69.07052	2.5
71.05012	3.5
71.56052	0.9
77.03925	1.4
78.04735	0.9
79.05500	9.9
81.03403	1.3
81.07069	7.6
83.04991	5.2
83.08640	1.0
85.06533	2.9
91.05487	10.3
93.07055	14.9
94.04183	1.7
95.01333	1.2
95.04365	1.7
95.04977	35.2
95.08610	6.7
97.06517	2.8
98.97605	1.0
99.04465	5.1
105.03384	2.6
105.04506	1.1
105.07040	8.0
107.04932	2.3
107.08605	18.6
109.02863	1.5
109.06527	9.4
109.10170	4.0
111.04462	4.2
111.08058	2.1
117.03412	0.8
117.07005	1.6
119.04961	2.1
119.08601	11.1
121.02891	1.6
121.06514	4.9
121.10152	14.8
123.00789	2.8
123.04443	11.5
123.08076	13.6
123.11704	1.4
124.99155	0.9
125.06005	3.1
125.09641	1.7
127.07568	3.2
128.06232	1.0
131.08551	2.1
133.02866	2.2
133.06468	1.2
133.10126	3.3
135.04448	0.9
135.08060	8.7
135.11699	7.0
137.05981	6.2
137.09625	7.2
139.03914	55.7
139.07504	1.0
141.05597	0.8
141.09100	0.8
143.08531	1.2
143.13162	0.8
145.02852	1.0
145.10141	3.4
147.04420	2.3
147.08044	4.1
147.11678	6.3
149.02434	1.0
149.09619	9.8
149.13297	1.1
151.03920	51.4
151.07516	4.6
151.11122	1.2
153.05511	0.8
159.08052	1.0
159.11711	1.0
161.09630	1.9
161.13249	4.1
163.03897	0.7
163.11217	10.6
165.05489	100.0
165.09140	8.3
165.12766	2.7
167.10724	6.1
169.08685	0.7
171.11748	1.1
175.03957	1.6
177.05498	3.0
177.12756	4.0
179.10655	1.2
181.04974	3.1
181.12225	9.0
183.06613	8.1
189.09131	1.2
189.12717	4.6
193.05017	5.0
195.13962	0.9
197.08112	1.2
207.06612	1.8
207.10185	1.6
207.13823	9.1
220.44562	0.7
225.05612	1.2
225.07593	6.1
225.11038	14.8
225.14772	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	Apiosporic acid
Peak:m/z	Relative Intensity
53.03941	8.8
55.01869	9.6
55.05506	14.0
56.05030	6.9
57.03432	10.7
57.07075	5.8
59.79000	2.6
63.66918	2.8
67.05506	39.6
69.03440	26.1
69.07081	16.6
70.06592	14.1
70.31010	9.7
71.04997	25.3
79.05495	21.4
79.53951	3.2
81.03406	6.6
81.07063	37.0
83.04989	18.2
83.08622	7.3
84.08165	20.6
85.02913	9.6
85.06504	7.2
86.06083	4.5
86.80983	3.2
91.05483	35.9
91.95845	3.1
93.07051	47.5
95.04977	93.5
95.08619	50.3
97.02895	7.8
97.06541	14.7
98.21275	5.9
99.04462	42.3
105.03413	4.9
105.07034	52.0
107.04967	10.5
107.08610	54.9
109.03014	3.8
109.06519	37.1
109.10167	25.4
111.04450	10.7
111.08128	5.9
114.05553	12.9
115.05479	3.6
117.06963	4.2
119.04954	11.9
119.08599	58.1
121.06506	20.7
121.10147	47.6
123.04454	29.9
123.08073	45.4
123.11720	12.0
125.05998	7.4
125.09630	5.5
129.06975	3.8
131.08562	9.1
133.06514	8.4
133.10138	49.0
135.08064	17.1
135.11716	21.4
137.05971	14.7
137.09624	41.7
139.03915	68.1
139.07559	9.7
139.11176	9.8
141.09120	10.6
143.08562	9.3
145.10124	18.6
147.08057	15.4
147.11714	31.4
149.09630	51.3
151.03911	85.8
151.07535	31.0
151.11214	24.6
156.09380	8.5
159.11745	3.3
161.09636	25.6
161.13254	17.1
163.11186	76.4
164.07079	8.1
165.05498	100.0
165.06897	5.6
165.09119	17.2
165.12790	13.3
167.10709	12.3
171.11710	8.2
174.10448	6.2
175.03932	6.1
177.12735	9.0
179.08987	2.8
179.10664	10.5
179.14314	12.1
181.06773	3.4
181.12234	12.9
183.06647	6.8
183.13809	5.9
189.09113	8.3
189.12753	26.7
193.05046	7.1
197.13229	2.8
207.06581	4.3
207.10095	15.8
207.11864	7.3
207.13799	61.0
225.07440	5.5
225.09300	6.5
225.11069	9.1
225.12845	8.3
225.14784	33.8
225.59801	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.15223	1.5
53.03936	3.2
55.05522	9.3
56.96564	3.3
57.03437	2.7
57.07072	2.6
59.04996	5.1
65.03916	2.3
67.05508	24.5
67.30629	1.7
69.03426	2.6
69.68594	7.0
71.04981	5.4
79.05470	5.8
81.03414	1.8
81.07055	9.4
83.04973	6.5
85.06534	10.4
91.05467	7.0
93.07053	11.1
95.04984	23.2
95.08614	100.0
97.06519	4.0
99.04455	6.2
101.00829	1.6
103.05451	2.4
105.03395	1.7
105.07037	10.3
107.08617	13.9
109.06540	9.1
109.10165	5.9
111.04459	2.0
113.06001	7.8
117.03375	2.2
117.07027	1.5
119.01936	2.3
119.04955	3.7
119.08591	15.6
121.06519	2.7
121.10143	13.6
123.04419	6.3
123.08076	36.3
123.11707	3.3
127.07537	1.7
133.10097	3.7
135.08073	2.5
135.11696	13.8
137.05963	4.6
137.09615	11.3
139.03918	15.0
139.07449	2.3
141.09082	4.2
143.01849	2.8
145.10115	2.6
147.04385	3.2
147.08093	2.1
147.11653	6.6
149.09653	22.0
151.03917	30.0
151.07538	10.2
151.11156	2.0
151.14795	2.2
152.08350	1.7
153.09113	4.2
161.09669	2.7
161.13281	10.3
163.11134	5.2
165.05482	45.3
165.09128	40.1
165.12743	6.8
167.10672	5.1
171.11650	1.7
177.05493	5.6
179.14323	4.8
189.12726	9.2
207.06525	1.8
207.13803	18.2
225.07550	3.5
225.11096	8.0
225.14822	11.7
235.64755	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03945	6.0
55.01869	3.7
55.05514	7.8
56.96562	2.8
57.03429	4.5
59.05002	2.5
65.03944	2.5
66.04720	1.7
67.05498	15.9
69.03426	10.6
69.07066	5.6
69.64462	9.2
71.04996	15.9
75.04482	1.7
77.03940	3.8
79.05497	17.7
81.03428	7.6
81.07056	14.4
83.04987	20.8
83.08619	6.2
84.04488	2.1
85.02909	2.9
85.06541	5.0
91.05487	22.3
92.32588	1.3
93.07040	17.2
95.04973	58.9
95.08619	15.7
96.05342	1.8
96.23818	1.6
97.02905	2.1
97.06522	5.0
99.04460	34.5
99.08073	5.8
100.11259	6.9
103.05444	1.4
105.03388	3.4
105.07038	19.3
107.04958	4.7
107.08599	30.9
109.02888	6.6
109.06519	31.7
109.10173	14.6
111.04440	9.3
111.08052	2.0
113.09673	1.5
117.07027	5.4
119.04969	6.9
119.08594	28.8
121.06494	6.7
121.10149	29.6
121.88754	1.5
123.00843	2.7
123.04427	20.6
123.08073	56.2
123.11718	8.5
125.05987	4.6
125.09645	6.0
127.07609	2.5
128.06174	1.7
129.07039	3.6
130.07753	2.0
131.08586	4.5
133.02858	2.7
133.06511	3.5
133.10130	12.4
135.04454	2.5
135.08075	6.5
135.11694	9.8
137.05948	4.6
137.09612	22.3
137.13246	2.1
139.03896	22.0
139.07542	1.8
139.11177	2.6
141.09077	1.6
143.08572	4.1
145.10139	7.1
147.04399	5.5
147.08069	19.5
147.11717	12.1
149.08421	1.5
149.09630	36.3
151.03911	73.1
151.07559	7.5
151.11182	4.3
154.12262	3.6
156.09244	2.3
159.11742	2.1
161.09639	25.8
161.13246	8.5
163.11188	22.2
165.05481	100.0
165.09116	25.7
165.12796	7.1
167.10687	16.3
167.16469	1.4
169.08685	3.2
171.11690	5.1
175.03894	2.7
177.05522	3.9
177.12790	2.6
179.07138	1.8
179.10704	5.1
179.14296	3.2
181.12247	8.7
183.06541	2.3
183.13832	6.6
189.00876	1.5
189.09114	20.3
189.12740	12.8
193.04980	5.8
207.10315	6.7
207.13783	23.9
225.07622	3.7
225.11075	4.7
225.14830	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.12692	1.6
52.25040	1.6
53.03947	2.6
53.50717	1.6
55.05513	4.6
55.65121	1.5
57.03450	2.4
64.21318	1.5
65.03941	3.0
65.98273	1.6
67.05517	12.0
69.03439	9.3
69.07066	7.6
69.74528	7.1
71.01342	6.8
71.04996	7.3
79.05498	13.2
80.59367	1.5
81.03416	2.2
81.07064	15.0
83.05001	7.8
83.08601	2.1
85.02923	2.8
85.06524	2.6
86.61543	1.5
91.05476	15.3
93.07053	20.3
95.01320	3.5
95.04970	22.1
95.08617	17.4
97.06570	9.3
97.10165	2.0
99.04469	6.9
99.75148	1.7
105.03433	1.9
105.07038	18.0
107.08598	28.5
109.06526	13.1
109.10172	9.9
111.04468	5.1
111.08071	3.9
115.05492	1.7
119.04980	2.1
119.08602	29.2
121.06535	6.1
121.10161	30.0
123.04462	6.1
123.08084	25.3
123.11681	2.8
125.05988	2.6
125.09644	4.1
127.07704	1.6
129.07082	1.9
131.08548	4.9
133.02914	2.1
133.06485	2.3
133.10156	9.7
135.08076	3.1
135.11711	30.6
137.09671	12.2
137.13290	16.5
139.03943	14.0
139.07549	2.2
139.11198	2.8
141.09102	2.4
143.08510	2.3
145.10141	7.6
147.08070	4.1
147.11708	16.4
149.09628	100.0
149.15785	1.5
151.03929	16.4
151.07533	5.9
151.11148	3.3
153.12744	9.1
156.09319	3.8
161.09644	2.3
161.13275	18.0
163.11172	15.9
165.05470	27.4
165.09154	7.5
165.12749	6.5
167.10698	5.4
169.08614	2.6
171.11703	2.7
179.14378	3.6
181.12257	3.0
189.12790	19.8
207.13837	20.2
225.12834	4.1
225.14908	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	225.1487
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.57310	2.3
51.54311	2.2
52.67947	2.3
53.03933	5.7
54.37835	2.1
55.01869	3.7
55.05506	12.8
56.96552	6.4
57.03413	2.8
57.07063	6.6
67.05506	24.6
69.03391	3.3
69.07049	8.9
69.41717	19.9
71.04978	7.8
71.95264	2.8
73.06574	2.4
79.05494	30.9
81.07059	21.6
83.04980	18.7
83.08611	7.2
84.73130	2.2
85.02885	4.8
85.06528	4.8
91.05485	36.7
93.07051	32.8
95.01345	2.8
95.04386	2.4
95.04975	49.1
95.08630	16.0
97.06510	6.7
97.10146	3.1
98.97559	3.7
99.04431	7.6
100.11227	2.7
101.95039	96.1
105.03365	9.1
105.07030	19.0
107.04959	6.4
107.08576	14.1
109.06543	14.5
109.10108	5.7
111.04430	5.5
114.05382	2.3
116.95397	2.2
117.07011	2.8
119.04930	15.7
119.08614	12.1
119.96082	39.4
121.06471	3.8
121.10106	7.5
123.00796	3.3
123.04397	9.2
123.08067	8.8
123.11632	3.5
125.09519	3.8
127.03851	4.8
127.07581	7.0
129.06987	7.0
129.07953	2.1
133.10098	8.6
135.08028	2.4
137.05969	3.6
137.09610	4.0
137.97116	16.9
139.03917	77.0
142.97626	7.4
143.08591	4.8
145.10124	3.9
147.04427	19.2
147.11742	18.7
149.09700	3.6
151.03914	20.8
151.07480	2.8
155.07028	2.4
155.98265	2.6
160.98717	35.5
161.09729	3.6
161.13271	8.1
163.11206	3.4
165.05486	30.4
165.12727	2.7
167.06937	3.9
167.10741	3.9
171.11655	11.9
175.03947	16.4
178.99783	16.9
179.07048	3.9
179.14240	3.8
180.04149	3.9
183.06564	5.6
184.00267	6.0
189.12735	5.4
189.16389	5.2
190.02051	3.1
192.04135	3.8
193.04927	8.4
202.01384	3.8
207.06468	20.7
207.10112	2.5
207.13782	9.0
207.17542	3.7
210.12494	6.4
225.07495	8.6
225.09358	4.9
225.14847	100.0
231.69452	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05532	11.2
55.23265	2.0
56.20342	2.2
56.99907	2.1
57.03427	2.7
57.07075	5.9
58.91241	2.2
59.04995	3.2
67.05511	23.7
69.03427	6.3
69.07064	3.8
70.88346	3.2
70.88673	3.4
71.04984	3.9
79.05496	7.8
81.07055	8.9
83.04978	8.0
85.02931	2.6
85.06551	8.4
91.05482	9.0
93.07071	12.1
93.07571	1.9
95.04971	24.5
95.08614	100.0
97.06554	3.6
97.10162	3.0
97.39900	2.2
99.04436	3.6
105.07040	12.1
107.08613	17.6
109.06513	8.6
109.10143	11.0
113.06008	9.0
115.42049	2.3
119.08596	20.0
121.10155	9.4
123.04436	6.8
123.08082	41.8
123.11715	3.2
133.10158	4.4
135.08069	3.0
135.11707	14.0
137.05954	3.8
137.09636	13.5
137.13214	2.7
139.03911	9.6
140.10655	2.3
141.09166	5.3
143.01846	2.5
147.04456	3.0
147.11693	11.4
149.09637	22.4
151.03899	30.3
151.07520	13.4
151.11099	3.1
153.09142	11.0
154.07375	2.6
156.72154	2.1
161.02974	3.4
161.13257	8.7
163.11205	8.0
165.05490	56.7
165.09129	85.2
165.12773	5.4
167.10684	4.8
174.10391	2.2
177.05605	3.2
179.14401	3.7
181.04959	2.3
181.12315	4.2
189.12732	15.8
207.06421	2.3
207.13814	33.9
225.11053	8.0
225.14912	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.02373	2.3
53.03944	7.3
55.01863	5.4
55.05514	12.8
57.03429	6.1
59.04993	8.7
65.03938	3.6
67.05515	20.8
69.03425	28.2
69.07067	19.2
71.04993	15.1
71.10898	5.8
75.04519	1.9
77.03905	2.9
79.05502	35.9
81.03419	4.1
81.07058	33.4
81.95350	2.2
83.04986	26.2
83.08616	7.6
84.08118	1.8
85.02901	4.7
85.06538	3.7
87.04464	4.5
91.05482	26.5
93.07050	30.4
95.04974	69.9
95.08614	27.0
97.02845	4.4
97.06540	23.6
99.04453	6.3
99.08104	2.7
101.06001	8.5
103.05450	2.3
105.03391	4.2
105.04545	2.5
105.06403	2.6
105.07047	35.8
107.04958	11.2
107.08601	95.7
109.06528	22.9
109.10151	34.7
111.04449	7.2
111.08080	8.1
117.07019	6.0
119.04970	5.4
119.08588	38.2
121.06525	16.5
121.10149	46.1
122.07290	13.1
123.04439	20.3
123.08073	32.5
123.11699	6.3
125.06023	3.8
125.09642	3.7
126.53155	2.2
127.07598	2.6
128.06262	3.7
129.06927	3.0
131.08542	5.2
133.06490	5.9
133.10146	18.4
135.04398	2.4
135.08047	4.0
135.11682	15.1
137.05957	7.7
137.09624	75.7
137.13211	6.1
139.03920	13.9
141.09132	4.7
143.08533	7.1
145.10138	31.4
147.04424	5.1
147.08044	16.3
147.11681	15.3
148.83334	2.0
149.02351	2.1
149.09619	33.5
151.03914	74.5
151.07582	12.0
151.11197	64.8
156.09334	3.1
159.11682	4.1
160.08846	3.1
161.09628	28.6
161.13251	20.4
163.11177	40.0
164.93216	2.1
165.05479	100.0
165.09169	6.5
165.12775	9.1
167.10670	5.9
171.11676	7.2
175.03952	4.7
177.12766	3.4
179.10715	5.2
179.14314	6.3
181.12267	22.3
183.06577	2.6
189.09106	21.2
189.10619	2.2
189.11188	3.2
189.12709	26.4
207.06595	2.5
207.10222	11.8
207.13811	44.3
225.11215	4.7
225.14874	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.34528	1.2
53.03942	3.9
55.01868	3.5
55.05527	6.9
59.04985	1.3
65.03931	1.3
67.05513	9.7
69.03441	7.8
69.07060	2.5
69.70068	7.7
71.04997	11.2
79.05505	16.0
81.07066	37.2
83.04990	15.2
85.06543	4.3
91.05486	22.6
93.07049	28.6
95.04986	11.7
95.08613	30.1
95.09224	1.5
97.02908	11.1
97.06526	12.9
98.20764	2.7
98.97612	1.4
99.04453	17.2
99.08076	2.1
105.07040	62.2
107.04954	3.7
107.08604	29.1
109.02834	1.2
109.06520	24.5
109.10140	3.7
111.04445	3.4
111.08063	6.1
113.06001	2.7
113.09639	2.6
117.77353	1.3
119.04965	6.1
119.08591	20.5
121.06508	5.1
121.10160	18.6
123.04456	2.5
123.08080	55.6
123.11677	6.3
127.07557	2.1
128.06273	5.7
131.08560	5.1
133.06499	15.9
133.10143	51.4
135.08046	2.4
135.11665	3.6
137.06001	8.1
137.09619	7.0
139.03935	12.4
141.09119	56.7
143.08591	6.1
145.10110	6.3
146.07275	2.7
147.08047	5.8
147.11707	8.4
149.09634	82.3
151.03941	7.2
151.07567	25.5
151.11133	4.0
156.09357	2.5
159.08018	1.5
161.09637	48.9
161.13257	13.3
163.11168	9.4
165.05502	12.5
165.09094	2.8
165.12773	5.4
169.08618	15.1
171.08058	2.2
171.11688	5.6
174.10413	4.7
179.10684	14.7
179.14215	1.5
181.98909	1.4
183.06532	1.6
189.09125	12.0
189.12772	59.1
207.13820	100.0
208.14178	1.8
225.11218	2.5
225.14929	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03942	1.6
55.01863	1.0
55.05505	2.5
57.03430	2.3
58.01390	0.7
59.05005	0.9
65.37928	0.8
67.05508	8.5
69.03419	2.5
69.07076	1.5
69.55199	0.7
69.98943	3.7
71.04984	2.8
77.03907	1.0
79.05499	6.4
81.07058	7.5
83.05011	3.5
87.04391	0.6
88.27161	0.6
89.77626	0.7
91.05480	11.6
93.07050	12.7
95.04977	11.2
95.08617	15.1
97.06547	3.0
99.04451	1.2
103.05443	0.7
105.03376	1.1
105.07049	8.4
107.08593	10.0
109.06522	8.0
109.10162	11.6
111.04415	1.3
111.08061	1.0
117.07025	0.8
119.04932	1.7
119.07781	1.4
119.08587	17.6
121.06538	0.8
121.10166	6.8
123.04484	3.3
123.08070	12.1
125.06008	2.0
131.08582	1.1
133.02884	0.8
133.06491	1.7
133.10149	3.7
135.08084	1.5
135.11691	1.3
137.05984	2.4
137.09627	37.6
139.03897	8.6
141.06905	0.9
141.09109	8.0
143.08476	1.0
145.10149	0.8
147.08060	6.1
147.11679	1.6
149.09636	14.7
151.03922	15.4
151.07518	5.6
161.09615	1.7
161.13266	15.0
163.11172	2.4
163.14780	1.7
165.05493	37.7
165.09125	100.0
169.06401	0.7
169.08618	1.9
171.11760	1.6
174.10431	0.9
175.03949	1.1
179.14351	3.0
180.40872	0.7
181.12250	3.0
183.06573	0.9
189.12746	14.6
193.04942	1.1
207.13814	36.2
225.05527	1.4
225.07549	1.2
225.14876	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	225.1851
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
53.03942	4.0
55.01865	3.4
55.05263	2.8
55.05516	35.5
56.96561	5.9
57.03421	2.8
57.07084	12.4
65.03945	2.3
67.05180	2.4
67.05509	36.8
69.03433	4.6
69.06725	3.0
69.07075	38.2
71.04984	6.1
71.08627	4.8
71.58080	2.4
71.73615	1.6
71.95271	2.0
79.05500	15.6
79.22578	1.6
81.03439	2.0
81.07065	48.0
83.05000	9.9
83.08624	32.1
85.02895	2.3
85.06545	7.2
85.10148	1.4
89.99277	1.4
91.05486	30.4
93.07047	20.9
95.04979	35.9
95.08614	45.1
97.06542	8.2
97.10174	30.3
98.97592	2.7
99.04456	7.2
100.11230	1.6
101.95036	85.7
105.03399	11.0
105.07037	19.1
107.04964	4.5
107.08591	23.9
109.02884	1.7
109.06531	8.5
109.09451	3.3
109.10163	37.1
111.04439	5.2
111.08096	6.1
111.11736	7.7
111.80991	1.5
115.07538	1.8
119.01890	2.1
119.04993	9.2
119.08593	20.9
119.95267	2.8
119.96087	34.5
120.23177	1.6
121.06502	1.9
121.10148	12.1
123.00787	4.5
123.04430	9.4
123.08078	7.4
123.11707	16.8
125.06010	2.2
125.09634	7.1
125.13281	2.3
127.03912	2.9
127.07567	5.2
129.09027	2.2
131.08537	2.3
133.02875	2.3
133.10147	25.3
135.11673	6.5
137.06039	4.0
137.09641	9.0
137.97137	15.5
139.03911	100.0
142.97630	9.2
143.08617	2.1
145.10123	2.1
147.04453	8.2
147.11687	16.5
149.09599	2.4
149.13286	4.0
151.03931	18.1
151.11165	8.9
155.07143	2.0
155.98146	3.4
160.97429	3.2
160.98711	37.5
161.13280	6.8
163.11288	2.0
163.14806	6.7
165.05489	30.0
165.12813	4.4
165.16388	13.1
167.10626	2.2
175.03912	8.5
178.99811	17.5
179.14421	2.7
181.04970	2.0
183.06555	7.7
184.00359	5.5
189.16402	45.5
193.04967	5.0
193.09962	2.4
207.06528	10.7
207.13756	3.9
207.17445	32.9
225.07384	8.8
225.09326	4.1
225.11102	2.8
225.14714	19.4
225.18481	5.4
225.19846	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01867	2.2
55.05514	2.5
56.05026	0.9
56.96567	29.9
57.03436	8.7
57.07068	0.6
57.11959	0.5
58.99871	0.5
59.04975	1.9
60.04519	0.8
60.05631	0.7
60.95838	0.6
61.02929	5.1
62.06091	6.7
65.03935	0.9
65.04286	0.4
67.05506	2.9
68.05019	0.7
68.98278	0.4
69.03432	17.2
69.07060	0.8
70.03751	0.7
70.06596	11.7
70.13655	0.4
70.98102	1.0
71.01343	0.7
71.04992	2.8
71.57124	0.5
71.95262	3.8
72.04500	1.1
72.08160	3.0
72.96026	0.6
73.02920	10.4
74.06056	0.5
75.04475	0.8
77.03899	0.4
79.05499	2.5
80.05008	0.7
80.94950	1.2
81.03416	3.4
81.07050	1.3
82.06582	1.0
82.99840	0.6
83.00772	0.7
83.01276	0.8
83.04954	1.6
84.04494	1.1
84.07691	0.7
84.08151	9.6
84.96038	3.7
85.02909	20.1
85.06540	2.8
86.03198	0.7
86.06081	0.4
86.09686	1.2
87.04471	6.4
89.00790	0.9
89.03889	1.6
91.05476	7.8
93.07058	2.4
94.06540	0.7
95.04964	11.5
96.01550	0.4
96.04503	3.9
96.05072	0.7
96.08121	1.6
97.01452	0.7
97.02385	1.0
97.02895	20.0
97.06530	0.5
97.07634	0.6
98.01315	0.7
98.03217	1.0
98.06031	0.8
98.97588	28.0
99.04449	3.5
99.97843	0.5
100.02448	0.9
100.99186	0.4
101.00258	0.8
101.00875	8.9
101.05988	0.6
102.00957	1.9
102.02341	0.5
102.96857	1.4
103.00610	1.1
103.02393	1.1
103.05457	2.7
105.00316	0.5
105.07008	1.9
106.02789	0.5
106.04164	0.8
107.04961	6.2
108.08132	0.6
109.01352	0.6
109.02236	0.7
109.02884	1.8
109.06503	1.0
110.00113	0.4
110.01289	1.1
110.03133	0.7
110.06013	1.2
110.07174	1.1
110.97577	6.0
111.02081	0.9
111.04462	1.0
112.05138	3.2
112.07575	1.7
112.08706	0.5
112.99146	2.4
113.00864	2.5
113.02344	0.6
114.09197	3.7
115.00689	1.7
115.02440	4.0
115.03925	4.4
116.00207	0.6
116.01302	0.5
116.07083	0.6
116.98630	10.2
117.02140	0.7
117.03312	0.7
117.03999	1.7
117.06992	1.5
118.92036	0.5
119.01923	16.6
119.04941	17.4
120.02000	7.3
120.03342	0.5
120.05630	1.2
120.08054	0.9
121.01675	1.4
121.02888	1.1
121.06516	10.4
121.97558	0.8
122.06039	3.2
123.04436	32.6
124.03824	0.6
124.07598	0.7
124.08450	0.7
124.58862	0.4
124.93922	0.8
124.95481	1.3
124.99123	1.7
125.06185	0.5
125.07117	13.1
125.99110	0.6
127.00701	0.6
127.02364	1.4
127.03938	5.9
128.02309	0.6
128.98618	5.7
129.02185	0.5
129.03088	1.2
129.03990	1.4
129.05418	0.5
129.10233	1.0
130.03641	0.8
130.08633	0.9
131.00180	3.2
131.01874	5.4
131.04918	0.9
132.97865	0.5
132.99918	0.5
133.01707	1.3
133.03503	4.5
133.05063	2.5
133.06474	2.4
134.03546	0.7
134.06018	1.9
134.99663	3.3
135.04382	3.3
135.06808	15.4
135.07886	0.6
136.06229	0.7
136.07568	2.5
137.02913	2.8
137.06004	3.2
138.03079	1.8
138.05434	1.1
138.09131	0.5
139.02405	1.2
139.04147	0.8
140.04933	0.5
140.07022	0.6
140.98601	1.6
141.01212	0.7
141.02211	0.9
141.03896	0.8
142.03523	1.8
142.57741	0.5
142.96521	2.2
143.00183	5.1
143.01857	5.2
143.03603	3.9
144.00760	0.5
144.02414	0.4
144.98076	1.0
145.01688	1.9
145.03534	7.0
145.04976	2.1
145.06477	2.4
146.02238	0.5
146.05014	1.0
146.99649	3.5
147.03186	1.3
147.04323	10.5
147.06871	0.6
148.00467	1.0
148.02794	0.8
148.03873	10.4
148.54004	0.8
149.01216	1.1
149.02872	0.8
149.05963	2.9
150.01764	0.7
150.05417	0.6
151.02724	1.1
151.03868	1.1
151.07535	0.9
152.02272	0.8
152.07054	0.9
152.98607	1.1
153.03064	0.9
153.06592	1.0
154.03874	3.4
154.07439	2.5
154.53993	0.7
155.01894	3.4
155.04642	0.7
157.01933	0.9
157.03426	10.1
158.06654	0.6
158.99652	7.0
159.03206	1.1
159.05188	2.5
159.06195	0.6
159.54681	1.5
160.03746	0.9
160.04866	0.8
160.07625	0.6
160.96054	0.9
160.97614	1.5
161.01231	3.9
161.02956	12.3
161.04645	1.4
161.05885	0.9
162.03102	2.9
162.06767	0.5
162.09123	2.0
162.99059	0.7
163.02689	0.8
163.03871	13.8
164.07028	1.2
165.05481	18.8
165.96542	1.3
166.04915	2.9
166.08644	1.9
167.01978	1.6
167.05667	1.2
167.07037	17.1
167.08403	0.9
168.03485	0.7
168.07602	0.7
169.03282	0.8
169.04500	1.1
170.03630	0.7
170.05177	1.2
170.96037	1.9
170.99725	2.3
173.01242	1.6
173.02951	5.2
175.01190	0.4
175.02806	2.8
175.04512	6.7
176.02304	1.2
176.04991	0.6
176.07672	0.5
177.00763	5.1
177.04112	0.9
177.05446	5.4
178.06100	0.8
179.02451	1.0
179.04012	2.5
180.04115	3.6
180.10202	100.0
181.13374	2.1
182.03342	1.9
182.04915	0.8
182.08104	6.1
182.99574	0.7
183.14948	2.5
183.97591	1.8
184.04553	1.6
185.01196	2.4
185.02959	11.5
185.04593	1.1
187.02795	1.4
187.04506	1.7
188.97067	11.6
189.00745	2.5
189.06120	0.7
190.04976	0.7
191.02319	1.1
191.04004	1.4
192.01299	0.5
192.04796	0.6
193.03781	1.0
194.03413	0.8
194.05237	0.9
195.01805	1.5
196.04716	1.0
197.02936	0.9
198.06216	0.5
199.00989	0.5
199.02856	1.0
199.04483	0.8
200.07697	1.0
201.00702	2.8
201.04344	0.6
201.06151	0.7
202.01001	0.9
202.05623	0.8
202.98666	2.0
203.02275	3.4
203.03998	20.8
203.05663	1.3
204.04124	0.8
204.54633	0.9
205.04071	1.0
205.05478	25.6
205.54091	0.6
205.55682	4.5
206.98106	6.3
207.01660	1.0
208.04407	0.7
208.06145	1.5
208.09753	1.3
208.13463	0.6
209.04836	0.5
209.08136	1.3
209.12866	26.2
211.04486	0.7
211.98732	0.9
213.00763	0.8
213.55132	0.7
214.05991	7.6
214.56168	0.9
215.04022	0.9
217.01924	0.6
217.03746	0.9
217.05626	1.4
219.01770	7.2
219.05276	0.7
220.02069	0.6
220.99677	1.9
221.03268	1.3
221.05128	7.0
223.06601	1.9
225.56847	1.3
226.05504	5.9
226.10762	55.8
226.15544	17.4
226.18877	2.2
227.06999	0.7
227.10995	0.7
229.05685	0.6
231.01707	3.4
235.02931	0.7
237.02803	6.0
239.04343	0.8
244.04549	0.8
244.06770	2.8
245.05115	2.1
249.02734	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	227.032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01869	5.4
55.05511	4.8
56.96560	3.7
57.03441	4.7
61.02920	8.5
66.72482	3.4
67.05515	3.5
68.62511	2.9
69.03423	9.6
70.06596	42.0
71.55304	6.3
73.02905	10.0
76.86229	3.1
81.07053	4.9
84.04489	7.4
84.08147	100.0
85.02916	12.8
91.05469	4.7
93.07063	6.7
97.02874	5.2
99.04430	4.4
101.00884	11.8
104.32024	3.3
107.08558	5.1
112.03629	3.2
112.05096	23.4
116.07092	25.2
119.01894	18.9
121.06525	18.0
121.83646	3.5
125.06039	3.5
129.02942	3.3
131.01933	5.1
137.02876	3.6
141.03822	5.0
143.01920	8.2
145.03479	4.8
157.03462	5.9
159.05019	4.6
161.02939	8.7
163.02727	4.1
163.03915	5.0
167.07104	5.6
169.03410	5.3
173.03009	4.5
185.02950	5.4
199.04422	4.2
204.04628	3.7
223.06560	6.5
226.86809	9.6
227.03218	13.7
227.10555	8.2
227.12140	6.2
227.13936	16.8
241.07716	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03945	1.5
54.52418	0.5
55.01869	1.2
55.05516	1.0
61.37462	0.4
67.05503	1.1
69.07063	0.8
71.04984	1.8
71.58801	0.8
73.02896	0.7
78.04715	1.8
79.05490	2.9
81.03425	0.7
81.07040	1.9
83.04977	0.7
83.08614	0.6
83.51234	0.5
85.06548	1.6
89.03918	1.0
91.05489	6.0
93.07043	4.0
95.04974	2.3
95.08610	1.3
98.97621	0.6
99.04468	5.3
100.11263	2.0
103.05484	5.9
105.03403	0.7
105.07006	0.8
106.04170	1.9
107.04979	4.0
107.08598	1.5
109.06505	1.1
109.10148	0.9
109.11513	0.4
112.05038	0.5
117.03394	1.1
119.04962	1.4
121.06519	11.9
121.10165	0.7
122.03656	1.3
123.04444	5.3
123.08046	0.9
123.11736	0.9
124.05211	2.0
131.04951	5.6
133.02916	0.6
133.10107	0.6
134.03627	1.7
135.04472	1.3
137.05986	7.8
140.04710	2.5
145.02849	1.0
145.10130	0.6
147.04373	1.1
148.05199	1.5
149.02353	0.5
149.04800	0.8
149.05989	14.6
149.13269	0.5
151.03874	1.3
152.04698	2.2
153.05453	0.9
155.07025	2.1
159.04404	3.2
163.03918	0.9
163.11128	0.5
165.05499	1.5
167.07054	100.0
176.04787	0.8
177.05486	27.2
181.08600	1.6
191.07092	1.0
194.05762	1.1
199.07455	0.6
209.08112	9.0
221.47780	0.5
227.07042	2.5
227.09164	2.3
228.42210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03934	3.7
55.01867	3.6
55.05501	1.5
62.79687	0.9
67.05487	3.0
69.03445	1.1
69.07061	1.3
69.25028	2.0
69.25430	6.3
71.05023	1.0
75.83069	0.8
76.85259	0.8
77.03919	2.2
79.05499	26.3
81.03423	1.3
81.07078	4.9
83.04983	1.8
84.04480	1.1
91.05480	13.1
93.07054	18.3
95.04981	5.1
95.08602	3.4
97.05913	1.4
97.06538	25.9
98.21138	4.7
100.11246	3.3
103.05478	20.4
105.04536	1.8
105.07051	8.4
107.04962	47.4
107.08611	2.9
109.06508	3.4
109.10148	2.3
109.48189	1.0
112.97698	0.9
117.07076	0.9
119.08553	1.3
121.06512	55.1
121.10139	3.0
123.04451	2.1
123.08109	1.1
125.06001	2.5
125.09648	1.2
131.04955	10.0
131.08577	1.2
133.06493	3.3
133.10149	1.3
135.04419	11.3
135.08054	1.8
137.06007	2.7
139.03885	1.1
139.07555	2.1
148.05135	1.4
149.05991	100.0
149.09570	2.5
150.06255	1.2
151.07541	1.2
151.11191	2.2
153.05481	35.1
154.12189	1.5
155.06998	1.2
159.04459	3.0
163.07494	6.3
167.07056	67.9
171.14999	2.1
177.05487	48.9
181.08589	3.0
191.07030	2.4
191.14305	1.9
195.06549	8.3
209.08110	8.6
209.15265	1.2
221.37064	0.9
227.07152	1.4
227.09091	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23307	0.3
53.03947	0.6
55.01871	0.5
55.05497	0.9
56.96550	1.0
57.03433	0.7
67.05504	0.9
69.03429	1.3
69.07062	0.8
71.04996	1.8
79.05485	2.5
81.07065	2.8
83.04992	0.6
83.08629	0.3
84.96034	0.3
85.06551	1.0
91.05512	0.7
93.07074	1.7
95.05001	0.9
95.08583	0.3
97.01073	0.4
97.06528	0.8
98.97583	0.8
99.02693	0.3
99.08106	0.5
100.11246	1.3
103.05459	0.4
105.07047	2.2
107.04984	0.4
107.08618	1.8
109.06537	1.0
109.10168	1.2
110.97575	1.4
111.02692	0.4
111.08122	0.3
113.04256	0.4
119.08592	0.7
121.06513	1.3
121.10136	1.2
123.02642	0.4
123.08080	1.0
123.11710	0.7
125.09641	2.1
127.11201	0.3
128.98643	0.8
131.08607	0.9
132.91338	0.3
133.06531	0.8
133.10152	0.6
135.04396	0.3
135.08093	0.3
137.05936	0.3
139.03984	0.3
141.03708	2.7
145.10147	0.7
149.05978	1.4
149.09630	1.5
149.13257	0.4
151.11185	1.1
155.07036	0.4
161.05954	1.0
163.07643	0.3
163.11212	0.4
167.07091	3.4
167.10690	2.7
170.99692	0.4
173.13239	0.4
177.05484	1.7
191.10651	1.0
191.14255	0.4
209.08102	0.9
209.09955	0.7
209.11862	0.8
209.15289	0.7
227.12572	100.0
228.12933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03394	0.7
62.26151	0.6
62.36039	0.7
67.56384	0.5
71.04983	1.3
71.39849	1.0
79.05485	1.1
81.07030	0.8
85.06561	0.7
91.05460	0.6
93.07065	2.6
95.04980	0.7
98.97576	1.6
99.08132	0.6
100.11244	0.9
101.22116	0.6
105.07034	1.2
107.04988	0.6
107.08626	2.6
109.10159	1.3
113.16921	0.6
119.08549	0.5
121.10135	1.0
123.08099	0.5
127.11162	0.9
131.08559	1.7
135.08043	0.7
145.10092	1.0
149.09662	3.1
152.78410	0.6
158.99693	0.9
163.11212	0.8
167.10718	5.7
177.00688	0.7
191.10672	0.6
195.07875	1.0
209.11731	2.4
227.12555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03948	2.5
55.01861	4.7
55.05495	3.7
57.03429	3.2
57.07067	5.2
64.25371	1.3
65.03926	3.7
67.05511	27.3
69.03412	3.9
69.07069	9.4
70.86546	3.7
71.04632	2.2
71.04997	22.0
75.05296	1.5
79.05064	2.5
79.05493	24.1
81.03398	1.8
81.07052	9.3
83.04989	8.5
85.06548	100.0
87.34076	1.1
91.05480	19.1
93.06474	2.3
93.07044	27.1
95.04967	11.9
95.08588	4.5
97.06534	6.3
99.08067	6.5
105.04407	1.8
105.07040	19.8
107.04958	12.9
107.08599	37.4
109.06506	6.9
109.10161	3.3
111.04433	9.5
113.05968	1.6
117.07037	6.8
117.79075	1.4
119.08582	17.1
121.06516	14.6
121.10147	23.1
123.04443	3.9
123.08060	2.0
125.05146	1.3
125.05988	5.9
125.09646	2.7
127.07501	1.5
129.07008	4.4
131.08572	64.1
133.10138	3.3
135.08076	1.9
135.11713	7.1
137.09637	7.1
139.07562	2.5
139.11220	1.8
145.10139	29.6
147.08022	5.8
147.11606	2.0
149.06010	3.3
149.09630	69.0
149.13214	2.1
151.03967	2.1
151.07556	2.0
151.11185	1.9
153.04349	4.5
153.05507	3.9
153.54918	1.5
153.92645	1.2
155.07019	4.4
155.08365	1.6
163.07492	1.9
163.11185	29.5
165.05484	3.0
165.09148	11.1
165.12738	1.3
166.05865	1.4
167.05988	4.7
167.09302	3.1
167.10680	41.2
169.08600	10.5
173.09656	5.4
173.13263	1.4
175.61949	1.4
179.10722	3.2
191.10683	61.6
191.14317	2.0
197.11679	2.3
209.11745	61.1
209.15271	5.3
227.12762	41.0
227.16302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
53.03944	0.6
55.01869	3.7
55.05499	2.4
56.96567	1.1
57.03436	4.0
57.07059	0.7
59.05005	0.7
65.03934	0.6
67.05510	4.4
69.03433	2.8
69.07071	4.3
71.04992	21.2
71.57037	0.8
79.05489	10.8
80.05025	0.8
81.07055	8.6
83.04978	3.4
83.08620	1.9
85.02884	0.9
85.06542	5.0
87.04469	0.9
91.05482	6.3
93.07043	14.9
95.04970	4.3
95.08606	5.0
97.06544	3.6
98.97589	6.1
99.04457	0.9
99.08087	2.6
100.11247	2.4
105.03427	0.7
105.07028	7.9
107.04916	3.0
107.08598	20.1
109.06520	4.1
109.10168	5.5
111.08056	1.5
113.05968	0.9
114.03749	1.2
116.01694	0.6
116.07019	0.6
116.98628	1.4
117.07004	2.9
119.08568	6.4
121.06523	5.1
121.10146	11.7
123.04404	0.7
123.08060	2.7
123.11704	1.8
125.05988	1.9
125.09625	3.0
127.07575	2.3
127.28756	0.6
128.02347	0.7
129.07019	0.9
130.87645	0.5
131.08578	11.2
133.10136	2.2
135.08061	3.2
135.11684	4.9
137.05988	1.0
137.09650	2.3
139.03918	0.7
139.07610	0.7
139.11244	0.7
141.03671	1.3
142.03238	6.0
143.08510	0.9
145.10130	8.2
147.11745	1.3
149.05989	1.1
149.09621	28.8
149.13295	1.2
151.07541	1.1
151.11197	3.0
152.06032	0.6
153.07025	1.2
153.09114	1.4
153.12686	0.8
154.03802	1.0
158.99644	2.7
163.11176	9.8
163.14818	0.8
165.12805	0.9
167.10681	100.0
169.08607	10.8
170.02713	3.7
173.09593	1.1
173.13248	1.2
177.00734	2.3
177.05457	0.7
181.06430	1.3
181.12250	5.3
184.05176	1.2
191.10677	8.3
191.14330	3.1
199.05449	0.9
199.07350	1.0
207.09587	1.0
209.06026	0.6
209.09798	1.2
209.11739	16.9
209.15388	2.0
212.04675	1.3
219.01776	0.9
227.04922	1.1
227.07019	7.4
227.10770	1.0
227.12758	7.3
227.16307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01858	2.2
55.05508	3.1
57.03435	3.2
57.07066	4.5
59.74058	1.3
67.05514	26.8
69.07076	6.2
69.75618	6.1
71.04996	17.6
79.05501	24.9
81.07061	5.0
83.04984	8.0
85.06551	100.0
91.05482	15.1
93.07049	21.9
95.04977	8.0
95.08583	1.7
97.06540	5.1
98.21503	1.9
99.08096	6.0
105.07044	17.7
107.04270	1.8
107.04956	12.3
107.08596	29.0
109.06522	5.1
109.10187	1.5
111.04451	14.1
117.07029	5.9
119.08595	19.4
121.06513	13.8
121.10157	22.2
123.04427	2.9
123.08083	2.5
125.05985	5.9
129.07005	4.1
130.07826	1.4
131.08583	66.6
135.08080	2.6
135.11708	5.5
137.05917	1.6
137.09647	5.4
141.03667	2.6
141.05492	1.4
145.10143	27.6
147.08055	4.3
147.11664	2.6
148.58044	1.4
149.05981	3.0
149.09628	68.7
153.05495	2.6
155.07051	2.2
163.11197	26.6
165.09152	10.5
167.07010	2.2
167.10696	32.5
173.09612	8.4
179.10670	2.6
191.10698	64.4
197.11777	2.3
206.07938	1.9
209.09769	3.1
209.11751	60.6
227.12787	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03939	1.0
55.01625	1.6
55.01876	28.3
55.05515	12.1
57.03442	7.0
57.07074	4.8
67.05510	12.5
69.03426	4.1
69.07073	19.8
69.86510	1.5
69.86922	3.6
71.05002	7.4
71.44104	0.9
75.04480	3.9
79.05501	8.8
81.07061	13.1
81.52664	0.9
82.06593	2.3
83.05007	5.1
83.05393	0.9
83.08614	5.1
85.06550	16.8
88.27010	0.8
91.05479	6.4
91.58102	1.2
93.06473	1.2
93.07058	20.3
95.04984	5.9
95.08615	28.4
97.06541	14.5
97.10181	1.4
98.20803	1.6
99.04469	5.6
100.09466	1.3
100.11266	15.4
105.07039	15.9
107.04962	2.4
107.08604	42.4
109.06528	9.7
109.10158	7.2
110.06048	2.5
111.04461	2.3
111.08078	3.1
113.06030	4.9
117.06966	1.9
117.13879	1.1
119.08588	3.8
121.06547	6.2
121.10155	21.7
123.08080	14.5
123.11713	1.7
125.06017	1.7
125.09657	2.1
127.07562	1.9
127.11203	4.1
131.08589	2.9
133.10149	7.3
135.04497	1.2
135.08051	4.0
135.11705	10.3
137.09642	8.2
137.13242	3.3
138.05492	0.9
139.07509	1.3
139.11162	5.6
141.11476	4.7
145.10120	8.7
147.11685	3.7
149.09636	17.1
149.13264	7.5
151.07565	12.1
151.11182	2.7
153.09167	1.6
153.12744	7.8
154.12300	2.2
155.11273	1.1
157.08646	1.3
163.11200	21.1
163.14859	5.2
163.64413	2.9
164.40518	0.9
165.12743	3.7
167.07037	1.2
167.10690	6.6
169.08618	100.0
173.09615	2.1
173.13272	7.4
181.06482	1.1
181.12248	12.8
182.15334	4.5
185.11771	1.8
191.10667	7.9
191.14357	10.1
199.18079	1.6
209.11829	6.5
209.15245	8.3
210.14867	2.1
213.17789	11.5
225.16057	1.1
227.07068	3.3
227.12807	10.0
227.16165	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	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.45392	1.6
53.03947	1.6
55.01870	5.2
55.05505	8.0
56.96573	2.6
58.99353	1.6
60.20701	1.5
63.56292	1.7
64.68378	1.5
67.05513	15.5
69.03434	3.7
69.07063	5.1
70.90272	3.5
71.05002	10.0
74.55605	1.5
79.05495	17.3
81.03392	1.8
81.07079	14.2
82.18440	1.5
83.04956	3.9
83.08602	2.4
85.06546	4.4
91.05482	11.5
93.07055	46.1
93.07632	3.3
95.04981	6.5
95.08603	5.1
97.06532	5.5
97.10169	1.4
98.97586	3.4
99.04460	35.1
100.11266	3.1
101.06018	2.5
105.07047	29.1
105.07745	1.3
107.04940	2.8
107.08603	46.5
109.06504	3.8
109.10175	3.8
111.08054	2.6
113.05971	1.7
117.07020	4.5
119.08591	20.3
121.06524	21.9
121.10153	66.6
121.11030	3.4
123.08051	4.5
130.07800	3.0
131.08582	5.7
133.10138	3.2
135.04492	2.1
135.08076	11.6
135.11708	14.9
143.08603	3.3
145.10141	37.1
147.11714	2.2
149.05988	5.4
149.09657	7.6
151.11171	3.3
163.11198	100.0
167.05988	12.6
167.10658	2.8
173.09642	10.3
177.05537	1.9
181.12250	36.6
185.07112	44.3
187.48123	1.6
191.10683	74.4
195.06502	1.8
208.10245	1.4
209.11739	13.9
209.15312	2.6
213.06602	14.9
227.08244	22.9
227.10817	1.6
227.12697	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1281
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
55.01868	2.0
55.05507	3.1
57.03445	5.0
64.49806	0.7
65.20146	0.8
67.05518	3.9
69.03425	1.8
69.07060	2.3
69.49152	2.0
69.49572	3.7
71.05000	18.3
76.25253	0.7
79.05502	10.3
81.03438	0.7
81.07073	6.5
83.04994	3.7
83.08626	1.0
85.02920	1.0
85.06554	10.4
91.05489	6.4
93.07053	12.0
95.05001	4.4
95.08609	2.0
97.06536	3.2
98.20716	0.9
99.08086	2.1
100.11253	2.7
103.05460	1.6
105.07041	9.5
107.04957	2.3
107.08608	16.4
109.06534	3.5
109.10168	1.7
111.04443	2.3
112.32810	0.7
117.07039	2.1
119.08572	6.5
121.06518	6.8
121.10147	12.8
123.04399	1.2
123.08059	1.5
123.11645	1.5
125.06026	1.6
125.09634	1.0
127.07579	1.6
131.08575	17.3
133.10165	1.2
135.08055	3.6
135.11688	2.3
137.06013	1.4
141.03728	2.2
145.10147	7.0
147.11659	1.4
149.06023	1.2
149.09636	29.8
155.07011	0.9
163.11203	8.6
167.03380	1.1
167.10690	100.0
173.09663	2.9
181.12283	4.4
191.10690	12.4
209.08287	1.2
209.11754	23.5
227.12605	44.9
227.17520	1.3
233.83560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03940	2.3
55.01859	1.8
55.05516	11.6
57.03430	5.4
57.07077	7.1
59.05006	1.8
61.99798	1.3
65.11405	1.3
67.05508	13.4
69.03421	5.1
69.06734	1.4
69.07074	21.5
69.39338	10.9
71.01320	1.6
71.05001	9.9
77.03839	1.5
79.05499	10.0
81.07064	20.5
83.04989	6.4
83.08626	8.5
85.06561	9.9
86.20871	1.3
91.05507	10.6
93.07053	31.0
95.04961	4.2
95.08617	37.1
97.06520	8.7
97.10167	3.9
99.08052	2.7
101.05978	2.3
105.06483	1.5
105.07047	15.2
107.04950	2.5
107.08604	51.9
109.06515	6.8
109.10165	24.8
111.04465	2.1
111.08076	5.1
118.29081	1.2
119.08595	11.0
120.65770	1.5
121.06541	6.5
121.10155	56.6
121.78223	1.3
123.08071	12.2
123.11712	8.8
125.09634	4.7
127.07537	3.7
127.11199	38.0
131.08572	12.0
133.10141	36.9
135.08055	13.5
135.11702	17.5
136.45711	1.3
137.09634	18.5
137.13261	22.4
139.07571	2.2
139.11163	3.2
143.08569	2.6
145.10159	7.5
147.11658	7.6
149.09630	100.0
149.13246	26.0
151.11194	12.1
153.09103	7.2
158.10916	4.6
163.11174	4.8
163.14825	30.9
165.05484	1.5
165.12773	14.9
167.10736	7.9
167.14317	2.7
173.13272	34.5
181.15926	2.5
184.52513	1.4
191.10622	3.4
191.14320	49.5
209.11732	4.0
209.15372	33.1
227.12714	6.5
227.16367	15.4
228.16048	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.3
55.01875	4.2
55.05517	16.5
56.85896	2.3
57.03440	4.7
57.07072	4.7
59.05000	4.3
67.05498	13.2
69.03429	20.3
69.07075	13.4
69.52819	19.6
69.53162	3.0
71.04981	8.8
73.02915	3.4
79.05492	11.0
79.87420	2.6
81.07057	20.6
83.01337	6.6
83.04999	19.3
83.08620	10.8
85.06548	8.6
88.34959	2.3
91.05470	7.6
93.07047	26.3
95.04942	3.8
95.08612	14.8
97.06557	13.7
97.07072	2.3
97.10178	3.8
99.04458	7.8
99.08104	31.9
101.06008	9.7
105.07034	16.0
107.08599	43.8
109.06518	9.5
109.10168	25.8
111.08091	8.7
113.05950	3.3
119.08585	11.3
121.06506	5.4
121.09315	3.7
121.10152	54.0
123.08072	8.6
123.11739	5.8
125.09644	55.3
131.08569	7.9
133.10138	31.1
134.05666	2.4
135.08070	12.7
135.11688	11.5
136.08887	2.8
137.09637	12.3
139.07533	8.1
139.11183	9.9
145.10117	4.0
147.11696	3.9
149.05946	2.4
149.09628	49.2
149.13287	19.4
151.11191	20.4
153.09128	13.8
162.04376	2.7
163.11133	4.3
163.14828	16.9
165.12683	2.8
167.06992	6.3
167.10701	8.7
169.08636	2.9
171.04887	7.4
173.13234	13.4
181.15889	7.0
191.14378	38.4
209.15372	100.0
227.12593	12.4
227.16336	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03926	3.3
55.01875	4.2
55.05517	16.5
56.85896	2.3
57.03440	4.7
57.07072	4.7
59.05000	4.3
67.05498	13.2
69.03429	20.3
69.07075	13.4
69.52819	19.6
69.53162	3.0
71.04981	8.8
73.02915	3.4
79.05492	11.0
79.87420	2.6
81.07057	20.6
83.01337	6.6
83.04999	19.3
83.08620	10.8
85.06548	8.6
88.34959	2.3
91.05470	7.6
93.07047	26.3
95.04942	3.8
95.08612	14.8
97.06557	13.7
97.07072	2.3
97.10178	3.8
99.04458	7.8
99.08104	31.9
101.06008	9.7
105.07034	16.0
107.08599	43.8
109.06518	9.5
109.10168	25.8
111.08091	8.7
113.05950	3.3
119.08585	11.3
121.06506	5.4
121.09315	3.7
121.10152	54.0
123.08072	8.6
123.11739	5.8
125.09644	55.3
131.08569	7.9
133.10138	31.1
134.05666	2.4
135.08070	12.7
135.11688	11.5
136.08887	2.8
137.09637	12.3
139.07533	8.1
139.11183	9.9
145.10117	4.0
147.11696	3.9
149.05946	2.4
149.09628	49.2
149.13287	19.4
151.11191	20.4
153.09128	13.8
162.04376	2.7
163.11133	4.3
163.14828	16.9
165.12683	2.8
167.06992	6.3
167.10701	8.7
169.08636	2.9
171.04887	7.4
173.13234	13.4
181.15889	7.0
191.14378	38.4
209.15372	100.0
227.12593	12.4
227.16336	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	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01859	1.8
55.05516	11.6
57.03430	5.4
57.07077	7.1
59.05006	1.8
61.99798	1.3
65.11405	1.3
67.05508	13.4
69.03421	5.1
69.06734	1.4
69.07074	21.5
69.39338	10.9
71.01320	1.6
71.05001	9.9
77.03839	1.5
79.05499	10.0
81.07064	20.5
83.04989	6.4
83.08626	8.5
85.06561	9.9
86.20871	1.3
91.05507	10.6
93.07053	31.0
95.04961	4.2
95.08617	37.1
97.06520	8.7
97.10167	3.9
99.08052	2.7
101.05978	2.3
105.06483	1.5
105.07047	15.2
107.04950	2.5
107.08604	51.9
109.06515	6.8
109.10165	24.8
111.04465	2.1
111.08076	5.1
118.29081	1.2
119.08595	11.0
120.65770	1.5
121.06541	6.5
121.10155	56.6
121.78223	1.3
123.08071	12.2
123.11712	8.8
125.09634	4.7
127.07537	3.7
127.11199	38.0
131.08572	12.0
133.10141	36.9
135.08055	13.5
135.11702	17.5
136.45711	1.3
137.09634	18.5
137.13261	22.4
139.07571	2.2
139.11163	3.2
143.08569	2.6
145.10159	7.5
147.11658	7.6
149.09630	100.0
149.13246	26.0
151.11194	12.1
153.09103	7.2
158.10916	4.6
163.11174	4.8
163.14825	30.9
165.05484	1.5
165.12773	14.9
167.10736	7.9
167.14317	2.7
173.13272	34.5
181.15926	2.5
184.52513	1.4
191.10622	3.4
191.14320	49.5
209.11732	4.0
209.15372	33.1
227.12714	6.5
227.16367	15.4
228.16048	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1597
Annotation	Streptenol E
Peak:m/z	Relative Intensity
53.03944	1.5
55.01863	1.0
55.05508	3.5
57.07064	3.1
57.90797	0.9
59.04991	3.1
59.79354	1.0
60.04529	6.5
67.05504	6.2
69.03081	1.2
69.03434	22.0
69.07070	7.1
69.75974	5.9
70.03757	1.3
71.04997	16.0
72.04514	8.5
79.05505	4.7
81.07059	17.0
82.06573	5.0
83.04979	3.4
83.08616	1.6
84.08140	1.0
84.36630	1.0
85.06537	8.9
86.06072	2.2
91.05475	3.2
93.07051	7.8
94.07416	1.0
95.04958	3.8
95.08601	4.1
96.08139	3.5
97.02927	0.9
97.06535	19.4
97.10174	1.8
98.09702	7.5
98.20866	1.2
98.97577	1.7
100.03980	0.9
105.07043	3.6
107.04968	1.2
107.08601	15.2
108.08914	1.0
109.06526	9.2
109.10162	29.0
111.08076	3.4
112.07608	2.1
112.08368	0.9
121.06497	2.1
121.10138	2.7
123.08071	2.9
123.11703	20.4
124.07587	1.8
125.09624	5.5
126.09965	4.2
127.11179	2.2
133.10152	12.9
134.10452	1.1
139.11186	11.3
140.10695	19.1
141.18651	1.1
149.09654	2.1
150.10013	2.3
150.12720	4.9
151.11191	75.4
152.11601	1.9
157.12242	2.3
168.11003	1.2
168.13852	16.9
169.12254	41.6
183.08340	1.1
186.14951	1.8
192.13731	2.4
210.12772	1.1
210.13255	0.6
210.14873	42.8
228.15959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01863	1.0
55.05508	3.5
57.07064	3.1
57.90797	0.9
59.04991	3.1
59.79354	1.0
60.04529	6.5
67.05504	6.2
69.03081	1.2
69.03434	22.0
69.07070	7.1
69.75974	5.9
70.03757	1.3
71.04997	16.0
72.04514	8.5
79.05505	4.7
81.07059	17.0
82.06573	5.0
83.04979	3.4
83.08616	1.6
84.08140	1.0
84.36630	1.0
85.06537	8.9
86.06072	2.2
91.05475	3.2
93.07051	7.8
94.07416	1.0
95.04958	3.8
95.08601	4.1
96.08139	3.5
97.02927	0.9
97.06535	19.4
97.10174	1.8
98.09702	7.5
98.20866	1.2
98.97577	1.7
100.03980	0.9
105.07043	3.6
107.04968	1.2
107.08601	15.2
108.08914	1.0
109.06526	9.2
109.10162	29.0
111.08076	3.4
112.07608	2.1
112.08368	0.9
121.06497	2.1
121.10138	2.7
123.08071	2.9
123.11703	20.4
124.07587	1.8
125.09624	5.5
126.09965	4.2
127.11179	2.2
133.10152	12.9
134.10452	1.1
139.11186	11.3
140.10695	19.1
141.18651	1.1
149.09654	2.1
150.10013	2.3
150.12720	4.9
151.11191	75.4
152.11601	1.9
157.12242	2.3
168.11003	1.2
168.13852	16.9
169.12254	41.6
183.08340	1.1
186.14951	1.8
192.13731	2.4
210.12772	1.1
210.13255	0.6
210.14873	42.8
228.15959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
54.47910	0.4
55.01889	2.8
55.05509	4.1
56.96568	11.2
57.03185	0.5
57.03446	5.2
57.07079	0.5
58.06598	5.2
58.12885	0.4
58.99856	0.7
59.04985	0.7
59.07384	1.1
60.04519	0.5
60.08167	6.6
60.56060	0.4
61.02652	0.5
61.02933	8.8
65.03935	1.1
67.05502	3.0
69.03433	9.1
69.07072	1.0
69.65405	3.2
70.06598	34.0
70.98096	0.9
71.01355	0.9
71.04998	2.3
72.08154	1.9
73.02928	6.3
73.06560	4.7
75.04457	0.8
77.00798	1.3
79.05493	2.3
80.06174	0.5
81.03422	2.6
81.07059	6.5
82.99855	1.5
83.00790	1.2
83.04984	2.5
84.04510	0.7
84.08147	1.3
85.02419	0.7
85.02912	10.9
85.06523	0.6
86.03245	1.1
86.09697	2.7
87.01898	0.7
87.04450	1.3
89.00772	2.3
91.03969	0.5
91.04970	0.6
91.05489	7.1
93.01910	0.6
93.07058	3.7
95.04988	2.4
95.08575	0.8
96.01528	1.2
96.08106	1.2
97.02894	6.5
98.01305	3.3
98.03224	1.0
98.06062	0.6
98.97591	21.3
99.00807	0.8
99.04456	1.5
100.02618	0.9
101.00890	13.4
101.01560	0.6
101.02354	0.8
101.05988	0.7
101.99706	0.7
102.00935	0.7
102.01536	1.3
102.02413	1.2
102.96917	0.5
103.00610	0.7
103.02433	1.4
103.03192	0.7
103.03880	0.7
103.05478	2.8
105.00302	0.6
105.02064	0.8
105.04525	1.2
105.07030	1.4
106.02672	0.6
107.01814	2.4
107.03411	0.6
107.04942	1.3
107.08556	0.7
108.02377	0.9
109.02899	1.6
109.06531	8.0
109.10180	1.2
110.97572	2.1
111.00252	2.2
111.02055	4.1
111.02908	2.1
111.04444	1.6
111.05533	0.5
111.08035	0.7
112.03687	0.9
112.96655	0.5
112.99188	1.0
113.00868	1.3
114.00842	0.5
114.05522	2.9
114.06678	1.1
114.09168	1.5
114.56177	0.9
115.02414	1.8
116.07088	3.5
116.98627	9.1
117.01851	1.9
117.02883	0.6
117.03999	1.0
117.04742	1.1
117.05482	0.7
118.01022	0.6
119.01930	30.1
119.04914	1.9
120.01820	0.6
120.02648	5.5
121.01666	1.1
121.03515	0.6
121.06519	17.8
122.06838	1.8
123.00220	1.2
123.02914	0.7
123.04449	1.1
124.01022	0.5
124.03627	0.7
124.07599	3.3
125.06023	1.0
126.00732	1.0
126.05270	0.7
127.01544	1.0
127.02412	1.2
127.03912	2.2
128.06232	1.3
128.98587	2.3
129.03113	10.5
129.05499	0.7
129.07011	3.1
131.00171	1.5
131.01924	3.8
131.05498	2.1
131.08572	1.5
131.96187	0.5
132.00711	1.5
132.03442	1.3
133.01550	1.0
133.03416	3.8
133.04243	1.3
133.06496	1.2
134.99648	2.4
137.02953	5.6
137.05988	20.0
138.00746	1.5
138.03606	0.9
138.05295	0.8
138.06329	1.3
139.02399	0.8
139.04123	0.9
139.07532	2.0
140.00270	0.5
140.06001	1.2
141.06931	1.3
142.01733	0.7
142.03542	0.6
142.08644	24.7
143.00146	1.3
143.01930	4.8
143.05550	0.9
144.02003	0.7
144.03229	0.6
145.01663	0.7
145.03397	5.8
145.05159	0.8
146.99629	1.3
147.01288	4.1
147.03194	1.2
147.04355	1.6
147.55856	0.8
148.04704	1.4
148.06569	3.1
149.01189	0.7
149.02956	1.0
149.06628	1.1
150.57242	0.6
151.03929	1.5
151.07518	1.2
153.01236	0.7
153.04002	0.7
153.06976	1.1
154.02040	0.5
154.04787	0.8
154.07520	0.5
155.01872	1.7
155.04643	0.7
155.05907	0.8
155.07022	8.0
155.08487	3.8
156.01904	1.0
157.01613	0.9
157.03494	6.6
157.06473	6.9
158.99689	4.6
159.01326	1.3
159.05113	1.2
159.08083	2.8
160.01903	0.8
161.01283	1.5
161.02943	5.7
162.03046	0.8
163.03954	1.5
163.05284	4.1
163.97632	0.6
165.05505	1.2
165.06952	1.2
166.02075	1.2
168.05647	0.8
168.95755	0.6
169.02580	25.9
169.07051	6.0
169.08603	12.4
170.04971	1.7
170.08205	2.5
170.99701	0.7
171.08047	0.8
172.95316	0.6
172.97627	1.0
173.01486	0.6
173.02939	2.9
173.06458	0.5
175.02617	5.9
175.04556	3.5
175.08041	0.8
177.00714	4.6
177.02443	6.1
178.03070	12.4
179.02277	0.9
179.05536	2.7
179.07042	0.9
179.55637	1.6
181.05382	0.6
183.05058	0.9
183.07944	5.7
183.14973	3.5
184.03050	1.8
184.05824	4.8
184.55951	0.7
185.02856	1.1
185.06383	2.6
186.04359	0.6
186.96799	2.3
187.00967	1.2
187.02831	0.9
187.04483	7.1
187.07635	1.0
187.97617	0.6
189.00684	0.9
189.02393	0.5
189.04295	0.9
189.06094	0.5
189.53909	2.5
190.98640	1.3
191.03932	4.5
193.03548	0.7
193.06473	0.9
196.04820	0.5
197.02998	0.8
197.08167	0.6
199.00851	0.6
199.03697	1.1
199.06410	1.1
201.00766	0.7
201.02477	4.7
201.06001	0.9
201.09126	1.7
201.58798	0.6
203.03992	1.0
203.07712	1.1
204.97783	0.7
205.02036	0.6
205.03865	0.9
205.05571	3.8
205.98743	1.6
207.05336	1.0
208.04854	3.0
211.02644	0.7
211.04451	0.9
211.05975	0.7
211.07613	1.4
211.09486	0.9
211.15216	0.9
213.06055	1.0
215.03981	1.1
217.01978	1.4
217.05534	1.6
217.07420	0.9
217.09306	0.7
219.01678	1.1
219.03554	11.5
220.04160	5.6
221.05110	0.9
223.04755	0.8
223.06670	7.0
228.11537	1.0
228.23218	1.5
229.01857	2.7
229.05608	9.7
229.08481	4.3
229.10959	2.4
229.13139	3.8
229.15479	100.0
233.05032	1.2
235.02831	0.8
239.04401	2.0
241.07684	1.7
247.02968	5.7
247.06612	1.5
247.12134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01874	0.8
55.05491	0.5
57.03442	0.8
65.03925	0.6
67.05510	3.7
69.03434	0.9
70.06593	1.3
71.01299	0.5
71.05002	0.7
71.58655	0.9
72.60188	0.5
76.52411	0.4
79.05492	2.3
79.15981	0.5
79.83619	0.5
81.07061	1.6
85.02970	0.5
85.06528	0.8
86.09729	0.5
86.13004	0.5
87.20340	0.5
91.05482	3.7
92.45776	0.5
93.07045	1.4
95.04981	32.2
95.08616	0.9
97.02910	1.2
97.06524	0.9
98.97572	1.2
99.00809	0.5
103.05511	0.7
105.03400	0.8
105.07025	2.0
107.04967	3.0
107.08589	1.2
109.02901	0.6
109.06532	2.0
109.10114	0.7
114.96869	1.3
115.05452	0.6
119.04964	6.0
121.02901	0.7
121.06535	0.5
123.00802	2.7
123.04453	12.8
123.08058	0.8
125.02347	0.6
127.03887	0.5
132.97902	0.9
133.06509	0.6
137.05984	0.7
141.01929	1.2
147.04408	4.8
149.06018	0.9
151.03922	100.0
161.05981	1.0
165.05505	1.2
167.07028	3.8
169.05086	2.6
169.07492	1.0
169.08730	0.7
175.03938	2.7
177.05513	0.9
179.05954	0.7
193.05013	4.9
193.08650	0.7
211.06007	5.2
229.05049	0.6
229.08476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0707
Annotation	2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate
Peak:m/z	Relative Intensity
51.02372	1.0
53.03946	3.4
55.01882	1.7
55.05503	2.4
56.96564	7.1
57.03439	0.9
57.07067	1.5
65.03944	1.3
67.05509	9.7
69.03429	4.4
69.07077	2.0
70.06589	2.2
71.01353	0.9
71.05002	4.1
71.57571	1.1
72.08156	2.8
72.32758	0.7
75.10133	0.7
79.05504	5.3
81.03426	2.4
81.06740	0.7
81.07069	7.3
83.04967	4.0
84.04519	1.1
84.08157	1.1
85.02908	2.1
85.06546	6.4
86.09707	2.2
89.02596	2.8
90.92634	0.8
91.05486	8.2
93.03409	1.3
93.07037	3.6
94.38214	0.8
95.01315	3.9
95.04969	75.3
95.08603	2.3
97.02890	8.0
97.06524	8.7
98.03124	4.5
98.57055	0.7
98.97595	2.1
99.00823	1.2
102.05614	0.7
103.05503	1.0
105.04516	1.7
105.06996	1.9
107.04951	2.3
107.08581	0.8
109.02885	2.2
109.06514	18.0
109.10144	1.5
110.23491	0.8
111.04467	3.5
111.08097	1.9
113.06010	2.7
118.60332	0.7
119.04929	4.9
121.02889	2.3
121.04110	0.9
121.06519	2.3
121.07418	0.7
121.10199	0.9
123.00789	7.3
123.04429	39.1
123.08091	1.3
123.11731	1.3
124.99150	2.0
125.02354	100.0
125.05920	1.3
127.03957	1.3
129.02191	1.1
130.04697	0.9
133.06490	1.0
135.03860	2.9
137.05986	17.7
139.03902	2.6
139.07559	3.0
140.04709	1.6
141.01784	5.2
141.05470	20.7
143.00200	1.2
144.04372	7.2
144.54553	1.0
147.03407	0.8
147.04404	4.9
149.03600	2.3
149.05974	1.2
151.03903	84.6
151.07553	2.2
152.04268	0.8
153.04906	3.9
155.07037	14.9
155.08282	1.5
155.55228	1.0
156.10257	0.9
158.04121	6.7
158.54231	1.0
159.03250	3.7
165.05472	18.2
167.03401	11.2
167.04701	6.2
167.06998	5.8
169.04987	10.6
169.08617	12.4
175.03920	3.4
176.05214	3.8
177.04372	2.2
179.07123	1.9
183.06448	3.9
183.07878	1.1
183.09203	2.9
183.11513	1.0
185.01263	1.9
193.05003	10.1
194.07089	1.4
197.08022	0.9
201.09160	1.2
201.12468	1.2
203.02309	0.8
211.06012	52.2
211.09372	1.5
229.04889	1.7
229.06984	14.6
229.08929	1.5
229.10249	1.4
229.12242	1.9
229.15697	1.1
229.23753	1.1
231.01772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
54.10822	0.4
65.03946	0.5
67.05518	2.8
69.03437	0.5
70.72314	1.7
77.03922	0.6
79.05477	1.3
86.09678	0.5
91.05490	2.7
91.24332	0.5
95.01341	0.8
95.04974	32.3
105.03387	0.7
105.04489	0.7
109.06484	0.7
119.04951	4.2
121.06481	0.5
123.00791	2.5
123.04427	11.1
125.02357	0.7
133.02864	0.7
141.01816	0.9
147.04408	4.0
151.03911	100.0
169.05000	1.8
175.03922	2.1
193.04970	5.2
211.06091	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	229.086
Annotation	Anhydromarmesin
Peak:m/z	Relative Intensity
55.01868	3.2
67.05524	1.5
70.66083	2.1
73.41512	0.7
73.74305	0.6
81.03423	2.5
81.07066	1.5
91.05496	5.2
93.07056	0.9
94.83028	0.6
95.01345	2.3
95.04971	2.8
103.05496	1.5
105.07056	1.2
109.02881	0.8
109.06519	4.0
115.05442	7.9
116.06253	1.5
116.07008	0.7
117.07049	3.4
123.04436	0.9
125.02338	0.6
127.05435	0.8
128.06223	16.6
129.07010	40.8
131.04941	3.5
131.08578	12.0
133.06494	2.6
137.05965	2.8
139.05376	0.7
139.07523	1.7
141.06993	21.0
143.04910	0.8
143.08575	2.3
144.05714	1.9
145.02818	0.7
145.06497	6.4
145.10132	2.3
151.03900	8.2
151.07574	1.1
152.06180	0.8
153.06982	13.5
154.07805	4.6
155.04959	1.3
155.05983	2.0
155.07097	5.8
155.08553	48.8
157.06497	100.0
158.07278	3.3
159.08058	32.1
165.05624	0.9
165.07008	15.9
168.05705	12.3
169.05190	0.7
169.06493	18.9
169.08603	9.3
171.08060	8.5
173.05988	1.4
173.09613	3.6
181.06369	1.2
182.07303	2.7
183.08049	45.2
184.08289	0.7
185.05983	44.4
186.06764	1.6
187.07552	14.5
193.06461	9.3
199.07556	2.4
201.09134	19.0
211.07571	26.4
213.37891	0.6
229.08598	33.7
244.13742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0859
Annotation	Anhydromarmesin
Peak:m/z	Relative Intensity
52.47147	0.8
55.01871	2.3
63.02412	0.9
71.28732	1.5
81.03362	1.1
81.07055	1.7
88.39467	0.8
91.05471	4.6
93.06979	0.7
95.01338	2.6
95.04961	1.8
103.05461	1.6
105.07027	1.8
109.06538	2.2
115.05479	7.4
116.06235	1.2
117.07040	5.3
127.05430	1.1
128.06235	15.1
129.07013	44.4
129.23117	0.8
131.04962	4.7
131.08578	11.4
133.06471	2.5
137.05957	1.4
141.07004	20.6
143.08582	3.5
144.05713	1.8
145.06490	6.0
145.10118	2.0
151.03940	5.6
151.07581	1.3
152.06161	1.2
153.06999	15.2
154.07764	7.6
155.04956	1.6
155.06009	2.2
155.07225	2.7
155.08554	51.0
157.06502	100.0
158.07208	2.5
159.08064	33.5
162.02060	0.9
165.07005	18.1
168.05739	12.2
169.06496	18.1
169.08560	4.5
171.08037	8.4
173.05975	1.1
173.09555	4.0
176.43796	0.9
181.06458	2.0
182.07246	3.0
183.08061	53.3
185.05991	42.6
186.06667	1.8
187.07565	15.4
193.06499	10.6
199.07544	2.7
201.09120	17.5
209.84387	0.8
211.05547	1.1
211.07562	28.2
229.08606	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01880	1.7
55.05524	1.5
56.96568	2.6
57.03449	1.5
67.05501	2.7
69.03416	2.3
69.07079	1.1
69.90484	4.9
69.90882	1.8
70.06595	13.2
71.05000	1.3
72.30529	0.9
78.04721	1.9
79.05507	7.5
79.69884	0.9
81.03431	3.1
81.07064	13.3
82.40686	0.9
85.02898	1.9
86.09708	21.8
91.05501	4.7
93.07059	3.6
95.04979	2.8
95.08603	4.0
97.02898	2.1
97.06553	1.9
98.97595	6.2
103.05456	1.9
105.07036	6.1
106.04138	1.5
107.04968	2.1
107.08589	2.2
108.89049	0.9
109.06527	52.1
109.10155	1.4
111.04476	1.4
111.08085	2.9
116.07100	39.0
117.73084	1.1
121.06540	3.7
123.04440	6.5
123.08089	7.1
124.05250	3.1
125.02402	1.8
125.06013	7.9
127.07609	1.2
133.06528	5.4
135.08069	2.2
136.84859	1.2
137.05984	34.0
139.03935	2.2
139.07555	16.4
149.05981	3.4
151.03909	3.1
151.07533	9.5
155.07039	87.0
158.99687	2.5
161.06050	1.6
167.07051	99.4
169.08611	100.0
177.00690	2.0
179.07057	5.7
181.08658	1.4
183.10190	2.8
193.08601	3.3
197.08109	3.4
208.04909	1.4
211.09700	13.7
217.05446	4.5
229.08766	1.2
229.10628	5.0
229.15550	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1073
Annotation	Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid
Peak:m/z	Relative Intensity
55.01877	1.1
55.05506	0.9
57.03453	1.3
58.46862	0.6
61.01454	0.7
67.05523	2.2
69.03474	0.9
70.06586	3.5
71.05014	0.8
71.45998	1.3
72.87195	0.7
79.05505	4.1
81.03428	1.3
81.07063	15.7
82.23319	0.6
86.09700	6.1
86.10136	0.7
91.05481	2.3
93.07063	2.9
95.04994	2.0
95.08619	6.9
97.02869	1.0
97.06534	1.7
98.97598	1.4
99.08101	1.1
105.07053	5.2
107.04962	0.8
107.08601	1.7
109.06526	56.0
110.07259	0.8
111.04435	0.8
111.08109	4.5
116.07108	11.2
119.62565	0.7
120.56265	0.8
123.04430	1.1
123.08086	5.7
125.02394	2.3
125.06000	7.1
133.06480	3.7
137.05984	31.7
139.03954	1.1
139.07549	17.0
141.09055	1.3
149.05978	1.0
151.03928	0.7
151.07553	10.6
153.09026	0.8
155.07042	100.0
161.05963	1.3
167.07048	1.3
169.08614	98.3
170.19273	0.9
179.07077	6.8
183.10219	5.0
193.08566	1.3
197.08093	3.4
211.09650	12.0
229.10649	6.2
229.15509	1.7
243.48985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid
Peak:m/z	Relative Intensity
53.03942	2.2
55.01859	3.4
55.05504	9.3
56.96557	1.7
59.05010	1.2
62.34849	0.9
66.79201	1.1
67.05505	5.7
67.45011	0.9
68.39814	0.9
69.03408	2.4
70.00523	0.9
70.06587	1.0
70.39875	3.1
71.01354	4.6
71.04994	1.1
79.05498	13.0
81.03409	2.7
81.07059	73.7
83.04982	5.5
84.72890	1.0
91.05483	5.8
93.07041	9.0
95.04980	5.1
95.08611	10.3
96.69857	1.0
97.02882	8.8
97.06516	1.6
98.97602	1.6
99.00776	2.7
101.02379	0.9
101.05987	1.3
103.03925	2.8
103.05482	2.0
103.87280	1.0
105.07034	26.6
107.04948	2.2
107.08578	1.8
108.05713	0.9
109.06521	100.0
109.82047	1.0
110.07328	1.0
111.04385	1.2
111.08094	2.1
115.03918	1.3
119.03391	1.2
121.06482	4.9
123.04433	2.2
123.08061	13.7
125.02340	2.5
125.05962	4.8
126.23311	0.9
127.03854	1.3
127.07578	1.5
132.05688	1.6
133.06496	31.6
135.08044	2.8
137.05980	27.2
139.03958	2.0
139.07533	10.9
149.05969	2.9
151.07550	45.7
155.07034	35.4
158.99686	1.4
161.04797	1.7
161.05997	16.4
165.05521	1.6
165.09061	2.4
167.07068	4.8
169.08609	66.3
179.07033	49.5
193.08612	5.0
197.08115	13.7
211.09671	3.4
229.08545	2.3
229.10727	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
55.01876	3.2
55.05527	0.9
55.06413	0.5
57.03452	0.6
67.05516	1.9
68.99812	0.8
69.03446	1.2
69.07063	0.7
69.87021	2.9
70.06590	3.2
71.05006	1.5
79.05505	3.1
81.03447	2.2
81.07065	9.4
83.04993	1.1
86.09714	6.2
91.05501	5.7
93.07063	2.0
95.01337	0.7
95.04978	5.5
95.08629	2.1
97.02906	1.1
97.06544	1.7
98.20808	0.7
98.97599	0.9
103.05506	1.3
105.07041	5.4
107.04977	0.9
107.08616	1.0
109.06526	37.1
111.04462	1.0
111.08090	2.4
115.05448	4.9
116.06315	0.8
116.07089	9.0
117.07016	2.6
119.05000	1.0
119.59199	0.5
121.06524	3.3
123.04455	1.5
123.08092	3.1
125.02368	2.6
125.06004	4.8
127.07492	0.9
128.06241	6.4
129.07014	13.7
130.20470	0.5
131.04921	0.7
131.08580	3.9
133.06509	3.3
134.08183	0.5
135.08167	0.5
137.05988	22.1
139.03867	1.2
139.07550	16.9
141.07007	6.9
141.09190	1.0
143.08517	0.7
144.05730	0.8
145.06488	2.9
145.10056	0.9
147.04446	0.7
149.05989	1.2
151.03917	10.4
151.07552	5.4
152.06264	0.8
153.06996	7.5
154.07802	3.8
155.07036	50.7
155.08545	20.5
156.08165	0.7
157.06503	31.8
158.07278	2.1
159.08069	11.4
161.05959	0.7
165.05630	0.9
165.07010	11.6
165.09106	0.6
168.05717	5.9
169.06549	6.0
169.08615	100.0
170.08955	0.8
171.08078	3.3
173.09621	2.2
179.07053	3.2
181.06482	0.8
182.07320	0.9
183.08051	27.2
185.05984	19.8
187.07535	4.3
193.04977	0.7
193.06450	4.2
197.08124	4.0
199.07536	1.5
201.09114	14.8
211.07529	15.6
211.09645	4.0
224.55180	0.6
229.08591	23.1
229.10605	2.2
229.15486	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01877	2.3
55.05518	2.3
56.84538	0.8
57.03442	1.3
61.62163	0.8
64.23520	0.7
67.05499	4.0
67.06277	0.9
69.03420	2.1
69.07065	1.4
70.06592	2.4
71.04992	2.5
71.57387	0.6
72.08154	1.0
79.05490	5.1
81.03414	4.1
81.07062	9.9
83.05010	1.4
83.08630	1.7
85.06538	1.6
86.09701	1.6
91.05485	4.6
93.07046	6.4
95.04977	2.9
95.08633	3.8
97.02899	3.5
97.06544	2.1
98.97571	0.8
99.08134	0.8
105.07033	6.6
107.04992	1.0
107.08608	3.0
109.06526	40.6
109.10143	1.5
111.04499	1.2
111.08088	3.1
116.12379	0.8
117.07034	0.9
121.06514	2.8
121.10095	1.0
123.04435	1.7
123.08061	5.2
125.02371	3.0
125.05994	4.5
125.09646	1.1
129.55124	1.0
131.08548	1.3
133.06523	3.7
133.10138	1.1
135.08063	1.5
137.05995	25.5
139.03943	2.2
139.07549	17.3
141.05499	1.2
141.07051	0.8
147.11757	1.2
147.88783	0.7
149.05988	0.9
151.03893	2.3
151.07555	6.0
155.07042	53.3
161.05991	1.4
165.09251	1.0
167.07083	8.0
167.10703	0.9
169.08614	100.0
179.07051	3.9
183.10196	2.7
197.08183	4.2
201.12660	0.8
211.09726	3.4
229.08655	1.7
229.10670	2.8
229.15770	1.4
229.23634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.03933	2.1
53.25469	1.4
54.80083	1.5
55.01877	8.5
55.05501	8.5
57.03418	2.1
65.03937	2.0
67.05511	26.9
69.03441	9.8
69.07074	8.5
71.04972	5.4
79.05492	13.1
81.07066	50.6
83.04978	3.4
83.08613	4.4
84.08152	4.0
85.02880	2.6
85.06526	3.5
91.05486	27.8
93.07056	12.2
95.04948	5.0
95.08627	9.4
97.06552	10.3
99.08082	4.4
105.07037	26.4
107.08596	13.1
109.03008	1.6
109.06525	11.2
109.10172	7.3
113.02341	2.9
113.06002	1.8
115.05464	1.7
119.08582	29.3
121.06525	4.5
121.10161	18.0
122.13954	1.6
123.08059	4.5
123.11708	18.6
123.81560	1.7
125.09637	19.0
127.07579	2.7
129.06993	11.4
131.08557	5.2
133.10150	14.3
135.11641	1.8
141.06953	2.7
141.09026	2.5
142.07822	1.8
145.06516	1.7
145.10130	2.2
147.11693	86.0
149.09610	4.4
151.11179	3.5
151.64490	1.9
153.07037	3.2
154.07809	1.8
155.07054	4.8
155.08556	6.4
157.06424	3.1
157.10129	16.0
159.07991	2.4
165.06960	3.2
165.09071	2.6
165.12791	35.4
169.06433	2.3
169.08612	7.3
173.09550	1.7
175.11192	25.8
183.08089	9.7
193.12260	10.0
201.09181	4.1
211.07532	5.8
211.09428	1.8
211.13345	4.4
211.16827	2.0
229.05077	2.4
229.08667	11.9
229.14357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53908	0.2
52.59201	0.3
55.01872	0.4
56.05069	0.3
58.06346	0.3
58.06606	4.4
59.07379	0.9
60.08173	6.1
68.05020	1.0
69.03425	0.3
69.78615	1.4
69.79013	0.5
70.06598	28.5
72.08138	0.7
73.02901	0.3
81.04558	1.6
85.02913	0.6
85.06525	0.5
86.08839	0.3
95.06102	2.4
96.08140	0.9
97.02904	0.3
98.06061	0.4
98.21481	0.5
98.97572	0.5
114.05540	3.5
114.09169	1.8
116.07078	0.8
119.01831	0.4
124.07607	2.7
126.09172	0.6
127.05038	1.4
137.06047	0.3
142.08647	28.1
154.07411	0.5
170.08134	1.4
183.07675	1.7
183.11258	1.6
215.16693	0.3
229.08282	2.0
229.11815	4.2
229.15492	100.0
230.15810	0.7
233.62140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1551
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01865	0.6
55.05505	0.7
56.96569	2.4
57.03428	0.8
58.06340	0.4
58.06604	5.4
59.04994	0.3
59.07376	1.1
60.07878	0.4
60.08168	6.8
61.02940	1.6
67.05472	0.2
67.32211	0.2
68.00251	0.3
68.05025	1.1
68.45072	0.3
69.03425	1.0
69.88905	1.3
70.06597	29.8
70.98116	0.5
71.05013	0.3
71.94051	0.2
72.08170	0.6
73.02906	0.9
74.00240	0.3
81.03423	0.3
81.07074	0.3
82.99860	0.7
83.00822	0.3
83.04983	0.5
85.02890	1.1
86.09694	0.3
89.00777	0.4
91.05497	0.3
93.07026	0.4
93.17871	0.2
96.08134	1.4
97.02916	0.7
98.01295	2.2
98.06024	0.6
98.21510	0.3
98.97591	5.2
101.00890	5.4
101.99721	0.3
102.01570	0.4
103.00608	0.2
103.02470	0.3
107.01832	0.4
110.97567	0.5
111.00278	0.7
111.02138	1.2
111.02816	0.3
113.00866	0.5
114.05547	3.8
114.09198	1.2
115.02419	0.5
116.07076	0.8
116.98623	1.2
117.00215	0.4
117.01852	0.5
118.01120	0.3
119.01932	7.8
120.02628	2.6
120.19950	0.2
121.01692	0.3
121.06535	2.6
122.06808	0.5
123.00234	0.4
124.01044	0.6
124.07604	2.8
124.34653	0.2
125.04498	0.3
126.09140	0.8
126.98810	0.3
127.02407	0.6
127.03963	0.3
128.98694	0.4
129.00185	0.3
129.03120	3.1
131.01909	1.4
132.00745	0.7
133.01556	0.3
133.03464	1.1
137.01990	0.3
137.02954	1.5
137.05989	0.7
138.00757	0.7
138.03648	0.3
139.01500	0.3
142.08649	29.1
143.00172	0.3
143.01927	0.9
143.05537	1.0
144.99821	0.6
145.03453	1.2
146.99614	0.3
147.01300	1.4
153.01250	0.3
157.03529	0.5
158.04947	0.3
158.99651	1.0
159.05014	0.3
160.02063	0.6
160.06421	0.4
161.01154	0.3
161.02979	1.2
161.06625	0.3
163.03970	0.3
168.99904	0.5
169.02568	8.0
169.52779	0.6
170.08154	1.7
172.97588	0.4
173.02992	0.5
174.01900	0.2
175.02621	1.8
175.04329	0.4
177.02452	0.3
178.03137	3.7
183.14940	0.4
184.03174	0.4
184.04700	0.3
185.06607	2.4
187.00957	1.6
187.02521	0.3
187.04491	1.5
191.03889	0.7
197.01128	0.4
199.03711	0.9
205.01958	0.5
205.05617	0.6
206.07100	0.6
211.04504	0.9
215.00375	0.8
219.03580	0.9
220.04190	2.1
224.08154	0.4
229.05618	5.8
229.15491	100.0
230.15846	0.9
239.04329	0.5
247.06671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1016
Annotation	Aucuparin
Peak:m/z	Relative Intensity
55.01883	4.0
60.66544	0.5
69.91658	3.0
79.63757	0.5
86.41505	0.6
87.57449	0.5
92.66396	0.6
95.04988	2.0
103.05483	0.8
112.04092	0.5
115.05457	3.3
117.07030	2.6
128.06227	8.9
129.07014	15.3
130.07803	1.7
131.08600	2.0
141.06998	4.5
141.24797	0.7
142.07784	2.9
143.04935	0.8
143.08577	7.4
144.05716	1.9
145.06499	15.3
145.10217	0.7
155.04898	1.7
155.06042	0.7
156.05731	4.5
157.06493	22.4
158.07280	14.5
159.08075	9.3
160.08850	2.2
161.06032	1.0
168.05737	1.6
169.06482	2.4
170.07275	6.4
171.08043	11.4
172.08841	46.5
173.05995	36.2
173.09509	2.7
174.06638	1.4
175.07588	0.9
177.09146	0.6
183.04350	0.6
183.08067	0.8
185.05945	3.9
186.06776	6.2
187.07547	14.7
188.08331	74.4
189.09097	3.4
197.06067	0.7
198.06790	2.9
199.07555	1.7
200.08356	7.0
201.05499	4.7
201.09113	51.0
202.07741	1.9
202.09804	3.0
203.10667	47.4
213.09134	5.0
216.07829	16.5
223.79222	0.6
231.08087	8.2
231.10158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1017
Annotation	Naproxen
Peak:m/z	Relative Intensity
50.76890	0.8
53.03944	4.0
55.01878	6.1
55.05516	2.0
65.03933	2.4
67.05508	7.5
69.03418	3.4
70.42532	2.0
70.42931	1.5
71.04981	4.7
77.03928	2.0
79.05069	1.2
79.05494	16.8
81.03417	2.5
81.07027	1.1
83.04991	2.6
91.05486	11.4
93.07048	7.3
95.04972	11.4
97.02882	3.9
98.20871	1.1
98.97533	1.2
99.04484	4.5
105.04530	1.4
105.07037	13.4
107.04969	4.0
107.08612	1.2
108.05723	1.2
109.02869	2.0
109.06519	2.4
111.04442	2.4
115.05450	4.0
117.07018	5.1
118.70537	0.8
119.04950	6.9
119.08584	2.7
121.06512	17.3
123.04437	3.2
127.03957	1.4
128.06238	6.8
129.07010	18.3
130.07823	1.1
131.04951	2.9
131.08574	10.2
133.06496	25.9
133.10146	1.2
135.04459	1.8
135.11671	1.2
141.06993	13.3
142.07793	61.5
143.08571	9.0
144.05704	3.0
144.09354	1.7
145.06496	15.7
145.10114	1.5
146.07289	3.4
147.08023	2.5
149.05931	2.3
152.06233	5.9
152.41933	1.0
153.07005	5.4
154.07777	13.1
155.06108	1.7
155.08539	1.9
157.01840	0.9
157.06522	7.0
157.10141	35.3
158.07291	11.2
159.08078	21.1
159.11732	8.1
161.05956	1.3
161.09612	2.2
165.06989	2.8
166.07822	1.5
167.08575	9.4
169.06432	1.5
169.07721	2.2
169.10153	6.6
170.07291	12.0
171.08075	7.7
172.08881	10.1
185.09630	73.0
187.09497	2.0
187.11191	41.7
189.05466	1.6
189.09135	2.8
195.08026	7.4
197.05936	1.0
197.69785	1.0
198.06760	9.4
203.10657	2.8
213.09117	100.0
214.09476	1.6
214.81325	1.0
231.10184	44.4
231.13837	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	231.1018
Annotation	Naproxen
Peak:m/z	Relative Intensity
53.03943	2.4
55.01886	4.9
55.05500	2.7
56.96555	2.9
61.99883	0.9
67.05488	3.5
69.03436	7.0
69.07053	2.3
69.21387	0.8
71.04986	1.1
71.56843	1.1
79.05508	9.3
81.03419	2.9
81.07048	2.9
83.04955	2.0
85.02893	2.6
87.00825	1.1
91.05483	7.2
93.07051	6.4
95.04971	4.9
95.08622	2.4
97.06537	1.0
99.04442	2.6
103.05445	2.4
105.07050	5.9
107.04939	2.9
107.08599	2.4
109.06505	2.5
109.10178	1.4
111.04451	2.0
115.05457	3.7
116.06198	1.0
117.07018	3.4
119.04916	3.3
119.08620	4.4
121.06521	11.9
121.10146	1.1
123.04462	1.1
123.11717	1.2
127.03968	1.0
128.06230	8.7
129.07021	18.5
130.07791	2.3
131.04872	1.3
131.08568	6.9
133.06477	3.2
133.10153	1.8
133.82027	0.8
135.11679	1.3
141.06993	6.9
142.07800	22.3
143.08586	13.4
144.05748	1.9
144.09386	1.1
145.06502	18.3
145.10117	3.9
146.07239	2.4
147.08032	1.3
147.11682	2.8
149.05908	1.6
152.06189	2.1
153.07014	1.9
154.07758	3.5
155.06038	1.0
156.05713	2.3
156.09303	2.8
157.06511	18.3
157.08920	1.5
157.10135	17.2
158.07275	12.0
159.08058	11.6
159.11720	5.1
161.05896	1.4
161.09634	2.6
165.06906	1.1
167.08554	1.5
169.06430	2.9
169.10107	2.2
170.07332	8.8
170.11038	0.9
171.04410	1.3
171.08061	9.7
171.11722	6.6
172.08852	33.1
173.06001	21.6
173.09613	3.3
173.13275	1.0
174.06781	1.1
175.07558	1.6
175.11171	1.8
183.08109	1.0
185.03050	1.1
185.05997	2.9
185.09645	28.4
185.13226	1.6
186.06729	3.5
187.06024	1.5
187.07555	11.0
187.11172	13.2
188.08334	50.5
189.09047	2.4
198.06815	5.5
199.07521	1.5
199.11171	1.4
200.08328	4.5
201.05463	2.6
201.09134	37.9
202.07880	2.0
202.09859	1.8
203.08629	3.0
203.10670	36.2
213.09131	40.2
213.12469	2.0
213.16310	1.9
215.07077	1.0
216.07841	9.2
231.08125	8.3
231.10167	100.0
231.13547	9.0
231.17491	6.8
231.21118	2.1
233.05414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1018
Annotation	Naproxen
Peak:m/z	Relative Intensity
53.03952	5.2
55.01878	4.8
55.05508	1.6
65.03926	2.0
67.05502	6.6
68.99792	1.2
69.03413	2.0
70.33671	3.9
71.04983	4.5
71.08191	1.1
77.03963	1.6
79.05500	20.5
83.04994	1.4
91.05477	8.5
93.07077	5.1
95.04971	11.9
97.02908	5.1
98.21532	0.9
99.04481	4.8
103.05445	2.3
105.07037	13.9
107.04948	3.9
109.02912	1.8
109.06509	2.4
111.04469	1.3
115.05447	4.6
117.07011	3.6
119.04938	7.3
119.08585	3.5
121.06519	15.6
121.41124	1.0
123.04441	3.6
128.06215	8.0
129.07016	19.4
130.07765	1.2
131.04942	1.8
131.08588	9.5
132.05688	1.9
133.06500	27.0
134.07227	2.2
135.04402	1.9
141.07007	11.2
142.07787	60.2
143.08571	7.5
144.05670	2.4
144.09312	3.0
145.06499	16.0
145.10130	2.1
146.07265	4.8
147.08061	1.8
152.06235	6.2
153.07019	4.7
154.03117	0.9
154.07762	11.0
155.08553	2.0
157.06546	4.6
157.10141	33.6
158.07266	11.7
159.08075	17.5
159.11673	5.8
161.09625	2.1
165.06989	2.9
167.08588	10.3
169.06483	2.8
169.10118	8.7
170.07291	10.5
171.08020	7.9
172.08855	9.0
176.91325	1.1
177.41632	1.0
185.09630	74.2
187.11194	40.7
187.12503	0.9
189.05605	1.0
189.08899	1.8
195.08041	6.9
198.06789	10.6
203.10674	2.5
213.09122	100.0
231.10179	40.4
231.13686	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1382
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
52.16054	0.9
52.68416	0.9
53.03935	3.7
55.01861	3.9
55.05507	4.9
56.96571	7.4
57.03430	1.3
57.07064	4.1
58.07393	2.7
58.29353	1.0
59.05007	1.1
62.06072	2.7
65.03947	1.7
65.61170	1.1
67.05506	5.6
69.03443	5.9
69.03750	1.0
69.07065	2.4
71.04977	2.2
71.08624	1.2
71.56241	0.9
71.56663	1.5
73.27763	1.1
74.20722	0.9
75.62762	1.0
77.03927	1.2
79.05064	1.9
79.05499	27.2
81.03408	3.6
81.07059	13.4
82.15398	1.0
83.04967	2.4
87.04461	1.4
91.04977	1.2
91.05487	19.1
93.07046	11.6
95.04989	6.0
95.08595	3.3
97.06507	1.3
98.97577	1.7
98.98470	1.6
99.04433	1.8
103.05391	1.3
105.03365	1.3
105.04568	1.5
105.07042	18.7
107.04947	3.8
107.08575	4.0
109.06493	3.1
109.10146	1.2
111.04423	2.9
115.05437	5.5
117.07024	14.0
118.07798	2.1
119.04945	4.2
119.07785	1.8
119.08587	25.5
121.06513	10.8
121.10148	2.1
123.08024	1.5
125.06000	1.8
128.06215	20.2
129.07013	33.9
130.07765	4.5
131.00175	1.5
131.04953	2.4
131.08563	12.1
133.06525	4.4
133.10118	4.6
135.11729	1.4
137.05865	1.0
141.06989	15.4
142.07788	56.5
143.08569	58.8
144.05734	2.2
144.09309	4.1
145.06482	16.2
145.10127	21.3
146.07216	1.9
147.08061	2.0
147.11684	2.2
149.01187	1.4
149.09564	1.0
151.07516	4.1
152.06189	3.8
153.06941	3.1
154.07791	11.4
155.08568	5.9
156.09351	40.6
157.06563	7.1
157.10135	47.5
158.07307	10.1
158.10849	1.4
159.08070	13.6
159.11699	10.5
161.05989	1.3
161.09509	1.3
163.07486	4.2
165.06999	3.7
166.07767	4.4
167.02290	1.3
167.08569	4.0
169.06468	2.9
169.07823	1.3
169.10135	8.4
170.07253	6.7
171.08083	8.2
171.11696	100.0
172.08823	9.1
172.12393	2.8
173.07346	1.0
173.09630	2.1
173.13174	1.7
175.07542	1.3
175.11186	1.4
181.10101	3.7
183.08095	2.1
184.08815	6.6
185.03117	1.2
185.09630	46.0
185.13251	2.4
187.11200	37.0
189.09088	3.9
189.12796	2.1
195.08160	3.0
198.06728	4.5
198.46236	1.2
199.11188	46.5
201.09038	1.2
203.10669	3.2
203.14333	2.8
210.09001	1.4
213.09116	94.5
213.12511	2.2
213.16533	1.9
213.23979	2.2
231.06610	4.8
231.10199	28.7
231.13794	43.8
231.17224	5.1
231.21172	3.1
231.25130	36.9
232.80736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1382
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
53.03932	3.5
55.01856	2.4
55.05497	2.9
56.96562	1.6
65.03954	1.4
67.05486	4.1
69.03416	2.8
69.07058	2.1
69.36405	0.9
70.32761	1.8
70.33115	2.2
71.05003	1.7
73.59315	1.0
77.03963	0.8
79.05077	0.9
79.05502	17.5
81.03429	1.3
81.06664	0.9
81.07069	12.6
83.04984	1.8
83.08602	1.7
91.04965	1.3
91.05483	15.1
93.07068	6.9
95.04957	3.4
95.08595	2.8
97.24129	0.9
98.68220	1.0
99.04443	2.6
103.05441	1.9
105.04504	1.0
105.06386	1.4
105.07042	16.6
107.04931	2.6
107.08572	3.9
109.06511	1.3
109.10134	1.3
111.04472	1.9
115.05453	3.3
117.07013	9.6
118.07842	2.0
119.04935	3.7
119.08593	14.7
121.06492	3.4
121.10150	1.4
123.08076	1.9
123.11710	1.2
127.05530	0.9
128.06236	17.8
129.07019	22.3
130.07803	5.0
131.04927	3.1
131.08591	8.9
133.06499	5.0
133.10132	3.8
135.08025	1.2
135.11740	1.1
137.06056	1.0
141.06995	9.3
142.07793	25.4
143.08569	67.2
144.05846	0.9
144.09343	1.7
145.06511	4.6
145.10135	21.1
147.08078	1.9
147.11684	1.6
149.09531	1.0
151.07529	3.0
154.07762	2.2
155.06004	1.2
155.08595	4.2
156.09363	39.8
157.06494	5.8
157.10139	22.1
158.07269	4.1
158.10837	1.3
159.08107	4.7
159.11710	5.2
161.09599	1.5
163.07516	8.6
165.06970	2.8
166.07755	3.0
169.06422	1.4
169.10121	2.0
170.07254	3.3
171.08090	6.2
171.11705	100.0
172.08789	3.0
172.12459	3.9
173.09647	1.5
173.13289	1.5
175.07565	1.6
177.09088	1.3
181.10130	6.0
183.08241	1.2
184.08838	4.4
185.03014	2.1
185.09631	15.1
185.13249	1.4
187.11243	6.9
187.14838	1.0
189.09093	3.4
189.12672	1.0
195.08130	1.3
198.06825	2.1
199.11195	42.1
203.10684	2.8
203.14377	1.5
208.04605	1.4
213.05756	1.0
213.09146	16.9
213.16367	1.7
231.06503	2.2
231.10258	8.5
231.13805	41.4
231.17169	5.1
231.21097	1.3
231.25142	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01867	3.1
55.05513	7.8
57.07061	5.1
62.71656	1.3
64.03980	1.3
65.26765	1.6
67.05227	1.3
67.05508	15.9
69.03429	2.9
69.07069	6.1
70.84667	3.7
71.05000	6.5
73.02913	1.5
79.05499	47.9
81.03432	1.7
81.07063	33.3
83.04983	11.9
83.08624	3.0
85.06541	2.5
91.05493	16.1
93.07054	88.7
95.04967	2.2
95.08051	2.6
95.08617	31.7
97.06530	3.6
98.97565	1.7
102.38940	1.3
105.07047	6.4
107.04966	3.3
107.08612	22.9
109.06496	1.8
109.10188	3.5
111.04443	3.2
111.08091	2.2
113.05984	2.2
113.09630	3.9
117.07024	6.2
119.08595	4.3
121.06522	11.6
121.10139	6.1
123.08020	2.1
125.05975	2.3
128.06197	1.8
129.06967	2.0
131.08563	5.6
133.06476	2.9
133.10170	12.7
135.08067	10.5
135.11702	100.0
139.07552	5.6
142.07803	3.5
143.08588	2.0
144.08102	2.6
145.06526	2.4
147.04420	2.8
149.09549	1.3
149.13293	19.2
153.09096	5.0
153.12721	1.5
157.10075	2.9
159.08113	1.5
159.11720	20.2
164.27167	1.4
177.12759	37.6
185.09634	4.5
187.11209	3.4
195.13832	26.8
213.09143	8.4
213.14859	4.6
231.06541	2.4
231.10115	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	231.1592
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.01865	2.2
55.05511	9.7
57.03433	4.2
57.07071	4.2
67.05173	2.5
67.05507	32.0
69.03428	14.7
69.07067	21.4
71.04992	32.9
71.57166	1.3
71.57561	1.9
79.05496	27.7
81.03386	2.1
81.06633	2.2
81.07062	22.6
83.04989	11.4
83.08609	4.5
84.71122	1.3
85.06525	2.6
85.10167	1.7
87.04458	1.6
91.05475	6.8
93.07047	34.6
95.08607	20.8
96.99001	1.3
97.06539	7.4
97.98681	1.3
105.07037	2.7
107.04923	1.6
107.08593	24.5
109.06478	2.3
109.10155	21.4
111.04450	28.3
111.08083	4.3
115.03971	1.4
117.06985	2.0
119.08571	2.0
121.10130	4.5
125.05984	5.3
129.05490	40.8
129.06944	3.5
131.08592	1.6
133.10117	6.3
135.08073	2.3
135.11693	100.0
139.07526	2.8
142.07776	4.0
149.09604	1.7
149.13269	10.1
153.12747	85.5
155.25342	1.3
157.10110	3.6
159.08011	2.4
159.11681	5.2
161.39508	1.3
168.99495	1.3
177.12773	14.0
185.09622	5.9
187.11169	2.8
195.13809	20.2
195.17436	3.2
213.05409	2.0
213.09163	7.7
213.14832	19.6
231.10156	5.3
231.13811	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03953	0.3
53.11609	0.2
55.01891	0.2
55.05512	9.2
56.05030	0.4
56.41489	0.2
56.53024	0.2
56.96558	0.8
57.03446	0.2
57.05819	0.9
69.03425	0.3
71.30499	0.4
72.08156	100.0
85.02897	0.4
86.09708	4.7
97.02935	0.3
98.97592	1.3
105.07055	0.2
109.06577	0.3
110.97607	0.3
111.04496	0.3
121.02850	1.3
132.10214	3.2
139.03996	0.2
143.00232	0.3
144.05638	0.2
155.06999	0.2
163.03935	0.3
185.16490	1.3
231.06659	0.8
231.10248	0.3
231.17030	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	231.1745
Annotation	2-Polyprenylphenol
Peak:m/z	Relative Intensity
54.70713	3.8
55.01870	6.5
55.05509	11.6
57.03409	4.1
57.07077	4.6
67.05505	17.9
69.07079	23.2
71.04993	11.6
71.39355	10.0
79.05501	17.1
81.07064	37.0
86.17088	4.2
90.33707	4.1
91.05485	17.6
93.07066	36.4
95.04969	5.7
95.08615	100.0
95.15161	3.7
97.06540	7.7
105.07040	48.4
107.04913	4.1
107.08605	32.8
109.06508	37.5
109.10161	36.3
111.04449	4.5
111.99722	4.6
117.07065	4.0
119.08592	53.9
121.06538	7.0
121.10156	94.5
123.08044	9.5
123.11708	25.6
129.07002	6.9
131.08591	16.4
133.07593	6.8
133.10162	36.2
135.08093	4.3
135.11700	12.8
142.07793	18.2
143.08533	12.8
145.10150	29.7
147.08038	8.7
147.11699	17.4
149.13252	6.0
157.10127	64.0
159.11710	9.4
161.09612	11.3
161.13318	9.4
170.10942	6.9
171.11716	19.5
173.13289	20.8
175.11218	23.3
185.13272	6.8
187.14775	10.0
213.16359	22.4
231.06349	7.6
231.17455	45.5
231.21046	6.6
233.05080	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	231.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
53.60206	0.9
55.05504	5.9
57.07058	1.8
58.38869	0.9
62.00966	0.8
65.53551	0.9
67.05510	15.0
69.07072	8.7
69.08595	0.9
69.44948	4.0
69.45374	2.8
79.05487	3.9
81.07056	22.9
83.08615	4.2
90.40864	0.9
91.05487	5.2
93.07042	17.3
95.08610	49.6
97.10149	2.7
105.07042	12.1
107.08591	23.9
107.09302	1.8
109.10159	26.7
119.08597	9.8
121.09310	1.7
121.10146	25.5
123.11713	26.0
133.10133	9.9
134.33104	0.9
135.11699	30.4
136.12051	1.0
137.13290	4.3
145.10046	1.4
147.11697	10.5
149.13272	13.5
161.13254	14.4
163.14787	1.4
171.71944	0.8
175.14839	15.8
185.20587	1.1
188.15596	1.5
189.16393	11.5
193.80713	0.8
231.21085	100.0
232.21321	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79245	1.0
64.72128	1.0
69.53684	8.2
86.09674	1.8
96.92750	1.0
98.21350	2.3
102.20656	1.4
143.68153	1.2
159.42255	1.3
161.47034	1.7
233.06328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67192	12.0
56.96572	29.2
57.79872	12.1
61.02927	19.2
67.45062	12.3
70.99366	30.4
82.99843	18.4
85.02910	22.8
86.09724	77.4
92.25517	11.5
98.20863	17.6
98.97609	71.6
99.96162	13.0
101.00903	84.2
110.97578	16.0
113.00896	13.5
113.03456	16.8
115.02454	35.4
116.98649	12.3
119.01929	59.9
131.01950	18.5
133.03479	100.0
143.01926	41.9
151.04523	16.6
161.02971	57.1
173.03018	56.4
183.35686	14.7
187.02753	16.1
191.04054	89.7
191.73697	12.5
208.01694	12.1
219.01741	14.0
223.98257	12.1
233.04826	50.1
233.06700	22.7
233.08566	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	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	7.0
69.49486	23.1
69.49903	9.6
72.08166	26.9
86.09703	48.0
115.16535	4.4
123.69166	4.1
136.18372	4.3
143.01894	5.8
196.84972	4.0
233.04297	9.2
233.06334	100.0
233.10147	4.5
250.78775	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	233.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84743	0.9
68.08975	0.7
70.48891	2.5
84.08097	0.9
86.09721	0.9
89.53848	0.7
98.20990	1.7
143.01932	1.6
148.26360	0.8
161.02971	1.0
233.06339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.9
56.96558	5.7
63.80685	1.5
70.26523	6.2
72.08156	24.2
76.26819	1.5
84.08150	3.7
86.09708	16.8
96.37078	1.6
98.97598	1.8
100.81977	1.6
100.99102	2.5
101.00880	2.8
119.01886	1.9
128.98557	2.4
143.01904	3.5
161.02971	3.6
208.99759	2.7
233.04384	6.0
233.06334	100.0
239.57060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.081
Annotation	Ancistronaphthoic acid A
Peak:m/z	Relative Intensity
55.05507	1.3
58.34165	0.7
67.05506	1.5
69.07072	1.4
71.59049	1.4
73.02915	0.9
79.05503	3.6
81.07059	2.1
91.05489	7.6
93.07062	1.9
95.08624	2.8
103.05464	3.6
105.07028	2.7
107.04987	5.1
107.08610	2.2
109.06528	1.4
115.05452	9.4
116.06244	1.7
117.07026	22.4
119.08578	6.2
121.06499	1.0
121.10188	1.3
127.05408	1.7
127.39660	0.8
128.06238	15.8
129.07021	65.8
131.04933	7.8
131.08565	3.3
132.05745	1.0
135.04404	1.3
135.08092	1.6
135.11664	1.4
137.06020	1.5
143.04950	3.4
144.05702	2.9
145.06496	63.4
145.10138	3.2
147.08057	24.3
147.11726	1.1
149.09682	1.2
155.04933	35.3
155.06046	3.3
157.06505	83.6
159.04443	4.8
159.08080	1.0
159.11702	2.1
160.05150	1.1
161.06003	9.4
163.07590	1.1
167.04982	0.9
172.05244	3.1
173.05992	23.1
173.13345	1.7
174.06807	9.2
175.07567	34.0
185.05988	33.9
187.07562	100.0
188.04715	1.1
189.05495	1.6
191.14351	3.6
197.05995	2.5
203.07051	10.5
205.08575	2.1
215.07050	29.0
215.09082	1.5
215.17950	2.8
233.07996	16.9
233.11819	2.9
233.15355	10.6
233.19035	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.6
63.27890	1.4
67.05504	3.6
69.03420	4.8
69.07059	2.9
69.46827	2.8
69.47230	7.5
74.71147	1.3
79.05518	12.0
81.07050	3.7
91.05471	11.5
93.07047	9.3
95.04977	6.4
98.97588	2.0
99.04455	3.4
105.07028	24.6
107.04974	13.0
107.08569	4.8
109.06500	1.7
117.07031	11.1
118.54273	1.5
119.04972	9.2
119.08557	5.1
121.06515	12.4
125.05927	1.5
128.06248	1.6
129.07019	3.9
129.47641	1.3
130.07790	6.4
131.08551	5.4
133.06512	2.5
133.10127	2.6
135.04477	2.3
135.08034	6.4
135.11707	3.6
137.05980	2.4
141.06984	2.5
143.08517	5.2
144.09335	2.9
145.06458	4.7
145.09045	3.0
145.10138	51.0
147.11673	4.9
154.07767	2.0
155.08536	1.9
158.07274	3.5
159.08057	4.0
159.11732	12.0
160.74570	1.4
162.46606	1.3
163.11200	60.5
165.44603	1.3
169.10214	7.1
171.11731	1.4
172.08820	3.1
173.09634	100.0
179.08530	2.0
187.11197	27.9
189.12695	2.1
191.10646	6.2
197.09631	5.8
205.12257	3.6
215.10693	22.8
233.08072	2.1
233.11723	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	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03936	2.4
55.01881	2.5
55.05499	1.7
62.22128	1.1
62.46017	1.1
67.05503	4.4
69.03426	4.6
69.07053	3.7
69.41755	1.2
69.41960	3.3
69.42364	5.7
71.04983	1.9
79.05497	11.8
81.07047	3.7
83.04980	1.7
91.05485	10.2
93.07053	6.8
95.04973	5.2
98.20972	4.7
99.04458	4.4
103.05450	1.4
105.07036	25.2
107.04960	20.5
107.08585	4.7
109.06482	2.7
111.59602	1.2
113.06035	1.3
117.07023	13.1
119.04937	4.1
119.08585	8.8
121.06506	13.8
121.10170	2.6
128.06175	1.9
129.06979	4.6
130.07794	8.8
131.08588	8.0
133.06490	3.2
133.10133	2.2
135.04404	1.2
135.08055	2.4
135.11732	2.0
141.06995	1.8
143.08557	7.1
144.09351	2.9
145.06483	5.0
145.10132	61.9
147.08035	2.6
147.11726	7.2
148.08856	3.0
149.05927	1.8
154.07759	2.0
158.07253	3.8
159.08054	4.7
159.11694	15.3
163.11192	92.2
169.10181	5.8
172.08858	2.9
173.09634	100.0
187.11194	27.7
189.12769	4.8
191.10727	7.5
197.09598	5.1
205.12268	4.7
215.10687	24.3
233.11748	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03942	1.7
55.05494	2.8
67.05501	1.7
68.99787	1.4
69.03430	3.5
69.07068	2.8
70.31991	3.0
70.32391	2.9
71.04968	1.4
71.76281	1.2
79.05503	13.4
81.07047	2.1
91.05495	9.3
91.65644	1.4
93.07064	7.8
95.04955	5.8
96.63626	1.3
97.06522	1.5
99.04446	3.4
105.06380	2.1
105.07040	23.4
107.04967	18.4
107.08612	2.5
109.06490	2.5
110.14128	1.3
117.07040	11.9
119.04945	3.1
119.08573	6.6
121.06514	9.8
121.10162	2.2
128.06279	1.4
129.06969	3.8
130.07779	7.3
131.08580	9.1
133.06509	2.6
133.10132	1.5
135.08072	3.1
135.11736	1.5
141.06888	1.3
143.08560	3.4
144.09315	2.8
145.06477	4.5
145.10136	58.9
147.11710	4.9
148.08865	5.0
149.06146	1.3
154.07822	3.1
155.08650	1.9
156.09412	1.5
158.07220	2.9
159.08060	3.3
159.11700	11.8
163.11194	90.5
169.10179	4.9
172.08904	1.3
173.09642	100.0
187.11206	25.7
187.59578	1.4
189.12732	2.8
191.10686	5.7
197.09676	2.8
205.12279	4.4
205.28233	1.3
215.10678	21.2
233.11732	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	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03949	1.9
55.01875	1.4
55.05500	1.6
57.07073	1.4
67.05490	4.7
69.03419	4.3
69.07057	5.3
71.04992	3.2
71.59090	1.4
71.59489	1.9
79.05493	15.9
81.03423	2.0
81.07067	6.6
83.04987	1.7
85.06519	1.1
91.05488	13.2
92.49957	1.3
93.07056	11.2
95.04951	6.6
95.08588	2.6
99.04443	4.4
103.05479	3.1
105.03351	1.4
105.06380	2.5
105.07036	26.9
107.04971	16.4
107.08589	5.4
109.06503	3.4
109.10172	2.5
111.08111	1.3
115.05481	3.0
116.06250	2.2
117.07027	19.3
119.04919	3.5
119.08601	10.8
121.06503	13.5
121.10147	4.2
123.04380	1.9
128.06227	4.0
129.06999	7.0
130.07777	8.4
131.04930	3.4
131.08583	10.7
133.06470	3.5
133.10115	4.3
135.04352	1.8
135.08017	4.4
135.11676	3.4
137.05981	2.9
141.07002	2.2
143.08574	8.4
144.05673	1.9
144.09326	3.2
144.38168	1.2
145.06526	8.4
145.10133	66.5
147.08040	4.3
147.11703	9.0
148.08885	3.0
149.02379	1.4
154.07773	3.5
155.04922	2.4
155.08499	2.8
156.09357	2.4
157.06529	2.9
157.10121	2.7
158.07256	7.1
159.08080	5.1
159.11717	16.9
160.05165	1.7
161.78021	1.4
163.11189	89.8
169.10141	6.5
171.08125	1.8
171.11659	2.2
172.05205	1.9
173.05936	3.7
173.09630	100.0
175.07529	3.2
175.11177	3.2
177.09129	3.0
187.07547	3.6
187.11194	31.3
187.14766	2.0
188.08292	1.9
189.09091	2.3
189.12698	3.8
191.10661	6.6
191.14316	1.4
197.09633	2.9
201.05542	1.6
201.09119	2.3
203.07045	4.2
203.10704	1.8
205.08606	3.1
205.12236	5.4
205.15820	1.7
215.07042	4.6
215.10689	22.9
215.14322	3.7
233.08032	12.0
233.11714	33.8
233.15341	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	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.02374	0.4
51.30590	0.4
53.03943	2.1
55.01880	2.2
55.05506	1.6
55.51709	0.4
56.96560	0.7
65.03930	0.5
67.05512	3.4
68.99816	0.5
69.03436	3.6
69.07088	3.3
71.04994	2.1
77.03951	0.5
79.05055	0.9
79.05495	12.2
79.05952	0.6
80.01358	0.4
81.03407	0.9
81.07061	5.4
83.04981	2.5
87.00844	1.1
87.77531	0.4
91.05485	9.8
93.07049	9.0
95.04965	5.9
95.08623	1.9
97.06541	1.6
98.97581	0.5
99.04465	3.1
99.05006	0.4
103.05472	1.1
105.07035	23.2
107.04963	14.5
107.08614	4.4
109.06513	3.3
109.10169	1.1
110.70040	0.4
110.70988	0.5
111.04453	0.4
115.05478	1.5
116.06218	0.7
117.07024	12.3
119.04945	7.7
119.08591	7.2
121.06511	12.5
121.10159	1.7
123.04490	0.7
123.14544	0.4
125.06027	0.8
127.11217	0.6
128.06207	2.1
129.07001	3.5
130.07796	6.8
131.04947	0.8
131.08568	9.2
133.06519	2.9
133.10141	2.3
134.07292	0.4
135.04405	1.9
135.08086	2.8
135.11700	2.2
137.05945	2.4
141.07021	3.1
143.01900	1.4
143.08604	5.4
144.05624	0.5
144.09317	2.1
145.06479	5.9
145.10132	49.9
147.08017	1.5
147.11699	6.7
148.08838	2.1
151.07574	0.7
153.06943	0.5
154.07776	3.3
155.08604	2.1
157.06448	0.6
157.10086	1.2
158.07266	4.2
159.08067	4.7
159.11700	11.5
161.03008	0.9
161.09612	1.1
161.13231	0.5
163.11191	52.8
164.11525	0.6
167.08545	0.6
169.10127	6.6
171.08124	1.2
171.11685	0.9
172.08873	2.2
173.09630	100.0
174.10056	0.7
175.07660	0.8
177.12820	0.8
178.07700	0.5
179.08537	1.8
182.07275	1.6
185.09627	0.5
186.18654	0.7
187.11195	23.9
189.12715	3.0
191.10680	5.6
193.68347	0.6
197.09630	7.5
203.06923	0.5
205.12294	4.3
215.10695	22.8
233.08159	0.9
233.11725	22.4
233.15465	1.0
233.19063	0.7
234.12144	0.5
234.20691	1.1
241.91133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
52.51340	0.6
53.03952	2.6
55.01878	4.4
55.05512	6.9
55.28600	0.8
59.05009	1.5
61.49573	0.8
65.03949	1.8
67.05515	7.7
69.03436	2.7
69.07065	1.3
70.33162	1.8
71.04999	6.8
77.03936	1.2
79.05501	16.6
81.03442	1.8
81.07075	4.6
83.04978	3.3
91.05488	19.0
93.07054	11.6
95.04982	13.1
95.08636	0.7
97.02911	1.3
97.06534	4.3
97.48925	0.6
99.04462	14.2
101.06013	1.4
103.05495	1.7
105.04557	0.7
105.07040	29.5
107.04949	6.4
107.08595	3.1
109.06509	3.1
111.04456	0.6
115.05444	3.7
116.06226	1.0
117.07038	14.7
119.04945	5.8
119.08599	7.9
121.06514	29.9
121.10203	0.8
125.05991	1.6
128.06210	4.5
129.07019	7.1
130.07805	8.8
131.04967	1.2
131.07607	1.1
131.08578	19.8
131.09515	1.3
133.06480	4.8
133.10141	11.7
134.07233	1.0
135.04436	2.9
135.08078	5.8
137.05957	0.8
139.07567	1.4
141.06998	6.6
142.07727	3.4
143.08563	10.5
144.05737	1.7
144.09364	10.0
145.06506	17.3
145.10133	51.7
146.07289	1.3
147.08055	2.7
147.11699	1.2
149.05992	1.1
151.07481	1.1
153.07001	1.2
154.07794	6.5
155.08559	8.0
156.09351	1.5
157.06522	2.1
157.10121	6.7
158.07288	19.2
159.08081	21.0
159.11702	33.5
160.08794	0.9
161.09587	1.3
163.11203	2.0
167.08543	1.0
169.10138	16.9
171.08113	3.4
171.11656	1.0
172.08846	10.8
173.09637	100.0
174.31993	0.7
175.07501	0.8
178.39203	0.7
179.08546	4.1
181.06528	1.2
182.07285	3.0
187.11200	79.5
188.11526	0.7
191.10678	3.6
197.09639	12.5
197.11345	0.9
205.12265	6.7
215.10695	74.3
222.89879	0.7
233.08083	1.3
233.11736	47.2
234.11996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.02375	1.2
52.53411	1.1
55.01868	3.6
55.05505	1.5
55.40788	1.1
58.98425	1.2
59.57835	1.3
61.29162	1.2
65.03949	1.9
67.05508	7.1
69.03418	3.3
69.44073	8.2
71.04986	4.5
79.05495	4.4
81.03439	1.1
81.07072	3.8
91.05481	13.1
93.07037	5.4
95.04968	13.5
99.04460	11.5
103.05447	1.5
105.07040	28.2
107.04944	2.8
107.08575	2.3
109.06544	1.4
113.06038	1.4
115.05464	1.9
117.07020	17.1
119.04958	3.4
119.08595	7.5
121.06526	8.0
128.06219	3.7
129.06981	11.9
130.07774	7.6
131.08577	22.2
133.06502	3.3
133.10146	23.9
135.08009	2.5
141.06969	6.1
142.07751	4.4
143.08575	9.9
144.05676	1.5
144.09325	12.5
145.06482	12.8
145.10132	58.3
146.07256	1.8
147.08064	2.7
151.07565	1.6
153.06953	1.3
154.07758	5.8
155.08583	3.7
157.10146	9.2
158.07281	9.6
159.08092	12.8
159.11697	45.5
163.11205	6.0
169.10107	14.5
172.08871	7.0
173.09628	42.3
179.08641	3.3
182.07251	1.8
187.11192	87.7
191.10686	5.6
197.09576	7.3
205.12224	9.6
215.10695	100.0
233.11737	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	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03938	2.0
53.37653	1.1
55.01864	5.0
55.05515	7.2
56.96575	1.1
59.05017	1.7
65.03938	1.3
67.05515	6.9
69.03429	1.8
69.07033	1.4
70.80512	2.3
71.04996	6.9
79.05505	14.0
81.07056	3.5
83.04964	2.9
85.38673	1.0
91.05485	18.7
93.07053	9.8
95.04970	10.0
97.02904	2.0
97.06521	3.2
99.04459	15.3
101.05932	0.9
102.80229	1.0
103.05475	2.0
103.84693	1.1
105.07041	30.4
107.04955	6.4
107.08590	3.3
109.06491	2.6
115.05459	3.7
117.07036	12.9
119.04963	4.7
119.08566	7.6
121.06522	25.1
121.10161	1.5
125.05997	2.0
128.06250	3.0
129.06999	8.9
130.07790	6.7
131.04938	1.3
131.08580	21.0
133.06511	4.2
133.10143	16.0
135.04404	3.4
135.08060	3.0
137.06055	1.2
141.06996	4.6
142.07800	3.8
143.08577	8.6
144.05690	1.6
144.09370	8.5
145.06503	20.1
145.10132	52.7
146.07310	2.2
147.08067	2.6
147.11749	1.5
153.06946	2.7
154.07790	6.2
155.08551	5.3
157.06543	2.6
157.10146	8.2
158.07277	18.0
159.08078	20.6
159.11705	36.9
161.09636	1.2
167.08635	1.2
169.10124	14.0
171.08046	3.0
172.08858	10.4
173.09633	100.0
179.08527	2.3
182.07320	2.1
187.11195	88.6
191.10649	6.1
197.09634	8.9
205.12251	4.7
215.10693	95.3
233.11746	39.1
233.15446	2.4
253.10361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03939	3.1
55.01862	7.0
55.05507	9.6
59.05000	2.4
60.19458	1.7
61.86919	1.9
67.05487	8.1
69.03427	3.2
69.68025	3.5
69.68437	7.9
71.04995	10.3
78.51865	1.7
79.05493	15.8
80.32113	1.9
81.03437	2.1
81.07039	5.4
82.65636	1.8
83.04977	3.1
85.12304	1.6
91.05487	18.4
93.07043	16.0
94.98358	1.6
95.04980	10.5
97.06521	4.0
98.20786	3.7
99.04466	15.8
103.05463	1.8
105.04495	2.1
105.07040	29.7
107.04961	6.8
107.08580	3.4
109.06518	3.5
115.05463	4.5
117.07027	14.6
119.04936	7.3
119.08575	8.4
121.06523	38.3
122.46667	1.9
128.06204	3.9
129.07027	9.2
130.07785	10.0
131.08557	19.3
133.06490	5.3
133.10155	14.1
135.08067	5.8
141.07031	4.4
143.08549	11.9
144.05673	2.8
144.09370	7.3
145.06491	26.1
145.10127	56.8
147.08002	3.0
153.06918	3.6
154.07787	6.2
155.06116	2.2
155.08583	8.1
157.06447	2.2
157.10091	6.8
158.07263	25.4
159.08073	25.4
159.11705	38.8
169.10124	17.7
171.08032	2.6
172.08858	9.5
173.09634	100.0
179.08563	5.7
182.07233	4.7
187.11192	81.2
191.10744	3.7
197.09572	11.2
205.12262	6.4
215.10689	74.4
233.09514	4.2
233.11716	58.2
233.15387	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	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
52.24243	1.6
52.78851	1.8
53.03947	3.2
55.01871	6.1
55.05508	5.0
65.03960	3.1
67.05500	16.9
68.99792	2.2
69.03423	12.2
69.07064	3.0
71.04987	5.9
71.23462	3.1
79.05502	19.7
81.07063	12.0
83.04982	4.2
85.06533	4.6
91.05484	34.4
91.10961	1.6
92.83175	2.0
93.07044	23.2
95.04984	18.4
95.08601	4.3
97.06531	4.6
98.97643	2.6
99.04449	11.5
103.05460	4.0
104.42867	2.0
105.07036	59.8
107.04963	21.4
107.08583	10.0
109.06522	7.8
111.04458	2.7
115.03915	2.5
115.05468	6.2
117.07019	24.8
119.04953	65.3
119.08588	16.1
121.02894	2.0
121.06514	35.1
121.10147	3.2
121.36384	1.7
123.04396	2.1
125.06026	2.6
128.06224	4.9
129.06987	11.0
130.07791	11.4
131.04945	2.7
131.08578	29.5
133.06496	6.3
133.10109	13.5
135.04396	3.8
135.08041	5.1
135.11627	2.4
137.06003	3.7
141.07001	8.4
142.07835	2.3
143.08577	12.2
144.05598	2.6
144.09337	10.3
145.06505	17.0
145.10129	100.0
146.07391	2.0
147.08040	6.3
147.11673	5.1
148.08841	2.5
153.06969	2.6
154.07780	10.8
155.08514	5.9
156.09398	2.9
157.10161	5.7
158.07245	7.5
159.08095	10.4
159.11707	50.3
161.09641	4.2
161.13295	2.8
163.07524	3.7
163.11191	81.4
169.10115	24.5
171.08000	3.3
171.11710	5.3
172.08871	8.4
173.09634	84.2
175.07545	6.1
177.12639	3.4
179.08528	5.5
182.07320	5.0
187.11200	98.8
189.12784	3.9
191.10672	9.4
197.09628	23.9
198.19946	1.9
201.36758	1.9
203.07018	3.5
205.12216	16.3
215.10703	87.4
233.08180	3.1
233.11732	63.4
233.15199	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	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
53.03955	0.5
55.01872	0.8
55.05519	1.8
56.05040	15.6
56.96566	6.0
57.03442	6.5
57.07080	0.4
58.06608	3.3
59.05007	0.5
59.87944	0.4
61.02926	1.2
67.05508	1.1
69.03435	5.5
69.07082	0.9
70.06607	0.6
70.27864	1.4
71.01359	0.4
71.05006	0.9
72.08168	1.7
73.02924	6.4
73.06557	1.0
74.03241	0.4
74.06086	100.0
75.04485	0.4
79.05509	0.9
81.03429	1.0
81.07063	1.0
83.04988	0.4
84.04499	3.4
84.08143	0.6
84.96028	0.9
85.02919	4.2
86.09712	22.8
87.04472	1.5
88.21110	0.3
91.05505	1.1
93.07076	0.6
95.04973	0.5
95.08626	1.0
97.02899	5.1
97.06507	0.4
98.97588	12.3
99.04479	0.5
101.07162	2.2
102.96880	0.4
103.05501	0.8
105.07041	1.3
107.04951	0.7
109.02869	0.7
109.06561	0.8
110.96928	0.4
110.97596	2.3
111.04449	0.6
112.99109	0.8
115.03934	1.5
115.05443	0.6
116.98634	4.5
117.07028	1.2
119.01918	0.6
119.04983	0.4
119.08621	0.6
121.06480	0.7
123.08057	0.5
124.99106	0.5
127.03931	1.1
128.06300	0.5
128.98608	2.4
129.07062	1.0
131.00188	0.6
131.04935	0.7
131.08604	0.8
132.10216	20.0
133.06502	1.3
134.08141	0.5
134.99669	1.2
135.04462	0.5
137.05998	1.1
141.13858	0.4
142.12285	0.8
143.00212	1.0
144.05719	0.8
145.01645	0.4
145.06473	1.0
145.10135	0.4
146.04111	0.7
146.99745	0.8
147.03276	0.7
147.04405	0.7
151.07608	0.8
152.98630	0.5
155.04677	8.2
155.07050	1.0
155.54819	0.6
158.99687	4.1
159.08087	0.5
159.11691	0.6
161.01222	0.6
161.04794	0.5
161.06027	0.6
164.05241	2.3
165.04346	0.9
166.55469	0.6
167.07030	1.8
169.08630	0.4
169.13387	1.8
170.99663	1.6
172.05228	0.4
172.09685	0.4
173.05997	0.8
174.06770	1.0
175.07626	0.5
176.03375	0.5
176.04861	0.5
177.00725	3.4
177.05539	0.7
177.09163	0.6
179.07018	0.5
183.04440	0.5
187.04286	0.4
187.07524	0.8
187.11363	0.5
187.14430	11.4
189.00706	0.9
189.04308	0.7
190.02701	0.6
190.98657	0.6
191.07233	0.5
197.08162	0.7
200.04770	0.7
200.55334	0.7
201.00958	0.5
201.05482	0.5
205.08563	0.7
208.99712	0.4
209.55869	0.5
212.06247	18.0
212.07799	0.8
212.56436	4.0
213.06575	0.4
215.07051	1.2
215.13870	5.0
217.10625	0.5
219.01735	2.8
221.06804	4.9
232.57582	1.4
233.06494	1.6
233.08510	2.6
233.15005	15.6
237.02814	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	233.1498
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
55.01870	0.4
55.05495	0.6
56.05023	1.4
56.31377	0.3
56.96569	4.4
57.03433	1.2
60.37917	0.2
61.02924	1.3
69.03438	1.9
69.07063	3.5
70.03795	0.3
70.06576	0.8
70.30002	1.1
70.98111	0.4
71.04996	0.3
72.08154	0.4
73.02911	1.2
74.06081	3.5
81.03421	0.6
84.04509	0.6
84.08133	1.1
84.96042	0.6
85.02908	3.3
86.09708	100.0
87.04465	0.5
95.47993	0.2
97.02887	2.6
98.97589	5.7
99.04465	0.5
100.99162	1.0
101.00883	2.2
102.05546	1.4
109.02895	0.6
110.97576	1.8
112.61899	0.3
112.99145	1.0
113.00872	0.3
113.03496	1.2
115.02429	1.0
116.98621	1.6
117.02145	0.3
119.01906	2.8
120.06591	5.4
121.01647	0.4
127.03970	0.8
128.98640	1.7
130.04987	1.3
131.00177	1.0
131.01918	0.9
132.10168	0.4
132.32489	0.3
132.98308	0.2
133.03494	2.9
134.99692	0.3
139.04243	0.9
140.04996	0.3
142.12378	0.2
143.00182	0.5
143.01892	1.5
144.98128	0.6
145.01770	0.3
145.03502	0.6
145.05014	0.5
146.99644	0.9
147.03026	0.3
147.05011	0.3
152.05063	0.8
155.01909	0.3
157.03487	1.2
158.99670	0.8
159.04968	0.3
161.01295	0.6
161.02977	2.0
162.99300	0.3
163.02730	0.5
165.00804	0.7
167.03423	1.3
171.05081	0.3
172.97675	0.4
173.01234	0.9
173.02985	1.6
174.04506	0.3
175.04440	0.7
176.03897	0.3
177.00771	0.6
177.04192	0.8
183.01581	0.4
185.02927	0.4
187.00516	0.4
187.02739	0.4
187.04471	0.4
187.14476	0.4
189.02356	0.3
190.98648	1.8
191.02289	0.9
191.04053	1.7
201.00706	0.3
201.05977	0.3
203.04034	0.5
205.10913	0.8
208.99731	1.1
212.04437	0.3
215.13907	3.0
219.01768	0.7
221.03230	0.5
221.05122	0.4
232.99652	0.3
233.05005	1.5
233.10489	0.9
233.14952	4.3
237.03030	0.3
239.04375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03936	2.6
54.81017	1.9
55.05500	8.9
56.96556	6.2
57.07054	2.5
59.05004	4.3
62.36573	2.0
64.15043	2.0
67.05495	13.9
69.07059	8.6
71.05006	2.7
71.58792	2.9
79.05503	10.5
81.07057	12.6
83.08612	4.2
91.05492	13.0
93.07050	14.1
95.04971	7.4
95.08614	21.0
97.06548	16.6
103.05469	4.2
105.07040	21.8
107.04964	4.4
107.08591	17.5
109.06525	7.3
109.10173	15.8
111.08134	2.0
117.07017	8.8
119.08588	32.3
121.06483	10.5
121.10154	8.7
121.99010	2.2
123.04472	3.5
125.05984	7.1
129.07016	3.7
131.08598	15.3
133.06578	5.1
133.10165	11.3
135.08072	10.9
135.11665	5.5
137.09589	10.2
139.07590	2.8
143.08569	5.0
145.06485	5.6
145.10115	18.4
147.08034	7.5
147.11691	6.2
149.09627	6.5
151.03267	7.4
151.07555	5.4
155.08536	2.6
158.10840	2.6
159.08047	5.7
159.11719	11.2
161.09596	6.8
163.07542	3.5
163.14777	2.5
171.11679	2.7
173.09607	8.6
173.13304	10.2
175.11189	5.7
175.14931	3.4
177.05486	8.7
177.09113	5.3
177.16260	2.3
178.06288	9.2
186.95274	5.1
187.07675	3.2
187.11089	3.6
187.14841	14.5
191.10657	8.9
191.14252	12.3
197.13249	3.5
201.09033	3.2
201.12738	8.1
203.10725	3.9
203.14336	8.6
205.08649	2.9
205.12349	3.3
205.15910	3.9
215.06914	2.9
215.10678	2.9
215.14310	13.5
215.17953	7.5
233.08142	13.0
233.11880	12.2
233.15367	100.0
233.18866	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	233.1538
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03931	2.7
55.01867	8.7
55.05507	8.1
56.96571	38.8
57.03448	2.2
57.07073	5.2
58.14902	1.7
65.03920	2.6
67.05507	29.4
69.03423	5.8
69.07072	17.0
69.39974	2.1
71.04990	9.5
71.56464	2.2
79.05505	22.1
81.03405	2.2
81.07060	29.5
83.04987	3.9
83.08613	3.4
85.02915	2.4
91.05495	24.7
93.07056	28.8
95.04980	100.0
95.08617	20.0
97.06528	16.0
98.97588	7.5
105.07043	25.2
107.04964	4.8
107.08607	24.2
109.06531	32.0
109.10172	25.3
111.04438	2.5
111.08097	7.9
112.99195	5.3
115.35635	2.1
116.98640	3.3
117.07044	12.0
119.04916	2.1
119.08597	31.4
121.06518	15.0
121.10162	24.4
122.07298	3.5
123.08097	10.1
123.11691	6.5
129.07014	5.3
130.07758	2.7
131.00218	14.2
131.04941	2.3
131.08568	22.5
133.06520	3.3
133.10138	17.8
134.10905	3.4
135.08073	6.6
135.11708	9.2
137.06068	2.6
137.09636	29.0
138.10385	3.9
138.50916	2.1
139.07558	2.0
139.50436	1.8
141.06880	2.3
142.06589	1.9
142.07677	2.0
143.08562	6.1
145.06479	3.9
145.10129	23.0
147.08032	4.0
147.11705	15.1
149.01253	23.4
149.05995	3.4
149.09630	9.8
149.13304	2.8
151.11183	7.8
155.99054	2.1
157.10098	6.8
158.07320	3.5
159.08083	8.7
159.11710	18.5
161.09575	2.6
161.13263	4.0
163.07625	5.1
163.11194	7.8
163.14754	2.2
167.02322	5.3
169.10205	3.1
171.11671	3.4
172.02834	3.6
173.09625	13.3
173.13228	15.0
175.08900	4.5
175.11218	7.7
177.09096	7.9
182.07747	4.6
183.10201	2.3
186.95407	2.3
187.02802	3.6
187.11218	9.8
187.14793	10.2
189.08240	2.2
191.08315	3.4
191.10608	2.3
191.14262	7.1
192.10875	4.1
197.09612	2.3
197.13252	3.4
199.06450	2.5
203.10141	4.7
205.15866	5.9
212.10687	11.4
212.60783	4.3
215.10883	9.8
215.14342	9.1
215.17967	8.1
217.07307	2.8
222.04532	2.5
229.07411	4.8
233.08084	8.6
233.11813	10.9
233.15373	78.2
233.18794	11.1
233.22646	2.2
243.08957	2.3
253.11079	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	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03929	2.7
55.05515	9.4
55.26791	1.9
56.96555	2.8
57.03428	3.5
57.07063	5.6
62.16319	1.7
65.24871	1.7
67.05180	2.8
67.05507	40.1
69.03416	2.5
69.07067	17.0
69.91053	5.1
69.91466	3.8
71.04985	3.6
72.33389	1.8
79.05494	18.8
81.07063	50.7
83.04953	1.8
83.08609	5.9
86.10265	1.6
91.05480	19.5
93.07049	38.3
95.04984	2.8
95.08611	74.0
96.95774	2.0
97.06526	3.5
97.10175	2.1
98.21400	2.5
105.07033	37.0
107.04922	1.8
107.08601	54.6
109.06557	2.6
109.09475	2.5
109.10174	44.7
111.08092	4.5
117.07017	13.7
119.06206	1.8
119.08586	58.4
121.06445	3.4
121.10154	36.4
123.08096	4.2
123.11698	14.3
125.09639	2.5
129.06985	3.0
130.07726	2.8
131.08580	29.4
133.10141	32.7
135.08080	3.4
135.11682	18.8
137.09644	2.7
139.11122	2.1
143.08662	3.2
144.09331	2.9
145.06537	1.7
145.10136	43.9
147.11710	16.2
148.05980	1.8
149.09546	2.5
149.13254	16.6
151.11009	2.4
157.10110	3.1
158.10857	2.8
159.08058	2.2
159.11697	56.8
161.13307	8.3
163.07555	4.5
163.11198	5.4
171.11702	2.3
173.13300	34.0
175.14783	11.8
177.05470	12.4
177.12717	4.8
177.16423	3.3
178.06227	11.3
185.13229	1.8
186.95248	3.1
187.11189	3.6
187.14806	12.3
189.16429	4.1
191.07016	4.6
191.14259	2.5
196.67186	2.0
203.17863	4.3
205.12233	3.5
205.19498	11.4
215.10852	3.1
215.14497	4.0
215.17960	92.8
218.02112	17.4
233.04489	16.5
233.08083	4.1
233.11670	14.2
233.15512	13.6
233.19006	100.0
233.22449	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	233.1902
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03938	2.2
55.01862	2.3
55.05509	8.7
56.96557	3.5
57.03431	2.0
65.03931	1.4
65.19344	0.9
67.05506	28.8
69.03419	1.8
69.07066	7.0
69.51491	6.0
71.04973	1.3
71.95236	0.9
72.42502	0.8
79.05499	32.6
81.07063	33.3
83.04959	2.0
83.08627	7.3
85.06550	2.7
91.05483	24.4
93.06473	1.8
93.07049	34.1
95.04970	3.6
95.08056	1.5
95.08613	23.0
97.06532	8.5
97.10152	2.0
99.08094	7.2
103.05473	1.2
105.07031	19.4
106.67076	1.0
107.04974	1.3
107.08598	25.3
109.06505	2.7
109.10169	9.7
111.08128	4.7
113.09661	1.6
117.07030	7.3
119.07776	1.5
119.08586	17.3
121.06494	5.2
121.10147	43.3
123.08070	3.3
123.11702	3.2
125.09636	1.8
129.07001	1.4
131.00195	1.6
131.08575	15.8
133.09117	1.2
133.10139	31.6
135.08075	2.4
135.11702	40.1
137.09608	6.6
143.08572	1.7
145.06512	1.6
145.10117	22.8
147.11703	13.1
149.01230	1.7
149.09579	1.5
149.13280	11.4
151.11192	4.8
157.10158	1.5
159.08070	1.4
159.11696	17.2
161.13248	3.6
163.07559	2.0
163.11150	1.4
171.11865	0.9
173.09633	3.6
173.13246	12.2
175.11188	1.0
175.14818	3.7
177.09129	1.9
187.11169	2.5
187.14822	9.5
189.16422	5.0
191.14342	1.3
197.09769	1.1
201.50513	1.0
215.10774	1.5
215.14551	1.9
215.17961	65.5
233.08102	1.3
233.11736	2.1
233.15605	9.0
233.19005	100.0
234.19208	1.0
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	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
56.72238	0.9
57.14296	0.9
79.05505	1.4
81.07068	2.0
89.31525	0.9
91.05495	1.4
93.07009	1.9
103.05491	2.4
105.07042	3.5
106.25666	1.1
107.08611	2.4
115.05465	19.6
117.07029	6.3
119.08610	2.5
121.10202	1.3
128.06212	2.3
129.07007	6.5
130.04245	1.5
131.04903	3.0
131.08565	1.7
132.05740	1.3
133.06474	2.3
133.10129	1.8
137.06004	4.1
143.04938	12.9
144.05722	6.4
145.06456	6.4
147.08098	2.5
155.06062	1.1
157.06500	10.2
160.05212	30.0
161.06010	3.2
161.09616	1.2
162.06834	1.1
172.05167	7.1
173.06018	6.0
174.06824	3.0
175.07559	100.0
176.87872	1.1
187.07570	54.6
188.08249	1.2
189.09111	5.9
190.06221	2.6
199.07495	1.7
203.07031	1.5
205.08647	4.5
217.08618	6.4
217.15855	2.2
235.07520	2.6
235.09688	6.5
235.16931	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	235.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05124	1.0
71.25364	1.6
79.05494	1.8
81.07066	1.3
91.05476	3.1
93.07040	2.4
95.08614	1.9
103.05453	2.2
105.07047	4.4
107.04990	1.6
107.08608	1.9
115.05456	17.0
117.07020	6.8
119.08606	1.8
121.10177	1.5
128.06242	3.0
129.06996	8.0
131.04932	2.4
131.08641	1.4
132.05670	1.5
133.06509	2.0
137.05992	4.2
143.04941	12.5
144.05757	5.0
145.06477	3.8
147.08029	1.6
156.05716	1.6
157.06516	7.1
159.08046	1.9
159.11713	1.0
160.05215	27.8
161.05968	4.5
161.09636	1.4
172.05191	9.4
173.05998	3.7
174.06766	2.8
175.07558	100.0
183.91800	0.9
185.06096	1.6
187.07555	61.2
189.09047	5.9
199.07599	1.0
203.06932	1.1
205.05290	1.0
205.08626	3.4
207.10130	1.1
217.08607	3.6
217.15887	2.0
235.07486	3.5
235.09729	5.7
235.16864	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	235.0965
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
52.09373	0.9
55.05510	2.4
62.30607	1.0
67.05486	1.8
69.07079	1.9
71.55958	1.3
79.05492	3.4
81.07045	4.1
81.07484	1.1
81.28706	1.1
83.04993	1.4
91.05446	2.6
93.07061	1.8
95.08617	2.1
97.06544	1.3
105.07020	4.6
107.04932	1.2
107.08616	2.2
109.06521	1.2
109.10162	3.9
115.05456	19.3
117.07038	5.4
119.08598	1.8
121.06523	2.3
121.10159	2.2
128.06235	2.2
129.07005	6.7
131.04955	1.9
131.08572	2.3
133.10130	11.2
135.08051	1.2
137.05980	3.2
137.09612	3.1
143.04935	18.1
144.05684	3.9
145.06508	1.2
145.10098	1.2
147.08049	1.1
151.03821	1.4
155.05991	1.3
157.06505	6.9
158.07278	1.2
159.11687	1.7
160.05212	31.5
161.05943	2.4
161.09615	1.7
172.05179	7.1
174.06796	3.2
175.07567	100.0
175.14874	1.2
176.07051	1.7
177.09061	1.3
179.10590	1.1
187.07558	39.7
189.09117	5.3
194.99840	1.1
204.06540	2.1
205.08615	1.7
207.08086	3.1
217.08580	5.6
220.08467	1.3
235.07726	7.8
235.09737	3.6
235.16896	9.0
235.20946	5.4
236.09192	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	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
55.05512	10.1
56.96558	3.7
57.07079	25.1
58.96127	3.5
67.05505	27.8
69.03423	2.6
69.07069	14.5
69.39304	12.2
69.39711	3.8
73.06573	1.5
79.05491	11.1
79.45924	1.8
81.07054	38.5
83.08614	7.0
83.86664	1.5
83.87174	1.4
84.41624	1.6
86.09742	1.8
86.88071	1.6
91.05498	6.8
93.07049	17.4
95.04981	3.5
95.08610	64.1
97.06525	5.3
97.10167	5.8
99.98740	3.6
105.07037	14.7
107.08603	26.3
109.10163	83.3
109.10926	4.0
111.08057	5.3
112.99136	19.8
119.08587	22.1
121.10150	28.7
123.04462	2.0
123.08058	2.6
123.11713	24.5
125.09628	7.1
128.78084	1.7
131.00177	28.4
133.10143	17.1
135.11702	12.6
139.11183	2.8
145.10193	2.2
147.11687	15.0
149.01253	12.0
149.13258	5.8
154.01756	3.5
159.11783	1.7
159.95940	2.0
161.13301	11.9
163.14809	3.4
165.12740	5.0
172.02852	3.4
173.13251	2.0
175.07587	2.7
175.14847	5.4
177.16382	8.8
179.10666	14.6
189.16399	11.8
191.17929	9.0
193.03851	3.7
202.13643	1.7
204.31883	1.9
206.85815	1.8
206.97755	1.7
217.08517	1.8
217.15929	4.9
217.19514	38.5
230.26509	1.9
235.04752	10.2
235.09618	3.0
235.13297	4.7
235.16948	62.7
235.20567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
55.05515	10.8
57.03444	8.6
57.07074	33.3
57.10458	6.7
57.76795	7.6
60.61396	6.6
67.05524	42.8
68.35156	6.6
69.07059	21.0
69.54279	7.8
71.57446	8.3
79.05488	13.9
81.07063	53.1
83.08602	10.9
83.99703	7.8
91.05497	17.8
93.07040	38.1
93.50267	7.4
95.04943	8.7
95.08617	81.6
97.10143	13.3
105.07069	38.6
107.08593	44.0
109.10168	98.9
114.40302	7.1
119.08572	44.5
121.10163	55.2
121.31430	7.5
123.11707	38.1
133.10132	37.2
135.11699	37.0
137.13228	7.9
139.11195	15.2
147.11702	45.4
149.13338	11.5
161.13278	29.1
163.14868	17.3
163.53511	7.2
175.14839	12.6
177.16373	23.8
179.10733	13.4
189.16248	8.1
191.17921	7.9
217.12433	9.7
217.19576	100.0
235.13200	11.7
235.16930	68.1
235.20573	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	235.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48660	7.2
55.05503	15.6
57.07076	37.5
67.05495	28.0
69.07057	23.0
70.80721	7.2
70.81053	16.0
71.05021	9.0
79.05486	13.2
81.07058	55.0
87.76036	7.6
91.05486	14.9
93.07037	27.0
95.04939	8.7
95.08043	8.6
95.08613	80.4
97.10174	10.0
105.07036	31.7
107.08599	33.3
109.06513	6.9
109.10162	75.7
111.08075	11.7
113.09665	7.0
119.08574	26.2
121.10143	46.0
123.04328	9.7
123.11678	24.5
133.10115	33.2
135.11696	19.5
136.88846	6.7
137.09570	8.8
137.13235	7.8
139.11165	8.4
147.10556	7.2
147.11684	36.3
161.05981	8.3
161.13246	25.0
163.14931	8.6
168.10609	8.7
175.14804	9.8
177.16415	19.0
179.10674	25.3
186.99228	6.9
189.16304	9.8
191.17909	9.6
193.41939	7.1
200.56242	8.1
217.19518	85.8
235.16953	100.0
235.20537	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2058
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
51.02385	0.9
53.03942	2.1
55.01875	1.8
55.05515	14.1
56.96553	1.7
57.03428	3.1
57.06831	1.0
57.07078	12.8
65.03944	1.8
66.48418	0.9
67.05508	67.0
67.96839	0.8
69.03444	0.9
69.07068	15.8
70.81877	2.2
71.05018	4.5
71.08626	3.3
73.29509	0.9
76.38719	0.9
79.05495	31.4
81.07063	85.2
83.04976	4.4
83.08631	11.4
84.77143	1.1
85.06544	7.8
85.10183	2.6
91.05483	26.3
93.07051	58.0
95.04949	3.2
95.08614	81.3
97.06529	7.7
97.10178	5.8
99.08089	6.9
105.07038	21.1
107.08607	25.6
109.06509	4.1
109.10162	32.5
111.08071	3.9
111.11729	1.9
113.09615	4.0
117.07039	1.7
119.08591	23.5
121.06521	3.0
121.10151	42.7
123.08093	5.2
123.11719	15.2
125.09629	2.8
131.08580	2.6
133.09117	1.3
133.10135	29.4
135.11702	32.8
137.09650	5.8
137.13258	11.7
139.11169	3.0
145.10078	1.6
147.08115	0.9
147.11691	21.7
149.13287	10.7
151.11168	3.0
151.14807	6.0
153.12727	2.0
157.10149	1.3
159.11723	1.7
161.09578	1.2
161.13283	16.6
163.14760	5.4
165.12802	1.3
167.14470	1.1
171.03394	1.0
171.11664	1.0
172.43607	1.0
175.11169	2.1
175.14859	8.1
177.16399	3.5
179.10677	2.6
179.14337	1.2
189.04410	1.8
189.12698	1.1
189.16328	5.1
191.17946	7.5
217.16074	1.9
217.19527	63.8
235.13223	2.6
235.17105	15.0
235.20576	100.0
236.09196	2.9
257.55060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2058
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03942	2.3
55.05519	11.2
55.17619	1.8
55.44343	1.6
57.07071	11.4
58.96128	2.1
67.05506	23.1
69.07076	14.9
69.29160	5.6
69.29584	10.1
71.05003	25.4
74.71250	1.8
75.74193	1.7
79.05504	10.0
81.07063	42.2
83.08603	4.6
91.05485	9.3
93.07053	37.7
95.04973	3.1
95.08612	100.0
97.06516	3.1
97.10160	3.1
97.19779	1.6
99.08097	3.6
99.98755	2.9
105.07031	18.3
107.08600	54.8
109.06503	3.3
109.10159	41.7
111.08060	2.2
112.99147	3.7
119.08588	29.5
121.06502	8.2
121.09315	3.0
121.10150	38.5
123.08051	1.7
123.11715	9.1
125.09618	2.0
125.13216	1.7
127.11194	19.5
131.08536	2.6
133.10149	46.0
135.11667	5.7
137.09636	1.9
137.13261	12.0
145.10104	3.6
147.11679	21.7
149.13266	83.5
161.09555	2.4
161.13260	15.6
163.14807	7.5
165.12605	1.9
175.14821	7.5
177.16382	2.5
179.10674	5.0
186.11496	1.8
189.16376	2.3
191.14304	2.3
191.17940	2.2
217.19518	29.3
235.16946	22.3
235.20554	47.3
236.09338	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	236.0914
Annotation	Cherianoine
Peak:m/z	Relative Intensity
53.03940	0.1
54.50233	0.1
55.01878	0.3
57.07074	0.1
65.03949	0.2
67.05511	0.1
69.63325	0.2
69.63753	0.2
72.08116	0.1
73.02921	0.3
77.03928	0.1
79.05493	0.2
80.05029	0.2
81.07043	0.1
91.05485	0.4
92.04997	0.5
93.07027	0.1
94.06530	0.1
95.04944	0.2
96.04486	0.1
98.21499	0.1
103.05466	0.1
104.04989	1.4
105.04510	0.1
105.05761	0.5
105.07021	0.1
106.06568	0.2
107.08553	0.1
108.04482	0.2
110.06027	0.5
117.05830	0.1
118.06551	0.3
119.07309	0.1
120.08117	1.3
121.06566	0.1
122.05146	0.1
122.06032	2.6
128.02281	0.1
130.06519	0.2
131.07297	0.3
132.04449	1.3
132.08084	0.2
134.06038	1.1
137.02841	0.1
137.04707	0.1
146.09589	0.1
148.07573	0.1
150.05519	0.2
155.98369	0.1
158.06004	0.2
163.06299	0.3
164.07069	54.7
165.07457	0.3
176.07028	0.2
177.07899	0.3
190.08641	1.4
191.09380	1.0
234.90417	0.1
236.09175	100.0
237.09508	0.8
258.76489	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.092
Annotation	Cherianoine
Peak:m/z	Relative Intensity
53.09891	0.4
53.50786	0.4
56.96569	1.0
59.41438	0.5
62.38350	0.5
69.56870	3.3
71.20395	0.4
73.77979	0.4
79.05500	2.0
81.07072	0.7
90.95236	0.5
91.05489	3.7
94.70889	0.5
98.97588	1.8
103.05499	0.9
105.07050	2.2
106.06576	2.1
110.97592	0.6
115.05481	1.2
116.98667	0.5
117.05769	13.6
119.04890	0.7
121.06497	0.7
130.06540	5.1
131.07315	4.1
132.08104	26.5
134.06009	3.9
147.04408	3.1
148.07596	0.7
150.09154	1.0
158.06032	12.9
158.99649	0.8
160.07596	38.8
176.07082	11.8
186.05524	5.0
190.08652	19.4
192.10216	100.0
193.10541	0.9
204.06546	5.8
215.07454	0.6
218.08138	12.9
236.09198	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
53.45161	0.6
55.05513	0.7
55.48213	0.6
56.96560	0.9
57.03444	8.2
63.94917	0.6
67.05508	1.4
69.03401	0.7
69.07084	0.6
70.81210	1.7
71.04998	1.0
75.04491	2.1
77.03930	0.7
79.05495	1.1
81.07053	2.2
83.04993	0.7
83.08629	0.7
85.06535	0.9
91.05477	2.3
93.07053	1.9
94.29591	0.5
95.04950	0.9
95.08646	1.5
97.02902	0.7
97.10164	0.7
98.20724	0.5
98.97597	1.9
102.04678	3.1
103.05470	26.4
105.07042	9.7
107.08587	2.2
109.06532	0.5
109.10182	0.9
112.91093	0.6
115.05444	1.7
117.06999	1.0
119.08614	1.8
121.10155	2.7
128.06216	0.8
129.06992	0.9
130.04153	14.3
131.04935	80.3
133.06502	6.7
133.10152	1.3
135.08086	0.8
135.11662	1.2
137.05931	1.1
141.06943	0.8
143.06073	0.7
145.06467	1.4
145.10139	1.6
147.04442	3.2
148.05197	100.0
149.05905	0.7
151.11182	1.7
157.06470	0.7
159.04446	0.9
159.08022	0.9
159.11736	0.8
159.28754	0.7
160.05200	1.5
161.06001	17.4
161.09644	0.8
162.06770	9.1
163.07549	63.3
173.09612	1.2
175.07545	2.4
177.05479	1.0
177.09203	0.7
177.12883	1.1
181.08615	0.6
191.10677	0.7
201.09137	1.2
201.16405	1.0
204.07889	1.7
205.08514	0.7
219.10188	2.8
219.17381	1.5
235.99428	0.6
237.07422	0.9
237.11076	3.6
237.14890	1.9
237.18562	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
56.96560	1.2
57.03441	9.1
57.07052	0.9
63.47081	0.5
67.05501	1.4
69.03434	0.9
69.07095	1.1
69.66876	1.8
69.67295	2.0
71.04987	0.9
75.04475	2.0
77.03918	0.9
77.29277	0.6
79.05506	1.4
81.07055	2.2
83.04974	1.9
91.05502	3.8
93.07060	2.5
95.04967	1.2
95.08620	1.7
97.06546	1.1
98.97604	1.6
102.04701	4.0
103.05474	29.6
105.07050	8.5
107.05002	0.8
107.08603	2.2
109.06529	0.9
109.10167	1.5
113.59562	0.6
115.05466	2.3
118.04147	0.7
119.04927	1.1
119.08627	1.4
121.03906	0.6
121.06528	1.2
121.10139	2.1
125.09629	1.1
128.06201	0.6
129.07018	1.5
130.04172	13.7
131.04939	80.2
133.06493	7.0
133.10132	1.5
135.11713	1.4
137.05991	1.6
139.04999	0.7
143.06049	0.9
145.06502	1.4
145.10127	1.5
147.04454	2.9
148.05203	100.0
151.11186	2.6
157.06500	1.5
158.07268	0.9
159.08000	0.8
159.11673	0.9
160.05228	1.8
161.06000	17.6
161.13304	1.1
162.06778	10.1
163.07552	66.7
165.05664	0.7
173.09645	1.0
175.07510	1.6
177.05539	0.8
177.12720	1.1
189.09099	0.7
189.12787	1.4
198.88344	0.7
201.09132	1.4
201.16370	1.3
204.07864	1.3
219.10118	2.6
219.13715	0.7
219.17395	2.3
237.05544	0.6
237.07486	1.1
237.11000	3.2
237.14754	1.2
237.18503	2.8
237.22289	1.0
249.03073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03967	0.5
55.01888	1.3
55.05513	2.3
57.06847	0.3
57.07092	1.5
67.05511	2.5
69.03417	0.4
69.07077	2.9
70.15882	0.9
70.16280	1.0
71.05008	0.8
71.08649	0.9
76.68281	0.3
79.05500	3.5
81.07070	3.6
83.04979	0.6
83.08655	0.6
85.06550	0.8
89.89227	0.3
91.05487	4.4
92.06274	0.8
93.07047	5.9
93.07615	0.3
95.04999	1.3
95.08604	3.4
97.02939	0.5
97.06543	0.9
99.00828	1.8
99.08092	0.9
105.07024	2.8
106.07823	0.7
107.05000	1.0
107.08610	6.9
109.06516	2.6
109.10157	3.7
111.08098	0.6
115.05475	0.4
117.07031	1.2
119.04970	0.4
119.08614	2.5
121.06499	5.2
121.10134	2.0
121.96925	0.3
123.04462	1.4
123.08079	1.0
123.11663	0.5
125.06036	0.6
129.07004	0.8
131.08592	2.7
133.06496	2.7
133.10156	1.3
134.07278	4.9
135.08058	10.6
135.11664	1.9
137.05981	0.7
137.09599	0.5
145.06505	0.9
145.10120	2.7
147.08041	1.9
147.11696	0.5
149.05986	1.9
149.09633	1.1
149.13275	1.0
151.07605	0.7
151.11150	0.5
159.08041	0.7
159.11674	1.8
161.13318	0.8
162.06784	7.2
163.07573	2.6
163.11180	0.8
163.14813	0.8
164.08334	0.6
173.13271	1.3
175.14801	0.5
177.05530	0.5
177.09091	0.6
177.12787	1.5
181.08609	1.1
181.20462	0.3
185.59625	0.3
191.14319	5.9
191.17937	0.5
195.13866	1.2
201.12755	0.9
201.16437	0.6
209.15410	0.4
216.13292	0.5
219.13814	100.0
220.14122	0.7
230.47380	0.4
233.19354	0.4
237.14854	36.6
237.18642	1.4
237.22028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1487
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03951	1.3
55.01878	6.0
55.05518	6.9
56.96548	2.0
57.03431	1.5
57.07069	1.4
65.03947	1.1
67.05511	12.7
69.03442	2.2
69.07072	25.0
69.79791	1.9
69.80199	4.7
71.04996	4.6
77.00929	2.5
77.03916	1.2
78.95037	1.0
79.05499	19.2
81.03438	2.0
81.07066	17.7
83.05000	4.8
83.08622	2.7
85.06542	1.9
91.05479	16.3
93.07051	29.4
95.04973	6.5
95.08613	14.0
97.06539	4.7
99.08104	1.2
103.05470	1.7
105.07036	17.8
107.04959	6.8
107.08602	22.2
107.09300	1.7
109.06536	10.4
109.10179	5.4
111.08102	3.4
113.06049	1.5
117.07027	18.4
119.08588	12.4
121.06521	22.6
121.07372	1.4
121.10155	7.4
123.08058	10.3
123.11733	2.4
125.06094	0.9
125.09682	1.5
129.07031	2.0
131.08580	16.8
133.06529	4.3
133.10156	8.4
135.08067	27.6
135.11714	5.3
137.06036	1.1
137.09644	3.0
139.07542	1.8
141.07007	1.2
142.07813	1.7
145.02870	1.0
145.06529	6.6
145.10143	8.2
147.08060	2.5
147.11729	2.1
149.02365	1.1
149.05989	1.7
149.09625	8.6
149.13254	6.4
151.07556	17.4
151.11156	1.3
153.09166	1.1
155.08617	3.7
157.10138	7.5
159.08087	4.5
159.11702	20.3
161.09668	3.9
161.13310	1.8
163.07541	18.3
163.11212	3.1
165.09125	1.7
168.09317	1.0
169.08667	4.6
173.13268	11.4
175.11252	2.3
177.05531	1.8
177.09196	6.6
177.12740	10.4
179.10721	3.5
181.08598	22.3
183.11710	11.1
189.44206	1.2
191.10832	1.4
191.14320	9.4
195.03076	0.9
195.10248	5.1
195.11754	1.2
195.13762	1.1
201.12762	16.4
201.16452	3.4
209.15430	2.2
219.13837	30.4
219.17488	3.8
231.80106	0.9
237.05624	1.7
237.07658	2.1
237.14928	100.0
237.18681	3.5
237.22195	2.5
243.14542	2.3
255.14442	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	237.1849
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03946	3.2
54.45331	1.4
55.05513	55.1
57.07069	2.6
59.04987	2.4
67.05510	10.7
69.03414	4.8
69.07084	9.3
69.67628	8.1
70.71858	1.4
71.04997	35.1
73.06542	3.7
74.06565	1.3
74.48363	1.4
79.05486	8.3
81.07060	36.6
83.04984	72.1
83.08593	4.6
85.06560	2.6
87.08118	1.5
91.05469	13.2
93.07046	30.0
95.04962	10.0
95.08612	19.7
97.06534	10.0
97.10176	1.9
98.97594	1.7
99.08068	4.0
105.03385	1.7
105.06383	2.8
105.07034	30.9
107.08595	26.0
109.02879	1.5
109.06493	6.7
109.10170	25.7
111.08083	10.7
117.07024	4.1
119.08586	11.9
121.09313	3.0
121.10148	44.1
123.08047	3.9
123.11704	17.6
125.09623	3.6
127.11182	8.8
131.05003	1.7
131.08560	11.8
133.10132	100.0
135.07986	2.4
135.11707	19.3
137.09634	2.8
137.13300	3.0
139.11182	24.9
145.10127	16.9
147.11696	15.7
149.09630	3.4
149.13268	15.2
151.11189	36.5
153.12749	18.0
159.11700	24.4
161.13284	5.4
163.11220	5.9
167.14368	2.4
174.06686	1.9
175.14894	1.9
177.12766	4.5
177.16423	2.9
181.12155	2.3
189.09137	3.2
191.07101	1.8
191.17935	3.2
201.16396	20.1
219.10118	3.7
219.17442	27.1
237.07378	2.4
237.18498	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.05513	17.4
57.03425	4.0
57.07067	5.8
59.05003	5.5
67.05500	15.4
69.03436	22.5
69.07072	16.6
69.49671	19.1
71.04996	49.9
79.05502	22.0
81.07057	100.0
83.04976	11.0
83.08610	8.7
85.06529	4.8
91.05468	16.6
93.07040	37.6
95.04991	17.8
95.05525	3.9
95.08608	28.7
97.06522	10.5
99.08100	23.7
103.05495	2.6
105.06408	2.9
105.07037	44.0
107.08588	43.2
109.06514	26.5
109.09460	3.6
109.10152	40.5
111.08060	7.8
115.05402	4.3
117.07013	7.1
119.08583	26.1
121.10154	30.3
123.08077	5.9
123.11710	19.6
125.09637	13.0
127.07548	14.0
127.10288	4.0
127.11203	58.1
131.04866	4.0
131.08568	13.2
133.10138	86.5
135.08035	3.3
135.11690	11.5
137.09586	4.5
139.11165	11.6
143.10666	12.5
145.10106	26.9
147.11714	13.3
149.02357	5.2
149.13252	9.8
151.09959	5.0
151.11182	91.7
153.12720	3.2
155.10669	20.9
159.11728	22.5
161.13248	10.5
163.11282	4.2
163.14803	3.5
165.12685	3.0
169.12234	5.1
173.13254	5.3
175.14743	4.5
177.07986	3.2
177.12712	5.4
177.16287	2.7
187.07535	4.9
189.09100	2.9
189.16379	4.9
191.17859	6.1
194.07285	6.1
201.16394	23.5
219.10172	8.1
219.17441	30.0
237.09148	10.7
237.16040	5.2
237.18498	47.7
238.06949	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03936	3.2
55.05524	12.4
56.96536	1.9
57.03442	2.3
57.07095	2.4
59.05000	7.1
59.45568	1.7
63.68480	2.1
65.03943	2.1
67.05507	16.5
69.03417	8.4
69.07076	15.6
69.83909	11.0
71.04658	2.7
71.05001	37.3
73.06556	2.8
75.04475	4.2
79.05487	18.7
81.07064	100.0
83.04980	4.5
83.08601	2.1
85.06535	5.3
89.06024	7.4
91.05482	14.3
93.07043	36.6
95.04963	5.8
95.08607	23.8
97.06521	8.6
97.10193	4.9
98.20826	3.4
98.57475	2.1
99.07492	2.7
99.08105	40.1
101.06990	1.9
105.06394	2.6
105.07040	29.4
107.08613	27.3
109.06513	10.1
109.09476	2.8
109.10171	36.3
109.93680	1.9
111.08082	5.7
117.07016	2.6
119.08591	20.1
120.11830	1.9
120.97822	1.9
121.06456	2.3
121.10146	16.1
123.08035	4.7
123.11721	12.7
125.09608	9.6
127.07577	15.5
127.11216	22.6
131.08575	8.7
133.10133	41.1
135.08044	3.2
135.11687	12.6
137.09544	3.5
139.11147	5.2
143.10703	5.5
145.02853	2.9
145.10132	18.2
147.11703	20.9
149.09697	2.6
149.13263	20.6
151.11191	34.6
155.10655	5.8
159.11697	14.5
161.13268	10.5
163.03868	2.0
163.11220	4.1
163.14719	2.3
165.12767	4.5
169.12260	3.2
173.13226	3.4
175.14836	4.3
177.05496	6.0
177.16411	2.2
181.06534	2.3
187.32956	2.0
191.17888	5.2
195.06544	15.0
201.16434	14.6
219.17471	37.0
237.09163	6.6
237.14902	3.0
237.18536	27.1
237.22104	2.2
250.94701	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03947	2.6
55.01867	3.4
55.05518	9.3
55.64215	1.4
57.03440	2.3
57.07074	5.6
59.05001	6.9
62.62870	1.7
67.05511	17.5
69.03434	11.4
69.07069	11.0
71.05003	24.3
71.59419	3.1
73.56451	1.6
79.05499	23.0
81.07063	100.0
83.04983	4.5
83.08614	5.0
85.06548	4.4
91.05515	10.1
93.07052	23.8
95.04991	6.1
95.08603	16.2
97.06543	6.3
97.10175	5.3
99.08105	42.0
103.05489	3.2
105.04504	1.8
105.07042	30.1
107.08602	25.5
109.06522	15.2
109.10166	29.7
111.08089	3.7
115.05434	1.7
117.07030	3.9
119.08588	14.3
121.06487	1.6
121.10144	17.6
123.08114	5.5
123.11702	7.8
125.09618	9.0
127.07568	21.1
127.11189	21.7
131.04926	2.9
131.08571	6.6
133.06555	1.7
133.10146	36.8
135.08011	2.3
135.11697	12.3
137.06015	2.9
137.09647	2.5
139.11203	6.1
139.98566	1.7
143.10669	7.4
145.10133	15.9
147.11676	11.4
149.09618	2.4
149.13252	11.4
151.11191	38.3
155.10684	9.7
159.11746	8.8
161.05984	2.4
161.13277	9.7
163.11229	4.0
165.12726	2.5
169.12218	3.0
173.13356	3.7
175.14844	2.6
177.05501	3.3
177.12700	2.3
177.16367	2.6
191.06966	2.9
191.17990	2.1
201.16422	9.7
219.13895	2.1
219.17462	19.8
237.05489	2.6
237.07356	2.0
237.09299	2.6
237.14909	2.4
237.18504	18.7
237.21957	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	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.82233	1.5
53.03933	1.9
55.01864	4.3
55.05513	9.3
57.07074	3.0
59.04991	6.7
67.05507	16.7
69.03433	13.5
69.07075	9.9
69.54263	7.4
71.04996	29.6
71.95410	1.7
79.05500	23.4
81.07060	100.0
82.07352	1.4
83.04998	3.0
83.08627	3.9
85.06548	5.6
87.63646	1.3
91.05494	9.8
93.07040	18.7
95.04970	5.6
95.08624	13.7
97.06535	8.4
97.10184	4.5
99.08099	55.7
99.08754	3.0
105.07033	26.7
107.08587	22.9
109.06533	14.9
109.10165	28.0
111.08075	2.2
117.07072	2.8
119.08589	12.8
121.06519	1.4
121.10136	17.7
123.08085	3.3
123.11732	9.3
125.09614	7.2
127.07563	27.6
127.11204	29.4
129.13977	1.8
131.08531	4.9
133.10135	43.8
135.11678	9.0
139.11191	5.6
140.93065	1.4
143.10674	5.6
145.10158	14.3
147.11703	10.3
149.13277	6.5
151.11197	44.9
155.10664	9.9
155.83292	1.7
159.11758	8.3
161.13217	7.6
163.11151	1.8
165.12787	5.1
169.12233	3.7
170.27080	1.6
173.13365	2.1
175.14888	1.7
177.05376	1.7
191.17889	1.4
196.81247	1.4
201.16394	8.3
219.17459	14.1
237.14876	2.0
237.18509	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.05430	1.8
55.01886	2.6
55.05517	18.7
57.03419	3.6
57.07059	5.2
57.15174	2.5
59.05006	11.5
62.45729	2.2
65.03949	2.2
67.05507	23.1
69.03443	10.2
69.07078	22.0
71.05000	32.6
71.58480	2.2
79.05501	23.6
81.07062	100.0
83.04990	12.1
83.08611	7.0
85.06568	11.8
87.04437	2.2
91.05486	16.9
93.07053	50.0
95.04983	8.1
95.08617	35.0
97.02887	2.2
97.06520	12.5
97.10168	6.0
98.97585	2.3
99.08099	19.9
103.05491	3.5
105.07041	43.1
107.08604	50.3
109.06509	13.0
109.10163	40.4
111.08099	6.3
111.11722	4.9
115.05482	2.4
115.07586	2.2
117.07007	5.6
117.10190	2.0
119.08588	26.4
121.06537	4.3
121.10148	34.0
123.08071	8.2
123.11699	13.7
125.09628	19.1
127.07591	11.7
127.11213	25.3
129.06995	3.9
131.04965	4.0
131.08575	11.1
133.10149	37.0
133.47144	2.4
135.08032	3.3
135.11693	35.1
137.06036	3.5
137.09680	4.9
139.11157	3.7
141.06999	3.4
143.10692	23.8
145.10135	38.7
147.11687	19.7
149.09683	2.6
149.13254	25.6
151.11176	30.2
155.10670	4.1
157.06464	2.8
159.11714	19.8
161.13292	20.1
163.11221	4.5
173.13277	6.5
174.06805	4.5
175.14828	6.0
177.05531	3.8
177.12737	4.0
177.16357	4.5
179.14316	8.8
181.12376	2.8
187.03918	2.2
191.17966	7.6
194.07285	2.5
195.06662	2.7
201.16408	25.7
219.06566	4.5
219.10175	11.1
219.13824	4.7
219.17456	48.8
219.46997	2.4
237.05598	3.9
237.07283	2.5
237.09201	5.0
237.11154	4.1
237.14822	4.3
237.18523	60.4
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	Sirenin
Peak:m/z	Relative Intensity
53.03941	3.3
55.05513	11.8
56.96561	6.5
57.03452	3.8
57.07069	4.5
59.04995	7.9
67.05512	21.0
69.03442	9.1
69.07076	12.3
71.04996	28.9
71.57029	2.0
71.57385	2.5
72.08144	1.8
79.05495	20.7
81.07063	100.0
83.04973	5.7
83.08611	5.2
85.06555	9.9
87.04451	2.5
91.05482	16.5
93.06468	3.8
93.07051	77.0
95.04984	9.5
95.08618	34.0
97.02890	2.7
97.06538	7.0
97.10183	4.9
98.97593	21.1
99.08100	24.0
102.96843	3.2
103.05437	3.3
105.07047	30.7
107.08596	34.7
109.06536	9.2
109.10170	25.0
111.04407	2.1
111.08127	4.1
113.06033	2.5
113.09687	3.5
114.10297	4.6
115.07545	2.6
116.98599	6.2
117.06989	4.5
119.08572	19.9
121.06507	16.1
121.10143	21.8
123.04448	2.1
123.08065	5.9
123.11729	30.1
125.09640	6.4
127.07577	14.9
127.11179	16.0
129.07050	2.3
130.06512	2.1
131.08551	10.3
133.10133	46.7
135.08070	5.1
135.11725	16.3
137.09586	2.6
139.11229	3.6
143.10675	6.4
145.10126	13.7
147.04330	2.4
147.11684	12.5
149.09630	3.6
149.13254	5.6
151.11197	40.6
154.03882	12.7
155.10666	6.9
158.99683	8.7
159.11678	16.2
161.13318	4.8
163.04390	2.4
163.11192	2.6
164.07077	5.0
165.05499	1.8
165.12743	2.0
169.12154	2.7
172.69861	1.9
173.13287	5.2
175.14803	2.3
177.00720	4.3
177.05498	2.5
177.12820	3.9
179.14238	2.1
185.59341	1.9
191.14276	2.3
191.17924	1.8
201.16417	14.6
216.08322	4.0
219.09787	7.2
219.13837	3.5
219.17441	32.2
237.11075	5.0
237.14949	4.1
237.18497	29.2
237.22188	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03935	2.7
55.01876	5.0
55.05513	12.8
56.34945	2.0
56.96572	4.2
57.03437	5.6
57.07074	4.1
59.05002	4.3
67.05510	19.0
68.90746	2.2
69.03430	14.0
69.07073	13.2
71.04996	31.1
71.16799	5.0
79.05496	23.1
81.07066	100.0
83.04983	6.0
83.08627	2.4
85.06534	5.3
91.05492	12.1
93.07042	26.1
95.04979	7.7
95.08615	20.5
97.06535	7.0
97.10185	4.0
98.97590	27.0
99.08105	41.0
100.74184	2.2
105.07037	25.3
107.08604	28.6
109.06514	14.3
109.10156	31.0
111.08109	2.1
116.98639	6.3
117.07030	2.5
119.01844	2.2
119.08595	10.1
121.06532	10.2
121.10145	16.2
123.08080	6.1
123.11707	10.1
125.09639	8.1
127.07581	18.8
127.11209	24.8
127.86677	2.3
128.02286	4.9
131.08574	7.7
133.10138	48.4
133.11089	3.9
135.08081	3.0
135.11691	10.1
137.09644	2.5
139.11200	4.2
143.10672	7.9
145.10133	12.1
147.11723	9.5
149.13249	8.3
151.11185	41.6
155.10680	8.5
158.99699	11.8
159.11690	10.5
161.13313	10.1
163.11099	2.3
164.07097	11.1
165.12732	4.2
169.12215	3.3
173.13210	2.5
174.03676	2.5
175.14749	2.0
177.00742	6.4
177.10219	8.8
177.12701	4.5
191.17986	3.8
194.07011	7.0
195.13666	2.0
201.16438	9.2
203.07484	2.6
216.08401	14.6
216.58545	7.1
219.09720	3.8
219.13826	4.0
219.17491	13.1
237.09396	3.9
237.12471	5.0
237.14771	4.5
237.18553	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	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.56963	1.1
53.03946	3.0
55.01881	3.1
55.05517	9.4
56.96556	1.6
57.03423	1.8
57.07079	2.0
59.04990	5.7
65.03923	1.9
67.05509	16.1
69.03436	14.1
69.07075	10.4
71.05001	24.4
71.52216	1.8
73.06577	1.3
79.05494	20.7
81.07062	100.0
83.04971	3.5
83.08623	4.9
85.02952	1.5
85.06541	5.2
91.05495	10.4
93.07048	21.1
95.04983	5.9
95.08608	15.6
97.06543	8.6
97.10166	4.8
98.97596	7.7
99.08099	47.4
103.05458	1.4
105.07037	22.1
107.08602	25.5
109.06533	12.9
109.10168	27.8
111.08081	2.3
113.09640	1.6
116.98628	1.3
117.07039	2.8
119.08616	8.7
121.06514	7.2
121.10149	13.6
123.08054	4.7
123.11723	9.9
125.09622	9.3
127.07563	27.2
127.11203	22.6
131.08559	4.3
133.10136	42.3
135.11671	8.6
136.08821	1.4
137.09569	1.6
139.11189	5.5
139.32217	1.3
143.10651	6.8
145.10112	13.9
147.11684	10.1
149.13284	8.2
151.11191	39.0
154.03920	1.3
155.10654	10.9
158.99713	1.4
159.11684	6.4
161.13264	6.0
163.11243	2.6
164.05875	2.6
164.07094	16.9
165.05492	1.5
165.12746	3.8
169.12271	4.5
173.06516	2.4
173.13242	1.9
177.12773	1.7
177.16400	2.1
191.17844	2.3
194.07007	5.7
201.16373	8.7
203.07568	1.6
219.17415	15.3
225.08075	2.1
237.11304	1.9
237.18484	14.0
243.08949	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	(E,E)-10-hydroxy-2,6,10-trimethyl-2,6,11-Dodecatrienal
Peak:m/z	Relative Intensity
53.03952	4.1
55.01880	2.4
55.05516	9.7
57.03435	3.7
57.07070	3.8
59.05003	4.7
67.05515	15.3
68.83972	1.8
69.03435	13.0
69.07063	7.8
71.04998	25.6
71.24166	1.7
71.55817	2.5
79.05505	22.7
81.07067	100.0
83.04994	3.5
83.08618	5.0
85.06557	4.8
86.77168	1.6
91.05463	9.6
93.07059	21.8
95.04967	9.0
95.08618	14.9
97.06553	6.9
97.10173	3.5
98.97579	7.1
99.08105	44.0
105.07045	23.9
107.08603	18.5
109.06541	10.8
109.10169	24.2
109.10903	2.8
109.76549	1.7
111.08062	3.3
112.11282	1.8
116.98598	2.1
119.08599	12.9
121.06541	8.3
121.10149	14.3
123.08089	4.9
123.11736	10.2
125.09647	9.0
127.07568	22.7
127.11217	21.2
131.08546	5.8
133.09132	2.3
133.10141	43.1
135.08102	2.3
135.11714	8.2
139.11176	2.4
143.10664	5.2
145.10129	13.9
147.11691	9.6
149.13284	10.2
151.11208	39.5
155.10661	8.9
158.99689	2.7
159.11703	5.7
161.13289	8.8
163.11232	2.9
164.07097	5.2
169.12247	5.4
173.13286	2.7
191.18036	2.5
194.07024	2.9
201.16380	6.5
203.07520	3.4
204.53661	1.7
205.06944	2.2
217.48241	2.1
219.17458	13.9
226.07285	1.9
237.14850	2.3
237.18550	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.79195	2.2
53.03936	4.5
53.77011	2.3
55.01861	3.8
55.05510	12.3
56.96562	2.4
57.07051	2.9
59.05006	4.9
67.05508	19.6
69.03413	9.1
69.07052	9.6
70.59538	8.3
70.59901	2.7
71.04994	22.3
79.05513	22.7
81.07065	97.1
83.08614	4.0
84.91900	2.8
85.06542	3.9
91.05473	9.1
93.07043	42.3
95.04939	7.7
95.08606	16.9
97.06538	7.9
97.10185	3.1
97.63521	2.5
98.46371	2.6
98.97562	4.3
99.08089	33.8
105.07037	25.5
107.08611	25.8
109.06544	13.4
109.10171	22.8
109.31619	2.4
111.08099	4.9
115.07561	3.7
116.98668	3.0
117.07084	3.1
119.08580	12.4
121.06496	9.8
121.10155	16.9
123.08034	2.9
123.11681	15.2
125.09635	7.7
127.07552	19.8
127.11189	18.8
129.06984	4.3
131.08553	8.0
133.10147	39.9
135.11682	9.4
139.11235	3.8
143.10690	5.4
145.10139	12.7
147.11659	11.8
149.09531	2.9
149.13277	9.9
151.11208	39.3
155.10699	4.6
159.11708	8.9
161.13257	10.8
164.07077	100.0
169.12199	3.7
173.13312	3.3
174.06743	4.8
175.14786	2.8
177.12790	3.4
177.16367	3.0
189.09087	7.8
194.07103	3.5
196.09769	2.6
201.16354	3.8
219.10202	15.2
219.13976	3.3
219.17447	22.2
237.07440	4.7
237.14752	4.2
237.18481	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03938	4.1
55.05515	24.9
56.96559	8.0
57.03434	5.6
57.07077	4.6
59.05003	6.0
67.05499	27.3
69.03424	13.9
69.07055	22.1
69.68400	2.7
71.05000	39.2
71.59206	5.1
79.05489	27.2
81.07058	100.0
83.04980	10.6
83.08631	7.0
85.02905	4.2
85.06557	11.1
91.05473	25.0
93.07050	67.7
95.04965	12.9
95.08613	33.8
97.06539	12.0
97.10209	3.2
98.97593	35.0
99.08085	23.8
105.07036	49.5
107.08590	50.7
109.06541	17.2
109.10158	36.0
111.08081	6.6
113.06006	4.1
113.09634	3.0
116.43869	2.9
116.98641	5.5
117.07021	6.9
119.08588	28.3
121.06531	4.0
121.10147	30.3
123.08111	6.4
123.11716	21.2
123.12453	3.0
125.09645	13.2
127.07545	10.6
127.11235	23.5
128.06209	2.9
129.07014	4.2
131.04968	6.0
131.08583	18.0
133.10138	83.6
135.08093	5.5
135.11705	21.5
137.09645	6.7
139.11195	7.9
141.07002	3.2
143.10718	8.0
145.10153	36.0
147.04440	3.6
147.11687	16.9
149.09584	5.0
149.13266	13.6
151.07576	4.1
151.11179	53.7
153.12758	6.8
154.03864	7.3
155.10718	5.8
157.06479	4.3
158.99693	12.9
159.08058	5.0
159.11699	23.9
161.09602	3.3
161.13286	14.7
163.11168	7.3
173.13272	6.1
174.06789	7.7
175.14902	4.8
177.00725	8.4
177.05576	3.5
177.12750	3.5
189.09114	8.4
191.07100	4.5
191.17899	7.1
194.07205	3.4
201.16388	26.8
206.72568	3.1
219.01831	4.4
219.10110	25.9
219.13840	6.6
219.17464	40.6
220.10545	3.1
220.14990	9.0
222.06609	3.0
228.10126	9.1
228.13820	9.1
229.15523	4.2
237.09077	7.8
237.11072	3.4
237.14536	24.6
237.18469	44.8
238.15996	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89277	0.2
54.24873	0.2
70.12872	0.4
70.13266	0.3
71.05006	0.3
81.07068	0.3
85.06554	0.4
91.05489	0.4
92.05023	0.2
93.07042	0.2
95.04976	0.2
104.04994	0.7
105.05746	0.3
106.06516	0.2
120.08102	0.4
121.31484	0.2
122.06066	1.5
127.66569	0.2
134.06065	0.5
137.04710	0.2
164.07080	100.0
165.05547	0.4
165.07579	0.5
166.08647	0.7
196.09702	1.6
233.30031	0.2
238.10837	0.7
242.20502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
66.04732	0.3
67.05507	0.4
69.03429	0.3
69.07079	0.2
69.58418	1.3
75.94449	0.2
77.03934	0.5
78.04671	0.2
79.05511	2.0
81.07063	1.2
81.44765	0.2
82.53056	0.2
85.01895	0.2
85.02914	0.8
91.05487	2.3
93.07027	0.3
94.04192	0.8
95.04960	1.0
105.03421	1.2
105.04550	0.3
105.07010	0.3
107.04979	0.6
109.06528	2.9
119.04951	0.6
121.06490	0.3
122.03665	0.7
133.02846	1.5
133.10165	0.3
135.04428	1.7
136.28479	0.2
137.05978	3.3
139.07550	0.2
147.04424	0.5
149.02327	0.6
161.09621	0.2
164.94774	0.3
165.05487	100.0
166.05836	0.4
179.07025	0.4
182.28073	0.2
207.06470	0.5
222.26971	0.2
239.09041	0.9
239.12865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0914
Annotation	Sinapic acid methyl ester
Peak:m/z	Relative Intensity
53.03931	0.6
55.01855	0.2
58.92075	0.2
65.03938	0.3
67.05489	0.5
69.03439	0.3
69.28049	1.4
69.28448	0.4
77.03934	0.4
79.05495	2.1
81.03373	0.2
81.07045	1.5
83.04963	0.3
85.02892	0.8
91.05486	3.6
93.07046	0.5
94.04183	1.5
95.04989	1.6
95.08618	0.3
98.20800	0.6
98.21455	0.3
101.06011	0.5
105.03416	1.6
105.04494	0.3
107.04935	1.1
109.06522	3.4
109.10132	0.3
111.04457	0.5
119.04942	1.1
119.06062	0.2
121.06492	0.3
122.03665	0.2
123.04424	0.5
123.08054	0.5
124.90815	0.2
133.02849	1.0
135.04422	3.4
137.05992	2.2
139.03886	0.8
147.04399	0.9
149.02335	2.7
150.03131	1.0
151.07567	0.4
164.07027	0.3
165.05482	100.0
166.05833	0.6
175.03902	0.9
179.07042	0.5
181.04921	0.5
197.08086	0.4
207.06490	1.7
208.91310	0.2
239.09084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0915
Annotation	Sinapic acid methyl ester
Peak:m/z	Relative Intensity
51.67113	0.2
53.03941	0.8
55.01863	0.3
55.81128	0.2
57.03428	0.3
65.03935	0.4
66.04710	0.3
67.05501	0.5
69.03436	0.3
69.41819	1.5
77.03915	0.3
78.04628	0.3
79.05132	0.2
79.05503	2.7
79.91253	0.2
81.03403	0.3
81.07063	1.3
85.02905	0.4
85.06542	0.3
91.05484	5.0
93.07053	0.4
94.04182	0.8
95.01325	0.6
95.04565	0.2
95.04978	2.2
95.08590	0.4
97.02888	0.2
98.97588	0.8
103.05454	0.4
105.03409	1.3
105.04498	0.5
105.07016	0.8
106.04183	0.4
107.04977	1.0
107.08649	0.3
109.06526	3.2
111.04404	0.3
116.98606	0.3
119.04946	12.4
119.08546	0.2
121.06507	0.7
122.03629	0.6
123.00790	1.4
123.04485	0.4
125.07942	0.2
133.02879	2.0
133.06500	0.9
133.10175	0.2
135.04431	1.3
135.08026	0.3
137.05023	0.3
137.06000	4.8
139.03908	0.3
147.04416	5.5
149.02310	0.3
150.06789	0.5
151.07550	1.2
155.03439	0.3
155.07034	0.5
158.99667	0.3
165.05481	100.0
166.03258	0.2
166.05833	0.5
167.07120	0.3
167.69476	0.2
175.03920	0.7
177.00893	0.2
177.05487	0.6
179.07054	4.3
193.05002	0.5
193.08548	0.2
195.58694	0.2
196.05350	0.2
197.08070	0.2
207.06535	1.3
211.07529	0.5
221.04539	0.2
229.80882	0.2
239.06898	0.4
239.08990	3.2
239.11081	0.6
249.23843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85098	1.8
53.03937	8.9
55.05301	1.9
55.05515	24.7
56.96556	2.8
57.03434	2.5
57.07063	3.5
65.03950	2.0
67.05169	3.2
67.05511	50.1
69.07072	14.9
70.38816	1.8
71.04973	3.0
72.04892	1.6
73.06557	2.3
79.05500	77.9
79.61678	1.8
81.03422	5.8
81.07063	41.3
83.04987	28.9
83.08624	8.9
85.02909	2.0
85.06543	5.6
89.06031	7.1
91.05486	62.7
93.07051	100.0
95.04968	18.9
95.08611	27.2
97.06535	5.6
97.10156	3.3
103.05441	2.0
105.04538	4.4
105.07039	40.3
107.04971	4.9
107.08607	21.6
109.06544	8.7
109.10136	4.8
111.04472	1.9
111.08073	2.6
117.07013	8.3
119.08579	27.9
121.06499	5.1
121.10137	5.0
123.08073	5.9
127.07571	2.1
129.07019	23.5
131.08583	3.1
133.08611	1.9
133.10144	12.7
135.11693	2.9
139.59337	1.6
141.06995	2.5
143.08534	10.8
145.10152	12.9
147.08029	2.4
147.11696	67.4
154.07828	1.7
155.03470	2.9
161.09636	7.4
161.13266	18.0
161.89590	1.7
165.05490	5.0
165.06897	2.0
171.11703	46.2
179.08534	2.4
179.14543	3.0
183.11742	2.6
189.12727	20.0
197.13382	2.7
207.13821	27.1
210.92096	1.9
221.15480	2.6
239.08931	51.1
239.17999	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	239.1642
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
50.45797	2.2
53.03939	7.3
55.01864	3.0
55.05517	16.7
56.96556	6.5
57.03432	4.0
57.07063	6.8
67.05164	2.8
67.05505	36.6
68.99768	2.9
69.03423	4.5
69.07056	6.8
71.01345	7.3
71.04988	5.6
71.08638	36.5
79.05500	27.0
80.94852	3.6
81.03422	86.9
81.07054	22.3
83.04985	7.9
83.08615	5.2
85.06522	2.5
85.89542	1.5
89.06047	2.4
91.05479	23.4
93.07050	17.2
95.04965	12.8
95.08615	31.7
97.06547	4.0
97.10168	2.8
99.04426	5.0
99.08097	29.8
101.41151	1.7
105.07046	24.8
107.04943	5.7
107.08614	7.9
109.06507	3.3
109.10165	16.2
111.04430	6.3
117.07014	2.3
118.79575	1.5
119.08591	24.6
121.06487	3.1
121.10131	5.2
121.91319	1.5
123.08066	22.2
123.11707	1.6
131.08508	1.8
133.06483	3.8
133.10178	8.7
135.11732	1.7
137.06012	1.7
137.09622	100.0
141.09108	78.6
141.83267	1.9
143.08556	1.7
147.08054	5.3
147.11676	3.4
151.07527	2.5
151.11183	2.3
152.13605	1.6
157.10092	2.0
158.28851	1.7
161.09596	3.1
161.13258	2.0
165.05493	3.8
169.10078	2.2
171.11647	2.4
175.14867	10.1
177.10316	2.4
177.12744	22.7
179.14317	2.4
185.13287	1.8
186.10896	4.0
193.15918	17.7
195.11450	3.0
203.14320	6.2
216.10689	3.7
221.15375	77.0
230.18840	1.7
239.08896	48.7
239.16418	7.7
239.18169	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	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.87185	3.7
55.01878	2.9
55.05513	37.9
57.03409	3.5
57.07082	17.3
59.05001	25.9
61.39396	2.7
62.45699	2.5
64.43090	2.5
65.03906	3.0
67.05506	28.5
69.03414	3.0
69.07071	41.0
70.67879	2.5
70.97169	6.8
71.04980	8.5
73.06549	3.7
75.63996	2.6
79.05502	13.6
81.07062	90.9
83.08619	26.7
84.75467	2.7
85.06541	8.5
91.05464	12.5
93.07053	35.7
95.08610	100.0
95.46306	2.6
97.06522	11.5
97.10167	22.6
99.08090	8.4
105.04510	4.4
105.07027	18.9
107.08613	55.7
109.06540	6.5
109.10155	50.8
111.08083	12.3
111.11727	23.3
115.07565	6.1
119.04934	5.9
119.08580	32.0
121.10163	31.4
123.11722	41.2
125.09621	13.7
127.11172	4.3
133.10150	36.5
135.11699	57.8
137.05997	4.9
137.12209	5.0
137.13263	72.4
139.11208	16.5
143.10680	13.1
145.10185	3.2
147.04362	3.4
147.11685	35.0
149.13312	17.3
151.11195	17.1
153.12688	4.2
157.12263	8.3
161.13229	17.6
163.14821	35.5
165.05496	64.6
165.12730	6.8
175.14783	7.0
177.16362	8.1
187.01401	3.2
187.75397	2.7
193.19543	9.8
203.17973	68.4
219.31032	3.0
221.19008	73.4
224.64467	3.0
239.08955	9.3
239.20064	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	239.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87185	3.7
55.01878	2.9
55.05513	37.9
57.03409	3.5
57.07082	17.3
59.05001	25.9
61.39396	2.7
62.45699	2.5
64.43090	2.5
65.03906	3.0
67.05506	28.5
69.03414	3.0
69.07071	41.0
70.67879	2.5
70.97169	6.8
71.04980	8.5
73.06549	3.7
75.63996	2.6
79.05502	13.6
81.07062	90.9
83.08619	26.7
84.75467	2.7
85.06541	8.5
91.05464	12.5
93.07053	35.7
95.08610	100.0
95.46306	2.6
97.06522	11.5
97.10167	22.6
99.08090	8.4
105.04510	4.4
105.07027	18.9
107.08613	55.7
109.06540	6.5
109.10155	50.8
111.08083	12.3
111.11727	23.3
115.07565	6.1
119.04934	5.9
119.08580	32.0
121.10163	31.4
123.11722	41.2
125.09621	13.7
127.11172	4.3
133.10150	36.5
135.11699	57.8
137.05997	4.9
137.12209	5.0
137.13263	72.4
139.11208	16.5
143.10680	13.1
145.10185	3.2
147.04362	3.4
147.11685	35.0
149.13312	17.3
151.11195	17.1
153.12688	4.2
157.12263	8.3
161.13229	17.6
163.14821	35.5
165.05496	64.6
165.12730	6.8
175.14783	7.0
177.16362	8.1
187.01401	3.2
187.75397	2.7
193.19543	9.8
203.17973	68.4
219.31032	3.0
221.19008	73.4
224.64467	3.0
239.08955	9.3
239.20064	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	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03943	2.2
55.01880	3.0
55.05498	10.0
56.96559	6.9
57.07066	9.5
57.63410	2.3
65.03937	2.5
67.05178	2.2
67.05506	33.7
69.07070	22.5
71.04996	13.3
71.08619	6.2
71.57841	3.7
75.62198	2.3
79.05489	21.8
79.07912	2.3
80.94851	4.0
81.07062	52.5
83.04983	4.5
83.08603	7.0
85.02946	2.4
85.06549	32.8
89.06029	6.6
91.05477	15.8
93.07056	33.4
95.04946	4.4
95.08614	78.0
97.06549	13.8
97.10157	7.1
98.97566	2.3
99.08078	6.5
103.28970	2.7
105.07031	22.5
107.08587	26.2
109.10174	33.6
111.08057	7.3
113.09666	4.3
117.06989	4.0
119.04897	3.5
119.08580	15.3
121.09309	4.3
121.10143	58.4
123.08053	3.6
123.11703	9.5
124.77762	2.3
125.09597	8.3
128.06209	5.3
129.07024	18.6
131.08574	6.4
133.08640	3.9
133.10127	20.5
135.11690	7.0
137.09631	5.3
138.57120	2.2
139.11159	10.2
141.06990	8.6
141.09103	2.3
142.07782	3.6
143.08566	12.6
145.10100	5.4
147.11710	15.7
151.11180	2.5
155.08583	15.1
157.10133	11.2
159.11696	6.2
161.05972	3.7
161.09645	6.8
161.13268	7.6
163.14816	7.4
165.05524	10.9
165.12788	3.3
168.04176	3.7
168.09319	3.1
169.10089	13.9
171.11700	26.2
172.92662	2.5
175.14868	6.3
177.16418	8.4
181.10162	3.3
183.11697	29.7
190.39410	2.4
195.11716	3.4
197.13280	24.5
203.17976	38.3
210.92178	3.6
211.14757	5.4
221.11821	2.6
221.15395	8.8
221.19006	17.8
239.08925	100.0
239.17998	88.0
239.20093	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	240.0868
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
55.27235	0.5
56.16368	0.5
69.03082	1.0
69.03434	14.6
69.63421	3.2
80.05007	1.5
87.04478	35.6
91.05477	0.7
91.28791	0.6
92.86652	0.5
106.06564	1.1
108.04494	5.0
109.02876	1.2
109.51949	0.5
110.06033	0.7
111.03179	3.3
117.86604	0.5
121.06487	0.6
122.57768	0.6
126.05532	16.3
134.06012	2.5
135.06807	2.9
138.05513	2.7
151.07549	0.9
152.07094	5.1
154.05008	31.9
154.38208	0.5
162.05511	3.2
163.06258	0.6
166.08661	3.5
167.03360	0.8
176.07124	1.1
178.08743	1.2
179.07045	1.9
181.04961	0.6
190.05023	0.8
194.08141	11.8
202.84683	0.5
204.11531	0.5
212.09200	2.3
222.07648	22.9
222.09831	1.1
223.02284	0.5
240.08696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.96579	1.3
65.03960	0.4
67.05501	0.5
69.03426	0.7
69.07047	0.3
70.06589	0.5
70.12957	0.2
70.98121	0.3
71.04971	0.3
71.55757	0.3
73.02914	0.2
73.13556	0.2
79.05490	0.3
81.03394	0.2
81.07064	0.5
83.04960	0.3
84.08165	0.3
85.02917	0.9
85.06535	0.6
87.04472	1.2
91.05496	1.3
93.03426	0.4
93.07069	0.3
94.06580	0.3
95.04966	0.6
97.02861	0.4
98.97607	0.9
103.05472	0.3
105.07011	0.5
107.04963	0.7
108.04475	0.5
108.08125	0.3
110.06040	1.4
110.07182	0.5
114.05522	0.3
114.98666	0.2
116.98586	0.8
117.05756	0.7
118.06556	2.6
120.04478	0.3
120.08089	1.2
121.06524	1.8
123.04478	0.2
124.07562	0.2
126.05508	0.6
126.95455	0.2
127.03931	0.3
132.08102	0.6
134.09659	0.9
134.99609	0.4
135.04422	0.4
135.06834	0.2
136.03970	0.4
136.07611	1.2
137.05975	0.4
143.01927	0.2
146.06030	9.6
146.09673	3.7
148.07594	0.3
151.07640	0.3
152.07082	0.6
154.05013	0.8
158.99678	0.2
160.07635	1.8
161.02985	0.3
162.05482	0.6
162.09206	0.4
163.03967	1.2
164.07079	3.6
166.04996	0.4
166.08710	0.6
177.00763	0.3
178.08652	18.3
178.12106	1.5
179.04689	0.2
180.06610	0.5
180.10263	0.3
181.07417	0.3
187.02748	0.2
189.00661	0.2
190.08681	1.3
192.10191	1.4
194.08173	1.7
194.11806	0.9
196.03650	0.2
196.09712	9.5
204.10103	0.3
207.08951	0.2
208.09711	4.9
210.07617	0.6
210.11240	2.4
217.00056	0.3
222.08020	1.0
222.11288	7.8
224.09200	0.5
225.09958	0.5
235.01247	0.3
240.08858	5.2
240.12326	100.0
241.10350	0.4
241.12686	0.5
241.15225	0.3
253.02061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
56.96574	2.9
57.03448	1.6
57.07080	5.2
58.06601	1.3
60.95843	0.7
63.16362	0.3
65.03947	1.0
67.04274	0.4
67.05511	13.1
67.05878	0.6
69.02695	0.3
69.03442	2.1
70.06593	0.6
70.36066	1.2
70.36412	0.3
70.98120	0.6
71.05003	2.3
72.08144	0.3
73.02915	0.6
81.03423	0.5
82.06591	0.9
83.04994	0.4
84.04521	0.4
84.08157	2.1
84.96043	0.4
85.02923	0.8
85.06552	23.8
85.08501	0.4
87.04490	0.4
91.05507	1.9
95.04984	2.1
97.02903	1.3
98.97591	8.4
100.60726	0.4
107.04989	0.6
108.04538	0.4
109.02878	0.4
110.06052	61.8
110.97581	0.9
111.06351	0.4
112.07605	1.9
116.98644	2.0
117.03364	0.6
119.04980	1.8
119.05673	0.4
121.06531	0.7
123.04417	0.8
123.06849	0.9
124.07633	0.8
124.99129	0.6
127.03890	0.4
128.98592	1.0
129.10266	0.5
130.08636	2.3
134.06027	2.4
134.99738	0.5
135.04439	0.6
136.06212	4.6
136.07278	0.6
137.06018	1.6
138.05536	0.5
143.00206	2.1
145.02789	0.5
146.05997	0.4
146.99559	0.9
147.03418	0.5
147.04398	2.5
148.07626	1.0
150.03627	0.5
150.05544	1.7
150.09184	1.0
151.07660	0.5
152.07092	2.8
153.05775	0.5
154.03920	0.4
158.99690	2.2
161.01305	1.1
163.03886	2.8
164.07153	0.4
166.08679	1.1
166.55486	0.4
168.03513	0.5
173.01170	0.6
175.56012	4.4
176.10783	0.4
176.43153	0.3
177.00737	1.3
178.08640	0.9
179.07039	0.8
186.04419	0.6
189.00616	0.4
194.08127	4.4
194.11781	26.7
196.09689	3.0
198.98892	0.5
199.04462	0.6
208.04860	3.5
217.00006	1.0
217.05501	3.4
219.01808	0.5
222.07477	1.2
235.01007	0.4
235.03044	0.4
240.08632	8.2
240.12363	100.0
241.13008	0.8
241.15536	2.8
253.02222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31529	0.1
55.05511	1.0
56.96579	0.1
57.07078	13.8
58.06603	2.7
65.03881	0.1
67.05508	1.8
69.07070	0.7
70.16212	0.2
70.16603	0.1
70.57407	0.1
71.08633	7.2
79.05508	0.1
81.06576	0.1
81.07059	2.5
83.08620	2.1
85.06553	0.2
85.10184	4.8
95.08609	6.6
97.10178	0.9
98.97633	0.1
99.06882	0.1
99.08110	0.1
99.11769	0.3
109.10159	4.3
111.11708	0.1
112.07615	0.1
113.13311	0.1
116.98618	0.1
123.11715	0.8
130.74156	0.1
165.16348	0.4
183.17453	5.0
240.09222	0.4
240.23221	100.0
241.23611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01884	1.7
56.96568	1.9
65.03938	10.4
67.05506	9.5
69.03431	8.2
70.87894	2.9
71.04994	2.6
79.05513	9.9
79.09232	1.4
80.05027	1.4
81.03442	3.5
81.07072	7.2
82.42226	1.4
83.04990	2.7
84.08160	2.8
87.04459	3.7
87.96751	1.5
91.05503	9.0
93.03409	13.6
93.07063	2.6
93.82356	1.3
95.01336	5.7
95.04989	8.7
95.05527	1.9
97.02902	30.7
97.06552	2.8
98.97585	5.1
105.06989	2.1
107.04970	7.9
107.08587	2.5
108.04475	5.7
109.06535	1.8
111.04449	8.8
111.05560	1.9
111.08096	1.6
116.98625	3.7
119.04917	2.2
121.02872	40.3
121.06514	4.9
121.10134	1.6
123.00793	4.3
123.04427	2.9
123.08096	3.1
125.06001	4.2
125.07185	2.1
127.05764	1.5
135.04439	10.7
136.03935	3.2
136.48090	1.3
137.05988	2.2
139.03925	18.9
145.02850	3.2
147.04468	1.8
149.02357	52.2
149.06087	2.1
149.09566	1.7
153.05479	37.1
155.05414	3.9
157.01540	2.0
163.03903	11.8
167.03410	59.6
167.07053	1.9
177.00725	1.7
177.05449	2.9
177.09200	2.6
181.04970	100.0
181.08473	2.9
191.03406	16.3
195.08301	2.3
205.04970	2.6
205.12108	1.7
209.04402	8.8
223.05980	4.3
223.07884	3.1
241.08775	10.7
241.10938	17.0
241.15479	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0708
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
53.03947	1.9
55.01884	1.7
56.96568	1.9
65.03938	10.4
67.05506	9.5
69.03431	8.2
70.87894	2.9
71.04994	2.6
79.05513	9.9
79.09232	1.4
80.05027	1.4
81.03442	3.5
81.07072	7.2
82.42226	1.4
83.04990	2.7
84.08160	2.8
87.04459	3.7
87.96751	1.5
91.05503	9.0
93.03409	13.6
93.07063	2.6
93.82356	1.3
95.01336	5.7
95.04989	8.7
95.05527	1.9
97.02902	30.7
97.06552	2.8
98.97585	5.1
105.06989	2.1
107.04970	7.9
107.08587	2.5
108.04475	5.7
109.06535	1.8
111.04449	8.8
111.05560	1.9
111.08096	1.6
116.98625	3.7
119.04917	2.2
121.02872	40.3
121.06514	4.9
121.10134	1.6
123.00793	4.3
123.04427	2.9
123.08096	3.1
125.06001	4.2
125.07185	2.1
127.05764	1.5
135.04439	10.7
136.03935	3.2
136.48090	1.3
137.05988	2.2
139.03925	18.9
145.02850	3.2
147.04468	1.8
149.02357	52.2
149.06087	2.1
149.09566	1.7
153.05479	37.1
155.05414	3.9
157.01540	2.0
163.03903	11.8
167.03410	59.6
167.07053	1.9
177.00725	1.7
177.05449	2.9
177.09200	2.6
181.04970	100.0
181.08473	2.9
191.03406	16.3
195.08301	2.3
205.04970	2.6
205.12108	1.7
209.04402	8.8
223.05980	4.3
223.07884	3.1
241.08775	10.7
241.10938	17.0
241.15479	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0708
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
53.03946	0.7
53.04721	0.6
55.01859	0.9
55.05521	3.3
55.41932	0.6
55.42208	0.6
56.41926	0.5
57.07066	0.9
63.02382	0.6
65.03944	6.9
67.05516	4.1
69.03436	15.3
69.07077	2.5
69.25388	4.9
69.25797	1.6
71.01350	1.5
71.05019	0.8
79.05503	6.3
81.03432	1.1
81.07081	4.4
83.04985	4.6
83.08608	0.9
85.02920	0.7
85.06543	0.9
91.05488	15.3
91.89563	0.7
93.03410	13.9
93.07040	1.8
93.18440	0.7
94.46538	0.6
95.01332	5.7
95.04990	2.5
95.08607	4.0
97.02898	100.0
97.06498	0.9
97.10223	0.7
98.97585	7.6
99.04507	1.0
99.08087	0.8
103.03952	2.7
103.05422	0.8
103.86781	0.7
105.07039	3.7
107.04974	6.2
107.08575	1.5
109.10161	2.8
111.04449	17.7
116.98619	2.3
119.04956	2.8
119.08620	1.0
121.02876	58.3
121.06499	0.9
121.10163	1.6
123.00810	6.2
123.04441	1.2
123.11674	1.2
125.05998	1.0
133.10216	0.8
134.99699	0.9
135.04427	22.4
135.08061	1.0
137.05951	0.8
137.13289	0.9
139.03908	23.7
139.11198	0.9
141.01854	1.9
145.02904	4.5
145.10188	0.7
147.00839	0.8
147.04416	1.6
147.11670	1.0
149.02350	97.9
149.05960	5.4
149.13249	1.1
153.05502	6.5
153.06674	1.0
158.99738	1.4
163.03912	20.7
165.05487	0.7
167.01994	1.7
167.03415	33.0
173.02362	3.3
177.00731	1.8
177.05498	9.6
181.04980	20.4
181.06412	1.1
191.03403	53.6
195.08203	0.7
195.10075	0.7
199.05907	1.0
205.04979	12.0
205.19685	0.9
209.04456	24.2
213.09187	0.8
223.05959	6.1
227.05412	3.6
241.04935	1.6
241.06844	1.6
241.08717	2.6
241.12210	0.9
241.21585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1074
Annotation	CMPF
Peak:m/z	Relative Intensity
53.03954	9.2
55.01867	1.9
55.05524	1.4
57.03439	2.2
59.06851	1.0
67.05506	1.8
69.03420	2.7
69.48049	7.7
79.05499	8.6
80.88536	1.0
81.03425	19.1
81.07032	1.7
81.38053	1.2
83.04978	5.7
91.04910	1.1
91.05486	22.6
93.07053	15.3
95.04974	4.0
95.70336	1.1
97.06525	2.1
98.20851	2.7
98.97599	2.6
105.07022	2.7
107.04965	4.0
107.08610	10.1
115.05450	1.9
117.07030	100.0
119.08576	7.8
121.02863	1.9
121.06533	7.5
121.10157	4.6
123.04436	2.8
131.08589	12.2
133.06490	2.6
135.08055	21.1
139.62025	1.2
143.08574	1.4
145.06488	2.8
149.02394	1.7
149.09639	10.9
155.07062	1.5
159.08093	6.5
163.07552	19.9
167.03387	3.6
177.09134	28.4
181.04982	3.8
181.08571	1.6
187.07535	2.5
195.10208	27.7
205.08611	15.1
215.12805	1.2
223.09740	10.4
241.10454	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94089	0.2
56.00037	0.2
58.06604	13.6
69.03468	0.3
70.06596	2.5
70.86855	0.6
71.04971	0.2
72.08157	0.2
74.92453	0.2
80.05017	0.8
81.03403	0.8
84.08145	7.6
85.02908	0.6
85.06539	0.5
97.02901	0.5
98.06084	0.3
98.09684	1.1
98.97576	0.8
100.11239	0.4
101.00880	0.4
114.05544	0.5
123.59229	0.2
124.74694	0.2
126.05507	0.4
128.10725	3.0
141.96173	0.2
143.01888	0.3
144.10167	1.0
149.08116	0.2
152.07051	0.4
152.10672	0.2
168.10225	0.7
175.04587	0.3
180.05338	1.7
181.06052	0.6
185.46413	0.2
196.09692	3.9
198.06407	0.4
213.15926	0.4
241.08711	2.6
241.15479	100.0
242.15819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1551
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03926	0.2
56.07107	0.2
56.96568	0.4
57.03437	0.3
58.06604	14.4
67.05492	0.2
69.03414	0.3
69.61455	0.9
70.06596	2.2
70.95103	0.2
71.04978	0.3
72.08140	0.4
78.92999	0.2
79.01925	0.2
81.03423	0.6
84.08146	8.1
85.02891	0.2
85.06504	0.3
95.54530	0.2
98.06055	0.3
98.09703	1.1
98.97588	1.9
100.11253	0.2
101.00858	0.4
114.05495	0.4
116.07105	0.3
116.98609	0.7
119.01933	0.3
124.07552	0.3
126.05523	0.2
126.09148	0.4
128.10721	3.3
144.10188	1.1
158.08058	0.2
161.02867	0.2
163.06108	0.4
164.07001	0.2
167.03496	0.2
168.10228	0.8
170.04958	0.2
172.02913	0.2
172.06572	1.0
177.00777	0.3
181.05055	0.2
181.07036	0.4
193.56415	0.2
195.05083	0.2
196.09688	4.5
197.02852	0.3
204.28868	0.2
213.16000	0.4
215.81847	0.2
219.73099	0.2
224.87845	0.2
241.15477	100.0
242.15779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2163
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03933	3.5
55.05267	1.8
55.05513	33.3
56.96574	2.2
57.03423	2.9
57.07070	12.6
58.06596	2.6
59.04983	2.7
61.83681	1.6
65.03929	5.8
67.05511	25.6
69.03415	5.5
69.06722	2.9
69.07072	43.0
71.01348	1.7
71.04996	40.7
71.08628	4.7
71.59412	1.7
73.06523	2.1
79.05501	16.9
81.03434	2.9
81.07060	100.0
83.04986	11.1
83.08624	34.0
83.50211	1.8
85.06548	19.4
91.05480	7.1
93.03407	10.7
93.07053	27.9
94.30888	2.1
95.01331	2.1
95.04945	3.4
95.08612	78.9
97.02887	11.3
97.06532	4.1
97.10168	11.9
97.38901	1.5
98.97572	12.4
99.04477	1.8
99.08094	33.2
101.09653	1.8
103.03949	5.6
105.07024	4.4
106.76063	1.5
107.04952	5.0
107.08601	22.6
109.10166	56.6
111.04454	25.8
111.11725	4.6
113.09642	5.3
116.98589	4.3
119.04904	1.9
119.08591	2.1
121.02859	15.0
121.10151	19.7
123.11713	37.8
125.13279	2.8
127.03987	1.7
127.11215	8.7
135.04391	5.6
135.11711	21.4
137.13264	52.6
139.03915	15.5
139.11157	3.3
141.12711	7.9
149.02361	16.9
149.13266	30.3
153.05475	17.0
153.06660	2.8
153.12724	14.1
155.14420	2.0
158.96748	1.6
158.99702	5.0
163.03897	2.0
163.14824	3.2
167.03409	21.0
167.14363	1.9
177.00710	2.2
181.04974	25.0
182.77345	2.0
191.03362	4.7
193.19537	6.7
198.06660	2.2
199.06085	3.5
205.16010	2.1
205.19505	19.3
209.04417	12.4
211.18564	3.9
211.20569	52.9
220.10487	6.2
220.60463	2.3
223.20592	22.3
226.06284	4.1
227.05539	2.8
238.51590	1.7
241.04929	2.5
241.08888	12.5
241.21637	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	241.2165
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03956	1.9
55.05270	2.3
55.05516	30.0
56.96546	4.9
57.03424	3.0
57.04533	1.5
57.07071	7.6
59.05005	2.4
63.57358	1.5
65.03931	1.7
67.05185	2.5
67.05511	39.0
69.03418	2.3
69.06720	2.5
69.07072	35.4
71.04998	15.1
71.08624	4.6
71.56671	2.6
79.05505	15.2
81.07063	89.1
82.94547	2.2
83.08622	22.8
85.06075	2.4
85.06548	35.7
91.05469	7.2
93.07051	39.2
95.04972	1.8
95.08616	100.0
97.06549	7.4
97.10175	21.5
98.97588	19.5
99.08096	10.0
105.07025	4.0
107.08604	34.1
109.06538	1.6
109.10166	71.2
111.08068	3.9
111.11713	4.4
113.09653	16.9
116.98602	13.5
117.07039	2.8
119.08541	2.6
121.06496	8.8
121.10158	35.8
123.11725	57.9
125.09608	4.0
127.11196	4.2
129.07005	2.0
131.08534	2.5
133.10114	1.9
134.99670	3.7
135.11708	36.1
137.13264	5.1
139.11171	3.7
140.00201	4.1
141.12727	4.5
143.08577	1.7
145.10103	2.7
147.11621	1.7
149.13269	32.3
153.06987	1.7
153.12723	4.5
153.13916	2.0
157.10139	2.0
158.01247	3.1
159.11656	3.1
163.14830	13.6
165.16418	3.9
167.03418	2.2
167.14316	2.2
171.11722	3.7
173.13226	1.9
177.00720	4.5
177.16374	4.2
179.17978	3.6
181.04921	1.7
181.15833	2.3
185.13249	3.0
205.19537	60.8
205.21465	3.6
209.06024	16.1
223.17018	2.3
223.20604	30.2
228.17938	1.6
241.08940	3.0
241.12065	2.4
241.16069	2.6
241.19502	12.8
241.21645	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	242.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.3
57.03435	13.8
58.06604	7.4
59.04998	1.3
59.06931	2.3
61.02926	1.6
66.47794	0.9
68.85052	0.9
69.03420	1.3
69.79690	4.7
70.06601	1.3
71.01354	8.0
71.04984	3.1
72.52974	0.8
73.02920	7.9
80.05022	14.6
80.70161	0.9
83.01343	2.6
84.08129	3.1
85.02930	5.3
85.08467	1.5
87.04465	7.8
89.02398	6.8
97.02883	2.0
101.02383	17.7
103.03935	2.9
111.00803	1.1
113.02379	2.2
115.03938	34.8
119.01971	1.0
128.10709	1.0
129.01843	25.7
133.04964	4.4
141.01833	1.7
143.03401	19.1
152.07018	2.6
157.01337	35.5
159.03050	1.4
161.04459	20.9
171.02931	4.3
175.02406	1.2
189.03952	100.0
196.00963	1.5
196.09729	9.3
197.09961	2.6
198.24982	0.9
205.22919	1.2
207.05008	7.5
224.07602	3.3
225.05952	1.3
242.04817	1.1
242.10373	11.2
242.15819	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	242.154
Annotation	Acutine
Peak:m/z	Relative Intensity
55.35714	0.2
56.05026	0.3
59.87733	0.1
62.42753	0.2
65.03938	1.3
69.95683	0.8
74.06083	1.6
83.04982	0.2
85.02914	0.5
91.05487	100.0
92.05836	0.2
95.04979	0.2
105.07033	1.1
107.48611	0.2
114.42503	0.2
129.54355	0.2
132.08122	0.5
134.09647	2.3
137.32765	0.2
139.03882	0.2
150.09149	6.1
153.06995	0.2
165.07040	0.4
166.07797	1.4
173.97121	0.2
181.10123	6.8
186.94968	0.2
210.06482	0.5
225.04408	0.3
242.15414	37.7
243.05252	0.4
243.15709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.6
60.22366	0.1
70.48455	0.2
82.99840	0.9
98.96931	0.2
98.97585	3.7
101.00889	6.6
116.98636	1.7
119.01931	7.9
120.39728	0.1
122.97847	0.2
132.42375	0.1
134.99820	0.6
137.02968	0.9
140.98831	1.3
142.03560	0.3
157.01794	0.2
158.99899	4.4
165.99686	0.2
175.03052	0.5
177.00960	17.0
178.01097	0.2
182.99873	1.1
196.94534	1.1
197.02905	0.2
199.03065	0.3
201.00925	3.8
214.35872	0.2
214.95618	2.0
217.04092	2.8
219.02011	22.2
219.96136	0.2
220.02107	1.8
225.00826	2.2
228.98817	0.5
232.96599	0.7
234.00804	0.4
237.97092	1.0
238.95522	0.2
240.49519	0.3
242.03485	0.3
243.01990	12.2
244.02327	0.2
255.98413	0.3
261.03067	100.0
262.03198	1.4
263.03369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
53.27761	1.3
55.01879	2.7
55.05511	2.9
56.96569	10.5
57.03447	6.2
58.06600	1.8
61.02915	5.3
67.05490	2.3
69.03423	7.9
70.06583	2.9
70.39656	1.3
70.40008	3.9
70.98119	2.4
71.05000	17.6
73.02905	5.0
79.05477	2.6
81.03415	4.0
81.07054	2.7
82.99844	2.6
83.04973	4.6
84.04522	1.4
84.08146	2.3
84.96033	2.6
85.02434	1.8
85.02914	27.7
85.06563	2.1
86.03241	1.7
86.09697	2.4
87.04467	2.5
88.99181	1.2
91.05492	18.7
93.07052	12.2
95.04984	5.8
97.02903	8.7
97.06518	1.1
98.97594	12.1
99.04459	2.8
101.00886	19.3
102.50906	1.2
102.53269	1.2
103.05486	11.3
104.10755	8.5
105.04506	1.5
107.04942	2.5
109.02876	1.6
109.06494	3.1
110.06057	2.3
110.97583	2.9
111.00228	1.3
111.04446	2.5
112.05102	15.9
113.00871	3.9
115.02412	2.8
116.98620	4.1
118.01076	1.8
119.01931	19.0
119.04934	3.7
120.02003	4.3
121.01643	2.5
121.06513	100.0
122.06835	3.4
124.95741	1.5
124.99061	1.1
125.02380	1.7
127.02392	3.4
127.03901	3.9
128.98599	3.1
129.03970	1.8
129.05458	5.4
131.01930	9.4
133.01608	2.3
133.03477	7.0
134.02309	4.1
134.99648	1.1
135.04399	1.7
137.02983	1.6
137.05981	19.6
138.00774	1.8
139.03908	1.5
140.05313	2.6
143.00172	1.7
143.01894	13.1
143.02855	2.1
145.03426	6.3
145.04984	3.3
147.01340	2.7
153.01253	1.4
153.03880	2.5
154.50861	1.5
155.00136	1.6
155.01942	9.4
157.03467	7.9
158.99686	3.7
159.03217	1.8
159.05009	1.6
161.02974	14.3
162.03249	1.8
163.03922	3.2
165.04047	1.6
165.05429	1.7
167.02002	2.2
167.05511	1.9
169.03535	6.3
170.04015	1.9
170.05206	1.4
171.05072	2.1
172.97545	1.5
173.00851	1.0
173.01486	1.3
173.02939	9.9
174.01845	2.4
175.04518	2.3
177.00775	3.0
179.02008	1.5
179.04359	2.2
179.05582	4.8
181.03455	3.2
182.99657	1.7
183.02393	8.9
183.05054	3.2
185.01442	1.5
185.02940	7.1
185.06581	1.8
187.04504	6.7
188.06073	1.4
189.00726	1.5
189.02325	2.5
190.98584	1.6
191.03995	2.5
192.02858	5.1
195.05008	10.0
197.03003	7.0
197.06035	1.3
198.02800	1.3
201.00667	5.7
201.02466	7.7
201.06007	3.3
202.02646	3.6
203.02367	1.8
203.04030	9.7
205.03659	1.7
205.05550	1.9
213.06013	2.9
213.09903	1.3
215.02026	1.3
215.04053	3.5
217.05484	1.4
219.01823	6.3
219.03624	2.1
220.04048	4.0
221.05002	4.6
222.03815	1.4
222.44749	1.4
223.04541	1.6
223.06619	4.3
225.03070	1.6
225.09741	2.4
227.04028	3.3
229.05589	4.3
231.01888	1.2
231.05141	1.7
234.03923	1.4
237.02635	1.9
237.06145	2.0
239.04012	1.5
241.07730	1.4
243.03107	4.8
243.07161	3.7
243.12015	3.0
243.15923	8.2
245.02917	1.9
245.05128	26.9
249.06050	2.1
255.07164	1.6
257.05142	2.1
261.03168	5.6
263.06146	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	243.0865
Annotation	Genipinic acid
Peak:m/z	Relative Intensity
53.03956	5.8
55.01877	3.0
55.05512	3.6
56.96572	3.2
57.03439	6.0
59.05000	1.0
61.02935	1.3
65.03930	1.9
67.05510	11.0
69.03436	12.8
69.07072	4.4
69.81781	2.3
69.82191	3.5
70.06581	1.3
70.98137	1.4
71.01335	1.7
71.04992	7.5
73.02928	2.7
77.03935	1.3
79.05501	12.2
81.03430	10.8
81.07062	33.1
83.04982	6.8
83.18758	0.9
83.52989	1.0
84.08155	2.1
84.96021	1.2
85.02916	8.5
85.06555	3.0
86.09702	1.2
91.05483	13.4
93.07051	10.4
93.61362	0.9
95.01342	4.7
95.04977	78.5
95.08637	5.1
97.02895	14.6
97.06547	5.3
98.06045	1.0
98.21073	2.5
98.97586	8.9
99.04446	2.9
99.08092	2.4
103.05473	1.7
105.04512	2.6
105.07050	9.2
107.04940	2.3
107.08603	4.0
109.02879	4.4
109.06532	13.3
109.10182	1.8
111.04438	2.4
111.08103	2.3
112.11259	3.7
113.06025	2.3
114.02379	1.1
115.03885	1.5
116.98617	2.4
117.06993	1.1
119.04955	6.0
119.08595	4.2
121.06527	15.2
121.10190	1.1
123.00803	9.1
123.04442	34.7
123.08067	7.0
125.02364	100.0
125.05989	3.2
125.09654	1.0
127.03901	6.5
127.07560	1.5
128.06229	1.5
129.06920	1.3
131.08618	1.7
131.20508	0.9
132.10219	1.2
133.06532	5.3
133.10146	2.4
134.99654	1.1
135.08083	2.6
137.05992	11.7
137.09590	1.8
139.03909	12.3
139.07544	1.9
141.01843	5.6
141.05479	8.7
141.09097	0.9
143.08554	2.9
145.04985	1.4
145.06477	1.1
147.04424	2.8
147.08093	2.4
149.06023	2.2
151.03915	68.8
151.07565	4.5
155.07050	6.2
157.06458	1.8
158.99670	1.5
159.08148	1.1
161.09634	2.3
165.05486	47.9
165.09120	3.5
167.03409	13.2
167.08429	1.1
169.04980	11.5
169.08702	1.7
169.10106	1.2
171.08054	1.8
173.09673	2.2
175.04018	2.0
179.07063	2.4
179.10739	1.7
181.12291	1.0
183.06554	5.2
183.08058	1.2
183.10144	1.6
185.02847	1.3
189.09219	1.7
193.05023	8.4
197.08116	1.6
207.10226	3.1
211.06035	77.0
215.14268	1.1
225.07613	3.2
225.11232	4.4
225.13091	1.7
229.07118	14.6
231.05194	4.7
231.55426	1.9
243.06479	1.9
243.10159	2.2
243.12271	4.3
243.13979	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	243.0865
Annotation	Gardenogenin A
Peak:m/z	Relative Intensity
50.06031	1.4
51.73215	1.6
53.03945	3.7
55.05481	1.5
59.05000	3.6
65.03929	2.1
67.05504	8.9
69.43571	10.4
69.43974	3.5
71.01350	1.4
71.04991	4.3
79.05489	2.5
81.07063	2.5
83.04981	2.0
91.05466	4.6
93.07017	2.0
95.01370	2.5
95.04977	73.5
97.02911	7.1
103.03959	1.5
105.07043	1.7
109.02898	2.4
109.06518	6.5
110.84423	1.5
111.04440	2.9
119.04953	3.8
123.00795	6.8
123.04440	27.7
125.02362	44.0
133.02852	2.2
137.06042	7.8
137.06924	2.1
139.03917	51.4
141.01839	2.1
141.05519	7.3
144.95543	1.5
147.04439	4.7
151.03915	100.0
155.03401	1.8
155.07031	5.0
165.05486	78.5
167.03403	2.9
169.04996	5.4
175.03955	2.6
179.07053	2.6
181.04948	2.7
183.06549	10.7
193.04968	8.9
211.06023	22.9
225.07585	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	243.0866
Annotation	Lamiophlomiol A
Peak:m/z	Relative Intensity
53.03942	0.9
55.05510	0.4
55.52389	0.3
59.13491	0.4
61.72198	0.4
67.05505	1.4
69.03420	0.6
70.89940	0.4
71.12529	0.9
79.01842	0.6
79.05473	0.7
81.03429	0.5
81.07053	0.9
83.04977	1.7
91.05468	1.7
95.04977	14.6
97.02894	2.0
97.06570	0.5
98.97585	1.7
109.02869	0.7
109.06512	1.7
111.04445	3.0
119.04956	1.0
121.06501	0.6
123.00783	2.0
123.04440	6.4
125.02363	14.1
137.05951	1.9
139.03906	100.0
141.01819	0.4
141.05478	1.1
147.04463	1.2
149.06024	0.5
151.03912	19.5
155.03471	0.4
155.07021	1.3
158.99660	0.7
165.05484	14.8
167.03419	7.2
169.04977	1.3
169.08606	1.2
175.03999	0.8
177.00833	0.4
181.04965	4.7
183.06544	0.9
185.02908	1.0
193.04953	2.9
199.05954	0.6
209.41023	0.4
211.06047	4.8
225.07681	1.0
243.08725	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15549	0.5
53.58654	0.4
56.96558	0.7
57.03438	0.6
60.05641	1.2
69.03419	0.5
69.07052	1.3
69.53757	0.4
70.06605	2.1
70.75278	1.0
79.05520	0.6
81.04511	0.5
81.07052	0.6
83.04993	0.8
84.04496	0.9
85.02917	0.4
86.09694	1.5
87.77042	0.4
91.05472	1.4
93.07033	1.3
93.45885	0.4
95.04975	6.3
97.82449	0.4
98.97575	1.2
105.07056	0.7
109.06531	1.1
116.07052	1.2
119.04918	1.3
121.06522	3.7
123.04465	0.6
123.08050	0.8
132.10213	0.8
135.08134	0.4
137.05981	1.3
139.03922	1.6
147.04408	0.5
147.08038	0.8
151.03879	1.1
151.07512	0.5
158.64400	0.4
158.99550	0.4
163.03816	0.4
165.05489	1.7
165.09122	3.3
171.06320	2.5
175.11873	0.5
179.04634	1.1
179.07085	0.6
179.54811	0.4
181.12268	0.8
193.04942	0.6
196.45161	0.4
197.12952	0.6
207.10138	2.0
211.06125	0.8
219.01646	0.5
225.07640	0.4
225.11006	2.8
243.12057	100.0
243.18178	2.6
244.12492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.05504	1.2
56.96547	1.9
57.03425	1.3
59.16071	0.7
67.05503	2.0
69.03425	2.1
69.07084	1.5
70.06602	0.9
70.50448	1.8
71.04990	1.4
75.22895	0.6
79.05488	2.7
81.03416	1.3
81.05782	1.0
81.07072	5.7
83.04967	2.1
84.08136	1.5
85.02896	2.2
91.05489	3.1
93.07056	2.1
95.04978	8.1
95.08604	1.7
97.02893	1.4
97.06513	1.0
98.09695	1.4
98.97601	3.9
99.08135	1.0
103.05483	0.7
105.07040	1.4
107.01110	0.6
107.04935	1.0
107.08622	0.7
109.06500	2.1
109.10115	0.8
111.04436	0.7
112.02161	0.8
112.11246	1.6
113.04224	0.7
114.03779	1.6
117.07014	0.6
119.04940	1.2
119.08552	1.3
121.06529	5.9
123.02588	0.7
123.04431	4.3
123.08066	2.0
125.02346	3.6
125.05969	0.9
128.07018	0.7
131.08574	0.7
137.06007	0.7
137.09668	0.9
138.54039	0.6
139.03877	2.5
140.01654	1.4
140.05313	9.0
141.06845	0.6
147.04430	0.7
147.08020	1.4
151.03917	9.4
151.07494	1.8
165.05499	10.4
165.09134	2.8
168.01091	1.1
179.10706	1.2
183.06593	1.1
186.02277	1.4
193.04968	1.8
198.14906	2.5
198.95352	0.6
207.06380	0.7
207.10213	3.0
211.06004	1.9
222.08261	1.2
225.07620	1.6
225.11005	4.3
226.14412	4.2
243.08023	4.6
243.12057	100.0
244.12462	0.6
261.10065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01857	10.5
55.05516	15.6
57.03430	11.0
61.02917	5.0
67.05511	19.0
69.03075	3.3
69.03429	44.6
69.07073	19.8
70.04607	11.4
70.61054	2.3
71.01351	3.7
71.04986	11.7
73.02906	6.6
79.05495	34.8
81.03425	29.4
81.07064	100.0
83.04986	36.9
83.08630	4.3
84.08143	3.9
85.02916	19.6
85.06562	2.9
87.04478	3.0
91.05485	22.0
93.07053	27.4
95.04979	42.9
95.08644	18.8
97.02900	30.0
97.06522	14.3
99.04453	9.8
99.08077	6.8
99.43654	2.3
100.59760	2.8
103.03939	4.3
103.05501	3.3
105.07040	26.6
107.04972	6.6
107.08617	12.2
109.02879	8.1
109.06532	29.5
109.10165	8.4
111.04441	5.0
111.08092	23.3
112.11238	5.4
115.03922	5.1
117.07030	3.8
119.04958	3.3
119.08602	15.1
121.06513	16.4
121.10146	5.2
123.00777	3.6
123.04442	13.7
123.08078	56.8
125.02367	12.9
125.05936	3.7
127.03934	9.1
128.06219	6.7
129.05479	5.0
131.08562	9.1
133.06454	2.4
133.10127	7.7
135.08073	14.9
137.05983	5.7
137.09604	7.4
139.03917	4.1
139.07561	4.8
141.05432	3.8
143.08577	6.9
145.04919	4.4
145.10072	3.2
147.08051	8.8
149.09602	10.6
149.35565	3.1
151.03926	25.1
151.07503	3.7
153.09113	3.4
155.08578	3.5
159.08145	3.1
161.09583	17.1
165.05470	23.3
165.09174	14.0
171.08028	3.9
173.09645	7.1
177.09103	9.3
179.10712	5.0
183.08084	2.4
189.09099	12.2
193.04951	3.2
195.10133	3.2
207.10211	14.9
211.06038	11.1
212.21306	3.3
225.11145	19.0
243.12265	22.6
243.14030	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	243.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.5
55.01875	8.7
55.05500	9.1
57.03450	20.5
57.35903	2.0
61.26767	2.3
65.03928	2.4
67.05511	11.7
69.03432	34.7
69.07059	10.5
70.06593	2.5
70.53979	7.6
71.01357	3.4
71.04642	2.3
71.04994	10.5
79.05503	26.5
81.03436	18.1
81.06580	4.9
81.07060	100.0
83.04992	18.0
83.34164	2.5
84.08150	3.6
85.02902	30.1
91.05480	18.1
92.93703	2.3
93.07048	21.4
95.04974	31.9
95.08615	8.5
97.02911	14.2
97.06555	6.8
98.97586	16.1
99.04456	10.7
99.08103	12.1
102.19376	2.4
103.05440	3.1
105.07033	7.8
107.04954	4.4
107.08611	4.5
108.32510	2.7
109.02883	5.2
109.06515	10.2
109.10167	5.0
111.04462	5.6
111.08094	8.8
112.11254	5.0
115.03943	4.6
116.98598	3.5
117.07019	3.4
118.55098	2.4
119.04992	4.1
119.08586	8.2
121.06506	22.7
123.04433	8.9
123.08077	14.0
127.03951	13.7
129.05478	5.0
131.08620	3.1
133.10162	3.7
133.90536	2.1
135.08063	4.6
137.05998	4.5
137.09589	4.3
139.03891	4.0
139.07562	4.5
139.11053	3.8
145.04958	5.1
146.21179	2.5
149.09666	3.1
151.03914	37.0
158.99683	4.8
161.09616	5.9
165.05499	30.7
165.09117	5.3
177.09016	2.9
179.04652	4.7
179.10789	2.7
187.53247	2.8
188.36752	2.4
189.09111	4.9
193.04953	4.4
196.06743	15.4
207.10121	8.4
211.06012	3.9
225.11208	11.7
243.06885	3.4
243.10010	5.5
243.12263	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.5
58.74475	0.3
61.87591	0.2
69.82617	1.3
82.99864	0.7
97.14359	0.2
98.97577	1.1
99.97899	0.4
100.02490	0.2
101.00887	7.8
102.00955	2.2
116.98632	0.7
117.98943	0.3
119.01929	16.3
120.02013	4.2
121.01620	0.4
134.99867	0.4
135.99922	0.4
137.02974	2.4
138.03076	0.5
141.98921	0.8
142.03502	2.0
143.01929	0.8
149.99278	0.2
155.01793	0.3
158.99872	0.7
160.00000	3.4
160.04552	0.6
160.99614	0.3
161.02960	5.1
172.02698	0.2
173.02962	0.3
176.03134	0.3
177.00964	3.2
178.01054	16.0
179.00676	1.5
179.04016	5.3
183.99989	0.5
184.04550	0.7
185.02966	0.5
201.00873	0.3
202.01047	2.8
202.05609	0.7
203.00751	0.5
203.03978	0.7
218.04170	2.7
219.02002	1.8
220.02135	21.7
221.01808	4.9
221.05006	0.5
226.00940	2.1
235.00755	0.5
238.95779	0.2
238.98360	1.0
244.02095	10.7
245.01892	0.4
245.05051	0.7
261.02875	0.3
262.03210	100.0
263.02911	5.6
264.03754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0931
Annotation	Cytidine
Peak:m/z	Relative Intensity
53.03959	0.2
55.01869	0.5
56.96562	1.6
57.03436	0.9
57.63802	0.2
59.04999	0.3
61.02922	1.0
69.03440	1.3
69.04562	1.0
70.06592	0.6
71.04993	0.6
71.13914	0.4
73.02908	1.1
79.05474	0.2
79.15749	0.2
81.03419	0.5
84.04518	0.9
84.08147	0.4
85.02907	2.6
87.04489	0.3
87.25520	0.2
91.03941	0.3
91.05492	0.3
93.07056	0.3
94.04051	0.4
95.02468	2.2
97.01411	0.3
97.02911	1.5
97.99185	0.3
98.21072	0.3
98.97589	2.3
101.00882	2.1
101.31630	0.3
102.00961	0.4
103.05507	0.3
104.10767	0.2
105.11040	0.4
106.59457	0.2
109.02863	0.4
110.97562	0.3
112.05096	100.0
112.99152	0.7
113.03502	1.9
113.05441	0.5
115.02441	0.4
116.07113	0.3
116.98640	0.6
117.02904	0.2
119.01942	2.4
121.06516	1.8
122.07030	0.2
126.03915	0.2
127.03930	0.4
128.98590	0.3
130.05095	0.4
131.00218	0.4
131.01974	0.5
133.01675	0.2
133.03465	0.8
134.03595	0.2
137.03065	0.3
137.06013	0.2
142.03528	0.8
143.00108	0.3
143.01903	0.9
144.02176	0.2
145.03484	0.4
154.01808	0.6
155.01828	0.3
157.03456	1.8
158.01193	0.3
158.03647	0.2
158.99597	0.2
160.04578	0.8
161.02997	0.7
163.02722	0.2
163.04260	0.4
166.03568	0.4
166.09859	0.3
173.03008	1.2
174.03085	0.3
174.06187	0.4
175.02759	0.2
175.04564	0.7
184.02872	0.7
184.04585	2.7
184.05693	0.3
185.02991	0.7
188.97119	0.6
189.02370	0.3
191.04044	0.7
198.06207	0.3
202.03889	1.2
202.05708	0.7
203.02281	0.5
203.04031	1.3
205.05594	0.3
215.03993	0.3
221.03296	0.3
221.05125	0.3
223.06757	0.4
226.05693	0.3
226.09702	0.4
226.11951	0.4
239.04395	0.4
244.04826	0.4
244.07106	0.4
244.13120	0.4
245.05199	0.6
246.05238	0.2
262.03232	0.9
263.06073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76282	1.5
51.35168	1.5
53.03943	2.1
53.16752	1.7
53.30907	1.5
54.09683	1.4
55.01872	2.1
55.05507	5.1
56.96562	3.0
58.06589	7.1
58.15907	1.5
59.05009	17.9
60.04536	10.8
62.06058	2.1
63.09778	2.0
67.05491	5.0
69.03127	2.0
69.03433	23.4
69.07050	3.4
70.06590	4.6
71.04978	6.4
71.55989	3.3
72.04495	2.2
79.05499	5.8
81.03441	2.0
81.07067	11.4
82.06587	3.9
83.04991	29.9
84.04501	4.2
84.08131	7.1
85.02908	4.1
85.06556	3.5
86.06096	9.9
86.09711	7.0
91.05473	6.5
92.05784	3.3
93.07044	8.6
94.06552	2.1
95.04980	44.8
95.08600	2.7
96.05320	4.5
96.08105	2.9
97.06512	2.5
98.97578	6.7
100.07607	3.1
101.06009	1.9
103.05473	2.3
105.07027	2.2
107.08585	6.8
109.06527	58.2
109.10145	2.3
110.06036	2.8
110.06837	2.8
111.04419	3.7
112.05076	3.0
112.07591	12.8
113.06020	12.2
116.98617	2.5
120.08941	1.9
121.06508	15.2
121.10135	6.0
122.06834	3.4
123.04449	1.8
123.08058	3.7
124.04801	2.8
125.05987	3.7
125.09605	4.2
126.05504	3.8
128.07104	13.4
130.08658	1.7
137.05965	2.4
137.09615	6.0
138.06297	2.3
138.09129	2.9
139.03958	2.5
139.11182	3.2
140.05251	1.8
142.03229	2.9
147.04366	2.2
148.08356	3.4
148.11143	2.2
149.09641	32.3
151.03952	2.0
152.04344	3.3
154.08650	10.6
155.05203	2.8
162.09962	2.4
165.05420	3.0
166.05798	5.8
166.09488	9.3
166.12245	3.9
167.05807	1.8
167.10684	57.5
168.10213	2.4
172.09772	4.2
184.13431	2.1
185.11804	10.9
190.09500	2.7
194.05247	2.8
196.10730	1.6
198.11246	2.1
208.10533	10.8
208.13364	7.8
226.11514	3.4
226.14464	8.1
232.07677	2.1
238.82301	1.7
244.09908	3.0
244.15456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0062
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	1.9
70.24721	4.6
72.17668	1.5
92.15201	1.6
95.77261	2.0
97.77643	1.7
98.20872	2.7
101.00845	4.9
104.10757	31.1
113.05408	3.7
119.01902	4.8
131.01913	1.9
143.01859	2.8
155.01906	2.6
161.02866	3.2
173.02953	2.2
185.02940	5.3
199.14552	2.3
202.47694	1.9
245.05038	4.8
245.13565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99866	0.2
60.74446	0.2
66.35218	0.2
67.62327	0.2
68.98279	0.2
69.03420	0.6
70.60011	0.5
81.03408	0.6
82.99831	1.2
83.00290	0.2
83.99920	0.2
84.99598	0.3
86.99325	0.4
97.01388	0.3
97.02885	0.6
97.71627	0.2
98.97556	0.6
99.04455	0.4
101.00886	11.4
102.00959	0.7
102.96875	1.9
103.00635	2.9
105.00343	0.3
113.00881	1.7
115.02425	0.6
116.98664	0.4
118.98630	0.2
119.01928	14.1
120.02008	2.1
120.97890	0.8
121.01675	4.6
121.02368	0.1
127.02396	0.7
127.03918	0.5
129.00336	0.3
129.03932	0.2
131.01924	2.9
131.05531	0.3
133.03462	0.7
136.99689	0.6
137.00713	0.2
137.02965	1.6
138.03143	0.3
139.02502	1.1
142.98627	1.1
143.01903	8.2
145.03467	2.0
147.01277	0.4
147.05028	0.2
149.06589	0.3
155.01910	1.4
157.03477	5.3
159.01540	0.3
160.99654	3.9
161.02966	17.6
162.03090	0.6
167.01886	1.0
167.99426	0.3
169.03453	0.8
173.01643	0.2
173.02992	3.6
175.04518	3.0
177.00954	0.8
177.02698	0.6
177.09666	0.2
178.01067	0.6
179.00710	17.5
179.04010	0.5
180.04184	0.7
181.03505	0.3
184.04518	0.2
184.96422	0.2
184.99680	0.8
185.01317	0.4
185.02951	7.2
187.04527	1.6
191.04031	0.9
197.03023	1.7
199.00719	0.2
199.04494	1.5
201.01073	0.2
201.02733	0.4
203.00786	3.0
203.04024	5.6
203.11172	0.3
209.03041	0.4
215.03983	2.1
217.05582	0.8
219.01968	0.4
219.03853	3.0
220.02048	0.6
221.01778	22.3
221.05229	0.9
222.01961	1.0
227.00601	2.2
227.04002	2.2
229.35049	0.2
233.05019	1.3
236.00473	0.6
245.01849	11.8
245.05067	15.5
245.12314	1.2
251.37514	0.2
261.03000	0.8
263.02884	100.0
264.03073	1.1
265.03256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35464	1.3
53.08667	1.1
55.01876	3.7
55.05502	1.5
56.05026	1.6
56.96298	1.2
56.96568	23.6
57.03440	6.0
58.99858	1.5
59.19128	1.1
61.02919	3.4
67.05505	1.5
68.05021	1.1
68.98295	1.3
69.03437	8.4
69.92089	5.3
70.06602	7.7
70.98116	1.2
70.99858	2.7
71.04997	2.4
71.95266	1.1
72.08150	2.3
72.93777	1.3
72.96043	1.7
73.02914	3.2
74.02444	17.1
77.00914	1.8
79.05494	2.9
81.03416	5.1
81.07034	3.9
82.99826	6.9
83.04987	2.5
84.04511	36.6
84.08143	4.9
84.96043	2.1
85.02905	11.9
85.06518	2.3
86.06077	4.7
86.09710	12.9
86.99332	3.5
88.07632	1.6
89.00861	1.2
90.19079	1.1
91.05497	6.2
93.07047	2.9
95.05009	1.6
97.01388	2.9
97.02888	9.6
98.20670	1.2
98.97594	27.2
99.04441	3.3
101.00890	67.1
102.00963	1.9
102.05531	1.6
103.00648	1.7
103.02427	1.5
103.05457	2.8
104.10729	5.1
105.00356	2.3
107.04961	2.6
107.08554	1.4
109.02877	3.6
109.06535	3.0
110.06025	1.1
110.97584	3.3
111.05556	1.2
112.05093	29.0
112.08714	1.6
112.99148	2.2
113.00868	10.3
113.03516	12.3
113.04762	4.8
113.05429	19.4
115.00704	2.1
115.02467	8.0
115.03943	1.3
116.07103	15.2
116.98645	8.1
117.03978	3.2
118.01151	1.3
118.08657	1.5
119.01934	100.0
120.01949	2.6
121.01613	1.9
121.06515	15.9
122.06972	2.9
122.84659	1.2
124.95509	1.4
125.00874	1.3
125.07117	2.4
126.03699	1.2
126.95346	1.5
127.02438	5.5
127.03926	4.1
128.98605	2.3
129.00336	1.5
129.03996	3.8
130.05009	24.3
131.00232	2.6
131.01915	18.6
131.05620	1.5
132.06587	12.5
133.03458	10.4
133.70169	1.2
134.99704	2.3
137.00842	1.7
137.02953	13.3
137.04596	3.9
137.05963	9.2
138.06325	1.7
139.02397	5.2
141.02232	19.3
141.03973	3.3
142.03423	1.6
142.96544	1.5
143.00150	3.0
143.01913	43.1
145.03488	21.0
146.99649	1.4
147.01384	3.9
147.03207	1.6
147.05064	3.8
149.01151	1.6
149.02959	1.7
149.96115	1.6
151.02509	1.4
153.04024	1.5
155.01907	19.8
155.06995	1.3
157.01649	1.4
157.03491	34.1
157.04761	2.1
158.03667	1.4
158.99684	5.8
159.03307	15.7
159.05045	23.0
160.97604	1.3
161.02969	85.9
162.03026	1.7
163.02776	1.5
163.04515	3.2
167.01932	8.0
169.03436	5.8
170.96066	2.2
170.99699	1.9
171.05099	5.9
173.01436	1.4
173.02979	28.0
173.06587	2.0
175.00923	1.3
175.03032	1.2
175.04532	21.2
177.00780	1.7
177.04321	3.2
177.06088	6.3
178.03851	1.9
178.55670	2.3
179.01959	3.9
179.03932	7.0
182.08107	11.5
183.05000	2.5
184.04510	2.8
185.01324	6.1
185.02972	55.0
185.06577	1.5
187.02881	1.0
187.04498	23.3
188.97110	4.7
189.06056	3.2
191.04041	7.4
191.05536	1.7
193.00146	1.5
196.05011	1.3
197.02983	14.1
199.02782	2.0
199.04538	9.4
201.06105	3.1
202.98695	3.1
203.02263	22.7
203.04045	44.2
205.05617	2.9
206.98102	2.9
209.02977	1.5
210.04549	1.5
215.04015	13.6
215.05820	1.8
217.01736	1.6
217.05605	10.4
219.07138	1.8
220.99789	1.6
221.03329	11.5
221.05132	8.0
221.93298	1.4
222.05989	1.3
223.06592	4.3
224.06343	2.1
227.02124	1.9
227.04054	12.2
227.07593	2.2
227.10257	2.1
228.08620	3.1
233.05057	5.4
233.07083	1.8
235.01402	1.3
245.05096	97.5
245.07758	3.1
245.11586	12.9
245.14729	6.8
246.05278	1.5
263.03061	3.2
263.06155	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	245.1021
Annotation	Tensyuic acid A
Peak:m/z	Relative Intensity
52.62003	0.7
53.03931	2.1
55.01854	3.4
55.05511	4.2
55.93502	0.8
56.05016	0.7
56.96564	6.7
57.03438	8.1
61.02905	0.8
65.03612	1.1
65.03942	15.7
67.05495	4.0
68.99789	4.4
69.03428	6.1
69.07077	0.9
69.52133	0.8
70.03057	2.5
70.06578	1.9
71.04993	1.2
72.08140	4.1
72.93771	1.8
75.04470	3.2
78.04696	0.8
79.05504	5.1
81.03407	3.0
81.07043	3.1
82.04207	1.2
83.04984	9.3
84.04505	1.1
84.08144	6.9
84.96045	1.1
85.02910	5.5
86.09721	1.4
87.04462	2.1
89.03927	3.8
90.94816	3.4
91.05486	12.2
93.03405	6.8
93.07047	5.1
94.04161	2.2
95.04973	14.3
95.08603	1.7
97.02903	4.7
97.06515	2.3
98.01347	0.8
98.03667	1.4
98.97604	11.0
99.04420	1.2
100.07631	1.8
100.11266	7.2
101.00902	1.3
103.05448	4.9
105.04469	1.3
105.07018	1.9
106.04104	1.0
107.04979	3.9
107.08581	1.5
108.02043	1.1
109.02876	2.4
109.06516	3.8
110.03629	2.3
111.04447	42.0
112.22026	0.7
112.99094	0.8
113.03479	1.1
114.07796	0.7
115.03944	1.6
116.98608	4.0
117.03407	7.1
117.06999	1.0
119.01917	1.6
119.04960	1.6
119.08492	1.0
119.62650	0.8
120.05726	0.8
120.51746	0.8
121.02888	1.5
121.03979	3.3
121.06509	14.1
123.04446	12.3
123.08073	1.6
124.99115	6.6
125.02335	1.0
125.05962	2.7
126.03139	1.6
126.04073	0.8
127.03906	2.6
128.02260	1.0
128.06226	2.0
128.98659	1.0
129.07001	1.5
129.10287	1.7
130.08646	1.1
131.00172	0.7
131.04939	1.8
133.02843	1.3
133.06445	1.2
134.03635	1.7
135.04401	3.2
135.08090	1.4
137.02313	0.9
137.05975	9.3
138.03123	1.0
139.03911	100.0
140.04663	3.4
141.01805	2.8
141.05435	2.7
142.02650	2.7
143.00157	10.3
143.08548	1.2
145.02832	13.6
145.06488	0.9
146.99670	0.9
147.04396	1.6
148.05188	3.5
149.01170	0.9
149.02380	0.8
149.05975	11.9
149.96117	2.9
151.03874	2.1
153.05453	2.3
153.06793	1.2
154.02614	8.8
154.06244	2.2
155.03386	3.2
155.07043	1.9
156.04182	19.9
157.06520	2.7
158.99617	2.0
159.05515	0.9
161.01225	5.6
161.02861	1.2
161.06041	1.1
162.03073	1.1
163.03886	2.9
165.05478	15.7
166.06241	1.4
167.03400	2.0
167.07051	4.1
167.97191	3.1
169.04974	24.6
170.05746	13.2
171.06544	41.4
171.07977	2.1
172.97699	3.0
175.07549	2.3
176.04730	1.0
177.00728	2.1
177.05479	37.6
181.04938	0.9
181.06453	1.4
182.05754	3.3
183.06511	7.1
184.05188	1.4
185.01196	4.8
185.05981	1.9
187.04425	4.4
189.00673	1.9
189.09171	1.6
190.98712	1.0
193.95433	0.9
194.05777	5.5
195.06535	24.0
197.08066	10.5
199.04594	0.8
199.07526	3.3
199.14989	0.8
203.02242	2.8
203.07077	1.2
209.06087	1.3
209.08098	25.0
213.04152	1.7
213.07629	10.7
217.08743	1.4
219.01762	1.0
222.04605	0.9
224.06252	3.2
227.07014	2.0
227.09163	3.2
231.01665	0.8
233.06876	1.5
233.57007	0.9
245.04817	2.4
245.08055	5.7
245.10213	60.4
245.15298	2.3
245.18556	5.3
249.02817	2.2
267.03876	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	245.1173
Annotation	Echinolactone A
Peak:m/z	Relative Intensity
52.83201	0.4
53.03940	0.5
55.01883	0.7
55.05507	0.9
56.96569	1.7
65.03917	0.6
67.05501	1.6
69.03428	0.8
69.07075	0.7
69.31241	2.0
69.31664	2.1
71.04984	0.9
72.08162	1.2
77.01595	0.6
79.05490	1.5
80.05022	1.3
81.03436	1.1
81.07061	1.6
83.04985	0.7
91.05475	2.6
93.07060	1.6
95.04968	0.9
95.08628	1.3
97.07684	0.6
98.21484	1.0
98.97591	2.4
103.05499	1.0
105.07021	2.8
107.08627	1.3
109.06516	1.1
113.03509	0.8
113.05985	0.6
114.03780	1.0
114.10293	3.0
115.03941	0.7
115.05474	1.2
116.98631	1.1
119.08604	2.1
121.06514	4.7
121.10157	1.3
122.06851	1.1
125.09652	0.5
128.06235	3.3
129.07010	11.9
131.00204	0.6
131.08585	1.4
133.10141	0.9
134.99733	0.5
137.06075	0.8
140.22620	0.5
141.07004	6.2
142.03241	6.4
142.07787	40.9
143.08582	4.3
145.06487	1.8
145.10109	1.0
147.11670	1.0
149.13252	0.5
152.06273	2.2
152.75262	0.5
153.07007	3.0
154.07767	8.0
155.08572	1.1
157.06465	1.5
157.10139	29.5
159.08170	0.5
159.11630	0.6
161.13249	0.9
165.07001	0.8
167.08611	4.1
169.06416	0.9
169.07704	1.1
169.10179	4.8
170.02725	1.3
170.07303	9.1
171.08040	2.8
171.11678	0.5
175.07460	0.5
175.14758	0.7
185.09627	69.6
186.10257	0.6
195.08073	1.4
198.06738	5.1
199.14871	0.9
203.10757	0.5
213.09114	100.0
217.12338	0.9
227.10745	0.5
227.17996	0.8
231.10124	1.3
245.06067	0.6
245.08044	1.0
245.11726	19.7
245.15518	1.4
245.19016	2.5
245.22688	1.7
245.26663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05515	0.3
56.96564	0.3
69.03429	0.5
69.07076	0.3
69.34184	2.2
72.08147	1.2
79.05472	0.2
83.04983	0.3
85.02901	0.3
86.09706	100.0
91.05454	0.3
92.30044	0.2
93.07050	0.4
98.97584	0.5
107.08563	0.4
107.88161	0.2
121.06462	1.3
124.99161	0.3
132.10199	4.4
142.03241	1.0
143.00125	0.5
145.02856	0.8
177.05405	1.5
184.91016	0.2
191.32732	0.2
199.18071	1.9
208.34543	0.2
217.08665	0.3
245.08032	0.4
245.11841	0.5
245.18605	7.7
254.10092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.4
57.07066	2.2
61.48382	1.0
65.03925	1.3
67.05507	12.2
69.06727	1.1
69.07076	15.6
69.45346	7.2
69.63512	0.9
69.78009	0.9
74.51598	1.1
79.05497	9.0
81.06581	1.9
81.07060	31.2
82.65719	0.8
83.08619	6.2
88.76669	1.0
91.05486	7.4
92.98038	0.8
93.07049	34.3
95.08613	39.8
95.81363	0.9
97.10183	4.3
98.21543	1.8
105.07026	12.7
106.07766	0.9
107.08598	31.2
109.09461	1.7
109.10165	25.8
111.11701	1.3
119.08586	15.1
121.10150	36.3
121.11030	1.7
123.08125	1.1
123.11715	18.3
125.05325	1.2
133.10123	9.9
135.11707	15.2
137.13272	9.0
147.11681	8.1
149.13264	100.0
151.14804	1.7
161.13251	10.2
163.14807	8.2
175.14830	33.1
177.16457	1.0
189.16396	16.9
203.17950	2.3
217.19582	1.0
235.09517	0.9
245.22661	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	246.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01870	0.8
55.05504	1.6
56.05033	0.6
56.65555	0.4
56.96568	3.0
57.03437	1.4
57.31175	0.4
58.99866	1.4
60.04518	0.9
60.05658	1.0
61.02922	1.2
61.99286	0.4
67.05508	0.4
68.98282	0.5
69.03436	3.6
69.07075	4.4
69.53866	1.3
69.54283	1.2
70.02953	0.5
70.03802	0.6
70.06599	7.3
70.99853	1.3
71.04988	1.4
72.08157	13.5
73.02917	1.4
74.02439	2.1
77.00911	1.0
79.05508	0.8
81.03417	1.8
81.04534	0.4
81.07059	0.6
82.02913	0.4
82.99828	4.3
83.06114	0.9
84.04512	4.6
84.08147	6.8
84.96020	0.5
85.01431	0.5
85.02911	6.5
86.09710	50.9
87.04456	0.7
87.05597	4.4
88.03963	0.6
88.07612	0.5
89.00893	0.9
91.05474	1.2
93.07033	0.6
95.08587	0.4
97.01415	1.2
97.02898	3.5
98.20766	0.9
98.97583	5.5
99.04467	0.8
100.02487	0.5
100.07632	0.6
101.00886	45.1
102.00977	1.6
103.00651	0.9
103.02463	1.0
107.08644	0.7
109.02875	1.1
109.06390	0.7
110.97571	0.6
111.02055	0.7
111.04443	0.7
112.05096	1.3
112.07610	1.4
112.08703	0.6
113.00854	1.9
113.03472	0.8
114.06665	0.5
115.02423	4.6
116.03461	0.5
116.07085	3.5
116.98617	1.4
118.08643	0.9
119.01926	56.9
120.01942	2.5
121.01643	1.0
121.06493	0.7
124.02448	1.0
125.07052	0.4
127.02446	3.3
127.03909	1.3
128.98534	0.5
129.03157	0.5
129.04022	0.8
129.10255	1.9
130.05002	5.1
130.08646	2.1
130.09705	0.6
131.01912	2.9
133.03546	5.0
133.06090	18.1
134.99638	0.6
135.03069	0.4
137.02968	3.9
137.05971	0.8
139.02403	5.7
141.10216	1.1
142.03520	1.2
143.01906	14.0
143.11827	1.4
144.02014	1.3
145.01697	0.5
145.03459	10.9
146.03595	0.9
147.03113	0.8
147.07642	5.9
147.11267	2.3
151.04451	0.5
154.03893	0.5
155.01859	0.6
156.10152	0.6
157.03476	31.5
158.03603	0.6
158.99638	0.6
161.02971	12.6
161.04346	0.9
161.05859	0.5
162.03087	2.2
163.02641	0.5
163.04572	5.8
163.54604	1.2
164.04988	0.5
164.56216	0.9
165.05978	1.3
166.08652	0.7
169.03485	1.2
173.02983	0.8
174.03133	0.6
175.02945	0.8
175.04524	13.3
175.11911	1.6
176.04663	0.8
177.00626	0.9
177.04187	0.5
180.05118	1.0
181.03726	0.5
181.05580	2.9
183.11275	1.0
186.03087	1.7
187.04478	1.1
187.10738	1.0
192.54839	0.7
193.05679	0.5
195.05035	0.9
200.06139	0.6
201.05206	0.6
204.04210	0.8
205.05573	18.3
207.05090	0.5
212.09172	1.2
215.05901	0.4
222.05298	0.8
223.06638	100.0
224.06784	1.4
225.06767	0.8
228.10406	0.6
229.03201	1.0
229.11783	5.8
237.08269	0.7
239.04497	0.8
241.07693	22.0
245.58073	2.2
246.05382	3.4
246.08218	8.7
246.10736	0.7
246.13411	1.2
246.15460	5.2
246.18195	1.5
246.24165	0.5
247.04306	4.2
247.06613	0.7
265.07822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1451
Annotation	Leu-Gly-Gly
Peak:m/z	Relative Intensity
55.01873	1.0
55.05502	1.4
56.56910	0.5
56.96569	7.1
57.03423	1.4
60.05642	1.1
61.14655	0.5
67.05511	0.5
69.03452	2.5
69.07066	5.5
69.42753	3.5
69.43157	0.8
70.06582	3.8
70.98121	0.6
71.04972	0.8
72.08160	12.5
73.02913	1.7
74.02448	2.9
81.03439	1.1
81.07059	0.5
82.99841	0.7
84.04522	1.6
84.08147	8.4
84.08620	0.7
84.96037	0.5
85.02909	3.2
85.06586	0.6
86.09710	100.0
87.04489	0.5
87.05595	6.9
87.10023	0.5
88.03992	1.3
94.03484	0.4
95.05024	0.5
97.02885	2.8
98.20726	0.9
98.97582	7.5
99.04485	0.8
99.97923	0.6
100.07641	0.5
101.00890	6.4
102.00975	1.1
107.04890	0.6
110.97578	1.0
111.04446	0.5
112.05103	1.5
112.51405	0.4
112.99146	0.5
113.00895	1.1
113.03507	2.0
114.03838	0.9
114.05502	0.5
114.06686	0.5
114.09213	0.5
115.02408	1.1
116.03477	1.5
116.07100	1.1
116.98608	2.8
119.01931	8.2
119.04914	0.6
120.02058	1.6
125.07127	1.2
126.07478	0.8
127.02456	0.7
127.03992	1.0
128.07106	0.5
128.98659	1.1
129.10262	1.7
130.08659	1.1
131.00166	0.8
131.01907	1.5
132.02036	0.8
133.03447	1.7
133.06099	36.7
137.06007	1.5
139.02467	1.0
143.01877	2.4
143.11765	4.9
144.02087	1.6
145.03494	1.8
146.03664	0.6
146.99654	0.9
147.11293	1.0
154.03806	0.7
156.03394	1.3
156.10104	1.0
157.03487	4.0
158.03650	1.0
158.99715	1.2
159.03223	0.6
159.04852	0.6
161.02975	2.9
162.03091	2.6
162.99149	0.7
163.02800	0.9
163.04420	1.1
163.54616	1.0
164.05190	0.6
164.55363	0.8
168.03363	0.5
171.11299	2.4
173.03000	0.9
174.03032	0.7
175.04549	1.7
175.11949	1.1
176.04735	1.2
177.00787	0.6
182.06381	0.6
185.02994	0.5
186.03101	1.2
186.04436	1.6
187.04617	0.6
189.97411	0.8
191.03864	0.5
192.54778	0.6
193.00162	0.5
196.11694	1.4
204.05641	0.8
205.00183	0.6
205.05688	1.6
208.04889	0.7
223.01242	0.9
223.06621	8.7
228.07196	0.6
228.10240	0.7
228.12323	1.1
228.14282	0.9
229.11816	9.1
229.13907	0.6
234.50864	0.4
241.07860	2.2
245.57898	1.8
246.05299	5.0
246.08180	1.5
246.13708	5.7
246.18259	1.0
264.06439	1.1
266.08771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.3
57.07080	6.1
58.06600	0.6
69.81343	0.8
69.81742	0.5
70.06596	10.0
71.08625	1.4
74.06128	0.2
76.43501	0.3
77.23368	0.2
85.10173	1.2
88.07635	14.4
93.07069	0.3
99.22825	0.3
100.10969	0.2
102.09193	3.9
106.08680	7.7
106.09402	0.4
121.06519	1.8
125.39664	0.2
173.64021	0.3
184.20610	0.9
202.21626	0.7
228.23244	6.4
246.24298	100.0
247.24408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46231	5.2
56.96557	11.6
57.03442	6.8
68.50911	6.3
70.37703	19.9
70.98100	6.1
77.09075	6.0
82.99845	14.7
83.90904	5.6
86.09712	9.3
98.97575	11.8
99.97665	5.0
101.00896	100.0
101.79078	5.8
102.01004	7.1
103.00648	8.3
106.22943	5.5
112.40625	5.5
112.99149	6.3
113.00874	17.5
113.03476	8.7
115.02361	8.8
116.98592	7.7
119.01923	88.5
121.01664	8.9
131.01904	46.0
133.03499	16.0
143.01904	26.5
155.01909	13.5
157.03470	23.5
161.02989	41.5
163.02696	13.2
167.01848	7.4
169.03386	7.1
173.02933	30.6
175.04543	18.3
185.03001	14.5
187.00891	16.4
187.02736	7.0
187.04535	21.1
191.04051	13.9
205.01852	8.6
205.05653	14.4
215.00392	18.7
221.37976	5.5
224.06816	12.3
229.03497	6.8
229.05569	7.6
247.02199	7.7
247.04411	22.4
247.06712	44.2
247.10262	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	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30763	0.7
60.62411	0.6
63.76693	0.7
69.64816	4.2
72.08164	5.8
85.41518	0.7
86.09689	1.3
100.77222	0.9
101.00866	0.9
103.87427	0.7
119.01933	1.1
143.01721	0.8
148.06062	1.2
157.03482	0.8
167.03181	1.6
169.01082	0.9
181.88153	0.7
225.49695	0.6
229.03194	27.0
247.04263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	Hibiscoquinone B
Peak:m/z	Relative Intensity
55.01869	3.0
55.05499	1.5
56.05019	0.8
56.96543	0.9
57.07078	1.1
67.05488	2.1
69.03431	100.0
71.57259	0.9
72.08147	2.0
73.02883	1.0
77.03910	1.1
79.05499	1.7
81.03413	4.4
81.07046	1.4
83.04971	2.3
85.02889	3.2
85.97113	0.7
86.09707	4.9
91.05484	7.0
93.07024	1.9
95.04957	2.6
95.08566	0.9
97.02860	1.5
98.97570	1.3
99.04438	1.2
100.28629	0.7
102.04685	1.2
103.05470	19.2
105.07047	8.8
105.50536	0.7
107.04937	1.0
109.02876	1.1
109.06499	1.1
110.97581	3.5
111.04430	2.6
115.05448	5.4
116.06284	1.0
116.07046	1.0
116.98606	1.2
117.07044	3.9
119.04928	3.4
119.08569	1.5
120.08086	2.2
121.06525	8.1
123.04424	8.3
127.03929	1.0
128.06232	4.7
128.98618	2.1
129.07008	6.6
130.07780	0.9
131.04929	28.8
131.08603	3.8
133.06494	7.3
133.62688	0.8
134.08101	2.0
135.04398	1.7
137.05984	6.6
141.07004	7.4
142.07761	1.4
143.04912	2.0
143.08546	2.0
144.05696	2.4
145.02870	1.4
145.06485	5.4
145.10107	3.2
147.04416	5.9
147.08029	1.1
149.05988	42.6
150.06770	0.8
151.07541	8.9
153.06964	2.7
154.07765	1.5
155.06039	1.2
155.07364	1.2
155.08566	10.6
157.06477	6.8
158.07239	3.2
159.08044	6.6
160.05185	2.4
161.05989	13.0
163.03888	4.4
163.07582	1.7
165.05493	45.9
165.06906	3.0
168.05746	3.0
169.06474	4.1
171.08012	5.6
172.08975	0.9
173.06004	5.0
173.09645	5.9
174.06798	1.5
175.04025	0.8
175.07564	8.2
177.05460	2.6
177.09117	3.1
179.06993	4.0
183.08032	9.2
185.05980	3.4
186.06807	1.3
187.07538	15.9
188.08362	0.8
189.05492	21.4
189.09077	4.6
190.06256	1.6
191.06999	1.1
191.08749	0.9
191.10651	3.2
199.07492	1.4
201.05437	2.0
201.09102	16.7
202.17072	1.1
203.06990	4.0
203.10654	1.8
204.07819	1.6
205.04958	1.5
205.08524	4.8
211.07556	8.2
214.02705	1.7
214.06073	0.8
215.05605	4.2
217.01257	0.9
217.08675	2.0
219.08177	1.5
219.10126	12.3
224.06229	2.5
229.08600	32.4
229.12160	1.5
232.03673	2.2
247.05855	3.4
247.09676	82.1
247.22961	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0967
Annotation	Phaeochromycin E
Peak:m/z	Relative Intensity
50.19630	1.4
53.03935	2.8
55.01878	16.0
55.05502	1.7
61.02931	3.3
67.05489	4.1
68.99782	2.2
69.03429	4.3
70.99856	3.6
73.02898	1.9
79.05489	5.0
81.03426	45.8
81.07056	5.1
85.02899	7.2
86.09662	1.7
91.05484	16.7
91.16076	1.4
93.07037	5.1
95.04964	2.9
95.08610	11.3
103.05495	5.1
105.07036	19.9
106.21545	1.5
107.04961	6.1
109.02876	2.6
109.06506	2.4
115.05458	16.0
116.06271	3.1
117.07036	14.1
119.08585	4.4
121.06508	24.7
128.06236	45.1
129.07027	33.8
129.07982	1.2
130.07776	1.7
130.86824	1.7
131.04926	5.9
131.08588	15.5
133.06493	24.2
141.07001	25.3
143.08559	11.7
144.05716	12.4
145.06497	19.9
145.10107	4.3
147.04395	1.9
147.08044	7.7
151.07550	100.0
152.06224	2.1
153.06990	13.3
154.07785	2.5
155.06042	5.7
155.08559	24.2
157.06506	78.8
158.07281	21.2
159.08064	46.8
161.05972	3.1
165.05649	3.0
165.07021	12.1
168.04463	1.5
168.05693	8.7
169.06482	15.5
169.07701	2.5
170.07304	1.7
171.08061	59.7
171.09537	3.3
172.08847	2.9
173.06013	5.7
173.09604	8.8
174.06744	1.6
175.07561	35.6
177.09108	2.3
179.07042	56.3
182.07317	2.7
183.08075	35.6
185.05992	28.1
186.06725	1.9
187.07550	30.7
189.09116	35.5
193.06508	1.9
199.07527	5.5
200.08357	1.7
201.09129	60.1
203.07004	11.1
210.55241	1.5
211.07573	21.4
217.08568	12.7
229.08589	71.8
247.09694	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	247.0967
Annotation	Phaeochromycin E
Peak:m/z	Relative Intensity
51.68616	0.7
51.85289	0.6
52.36967	0.7
55.01872	4.0
60.88537	0.7
68.99807	3.9
69.03383	0.8
69.77848	3.0
71.01323	1.8
73.78998	0.7
79.05479	1.1
81.03365	1.1
83.04951	0.8
85.02878	0.9
91.05491	9.4
93.07021	0.8
96.68799	0.7
97.02848	2.0
103.05416	1.9
105.07048	5.6
107.04884	3.0
110.03598	1.0
115.05472	9.1
116.06196	1.1
117.07014	6.4
118.59700	0.8
119.08519	1.4
120.05672	1.7
120.46971	0.7
121.06474	2.4
123.08001	0.9
128.06215	8.4
129.07004	22.5
130.07762	1.6
131.04950	4.7
131.08580	9.6
132.05685	1.5
133.06497	3.8
133.10106	1.1
141.07008	7.1
143.08525	2.1
144.05705	15.8
145.06493	6.4
145.10112	2.1
147.04446	3.9
147.08034	3.4
151.07516	1.5
153.07027	8.3
154.07732	2.8
155.05983	2.0
155.08568	13.8
157.06503	33.2
158.07280	27.4
159.08064	26.3
159.09398	1.1
165.05455	4.5
165.06966	11.0
168.05711	4.1
169.06442	2.6
169.07625	1.1
171.08034	4.6
173.05923	1.6
173.09596	4.0
175.07559	60.7
181.06383	1.2
183.08054	22.8
185.05991	27.5
186.06796	1.2
187.07552	10.6
189.09096	3.3
193.06419	1.2
199.07535	2.3
201.09129	22.1
203.07028	23.8
211.07568	23.4
217.08595	2.8
219.10049	0.8
229.08609	100.0
247.09686	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03926	3.9
55.05500	3.5
56.17681	1.3
57.07049	1.2
65.03931	4.5
67.05482	3.9
69.03133	1.4
69.03437	16.1
69.19203	4.5
69.19622	8.4
74.24996	1.3
77.03823	1.2
79.05506	8.5
79.38725	1.5
81.07060	7.6
83.04984	20.7
89.20135	1.2
91.05476	14.2
93.03384	3.0
93.07065	12.1
95.04954	5.5
97.02904	6.1
98.21484	4.0
105.07035	12.9
107.04988	1.4
107.07954	1.7
107.08600	15.9
107.37244	1.3
109.02880	21.4
109.06516	14.7
109.10149	2.7
111.04440	4.7
115.05447	3.1
117.07043	8.9
119.08586	20.1
120.30540	1.3
121.02926	2.4
121.06508	18.4
121.10121	5.8
122.07330	1.3
123.08070	1.5
128.06212	2.8
129.07019	7.9
130.07741	1.8
131.08574	17.5
133.06477	1.5
133.10141	10.8
134.37703	1.3
135.07101	2.2
135.08057	25.5
137.05962	5.8
137.09621	2.4
141.07008	1.4
142.07713	1.8
143.08592	8.9
144.09328	8.4
145.06528	6.8
145.10156	10.1
147.08067	2.9
149.06082	1.5
149.09636	21.5
150.10339	3.0
151.11128	3.4
153.06927	2.7
155.08539	5.2
157.06448	2.3
157.10168	2.1
158.07294	1.9
158.10907	12.9
159.08080	9.7
159.11700	28.5
160.08849	1.6
161.09598	4.2
163.07549	19.0
163.11182	2.3
165.09209	1.7
168.09352	3.5
169.10019	1.9
170.10904	3.5
171.08046	6.4
172.08847	13.1
173.08258	2.2
173.09639	22.8
173.13268	40.9
183.11687	8.6
185.13214	2.9
186.10414	20.2
187.11194	100.0
188.11501	1.7
189.09138	2.8
191.07033	23.9
191.08733	1.4
193.10052	1.3
196.08841	6.0
199.07613	2.2
201.12749	67.1
205.12262	8.4
211.11169	10.0
214.09839	1.5
219.13783	6.0
229.12251	66.7
247.13298	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
50.66137	1.0
51.71927	1.0
53.03944	4.8
55.01861	1.6
55.05502	3.9
59.15815	1.0
65.03941	4.3
67.05492	4.0
68.11971	0.9
68.99800	1.3
69.03074	1.3
69.03435	20.0
70.05493	0.9
70.33472	3.3
77.03970	0.9
79.05490	7.8
81.07062	8.4
83.04982	17.0
83.73572	1.0
91.05489	15.0
93.03397	3.0
93.07051	12.4
95.04974	6.6
95.08613	1.6
97.02881	6.7
98.21375	1.1
101.43793	1.0
105.04526	1.3
105.07041	10.5
107.04953	1.5
107.08600	12.4
109.02886	19.9
109.06522	14.9
109.10154	2.4
111.04437	4.1
111.08080	1.9
115.05455	4.1
116.06185	1.2
117.07029	8.0
119.08591	16.5
121.02879	3.0
121.06510	20.1
121.10159	7.7
123.08091	2.4
125.05989	1.2
128.06230	4.1
129.07013	6.6
130.07773	1.7
131.04909	1.6
131.08569	15.5
132.05635	1.6
133.06561	1.2
133.10138	11.8
135.04373	1.4
135.08060	28.7
137.05994	6.6
137.06873	1.2
137.09621	2.7
139.03911	1.5
139.22496	0.9
141.07016	2.7
142.07764	2.5
143.08553	10.9
144.05670	0.9
144.09366	11.6
145.06487	9.2
145.10136	12.4
147.08066	4.6
149.09631	20.5
150.10387	4.2
151.11200	3.8
153.05568	1.2
153.06998	2.3
153.09076	2.7
154.07768	1.4
155.08597	5.3
157.06459	1.7
157.10123	4.2
158.07298	2.2
158.10901	14.7
159.08075	11.1
159.11705	29.2
159.47382	0.9
160.08795	2.3
161.09631	4.0
163.07553	19.4
163.11200	2.2
165.09087	2.4
168.09335	4.8
169.10107	2.7
170.10909	5.3
171.08052	6.6
172.08852	15.6
173.06111	1.4
173.09650	27.0
173.13271	40.3
175.07495	1.7
175.14723	1.0
177.09105	1.0
181.06514	2.4
183.11729	9.0
185.09676	2.1
185.13257	2.7
186.10406	22.3
187.07587	3.6
187.11195	100.0
188.11569	1.7
189.05513	1.1
189.09128	2.7
191.07042	25.0
193.10013	1.3
196.08890	4.3
199.07541	1.8
201.09171	2.6
201.12755	67.6
203.14345	1.3
205.12253	8.5
211.11211	10.7
214.09880	4.2
219.13794	5.6
229.08656	2.2
229.12241	72.7
247.06049	1.7
247.09810	3.8
247.13318	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	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.58038	0.5
53.54708	0.6
54.14312	0.6
55.05519	3.4
56.96535	2.5
57.07052	0.7
61.36360	0.6
67.05513	3.9
69.03410	1.2
69.07076	3.9
70.94077	1.6
71.04947	0.9
79.05488	3.7
81.07063	6.2
83.04970	1.1
83.08591	1.7
84.96043	0.7
85.06499	1.0
87.77763	0.7
91.05480	4.1
93.07051	9.3
95.04942	1.1
95.08604	6.8
98.98503	0.6
99.04481	0.7
104.99257	1.3
105.05968	0.7
105.07040	10.5
107.04934	0.8
107.08588	10.7
109.02852	0.7
109.06472	1.3
109.10154	3.9
116.32050	0.6
117.07009	3.5
119.08588	17.9
121.06514	1.0
121.10160	5.0
123.11661	1.1
125.05926	0.6
129.06952	0.8
130.07814	0.9
131.08578	11.6
133.10139	12.1
135.08043	1.0
135.11606	1.0
137.05930	4.2
137.13213	0.7
141.06911	0.9
143.08557	1.2
144.09354	1.3
145.06496	0.7
145.10121	22.1
147.11671	3.6
149.05934	0.7
149.09631	0.8
149.13312	0.7
151.07497	2.2
157.10089	1.2
158.10878	0.8
159.08063	1.3
159.10458	0.9
159.11690	14.0
161.13223	4.4
163.07477	2.4
165.09102	0.8
171.11687	1.7
173.09660	2.1
173.13261	6.2
175.11208	0.8
175.14740	1.0
177.09119	2.5
179.10628	0.9
182.60233	0.9
186.14050	6.8
187.11191	1.9
191.10724	1.2
191.60907	0.8
201.00671	1.5
201.09148	1.5
201.16389	100.0
203.17992	4.5
211.14835	0.8
215.09647	1.1
219.17458	3.7
229.08588	1.1
229.12303	1.4
229.15974	4.1
229.19394	1.0
247.05890	1.3
247.09727	1.9
247.13069	1.5
247.16968	29.1
247.20720	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.54278	1.4
52.45356	1.1
53.03946	1.4
55.05503	5.1
55.97326	1.4
56.96556	3.1
57.07066	2.6
67.05501	8.6
69.03422	2.1
69.07072	8.2
69.77365	3.4
69.77778	3.7
70.95901	1.1
71.04951	1.8
79.05500	8.4
81.03398	1.5
81.07059	13.7
81.25011	1.3
83.04952	1.5
83.08617	3.5
91.05494	12.4
93.07048	19.6
95.04950	2.1
95.08141	1.3
95.08621	16.5
97.06546	1.5
97.10159	1.4
104.99263	4.3
105.07034	21.1
107.04908	1.5
107.08598	23.2
109.02905	1.4
109.06519	2.8
109.10165	8.0
110.26734	1.1
111.08138	1.2
115.05412	1.9
117.07011	6.8
119.08591	27.2
121.06530	3.0
121.10155	13.1
123.11671	2.3
125.05923	1.3
129.06976	2.6
131.08583	19.4
133.10146	28.5
135.08098	2.0
135.11655	4.9
137.05940	3.0
139.07458	2.0
143.08620	2.3
144.02711	1.3
145.06464	2.2
145.10130	36.3
147.11703	7.4
149.05910	2.2
149.09557	3.6
149.13202	3.4
149.66374	1.4
151.07581	3.6
155.08519	1.6
157.10143	3.1
158.10913	2.0
159.08046	3.8
159.11713	29.6
161.09619	2.4
161.13280	6.0
163.07553	3.2
163.11229	1.7
163.14819	1.4
165.09105	1.8
171.11664	2.9
173.09616	4.5
173.13257	13.2
175.14714	3.5
177.09125	14.3
179.10678	2.3
186.14038	4.2
187.11169	5.4
187.14822	3.0
191.10634	3.0
201.00699	3.9
201.09219	1.6
201.16389	100.0
203.17934	7.3
205.15779	1.4
211.14920	1.4
219.17430	3.9
222.67247	1.4
226.89032	1.2
229.08432	1.7
229.12308	2.9
229.15913	9.9
229.19525	4.6
238.36606	1.3
247.09669	4.1
247.13345	3.7
247.16931	48.3
247.20575	15.0
247.24287	2.4
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
55.05514	12.5
56.88186	1.1
56.96558	3.1
57.07072	3.7
67.05513	8.4
69.03429	1.4
69.07070	7.0
69.92191	5.7
71.75355	1.5
79.05496	7.4
81.07065	9.6
83.08617	7.2
85.06548	1.6
91.05481	17.3
93.07050	25.1
95.08616	23.4
97.02871	1.3
97.10176	2.2
97.21974	1.2
98.21523	1.4
99.04465	1.8
103.05475	1.0
103.26436	1.1
104.99256	7.7
105.07036	32.8
107.08607	29.2
108.73770	1.0
109.06537	2.1
109.10143	9.9
116.06331	1.7
117.07034	8.2
119.08590	54.3
119.09454	2.7
121.10158	12.5
123.08047	1.5
123.11700	1.7
125.09615	1.4
129.06940	1.3
130.07823	2.0
131.08575	35.0
133.10139	74.4
135.08066	3.6
135.11661	2.3
137.05930	1.4
139.07603	3.2
142.95338	1.3
143.08572	3.4
144.09293	2.1
145.06525	1.8
145.10133	40.9
145.11292	2.0
147.11685	10.7
147.40289	1.3
149.06021	2.0
149.09641	5.4
149.13240	1.5
151.07567	4.8
153.09087	2.2
157.10129	3.5
158.10904	1.6
159.08096	6.4
159.11705	43.9
161.13321	9.4
163.07552	10.7
163.11131	1.5
165.09099	4.2
171.11641	3.1
172.12451	3.2
173.09622	4.5
173.13269	18.8
175.14810	3.5
177.09119	49.4
179.10706	2.1
186.14032	1.9
187.11157	3.9
187.14801	5.1
191.10709	5.9
199.14819	1.2
201.00740	2.1
201.16399	100.0
202.16653	1.1
203.17981	12.4
205.12326	1.1
219.17409	3.8
229.15897	18.8
229.19510	2.3
247.05942	2.2
247.13161	2.0
247.16971	34.8
247.20673	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05514	5.1
55.41133	0.8
56.58747	0.9
56.96548	1.1
57.07075	1.8
58.11814	0.9
58.40969	0.7
60.68866	0.9
64.17418	0.8
67.05499	4.4
68.04974	0.9
69.03424	1.6
69.07070	8.0
71.04993	1.1
71.57518	0.8
71.57983	1.2
79.05491	5.2
81.07067	8.9
83.04974	1.4
83.08610	3.9
85.06515	1.0
89.79864	0.9
91.05484	7.2
93.07044	12.7
95.04958	6.6
95.08602	11.4
97.06551	1.1
105.07028	12.4
107.04923	0.9
107.08601	13.2
109.06520	3.1
109.10172	6.2
111.04426	2.1
111.08066	1.6
117.07014	3.1
119.08582	17.1
121.06522	2.3
121.10144	6.2
123.08085	1.5
123.11685	1.5
127.03864	1.0
129.07010	1.4
130.07814	1.1
131.08563	15.3
133.10147	14.2
135.08032	2.0
135.11716	3.3
137.05972	1.0
137.09619	1.6
139.07539	1.2
143.08554	2.1
144.44571	0.9
145.06438	1.4
145.10130	28.5
147.08002	1.2
147.11655	3.8
149.06085	1.0
149.09633	3.1
151.07516	2.3
153.74007	0.9
157.10130	1.7
159.08112	4.8
159.11699	17.9
159.12997	1.1
161.13242	6.3
163.07510	2.5
163.11217	1.5
171.11667	1.6
173.09589	2.9
173.13257	7.2
177.09108	5.8
177.12663	0.9
179.10681	1.2
186.14055	4.8
187.11209	1.6
187.14899	2.7
191.10664	4.5
191.14294	1.2
201.00752	1.0
201.16394	100.0
203.17918	4.0
205.15891	2.3
219.17458	4.7
229.08543	1.4
229.15807	5.5
229.19548	2.2
247.16951	80.2
247.20863	3.1
248.73654	1.0
264.99146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.25035	0.7
53.03941	1.3
55.05514	8.5
56.96575	0.8
57.07063	2.5
59.05016	0.9
67.02814	0.7
67.05511	5.5
69.03422	1.6
69.07072	5.5
70.86661	1.8
71.08602	0.8
79.05499	5.2
81.07070	7.4
83.04962	0.9
83.08624	4.8
83.72125	0.7
84.97672	0.7
91.05479	12.2
93.07051	17.9
95.04939	0.8
95.08059	1.4
95.08615	17.0
97.10154	1.8
99.04438	0.9
103.05478	1.7
103.32190	0.7
104.99257	3.1
105.07032	25.2
107.08600	23.1
109.06533	1.1
109.10147	7.3
113.12359	0.7
115.05465	0.9
116.06250	1.5
117.07043	5.7
118.07749	0.8
119.08594	36.5
121.06519	0.7
121.10146	8.3
123.11742	1.2
125.09666	0.7
129.06966	1.5
130.07809	1.2
131.04929	0.9
131.07579	1.3
131.08580	28.8
133.10136	56.2
135.04497	1.0
135.08031	2.0
137.05954	1.0
137.13255	1.2
139.07500	2.2
143.08568	1.3
144.09322	1.7
145.06476	1.1
145.10132	34.0
145.11295	1.7
147.11690	7.6
149.05968	2.4
149.09612	3.6
151.07573	2.8
153.09090	1.5
155.08609	0.8
155.12263	0.7
157.10144	2.7
158.10893	1.5
159.08058	4.2
159.11700	29.3
161.09669	1.1
161.13277	5.5
163.07526	7.2
165.05463	1.2
165.09109	3.4
171.11688	2.0
172.12384	1.7
173.09671	4.1
173.13266	12.7
175.07591	1.6
175.14813	2.6
177.09122	34.5
177.16330	0.9
179.10716	2.4
180.93637	0.7
185.13185	1.0
186.14067	1.9
187.11186	2.9
187.14819	1.7
191.10677	4.5
199.97121	0.9
201.16393	100.0
203.17975	10.4
211.14729	0.8
219.17351	4.2
229.15880	11.7
229.19510	1.8
247.09755	1.7
247.16957	30.7
247.24280	0.8
250.57056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.44160	0.5
53.03938	1.7
55.01859	1.0
55.05513	7.5
56.96564	1.2
57.03424	1.3
57.07077	4.3
64.62840	0.5
65.03922	0.9
67.05179	0.7
67.05510	12.7
69.03413	1.7
69.06722	1.0
69.07069	14.6
71.04970	2.2
71.57740	0.9
79.05070	0.9
79.05498	13.6
81.03421	5.5
81.07060	28.5
81.12729	0.5
83.04993	2.8
83.08610	3.7
84.96048	0.6
85.02882	0.8
85.06525	1.1
91.05477	13.6
93.07047	26.4
95.04982	3.9
95.08608	53.1
97.02876	0.6
97.06525	3.0
97.10159	4.1
99.04459	2.9
101.05981	0.7
103.05479	0.8
104.99264	1.9
105.07031	26.2
107.04938	2.2
107.08594	20.2
109.02865	1.3
109.06522	9.0
109.10154	17.1
111.04481	0.9
111.08048	1.4
111.11717	1.8
115.05421	0.6
116.06213	0.7
117.07017	8.9
119.08584	21.2
121.06512	8.2
121.10152	9.6
123.04453	1.5
123.08088	11.5
123.11729	3.8
125.05984	2.7
125.09653	0.6
127.03905	0.6
128.06227	1.0
129.07024	3.7
130.07780	1.9
131.08571	31.7
133.06456	1.3
133.10136	14.1
135.04416	1.2
135.08052	9.5
135.11700	4.6
137.05977	5.3
137.09596	5.1
137.13228	0.7
139.07556	3.1
141.06960	0.9
142.07788	0.7
143.08566	9.3
144.09357	0.9
145.06467	1.2
145.10126	38.9
147.08043	3.3
147.11685	9.4
149.05963	2.4
149.09608	7.6
149.13242	2.6
151.07556	11.0
153.09090	6.6
154.07736	0.8
155.08586	1.6
157.10197	3.3
158.10947	0.6
159.08101	5.1
159.11691	23.0
161.09636	1.9
161.13222	4.1
163.07530	4.4
163.11176	2.4
163.14897	1.3
165.09109	9.5
167.10674	2.5
169.10101	4.6
171.11719	1.9
172.12595	0.7
173.09618	6.6
173.13249	4.9
175.14821	1.6
177.09122	12.8
177.12703	0.7
177.16371	2.4
179.10634	2.7
183.11714	2.0
185.13293	5.1
187.11229	7.8
187.14822	37.8
189.12730	0.6
191.10678	15.4
196.12465	0.9
201.00696	1.1
201.12706	3.4
201.16414	9.7
203.14383	1.2
203.17982	0.7
204.11475	0.9
205.12241	9.4
205.15898	3.8
211.14804	6.2
219.17455	7.7
229.08438	0.7
229.15891	10.9
229.19521	2.0
247.16939	100.0
247.20560	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	247.1695
Annotation	(-)-Methyl asperageigerate
Peak:m/z	Relative Intensity
50.56831	0.4
53.03935	0.4
55.01859	1.2
55.05510	3.8
56.96546	0.4
57.03423	0.4
57.07076	0.8
59.04982	0.4
67.05505	2.2
69.03429	1.7
69.06732	0.4
69.07072	7.5
69.31197	3.0
69.31599	0.5
71.01347	0.4
71.04969	0.3
71.42560	0.3
79.05496	1.8
81.07056	3.2
83.04993	3.1
83.08623	2.5
85.06525	0.6
91.05474	2.1
93.07047	4.6
95.04971	7.7
95.08602	3.5
97.06524	0.4
98.21454	0.7
98.98460	1.0
104.99284	0.5
105.07036	4.1
107.04954	0.6
107.08595	6.8
109.06521	3.3
109.10154	2.4
111.04448	3.1
117.07011	1.0
119.08582	3.4
121.06510	2.8
121.10139	4.5
121.10939	0.6
123.04398	0.5
123.08048	1.0
123.11726	0.7
127.03899	0.4
129.06993	0.6
130.07756	0.5
131.08566	3.5
133.06480	0.5
133.10146	2.2
135.08058	3.8
135.11713	3.3
137.09605	1.5
143.08543	1.1
144.09331	0.5
145.06467	0.6
145.09007	0.6
145.10121	5.6
147.08028	0.7
147.11691	1.9
149.09639	4.6
149.13249	0.5
151.07585	0.4
151.11194	0.4
157.10101	0.5
159.08073	5.2
159.11705	2.5
160.08823	0.6
161.09624	0.8
161.13264	5.4
163.11171	2.8
163.14833	0.8
165.12746	1.1
169.10097	0.5
171.11649	0.4
173.02139	0.3
173.09613	1.6
173.13307	1.2
175.14946	0.4
177.09128	6.9
177.12686	0.5
177.16441	1.6
180.29886	0.3
185.13206	0.7
187.11203	0.8
187.14827	3.9
189.12782	1.1
191.10600	2.4
196.12540	0.4
201.16417	2.0
203.14261	0.8
205.15851	4.8
206.82462	0.4
219.17583	0.4
229.15898	1.6
229.19505	0.8
247.16945	100.0
248.17409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35443	3.2
50.90338	2.9
54.46346	3.3
57.25224	3.1
57.64199	3.5
61.52802	3.2
62.51561	3.4
66.91848	2.9
67.89769	3.3
70.12814	6.4
70.13226	9.2
84.04025	3.0
112.45605	3.6
136.01804	4.0
174.54729	4.3
187.66628	3.7
226.63542	3.8
249.03740	100.0
252.56660	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1126
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03942	1.4
55.01868	2.9
55.05519	2.8
56.96559	4.5
57.07070	1.2
59.05003	3.4
67.05521	8.4
69.03418	2.4
69.07076	5.7
71.04996	3.9
71.56078	1.2
72.99886	1.3
73.82053	1.6
79.05518	8.9
81.03428	1.6
81.07069	10.0
83.04995	2.6
85.02894	2.0
85.06552	2.7
86.06077	7.5
87.04480	20.5
91.05489	16.9
92.58022	1.3
93.07047	9.8
95.04966	5.8
95.08598	3.9
95.34238	1.5
97.02905	5.4
97.06556	2.1
98.97591	4.1
99.04453	6.2
103.05513	1.6
104.79538	1.3
105.03403	1.7
105.07039	35.5
107.04967	3.5
107.08620	7.5
109.02885	1.5
109.06490	3.2
109.10165	5.1
111.04460	2.7
115.05473	3.9
117.07007	10.8
118.62848	1.3
119.04948	1.5
119.08568	11.8
120.04497	1.9
121.06500	8.0
121.10161	6.1
123.08033	2.0
128.06233	20.6
129.07016	19.9
130.07809	6.4
131.08574	17.0
133.06494	3.8
133.10121	6.0
135.08107	3.2
135.11679	3.2
137.09579	1.7
141.07028	4.7
142.07790	46.2
143.08572	92.6
144.05734	1.9
144.09344	5.8
145.06480	4.2
145.10130	37.1
147.08073	3.3
147.11655	3.2
151.07539	3.2
152.06221	2.9
155.08554	2.8
157.06557	3.6
157.10143	100.0
158.99693	1.8
159.08054	5.8
159.11694	28.5
161.09637	11.8
164.07082	27.7
165.05540	1.7
165.07141	1.8
167.08594	3.9
169.06418	1.8
169.10086	2.0
170.07277	7.1
171.08061	30.2
173.09689	2.3
175.07645	2.2
175.11267	6.9
175.14807	2.6
177.00717	2.2
179.07071	1.5
185.09639	60.9
185.13193	2.9
187.07568	4.2
187.11157	7.6
189.07402	3.0
189.09122	40.0
189.12808	2.6
189.16429	1.6
194.06992	3.7
195.08029	3.5
198.06816	2.4
200.02304	1.8
201.09242	1.8
203.10681	57.7
203.14322	6.7
205.12350	1.7
213.09146	35.4
231.10197	32.6
231.13823	5.8
231.17583	1.5
237.10690	1.9
249.09218	1.3
249.11256	25.6
249.14755	23.8
249.18384	6.8
250.10771	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	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03940	5.5
55.01870	4.1
55.05500	4.3
55.13663	3.6
63.30222	3.6
65.03948	4.6
67.05497	11.7
69.03433	9.9
70.85226	9.9
71.05000	7.9
73.02911	6.3
79.05497	35.9
81.03414	4.9
81.07066	5.7
86.06073	9.5
91.05491	41.4
91.73136	2.9
93.07040	11.7
95.04975	24.6
95.08627	7.5
97.02900	10.4
97.06596	3.6
99.04462	7.9
103.05478	5.9
105.07037	57.7
107.04961	6.4
107.08601	26.2
109.06527	5.0
111.04464	4.4
115.05428	8.5
117.07024	9.1
117.41450	3.3
119.08525	8.1
121.06502	11.8
123.04409	9.0
123.08157	3.4
127.00766	3.2
128.06248	13.1
129.07016	32.5
130.07698	4.8
131.04967	4.1
131.08568	27.6
133.06503	20.4
133.10149	5.1
135.04420	3.2
137.05969	5.1
141.06958	20.2
142.07802	63.2
143.08588	15.5
144.05702	6.9
145.06512	17.3
145.10138	12.4
146.07289	4.5
147.08095	3.8
147.11688	5.6
151.07570	6.6
152.06219	6.2
153.06998	11.9
154.07793	9.1
157.05327	3.3
157.06511	13.9
157.10152	43.3
158.07295	7.3
159.04640	3.6
159.08084	33.8
159.11703	11.8
161.06075	5.0
161.09622	6.7
165.07117	3.9
167.08524	6.7
169.06458	4.0
169.10179	8.4
170.07294	15.3
171.04935	5.6
171.08093	14.6
172.08830	6.9
175.07535	4.2
185.09628	51.7
187.07564	15.0
187.11151	12.3
189.09099	19.0
195.08031	6.0
198.06856	7.5
203.07091	7.3
203.10730	7.4
204.07834	7.1
213.09111	63.2
228.06473	10.0
231.10144	9.0
231.13857	7.4
249.07561	5.0
249.11230	100.0
249.14938	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	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.57007	4.1
53.03941	4.4
55.01871	8.8
57.03437	4.8
65.03955	4.8
67.05493	14.2
68.99773	5.6
70.04147	20.4
71.04982	9.4
79.05492	59.8
81.03413	6.2
81.07049	9.3
81.55986	3.6
83.04973	6.4
83.73338	3.7
88.30293	3.7
91.05491	44.3
93.07040	12.6
95.04972	33.5
97.02883	12.6
98.20953	8.2
99.04450	14.1
103.05457	4.8
105.03374	4.9
105.06305	4.2
105.07029	74.9
107.04957	10.5
107.08588	37.0
109.06516	8.9
115.05474	7.6
117.07018	5.8
119.04927	10.3
119.08582	5.0
121.06500	18.6
123.04432	5.0
123.08090	3.7
128.06221	12.0
129.07031	34.0
129.62297	3.5
130.07722	4.9
131.04874	3.7
131.08566	14.1
133.06508	32.2
133.10094	4.3
141.06973	18.0
142.07782	95.0
143.08556	12.1
145.06493	16.8
145.10173	5.3
146.07272	6.6
151.07523	11.0
152.06216	9.6
153.06911	5.2
154.07751	11.9
157.06517	6.9
157.10143	56.6
158.07289	9.1
159.08105	23.7
159.11673	11.5
165.07101	7.2
167.08572	14.3
169.10106	8.9
170.07281	13.8
171.08099	10.4
172.08826	11.2
185.09639	87.6
187.11249	12.3
195.08032	12.9
198.06781	9.0
203.10664	10.6
206.48851	4.2
213.09108	100.0
231.10196	10.3
249.11226	4.3
269.71735	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	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.54092	3.3
50.94707	3.4
53.03961	7.0
54.86703	3.6
55.01865	5.8
55.05521	3.6
59.23751	3.7
65.03957	4.2
67.05504	11.9
69.03431	4.3
69.55136	3.3
70.76007	5.0
70.76318	5.0
71.04991	10.3
79.05502	36.4
81.07052	9.8
91.05487	31.8
91.62220	4.1
93.07040	19.1
95.04977	23.8
95.08630	5.8
97.02917	8.0
98.97585	5.2
99.04465	8.4
103.05542	3.9
105.07046	59.0
107.04951	9.1
107.08595	23.2
111.04485	4.0
115.05452	5.2
117.07018	12.3
119.04961	5.7
119.08601	6.5
121.06507	13.7
121.10117	8.3
123.04435	5.9
128.06244	15.4
129.07036	22.5
130.07809	6.5
131.04941	4.6
131.08588	19.1
133.06567	19.1
133.10184	5.5
135.04446	6.2
141.07021	12.4
142.07791	80.6
143.08588	37.6
144.09377	8.0
145.06497	15.3
145.10120	17.7
146.07307	4.6
147.08151	4.6
152.06203	4.1
154.07790	12.2
157.06499	6.1
157.10143	100.0
158.07280	6.8
159.08067	10.8
159.11707	24.7
167.08611	6.5
169.10141	8.7
170.07274	8.5
171.08083	13.8
172.08788	10.8
175.11067	3.8
185.09636	81.8
187.11230	14.8
189.09087	16.0
195.08049	4.6
198.06680	6.4
203.10690	39.0
213.09123	86.0
231.10135	18.4
231.13939	4.0
249.11194	17.3
249.14894	5.7
249.18549	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	249.1488
Annotation	Hypnophilin
Peak:m/z	Relative Intensity
53.03949	1.0
55.01872	1.0
55.05513	5.6
56.96569	1.0
57.07079	1.2
67.05503	5.9
69.03439	3.3
69.07078	11.8
70.56562	0.8
70.56907	2.4
79.05487	4.4
81.07061	11.5
83.04995	1.4
83.08634	2.8
85.02909	5.3
85.06553	1.0
91.05476	4.8
93.07048	7.4
95.05000	1.4
95.08614	14.2
98.80796	0.7
98.97598	1.1
105.07039	7.9
107.04954	0.9
107.08593	3.7
109.06537	6.3
109.10158	3.2
111.04434	3.7
113.02374	12.7
117.07021	1.7
119.04933	2.0
119.08575	5.7
121.06503	2.5
121.10152	25.5
123.04441	3.9
123.08083	8.2
129.06998	1.9
131.08583	1.5
133.06516	4.8
133.10146	4.1
134.07266	2.3
135.08035	3.3
135.11690	2.7
137.05988	7.6
137.13268	5.3
142.07753	0.9
143.08585	2.7
145.10146	3.1
147.08063	4.5
147.11766	0.9
149.06068	1.5
149.09564	0.8
151.07556	8.1
157.10138	3.1
161.05998	13.3
161.09604	3.0
161.13252	3.3
162.06786	7.1
163.07567	3.6
170.10945	1.3
171.08081	0.9
171.11722	1.5
173.09674	2.3
174.06758	1.2
175.07578	15.4
179.07047	58.2
185.13228	3.6
188.11893	0.9
189.09109	5.4
189.12762	4.3
193.08618	7.4
195.11722	1.9
198.10458	0.9
203.14349	4.0
213.12772	6.7
221.12976	0.7
231.13812	92.9
236.29944	0.7
249.14870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05510	15.6
57.07066	4.3
59.04986	3.2
67.05500	9.0
69.07061	7.9
69.57122	1.0
71.08618	1.4
71.18992	1.1
71.19321	1.6
71.36032	0.9
79.05485	5.6
81.07055	13.1
83.08638	6.4
91.05473	6.4
93.07046	15.0
94.93741	1.0
95.04994	1.4
95.08609	23.6
97.06563	1.3
97.10166	4.5
105.07036	13.2
107.04955	1.8
107.08591	17.5
109.06542	1.6
109.10151	13.3
111.08056	1.7
116.42362	1.1
117.06997	1.6
119.08586	28.1
121.10158	13.4
123.08073	2.6
123.11700	4.8
131.08533	2.1
133.10136	30.1
135.08070	2.1
135.11687	6.8
137.05975	1.4
137.13226	1.3
139.07567	1.6
139.11165	1.2
145.10103	1.5
147.08035	1.3
147.11685	22.1
149.09560	1.3
149.13260	6.7
151.11177	1.5
153.09111	6.2
159.11681	1.4
161.13240	11.1
163.14758	2.7
165.09065	1.5
167.10707	6.2
174.14064	1.2
175.11131	1.2
175.14838	4.3
179.10698	2.4
181.12128	1.4
187.14743	1.2
193.12331	2.3
203.17963	100.0
205.19522	17.0
207.13881	1.3
221.19048	8.2
226.69011	1.0
231.13887	1.1
231.17448	4.7
231.20979	4.5
237.22893	1.1
249.11292	1.7
249.15782	2.0
249.18475	21.4
249.22139	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	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
52.10114	0.8
53.03920	0.8
55.05267	0.9
55.05513	11.8
57.07075	4.8
57.07306	0.9
59.04985	1.3
67.05508	5.2
67.78188	0.9
69.03471	1.1
69.07072	6.5
71.49298	1.4
79.05493	5.2
81.07073	8.7
83.08617	5.1
84.04531	0.7
91.05474	4.5
93.07057	13.2
95.04948	1.0
95.08054	1.1
95.08620	18.9
97.10183	3.9
105.07041	14.2
107.07883	1.0
107.08606	19.1
109.06503	1.1
109.10162	14.4
111.04398	1.8
111.08073	1.5
119.08588	26.1
121.06491	0.8
121.10152	11.8
123.08079	0.8
123.11710	2.9
125.05985	1.3
125.09602	1.0
131.08536	1.5
133.10139	30.2
135.11716	7.0
137.05945	1.5
139.07509	1.7
143.08531	1.1
145.10156	2.0
147.11682	18.5
149.13295	3.8
151.07643	0.9
151.08844	0.8
151.11177	1.3
151.59570	0.9
153.09148	8.6
157.10133	1.5
159.11682	2.0
161.09636	1.4
161.13269	11.0
163.14732	2.7
165.09114	1.4
167.10689	6.5
175.11211	1.0
175.14871	4.8
179.10657	4.1
181.12285	1.0
189.09030	1.0
193.12225	3.5
203.17969	100.0
205.19522	15.3
213.16393	1.1
221.15286	1.0
221.19046	4.1
231.17363	4.6
242.65579	0.8
249.07478	1.2
249.14827	1.6
249.15504	1.4
249.18500	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	249.1851
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03950	5.9
55.01860	2.1
55.05521	8.1
56.96557	4.3
57.07077	2.3
59.04984	3.2
65.03940	3.1
66.95125	0.9
67.05511	31.7
67.05869	1.7
69.03410	2.6
69.07072	7.5
69.78238	2.7
69.78654	3.0
71.04976	1.2
77.99403	0.9
79.05499	64.4
81.03426	2.0
81.07058	22.3
83.04978	3.5
83.08629	4.7
85.02898	2.1
85.06549	4.8
91.05486	31.2
93.07052	100.0
95.04965	6.2
95.08616	16.6
97.02885	2.1
97.06509	3.0
97.10175	2.0
98.97585	4.7
99.08091	1.3
105.04494	2.4
105.07034	13.8
107.04949	1.8
107.08603	42.4
109.06515	2.8
109.10159	5.2
111.08078	2.1
116.98564	1.5
117.07013	3.1
119.08584	11.7
121.06514	3.8
121.10155	76.0
123.08080	2.0
123.11765	1.4
129.06966	2.4
131.08589	6.8
133.06482	2.1
133.10118	8.5
135.08072	4.0
135.11702	24.4
137.09642	2.9
142.07800	1.1
143.08603	2.4
145.10158	7.4
147.08067	2.3
147.11697	7.0
149.09668	5.7
149.13287	3.3
153.09137	2.3
157.10172	5.4
158.99602	1.3
159.11662	2.0
161.09642	3.9
161.13229	1.8
163.11194	1.5
165.12794	2.7
167.10709	3.2
171.11664	2.1
175.11130	1.5
175.14899	1.1
185.13329	2.4
189.09116	3.9
189.16399	2.9
193.12199	2.4
201.09198	1.4
203.05838	1.1
203.10593	1.7
203.14346	2.7
203.18030	1.5
207.13715	1.6
213.12825	1.2
213.16476	6.9
231.06468	1.5
231.13777	2.3
231.17560	5.4
249.14896	5.6
249.18524	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	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03960	0.5
55.05515	10.9
57.03427	0.7
57.07074	2.3
59.05009	0.6
60.85354	0.4
67.05509	3.5
69.07076	5.1
70.75231	0.8
70.75568	0.8
71.08656	0.5
79.05489	2.3
80.28231	0.4
81.07050	3.9
83.08617	4.1
91.05464	2.7
93.07053	6.0
95.08611	11.6
97.06577	0.6
97.10191	3.6
105.07040	8.9
107.08600	11.4
109.06536	0.5
109.10165	9.9
111.04426	0.5
111.08108	0.8
117.07098	0.6
119.08593	19.3
119.09469	0.9
121.10160	9.2
123.11712	1.6
125.05968	1.1
125.09616	0.6
128.70004	0.5
131.08569	1.0
133.10139	22.1
133.99825	0.4
135.08136	0.8
135.11696	3.6
137.05995	0.5
139.07568	1.7
139.11124	0.6
145.10153	1.3
147.08066	0.6
147.11699	17.9
149.09579	0.9
149.13249	2.1
153.09111	4.8
159.11726	2.1
160.12407	0.7
161.13278	8.4
163.14870	1.6
165.09111	1.3
167.10699	5.4
171.11758	0.6
174.14110	1.1
175.11162	0.7
175.14882	2.2
177.16319	0.4
179.10677	1.6
181.12251	1.0
189.12820	0.7
189.16342	0.6
193.12346	1.0
203.17972	100.0
204.18350	0.8
205.19543	3.3
221.19009	5.1
225.04251	0.6
226.04335	1.5
231.17392	2.9
239.49002	0.5
249.14661	0.7
249.16142	0.8
249.18520	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	249.1852
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
51.16028	2.5
53.03951	5.5
55.01860	3.3
55.05507	20.2
56.96553	10.0
57.07067	4.2
59.05003	7.4
67.05511	39.5
68.29307	2.6
69.03432	6.7
69.06777	2.7
69.07070	29.9
70.47694	2.7
71.04979	8.7
71.19796	7.6
79.05059	5.4
79.05495	86.4
79.05959	4.4
81.03425	6.3
81.07064	63.2
83.04972	8.3
83.08614	12.9
85.02872	3.2
85.06538	7.9
91.05481	48.8
93.06474	5.5
93.07050	95.4
95.04971	19.4
95.08607	38.0
97.02941	3.6
97.06526	9.4
97.10130	5.8
98.97576	5.9
104.99320	2.5
105.07033	42.2
107.08599	90.5
109.06526	64.2
109.10169	54.2
111.04366	4.9
111.08073	3.9
111.11726	4.3
117.07007	10.2
119.08598	31.7
121.06506	7.0
121.10143	63.4
122.15881	2.7
123.08067	11.9
123.11756	17.7
129.06995	5.6
131.08578	17.6
133.06483	3.5
133.10143	32.7
135.08070	21.2
135.11725	32.5
137.05991	5.6
137.09624	6.3
139.03908	3.7
142.07822	3.2
143.08575	11.0
144.83867	2.7
145.10106	12.8
147.08029	6.8
147.11714	19.6
149.09627	9.2
149.13237	9.1
151.11180	7.8
153.12740	6.6
157.10164	16.3
159.11693	5.7
161.09601	10.8
161.13271	6.3
163.11188	3.4
163.14890	3.1
165.09135	6.6
171.11655	12.5
173.13281	22.2
175.11171	10.0
175.14830	3.0
179.10695	4.1
185.04803	3.8
185.09528	3.9
185.13232	7.2
187.14940	3.8
189.09131	8.8
189.12820	5.0
191.14291	3.7
193.12210	5.5
203.10660	5.6
203.18065	17.3
207.13762	3.5
213.16389	15.8
231.10208	6.2
231.13803	5.5
231.17415	23.7
249.11136	4.7
249.14946	11.0
249.18524	100.0
249.21381	4.6
249.22180	4.3
266.11029	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	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03933	5.3
53.53024	1.7
55.01860	3.2
55.05522	15.5
56.96556	5.1
57.07066	1.9
57.85241	1.6
59.05004	2.7
65.03922	2.7
67.05508	21.2
69.03432	1.9
69.07066	15.3
71.04984	3.9
71.57186	2.0
79.05497	78.5
81.07064	33.4
83.08625	11.0
85.06548	4.1
87.04518	1.8
91.05486	30.2
93.07050	100.0
95.04966	7.7
95.08611	26.3
97.02890	2.0
97.06529	3.8
97.10149	4.1
98.97571	3.1
100.88395	1.6
105.04507	3.2
105.07037	28.9
107.04962	3.6
107.08604	87.2
109.06507	6.2
109.10165	10.3
111.04446	2.1
111.08072	1.9
117.07011	3.1
119.08597	20.4
121.06515	3.4
121.10155	48.1
123.08079	4.0
123.11707	2.4
129.07016	4.4
131.08565	7.3
133.10155	18.8
135.08060	2.7
135.11703	21.3
137.09625	3.0
142.07809	2.8
142.11888	1.7
143.08548	3.5
145.10123	7.0
147.11693	13.8
149.09625	3.7
149.13295	5.3
149.59201	1.8
157.10161	8.6
159.11682	4.7
161.09586	4.8
161.13245	2.9
163.11174	1.6
171.11707	6.1
173.13335	2.5
175.11214	2.9
175.14879	2.1
179.10693	2.9
185.04858	1.9
185.09552	2.2
185.13284	5.8
189.09113	6.3
189.12790	3.0
189.16466	3.5
191.10739	2.1
191.14090	1.6
203.10672	2.8
203.14326	5.3
203.17963	4.7
213.16394	9.0
231.13782	3.9
231.17485	11.4
249.14876	7.3
249.18529	75.8
250.07161	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05512	12.5
57.07070	2.8
59.04985	2.0
65.84767	1.3
67.05493	4.3
69.07074	5.4
71.58885	1.6
79.05509	3.2
80.44720	1.3
81.07047	7.2
83.08615	4.4
86.85525	1.2
91.05469	4.3
91.25275	1.2
93.07051	11.7
95.04974	8.5
95.08602	14.1
97.10146	3.2
105.07030	10.5
107.08591	14.5
109.06521	3.2
109.10152	11.1
119.08595	21.4
121.10154	9.0
123.08051	1.4
123.11689	3.7
133.09152	1.2
133.10126	23.0
135.08044	1.6
135.11670	5.1
145.10136	2.2
147.11682	16.8
149.13255	3.1
151.11137	1.6
153.09093	6.7
159.11702	1.5
161.13277	11.1
167.10701	8.0
175.14833	2.7
179.10582	2.0
189.09113	1.8
193.12331	1.7
203.17978	100.0
205.19550	3.3
221.18993	5.6
231.17554	7.8
249.07448	1.6
249.11336	2.9
249.16238	1.6
249.18494	27.1
265.65933	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03941	4.1
55.01860	2.7
55.05270	0.8
55.05516	12.8
56.96560	3.4
57.07058	0.8
59.30893	0.9
65.03938	0.8
65.63351	0.9
66.37206	0.8
67.05511	37.2
69.03423	2.5
69.07068	7.6
70.88711	1.9
71.04990	2.3
79.05499	50.1
81.03420	2.0
81.07061	30.8
83.04972	1.9
83.08627	13.4
85.06524	2.2
87.04458	1.0
91.05489	33.3
93.07053	61.2
95.04971	5.4
95.08060	1.4
95.08617	20.9
97.06522	4.2
97.10167	3.0
98.97574	1.8
99.08089	4.1
105.07047	12.2
107.04945	2.4
107.08607	34.7
109.02885	1.1
109.06527	3.2
109.10165	9.6
111.04369	1.0
111.08069	4.0
113.09683	1.4
117.07013	3.9
119.08601	16.1
121.06522	4.3
121.10150	66.0
123.08087	3.7
123.11681	2.2
125.09618	2.4
129.06999	3.3
131.08569	9.8
133.10136	15.1
135.08047	3.9
135.11710	20.6
137.05952	1.7
137.09631	14.1
139.07521	2.6
139.11163	2.1
141.09148	0.9
142.07797	1.1
143.08565	3.7
145.10130	5.3
147.08047	8.1
147.11690	7.4
147.15474	0.9
149.09628	7.5
149.13254	2.6
151.11179	6.6
153.09146	7.4
157.10109	4.2
159.11644	1.8
161.05954	1.0
161.09618	2.1
161.13281	2.5
163.11133	1.0
165.07230	1.3
165.12808	1.5
167.10661	3.0
171.11699	3.9
173.82545	0.9
175.07625	1.1
175.11205	1.4
181.12291	1.0
185.04906	3.6
185.13287	2.0
189.09119	2.2
189.12724	1.4
189.16434	1.8
203.05939	6.0
203.14275	1.2
203.18011	4.4
207.13838	1.1
213.16371	8.1
221.19008	2.2
231.13834	2.8
231.17426	12.2
249.14706	2.8
249.18518	100.0
261.18591	0.9
262.91614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1072
Annotation	Semecarpifoline
Peak:m/z	Relative Intensity
51.70831	0.1
56.21828	0.2
56.96574	0.3
57.78016	0.2
59.05007	1.2
59.06802	0.2
63.43081	0.2
69.03439	0.5
69.45341	1.2
77.03945	0.2
78.35074	0.2
79.05508	0.3
87.04473	77.6
91.05489	0.4
92.05016	0.3
95.04972	0.3
96.04492	0.3
98.97575	0.2
98.98452	0.2
104.04983	1.8
105.05766	0.5
110.06042	0.5
118.06530	0.2
120.08112	1.9
121.06514	0.7
122.06033	2.2
132.04448	2.2
134.05994	0.6
137.04689	0.2
141.27094	0.1
144.43758	0.2
150.05670	0.2
164.07071	100.0
165.07477	0.4
178.64775	0.2
184.68353	0.2
192.30244	0.2
201.90938	0.2
204.10368	0.2
220.02977	0.2
238.03807	0.4
250.10754	89.6
251.11206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1075
Annotation	Semecarpifoline
Peak:m/z	Relative Intensity
58.64465	0.4
61.69683	0.4
63.87006	0.4
64.39068	0.4
69.03436	0.6
71.30169	0.7
87.04471	73.3
91.05496	0.6
92.05012	0.7
96.98275	0.4
104.05012	1.5
105.05759	0.4
109.04296	0.5
110.06066	0.9
120.08118	2.2
121.06517	2.7
122.06042	2.1
132.03578	0.6
132.04430	2.5
134.06027	0.5
164.07071	100.0
165.07550	0.5
207.34726	0.4
250.10762	79.2
251.11111	0.7
273.02002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1281
Annotation	Pterosin T
Peak:m/z	Relative Intensity
53.03941	2.4
55.01863	4.6
55.05510	4.3
57.85946	1.5
67.05518	10.0
69.03431	8.9
69.07068	3.6
69.19248	2.6
69.19648	12.7
71.01275	1.4
71.05000	8.0
79.05501	18.5
81.07066	14.7
83.04977	2.6
85.06553	3.0
90.76015	1.4
91.05495	12.0
93.07055	21.1
95.04977	15.7
95.08611	6.6
97.06528	6.3
98.98472	9.7
99.04465	14.2
99.08013	1.6
103.05498	4.3
103.20320	1.6
105.07043	36.2
107.04962	21.1
107.08593	10.4
109.06535	14.1
109.10188	1.7
113.06004	2.0
117.07032	13.2
119.04960	5.5
119.08593	9.6
121.06515	24.6
121.10165	4.0
125.06027	4.1
128.06200	2.2
129.07022	4.9
130.07814	6.8
131.08578	22.2
133.06456	3.8
133.10130	5.2
135.08049	4.8
135.11694	5.7
137.05981	12.6
137.15630	1.5
139.07568	4.1
141.07005	3.8
143.08575	7.0
144.09389	4.3
145.06506	6.7
145.10133	86.7
147.08054	3.5
147.11723	6.3
148.08826	2.4
149.06018	2.9
151.07611	1.5
154.07834	3.5
155.08580	2.1
157.10086	1.5
158.07266	3.7
159.08116	4.2
159.11700	28.1
163.11192	100.0
169.10115	7.8
171.11757	2.0
172.08884	1.7
173.08273	2.8
173.09644	33.8
177.12749	3.2
179.08537	2.4
182.07349	2.9
187.09496	3.5
187.11195	67.5
189.12717	2.1
191.10699	29.6
197.09648	9.8
205.12271	30.1
211.10741	1.5
215.10696	60.2
216.10944	1.4
225.10361	1.8
233.11729	41.7
251.12814	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	251.128
Annotation	Pterosin T
Peak:m/z	Relative Intensity
53.03945	2.1
55.01862	2.2
55.05516	3.3
59.05000	2.2
59.24701	1.5
67.05495	7.9
69.03429	5.5
69.07066	4.3
69.89743	7.8
71.04997	6.6
77.40757	1.4
78.28227	1.4
79.05504	15.9
79.64761	1.8
81.03443	1.6
81.07080	12.9
83.04993	3.2
85.06561	2.6
91.05498	14.0
93.07055	17.2
95.04974	10.7
95.08625	5.5
97.06548	6.8
98.98488	5.3
99.04451	10.8
105.07044	34.8
107.04967	16.7
107.08615	9.8
109.06531	10.8
111.08135	1.8
113.06039	1.7
117.07008	12.4
119.04959	5.6
119.08579	11.6
121.06503	21.1
121.10128	3.2
125.91109	1.6
127.07586	1.9
128.06221	3.0
129.07028	5.1
130.07791	5.9
131.08594	20.0
133.06517	5.0
133.10165	3.2
135.08044	4.0
135.11699	4.7
137.05998	9.9
137.97205	1.5
139.07535	3.8
141.06989	2.6
143.08578	7.2
144.09370	5.3
145.06493	4.7
145.10139	73.1
147.11734	6.4
148.08760	3.6
151.07558	2.0
154.07767	2.0
155.08574	2.7
157.08675	1.7
157.10185	2.0
158.07272	3.1
159.08083	2.9
159.11703	31.0
163.07549	2.3
163.11208	100.0
169.10168	7.9
171.11729	1.8
172.08842	2.7
173.09641	32.6
177.12793	5.9
182.07343	2.6
187.11209	60.3
189.12741	3.7
191.10696	29.7
197.09676	8.6
205.12268	26.5
215.10683	55.3
233.11777	43.9
251.12865	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	251.1279
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03939	6.7
55.01863	9.0
55.05508	11.5
65.03928	2.6
67.05505	14.9
69.03432	8.8
69.07072	12.6
69.07403	1.9
70.20704	3.5
70.21082	4.1
71.05009	10.2
71.91024	2.2
73.30850	1.8
77.03898	2.2
78.75909	2.1
79.05498	49.5
81.07061	88.4
83.04981	8.7
83.08612	3.9
84.08157	5.0
85.06532	4.8
87.04475	3.5
88.04884	2.2
89.28871	1.9
91.04960	3.0
91.05490	34.0
93.07050	84.5
95.04970	28.3
95.08612	22.7
97.02882	5.8
97.06539	22.4
98.20985	4.2
98.21558	2.2
98.98474	36.2
99.04483	12.3
103.05449	3.1
105.06378	4.1
105.07039	54.5
107.04957	29.5
107.08601	33.1
109.06527	73.3
109.10133	4.2
111.04466	2.2
111.08081	7.6
113.06014	4.6
115.05460	3.4
116.22336	1.9
117.07013	16.7
119.04946	27.3
119.08614	16.6
121.06516	62.7
121.10163	8.0
123.04427	4.0
123.08089	2.4
125.06011	10.5
127.07568	4.6
128.06241	4.6
129.07025	7.8
130.07808	5.7
131.08556	24.7
133.06462	12.9
133.10112	7.1
135.04436	2.9
135.08011	12.8
135.11710	26.4
137.05989	76.8
139.07541	23.8
141.06947	4.0
143.08560	8.2
144.09312	3.5
145.06473	15.3
145.10132	82.8
147.08069	2.1
147.11691	6.8
149.05971	3.8
149.09616	2.2
152.87422	2.3
153.06998	3.9
154.07777	8.8
155.08569	3.6
157.06551	3.1
157.08646	15.5
158.07272	7.3
159.08037	12.4
159.11705	45.3
163.11201	78.3
165.07411	5.1
166.50629	2.1
167.08566	2.5
169.10165	17.7
171.11685	6.8
172.08823	7.2
173.05942	2.8
173.09644	32.1
177.12775	4.3
179.08560	13.7
181.12247	43.9
182.07297	8.2
187.11192	65.6
189.12807	4.4
191.10678	29.9
197.09619	38.3
205.12248	25.7
215.10690	100.0
227.12798	13.8
233.11748	59.5
251.10536	3.2
251.12953	40.0
251.16457	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	251.128
Annotation	Pterosin T
Peak:m/z	Relative Intensity
51.25085	1.3
52.64585	1.3
53.03946	1.2
55.01865	3.6
55.05499	3.5
56.88302	1.1
65.03942	2.7
65.33096	1.1
67.05505	10.0
69.03429	6.9
69.07063	4.7
69.40538	10.0
71.04984	7.3
79.05499	17.7
81.07066	14.7
83.04979	1.8
91.05488	17.1
93.07050	21.4
95.04985	12.6
95.08595	6.0
97.06561	6.6
98.98471	10.6
99.04475	9.9
103.05441	2.0
105.06393	2.2
105.07046	32.4
107.04969	20.6
107.08620	12.2
109.06525	11.5
113.06014	2.7
113.13536	1.1
116.06237	1.5
117.07037	11.2
119.04934	3.8
119.08586	11.0
121.06518	18.6
121.10146	4.2
123.08071	2.0
125.06024	3.8
127.07604	1.4
128.06239	1.7
129.06995	4.6
130.07790	6.8
131.08597	17.7
133.06479	4.4
133.10132	5.0
135.04414	1.2
135.08040	4.8
135.11676	4.2
135.15268	1.1
137.05972	11.2
139.07571	3.9
141.06952	2.4
143.08632	6.4
144.09328	4.1
145.06461	4.8
145.10141	75.0
147.08063	3.6
147.11690	5.4
148.08829	2.3
149.05951	1.8
149.09558	1.9
151.07518	2.5
153.05403	1.4
154.07777	3.3
155.07118	1.7
155.08488	2.5
156.09329	1.3
157.39893	1.2
158.07326	2.7
159.08075	2.9
159.11711	29.7
163.11198	100.0
164.07117	1.4
169.10144	9.1
171.11682	3.0
172.08861	2.6
173.09648	32.8
177.12741	3.4
179.08521	1.4
180.41626	1.1
181.12300	1.6
182.07288	1.8
187.09502	2.9
187.11197	59.1
189.12767	4.0
191.10699	29.7
197.09621	6.4
205.12241	30.6
215.10706	55.8
233.11751	43.3
251.10869	1.2
251.12851	18.3
252.08595	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01626	2.5
55.01873	13.3
55.05503	5.8
61.02914	3.8
67.05510	17.4
69.03418	10.5
69.07043	6.6
69.64331	11.8
71.04992	8.8
72.36671	2.4
79.05502	26.0
81.07061	29.8
83.08633	5.1
84.08126	3.6
85.06559	14.1
91.05487	23.1
93.07051	64.9
95.04453	2.7
95.04985	26.9
95.08630	7.2
97.06540	24.0
98.93275	2.5
98.98483	31.7
99.04439	13.5
102.92965	2.1
103.05467	4.6
105.04616	2.7
105.06387	3.9
105.07042	49.0
107.04978	18.8
107.08623	16.7
109.06526	41.3
111.08080	14.4
113.05985	4.0
117.07032	15.2
119.04938	17.6
119.08622	12.2
121.06520	59.9
121.10117	3.2
123.08027	3.0
125.05983	3.9
127.07605	12.9
128.06232	3.6
129.07024	7.0
130.07774	6.2
131.08572	23.1
133.06471	9.7
133.10143	6.8
135.08029	4.9
135.11711	2.8
137.05940	9.0
139.06526	3.1
139.07555	44.0
141.06929	5.0
143.08514	6.1
144.09360	8.7
145.06509	16.0
145.09039	4.9
145.10135	73.9
147.11676	6.7
149.09605	3.2
154.07764	10.0
155.07066	3.0
155.08498	4.2
157.08630	28.2
157.09891	5.0
158.07216	8.1
159.08073	7.7
159.11696	42.4
161.13330	3.0
163.11198	25.9
169.10138	19.0
171.11713	3.4
172.08801	6.3
173.09653	27.9
174.99222	2.6
177.12703	7.3
179.08546	8.9
182.07304	7.6
187.09518	4.7
187.11192	87.9
191.10669	20.3
197.09642	29.1
205.12254	37.5
206.08133	2.6
215.10693	100.0
216.63605	2.9
233.11743	42.5
251.10634	2.8
251.12816	20.9
251.16351	3.8
252.08679	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	251.128
Annotation	Hyperolactone A
Peak:m/z	Relative Intensity
53.03939	6.3
55.01870	5.9
55.05522	7.4
62.20120	2.8
65.03937	3.5
66.01109	2.7
67.05499	8.3
69.28855	19.2
69.29279	10.5
71.04998	21.2
79.05505	53.6
81.07064	28.4
83.04993	5.8
85.06550	10.5
86.29616	2.8
87.59343	3.2
91.05490	44.1
93.07053	81.1
95.04970	11.9
95.08595	4.3
97.02886	18.7
97.06548	17.5
98.98467	3.6
99.04459	26.3
105.07038	56.1
107.04963	8.4
107.08601	46.7
109.06503	9.4
115.05499	5.3
117.07025	15.9
119.04950	4.2
119.08585	14.2
121.06523	26.6
125.06009	7.9
127.07578	3.4
128.06238	7.0
128.07144	2.9
129.06999	13.1
130.07790	11.8
131.04834	2.8
131.08597	28.0
133.10118	4.0
135.08049	13.4
137.05983	8.7
139.07571	8.8
141.06956	7.4
143.08572	10.3
144.09343	10.3
145.06476	16.8
145.10136	100.0
147.11748	3.5
149.05963	5.5
154.07765	8.5
155.08553	4.6
158.07320	15.9
159.08096	18.7
159.11703	59.4
163.07591	4.0
169.10138	13.6
172.08882	4.8
173.09654	62.0
187.11185	69.1
191.10629	7.6
197.09630	10.6
205.12228	28.0
215.10709	39.2
233.11755	9.8
251.12830	5.2
251.16049	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	251.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	2.5
55.05515	5.1
67.05482	7.6
69.03415	5.1
69.07053	3.0
70.69065	7.8
71.04997	13.6
75.56579	2.2
79.05501	13.7
81.07065	13.1
84.08142	2.9
85.06511	3.7
87.04472	76.1
88.04818	26.2
88.24125	2.5
91.05476	23.8
93.07059	13.0
95.04937	9.5
95.08563	3.4
98.98460	25.7
99.03941	2.9
99.04455	34.5
101.60389	2.2
103.05455	2.9
104.65192	2.9
105.07029	28.8
107.04934	6.2
107.08555	9.7
109.06490	6.9
117.07014	15.2
119.04904	4.9
119.08544	7.5
121.06516	27.4
122.06799	2.7
128.06166	3.7
129.06987	6.5
130.07768	8.2
131.08568	22.5
133.06480	6.2
133.10181	14.8
137.05960	5.6
141.06984	3.3
143.08546	7.1
144.09305	6.6
145.06435	11.8
145.10129	94.8
147.11670	4.7
149.12285	3.0
154.07741	5.2
155.08542	4.1
157.09993	4.8
158.07234	10.0
159.08003	8.1
159.11691	36.4
163.11182	5.9
164.07074	44.2
165.07423	75.4
169.10103	10.9
172.08890	3.4
173.09636	42.9
187.11189	61.6
191.10638	10.2
197.09515	6.6
205.12244	34.3
215.10689	64.6
233.11705	21.9
250.10744	3.6
251.11078	100.0
251.16324	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	251.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01877	2.7
55.05502	6.8
56.96554	6.9
57.07050	2.7
65.03925	2.6
67.05508	12.0
69.03424	3.7
69.07065	10.9
70.89623	4.5
71.04987	13.5
72.08152	4.3
79.05500	23.4
81.07056	24.1
81.51464	2.6
82.79882	2.5
83.04975	3.3
84.08141	8.2
85.06546	3.9
87.04452	6.2
89.72052	2.4
91.04973	2.9
91.05493	35.3
91.44484	2.5
93.07046	49.4
93.45462	2.3
95.04971	15.4
95.08614	14.9
97.02881	7.9
97.06532	9.5
98.97581	7.6
98.98472	100.0
98.99129	5.3
99.04463	31.1
103.05475	9.8
105.07028	45.1
107.04968	7.3
107.08607	22.4
109.06506	6.8
109.10182	7.0
112.11273	3.0
115.05480	2.5
116.98582	3.1
117.07039	11.9
119.04926	6.1
119.08591	10.1
121.06510	84.9
121.10108	3.1
122.06824	4.5
123.11710	3.4
125.05963	3.6
128.06183	2.3
129.06996	5.0
130.07782	5.1
131.04893	3.1
131.08586	21.5
133.10130	8.1
135.08076	9.7
135.11708	3.3
137.05949	4.0
139.07550	10.7
141.07040	2.5
143.08539	7.9
144.09328	5.1
145.06464	10.0
145.09038	5.2
145.10138	70.9
145.11287	3.8
147.11667	4.7
149.05992	3.2
149.09532	2.4
149.13252	2.6
151.07529	3.1
154.07794	3.7
158.07268	6.0
158.99577	2.3
159.08051	11.0
159.11700	48.8
163.07564	5.3
163.11131	4.0
164.07147	2.8
165.07413	6.4
169.10132	7.1
171.08012	3.5
172.08856	5.0
173.09634	28.2
173.14789	2.5
174.99220	6.1
177.00618	3.4
177.12743	2.6
179.08530	4.2
181.00052	2.5
182.07207	2.7
182.99352	2.6
187.11203	46.4
191.10658	7.9
193.10117	2.5
197.09650	7.1
205.12241	39.6
210.05324	3.1
215.10687	36.2
221.56172	2.7
225.00702	5.5
233.11752	17.9
233.15291	4.3
251.08894	3.2
251.10944	5.4
251.13005	4.2
251.16393	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	251.1281
Annotation	delta-CEHC
Peak:m/z	Relative Intensity
53.03945	6.6
55.01884	5.4
55.05504	6.4
56.96564	8.1
57.07067	2.7
58.22365	1.9
59.05009	2.8
65.03957	2.6
67.05514	19.1
69.03429	2.9
69.07082	14.7
70.98127	2.6
71.04993	8.9
71.56455	2.6
72.08152	5.4
79.05495	18.7
80.40782	2.3
81.07074	18.2
82.35430	1.9
83.05004	2.5
83.08615	2.6
84.08138	10.9
86.06071	5.4
87.04463	6.6
91.05492	34.9
93.07050	49.9
95.04968	10.8
95.08599	16.3
97.02901	10.5
97.06532	10.5
98.97613	15.0
98.98479	97.3
99.04471	27.5
99.53828	2.3
103.05482	12.2
105.07033	34.3
107.04932	4.1
107.08604	21.6
109.06505	6.8
109.10170	8.2
111.04430	2.4
112.11284	3.5
113.56018	2.5
116.98662	3.2
117.07033	11.8
117.98396	2.1
119.04974	3.0
119.08595	10.7
121.06517	100.0
121.10140	3.5
122.06841	4.8
125.06032	2.7
126.97099	2.3
128.11852	5.8
129.06979	5.0
130.07770	5.7
131.08568	14.4
133.06511	4.2
133.10136	5.6
135.08076	10.3
135.11713	5.8
137.05980	4.8
139.07545	8.8
140.98616	2.2
141.06993	3.0
142.19240	2.0
143.08582	6.4
144.09378	7.2
145.06464	9.7
145.09050	3.5
145.10146	64.5
147.08040	4.3
147.11740	4.6
149.06027	2.9
154.07793	3.5
155.08572	3.8
157.10176	2.3
158.07294	4.5
158.99655	5.4
159.08072	11.4
159.11705	37.9
161.01189	2.8
163.07567	3.2
163.11189	3.3
164.07086	5.4
165.07436	7.3
169.10089	6.9
172.08835	3.3
173.09654	28.5
174.99248	4.7
177.09239	2.5
177.12680	3.3
179.08517	4.2
185.08273	3.8
187.11212	42.9
191.10750	7.7
197.09653	10.7
201.00670	2.5
205.12270	28.6
210.05528	3.6
215.10710	37.1
215.17865	3.1
233.11841	15.4
233.15387	4.7
249.02898	4.4
251.09154	4.9
251.11095	3.4
251.14528	2.7
251.16446	4.8
251.20102	5.6
259.32581	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	251.128
Annotation	Pterosin T
Peak:m/z	Relative Intensity
53.03947	4.4
55.01626	2.5
55.01873	13.3
55.05503	5.8
61.02914	3.8
67.05510	17.4
69.03418	10.5
69.07043	6.6
69.64331	11.8
71.04992	8.8
72.36671	2.4
79.05502	26.0
81.07061	29.8
83.08633	5.1
84.08126	3.6
85.06559	14.1
91.05487	23.1
93.07051	64.9
95.04453	2.7
95.04985	26.9
95.08630	7.2
97.06540	24.0
98.93275	2.5
98.98483	31.7
99.04439	13.5
102.92965	2.1
103.05467	4.6
105.04616	2.7
105.06387	3.9
105.07042	49.0
107.04978	18.8
107.08623	16.7
109.06526	41.3
111.08080	14.4
113.05985	4.0
117.07032	15.2
119.04938	17.6
119.08622	12.2
121.06520	59.9
121.10117	3.2
123.08027	3.0
125.05983	3.9
127.07605	12.9
128.06232	3.6
129.07024	7.0
130.07774	6.2
131.08572	23.1
133.06471	9.7
133.10143	6.8
135.08029	4.9
135.11711	2.8
137.05940	9.0
139.06526	3.1
139.07555	44.0
141.06929	5.0
143.08514	6.1
144.09360	8.7
145.06509	16.0
145.09039	4.9
145.10135	73.9
147.11676	6.7
149.09605	3.2
154.07764	10.0
155.07066	3.0
155.08498	4.2
157.08630	28.2
157.09891	5.0
158.07216	8.1
159.08073	7.7
159.11696	42.4
161.13330	3.0
163.11198	25.9
169.10138	19.0
171.11713	3.4
172.08801	6.3
173.09653	27.9
174.99222	2.6
177.12703	7.3
179.08546	8.9
182.07304	7.6
187.09518	4.7
187.11192	87.9
191.10669	20.3
197.09642	29.1
205.12254	37.5
206.08133	2.6
215.10693	100.0
216.63605	2.9
233.11743	42.5
251.10634	2.8
251.12816	20.9
251.16351	3.8
252.08679	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	251.1644
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03943	2.1
53.86301	0.7
55.01873	1.4
55.05518	5.8
56.96574	4.0
57.03434	1.1
57.07074	1.0
59.04998	1.3
65.03934	1.4
67.05511	23.9
69.03439	1.2
69.07076	8.5
71.04995	2.7
71.57334	1.0
72.08155	1.8
79.05499	20.0
79.05958	1.1
81.03422	3.2
81.07063	27.3
83.04986	1.5
83.08629	3.9
84.08144	2.5
85.06535	1.4
87.04483	1.2
91.05489	30.0
93.07053	15.9
93.73658	0.6
95.04987	7.4
95.08616	13.8
97.06545	3.9
97.10153	1.6
98.98475	100.0
103.05490	3.1
105.04552	0.7
105.07042	21.5
107.04965	5.8
107.08603	8.6
109.06530	5.3
109.10156	6.2
111.08112	1.5
113.06010	1.2
115.05469	0.7
116.99519	1.7
117.07029	7.4
119.08595	16.9
121.06519	10.6
121.10151	5.5
123.08081	2.6
123.11732	2.1
125.09633	1.1
128.06302	0.9
128.11874	2.2
129.07028	2.2
131.08583	15.0
133.06522	2.1
133.10149	6.1
135.08043	3.4
135.11688	3.3
137.05995	1.0
137.09622	1.8
140.01140	1.4
141.07019	1.3
143.08603	1.8
145.10188	5.5
147.08101	1.2
147.11736	2.1
149.09572	1.5
149.13277	0.8
151.07584	1.0
151.11145	0.6
155.08586	1.4
157.10101	0.7
159.11711	2.1
161.13251	1.5
163.07541	0.9
163.11107	0.8
165.12747	2.8
169.10149	1.6
171.11684	3.3
173.13287	3.3
174.99249	4.9
175.14827	0.8
187.11174	1.4
187.14854	3.8
189.12787	0.8
191.10785	0.8
191.14337	1.6
197.13275	3.2
205.15947	2.2
207.13795	1.8
213.08075	1.3
215.14325	2.4
215.17976	1.2
231.09093	1.1
233.11894	0.9
233.15404	16.3
233.19009	1.3
251.09212	1.5
251.16374	10.9
251.20203	3.8
269.10507	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	252.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01862	4.8
55.05501	2.1
56.62471	1.3
56.78617	1.4
56.96569	17.0
57.03433	6.3
61.02925	9.5
67.05502	2.5
69.03436	31.0
70.06606	1.5
71.04996	7.7
71.58066	1.7
72.08162	2.7
73.02917	12.1
81.03430	13.1
81.07040	1.7
83.01324	2.2
83.04965	2.1
84.08139	5.2
84.96031	5.3
85.02428	2.9
85.02911	39.8
85.06563	2.7
86.09715	2.9
87.04449	3.6
89.00760	1.6
91.05475	3.0
97.02901	95.9
98.03217	2.4
98.97582	94.4
98.98460	23.2
99.04459	6.5
101.00763	1.8
101.02339	2.1
103.04018	1.7
109.02868	8.2
110.01244	2.5
110.06064	1.8
110.97578	16.0
111.04437	2.3
112.99173	2.1
113.46896	1.5
116.98627	36.4
119.01798	3.1
119.04970	1.9
120.08199	1.7
121.05130	2.2
121.06509	5.0
123.04437	1.6
124.03063	1.8
124.03965	36.4
124.07583	3.8
125.02367	5.1
127.03918	10.7
128.02296	2.3
128.98596	12.3
131.01776	1.8
133.06523	1.8
134.99669	7.5
135.06660	2.6
136.06200	15.6
136.07840	1.6
137.06065	2.7
139.03972	3.1
140.02238	1.7
142.69092	1.5
143.00183	3.9
145.01649	1.9
145.04971	11.7
146.02307	2.5
146.99619	3.4
147.04361	1.8
148.06210	5.3
151.03876	2.8
152.02335	3.7
158.99672	33.9
160.06247	1.8
161.01291	3.1
161.02794	1.4
162.07771	35.2
163.97792	4.2
165.05550	2.4
166.08716	1.4
167.40265	1.3
169.02544	8.3
170.99648	4.7
172.02118	2.4
173.01241	1.8
173.02739	2.3
174.99263	1.9
177.00720	21.2
177.05493	1.6
180.03630	5.1
181.98914	9.3
182.03400	10.4
182.99634	2.2
188.05664	6.1
189.00739	3.9
189.04079	2.6
189.53531	1.5
191.03908	13.2
192.05145	8.4
192.06668	1.8
199.99951	11.4
201.00694	3.4
205.98839	6.0
206.06761	5.5
206.11841	5.1
210.99150	2.8
213.00690	2.7
215.02287	3.4
219.01764	18.6
229.00201	13.6
231.05109	3.0
234.06149	4.4
234.11421	1.8
236.04521	2.7
237.02824	13.5
237.05107	3.1
239.02287	18.6
252.05466	100.0
252.07819	7.4
252.12329	21.4
252.15982	3.2
252.55992	11.4
253.08612	3.9
257.03348	23.5
272.57101	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01861	5.4
55.05498	5.5
56.05033	1.6
56.96564	8.5
57.03436	17.7
59.05000	2.3
60.04521	3.1
60.89854	1.3
61.02930	16.6
66.64742	1.3
67.05502	2.5
69.03434	45.2
70.03772	2.8
70.06585	1.4
71.01342	1.5
71.04999	18.4
71.56816	1.7
71.99968	1.3
72.04512	6.1
72.05319	2.0
72.08149	5.1
73.02919	10.2
75.04484	1.7
79.05494	2.0
81.03410	15.2
81.07061	2.9
82.01404	2.3
82.99853	2.9
83.01436	2.2
83.04994	7.9
84.04506	2.3
84.08147	11.4
84.31934	1.3
84.53647	1.2
85.02906	90.1
85.06529	2.9
86.03242	6.1
86.09694	3.8
87.04456	7.7
88.02661	1.6
88.03987	1.9
89.03489	1.5
90.05540	2.1
90.09191	11.4
91.03944	4.7
91.05476	6.1
92.05829	1.7
93.07045	2.6
93.24538	1.3
94.02697	1.5
95.04970	1.6
96.01496	1.7
96.02434	3.1
97.01384	1.6
97.02895	37.2
98.03219	2.8
98.97586	28.4
98.98458	4.1
99.04460	10.1
100.02457	2.3
101.00886	24.2
101.02541	4.8
101.03428	2.7
102.00974	5.0
102.02401	4.6
103.00640	4.1
103.02507	1.3
103.03216	2.1
103.20264	1.4
106.05033	5.5
107.03410	1.4
107.08562	3.4
108.04208	1.7
109.02867	10.3
109.53312	1.9
110.03234	2.4
110.03976	6.9
110.97574	4.3
111.02935	5.1
111.04432	4.2
112.03726	2.5
112.99122	1.6
115.02422	6.9
115.03952	1.7
116.03969	7.6
116.04709	1.5
116.98608	5.1
118.03633	1.8
119.01933	24.6
119.03656	2.1
119.05018	2.3
120.02007	3.4
121.01664	5.5
121.06533	7.3
123.03025	1.4
123.04702	1.9
124.03783	3.2
125.03605	1.3
125.04497	5.6
127.02434	3.5
127.03922	18.5
128.04218	1.7
128.98598	2.3
129.03090	1.8
129.03976	3.0
129.05490	3.5
129.10223	2.3
130.08621	3.0
130.55275	1.6
131.01888	3.8
131.04567	1.8
133.03362	7.5
133.04250	5.4
133.54381	1.8
134.99629	1.5
136.06181	6.1
137.03000	1.5
137.05994	10.3
138.05296	2.2
138.06320	1.9
139.02426	5.0
139.03944	4.9
139.54393	2.0
140.04076	1.8
140.04996	7.9
140.55132	3.7
141.03932	1.7
143.00171	2.6
143.01903	13.3
144.01953	2.3
144.05246	1.6
144.99846	1.7
145.01648	2.4
145.03450	11.6
145.04967	10.8
146.03540	2.0
147.03203	2.0
147.05028	4.3
150.05513	7.7
153.05780	2.7
154.04797	1.7
155.01920	3.0
156.03630	2.8
157.01604	1.6
157.03452	17.9
157.04538	1.6
158.03656	5.6
158.99657	5.6
159.03271	6.0
159.05055	5.8
160.99217	1.6
161.01204	3.0
161.02960	10.4
161.04535	5.9
161.05762	9.7
161.55629	6.2
162.03435	3.8
162.05176	2.4
162.06306	8.8
162.07782	6.0
163.02695	1.7
163.04320	1.8
165.05545	2.1
168.95766	2.5
169.01669	1.9
169.03439	1.6
170.04997	4.3
170.06081	6.5
170.56287	9.2
171.04095	5.2
171.06898	100.0
171.56943	11.1
172.02071	3.3
172.05003	4.1
172.99368	1.4
173.02943	4.5
173.99492	5.4
175.04489	9.1
176.04718	2.7
177.00703	4.1
177.04315	3.6
177.06068	6.1
178.99983	1.9
179.02257	1.8
181.05563	1.7
183.05055	3.2
184.05843	3.1
184.55975	3.3
185.02859	4.0
185.06737	2.9
186.96841	2.6
187.02844	2.2
187.04477	6.6
187.54620	5.5
188.05875	1.8
192.00464	2.4
192.04948	3.2
192.54735	1.5
195.07172	3.3
196.00876	4.0
197.01103	14.6
203.04018	5.3
205.05515	11.5
206.05594	3.1
207.05226	2.4
209.04007	1.6
211.02684	3.5
215.02094	5.4
219.01819	4.1
219.07133	7.0
220.07362	1.9
223.06654	27.1
224.06747	8.6
225.06451	5.3
229.03708	9.5
233.08708	3.3
237.02789	2.3
239.04312	1.7
241.07713	6.6
252.09108	12.7
252.12332	7.4
252.14577	2.2
252.59459	1.7
253.08344	1.8
255.01822	1.8
265.07800	7.7
266.07849	4.0
267.07471	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	252.1093
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
53.03926	0.2
54.85356	0.1
56.96561	0.4
57.03418	0.3
69.03422	0.5
70.71081	0.5
71.05012	0.8
73.02921	1.2
77.55130	0.1
81.03407	0.3
81.07070	0.2
84.08173	0.1
85.02911	0.2
86.74641	0.1
90.79633	0.1
91.05511	0.3
93.07040	0.3
94.04056	0.4
95.04983	0.2
98.97609	1.5
98.98471	0.7
99.04450	1.2
103.05470	0.3
110.97533	0.2
116.98585	0.2
117.05507	2.4
119.03558	0.7
119.04939	0.2
121.06515	2.3
122.06856	0.4
136.06200	100.0
137.04591	0.3
139.75133	0.1
147.04442	0.2
158.99651	0.5
170.04152	0.6
170.54347	0.1
177.00761	0.2
179.04655	1.3
179.11763	0.2
179.54796	0.3
180.01137	0.3
186.96887	0.3
219.01701	0.2
251.57138	0.2
252.10815	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	252.1598
Annotation	Furmecyclox
Peak:m/z	Relative Intensity
53.03938	1.0
55.01863	1.3
55.05516	2.1
57.03439	0.6
62.94989	0.3
65.03946	2.6
67.05178	0.5
67.05508	8.4
68.99786	0.9
69.03426	0.7
69.07058	1.7
70.06598	29.5
71.04984	1.4
79.05505	2.9
81.03419	1.8
81.07064	9.0
82.06570	0.8
83.04981	0.7
84.08129	1.4
91.05487	3.4
93.03407	3.5
93.07048	3.6
94.06558	0.4
95.04979	16.4
95.08614	12.3
96.08954	0.4
97.10168	0.4
98.21572	0.6
98.98476	0.6
103.05492	0.5
105.04523	0.4
105.07047	3.7
107.04999	1.9
107.08579	1.0
109.02893	0.9
109.06551	0.7
109.10158	0.8
110.06062	2.4
110.06663	0.4
111.04443	1.2
112.07574	0.4
112.11268	0.4
117.07027	1.0
119.04950	0.4
119.08590	3.0
120.04435	0.6
121.02876	6.6
121.06525	3.4
121.10154	0.6
123.04424	1.6
123.08077	3.9
125.05874	0.4
129.07005	1.2
131.08565	1.1
133.06493	1.0
133.10130	1.0
135.04390	0.4
135.08054	1.1
135.11684	0.4
137.05992	0.9
137.09595	0.9
138.05510	13.1
139.03908	4.3
143.08548	1.5
145.10150	1.4
147.04414	0.6
147.08043	2.2
147.11742	1.8
149.05971	1.2
156.06567	6.0
157.05017	0.6
157.06422	0.5
157.10120	0.7
161.09654	0.4
161.13319	1.0
163.07539	0.7
164.07053	0.7
165.05473	0.5
165.09125	4.5
167.07047	0.8
171.11729	1.1
175.07596	1.8
175.11223	1.0
188.11548	0.6
189.12746	1.9
191.10841	0.3
191.14262	1.1
199.11159	0.7
205.12279	0.7
208.16963	0.4
216.10988	0.6
216.13861	0.9
217.12251	4.5
220.05885	0.4
222.55911	0.4
223.13303	1.0
234.14915	3.4
235.13286	5.9
252.09015	2.0
252.15968	100.0
253.16371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15263	0.5
53.03945	2.0
55.01866	2.4
55.05517	8.1
56.96566	4.0
57.01912	0.5
57.03442	5.8
57.07071	1.3
59.04967	0.6
60.04519	1.2
61.02929	7.7
67.05499	2.5
67.05837	0.6
68.05839	0.7
69.03432	20.6
69.07085	0.8
69.20851	2.6
69.21280	3.1
70.06591	2.3
71.05004	3.2
72.08176	1.0
73.02922	4.2
73.06561	31.5
79.05487	1.1
79.60120	0.5
81.03422	6.9
81.07068	0.6
83.01327	0.6
83.04990	1.1
84.04503	1.5
84.08147	4.2
85.02908	100.0
85.06529	0.8
86.01455	0.6
86.09709	1.0
87.04464	2.7
88.03981	0.6
91.03957	4.6
91.05484	1.7
91.07617	0.7
93.07051	1.4
94.06579	3.8
95.05006	1.2
95.08604	1.2
97.02897	22.1
98.20783	1.3
98.97598	9.0
98.98476	32.3
99.04459	4.3
100.02610	0.6
103.03967	1.1
103.05470	2.6
105.07008	0.7
106.06546	0.7
107.04992	1.2
109.02887	9.0
110.07193	1.6
110.97562	1.7
111.04453	0.8
112.99199	1.0
115.03947	1.1
116.98593	2.8
119.01879	1.4
119.04962	1.7
120.02577	0.7
120.08112	28.1
121.06512	2.9
122.06037	2.5
123.04478	1.1
123.05567	0.9
124.07587	0.9
124.99180	0.6
127.03921	19.0
128.98650	1.4
129.10269	0.9
131.00165	0.7
134.06020	2.1
136.07593	1.8
137.06007	2.4
141.05482	0.6
143.00139	0.7
145.04967	21.1
147.04420	1.0
150.05516	40.0
152.07068	3.2
155.04652	2.7
158.99675	2.0
162.53703	0.6
163.02708	0.5
163.06091	3.7
165.05580	1.0
168.06615	0.6
171.04170	1.0
172.04932	1.5
174.99234	1.1
176.99098	0.5
177.00751	1.3
179.06952	0.6
182.08205	1.4
189.04138	1.4
194.09300	3.7
195.11330	1.4
197.11774	1.4
207.12210	0.9
219.01897	0.9
221.55746	0.6
235.02817	1.3
235.10872	2.3
237.02884	0.9
239.04068	0.6
244.07870	0.7
253.03880	1.6
253.08415	5.2
253.12292	3.2
253.15752	2.1
254.16153	0.9
265.07779	0.7
271.04840	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	253.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
55.05504	1.8
63.63086	0.7
65.39506	0.7
67.05492	3.3
69.03445	1.1
69.07088	1.6
70.54841	1.7
70.55226	1.5
71.04980	2.5
79.05488	3.2
81.07066	7.5
83.08636	0.7
85.06548	1.3
91.05458	2.9
93.07040	5.4
95.08614	4.2
97.02898	1.6
97.06500	1.8
98.98466	13.3
99.04465	0.8
101.06012	0.7
105.07028	5.8
107.08578	6.1
109.06525	2.6
109.10181	3.3
111.08074	1.1
117.07021	1.1
119.08583	4.2
121.02868	6.0
121.06503	4.5
121.10148	2.2
123.11663	1.2
127.07578	1.3
129.07069	0.8
131.08566	1.3
133.10098	1.9
135.04515	0.7
135.08063	1.1
135.11725	1.2
137.09628	3.3
139.07532	1.7
143.08565	1.4
145.10130	1.9
147.08098	0.7
147.11707	6.8
149.09618	1.1
150.33954	0.7
157.10158	2.0
159.11659	0.8
161.13240	1.5
165.07112	0.9
165.12778	2.7
167.10715	0.6
171.11714	1.6
175.11172	1.9
176.98911	0.7
189.12766	1.8
193.12270	1.0
195.52484	0.7
199.11186	2.4
207.13800	1.3
217.12247	6.6
217.15860	1.9
225.09140	1.4
235.13220	6.2
235.16951	2.4
253.08777	6.6
253.14128	100.0
253.17775	3.4
253.21538	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03956	0.7
55.01867	2.3
55.05518	4.5
57.03429	1.4
57.07073	0.8
67.05510	9.2
68.99796	2.6
69.03433	1.6
69.07070	7.8
69.18459	0.5
69.54372	1.3
69.54793	2.0
71.04990	1.7
72.60112	0.4
79.05494	8.2
81.07060	34.7
83.04980	5.0
83.08617	4.2
85.06533	4.2
91.05478	8.4
93.07047	14.8
95.04987	2.8
95.08046	0.8
95.08611	11.3
97.02878	0.9
97.06544	6.2
98.21477	0.8
98.98470	10.5
99.04477	1.6
101.05991	0.9
105.07033	32.3
107.04975	1.2
107.08600	26.1
109.06522	14.1
109.10157	5.1
111.08105	2.5
113.05990	0.7
115.05495	0.6
117.07013	0.9
119.08587	19.7
121.02872	2.5
121.06508	8.1
121.10147	20.9
121.59219	0.5
123.08065	9.1
123.11714	34.0
125.05994	1.7
125.09649	0.8
127.07572	6.8
129.07005	0.9
131.08530	1.5
131.96622	0.5
133.06461	1.3
133.07434	0.5
133.10168	3.0
135.08066	3.7
135.11679	0.8
137.05983	1.6
137.09634	3.1
137.13258	2.4
139.07538	5.4
141.47292	0.5
142.07768	1.1
143.08577	1.6
145.10159	2.4
147.08099	1.2
147.11691	87.8
149.09636	0.8
149.13280	2.0
151.07610	0.8
157.10158	2.4
159.11702	0.8
161.13257	2.6
163.07553	1.8
163.11174	0.6
165.07048	1.6
165.12762	100.0
166.07755	0.5
171.11658	2.9
173.13329	1.0
175.11195	6.0
176.44046	0.5
177.12773	0.8
179.14325	0.9
181.10245	0.5
183.13818	18.9
189.12717	5.4
189.16481	0.7
191.14301	0.6
193.06531	1.2
193.12254	14.9
199.11284	2.8
199.14699	0.5
207.13795	5.8
209.15334	0.5
211.13278	1.1
217.12259	9.0
217.15759	0.8
217.19585	0.5
220.12794	0.6
221.05917	0.6
229.14354	22.2
235.13309	11.0
235.16953	2.1
238.06178	0.5
253.04727	0.5
253.08746	5.7
253.11806	0.9
253.14305	7.0
253.18153	0.6
253.21567	0.7
270.45593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05497	4.9
57.07048	1.3
59.04993	2.1
65.03924	1.8
67.05507	23.8
67.20229	1.0
69.03432	58.4
69.07059	4.3
71.04990	2.0
71.57952	1.6
73.20448	1.1
73.84303	1.2
75.04494	1.6
77.28399	1.0
79.05494	10.4
81.07060	31.2
83.04988	5.5
84.60409	0.9
85.06551	17.3
91.05474	9.0
93.07045	41.7
95.04940	3.1
95.08607	11.7
97.02843	2.0
97.06520	3.8
97.10152	1.0
98.10202	1.1
98.98470	18.1
102.02739	1.1
105.07034	26.8
105.94231	1.0
107.04906	1.7
107.08601	21.1
109.06528	6.4
109.10186	6.6
111.08085	14.9
112.94747	1.0
117.07043	1.6
119.04943	1.6
119.08598	11.8
119.29997	1.0
121.02878	11.0
121.06493	4.7
121.10148	41.4
123.08080	6.8
123.11704	1.4
125.09632	8.5
131.08582	3.7
133.06473	2.4
133.10136	28.6
135.08058	12.5
135.11720	2.9
137.06013	2.1
137.09636	5.2
139.11185	3.4
143.08554	2.3
145.10138	2.3
147.08031	1.9
147.11665	8.6
149.09628	1.7
149.13239	3.0
151.11194	4.5
157.10109	3.3
159.11685	9.3
161.09633	4.6
161.13226	2.0
163.11220	1.5
163.14731	1.6
165.12755	1.3
171.11674	2.6
173.13237	1.2
175.11205	3.0
175.14825	2.6
177.12756	26.2
177.16394	1.8
187.14793	3.4
189.12648	1.7
189.16396	3.5
195.45752	1.1
199.14825	4.3
205.15909	16.7
210.06667	2.0
217.12329	1.6
217.15897	13.8
235.13368	1.6
235.16927	35.5
239.70769	1.1
253.08667	5.0
253.17993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Elongatol A
Peak:m/z	Relative Intensity
53.03936	2.1
55.05497	4.9
57.07048	1.3
59.04993	2.1
65.03924	1.8
67.05507	23.8
67.20229	1.0
69.03432	58.4
69.07059	4.3
71.04990	2.0
71.57952	1.6
73.20448	1.1
73.84303	1.2
75.04494	1.6
77.28399	1.0
79.05494	10.4
81.07060	31.2
83.04988	5.5
84.60409	0.9
85.06551	17.3
91.05474	9.0
93.07045	41.7
95.04940	3.1
95.08607	11.7
97.02843	2.0
97.06520	3.8
97.10152	1.0
98.10202	1.1
98.98470	18.1
102.02739	1.1
105.07034	26.8
105.94231	1.0
107.04906	1.7
107.08601	21.1
109.06528	6.4
109.10186	6.6
111.08085	14.9
112.94747	1.0
117.07043	1.6
119.04943	1.6
119.08598	11.8
119.29997	1.0
121.02878	11.0
121.06493	4.7
121.10148	41.4
123.08080	6.8
123.11704	1.4
125.09632	8.5
131.08582	3.7
133.06473	2.4
133.10136	28.6
135.08058	12.5
135.11720	2.9
137.06013	2.1
137.09636	5.2
139.11185	3.4
143.08554	2.3
145.10138	2.3
147.08031	1.9
147.11665	8.6
149.09628	1.7
149.13239	3.0
151.11194	4.5
157.10109	3.3
159.11685	9.3
161.09633	4.6
161.13226	2.0
163.11220	1.5
163.14731	1.6
165.12755	1.3
171.11674	2.6
173.13237	1.2
175.11205	3.0
175.14825	2.6
177.12756	26.2
177.16394	1.8
187.14793	3.4
189.12648	1.7
189.16396	3.5
195.45752	1.1
199.14825	4.3
205.15909	16.7
210.06667	2.0
217.12329	1.6
217.15897	13.8
235.13368	1.6
235.16927	35.5
239.70769	1.1
253.08667	5.0
253.17993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2165
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
50.38556	1.2
53.03944	2.8
55.05516	61.8
55.05786	3.0
56.96562	2.4
57.03442	1.7
57.07079	17.8
59.04992	2.1
61.41016	1.2
63.22341	1.2
65.03946	1.2
67.05509	51.7
69.03442	4.0
69.07074	100.0
71.04999	7.1
71.08636	8.1
72.02291	1.2
79.05495	24.7
81.07063	76.4
83.04996	6.9
83.08624	60.2
83.09119	2.5
85.06549	9.7
85.10188	2.8
91.05486	22.3
93.07045	35.8
95.04980	2.3
95.08613	66.7
96.50231	1.5
97.02892	4.7
97.06538	9.5
97.09539	2.9
97.10175	51.5
98.98473	80.9
99.08105	5.3
101.06036	2.2
105.07043	20.0
107.08607	25.6
108.58581	1.3
109.06533	4.4
109.09458	2.4
109.10168	34.5
111.08104	7.7
111.11732	23.7
113.09671	3.5
113.45200	1.3
115.07594	1.6
116.98710	1.6
116.99518	2.2
117.07085	2.1
119.08590	24.8
121.02879	5.0
121.06552	8.8
121.10142	35.6
123.08077	5.6
123.11716	14.9
125.09631	5.4
125.13282	5.9
127.07525	3.2
129.09071	1.3
131.08553	1.9
133.10139	30.6
135.08081	2.8
135.11711	27.1
137.05994	1.5
137.09615	9.3
137.13263	10.5
139.11203	8.4
141.05464	1.9
147.11684	21.4
149.13251	5.9
151.07590	2.1
151.11203	8.8
151.14838	7.2
153.12794	7.7
155.10704	2.3
157.36882	1.4
161.13292	17.6
163.14839	2.9
165.12773	11.2
169.12241	1.9
175.14838	7.8
176.98941	2.6
177.16409	3.1
179.14363	8.9
183.13676	1.4
189.12746	3.9
189.16431	3.1
191.17987	3.9
193.12212	2.9
193.15900	3.1
193.19582	8.5
197.11784	3.0
207.17500	1.2
217.12318	2.7
217.19539	47.4
225.09030	1.4
235.13307	3.7
235.16949	2.4
235.20570	33.7
235.22771	2.4
253.08774	6.1
253.11063	1.6
253.14346	2.2
253.19678	1.4
253.21666	35.5
271.12192	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	254.1025
Annotation	1-Acetyl-N-salicyloyl-2-aminopropan-3-ol
Peak:m/z	Relative Intensity
55.02378	0.7
56.96542	1.2
58.98262	0.7
60.98218	0.6
65.03954	4.0
67.05508	0.7
69.07057	0.8
71.22725	0.6
71.57150	1.0
72.04171	0.7
81.07042	1.4
84.08128	0.9
91.05486	3.3
92.05012	9.5
93.03404	1.8
93.07055	1.1
95.05022	1.0
98.98481	1.4
107.08624	0.8
110.06072	0.8
116.04974	9.7
117.05752	3.0
118.06560	5.7
120.04475	8.3
121.06493	3.0
122.06856	1.5
130.37962	0.8
134.06039	2.5
143.40752	0.7
144.04454	73.5
146.06032	11.9
150.05510	0.7
162.05556	4.7
171.03302	1.2
172.03932	23.0
172.05406	1.2
176.07080	100.0
178.05052	2.2
178.08632	16.2
178.10097	1.3
180.06604	1.3
181.04901	0.8
189.04379	3.0
190.04939	1.4
190.13177	1.0
200.11528	1.1
204.06575	76.3
213.04475	0.7
218.12614	2.7
222.07625	8.1
231.05452	0.8
236.09189	57.6
254.08208	2.8
254.10269	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1025
Annotation	1-Acetyl-N-salicyloyl-2-aminopropan-3-ol
Peak:m/z	Relative Intensity
65.03938	5.2
65.97696	0.6
67.01823	0.5
71.56235	0.7
72.84356	0.6
78.34687	0.8
78.96486	0.6
82.21215	0.5
83.79321	0.5
89.03954	0.9
91.05467	1.8
92.05014	9.5
93.03423	1.5
98.98409	0.8
116.04985	12.8
117.05746	2.3
118.06556	3.4
120.04462	6.6
120.39820	0.6
121.06493	1.1
132.04529	0.7
134.06017	2.1
144.04459	69.1
146.06030	8.2
148.03900	0.9
162.05524	4.4
163.12512	0.7
172.03954	22.4
172.05449	1.4
176.07083	100.0
177.07503	0.7
178.05003	2.0
178.08647	14.5
180.06563	1.0
190.04796	0.9
194.08130	1.1
204.06580	73.0
214.01624	0.7
222.07643	6.9
236.09190	57.8
254.10254	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	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
56.96557	1.5
69.03420	0.5
70.06563	0.4
70.22347	1.3
81.03437	0.7
81.07069	0.3
87.04462	0.6
91.05472	2.3
93.07037	0.5
95.08591	0.3
97.02879	0.6
98.97588	1.2
98.98495	2.6
101.53883	0.4
103.05440	0.6
112.99088	0.4
116.98605	0.5
117.05795	0.8
118.06541	4.9
121.06496	2.9
134.09705	0.9
136.07561	0.7
143.00189	0.5
146.06015	19.5
147.04385	0.6
159.02885	0.4
161.01326	0.4
161.03534	0.4
162.09180	0.7
170.04231	0.6
177.97403	0.3
178.08643	30.1
179.04648	0.4
180.06570	0.6
180.10240	0.9
190.08644	3.7
192.10268	0.9
204.10306	0.5
207.08853	0.6
208.09731	1.4
209.10440	0.9
210.11278	1.5
213.04248	0.6
219.05045	0.4
222.11266	45.5
223.11934	0.8
224.09227	3.4
224.12846	0.7
254.13890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Tuberostemospironine
Peak:m/z	Relative Intensity
56.96558	1.4
59.05000	0.3
59.19180	0.2
63.73817	0.3
69.03444	0.5
69.73009	1.0
70.06607	0.5
79.05495	0.5
81.03415	0.6
84.08158	0.3
84.96024	0.4
85.02893	0.9
85.06533	0.3
91.05473	1.8
97.02908	0.8
98.97582	1.1
98.98473	1.6
105.07024	0.3
106.06547	0.3
107.08511	0.4
110.97566	0.6
114.97015	0.3
116.98656	0.3
117.05782	0.9
118.06544	5.2
124.07576	0.9
132.08095	0.4
134.09657	1.1
136.07599	0.4
137.05980	0.4
143.00241	0.4
146.06010	20.9
152.07010	0.4
158.99637	0.5
161.01254	0.5
162.09149	0.6
164.10675	0.4
167.06970	0.3
169.78770	0.3
170.91451	0.3
178.08641	29.8
180.06538	0.8
180.10211	0.8
182.05113	0.3
188.92532	0.4
190.08658	3.5
192.10156	0.4
193.83173	0.3
195.06523	0.4
204.10112	0.4
207.08917	0.7
208.09709	1.3
208.13321	0.4
209.10497	0.8
210.04613	0.4
210.11383	1.3
222.11261	45.2
223.12074	0.6
224.09213	3.0
224.12830	1.0
231.05231	0.7
249.02879	0.3
253.58296	0.4
254.13882	100.0
255.14082	0.6
267.22433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20940	0.7
55.01859	2.4
55.05494	1.0
56.96551	1.2
57.03435	4.4
57.07063	1.0
61.02916	2.9
62.43781	0.8
67.05471	0.9
69.03419	3.0
71.57561	1.8
72.34035	0.9
73.02918	4.5
75.04479	2.0
78.03457	1.9
79.05508	1.1
80.05000	1.5
83.08642	0.9
85.02927	5.9
91.03947	1.8
93.05524	1.4
97.02889	2.5
98.98444	3.3
99.04465	0.8
106.02917	5.4
115.03937	2.7
123.05560	100.0
124.03953	2.2
127.03862	1.3
133.04955	3.0
134.06030	6.2
145.04958	1.6
152.07083	14.0
169.09758	2.1
174.98524	1.2
182.99039	1.0
195.07686	2.0
201.00020	1.2
206.05595	1.0
209.09972	1.5
211.10756	1.8
237.07021	1.6
237.08998	2.2
255.06273	5.7
255.08549	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41956	0.1
55.01879	1.7
57.03185	0.2
57.03441	3.2
59.04997	0.4
61.02930	0.9
69.03439	1.5
71.01369	0.9
71.43291	0.2
73.02921	3.6
77.21212	0.2
78.03452	1.2
80.05016	1.9
85.02906	2.2
87.04460	0.5
93.33865	0.2
96.04500	0.4
97.02911	0.7
102.96960	0.1
103.03957	0.4
106.02926	5.5
115.03933	1.4
123.05562	100.0
124.03960	1.5
133.04973	2.5
228.32916	0.1
249.44031	0.2
255.06363	0.8
255.09689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01863	0.8
55.05503	1.4
56.96563	1.0
57.07062	0.6
59.69423	0.5
60.06667	0.6
65.03942	7.6
67.05513	2.8
69.03415	0.9
69.07059	1.7
69.53217	2.6
71.04990	0.5
75.04485	3.5
79.05123	0.6
79.05502	7.4
80.41922	0.5
81.03426	0.9
81.07059	3.7
83.04976	1.9
83.08635	0.7
85.02892	2.6
85.06521	0.5
91.05489	9.7
93.03415	11.4
93.07072	2.5
94.04192	2.0
95.01343	1.1
95.04974	3.5
95.05469	0.6
95.08598	1.9
97.02888	1.6
97.06527	2.1
98.97570	0.9
98.98461	3.3
99.04488	0.5
101.06030	0.6
103.05473	1.3
105.03398	6.8
105.07031	2.0
106.04172	0.6
107.04960	6.7
107.08601	1.4
108.05743	0.8
109.06522	8.1
109.10184	1.1
111.04453	4.2
111.11722	0.9
119.04919	1.1
121.01997	0.7
121.02874	13.6
121.03895	0.8
121.06483	4.8
121.10166	1.2
122.03662	1.5
123.00801	3.3
123.04456	0.7
123.05560	1.4
123.08056	1.4
123.11713	0.7
125.06014	2.8
127.03909	0.8
127.07578	1.0
129.05447	0.5
134.03648	2.8
135.04430	8.1
135.11748	1.1
137.05978	8.3
139.03894	1.9
143.07050	0.7
147.04411	1.2
149.02356	31.4
149.06007	3.2
151.03894	1.5
151.07578	1.4
153.05478	7.5
155.03432	1.4
155.13554	0.6
163.03929	15.9
166.02588	0.6
167.03413	23.8
167.07048	4.3
169.04988	1.3
169.08652	3.2
177.05513	3.8
177.09065	0.6
181.04971	100.0
191.03416	1.5
195.06549	29.9
199.05988	0.6
205.04993	1.2
209.08046	6.0
209.09665	0.7
213.07584	7.1
213.09433	0.5
223.06009	9.6
223.08128	0.6
227.06989	0.7
237.07495	3.6
240.07777	1.2
241.07083	0.6
244.58499	0.5
249.54742	0.6
255.06393	1.3
255.08624	2.4
255.10484	2.3
255.14008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05510	0.6
56.96552	0.7
57.07064	0.4
59.01369	0.5
59.04990	0.4
65.03944	6.4
67.05502	2.2
69.03432	0.7
69.07053	1.1
75.04471	1.6
79.05111	0.4
79.05502	3.5
81.07051	2.3
83.04996	1.0
85.02893	1.4
91.05485	4.8
93.03410	8.5
93.07065	2.9
94.04174	1.1
95.04981	3.1
95.08609	1.3
97.02867	0.4
97.06517	1.3
97.10143	0.4
98.98470	2.6
103.05457	1.2
105.03408	2.5
105.07060	0.6
106.04195	0.5
107.04960	3.2
107.08591	0.9
108.05751	0.4
109.06531	3.6
109.10155	0.9
111.04471	2.9
119.04960	0.6
119.08532	0.5
121.02876	13.3
121.03881	0.7
121.06506	11.7
121.10130	1.0
122.03633	0.8
122.06923	0.6
123.00808	1.2
123.05512	0.5
123.08035	0.7
125.06001	1.8
134.03625	1.4
135.04437	3.9
135.11697	0.7
137.05971	2.8
139.03897	1.5
147.04448	0.4
149.02345	28.0
149.05957	1.4
151.03870	0.9
151.07516	0.8
153.05469	4.1
155.03439	0.5
160.71724	0.4
162.98923	0.5
163.03905	7.8
167.03406	35.6
167.07033	2.1
169.04933	0.4
169.08607	1.6
177.05476	1.8
181.04964	100.0
195.06541	14.5
195.07925	0.4
199.06087	1.0
205.04935	0.6
206.72412	0.4
209.02914	1.0
209.08073	3.0
213.07625	4.0
219.21071	0.6
223.06032	7.2
232.04616	1.0
237.07564	2.2
237.18494	0.5
255.06351	0.7
255.08609	1.3
255.13748	0.7
255.17557	0.7
262.03867	0.4
271.04849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01863	0.8
55.05503	1.4
56.96563	1.0
57.07062	0.6
59.69423	0.5
60.06667	0.6
65.03942	7.6
67.05513	2.8
69.03415	0.9
69.07059	1.7
69.53217	2.6
71.04990	0.5
75.04485	3.5
79.05123	0.6
79.05502	7.4
80.41922	0.5
81.03426	0.9
81.07059	3.7
83.04976	1.9
83.08635	0.7
85.02892	2.6
85.06521	0.5
91.05489	9.7
93.03415	11.4
93.07072	2.5
94.04192	2.0
95.01343	1.1
95.04974	3.5
95.05469	0.6
95.08598	1.9
97.02888	1.6
97.06527	2.1
98.97570	0.9
98.98461	3.3
99.04488	0.5
101.06030	0.6
103.05473	1.3
105.03398	6.8
105.07031	2.0
106.04172	0.6
107.04960	6.7
107.08601	1.4
108.05743	0.8
109.06522	8.1
109.10184	1.1
111.04453	4.2
111.11722	0.9
119.04919	1.1
121.01997	0.7
121.02874	13.6
121.03895	0.8
121.06483	4.8
121.10166	1.2
122.03662	1.5
123.00801	3.3
123.04456	0.7
123.05560	1.4
123.08056	1.4
123.11713	0.7
125.06014	2.8
127.03909	0.8
127.07578	1.0
129.05447	0.5
134.03648	2.8
135.04430	8.1
135.11748	1.1
137.05978	8.3
139.03894	1.9
143.07050	0.7
147.04411	1.2
149.02356	31.4
149.06007	3.2
151.03894	1.5
151.07578	1.4
153.05478	7.5
155.03432	1.4
155.13554	0.6
163.03929	15.9
166.02588	0.6
167.03413	23.8
167.07048	4.3
169.04988	1.3
169.08652	3.2
177.05513	3.8
177.09065	0.6
181.04971	100.0
191.03416	1.5
195.06549	29.9
199.05988	0.6
205.04993	1.2
209.08046	6.0
209.09665	0.7
213.07584	7.1
213.09433	0.5
223.06009	9.6
223.08128	0.6
227.06989	0.7
237.07495	3.6
240.07777	1.2
241.07083	0.6
244.58499	0.5
249.54742	0.6
255.06393	1.3
255.08624	2.4
255.10484	2.3
255.14008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03448	2.8
59.05001	0.3
61.02925	0.5
69.03438	1.6
69.40045	0.9
69.40465	0.7
71.01350	0.6
71.78996	0.2
73.02924	1.8
78.03477	1.0
80.05029	2.0
85.02914	2.1
87.04483	0.3
92.32501	0.2
96.04454	0.3
97.02898	0.8
98.20728	0.5
106.02920	5.6
115.03938	1.5
123.05566	100.0
124.05915	0.4
130.41772	0.2
133.04974	2.6
137.86826	0.3
165.13904	0.2
166.46149	0.2
255.06427	0.5
255.09793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31161	0.2
52.88521	0.2
55.01878	1.9
56.96576	1.5
57.03197	0.3
57.03446	3.6
59.05002	0.5
61.02935	1.5
69.03424	2.6
70.06592	0.3
71.01356	0.7
71.56624	0.4
72.08152	0.6
73.02921	3.6
75.83941	0.2
78.03476	1.2
80.05029	1.9
81.03409	0.4
83.05012	0.3
85.02914	3.9
87.04480	0.6
91.03980	0.3
93.05539	0.2
94.84667	0.2
95.87315	0.2
96.04511	0.6
97.02892	1.6
98.97564	0.6
101.00883	0.7
103.03943	0.8
106.02921	5.3
109.02906	0.4
110.07170	0.3
115.03939	1.9
116.98663	0.3
119.01926	0.7
123.05562	100.0
124.03957	2.5
124.05894	0.4
127.03952	0.4
131.01903	0.3
133.04979	2.5
134.06049	2.1
137.05936	0.3
140.12706	0.2
143.01904	0.4
145.05049	0.3
146.99625	0.3
152.07066	4.6
157.03537	0.3
169.09781	0.5
177.27425	0.3
190.98639	0.6
195.07687	0.9
201.05620	0.3
204.82603	0.2
208.99699	0.8
211.10757	0.4
215.07932	0.2
223.06607	0.4
237.08789	1.8
255.06447	1.0
255.09993	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01868	1.9
55.47282	0.2
56.96571	1.6
57.03442	3.2
59.04989	0.3
61.02925	1.8
66.45545	0.2
69.03435	2.6
70.06594	0.4
71.01350	1.0
71.04996	0.5
71.56622	0.3
73.02925	4.4
74.03239	0.2
78.03461	1.1
80.05019	1.7
81.03416	0.6
84.08129	0.4
85.02435	0.3
85.02914	3.7
86.09701	0.9
87.04485	0.5
96.04494	0.6
97.02897	2.7
98.97581	2.2
98.98487	0.3
99.04462	0.4
101.00885	0.7
103.03973	0.4
106.02930	5.5
110.07181	0.7
110.97589	0.4
112.99143	0.4
115.02476	0.5
115.03953	1.6
116.98630	0.5
119.01927	1.3
123.05560	100.0
124.07613	0.7
124.99166	0.3
127.03918	1.0
131.01939	0.6
133.03461	0.7
133.04971	2.3
134.06029	8.4
136.07605	0.3
140.07056	1.3
142.01749	0.3
143.01900	0.6
145.03487	0.4
147.05083	0.4
151.08682	0.9
152.05017	1.4
152.07077	17.7
153.05699	0.3
155.01883	0.6
156.07712	0.5
157.03444	0.5
158.99655	0.4
159.05060	0.9
161.05563	1.2
168.03506	0.3
169.09752	2.3
170.99359	0.3
175.04524	0.3
177.04216	0.6
183.05170	0.4
186.04446	0.4
186.09753	0.5
189.03909	0.3
193.09772	0.9
195.07646	3.5
201.05994	0.3
208.55139	0.4
209.09964	0.3
211.10841	1.9
214.09283	0.8
221.05116	0.5
232.10408	1.4
234.05899	0.3
237.02602	0.3
237.06352	0.6
237.08696	6.4
255.06477	1.2
255.09813	7.3
255.13806	0.4
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	Russulanorol
Peak:m/z	Relative Intensity
53.03926	3.6
55.01851	3.6
55.05515	25.5
56.96544	2.7
57.03442	45.6
57.07082	4.9
59.04981	1.0
65.03918	2.6
67.05508	69.4
69.03398	3.1
69.07071	30.3
71.01363	4.7
71.04996	7.3
71.56773	1.1
79.05500	69.8
81.03428	10.1
81.07064	40.4
83.04500	1.3
83.04984	22.7
83.08634	6.5
85.02894	1.5
85.06567	6.9
91.05486	29.8
93.07049	78.2
94.78664	0.9
95.04967	8.3
95.08064	1.1
95.08617	18.1
97.06537	20.6
97.09641	1.2
97.10169	14.6
98.97552	1.7
98.98472	8.9
99.04437	2.2
99.08115	5.1
101.00865	1.2
105.04483	1.8
105.07041	8.3
107.04925	3.0
107.08602	52.1
109.06492	3.3
109.10166	10.7
111.04424	1.4
111.08065	3.9
111.11686	1.1
113.05984	0.9
113.09519	0.9
115.05460	1.7
117.07027	8.0
119.01910	2.3
119.08595	9.9
121.06532	5.6
121.10159	13.4
123.11686	2.6
124.11971	1.1
125.09587	2.4
128.06139	1.1
129.06979	2.4
130.07677	1.3
131.08514	1.9
133.10170	5.3
135.08098	2.0
135.11700	100.0
136.93112	1.9
137.09579	3.3
138.63264	1.1
143.01823	1.6
143.08565	4.3
145.10126	18.1
149.02341	1.9
149.13249	1.4
153.12674	3.9
154.94118	3.4
157.10077	2.6
159.11676	1.1
161.02898	1.7
163.11197	16.0
165.06993	1.1
167.03391	2.2
169.10088	1.4
171.11658	1.7
172.95258	1.9
175.41156	1.1
181.04968	6.5
181.12239	17.1
183.11699	2.2
190.96278	1.0
193.05066	1.0
195.06416	1.3
195.11569	1.7
199.13191	1.2
209.13229	1.4
217.14172	1.4
223.06117	1.2
228.97673	2.0
229.01990	1.2
237.16411	1.7
237.18443	1.6
244.09129	2.2
244.90750	0.9
255.06435	2.3
255.15811	79.5
255.25067	3.8
256.26294	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68663	1.1
53.03931	4.7
55.01856	3.8
55.05515	24.9
56.96542	3.3
57.03439	44.1
57.07079	6.0
65.03916	3.1
67.05506	80.8
69.03411	3.2
69.07071	27.3
69.13738	1.1
70.67523	1.1
70.72233	2.1
71.01352	5.8
71.05002	7.7
74.38368	1.2
79.05495	71.4
81.03067	1.0
81.03420	10.8
81.07058	39.0
83.04982	23.1
83.08628	8.4
85.02897	2.3
85.06554	6.7
91.04975	2.1
91.05487	31.5
93.03383	1.4
93.07048	80.3
95.04984	7.9
95.08618	16.2
97.02882	1.1
97.06535	26.2
97.10166	14.1
98.97568	4.2
98.98449	12.3
99.04428	1.8
99.08086	3.6
103.05444	1.6
105.04476	1.5
105.07037	7.5
107.04926	3.6
107.08597	52.5
109.06483	3.0
109.10152	11.6
111.08071	4.0
111.11646	2.0
113.05996	1.4
116.98592	1.5
117.07014	10.0
119.08600	12.5
121.06458	5.1
121.09386	1.2
121.10152	15.2
123.08086	1.3
123.11643	1.6
125.09608	3.6
127.03879	1.2
129.07002	1.4
130.07730	1.5
131.00117	1.4
131.08569	2.5
133.10126	6.8
135.08037	5.2
135.11700	100.0
137.09581	3.8
143.08557	1.8
145.09065	1.4
145.10144	18.1
149.02347	1.5
151.11098	1.3
153.12724	4.0
154.94106	2.0
157.10097	2.1
158.99640	1.9
159.11722	1.3
163.07451	2.7
163.11171	15.9
165.07098	1.2
167.03357	1.8
167.10603	2.0
171.11633	1.8
172.95311	1.3
175.14815	1.3
181.04973	7.2
181.12233	16.8
187.11172	1.5
194.10899	1.5
195.06491	1.7
197.13164	1.3
199.11177	1.4
199.13113	1.5
246.13013	1.3
255.06468	3.7
255.10574	8.0
255.15846	84.5
256.26361	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2321
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
50.71107	1.5
51.31820	1.5
53.03947	2.1
55.01872	2.8
55.05515	68.1
57.03431	5.2
57.07078	73.5
59.04999	2.6
67.05510	28.2
69.03426	3.3
69.07072	100.0
69.52711	7.2
69.53136	4.4
71.04990	5.5
71.08637	46.0
73.06548	4.7
79.05495	19.1
79.77814	1.8
80.88586	1.5
81.07063	59.1
83.04991	7.7
83.08624	80.5
85.06538	4.9
85.10184	23.6
87.08072	1.7
91.05459	3.6
93.07056	40.8
95.08609	44.0
97.06541	29.2
97.10175	42.2
98.98464	7.6
99.08090	3.8
101.06004	3.4
105.07042	1.9
107.08598	33.9
109.10162	22.5
111.08081	18.5
111.11707	13.4
113.09604	2.4
115.07561	6.8
121.06525	1.8
121.10159	32.2
123.11722	13.5
125.09654	16.6
125.13288	4.4
129.09129	8.7
135.11702	39.2
137.13232	11.9
139.11201	16.7
143.10722	2.1
149.13263	29.4
151.14746	2.4
153.12755	14.1
153.31792	1.5
157.12169	2.8
163.14813	25.5
167.14354	12.4
171.13860	3.7
171.17474	2.2
177.16347	5.1
181.04951	4.3
181.15892	7.9
195.17380	2.3
199.16972	2.8
219.21104	56.2
228.99158	1.5
231.22346	1.7
237.22139	32.6
255.17490	3.2
255.20988	2.1
255.23358	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	256.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82778	2.9
57.66192	2.9
69.20380	3.6
69.47124	25.4
71.40788	3.1
87.68707	3.2
94.93023	34.3
115.28816	3.8
123.05559	26.6
124.05912	10.8
125.06068	9.7
134.27512	3.6
136.94037	22.3
146.30714	3.3
148.94040	6.4
150.91969	4.4
152.93507	9.4
166.95161	4.3
176.93579	10.6
207.07779	3.5
215.72507	3.3
220.96194	15.8
238.97209	74.2
256.98267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76669	4.3
69.46523	36.0
79.31295	5.1
94.93032	33.6
96.73225	4.3
103.21348	4.7
123.05582	24.0
124.04033	4.8
124.05932	6.8
134.92448	5.3
136.94051	41.0
148.94014	14.5
152.93533	9.9
160.26192	4.3
176.93504	22.6
195.14651	4.7
220.96184	21.3
231.43616	4.4
238.97206	93.2
256.98309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01866	2.8
55.05262	1.4
55.05515	21.9
57.03447	4.8
57.07064	0.8
59.05001	1.8
65.03947	1.8
67.05505	6.2
69.03434	12.4
69.07065	1.0
70.06600	1.6
71.01357	2.3
71.04987	5.7
71.57967	0.9
79.05503	4.9
81.03429	3.1
81.07071	3.2
83.04990	100.0
83.46054	0.8
84.05322	0.9
85.02915	18.4
85.06535	1.3
87.04466	2.2
91.05479	4.5
93.07076	2.2
95.04974	18.0
95.08618	1.8
97.02897	3.2
97.06542	2.8
99.04466	5.0
101.06026	6.2
105.03428	1.0
105.07027	3.2
107.04986	2.3
109.02882	1.2
109.06528	5.6
111.04456	50.7
113.06029	6.2
115.05488	1.1
116.07132	0.7
119.04955	2.7
121.06507	7.6
123.04447	6.4
123.08084	2.3
124.89348	0.7
125.05997	2.6
127.03908	2.4
129.04422	0.9
129.05479	4.5
133.06474	0.9
134.06052	1.5
135.04424	2.5
137.05995	8.9
139.03917	2.7
141.05429	0.8
147.04425	1.8
149.05956	1.7
151.03902	7.9
151.07515	5.4
152.07076	2.5
153.05479	39.9
155.07019	1.0
157.05040	3.9
157.06168	0.8
161.05965	0.9
165.05493	37.9
165.09164	1.1
167.07062	1.1
168.02444	2.4
169.06509	1.2
175.03966	1.5
175.07582	1.2
177.05675	1.0
179.07066	3.6
183.06551	3.4
193.04945	1.4
193.08632	3.6
195.06601	1.2
197.06110	1.2
197.08047	0.9
199.06010	1.1
203.07227	1.1
207.06502	1.7
211.07623	1.6
211.09605	1.7
221.08142	2.6
225.07521	4.1
229.04990	2.5
229.08606	2.0
239.06985	0.9
239.09164	10.5
242.05791	1.4
257.04538	2.3
257.08026	4.5
257.10248	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	257.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79509	1.0
52.14120	1.1
53.03959	1.3
55.12059	1.3
58.90855	1.1
59.04751	1.6
59.05011	21.3
69.07059	1.5
69.47223	9.1
71.04986	1.3
75.75809	1.1
79.05481	2.9
81.07047	1.9
83.04985	4.2
84.59255	1.2
85.06528	1.8
91.05460	2.4
93.07026	1.3
95.04973	7.4
99.08130	1.4
107.08644	1.3
109.02901	1.7
109.06540	4.0
111.04444	5.3
111.55569	1.1
123.04412	3.4
125.02370	3.5
137.05997	2.8
139.03914	100.0
142.03165	2.1
149.02370	1.6
151.03914	32.2
153.05453	2.5
155.07036	1.8
165.05492	52.5
179.07047	1.6
181.04965	4.8
183.06564	9.3
193.04980	3.7
197.08183	1.4
199.06146	1.7
225.07582	32.9
243.08798	1.8
257.05884	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1172
Annotation	Hyperenone B
Peak:m/z	Relative Intensity
53.03938	0.7
55.01835	1.9
55.05477	1.0
57.06607	0.5
67.05483	0.9
68.83040	0.6
69.07020	0.7
69.63224	4.0
71.04969	0.6
76.95290	0.7
79.05456	2.4
80.04979	1.7
81.03382	0.8
91.05486	9.7
95.04925	1.1
98.21037	1.8
103.05460	1.4
105.07000	2.0
107.04303	0.8
107.04955	10.3
114.03683	0.7
115.05434	0.8
117.06950	2.0
119.04965	4.5
120.05723	5.3
121.06503	1.4
123.04434	1.5
126.69658	0.8
128.01637	0.6
128.06169	0.8
131.04907	3.1
133.06453	2.1
135.04373	0.9
137.05963	0.9
141.06990	2.0
142.03270	3.4
145.06468	1.3
146.07207	0.8
147.04419	1.1
152.06186	1.4
153.07065	3.0
154.07742	0.8
155.08554	3.2
157.06526	0.9
165.05559	1.4
165.06958	11.2
167.08556	1.1
168.09349	1.9
169.06438	1.8
171.08061	0.9
177.06934	1.0
178.07780	20.5
179.08487	1.5
181.06477	8.5
181.10112	1.0
182.07280	5.9
183.08025	3.3
189.06987	0.7
191.08582	2.4
192.05653	0.8
193.06471	4.2
193.10146	10.2
195.08090	3.5
196.08856	7.4
197.05998	6.1
197.09602	1.2
202.07782	8.7
203.08604	4.4
205.06499	1.7
206.07288	3.6
207.08061	1.6
209.05943	0.6
209.09634	1.9
210.06786	17.2
211.07550	7.5
211.11197	5.4
218.07436	0.6
219.08064	2.2
220.08772	0.7
221.09619	16.1
222.10428	1.1
223.07547	3.6
224.08339	9.8
226.06380	0.9
237.09146	5.6
238.09801	0.8
239.10674	100.0
257.06125	4.2
257.08368	2.8
257.11746	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	257.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	33.9
56.96545	23.1
57.07072	12.6
61.34256	7.0
67.05506	60.5
69.07068	30.0
69.79993	45.6
79.05488	27.9
80.62866	8.6
81.07059	81.6
83.05010	8.7
83.08612	24.4
88.07599	9.4
88.08896	9.0
91.05506	41.2
93.07043	34.6
95.08617	97.4
97.06500	21.3
97.10142	10.8
98.20775	16.4
98.97602	59.2
99.08020	9.0
100.86015	7.2
105.07023	35.0
107.08549	11.0
109.10164	14.2
116.98609	24.9
117.07053	50.1
119.08591	46.4
119.15689	7.1
121.10123	21.4
125.37859	8.8
129.07014	36.6
131.00125	8.5
131.08566	100.0
133.10141	48.2
134.99669	10.5
135.11673	15.1
137.13274	15.6
139.03909	24.0
141.06964	26.3
143.08553	25.5
144.02348	9.2
145.10115	86.6
146.43315	7.4
149.13150	8.9
151.03835	11.5
155.08545	22.6
157.10138	32.4
159.11671	45.6
161.13283	66.2
165.05484	13.5
169.10201	11.6
171.11678	36.5
173.13251	19.0
179.14291	45.6
179.84183	8.4
183.11681	45.0
185.13274	14.5
197.13266	29.2
199.11176	21.6
199.14775	8.4
206.51202	7.5
211.14658	9.5
225.07455	12.5
239.18045	46.1
239.87000	8.2
240.09682	16.8
257.15375	16.3
257.19098	74.8
257.21805	9.6
257.22717	11.3
257.26730	31.0
257.30267	10.9
274.97571	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	257.1903
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03926	1.1
53.90943	0.6
55.05516	4.6
56.96551	2.1
57.07076	1.6
62.66394	0.6
67.05507	7.4
69.03413	0.8
69.07074	12.7
70.10321	2.9
71.04981	2.9
73.80251	0.7
76.93878	0.7
78.64735	0.8
79.05506	4.7
80.69527	0.7
81.07070	8.2
83.04996	1.1
83.08631	2.8
85.06531	1.7
87.07349	0.6
87.51972	0.6
90.56702	0.6
91.05486	7.6
91.53336	0.6
93.07050	9.2
95.04972	1.6
95.08616	12.7
97.06538	6.7
97.10135	0.7
98.03741	0.6
98.97572	2.9
99.08091	2.3
103.05473	1.0
105.07046	10.5
107.08611	8.2
109.06533	3.4
109.10162	9.1
111.08116	1.7
114.03735	0.7
115.05465	1.7
116.98606	1.5
117.06212	1.3
117.07024	18.8
119.08575	9.0
121.06507	2.7
121.10155	16.7
121.11018	0.9
123.08067	2.5
123.11706	2.0
128.06210	2.5
129.07004	7.0
130.07800	1.4
131.08580	25.3
133.10135	12.0
135.08052	6.4
135.11743	3.8
137.09599	2.7
139.12218	1.1
141.06998	2.7
142.03258	1.5
142.07797	4.9
143.08568	14.2
144.09355	1.8
145.10132	35.6
146.10825	0.7
146.39517	0.8
147.08049	1.1
147.11705	4.2
149.09639	2.1
151.11209	1.4
154.07816	0.9
155.08553	4.9
156.09337	2.2
157.10129	20.6
158.10912	1.9
159.08104	1.9
159.10442	1.5
159.11702	21.7
160.12399	0.7
161.09593	3.1
161.13263	6.1
162.06598	0.6
163.11168	2.4
165.05534	0.7
168.09326	1.7
169.10149	7.1
170.10851	0.9
171.11688	14.3
172.12515	1.1
173.09680	3.5
173.13283	14.9
175.11171	3.0
175.14742	0.7
180.45244	0.7
182.11008	0.8
183.11694	12.5
184.12450	2.0
185.13281	5.3
186.10234	0.9
187.11166	6.3
187.14818	4.4
188.11977	0.9
189.12718	2.8
195.11729	1.2
197.13280	8.5
198.13962	1.0
199.11229	1.0
199.14851	15.1
201.12779	9.2
210.14050	1.1
211.14851	2.5
213.16411	12.7
214.17183	3.1
215.14322	2.4
215.17969	17.2
223.07016	0.6
224.15581	1.3
225.07637	1.0
227.14334	0.9
229.19499	1.3
239.17978	19.3
257.05856	1.7
257.19028	100.0
258.19299	1.3
274.97577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1903
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
51.10070	1.5
55.05501	4.2
56.96558	4.8
57.07072	2.2
67.05515	8.1
69.07077	11.9
70.33561	5.1
70.34688	1.3
71.04994	2.1
79.05484	6.2
79.45795	1.4
80.04979	1.6
81.07069	11.3
83.05000	2.0
83.08605	2.8
85.06548	2.9
88.39986	1.4
91.05481	6.4
93.07064	8.9
95.04971	2.4
95.08619	17.0
97.06553	8.9
98.21085	2.9
98.97607	9.6
99.08048	1.8
99.13628	1.4
103.05441	1.4
105.07031	12.0
107.08566	7.1
109.06527	4.3
109.10164	9.2
111.08083	2.0
116.98621	6.0
117.07040	5.5
117.62398	1.4
119.08585	11.1
121.06506	5.3
121.10149	16.1
123.04424	3.2
123.08096	1.7
123.11710	2.2
127.82728	1.4
128.06213	1.9
129.07016	4.3
130.07784	1.5
131.08611	7.9
133.10149	10.5
134.99712	2.1
135.08086	7.1
135.11708	4.8
137.09613	3.4
142.03233	2.3
142.07787	4.7
143.08537	12.0
145.10135	20.7
147.08051	1.8
147.11697	3.6
149.09618	2.3
149.13197	1.5
155.08546	4.1
156.09380	3.7
157.10147	19.1
158.10925	3.2
158.55356	1.8
159.08011	2.3
159.11714	19.4
161.09673	4.0
161.13261	6.6
163.11165	2.8
165.05406	2.5
168.09395	1.9
169.10135	5.2
171.11678	11.7
173.09566	1.8
173.13266	18.7
175.11200	2.2
183.11717	8.9
185.13290	3.4
187.11177	7.3
187.14888	3.2
189.12790	2.3
197.13199	7.2
199.14862	16.9
201.12711	10.1
209.13200	2.4
211.14925	2.9
213.16396	14.0
214.17221	5.3
215.17958	18.1
224.15643	1.6
239.17969	12.7
242.16710	1.9
256.96326	1.6
257.05884	2.0
257.15286	3.2
257.19034	100.0
257.26669	4.7
257.30280	1.6
258.27930	5.7
274.97580	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	258.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.4
57.03444	1.7
60.08173	9.6
61.02911	1.1
69.03402	1.5
70.06596	1.9
70.50435	1.2
70.50788	4.1
71.07375	1.2
71.36088	1.0
73.02912	1.6
83.94727	1.5
85.02905	4.0
86.09710	16.0
89.60370	1.4
97.02885	1.7
98.98462	2.2
101.00871	2.5
102.68766	1.2
104.10754	100.0
112.05085	2.0
119.01894	3.0
121.06497	4.5
125.00008	19.4
126.06653	21.5
131.01910	1.5
133.03539	1.7
143.01888	3.4
145.03435	2.7
155.01895	2.2
160.23624	1.2
161.02997	1.7
163.03882	1.3
167.06844	1.3
184.07314	10.5
185.02960	2.4
209.32019	1.2
210.50500	1.3
235.06758	1.6
253.07614	1.7
258.07431	20.5
258.11005	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	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59296	0.7
53.03943	0.9
55.01862	1.7
55.05511	1.6
56.05029	1.3
56.96297	1.1
56.96567	14.2
57.03434	6.1
60.04506	0.8
61.02924	4.1
69.03143	0.9
69.03441	10.0
69.07076	0.8
69.89761	1.8
69.90154	1.8
70.06596	4.6
70.99854	0.8
71.01333	0.8
71.04985	1.9
72.08166	5.6
73.02919	11.9
74.06070	0.9
81.03420	3.9
82.99852	1.0
83.04962	1.3
84.04504	3.0
84.08150	7.3
84.96033	2.0
85.02435	1.2
85.02911	13.7
85.08434	0.9
86.09719	3.9
87.04477	1.9
88.03989	1.1
89.00798	1.0
89.03926	1.7
91.05473	3.5
93.03389	0.7
95.04961	1.4
96.71917	0.8
97.02894	13.8
98.97594	19.3
99.04465	1.9
99.08124	0.8
100.02197	1.7
101.00887	7.3
107.04968	1.5
109.00520	1.7
109.02892	2.2
110.97591	3.9
111.04407	1.4
111.05547	3.1
112.99165	1.9
114.05547	2.4
115.00671	0.8
115.02431	1.8
115.03951	1.7
116.07059	1.0
116.10770	1.1
116.98623	5.7
117.03383	2.3
119.01920	9.0
119.04966	1.1
121.02878	2.1
121.06525	1.5
124.99126	2.3
125.02333	1.2
127.00725	0.8
127.03905	3.3
128.01334	1.3
128.07083	1.5
128.98599	2.3
129.03079	1.9
129.05458	1.1
129.10246	4.1
130.08609	1.2
131.00154	1.9
131.01897	2.9
131.04843	0.7
133.03488	4.1
134.99681	1.4
135.04410	5.4
137.02011	1.2
137.05959	5.7
138.99974	1.9
143.00189	4.3
143.01875	3.0
145.01761	1.0
145.02745	1.7
145.04994	1.7
146.02684	1.8
146.99597	1.2
147.04366	1.1
147.11345	0.9
155.00171	0.8
155.01869	1.2
157.03436	1.6
158.99680	4.3
161.01250	1.9
161.02948	2.4
163.01579	1.9
163.03906	19.1
164.04271	2.4
167.00182	1.0
168.05458	8.5
169.01775	1.5
169.04433	1.7
169.06273	1.2
170.99713	2.0
171.01303	2.0
172.02078	3.1
173.02948	1.5
173.04837	1.6
174.99562	0.9
175.00903	3.6
175.02557	1.3
175.04501	0.9
177.00702	2.2
177.04265	1.3
177.05949	4.0
178.04922	3.1
178.06670	1.7
179.02193	1.1
180.98042	1.4
182.99622	2.1
185.01283	1.9
187.02747	1.9
187.04494	2.8
189.00742	1.8
189.02449	5.5
191.05843	1.0
192.04666	2.6
194.99754	1.0
195.05235	1.0
197.02873	1.7
198.99207	1.5
199.02213	15.5
201.00731	2.9
203.03978	1.5
206.03334	2.8
211.02809	1.0
213.00728	2.2
215.03902	4.3
217.00090	1.5
217.01900	7.3
219.01817	3.0
220.03140	1.1
221.03281	1.1
221.05188	1.8
223.06659	1.8
224.04518	2.1
226.54788	2.0
229.03693	3.5
231.01674	4.2
231.06532	1.4
235.03078	2.3
237.02843	2.4
238.04024	4.6
238.54326	1.1
239.04460	3.4
241.00699	1.2
241.03217	7.2
247.04738	1.4
249.02803	3.6
255.01573	1.1
259.04260	100.0
259.07166	6.6
259.12970	4.4
277.02081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01860	1.1
55.05502	1.4
56.96555	1.8
57.03437	3.3
57.07070	1.4
67.05495	1.4
69.03426	4.8
69.07063	1.7
70.06597	3.1
70.15556	0.8
70.15903	1.9
71.05002	0.6
72.08134	1.4
73.02904	0.6
75.04481	0.6
78.04723	3.4
79.05489	2.4
81.03426	1.7
81.07085	3.2
83.01378	0.6
83.04963	2.1
84.08141	2.4
85.02917	3.3
86.09708	1.0
87.04465	1.7
89.03867	0.6
91.05457	1.8
93.07039	1.4
94.46709	0.5
95.04974	2.5
96.05778	0.9
96.08125	1.2
96.97008	0.6
97.02892	6.1
97.06509	0.9
98.20752	0.6
98.97586	1.6
99.04443	0.8
100.07608	1.5
100.27765	0.6
103.05450	1.5
105.03383	1.4
105.07005	0.8
106.04208	3.0
107.04948	1.4
107.08598	0.8
109.02868	1.9
109.06491	0.7
109.10144	0.9
111.04437	2.3
112.99144	1.5
114.05530	0.7
114.09174	20.2
114.09969	1.1
115.03925	1.4
115.05434	0.7
116.07114	0.9
119.04952	0.8
121.02870	0.7
121.06495	0.8
121.10143	0.8
123.00784	0.7
123.04432	9.1
123.89798	0.5
124.05206	2.1
124.99074	0.6
125.05888	0.6
127.03883	1.8
127.07567	2.2
128.06224	0.9
128.07100	1.5
128.98604	0.5
129.07001	0.6
131.00188	0.8
131.04924	1.6
132.10205	0.8
133.04961	1.0
134.03624	3.8
135.04425	4.1
135.08060	1.0
136.08397	0.7
137.02321	0.8
137.05980	6.0
138.03117	3.7
138.09988	0.6
139.03873	1.5
140.04700	8.2
141.01990	0.6
141.05476	4.4
141.06500	0.5
141.06931	0.6
142.98212	0.6
143.00148	0.8
143.04990	0.6
143.08574	0.6
149.01218	0.8
149.02312	1.1
151.03926	2.6
151.07613	0.8
152.04695	7.0
153.05469	1.9
153.07010	1.5
155.03380	1.4
155.07034	11.5
157.06531	0.9
163.03906	6.6
164.04198	0.6
164.12234	0.5
165.00706	0.6
167.07050	100.0
169.04993	1.2
169.06461	0.7
170.05757	39.2
171.08044	1.6
173.08223	0.6
175.03946	1.7
175.11166	0.7
180.28996	0.6
181.04921	1.0
181.06506	1.5
181.08598	0.7
183.04414	0.6
183.06558	1.8
184.07146	1.0
185.01262	0.6
185.05865	0.7
185.08195	0.7
187.07599	0.8
191.07025	0.7
195.08241	0.7
199.07520	1.6
199.09409	0.7
199.15189	1.1
200.10106	0.8
201.05612	0.7
202.07729	1.0
203.06946	0.8
203.08553	0.8
206.03371	0.6
213.05482	1.9
213.09113	1.5
214.14366	1.7
215.03909	0.8
215.07027	0.7
226.54388	0.6
227.07095	2.0
231.01848	0.6
231.06364	1.1
231.08275	1.2
231.10196	1.5
236.03789	0.5
241.08670	0.7
241.10689	0.9
241.16110	0.8
242.13936	2.4
249.02768	0.8
259.06058	2.2
259.07419	1.7
259.09821	7.1
259.17188	7.3
267.03986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.60337	0.9
53.72900	0.8
55.05510	5.3
56.96561	1.6
57.03443	0.9
57.07093	1.9
59.04989	1.3
59.29742	0.9
67.05515	5.7
69.07079	8.2
69.49235	5.0
69.49645	1.4
76.18384	1.0
79.05486	5.4
81.07063	8.3
83.08608	4.0
87.08566	0.9
91.05483	6.3
93.07053	13.0
95.08614	24.1
95.09229	1.2
97.06554	1.3
97.10163	1.8
98.20715	1.8
104.77316	0.8
105.07040	10.7
107.08601	21.0
107.43439	0.8
109.10157	10.0
111.08080	1.7
117.07005	2.3
119.08583	18.3
121.06505	2.1
121.10150	30.7
123.08051	2.4
123.11724	7.3
125.09595	2.9
129.07033	2.5
131.07724	0.9
131.08548	5.8
133.10144	19.3
135.08080	1.2
135.11708	7.2
137.09583	3.8
137.13187	0.9
139.11147	2.7
142.07753	3.4
143.08571	10.2
144.09354	1.7
145.10132	16.8
147.08067	1.2
147.11717	9.0
149.09630	20.6
149.13246	1.6
151.11192	2.4
155.08560	1.1
156.09386	5.9
157.10135	14.7
158.10883	1.7
159.11688	12.3
161.09616	2.2
161.13283	5.1
163.11107	1.3
165.12743	1.6
170.10925	4.3
171.11708	23.8
172.12447	1.7
173.13271	9.8
175.11136	1.5
175.14839	3.1
177.12686	1.5
183.11732	1.8
184.12569	2.1
185.13266	21.9
186.13988	1.7
187.14833	9.5
189.12738	3.7
189.16382	1.3
197.13290	1.5
198.14047	2.5
199.14812	10.0
201.16418	20.6
202.13589	1.0
203.14287	4.1
211.14871	3.5
213.16405	2.7
215.17990	3.1
217.15941	5.0
226.17149	1.9
227.16519	1.0
231.21030	2.4
241.19528	61.6
259.20596	100.0
259.28076	4.4
266.75998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.206
Annotation	Bactacine
Peak:m/z	Relative Intensity
52.00399	0.4
53.03936	0.8
55.05513	3.0
57.07076	3.6
61.28131	0.4
65.77132	0.5
67.05508	6.4
69.07076	5.9
69.57892	3.2
71.04995	3.5
79.05501	4.0
81.07061	29.7
83.04974	0.5
83.08624	1.6
85.06541	1.1
91.05479	5.2
93.07055	11.0
95.04992	4.0
95.08611	19.2
97.06549	1.3
97.10171	0.6
98.20757	1.0
99.08096	0.5
104.45146	0.4
105.03402	1.1
105.07037	8.5
105.07693	0.8
107.08604	10.0
109.06529	6.4
109.10158	8.2
111.08058	2.3
115.05441	0.6
116.00600	0.4
117.07021	2.7
119.08585	14.3
121.06575	0.6
121.10144	7.5
123.08088	1.7
123.11714	72.3
128.06223	0.9
129.01840	0.6
129.07013	1.0
130.07817	1.1
131.08575	6.8
133.10138	7.4
135.08064	14.0
135.11679	2.8
136.08823	0.8
137.09628	13.0
137.13286	0.5
139.11177	0.6
142.07744	0.7
143.08533	2.7
144.09305	0.4
145.10135	10.4
147.11717	4.7
148.49014	0.4
149.09625	3.6
149.13196	0.9
151.11205	0.7
156.09358	1.0
157.10123	4.7
159.11693	8.8
161.09656	1.4
161.13263	3.3
163.11172	2.4
163.14874	0.8
165.12766	1.3
170.10930	0.5
171.11716	4.6
173.13287	3.6
175.11227	1.4
175.14845	6.1
177.09105	0.7
177.12820	0.5
179.14369	0.8
185.13286	3.8
187.14845	1.3
189.12714	2.3
189.16388	1.7
190.13556	1.0
191.14317	1.2
199.14745	1.5
201.16389	7.9
203.14342	2.3
213.16402	7.6
215.17953	11.8
217.19548	1.6
231.17464	1.7
241.19519	4.5
259.17056	5.8
259.20584	100.0
260.20834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76484	1.3
53.03946	2.1
55.01862	2.4
55.05512	12.9
57.07076	3.2
59.04993	1.5
63.82077	1.3
67.05513	11.4
69.07073	37.2
71.05001	31.7
71.08626	2.1
71.26314	3.7
78.64686	1.1
79.05503	8.0
81.07063	22.3
83.04978	8.0
83.08630	11.2
85.06071	1.9
85.06551	25.2
85.07702	1.3
91.05490	13.4
93.07048	19.2
95.04968	4.3
95.08617	23.9
96.73327	1.2
97.06519	4.9
97.10177	1.4
99.08077	1.7
103.05438	1.6
105.03413	2.5
105.07038	29.9
107.08595	25.4
109.06541	11.7
109.10165	19.9
111.04425	1.4
111.08095	21.7
111.11688	1.8
117.07045	9.2
119.08588	65.1
121.10146	15.0
123.08055	3.8
123.11716	33.6
129.01868	3.4
129.07014	5.1
130.07819	3.8
131.08580	16.2
133.10144	38.3
135.08072	22.1
135.11726	6.4
137.09665	6.5
137.13220	2.0
142.07797	1.6
143.08583	8.3
144.09325	3.1
145.10130	38.8
147.08061	1.5
147.11697	23.0
149.09634	4.3
149.13310	2.3
151.11217	2.7
155.08572	2.1
156.09360	3.8
157.10144	14.2
159.11710	32.8
160.12485	3.9
161.09650	2.1
161.13261	42.7
163.11154	3.2
170.10960	1.5
171.11713	17.9
173.13261	10.1
175.11230	4.0
175.14836	100.0
176.15648	8.2
177.12733	5.8
177.16386	5.4
185.13257	16.7
187.14841	1.9
189.12756	4.5
189.16440	8.7
190.13513	2.7
191.14307	2.3
199.14848	5.2
201.16396	30.9
203.14316	9.7
213.16502	1.7
215.17940	5.6
217.19508	3.6
229.15990	1.8
232.21024	1.4
241.19521	17.8
259.11096	2.0
259.20596	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.206
Annotation	Bactacine
Peak:m/z	Relative Intensity
54.82533	0.3
55.05516	0.9
56.31380	0.2
56.96569	0.5
57.07078	1.2
58.06596	0.4
62.06071	0.3
67.05507	2.7
69.07076	5.7
69.80396	1.5
72.61304	0.3
79.05498	0.9
81.07057	4.4
83.08636	1.5
91.05472	1.4
93.07060	1.5
95.04976	0.3
95.08614	10.8
97.06512	0.3
97.10184	0.3
99.78785	0.3
103.05474	0.3
105.07079	1.9
107.08603	1.4
109.06510	0.8
109.10159	2.1
114.05529	0.3
117.07008	0.5
119.08606	1.0
121.06512	100.0
122.06894	0.4
123.08051	0.6
123.11676	0.7
125.13251	1.0
131.08540	0.6
133.10172	0.7
135.08060	8.0
137.09605	0.5
137.13312	0.5
143.08554	0.6
145.10114	1.0
147.08090	1.2
147.11693	0.4
149.09633	0.6
149.13287	0.3
157.10144	0.6
159.11694	0.8
161.09636	1.2
161.13304	0.4
171.11690	0.8
172.95340	0.4
173.13237	0.5
175.11220	1.1
175.14781	0.4
185.13297	0.5
189.12726	0.4
201.16438	0.7
201.46185	0.3
241.19489	0.5
244.21210	0.3
259.20587	92.7
259.28018	2.3
260.20984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.73337	3.6
55.05507	8.9
57.07072	7.6
67.05500	10.0
69.07076	40.7
70.81845	4.9
70.82175	8.2
71.04994	29.9
79.05489	9.5
81.07078	17.7
83.05001	7.6
83.08611	9.0
85.06552	21.5
91.05487	13.2
93.07050	18.5
94.55259	3.7
95.08616	22.9
97.06493	7.2
97.10141	4.4
98.91849	3.9
102.59195	3.2
105.03412	17.3
105.07031	26.3
107.08600	19.2
109.06510	8.0
109.10143	18.8
111.08084	18.7
111.11697	3.9
117.07011	6.7
119.08595	63.9
121.10139	15.2
123.11723	29.2
129.01848	5.0
129.07047	6.3
131.08543	18.2
133.10130	41.4
135.08044	18.4
135.11717	6.9
143.08539	9.4
145.10158	26.5
147.11702	23.2
149.13223	4.6
156.09303	4.6
157.10126	10.5
159.11729	37.9
161.13257	43.8
171.11719	18.4
173.13272	11.5
175.11102	7.3
175.14839	100.0
176.15567	4.2
185.13274	13.5
189.12729	9.0
189.16394	5.1
190.13589	4.4
199.14842	5.6
201.16415	24.6
203.14371	13.4
215.17957	5.8
241.19540	14.4
259.11249	8.0
259.20612	93.1
259.23602	5.4
259.24496	4.8
260.23972	3.6
284.68909	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	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03947	0.8
55.01870	0.7
55.05260	0.6
55.05516	6.3
56.96562	0.7
57.03435	1.3
57.07079	2.5
62.06089	0.7
65.03941	1.0
67.05508	15.3
69.03422	0.3
69.07072	4.6
70.67966	1.0
71.04997	1.4
71.08627	0.8
79.05498	11.4
81.07062	14.2
83.04988	0.9
83.08621	2.1
84.08129	0.3
85.06546	1.6
85.10207	0.3
91.05486	25.8
93.07050	13.0
95.04982	0.8
95.08614	9.5
97.06535	1.4
97.10167	0.9
98.97585	0.3
99.08099	1.1
103.05510	0.6
105.07037	40.0
107.04964	0.8
107.08603	7.5
109.06538	0.8
109.10153	4.2
111.04461	0.3
111.08094	0.6
113.09678	0.5
115.05502	0.7
116.98681	0.3
117.07018	9.5
119.04905	0.4
119.08588	29.5
121.06493	0.9
121.10149	5.3
123.08074	0.6
123.11727	0.9
128.06203	0.9
129.07011	5.2
130.07774	0.4
131.08569	12.9
131.41507	0.3
132.09331	0.5
133.10139	24.7
135.08069	1.0
135.11703	4.2
137.09602	0.4
141.06984	0.6
142.07799	0.6
143.08551	5.7
145.10130	12.7
146.10864	0.5
147.08049	0.5
147.11696	21.2
149.09619	0.9
149.13252	2.2
151.11125	0.8
155.08553	0.3
156.09315	0.4
157.10127	5.1
157.11310	0.5
159.11703	12.2
159.13034	0.6
161.09607	0.5
161.13269	12.6
163.07622	0.3
163.11169	0.9
163.14781	0.4
169.10144	0.3
171.11697	7.4
173.13271	6.2
175.11194	0.5
175.14836	6.0
176.75598	0.3
177.12740	0.7
183.11705	0.3
184.12349	0.4
185.13260	7.7
187.14737	1.6
189.12810	0.8
189.16368	0.6
195.96040	0.6
199.14842	3.8
201.16354	1.4
203.14287	0.5
213.16368	2.7
213.96983	0.4
215.17937	0.9
217.15985	0.8
217.19563	0.3
231.17551	0.7
231.21056	2.2
241.19521	14.7
241.27338	0.6
259.20587	100.0
259.28186	9.9
276.30637	0.3
277.11099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01873	0.8
55.05514	8.0
56.96562	0.6
57.03447	1.1
57.07076	1.8
58.07413	0.3
62.06081	0.3
65.03935	0.8
67.05507	16.0
69.03406	0.3
69.06720	0.4
69.07072	5.9
71.04984	1.3
71.08637	0.4
71.57684	0.3
77.03913	0.3
79.05495	12.8
81.07061	14.2
83.04995	0.6
83.08622	2.3
83.49894	0.2
85.06547	1.2
91.05483	30.6
93.07050	14.5
95.04968	1.5
95.08609	11.2
97.06521	1.2
97.10160	0.7
98.97559	0.3
99.08108	1.1
103.05465	0.9
104.06272	0.4
105.07034	43.6
107.04957	0.7
107.08598	7.7
109.06546	0.7
109.10164	4.1
111.08058	0.6
113.09656	0.3
115.05464	0.9
117.07023	10.3
118.07829	0.5
119.08585	31.8
121.06500	0.8
121.10149	6.0
123.08048	0.4
123.11703	0.7
125.09621	0.6
127.62305	0.2
128.06232	0.9
129.07007	5.2
130.07771	0.9
131.08575	14.3
132.09340	0.4
133.10135	27.4
135.08049	0.9
135.11691	4.3
137.09618	0.5
139.11203	0.3
142.07785	0.8
143.08571	6.2
144.09326	0.4
145.10127	13.4
146.10873	0.4
147.11693	23.2
149.09616	1.0
149.13242	2.3
151.11197	0.4
155.08524	0.3
156.09296	0.4
157.10138	5.6
159.11697	11.3
161.09619	0.7
161.13255	14.0
163.11157	1.0
163.14853	0.7
165.12712	0.3
169.10133	0.2
171.11693	7.3
172.94231	0.2
173.13260	6.1
173.14674	0.4
175.11226	0.5
175.14839	5.0
177.12762	0.8
183.11693	0.5
185.13264	7.4
185.14853	0.5
187.14806	1.3
189.12773	0.9
189.16428	0.5
191.14264	0.4
195.95799	0.4
198.13995	0.3
199.14825	3.5
201.16374	0.7
203.14326	0.7
213.16386	1.8
215.17940	0.6
217.15916	0.6
217.19685	0.2
231.17499	0.5
231.21046	2.4
239.18346	0.2
241.19516	14.1
241.27142	0.3
259.20578	100.0
259.28088	5.7
260.20905	0.5
271.49606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0308
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
56.96569	0.2
60.34098	0.1
70.08347	0.1
71.54777	0.1
71.55134	0.2
71.95223	0.1
82.99852	0.5
98.21184	0.2
98.97581	3.0
101.00887	4.7
116.98635	0.9
119.01926	4.3
122.97810	0.2
134.99829	0.2
137.02971	0.5
140.98840	1.1
158.99911	3.1
161.03061	0.1
161.64993	0.1
165.99669	0.2
175.03011	0.3
177.00963	9.2
181.01930	0.2
182.99889	1.3
189.00696	0.1
199.03049	0.4
201.00952	4.3
217.04123	2.0
219.02023	15.3
220.02269	0.2
221.01903	0.2
225.00851	2.2
225.02710	0.2
232.55869	0.1
237.98720	0.6
242.03609	0.2
243.02014	15.3
244.02165	0.2
261.03073	100.0
262.03198	1.4
263.03522	0.4
266.03564	0.3
279.00687	1.3
284.04697	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0584
Annotation	Suprofen
Peak:m/z	Relative Intensity
54.36003	0.6
57.03433	0.9
61.02926	1.0
66.91740	0.6
69.03425	2.9
69.07050	1.3
70.06571	1.0
71.04992	1.6
71.57636	1.3
81.03399	1.3
81.04546	6.0
84.04495	2.4
84.08151	1.9
85.02917	6.3
86.09708	14.4
91.03956	0.7
95.04951	0.9
97.02870	2.1
98.97588	1.0
98.98484	4.2
99.04463	8.4
99.05569	5.2
101.00906	2.9
114.05519	1.4
119.01896	2.6
121.06524	1.1
127.03932	1.4
129.04732	0.7
130.05016	1.3
133.03447	1.8
139.00038	1.3
139.03816	1.1
148.06035	2.5
169.01154	1.3
171.02710	1.7
197.12891	0.9
201.03746	2.2
205.05614	1.0
215.00406	0.9
223.06609	0.9
229.03224	20.6
229.05379	1.3
243.04756	4.8
261.05844	100.0
261.09341	10.3
261.14575	3.0
266.91458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90445	0.7
56.96571	11.2
57.03444	1.8
61.02927	1.8
69.03432	3.0
69.07076	1.9
71.04986	1.2
71.57596	1.7
72.08167	1.1
73.02927	1.6
74.97614	0.9
75.45301	0.9
81.03400	1.2
81.04539	2.9
84.04517	3.7
84.08145	5.0
84.96025	2.2
85.02903	3.0
85.08475	1.3
86.09714	28.7
86.97585	1.0
87.04446	1.4
87.10048	1.7
91.05463	1.0
97.02898	2.4
98.97594	24.8
99.04479	6.4
99.05576	2.5
101.00890	3.5
102.96912	0.8
110.97572	4.5
112.99155	4.3
113.00921	1.1
113.03475	3.1
115.02427	2.0
116.98632	5.5
119.01928	3.6
124.99142	2.2
127.02373	0.9
127.03964	1.3
128.98616	3.6
129.10301	0.8
130.05025	3.6
131.00188	2.2
131.01915	3.0
131.05411	1.2
133.01752	1.2
133.03473	2.5
134.99625	1.5
137.06006	2.1
139.00081	0.8
140.98589	1.2
143.00148	5.1
145.01712	0.9
147.05005	0.9
147.07666	2.2
147.65903	0.8
148.03865	2.2
148.06062	3.0
148.08063	2.1
155.00140	2.1
155.01924	2.0
157.03503	2.0
158.08119	0.9
158.99699	5.4
159.05019	2.0
161.01216	3.0
161.02948	2.1
161.05908	0.8
163.04419	1.0
170.99649	2.6
171.02719	1.5
171.05051	3.2
173.01257	3.0
173.02946	1.6
177.00751	2.4
179.05669	1.1
189.00735	2.5
189.06146	1.7
191.02251	2.4
192.61826	0.8
195.04825	2.1
201.00760	2.8
201.03802	2.4
203.04059	1.8
208.04964	4.7
211.10704	1.1
214.10175	0.9
219.01823	9.5
221.05080	3.2
229.03246	27.3
231.06978	1.0
237.02878	5.9
243.02385	0.9
243.04625	4.0
243.13474	1.8
245.03523	0.8
260.58539	2.8
261.03094	7.3
261.05844	100.0
261.09415	53.2
261.14352	3.0
261.19946	2.0
278.96768	1.1
279.01010	1.4
279.03995	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0969
Annotation	Lamiridosin A
Peak:m/z	Relative Intensity
53.03940	5.4
53.76114	1.8
55.01860	3.9
55.05499	2.9
56.96568	6.5
57.03428	2.4
65.03923	2.3
67.05494	8.3
69.03429	6.4
70.13568	7.9
71.04982	6.6
79.05486	5.5
81.03419	4.8
81.07050	6.8
83.04970	4.9
84.08123	3.4
85.02895	8.7
86.09704	7.2
91.05478	13.8
93.07047	10.4
95.04969	63.3
97.02901	11.8
97.06535	3.3
98.97602	17.4
98.98438	6.0
103.05461	6.4
105.07028	3.0
107.04935	2.8
107.08609	2.2
109.02828	3.0
109.06518	9.3
110.97591	3.0
111.04417	5.3
111.08100	2.3
113.05994	4.5
115.03931	2.6
116.98609	4.8
119.04923	6.6
121.06505	33.7
122.06790	2.4
123.00798	8.5
123.04417	26.1
123.08051	13.9
124.05228	2.0
125.02355	99.9
125.03272	4.9
127.03927	3.9
127.07577	3.2
128.98605	2.6
129.07065	2.1
131.08543	2.4
137.05978	19.7
139.03900	91.7
139.07523	5.0
141.01805	5.7
141.05429	9.3
142.06516	4.0
143.00169	4.7
145.07602	3.8
147.04375	4.7
147.08060	2.1
151.03909	45.0
156.09332	3.7
158.99608	5.6
159.04483	1.9
161.01237	2.7
163.03882	4.1
165.05490	34.1
167.03386	11.1
169.05013	10.2
169.06319	3.1
170.06023	14.2
171.11664	4.2
173.05974	5.0
175.07527	4.9
177.00658	3.3
179.04698	3.2
181.04962	3.3
183.06555	8.0
188.07076	15.8
193.04973	8.2
197.08122	2.6
199.11217	9.7
201.05457	2.9
210.05565	2.1
211.06018	100.0
212.08952	2.1
215.07066	2.5
215.10651	3.0
217.12186	4.7
219.01784	2.3
221.03314	2.5
225.05824	2.8
225.07617	28.8
229.07018	17.4
233.08096	2.0
237.02655	2.7
239.04373	6.3
243.08591	5.5
261.07501	3.4
261.08908	2.5
261.11127	10.4
261.15433	2.4
281.05463	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	261.1101
Annotation	DIHYDROPTAEROXYLIN
Peak:m/z	Relative Intensity
50.72612	3.3
65.05956	3.9
69.99841	18.2
80.39423	4.2
98.20965	8.9
185.53656	3.4
229.03268	5.0
243.96872	4.0
261.05960	27.2
261.11008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01871	4.2
55.05505	5.8
57.03437	4.6
60.04519	2.7
61.02933	4.3
67.05511	6.8
69.03432	22.2
69.07065	6.7
71.01337	3.3
71.04996	4.6
71.55871	2.2
71.56293	3.0
73.02932	2.1
74.98285	1.9
79.05500	26.3
79.35319	1.5
81.03429	15.6
81.07061	100.0
83.04985	20.6
83.08641	1.9
85.02908	24.9
85.06547	5.4
86.09711	6.5
87.04467	1.9
91.05492	8.3
92.09223	1.9
93.07051	11.0
95.04973	8.4
95.08617	4.7
97.02905	10.7
97.06535	5.4
98.97589	4.3
99.04462	7.5
99.08090	15.3
102.05543	2.3
103.03947	2.9
105.07046	7.1
107.04967	5.1
107.08598	6.6
109.02905	4.2
109.06529	11.6
109.10178	4.3
111.04453	2.9
111.08092	7.7
117.07008	2.7
118.82569	1.8
119.04967	1.9
119.08607	5.0
121.06484	6.4
123.04459	3.9
123.08069	11.7
125.06057	2.1
127.03927	6.7
129.06992	2.8
131.08586	4.4
132.10220	5.5
133.10156	3.9
135.08073	3.9
137.06033	1.9
137.09575	3.0
139.07555	1.8
141.09084	3.1
143.08578	3.2
144.08073	3.8
145.04993	3.5
145.06505	2.3
145.10023	2.2
147.04428	3.4
147.08127	3.6
151.11211	4.1
153.09122	1.9
161.09636	4.7
165.09090	4.0
173.09636	3.2
177.09180	5.8
188.07062	2.5
189.09103	3.0
207.10243	4.4
219.01735	4.0
225.11214	6.0
237.02867	5.4
243.12311	6.9
261.15283	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	261.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00328	1.9
53.03935	5.7
55.01865	7.7
55.05510	10.7
57.03428	6.7
57.07077	2.8
59.04987	1.9
61.02940	4.6
67.05512	11.7
68.28345	2.3
69.03436	44.8
69.07077	10.0
70.84973	1.7
71.01350	4.6
71.05003	33.2
71.55989	4.1
73.02900	2.4
74.16484	2.1
79.05497	14.8
81.02973	3.2
81.03419	33.0
81.07067	28.2
81.39457	2.1
83.04987	58.9
83.08647	2.9
85.02907	35.3
85.06559	13.3
86.09699	4.5
87.04452	3.6
91.03990	2.2
91.05491	20.3
93.07062	21.8
93.82620	2.0
95.04973	19.7
95.08608	18.8
97.02895	27.1
97.06555	10.7
98.97585	5.4
99.04457	9.0
99.08091	13.3
101.02333	2.3
103.03947	7.1
103.05469	4.5
105.07043	31.4
107.04969	6.6
107.08601	13.3
109.06528	18.4
109.10185	4.4
111.04437	4.1
111.08093	9.8
115.03890	4.3
115.05444	5.6
117.07022	16.0
119.04910	4.1
119.08597	11.3
121.06524	8.9
121.10190	2.7
123.04426	6.2
123.08077	13.4
125.05981	4.1
127.03899	6.9
128.06242	6.8
129.05515	3.6
129.07021	8.3
130.07774	7.7
131.08562	18.6
133.06476	6.4
133.10141	5.0
135.04536	2.0
135.08080	9.4
137.09676	2.8
139.07578	3.3
141.06972	3.0
141.09155	2.6
142.07800	4.3
143.00200	2.9
143.08569	11.1
144.09375	3.4
145.04959	4.9
145.06485	5.1
145.10135	26.7
147.08032	12.2
147.11678	3.5
149.02417	2.6
149.09595	5.2
151.11108	3.5
153.09116	2.2
155.08592	7.7
156.09346	4.6
157.06468	3.8
157.10146	5.1
158.07332	7.5
159.08092	9.4
159.11696	8.1
161.09619	8.8
163.07553	4.4
165.09148	6.9
165.12810	4.1
167.08614	2.8
171.08084	6.3
171.11674	5.3
173.09633	75.0
173.13124	2.6
175.07510	6.9
177.09171	10.0
177.12752	4.5
179.10715	2.7
182.11043	3.2
183.08229	2.7
183.10226	4.1
183.11687	3.0
187.11226	7.8
189.09122	9.8
189.12794	2.4
191.10680	8.2
195.07877	4.5
195.10176	3.3
197.13318	2.6
201.12811	8.8
207.10191	6.9
215.14288	5.4
225.11212	7.8
226.66689	2.0
231.13962	4.8
243.14172	14.9
259.58398	2.4
261.14920	100.0
278.50400	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1485
Annotation	Isosericenin
Peak:m/z	Relative Intensity
50.54976	1.9
53.03936	3.6
55.01889	5.3
55.05504	5.1
56.96562	2.4
57.03425	4.0
61.02919	3.0
67.05496	8.8
69.03438	20.5
69.07071	8.0
69.38929	14.9
71.05002	27.2
73.02910	2.7
73.04133	2.2
79.05495	10.8
81.03423	20.4
81.07056	22.2
83.04990	29.3
83.08630	2.2
84.08138	2.4
85.02911	24.3
85.06548	3.6
91.05489	16.6
91.26411	1.9
93.07061	11.1
95.01350	2.1
95.04971	8.6
95.08607	5.4
97.02912	18.6
97.06532	3.9
98.06033	2.1
98.97584	6.3
99.04456	4.6
99.08111	4.3
103.03906	4.9
105.07043	23.1
106.25829	1.8
107.04958	6.7
107.08620	11.7
109.06523	8.1
111.04420	2.2
111.08093	4.9
115.05450	5.0
116.98586	2.2
117.07008	15.9
119.04919	3.6
119.08579	9.7
121.06522	5.3
121.10204	3.0
123.04413	2.9
123.08080	9.0
127.03899	4.0
128.06223	5.8
129.07008	11.1
130.07784	7.7
131.08578	13.1
133.06506	4.3
133.10123	7.2
135.08086	6.3
135.11691	2.8
135.98486	2.4
137.09659	3.5
139.07568	3.0
141.09079	2.8
142.07806	2.6
143.08566	11.5
144.09395	2.5
145.04970	3.7
145.06483	7.4
145.10147	27.5
147.08067	8.7
147.11705	4.7
149.09634	3.3
151.03947	2.4
151.11147	4.2
155.08591	6.2
156.09300	3.3
157.06499	2.8
157.10072	3.5
158.07283	7.5
159.08076	8.4
159.11702	10.6
161.09671	3.3
163.11215	2.6
165.09131	2.2
165.12845	4.9
171.08098	6.7
171.11678	6.4
173.09645	69.3
173.13348	3.1
175.07576	9.1
175.11232	3.7
177.09145	3.9
177.12833	3.6
183.08110	2.7
183.11646	3.8
187.11192	9.6
189.09154	8.2
189.12755	3.7
191.10692	11.5
195.08055	2.0
197.13295	4.2
199.11197	2.9
201.12807	5.7
207.10187	3.3
215.14378	5.6
225.11115	4.5
243.13962	20.3
261.14914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1851
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
55.05500	2.0
56.54851	0.8
56.86402	0.9
56.96541	0.9
57.07061	1.1
67.05505	3.7
69.07056	3.0
79.05502	4.5
81.07061	6.4
83.08606	1.2
91.05489	4.5
93.07055	8.9
95.08606	8.0
105.07024	6.0
106.88414	0.9
107.08598	11.7
109.10169	5.7
117.07043	1.5
119.08588	12.7
121.10154	7.8
131.08606	4.5
133.10141	5.1
135.11725	3.9
145.10124	15.5
147.11687	3.1
149.13313	2.0
159.11732	10.5
161.13261	3.0
172.48119	0.8
172.94162	1.0
173.13264	5.3
177.09073	1.2
177.16345	0.9
179.10706	1.0
186.14142	0.9
187.14818	1.5
201.16440	1.1
215.17969	100.0
217.19559	1.6
241.43430	0.8
243.21101	3.3
261.13000	2.9
261.18506	42.1
261.22083	10.0
261.24454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.185
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
51.32335	0.5
55.05499	2.1
57.07050	0.6
65.54870	0.5
67.05493	2.5
69.07052	2.0
69.18604	0.6
70.58029	1.3
70.58385	1.1
79.05490	2.9
81.07060	3.8
83.08620	1.3
84.07390	0.5
91.05480	2.4
93.07050	5.1
95.08615	5.9
98.21410	0.6
105.07019	4.3
107.08606	11.1
109.10150	3.8
111.08044	0.8
117.07011	2.0
119.08586	11.8
121.10149	4.9
123.11692	0.8
131.08595	5.7
133.10114	4.1
135.11685	2.2
137.09641	0.6
145.09042	1.0
145.10127	14.0
147.11670	2.6
149.02318	0.8
151.07462	0.6
153.09108	0.9
154.04584	0.5
159.10455	0.8
159.11696	10.9
161.13234	1.4
172.12531	0.5
172.27135	0.5
173.13295	4.9
177.09111	1.5
186.14056	0.8
187.14815	1.8
193.12251	0.9
215.17958	100.0
217.19472	0.9
243.17401	0.7
243.21083	2.0
260.47449	0.6
261.12918	3.4
261.18503	44.9
261.21909	2.3
270.13910	0.6
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
50.46751	0.9
53.82093	0.8
55.05511	8.3
57.07071	1.8
61.32773	1.0
67.05501	8.2
69.07087	6.0
70.75440	2.6
79.05499	8.8
81.07064	11.5
82.94794	0.9
83.08622	17.9
86.29599	1.1
91.05476	8.9
93.07051	25.9
95.08616	21.8
97.06490	1.6
97.10178	2.2
98.97538	1.4
105.07034	10.7
107.08601	55.4
109.06483	1.6
109.10161	33.6
111.08100	1.1
117.07000	3.1
119.07803	1.6
119.08593	23.8
121.10153	54.5
123.11737	6.6
131.08571	9.8
133.10147	16.4
135.11703	41.5
135.12544	0.7
137.13248	2.0
143.08588	1.1
145.10138	13.6
147.11707	13.9
149.13257	3.7
153.12668	2.0
158.10899	2.0
159.11714	12.6
161.13268	8.6
163.14825	2.0
165.12788	1.6
171.11639	1.4
173.13278	24.3
174.14005	1.0
174.82523	1.1
175.14835	4.1
177.16377	1.4
179.14336	1.3
185.13293	1.9
187.14841	20.1
189.16383	6.9
191.14284	2.0
192.32489	0.9
199.14975	1.0
200.15640	1.4
201.16357	3.9
203.17972	2.8
205.15874	2.0
213.16266	1.2
215.17966	29.2
216.18298	1.2
217.19681	1.4
219.00945	1.0
228.18756	1.3
232.12294	1.0
241.12560	1.0
243.21097	100.0
261.18634	9.3
261.22156	92.0
262.22397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01859	0.8
55.05267	0.6
55.05512	9.9
55.63498	0.5
56.96560	0.6
57.03431	1.2
57.07076	3.0
61.95294	0.5
65.03934	1.5
67.05508	30.1
69.06723	0.6
69.07074	9.3
70.35170	1.7
71.04984	1.8
71.08630	0.8
74.93509	0.6
77.03931	0.8
79.05499	44.1
81.07063	37.2
83.04987	0.9
83.08627	6.6
85.06539	3.0
91.05483	18.5
93.07051	61.5
95.04958	2.8
95.08614	28.7
95.09245	1.1
97.06517	2.7
97.10196	0.9
99.08091	2.4
105.07040	13.3
107.08602	41.7
109.06546	0.8
109.10165	12.6
111.08057	2.0
111.11728	0.7
113.09640	1.1
117.07015	5.1
119.07787	0.9
119.08588	12.0
121.10149	35.2
123.08051	1.5
123.11712	3.5
125.09629	1.0
131.08580	11.6
133.10138	12.1
135.11703	28.7
137.09608	0.9
137.13278	1.7
139.11111	0.6
145.10132	12.0
147.11693	9.5
149.09650	0.6
149.13266	22.9
151.11197	0.9
151.14748	0.9
153.12703	0.7
159.11688	8.7
161.13264	9.3
163.11292	0.5
163.14835	16.1
165.12785	1.5
173.13274	8.4
175.14857	4.5
177.16440	4.1
179.14287	1.4
187.14832	7.5
189.16458	1.0
201.16391	2.2
205.16013	0.7
215.18022	3.0
217.19545	0.8
233.22606	0.8
243.21100	26.9
261.22153	100.0
273.79080	0.5
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	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03945	2.5
53.94913	0.4
55.01868	0.7
55.05515	9.5
57.03428	0.8
57.07076	2.8
65.03934	1.2
67.05508	30.7
68.85369	0.4
69.05862	0.5
69.06723	0.7
69.07070	9.3
70.88977	0.9
71.05006	2.1
71.08638	0.8
71.20163	0.4
77.03911	0.5
79.05497	40.5
81.03413	0.9
81.07061	36.2
83.04991	0.9
83.08617	6.0
85.06530	2.2
91.05483	20.0
93.07049	53.5
95.04963	1.9
95.08611	27.4
97.06548	2.8
97.10155	2.0
98.97668	0.4
98.98462	0.9
99.08102	2.9
103.58263	0.4
105.04522	0.9
105.07036	13.3
106.04133	0.4
107.08601	36.2
108.37930	0.5
109.06522	1.7
109.09457	0.9
109.10159	12.2
111.08096	2.2
111.11716	0.7
113.09642	1.0
117.07026	5.0
119.08588	13.1
121.06474	0.6
121.10149	33.0
123.08046	1.4
123.11731	3.4
125.09673	0.9
131.07584	0.8
131.08563	12.1
133.10135	10.7
135.08060	0.7
135.11699	27.2
137.09627	0.8
137.13246	2.1
139.11176	0.7
145.10126	11.8
147.11694	8.8
149.02313	0.5
149.09560	0.7
149.13268	21.0
151.11172	0.9
151.14819	0.6
153.12823	0.7
159.11693	8.8
160.51852	0.5
161.11967	0.8
161.13275	9.6
163.11163	0.8
163.14827	17.4
165.12825	1.4
173.13281	8.7
175.14816	3.4
177.16397	4.4
179.14299	1.5
187.14827	6.6
189.16348	1.1
201.16432	2.3
205.15877	0.9
215.17969	1.7
219.17351	0.6
233.22600	0.9
243.21097	27.5
261.22153	100.0
273.51440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.62663	0.4
51.02374	0.6
53.03944	2.2
55.01874	0.5
55.05265	0.5
55.05517	9.3
56.96571	0.4
57.03442	1.1
57.07085	2.9
65.03952	1.2
67.05511	31.4
69.06720	0.7
69.07076	10.0
69.88329	2.4
71.05002	2.0
71.08633	0.8
77.03935	0.8
79.05499	40.9
81.07063	37.2
83.04987	0.5
83.08625	6.1
85.06541	2.7
91.05489	21.6
93.07051	56.0
95.04980	2.1
95.08614	27.1
97.06550	2.0
97.10170	2.5
99.08094	3.1
103.05537	0.5
105.04532	1.0
105.07038	13.7
107.08604	36.7
109.06515	1.0
109.10162	12.1
111.08083	2.7
111.11739	0.8
113.09631	0.9
115.05442	0.5
117.07030	5.1
119.08592	12.2
121.10153	35.3
121.58348	0.4
123.08077	1.6
123.11722	3.7
125.09698	0.6
131.08577	9.3
133.10133	11.8
135.11700	27.1
137.09621	1.0
137.13245	1.2
139.11269	0.7
145.10136	12.6
147.11694	9.2
149.13271	20.0
151.11163	0.8
151.14870	0.5
153.12805	0.6
159.11707	7.5
161.13271	9.1
163.11246	0.5
163.14824	16.9
165.12749	1.2
173.13278	8.1
175.14838	3.7
177.12842	0.8
177.16383	4.1
179.14291	1.4
187.14830	6.1
189.16487	0.5
201.16350	2.3
205.15918	0.9
215.18011	6.2
217.19630	0.5
219.17459	1.0
233.22632	0.6
243.21104	25.3
244.21303	0.5
261.22159	100.0
262.22403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	2.5
55.04097	0.8
55.05513	7.6
56.96539	1.2
57.03434	1.1
57.07068	2.5
64.25021	0.8
65.03927	1.8
67.05508	27.4
69.03432	0.9
69.06773	0.8
69.07076	8.8
71.04978	1.9
71.08634	1.2
71.57104	0.9
79.05497	34.9
81.07059	31.7
83.08612	6.1
85.06546	2.4
91.05483	15.9
91.06023	1.7
93.07049	48.7
95.04985	3.1
95.08612	24.3
97.06525	3.1
97.10161	1.6
98.97607	1.4
99.08096	2.8
105.04520	1.9
105.07043	13.6
107.08601	32.6
108.92537	1.1
109.06533	1.5
109.10162	9.3
111.08096	1.2
117.07043	5.2
119.08577	10.5
121.06496	1.3
121.10149	28.3
123.08051	1.3
123.11705	3.5
131.08574	10.6
133.06468	1.2
133.10133	9.4
135.08066	1.5
135.10684	1.3
135.11707	21.4
137.09608	1.2
137.13290	1.2
145.10144	10.7
147.11705	9.5
149.02336	0.8
149.09589	1.5
149.13263	18.1
151.11165	1.6
157.10112	1.0
159.11705	8.5
161.13280	8.8
163.11121	1.0
163.14838	12.5
173.13274	8.9
175.14803	3.1
177.16408	3.2
187.14847	4.3
189.16422	1.7
190.95274	0.8
199.14868	1.0
201.16351	2.6
203.10173	1.0
215.17935	2.9
215.36752	1.0
217.19501	0.9
233.22639	0.9
243.21092	24.6
255.37253	1.0
261.13095	1.9
261.18793	3.0
261.22147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02386	0.8
53.03938	2.4
55.01854	1.1
55.05265	0.8
55.05514	12.6
56.96555	1.1
57.03432	1.5
57.07080	4.0
60.86250	0.5
65.03934	1.7
66.45325	0.5
67.05509	38.4
69.06731	0.7
69.07073	12.1
69.90690	1.0
69.91096	2.5
71.04982	2.4
71.08630	1.7
71.09001	0.6
74.99836	0.6
77.03919	0.8
79.05498	51.2
80.71124	0.5
81.03428	0.6
81.07061	48.1
83.05009	1.1
83.08612	6.8
85.06554	3.8
91.05486	26.1
93.07049	69.4
95.04961	3.1
95.08611	35.8
97.06544	4.0
97.10148	2.5
98.97555	0.8
99.08101	3.4
103.05469	0.6
105.04519	1.4
105.07034	18.7
107.08600	43.5
109.06513	1.9
109.09458	1.0
109.10164	15.1
111.08071	2.9
113.09663	1.3
117.07016	6.7
119.08584	15.3
119.09441	0.8
120.09444	0.5
121.10148	41.3
123.08051	2.4
123.11726	4.7
125.09599	1.2
131.08577	13.9
133.09103	0.8
133.10139	14.4
135.08061	0.8
135.11697	31.5
136.92171	0.6
137.09608	1.7
137.13232	1.3
139.11200	1.1
144.09422	0.6
145.10132	15.9
147.11699	11.0
148.49289	0.6
149.02388	0.7
149.13264	26.0
151.11127	1.0
151.14874	0.7
153.12741	0.9
159.11702	10.4
161.13263	12.8
163.14825	18.6
165.12801	1.1
173.13272	10.4
175.14859	4.8
177.12791	0.7
177.16400	6.2
179.14273	1.4
187.14833	7.2
189.16335	1.3
191.14423	0.8
191.18010	0.7
201.16385	2.6
203.17993	0.8
215.17963	8.0
219.17470	1.3
233.22636	0.9
241.12778	0.7
243.21101	29.9
261.13013	1.7
261.22153	100.0
273.59863	0.6
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	4,5-(methanoxyethano)isolongifol-4-ene
Peak:m/z	Relative Intensity
50.18200	0.9
50.32391	0.9
53.03937	2.7
55.05308	0.9
55.05515	10.8
57.03436	1.5
57.07060	3.3
58.70646	1.0
65.03927	1.7
67.05507	33.1
69.07080	12.0
71.04992	2.7
71.08607	1.1
79.05498	43.8
81.07057	39.0
83.04996	1.3
83.08636	5.8
85.06530	4.3
91.05485	23.0
93.07051	66.7
95.04972	2.8
95.08616	28.6
97.06532	2.3
97.10148	3.9
99.08108	2.2
105.04507	2.1
105.07032	15.9
107.08600	44.5
109.06529	1.6
109.10169	13.3
111.08073	2.3
111.93675	1.0
113.09666	1.5
117.07053	5.9
119.08584	14.7
121.10148	38.7
123.08054	1.6
123.11723	4.8
129.06927	1.0
131.08589	12.7
133.10164	10.9
135.11699	26.6
137.13246	2.0
139.11099	1.4
145.10143	15.5
147.11691	11.4
149.13260	20.1
151.11075	1.1
159.11700	10.8
161.13261	8.6
163.14828	14.9
165.12799	1.4
173.13242	10.6
175.14793	3.2
177.16411	4.4
179.14253	1.0
187.14882	5.9
197.22374	1.0
201.16360	2.3
205.15878	1.2
215.17957	30.4
229.18985	1.2
243.21091	27.0
261.13055	3.3
261.18637	9.6
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	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03934	1.8
55.01873	0.9
55.05513	8.7
57.03435	1.3
57.07073	3.2
65.03951	0.8
67.05508	31.7
69.06720	0.6
69.07074	8.2
70.80944	0.9
70.81300	0.5
71.04992	1.6
71.08636	1.4
72.09788	0.4
77.03942	0.8
79.05498	41.5
81.07062	36.7
83.04980	1.0
83.08624	5.6
85.06548	3.0
86.27321	0.4
87.57055	0.4
89.61443	0.4
91.05488	20.1
93.07050	53.5
95.04982	2.3
95.08611	26.6
97.06545	2.6
97.10177	1.6
99.08094	3.4
105.04529	1.2
105.07037	14.8
107.08601	36.0
109.06538	1.1
109.10172	11.2
111.08086	1.9
111.11709	0.5
113.09651	1.1
117.07011	5.5
119.08585	12.1
121.06575	0.5
121.10151	34.7
123.08063	1.2
123.11700	3.1
125.09631	1.1
129.07040	0.7
131.08578	11.8
133.10133	10.8
135.11703	26.7
137.09636	1.6
137.13260	1.5
139.11156	0.5
145.10133	12.1
147.09892	0.5
147.11696	9.7
147.12782	0.7
149.13268	23.7
151.11191	1.2
153.12817	0.5
159.11703	8.7
161.13268	9.7
163.14836	17.2
165.12773	1.3
173.13280	7.9
175.14842	3.3
175.40829	0.4
177.12775	0.6
177.16406	5.3
179.14249	1.3
187.14821	6.4
191.14330	0.5
201.16383	2.3
203.74519	0.4
205.15944	1.1
215.17970	2.0
215.44562	0.4
217.19527	0.5
219.06073	0.4
219.17500	0.8
233.22694	1.7
243.21101	28.4
261.22156	100.0
262.22440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05519	11.2
57.03414	1.3
57.07056	3.4
65.03921	1.8
67.05508	9.5
69.07057	5.9
71.49677	2.6
74.03302	1.4
74.06054	1.2
79.05498	8.6
81.03376	1.2
81.07069	8.9
83.04961	1.3
83.08619	24.5
84.48039	1.3
85.02901	2.0
91.05474	9.6
93.07046	25.4
95.08613	17.6
97.06508	2.3
98.21049	1.4
99.04442	1.3
99.05567	1.6
105.07043	13.5
107.08598	51.7
109.09480	2.1
109.10167	36.9
111.08100	1.7
117.06989	2.9
119.08586	24.2
121.10143	60.8
123.11677	9.8
131.08580	9.4
133.10146	16.1
135.10683	2.8
135.11694	44.4
137.08180	2.3
137.13277	2.1
143.08543	1.6
144.09305	1.5
145.10135	12.5
147.11714	14.0
149.02332	4.6
149.13222	4.7
157.10063	1.8
158.10846	1.6
159.11737	11.0
161.08255	2.0
161.13232	10.7
163.14880	1.5
165.12752	1.6
173.13251	27.2
174.13939	1.8
175.14813	4.4
179.09315	1.6
179.14322	3.0
185.13292	2.3
187.14822	19.6
189.16371	7.8
191.14313	1.5
199.14796	1.8
200.15572	2.1
201.16380	4.8
203.18028	1.6
205.15898	2.5
211.75940	1.3
215.18086	2.4
217.19403	1.7
219.13615	1.3
220.93343	1.3
243.21092	100.0
261.12994	4.2
261.22141	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	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07548	1.2
54.43386	1.2
55.05510	11.0
57.07069	2.3
67.05504	5.6
69.03426	1.8
69.07056	5.0
69.41191	1.2
70.21023	2.8
70.21413	2.2
79.05506	7.5
81.07056	9.7
82.05331	1.4
83.08627	21.0
85.02898	1.7
85.06496	1.6
91.05490	7.0
93.07051	24.8
95.08620	16.7
97.06532	2.8
105.07031	10.4
107.08605	53.1
109.10165	33.6
117.07001	2.3
119.08582	21.6
121.10155	58.1
121.11035	2.8
123.08007	2.2
123.11707	10.8
131.08580	9.4
133.10150	14.1
135.11700	38.4
137.08270	1.4
145.10124	9.5
147.11716	14.0
149.02319	4.3
149.09491	1.3
149.13245	4.0
157.10136	1.9
158.10957	1.4
159.11716	13.1
161.08224	2.2
161.13295	8.0
173.13272	25.9
175.14876	5.2
179.14319	1.9
185.13257	2.2
187.14819	21.4
189.16376	7.8
191.14334	2.1
200.15633	2.2
201.16409	4.4
203.17934	1.4
205.15897	3.5
213.16389	2.6
214.17267	1.5
215.17924	1.2
228.18790	2.3
243.21106	100.0
261.13022	6.3
261.22159	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64665	48.8
101.00866	12.1
139.03558	10.1
161.02966	15.8
183.18025	10.2
200.47855	10.1
263.01636	100.0
263.06091	12.4
263.08975	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81208	5.3
70.48574	12.7
79.18590	5.3
85.02943	6.6
143.01878	22.0
161.02992	24.3
173.02989	13.1
198.60797	6.0
263.01682	100.0
263.07385	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	263.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
64.11877	0.6
69.03428	0.7
70.79945	1.5
73.02966	0.6
85.02882	0.9
98.97598	1.1
121.06441	0.8
129.65013	0.7
209.01103	0.7
243.05162	1.4
245.07970	0.9
263.08945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0915
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
53.03933	4.8
55.01859	9.2
56.96552	3.0
57.03419	2.1
62.44631	2.1
65.03942	2.4
67.01867	4.9
67.05473	3.1
69.03423	6.3
71.31091	4.6
73.80994	2.0
79.05469	8.2
81.03426	60.0
81.07088	3.9
85.02911	71.3
91.05492	21.5
93.07056	4.7
95.04948	5.8
97.02910	27.7
98.97572	4.5
99.04422	4.1
100.13961	2.6
103.05471	21.3
105.07050	12.7
107.04946	4.3
109.02874	4.0
111.04435	18.7
115.05471	14.1
116.06252	2.7
116.98669	2.8
117.06980	7.8
119.04962	15.5
119.08600	4.1
121.06522	19.4
123.04449	46.7
127.05360	2.7
128.06229	23.1
129.07024	35.8
131.04930	23.7
131.08571	10.9
133.06448	8.7
135.04391	9.9
136.05191	3.1
137.05991	100.0
141.07001	15.9
143.04921	4.7
143.08553	15.9
144.05666	3.8
145.06483	11.0
146.05963	6.5
146.07063	2.5
147.03368	3.9
147.04422	45.4
147.08047	4.4
149.05989	38.9
151.07581	12.3
152.06154	6.4
153.06984	22.1
155.06032	2.8
157.06500	26.5
158.99603	2.5
159.04417	3.0
159.08061	13.2
160.05179	9.2
161.05994	22.9
163.03893	12.8
163.07515	4.1
165.04175	3.4
165.05486	50.0
167.04826	2.9
167.07054	24.4
169.06532	11.0
171.08063	24.5
173.06000	21.2
174.06706	11.3
175.07564	53.9
177.05522	22.4
177.09087	8.2
181.04979	3.3
181.06482	25.7
184.05205	3.9
185.06018	20.7
187.04236	7.0
187.07576	30.6
188.07069	8.9
189.05469	14.4
189.09102	13.1
191.06993	9.4
197.05952	7.3
199.07568	44.2
201.05418	7.2
202.06300	3.0
203.07010	25.9
205.08636	47.5
209.05908	4.2
215.06992	7.7
217.08597	37.1
218.23792	2.4
227.07053	35.4
233.08051	10.0
245.08115	99.9
263.09189	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0917
Annotation	Terrestrol E
Peak:m/z	Relative Intensity
54.43155	1.3
55.01864	4.4
57.03409	1.7
65.03939	2.0
68.99820	2.1
69.03428	3.5
71.05005	1.8
71.55822	2.7
76.92828	1.4
79.05489	3.4
81.03423	9.2
81.07047	3.6
85.02428	2.7
85.02911	37.3
91.05487	8.1
93.07024	3.4
95.04961	3.1
97.02388	1.4
97.02905	11.7
98.97562	3.7
103.05488	7.9
104.05309	3.6
105.06998	6.5
107.04952	7.6
109.02864	3.9
109.06478	1.6
110.03727	1.9
111.04448	19.1
115.05438	5.6
117.07002	5.4
119.04929	6.9
119.08536	2.5
121.06535	13.1
121.10125	2.0
123.04449	51.2
128.06253	23.2
129.05536	1.8
129.07019	33.1
131.04951	12.0
131.08586	2.7
133.06465	3.7
135.04391	5.8
136.05199	3.9
137.05991	69.0
141.06960	5.0
143.04942	2.9
143.08549	13.5
144.05698	1.7
145.06508	9.5
147.04422	26.4
147.08028	6.4
149.06007	13.3
152.06166	4.8
153.07005	23.0
155.06042	4.2
157.06514	28.6
158.99727	2.8
159.04430	3.3
160.05199	8.9
161.05997	12.7
163.03911	13.4
163.07544	3.0
165.05486	17.0
169.06487	2.1
171.08099	18.5
173.06003	16.3
174.05356	2.3
174.06761	15.6
175.07573	56.3
177.05499	13.1
177.09134	2.2
179.07037	1.8
181.05019	1.9
181.06487	20.6
184.05180	3.9
185.05977	10.8
187.03828	2.5
187.07539	4.8
189.05496	3.3
189.09145	7.4
191.06966	7.2
197.06053	2.7
199.05763	2.8
199.07556	43.2
201.05484	4.3
202.06291	2.6
203.07004	12.0
205.08623	6.0
209.05934	3.6
217.08609	23.6
219.06543	3.6
227.07071	27.7
233.08029	3.2
245.08115	100.0
263.09131	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0917
Annotation	violaceol i
Peak:m/z	Relative Intensity
53.03958	0.7
55.05494	0.4
67.05513	0.6
69.03420	0.8
69.78611	0.4
71.56009	0.5
71.56371	0.4
79.05479	1.8
81.07055	0.9
82.66547	0.4
84.21507	0.3
91.05479	1.4
91.06028	0.4
93.07034	0.7
94.04173	0.8
95.04968	1.4
97.02909	0.7
103.05444	0.6
105.07028	0.7
107.04962	1.0
107.08598	0.4
109.06526	1.1
115.05479	0.5
117.07015	1.5
121.06506	3.2
121.10178	0.4
122.03630	1.7
123.04360	0.4
125.59040	0.5
128.06218	0.6
131.04930	1.4
133.06590	0.4
137.05965	1.3
143.08571	0.4
144.05652	0.6
145.06511	2.7
146.07271	5.5
147.04399	1.0
147.08047	0.7
149.09644	0.6
151.07533	1.2
155.07043	1.5
158.07275	1.8
159.04384	0.9
159.08104	1.0
160.05196	0.6
161.05949	0.9
162.06775	1.4
165.05490	34.4
165.06656	1.3
172.05087	0.5
173.06001	1.2
174.06799	8.5
175.03941	2.0
175.07512	0.4
177.09131	24.1
189.05492	0.7
189.09117	3.7
190.06259	11.4
191.07164	0.5
205.08618	44.6
217.08627	6.6
245.08136	1.5
263.09167	100.0
273.13300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	Trixol
Peak:m/z	Relative Intensity
50.57621	1.2
53.03937	2.0
55.01869	2.6
55.05507	1.4
58.35135	1.0
67.05491	3.8
67.88097	1.1
68.95515	1.0
69.03432	9.9
69.07034	1.1
71.09707	2.3
79.05489	6.7
81.07072	6.6
83.04983	2.9
85.02888	3.9
87.04481	1.7
91.05491	10.7
93.07043	6.4
95.04990	5.2
95.08586	2.6
97.02886	4.2
97.06533	15.0
98.97553	1.6
103.05455	2.1
105.07040	11.8
106.58486	1.2
107.04961	2.3
107.08598	14.5
109.02886	4.0
109.06528	5.0
109.10143	1.7
111.04465	8.7
113.02366	5.0
115.05458	3.1
117.07014	5.2
119.01953	1.5
119.08572	9.1
121.06518	7.8
123.04441	6.5
123.08078	3.5
128.06210	5.4
129.06996	4.3
131.04884	2.2
131.08595	5.3
133.06474	4.2
133.10101	2.7
135.08060	100.0
137.06007	6.9
139.03966	1.2
139.07520	2.1
141.07002	3.8
142.07767	5.2
143.08527	5.1
144.09320	2.5
145.06474	3.7
145.10098	2.5
147.04355	1.7
147.08089	8.4
149.05981	3.8
149.09610	2.3
151.07501	1.4
155.08607	2.1
156.09395	8.6
157.10146	7.5
158.07271	1.7
159.08098	8.0
159.11694	9.9
160.08833	2.1
161.05972	4.7
161.09619	4.4
163.07533	3.4
165.05566	1.5
165.06964	3.1
165.09143	2.8
166.07739	2.7
167.08514	1.4
168.09338	2.1
169.06450	2.8
169.10059	1.5
171.08072	3.4
171.11671	7.4
172.08820	6.0
173.09631	10.8
173.13304	1.5
174.06758	3.0
175.07605	5.5
175.11191	4.5
179.06931	1.2
179.08655	1.3
181.10095	3.0
184.08800	4.2
185.09618	4.6
187.07605	3.0
187.11198	27.3
188.08289	2.7
189.05502	2.0
189.09010	2.5
189.12711	3.1
191.08600	2.6
192.09392	1.5
197.09621	1.7
199.07550	3.2
199.11189	19.1
199.13055	1.4
202.07817	6.4
202.09612	1.5
203.06963	1.3
203.08585	10.8
203.10677	30.9
205.08591	2.1
207.45233	1.2
212.08342	5.4
215.10666	22.4
217.08681	2.7
217.12227	18.2
219.08043	3.6
220.08786	5.0
227.10712	16.5
231.08003	7.9
232.06848	1.4
232.08864	5.1
233.08040	3.7
233.11734	18.9
235.07510	2.3
245.08110	2.0
245.11743	55.4
247.07468	1.8
248.08398	8.0
263.06998	5.8
263.10599	31.4
263.12906	18.3
263.15930	2.1
263.16537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1282
Annotation	Pentalenolactone E
Peak:m/z	Relative Intensity
53.03921	1.5
55.01870	4.8
55.05505	4.1
56.96567	6.8
57.03398	1.4
57.07065	1.7
65.03940	1.7
67.05506	13.7
69.03426	3.8
69.07066	6.2
71.04995	2.3
71.56882	1.5
79.05500	10.5
81.03435	1.5
81.07061	16.1
83.04972	1.8
83.08635	2.2
85.06545	2.1
91.05470	11.0
93.07046	10.9
95.04976	2.3
95.08603	13.4
97.02895	6.0
97.06517	1.5
97.10177	1.6
98.97568	9.7
99.04441	1.3
103.05482	2.5
104.99278	19.8
105.07032	26.7
107.04989	1.3
107.08621	7.0
109.06472	1.7
109.10160	9.2
111.04474	2.3
115.05449	4.9
116.98637	1.9
117.07027	10.0
119.01917	2.0
119.04922	2.0
119.08587	5.0
121.06490	3.6
121.10159	6.5
123.08051	1.4
123.11703	4.7
128.06226	19.2
129.07001	17.6
130.07762	3.3
131.00177	1.8
131.08568	5.1
133.06488	5.3
133.10138	5.1
134.99660	1.2
135.08083	1.4
135.11690	3.4
137.13248	2.5
141.06984	5.0
142.07787	28.6
143.01898	1.6
143.08560	100.0
144.09346	3.6
145.06488	2.8
145.10130	22.0
147.06772	1.0
147.08072	3.7
147.11726	2.0
149.06009	1.7
149.13246	2.5
157.10136	63.8
158.99641	2.8
159.08066	2.3
159.11702	10.6
161.02966	3.4
161.09631	5.6
161.13316	1.5
165.05463	2.5
165.06985	1.2
165.09084	1.5
167.07178	1.3
167.08583	3.9
169.06447	2.3
169.10138	1.8
170.07251	4.1
171.08046	48.5
173.01184	2.6
175.11191	4.8
175.14819	1.8
177.00720	1.9
185.09624	48.3
187.07544	4.8
187.11192	4.4
189.09108	29.9
201.09221	1.5
203.03969	2.7
203.10666	19.9
207.79305	1.2
211.48770	1.3
213.09116	31.0
217.12268	16.6
219.13750	1.6
231.10118	8.8
242.09859	2.6
242.60069	1.7
244.99750	1.5
245.11726	18.0
245.15459	1.5
245.18942	1.5
245.22665	2.5
248.12053	1.4
263.08841	2.5
263.12711	8.0
263.16562	7.2
263.20056	5.4
263.23737	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	263.2008
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
52.69005	2.8
55.05508	12.4
57.07054	3.1
63.68262	2.9
67.05509	9.0
69.07077	23.7
71.04994	3.1
71.58293	3.7
79.05499	9.6
81.07084	14.6
83.08620	16.0
91.05479	10.4
93.07043	31.7
95.08608	36.0
97.10172	3.4
97.86024	3.0
99.08057	3.8
104.99280	6.0
105.07053	28.6
107.08597	30.4
109.10184	17.0
119.08585	34.8
121.06528	2.8
121.10155	93.7
123.08051	5.9
123.11725	9.1
133.10121	42.7
135.11726	17.9
137.09656	3.7
139.07558	3.2
147.11722	34.4
149.13268	7.0
153.09137	5.7
161.13271	21.9
162.65874	2.7
163.14922	3.4
165.09114	6.6
167.10742	4.8
175.11258	2.7
175.14832	5.6
179.10677	6.6
181.12241	8.9
193.12268	5.9
203.17970	100.0
207.13773	7.9
217.19530	43.3
219.21100	8.1
227.22961	3.2
235.20586	4.1
245.19032	7.3
263.08835	3.2
263.14084	3.4
263.16962	4.0
263.20062	63.3
263.23178	4.4
263.23730	3.6
271.92001	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	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05505	11.8
57.07070	6.9
67.05521	22.6
69.07079	23.1
69.79834	16.6
79.05502	10.2
81.06599	3.1
81.07068	57.6
81.07531	6.4
83.04936	3.4
83.08613	8.5
91.05476	8.5
92.42275	2.7
93.07056	35.3
93.65910	3.1
94.35928	2.7
95.08619	63.1
97.06496	3.4
97.10166	7.6
98.20837	6.1
104.88617	2.7
105.07052	17.0
107.08598	30.6
109.10159	45.4
111.11679	3.8
113.09666	3.8
119.08579	11.2
119.13715	3.2
121.10154	100.0
123.11721	27.8
133.10109	12.7
135.11702	19.8
137.13260	15.1
147.11679	5.4
149.13287	22.2
161.13272	7.8
163.14815	23.8
169.35576	3.8
175.14836	14.7
181.15855	3.2
189.16373	17.6
203.17902	6.1
205.19504	7.1
228.95978	3.2
233.55817	3.0
245.22665	50.6
251.37129	2.5
263.23776	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	263.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29922	1.2
51.86522	1.5
52.24247	1.3
53.03954	2.1
55.05511	16.9
57.03436	1.5
57.07077	12.1
62.94808	1.4
65.03941	3.5
67.05506	80.3
68.91575	1.8
69.07066	19.1
71.05023	1.8
71.08630	6.6
79.05492	23.1
81.07056	100.0
83.04996	2.8
83.08613	16.8
85.06564	3.6
85.10186	3.9
91.05484	16.2
93.07047	25.5
94.07346	1.6
95.05016	2.6
95.08607	91.2
95.62523	1.3
96.08974	1.4
97.06507	8.8
97.10180	9.1
99.08109	5.8
104.99280	24.5
105.07018	11.6
107.08592	17.0
109.06552	2.5
109.10154	47.4
111.08116	3.5
113.09686	1.6
119.08584	14.2
121.10139	21.4
123.08087	3.9
123.11696	20.2
123.12430	1.9
129.83766	1.5
133.10103	15.4
135.11694	13.3
137.09648	1.9
137.13242	10.5
139.11189	1.7
141.12747	1.6
147.11702	11.0
149.13278	12.2
151.14818	8.8
155.14288	1.7
159.11722	1.5
161.13254	14.1
163.14816	9.8
165.16408	12.7
175.14835	7.7
177.16432	1.8
179.18059	5.1
189.05559	1.6
189.16417	2.4
211.90002	1.5
217.19560	2.6
219.23067	1.5
245.22664	42.8
263.23837	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03955	1.9
55.05515	13.0
56.96561	1.8
57.03444	1.5
57.07081	10.8
65.03936	1.9
67.05507	84.0
69.07068	14.7
71.05000	2.2
71.08632	6.1
71.58987	1.0
79.05500	20.7
81.07060	100.0
83.04974	1.8
83.08623	13.5
85.06557	3.7
85.10190	3.0
91.05485	16.6
93.07044	24.8
95.04969	1.5
95.08611	85.7
96.50894	0.7
97.06527	8.3
97.10173	7.6
98.97572	1.3
99.08092	4.4
104.99282	14.1
105.07042	10.1
107.08599	13.4
109.06528	1.4
109.10161	43.4
111.08083	4.6
111.11724	2.0
113.09660	2.8
114.43029	0.7
119.08583	11.8
121.10152	17.2
123.08055	2.7
123.11714	20.4
125.09648	1.2
127.11171	1.8
133.10130	17.0
135.11681	11.8
137.09607	1.6
137.13255	8.6
141.12778	1.8
145.10078	0.9
147.11688	12.1
149.13264	7.3
151.11185	1.0
151.14818	7.7
155.14349	2.0
161.13268	10.7
163.14824	7.2
165.16417	10.7
167.14322	1.1
175.14850	8.1
177.16420	2.1
179.17964	5.1
181.15904	2.0
189.16458	3.8
198.98991	1.1
199.06441	3.3
203.17969	1.8
207.17575	1.0
217.07460	1.8
217.19472	1.5
221.19000	0.9
229.92223	0.9
245.12013	0.9
245.22662	36.9
262.98224	0.9
263.23706	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03950	1.6
54.32052	0.5
55.01881	0.5
55.05259	1.0
55.05518	15.0
57.03443	1.6
57.06819	0.9
57.07079	11.3
65.03949	1.7
67.05509	83.3
69.07076	15.5
69.61188	3.2
71.05007	1.4
71.08638	7.0
79.05500	20.0
81.07062	100.0
83.04997	2.1
83.08626	15.1
85.06551	4.8
85.10172	3.2
91.05483	17.1
93.06465	1.2
93.07056	24.0
95.04972	1.3
95.08614	86.6
97.06543	7.2
97.10170	8.8
98.21492	0.6
99.08119	4.8
104.99284	4.1
105.07044	11.7
107.08595	12.5
109.06529	1.2
109.10165	42.1
111.08095	3.5
111.11746	1.2
113.09654	2.8
119.08583	10.5
121.10150	18.0
123.08097	2.7
123.11717	18.7
125.09653	1.2
125.13339	0.6
127.11166	1.2
133.10149	14.0
135.11719	9.3
137.09653	1.7
137.13295	6.8
139.11150	0.7
141.12755	2.1
147.11693	10.1
149.13264	6.9
151.11186	1.1
151.14850	6.2
155.14294	1.3
161.13260	10.4
163.14848	7.0
165.12730	1.1
165.16399	8.9
167.14285	0.9
175.14827	7.9
177.16383	1.7
179.14302	0.6
179.17938	4.2
181.15901	1.6
189.16408	4.0
203.17986	1.7
217.19548	1.5
245.19986	0.8
245.22668	32.6
263.23718	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	13.2
57.07075	11.8
62.18668	1.9
66.81586	2.0
67.05509	80.1
69.00089	1.8
69.07072	17.0
69.85729	10.6
71.08638	9.9
79.05499	21.4
81.07062	100.0
83.08624	15.1
85.06549	3.7
85.10191	3.1
91.05486	18.6
93.07053	24.8
95.04943	2.2
95.08612	80.8
97.06525	10.0
97.10162	8.2
99.08096	6.8
104.99273	10.8
105.07062	13.3
107.08617	16.8
109.06503	3.3
109.10159	43.8
111.08088	4.5
113.09641	2.4
116.65205	2.0
119.08585	15.9
121.10143	16.7
123.08049	4.5
123.11703	22.9
127.11181	3.2
131.08556	2.2
131.79150	1.8
133.10136	18.2
135.11726	9.8
137.09612	3.0
137.13277	9.8
141.12775	2.1
147.11720	14.9
147.12726	2.7
149.13271	10.4
151.14815	9.8
157.96678	1.8
161.13264	13.1
163.14789	9.8
165.16391	13.7
175.14816	11.0
179.17943	5.4
189.16431	3.8
217.19534	9.7
245.22630	38.8
263.16312	2.5
263.20151	9.2
263.23706	82.9
263.26572	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	265.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50603	0.6
51.42489	0.5
52.53477	0.5
53.00310	1.4
53.03957	1.4
55.05516	0.8
57.07084	0.8
59.77946	0.5
67.05527	1.3
69.03431	1.5
69.17911	6.1
72.24821	0.6
79.05501	8.6
81.07059	1.0
83.04978	3.8
89.03926	6.1
91.05479	2.5
93.03398	0.7
93.07043	2.2
95.04997	1.7
98.21490	1.6
105.07039	2.2
107.04963	14.1
107.08599	3.8
109.02890	1.6
109.06536	1.8
111.04437	2.8
111.08064	0.9
113.06061	0.7
117.03391	11.8
117.07024	1.5
119.08598	2.0
121.02888	1.7
121.06509	4.5
122.07174	1.6
123.08050	1.0
125.09618	0.7
131.08598	1.7
133.10141	0.7
135.04428	29.4
135.08044	7.4
137.06020	0.7
139.03883	0.9
144.09288	0.6
145.02853	13.3
145.03995	0.9
145.06544	1.2
145.10120	1.1
147.08054	1.2
149.02348	4.1
149.09668	1.7
153.05540	0.7
153.09071	0.7
158.10896	0.8
159.08078	1.4
159.11728	2.1
161.09583	0.8
163.03918	83.4
163.07562	4.5
163.11223	1.6
172.08859	1.2
173.09685	1.2
173.13269	3.6
181.05026	3.9
186.10390	1.2
187.11188	7.5
191.03404	100.0
192.03760	0.9
201.12703	4.5
205.04985	3.6
205.12233	1.8
209.04463	7.0
217.84602	0.6
219.10229	0.7
219.13808	1.5
223.06032	50.3
229.12273	5.9
247.13310	10.2
265.08746	0.7
265.14459	1.4
266.09940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24839	0.4
57.03429	0.5
58.99860	0.8
59.66800	0.4
61.02934	0.5
69.03429	1.0
70.60677	1.2
70.99852	1.4
73.02904	0.5
75.76043	0.3
77.00887	0.5
80.05754	0.4
82.99839	6.4
85.01402	0.6
85.02876	1.2
89.00925	0.6
97.01392	1.0
97.02891	0.6
98.20876	0.5
98.21432	0.4
101.00890	44.0
103.00649	0.5
103.02439	0.6
104.10762	0.7
113.00871	2.4
115.02441	4.0
117.04040	0.7
119.01927	31.1
121.06474	0.4
124.02454	0.4
127.02441	3.9
127.03928	0.5
129.03964	0.7
131.01915	2.5
133.03485	4.2
137.02937	1.4
139.02414	8.0
142.03473	0.5
143.01913	16.6
144.02052	0.6
145.01701	0.8
145.03462	9.2
155.01866	0.6
157.03481	28.7
161.02968	13.5
163.02776	1.0
163.04527	6.1
169.03459	1.2
173.02972	1.0
175.02974	0.8
175.04535	9.9
180.05167	0.4
181.05630	2.4
184.05777	1.0
187.04543	0.8
205.03865	0.7
205.05582	13.4
223.06647	40.4
241.07697	6.7
246.08267	0.9
247.06750	2.6
248.53590	0.4
265.07712	100.0
266.08023	0.6
266.15942	1.6
285.97617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64868	0.3
56.96555	1.6
57.03435	0.7
61.02923	0.5
68.98287	0.4
69.03430	1.0
70.06589	0.6
70.18729	0.4
70.33032	1.2
70.99838	0.6
71.04977	0.4
73.02930	0.8
77.00924	0.5
80.05008	0.4
81.04535	2.8
82.99835	4.9
83.00291	0.5
85.01432	0.5
85.02892	1.8
86.98432	0.4
97.01404	0.6
97.02894	1.1
98.97582	4.8
101.00887	32.4
103.00635	1.4
110.97586	0.4
112.99088	0.6
113.00878	1.6
115.00668	0.6
115.02432	3.2
116.98615	1.1
119.01924	27.4
121.01666	1.0
122.07154	20.1
123.29576	0.4
127.02444	3.1
129.03979	0.6
131.01912	1.6
133.01633	0.7
133.03470	3.4
133.06253	0.4
137.02963	1.2
139.02396	5.5
143.01909	14.7
144.04791	5.0
144.98111	0.5
145.01649	2.3
145.03487	6.2
155.01857	0.5
157.03473	22.7
161.02968	12.0
163.02672	3.1
163.04529	3.3
169.03369	0.9
173.02934	1.1
175.02890	0.8
175.04518	9.1
181.05548	1.3
184.04741	0.5
187.04541	1.6
191.04482	1.1
193.03806	0.4
205.00278	0.6
205.03856	0.9
205.05585	9.9
223.06631	18.5
230.53639	0.4
237.99042	0.4
241.07716	2.9
247.06638	4.0
265.07709	100.0
265.95135	0.4
266.07858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1073
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
51.02373	0.9
61.87185	0.8
64.20234	1.0
69.53775	4.2
69.54194	2.0
74.49159	0.8
79.05489	1.9
81.03413	2.1
81.07087	1.2
91.05468	3.6
93.07042	1.2
95.08604	1.1
97.02885	1.0
103.05484	5.0
107.04932	1.8
109.02869	1.9
115.05456	22.0
117.07024	46.0
119.08598	2.7
121.02834	2.0
122.07166	1.0
122.62632	1.1
126.74067	0.9
127.05416	1.5
128.06215	2.0
129.07005	3.7
130.04182	2.1
131.04959	2.3
131.08580	1.3
132.05731	1.1
135.04359	2.1
144.05690	1.9
145.06490	81.3
147.08051	4.2
155.06062	15.1
156.05714	18.7
157.06494	3.8
159.08070	3.2
160.05183	2.6
161.05988	3.5
163.03932	3.9
167.07030	2.3
172.05243	1.2
173.05994	100.0
174.06665	1.5
175.03929	1.2
175.07552	3.3
177.05367	1.3
181.05031	1.7
184.05084	2.0
187.07460	4.4
190.06265	36.5
190.08000	1.7
191.03360	6.0
202.06273	4.3
203.07036	15.2
205.08607	94.2
215.07161	1.3
217.08609	56.7
219.10231	1.8
222.06766	2.6
223.06039	2.2
223.09474	1.2
224.09181	1.7
233.05992	2.1
235.07413	1.5
235.09605	9.4
237.09024	1.2
247.06070	1.1
247.09641	4.2
250.06227	2.3
265.08597	10.1
265.10934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Scytalol D
Peak:m/z	Relative Intensity
53.03939	1.6
55.01857	7.1
58.05787	1.7
61.02918	4.4
69.03426	11.4
69.59869	12.6
73.02909	3.6
79.05495	3.9
81.07034	4.5
85.02905	2.5
88.83627	1.8
91.05477	14.8
93.07037	5.1
95.04964	2.5
95.08595	4.6
97.02890	41.3
97.03938	1.6
103.03937	2.3
103.05466	3.4
105.07040	14.2
107.04948	4.8
109.06525	1.9
111.04418	3.0
115.05457	13.7
117.07014	11.8
118.06554	1.9
119.08603	4.0
121.06513	21.3
122.07151	8.1
128.06229	23.9
129.07002	20.9
131.04916	8.9
131.08582	18.4
132.05760	2.2
133.06500	31.8
137.05946	2.7
139.95090	1.7
141.06975	14.1
143.08556	11.0
144.04744	2.3
144.05746	9.7
145.06473	19.5
146.05986	3.1
147.04446	2.9
147.08051	14.9
149.05980	10.2
151.07549	92.7
152.06213	2.2
153.06979	10.0
154.07742	3.0
155.06042	4.5
155.08574	15.2
157.06512	39.0
158.07294	12.9
159.08061	57.9
161.05962	2.9
161.09631	4.4
163.07523	2.8
165.05469	4.9
165.06992	5.8
167.07030	6.3
169.06494	9.6
169.07765	2.3
170.72063	1.5
171.04436	3.4
171.08058	37.0
171.09514	2.4
173.05991	4.1
173.09612	3.2
175.07555	81.9
179.07062	1.8
181.06406	3.3
183.08008	14.2
183.09419	1.4
185.05983	18.3
186.06744	7.5
187.07553	50.3
188.07037	3.5
189.09146	5.5
193.06474	1.8
196.65198	2.0
199.07547	28.3
201.09108	15.9
203.07014	11.8
205.08551	8.7
211.07518	7.4
217.08621	100.0
219.90140	1.9
229.08549	52.3
235.09665	93.1
247.09682	80.5
247.11700	1.3
265.10699	42.1
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
53.03955	2.5
55.01878	9.3
55.05495	2.4
56.96579	2.4
57.03436	2.9
58.30403	0.9
61.02911	4.3
63.93847	1.2
65.03941	1.5
67.05494	4.4
68.99803	1.4
69.03426	10.1
69.45815	8.4
70.06578	1.8
71.01341	3.3
71.05000	2.6
72.08138	1.9
73.02911	4.1
79.05496	6.0
81.03408	3.1
81.07078	5.7
82.64623	1.1
83.04980	3.4
84.08145	1.4
84.96039	1.2
85.02908	4.7
85.06551	1.7
86.09675	2.0
91.04974	1.5
91.05489	19.0
93.07043	6.0
95.04955	3.5
95.08623	6.6
97.02287	2.3
97.02895	43.1
98.97586	4.2
101.76891	1.1
103.03931	3.6
103.05463	5.5
105.07031	16.7
107.04963	5.9
107.08575	2.4
109.02864	2.3
109.06516	3.3
111.04439	2.5
112.95305	1.0
115.05466	12.1
116.06260	2.7
117.07018	13.5
117.63718	1.0
119.01888	1.2
119.04954	1.7
119.08572	8.8
120.08109	28.0
121.02880	2.5
121.06507	22.4
122.07163	12.2
122.75807	1.1
123.08053	1.2
127.03931	1.1
128.06236	22.5
128.98540	1.3
129.07013	25.4
130.07791	1.0
131.04912	9.1
131.08563	20.6
132.05698	2.1
133.06494	26.5
133.10127	2.6
135.04382	1.5
135.08076	3.8
135.09995	2.3
137.05974	9.1
137.09537	1.1
139.07434	1.1
141.07011	16.7
142.07727	1.4
143.04909	1.3
143.08556	12.4
144.04749	2.2
144.05705	13.1
145.06480	20.5
145.10072	3.0
147.04405	4.6
147.08047	14.3
147.11700	1.3
149.05971	3.9
149.09653	1.5
151.07547	82.7
152.06161	2.0
153.06993	9.5
154.07724	1.4
155.04976	1.1
155.06055	3.4
155.08569	15.1
156.05688	1.2
157.06497	35.2
158.07289	13.6
159.04422	1.3
159.08061	56.0
159.11702	2.4
161.05893	2.1
161.09619	6.2
163.03888	3.1
163.07573	4.3
165.05475	6.0
165.07014	6.1
165.09166	1.7
167.07043	5.2
168.05721	4.1
169.06473	8.5
169.07664	2.2
171.04382	2.9
171.08060	32.1
172.08826	1.2
173.05991	7.1
173.09589	4.4
173.13272	2.0
174.06715	1.1
175.07552	73.0
177.09103	1.8
179.07092	1.6
181.06433	3.1
183.08037	13.0
184.05426	1.1
185.05977	16.6
186.06734	5.4
187.04407	2.4
187.07550	52.2
187.11098	2.2
189.09087	7.7
190.06255	1.8
191.07019	2.3
193.08636	3.1
194.07335	1.5
199.07530	28.5
201.09103	13.6
201.12721	1.3
203.07011	10.9
203.10721	3.6
205.06737	2.2
205.08583	17.2
211.07552	7.3
217.08614	100.0
219.09961	2.2
219.15762	5.4
229.08611	46.1
229.12119	2.4
235.09663	78.7
244.06024	1.4
247.00854	1.3
247.09673	66.5
247.13564	3.6
250.06310	1.2
265.06412	1.6
265.08133	4.2
265.10754	32.7
265.16364	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1073
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
53.61620	1.5
55.01869	4.1
55.05500	4.2
57.07074	3.1
60.96126	1.3
67.05499	6.4
69.03513	1.4
69.07062	7.3
71.04989	1.7
71.59561	1.5
79.05507	12.9
80.62244	1.3
81.03425	16.2
81.07063	13.8
83.04977	2.2
83.08639	3.8
85.06541	2.5
91.05494	12.8
93.07034	6.3
95.04955	2.8
95.08614	14.3
97.02898	2.7
99.08076	1.7
100.38634	1.3
101.85303	1.5
103.05446	7.3
105.07030	5.7
107.04967	20.2
107.08598	7.6
109.02898	8.4
109.10174	8.7
115.05465	23.7
116.06201	3.4
117.03339	2.0
117.07029	35.8
119.08578	5.7
121.02911	2.7
121.06494	3.5
121.10136	4.5
122.07181	4.0
123.04420	1.6
123.11702	3.3
124.05260	2.7
127.05424	1.6
128.06210	4.4
129.07033	9.2
129.07906	1.7
130.04106	2.2
130.07848	1.9
131.04924	4.9
131.08559	9.4
132.05728	2.8
133.06497	3.2
133.10141	5.7
135.04411	4.7
135.11690	3.3
137.06000	1.7
141.06972	8.1
143.04898	3.4
144.05710	14.1
145.02866	2.1
145.06496	65.0
145.10181	2.7
146.07220	1.8
147.04347	3.1
147.08023	3.3
149.02376	2.0
149.09659	1.9
149.13220	1.9
152.04720	3.2
155.04924	2.1
155.06044	15.3
156.05690	14.2
157.06514	9.3
158.07268	5.3
159.08057	16.7
159.11742	2.6
160.05191	2.3
161.05978	7.1
163.03937	17.5
163.15015	1.6
167.07056	44.5
169.06442	2.9
169.07681	3.4
172.05191	3.7
173.05995	87.1
175.07538	7.7
181.04982	2.1
182.73146	1.5
186.06703	3.1
187.07564	20.1
190.06262	40.5
191.03404	16.5
191.07047	4.7
191.08629	1.5
191.17955	2.2
192.07912	3.3
193.08615	3.1
201.16364	1.9
202.06247	3.2
203.07039	16.5
205.08612	100.0
207.10231	3.3
211.14722	1.9
215.07028	6.3
217.08617	43.9
218.09412	11.2
219.10159	17.2
222.06483	1.6
223.06018	8.4
223.09555	1.6
224.09084	3.4
229.08560	1.9
233.08031	1.7
235.09627	9.7
237.09140	2.6
237.11259	1.9
247.09688	28.8
247.16890	7.8
247.24236	2.6
250.06158	2.5
265.08429	7.8
265.10806	16.8
265.17969	26.7
265.25238	4.3
266.10367	2.1
279.59683	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
67.05479	1.5
69.03444	1.5
70.95412	2.2
70.95757	2.1
74.94042	1.2
79.05525	1.1
80.28109	1.4
81.03410	3.2
91.05487	6.0
94.79378	1.3
96.09512	1.3
97.02871	2.5
98.97588	1.9
103.05468	5.2
105.07009	1.3
106.36238	1.1
107.04976	2.0
107.12148	1.1
109.02882	4.5
115.05456	19.0
115.06174	1.8
116.98598	1.2
117.07024	42.4
119.04931	1.4
119.08579	2.5
121.02830	3.4
121.06496	1.6
122.07157	1.8
128.06215	3.9
129.06992	4.9
131.04922	2.2
131.08586	2.8
143.04913	1.4
144.05742	2.6
145.06488	75.6
147.04376	1.9
147.08055	4.4
149.06061	1.7
151.04085	1.2
155.06044	13.8
156.04518	2.5
156.05710	21.2
157.06506	4.2
159.04419	1.6
159.08122	3.2
161.05951	2.6
163.03918	2.0
167.07071	3.1
173.05995	100.0
175.03923	2.2
175.07507	3.7
184.05167	2.0
184.92731	1.3
187.07599	6.3
190.06265	40.6
191.07150	1.4
194.07294	1.5
202.06306	5.7
203.07034	17.4
205.08614	92.0
207.06786	1.4
217.08609	57.5
219.10188	1.4
222.06799	1.9
235.09673	8.9
247.05972	2.7
247.09706	4.3
265.08731	8.2
265.10916	3.4
271.22464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16650	0.8
69.03425	1.9
69.27865	8.3
69.28260	1.6
69.64281	0.9
85.02921	2.0
89.03898	1.1
91.05476	3.8
91.18703	1.0
93.07037	1.1
98.20695	1.5
103.05468	7.0
107.04924	1.0
115.05461	24.5
116.20396	1.1
117.07023	44.9
119.08608	2.9
121.06497	2.5
128.06223	3.5
129.07010	3.8
130.04111	2.3
131.04962	2.2
131.08583	3.1
132.05682	2.1
135.04419	1.8
137.06036	0.9
143.04880	2.4
144.05682	1.4
145.06493	77.3
146.91072	1.0
147.04419	1.2
147.08044	2.8
149.05988	3.8
155.06061	14.7
156.05719	21.0
157.06477	4.6
159.04752	0.9
159.08060	4.4
160.05222	2.0
161.06004	3.1
163.03915	5.9
167.07053	3.2
172.05322	1.0
173.05994	100.0
174.06540	0.9
175.03934	2.1
175.07555	3.7
184.05151	1.4
187.07549	4.9
190.06259	37.9
191.03349	1.7
191.07014	2.2
202.06250	4.5
203.07056	20.1
205.08611	87.3
217.08620	58.4
219.10081	1.4
223.09698	1.2
235.09662	9.4
247.09644	3.4
265.08572	3.9
265.11032	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1073
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
70.74320	2.4
70.74664	1.8
74.11045	1.0
81.03407	1.4
91.05488	4.3
102.04681	1.6
103.05501	6.8
105.61456	1.1
107.04951	2.2
115.05460	24.2
117.07032	42.0
119.08573	2.3
121.10311	1.0
122.07114	1.3
127.05485	1.8
127.08485	0.9
128.06221	2.9
129.06981	5.1
130.04141	2.0
131.04945	2.3
131.08568	2.4
132.05710	2.4
140.61548	1.1
143.04939	1.8
144.05756	1.9
145.06496	77.6
147.04449	2.4
147.08086	4.3
155.06041	15.9
156.05708	18.9
157.06490	4.0
159.08054	3.0
160.05205	1.6
161.05988	3.6
167.07082	1.7
172.05127	1.3
173.06004	100.0
175.03944	2.0
175.07541	2.6
178.98615	1.0
184.05217	2.0
185.27525	1.1
187.07619	3.9
189.05287	1.3
190.06265	43.2
202.06255	4.7
203.07042	15.9
203.08778	1.7
205.08617	92.9
214.06363	1.0
217.08614	57.0
219.10155	1.4
235.09717	10.6
247.09660	3.3
247.35753	1.1
265.08414	2.8
265.10806	2.8
275.82181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07202	0.8
61.14350	0.9
66.18476	0.9
69.18962	0.9
70.88234	2.5
91.05479	3.7
98.12479	0.9
102.16576	0.8
103.05466	6.5
110.52980	0.9
111.22130	0.8
115.05461	22.4
116.06288	1.2
116.50044	0.9
117.07025	37.3
119.08585	1.8
122.07156	1.3
127.05422	1.5
128.06221	2.3
129.07018	2.5
130.04132	1.9
131.04947	1.1
131.08574	1.2
132.05748	1.0
143.04939	2.5
143.99940	1.0
144.05734	1.6
145.06487	76.5
147.08054	3.3
155.04858	1.5
155.06053	15.2
156.05696	18.3
156.06882	1.6
157.06520	2.7
159.08057	3.3
160.05214	2.6
161.05983	2.5
167.07109	1.0
169.07649	0.9
172.05228	1.7
173.05992	100.0
174.06310	1.1
175.03967	1.7
175.07593	3.6
184.05153	1.4
187.07561	3.0
190.06255	36.1
191.07004	1.0
202.06262	5.1
203.07042	15.5
205.08604	88.7
217.08606	55.6
219.10297	1.7
220.29051	0.8
235.09671	10.3
247.09801	2.5
250.06027	1.1
260.50494	1.0
265.08542	3.7
265.10864	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96080	1.2
57.40535	1.0
58.41253	1.1
59.60857	1.2
67.92210	1.1
67.92946	1.0
69.88273	3.2
79.05497	8.8
89.03909	6.1
91.05484	2.6
103.05473	4.6
107.04951	12.4
115.05450	11.7
117.03400	8.4
117.07024	24.7
119.08575	1.5
121.02838	2.9
128.06245	1.9
129.06981	2.4
130.04126	1.4
131.04933	2.3
131.08618	1.4
132.05679	1.5
135.03398	1.6
135.04417	29.3
143.04922	1.2
145.02858	11.5
145.06490	46.8
147.04381	1.7
147.08083	2.5
149.02361	3.8
155.06050	9.3
156.05702	9.1
157.06493	1.1
159.08008	1.6
161.05983	2.3
163.03917	76.0
167.07091	1.5
173.02481	1.5
173.05992	54.3
175.03941	1.3
175.07561	1.5
181.04948	3.4
187.07503	3.3
190.06273	19.7
191.03407	100.0
191.07071	2.9
202.06235	2.6
203.07028	9.7
205.04939	4.2
205.08611	48.1
207.06758	1.0
209.04504	7.2
217.08617	33.0
223.06036	53.8
233.18619	1.0
235.09660	4.5
247.09624	1.0
257.76447	1.0
265.04724	1.2
265.08502	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
55.05505	4.3
57.07072	1.6
60.65738	1.4
61.53567	1.7
67.05503	3.5
69.07064	3.0
71.58149	2.1
73.80682	1.5
79.05482	4.4
81.03404	5.6
81.07050	10.9
83.08605	2.1
85.06547	1.8
91.05466	6.2
93.07037	4.5
95.08618	7.3
97.10163	1.5
103.05471	7.0
105.07052	2.7
107.04984	9.2
107.08599	3.6
109.10135	5.5
115.05463	20.4
117.06230	2.9
117.07027	38.9
121.10079	1.9
124.05190	2.2
126.05086	1.6
127.05492	2.3
128.06229	2.4
129.07025	8.0
131.04939	4.1
131.08553	5.2
133.06512	1.7
137.13219	3.0
141.06953	2.6
143.04929	2.1
144.05702	5.8
145.06491	78.0
147.08029	2.4
151.07443	2.1
155.04936	2.5
155.06032	11.8
156.05721	15.5
157.06490	7.1
159.08096	7.7
160.05223	2.5
161.05992	6.7
163.03888	4.9
165.07025	2.3
167.07051	19.0
169.06454	1.9
172.05215	2.3
173.05994	97.5
175.07588	4.8
187.07539	12.0
189.09091	1.5
190.06270	36.3
191.03415	7.3
191.07019	2.6
191.08659	1.6
194.07236	3.2
202.06223	6.0
203.06999	15.2
203.08588	2.1
204.07765	1.9
205.08601	100.0
207.08104	2.1
207.10255	1.6
209.09471	1.6
215.07059	3.4
217.08600	45.8
218.07529	1.5
218.09387	6.4
219.08060	3.9
219.10210	7.8
221.09767	1.8
222.06671	2.7
223.05968	3.2
233.09782	1.8
234.10408	5.2
235.07555	2.9
235.09653	7.9
237.08994	2.4
247.09676	13.0
247.23930	1.7
250.06197	3.5
250.09850	4.7
265.08417	19.9
265.12088	15.0
265.24976	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	265.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03455	0.4
56.05036	0.5
56.96560	1.6
57.03434	0.5
58.99884	0.4
61.02927	0.5
67.05513	0.4
69.03417	2.1
69.56313	1.0
69.56741	1.5
70.06596	0.8
70.99853	0.6
73.02947	0.8
75.87865	0.3
79.05531	0.5
80.05016	1.1
81.03420	0.6
81.04542	11.6
81.07075	1.0
82.99844	3.1
83.05009	0.6
85.02912	2.4
91.05473	1.2
93.07063	0.9
97.01402	0.7
97.02888	2.4
98.97590	2.6
99.04465	0.5
101.00887	26.0
103.00648	0.5
103.02457	0.4
105.07040	0.7
107.04970	0.6
107.08614	0.4
109.06528	0.7
111.04478	0.6
112.99149	0.6
113.00895	1.0
113.02934	0.5
114.10273	0.4
115.02448	2.1
116.98641	1.0
119.01926	25.1
119.04970	0.5
121.01674	0.5
121.06506	4.7
122.07156	100.0
126.03775	0.5
127.02387	2.2
127.03932	0.8
128.06230	1.0
128.98573	1.0
129.03984	0.6
129.07034	1.3
131.01910	1.1
131.08612	0.6
133.03482	2.2
133.06458	1.1
136.06227	0.8
137.02940	1.2
137.05997	1.8
139.02403	4.1
141.06917	0.6
142.03494	0.4
143.00227	0.7
143.01898	11.1
143.08540	0.4
144.04787	27.7
145.01692	0.7
145.03488	6.6
145.06450	0.9
147.08020	0.8
151.07535	3.8
153.07004	0.5
155.04648	0.4
155.08543	0.7
157.03471	18.1
157.06497	1.6
158.07330	0.7
158.99719	0.5
159.08086	1.7
161.02950	9.0
161.05910	0.4
162.03062	0.4
163.02731	1.6
163.04617	2.7
169.03433	0.7
171.08072	1.3
173.03049	1.0
173.06035	0.6
175.02917	0.8
175.04514	7.9
175.07559	2.5
181.05594	1.5
185.06061	0.4
187.02902	0.7
187.04517	1.9
187.07494	2.0
191.04524	0.9
191.54045	0.4
192.04704	0.6
193.03813	0.4
199.07623	1.1
205.03734	0.7
205.05588	7.7
217.08633	4.3
223.06633	20.1
229.08627	1.6
235.09669	2.9
241.02144	0.5
241.07684	3.1
247.04170	0.4
247.06732	1.6
247.09723	3.4
265.07718	70.9
266.07941	0.7
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	ABSCISIC ACID
Peak:m/z	Relative Intensity
51.70905	1.9
53.03942	3.9
54.96467	1.7
57.07069	2.3
59.05010	2.4
59.89787	1.9
60.17558	2.0
67.05502	5.1
69.03431	9.7
69.27882	14.0
71.04984	1.7
79.05492	14.1
80.86408	1.9
81.07065	3.9
83.04994	18.2
85.02900	3.5
85.06522	2.3
87.04469	2.8
89.03919	6.6
91.05469	12.3
93.07055	12.4
94.18031	1.7
95.04968	5.4
97.02896	6.4
97.06567	2.6
98.21107	9.5
103.05494	2.3
105.07070	8.8
106.44339	1.9
107.04958	14.0
107.08609	18.2
109.02895	5.5
109.06531	7.7
109.10165	4.2
111.04465	11.2
111.08095	4.6
113.05999	4.5
115.05444	2.6
117.03415	11.2
117.07044	5.7
118.06557	2.4
119.04951	1.9
119.08594	10.6
120.08081	1.9
121.02879	6.2
121.06508	20.5
121.10133	3.0
122.07166	9.5
123.08067	5.7
125.09672	1.8
130.07774	2.3
131.08577	9.3
133.06477	2.1
133.10152	5.0
135.04424	25.2
135.08067	33.3
141.06923	2.2
143.08539	3.0
144.04562	2.3
144.09300	2.0
145.02835	10.4
145.06503	7.2
145.10153	6.2
146.06058	11.2
146.07059	1.8
147.08066	4.6
149.02299	11.3
149.06015	4.4
149.09615	7.7
151.07558	3.4
153.09105	4.6
155.08643	2.8
157.10246	2.0
158.10916	2.9
159.08104	6.6
159.11731	10.8
161.09578	2.3
163.03915	100.0
163.07558	22.9
163.11205	6.1
165.09193	2.7
171.08119	3.1
172.08876	5.4
173.09616	7.4
173.13271	16.8
175.07584	3.0
177.09206	2.6
178.08624	9.5
181.04991	9.8
186.10378	5.7
187.11197	30.8
191.03415	83.1
191.07028	11.2
201.09061	1.9
201.12726	23.1
205.05003	2.3
205.08600	2.1
205.12263	9.0
207.09203	2.8
209.04515	4.8
209.08119	2.4
211.11240	5.2
214.09969	2.7
217.08635	2.2
219.13818	7.1
220.09752	5.9
222.11319	14.8
223.06033	48.4
229.08611	2.7
229.12248	25.1
235.09636	2.1
247.06053	3.2
247.09758	3.2
247.10568	3.2
247.13306	43.4
248.09198	2.5
265.07181	3.4
265.09891	10.5
265.14352	4.5
266.10245	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03933	7.0
55.05521	13.2
65.03925	8.4
67.05508	28.1
68.79552	3.1
69.03085	2.6
69.03434	34.9
69.07050	5.9
69.79343	4.7
69.79745	13.0
71.04958	9.2
79.05502	16.8
81.07063	19.8
83.04961	11.8
85.06525	6.0
91.05492	47.4
93.03384	9.3
93.07050	40.8
95.04972	47.4
95.08609	22.2
97.02876	10.9
97.06502	5.0
98.20869	3.0
98.97577	3.4
99.04449	4.3
103.05445	8.5
105.07042	68.3
106.04862	2.7
107.04918	3.2
107.08589	23.4
107.70405	2.7
109.02859	6.8
109.06527	31.3
109.10165	6.4
111.04446	30.5
111.08071	10.5
113.05990	20.9
113.64034	2.5
115.05427	4.8
116.06184	9.4
117.03300	3.4
117.07021	21.6
119.08586	86.1
120.08116	6.6
121.02849	11.8
121.06512	47.4
121.10161	20.0
122.07156	9.9
123.04401	3.5
123.08079	30.1
124.84024	3.3
128.06187	7.8
128.12952	2.7
129.07007	17.7
130.07762	6.1
131.04852	6.5
131.07619	2.7
131.08578	47.4
132.05696	3.6
133.06563	13.8
133.07430	3.1
133.10141	15.9
135.08067	83.2
137.05959	6.2
137.09579	14.1
139.03856	10.7
139.07465	11.6
141.06946	12.4
142.07747	12.1
143.08546	13.4
144.05679	6.0
144.09277	10.7
145.02820	5.5
145.06506	17.3
145.10126	40.6
146.07257	6.0
147.06932	4.2
147.08054	52.8
147.11710	21.9
149.05910	8.1
149.09639	13.4
151.07503	8.6
153.06947	5.8
153.09070	3.8
154.07721	5.1
155.08517	10.4
156.09315	9.2
157.06522	6.1
157.10158	32.8
158.07257	26.9
158.10844	7.2
158.15123	2.9
159.08073	41.2
159.11705	43.3
161.05927	8.1
161.09627	46.3
161.13217	6.9
163.07445	3.8
165.09142	34.0
168.09280	9.1
169.10056	5.0
171.07993	8.4
171.11665	8.7
172.08846	28.0
173.05949	4.1
173.09610	26.0
173.13281	24.5
175.06056	4.8
175.07561	91.8
175.11211	36.6
177.05405	12.8
177.09006	3.9
181.06401	4.7
183.11714	14.9
183.71971	3.1
185.09573	9.7
186.10410	6.4
187.07420	4.0
187.11192	51.0
188.08388	3.6
189.09070	12.7
189.12796	18.0
193.08629	27.4
193.10199	3.8
196.08780	7.7
199.11209	22.3
201.12764	41.7
203.10693	55.4
205.12155	8.5
207.10234	6.1
211.11186	30.6
217.12254	26.3
219.13756	12.6
229.12187	34.2
235.13242	7.8
247.09485	3.7
247.13264	70.0
262.60278	3.0
265.14310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1438
Annotation	Dendocarbin E
Peak:m/z	Relative Intensity
53.03934	6.3
55.05499	15.0
56.96552	15.0
57.07069	4.9
65.03936	7.4
67.05508	58.9
69.03423	4.2
69.07088	18.3
69.07401	3.5
70.42770	9.5
71.04991	11.6
71.49081	3.0
79.05056	6.2
79.05497	66.8
81.03377	3.2
81.04521	6.0
81.07062	98.7
83.08614	6.6
85.06544	7.6
88.15844	3.0
91.05475	39.9
93.07050	33.0
95.04970	7.6
95.08611	50.4
95.85716	3.0
96.96094	3.0
97.06523	7.3
98.97566	9.6
99.04456	47.1
105.07041	46.1
107.04937	13.5
107.08595	14.2
109.06503	9.9
109.10159	39.7
110.01315	2.9
111.04428	5.0
111.08102	3.0
116.98643	3.1
117.07037	23.0
119.01866	3.5
119.04944	15.5
119.08588	24.5
121.06503	13.1
121.10140	10.3
122.07161	37.6
123.08058	8.7
123.11689	11.9
125.06004	3.9
128.06145	4.3
128.79477	3.1
129.07010	9.0
130.07780	12.2
131.00180	3.4
131.08565	32.1
133.06441	4.0
133.10153	16.3
135.08127	4.6
135.11653	4.5
139.07544	19.1
141.07066	3.9
143.08551	12.9
144.04778	11.2
144.09311	13.8
145.06467	12.5
145.10132	100.0
147.08061	4.0
147.11740	6.7
149.13261	5.8
151.07535	11.1
157.10165	6.0
158.07297	10.2
159.08058	12.0
159.11708	93.6
163.07512	5.6
169.10130	10.9
172.08867	6.4
173.09621	29.6
173.13268	5.0
187.11200	60.8
191.14256	4.0
197.09688	6.5
201.09082	3.6
205.08641	4.4
205.12248	44.7
209.15387	4.5
215.10689	49.6
217.08701	3.9
219.01610	3.6
219.13887	5.6
219.17464	4.0
233.11798	7.7
235.09769	5.0
241.95949	4.3
247.09650	4.5
247.16917	4.9
265.10849	7.0
265.18091	10.4
265.21765	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	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	7.0
54.20335	4.3
55.05506	16.6
65.03953	11.2
67.05517	31.4
69.03437	37.6
71.04984	10.6
71.20042	7.6
71.20372	4.9
77.03915	5.4
79.05496	26.4
81.03431	6.0
81.07034	16.4
83.04958	6.9
91.05488	52.5
93.03380	11.3
93.07047	47.5
95.04976	48.5
95.08629	28.5
97.06514	8.8
99.04467	6.5
105.07041	83.6
106.32162	4.0
107.04926	9.4
107.08614	28.7
109.02899	10.4
109.06528	36.9
109.10148	10.9
111.04467	34.3
111.08105	11.0
113.06020	26.0
115.05418	7.5
116.06220	10.1
117.03416	8.7
117.06991	17.8
119.05032	5.3
119.08587	100.0
121.02869	14.9
121.06517	65.3
121.10108	17.4
122.07162	6.8
123.08088	22.8
128.06224	11.5
129.06999	18.4
130.07785	14.8
131.08591	53.3
133.06526	7.7
133.10156	19.4
135.04382	14.9
135.08072	96.0
137.09607	18.5
139.03893	13.7
139.07553	10.3
141.06989	13.2
142.07751	14.3
143.08621	21.2
144.09352	10.5
145.02827	6.1
145.06505	11.2
145.10118	35.7
147.08064	47.2
147.11716	21.9
149.02339	7.6
149.05977	7.6
149.09598	10.2
151.07458	5.5
155.08527	15.0
156.09383	8.5
157.10165	23.1
158.07251	17.4
159.08064	44.6
159.11710	47.2
160.08853	6.8
161.09619	54.6
163.03885	36.3
163.07556	7.4
165.09117	41.8
168.09245	7.3
171.08026	7.0
171.11714	15.9
172.08884	24.8
173.09679	25.2
173.13266	22.6
175.07553	85.8
175.11194	48.4
177.05460	11.4
183.11691	15.3
185.09729	9.1
186.10515	7.9
187.07608	7.5
187.11192	50.8
189.09134	12.3
189.12767	18.2
191.03378	44.6
193.08626	30.4
193.10153	7.5
196.08813	9.0
199.11263	10.7
201.12744	39.5
203.10683	58.4
205.12215	8.0
211.11230	25.5
217.12210	21.2
219.13785	9.7
223.06065	26.3
228.26787	5.3
229.12277	29.6
235.13266	10.5
247.13318	78.6
265.11517	8.3
265.14386	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03943	5.4
53.37356	4.3
55.01870	11.7
55.05497	13.4
57.03436	5.2
65.03950	6.6
67.05505	21.8
69.03436	44.0
69.07077	6.6
70.06589	4.6
71.01350	4.6
71.04982	9.3
71.16438	7.8
72.08156	3.9
73.02911	4.6
79.05491	17.2
81.04533	13.2
81.07051	17.5
83.04977	21.5
85.02898	9.8
91.05482	46.9
91.65721	3.6
93.07055	37.8
95.04983	30.6
95.08608	21.7
97.02906	31.9
97.06498	4.2
98.97543	8.9
99.04424	6.1
103.05456	9.7
105.07040	58.2
107.04933	12.4
107.08598	18.0
109.02891	6.3
109.06503	27.2
109.10158	7.8
111.04448	23.5
111.08061	6.9
113.05996	12.7
115.03909	4.7
115.05441	10.9
116.06232	6.1
117.07032	22.0
118.06545	16.4
119.04928	6.4
119.08587	81.4
120.08115	20.5
121.02879	11.3
121.06506	59.4
121.10139	13.9
122.07160	100.0
123.08058	22.2
125.05930	3.6
128.06218	20.9
129.06993	36.1
130.07784	4.5
131.04953	6.2
131.08589	37.8
132.08072	10.1
133.06514	31.7
133.10129	15.1
135.08058	69.5
137.05966	7.8
137.09616	11.8
139.03911	11.1
139.07503	7.9
141.06996	13.8
142.07782	11.9
143.07549	5.6
143.08499	24.1
144.04778	23.4
144.05757	7.8
144.08095	7.1
144.09227	3.9
145.06535	20.7
145.10114	31.4
146.06030	28.6
146.07124	5.1
147.04425	12.4
147.08057	36.7
147.11678	15.9
149.05969	7.7
149.09639	7.9
151.07552	58.6
153.06970	10.8
154.07732	5.5
155.06036	4.4
155.08542	14.1
156.08105	14.2
156.09300	5.4
157.06541	25.1
157.10110	20.7
158.07278	26.4
159.08060	64.5
159.11690	36.7
160.08812	6.4
161.05940	4.5
161.09645	38.1
161.13237	5.5
163.03917	4.1
163.07564	6.6
165.05528	6.8
165.09135	30.0
169.06476	5.6
171.08115	30.5
171.11635	5.8
172.08826	24.6
173.06038	4.7
173.09644	19.5
173.13321	22.0
175.07550	96.5
175.11205	34.2
177.09032	5.1
179.08754	4.4
181.06396	5.4
183.07889	5.6
183.09282	8.6
183.11649	8.6
185.05925	10.6
185.09622	6.7
186.06831	6.6
186.10457	6.8
187.07582	22.9
187.11192	39.2
187.38437	3.8
188.07030	27.6
189.09216	17.2
189.12782	9.9
193.08569	24.2
193.10127	4.1
196.08833	6.0
199.07506	20.9
199.11227	9.9
201.09140	6.7
201.12694	28.3
203.06952	6.9
203.10648	44.7
205.08653	4.2
205.12199	10.5
211.11220	17.4
217.08603	72.6
217.11966	20.8
219.13814	11.8
221.11540	4.9
229.08546	20.3
229.09700	22.2
229.12248	27.5
235.09673	51.7
235.13272	9.5
247.09624	50.9
247.13310	52.5
265.07709	5.6
265.10580	41.2
265.13531	43.6
265.14301	44.6
265.25342	3.7
275.78653	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	265.1549
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
53.03943	0.4
55.01859	0.3
55.05514	10.8
56.05029	0.5
56.96566	0.9
57.05823	1.1
67.05499	0.4
69.03429	0.7
69.07066	0.3
70.06600	0.4
71.04983	0.5
71.08030	0.4
71.08393	0.5
72.08159	100.0
72.87364	0.3
79.05505	0.5
81.03433	0.8
81.04572	0.3
82.93445	0.2
83.04991	1.2
84.08151	0.4
85.02907	1.0
91.05481	0.9
93.07047	0.3
95.05032	0.3
95.08612	0.5
97.02885	1.6
98.97591	1.3
103.05496	0.7
105.07018	0.4
107.04977	0.5
109.02891	0.9
109.06554	0.3
110.97576	0.4
114.52288	0.3
115.05510	0.6
116.98605	0.4
117.03406	0.8
117.07010	0.7
119.08580	0.4
120.08110	12.0
121.02847	0.4
121.06529	0.4
122.07199	1.6
123.04398	0.4
124.99139	0.9
128.98647	0.5
129.06981	0.6
131.04947	1.0
131.08612	0.7
133.06532	0.5
133.10141	0.4
134.82115	0.2
135.04446	0.3
135.08131	0.4
137.06027	1.3
137.44914	0.2
139.03860	0.3
141.06975	0.5
143.00192	0.8
144.04764	0.5
144.05717	0.6
145.02824	1.9
145.06496	1.0
145.73616	0.3
147.04402	0.3
149.06004	0.7
151.03993	0.4
151.07538	0.5
157.06505	0.3
158.07309	0.3
158.99739	0.4
159.08078	0.9
159.83759	0.3
160.05193	0.3
161.01250	0.3
161.06027	0.7
163.03899	0.8
163.07651	0.3
165.06725	0.3
165.99454	0.3
166.08649	11.9
167.07016	0.4
170.80331	0.2
173.06004	1.2
175.07593	1.2
177.05487	3.3
179.00179	0.5
183.11714	0.4
185.01225	0.5
187.07582	1.3
189.09009	0.3
191.07076	0.5
201.09016	0.4
203.10619	0.3
205.08578	1.2
207.10197	0.5
213.04201	0.8
217.08554	1.2
219.01888	0.4
219.06401	0.4
219.08347	0.3
219.10190	0.7
219.15100	0.6
221.08279	0.3
222.04718	0.5
222.06837	0.3
223.87956	0.3
229.08635	0.3
235.09659	0.9
237.02873	0.3
247.05991	0.8
247.09680	1.8
247.14484	0.6
250.06287	0.4
263.11975	0.3
263.15372	0.2
265.06787	0.5
265.08374	0.9
265.11194	1.6
265.15427	8.6
267.03873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03944	1.2
55.05522	4.1
57.03420	0.9
57.07052	2.5
63.24218	0.8
67.05511	4.5
67.22781	0.7
69.07072	7.2
69.73189	3.6
71.04968	1.3
72.01046	0.9
79.05460	3.0
81.03411	2.0
81.07065	14.6
83.04947	1.3
83.08614	2.2
91.05484	4.1
93.06531	1.0
93.07040	8.8
95.04946	1.4
95.08614	25.0
97.06507	2.0
97.10167	2.0
99.04444	3.1
105.06379	1.1
105.07031	11.1
107.04934	0.9
107.08582	6.5
109.06489	3.3
109.10156	7.8
111.11754	0.9
117.06987	2.8
119.08559	8.1
121.06478	2.9
121.10125	3.6
122.07163	1.0
123.08072	5.8
123.11686	4.8
127.04008	0.8
129.07014	1.5
131.07730	0.9
131.08580	14.0
132.86998	0.9
133.10132	6.1
135.08047	4.0
135.11641	1.3
137.05922	2.1
137.09575	3.1
139.07526	1.4
143.08536	2.9
145.10130	16.9
147.08025	2.1
147.11664	3.3
149.09584	3.4
149.13161	0.9
151.07541	4.0
153.09070	3.5
157.10109	1.9
159.07990	2.2
159.11691	7.3
161.09593	1.6
163.07510	2.4
163.11037	1.7
165.09123	4.1
167.10648	1.6
169.10048	1.2
173.09615	2.1
175.14873	1.0
177.09163	5.9
179.10678	1.2
185.13182	2.3
187.11157	3.0
187.14792	15.0
191.10651	7.3
201.12675	0.9
201.16322	3.6
205.12207	5.2
205.15982	1.3
205.18172	0.8
211.14790	2.9
219.17389	3.4
229.15843	5.7
247.16945	100.0
265.17908	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	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03926	1.7
55.01858	0.8
55.05512	35.0
57.03426	1.6
57.07077	15.9
58.54795	0.5
58.60241	0.7
65.03931	0.6
67.05505	36.4
69.07068	53.7
71.04977	2.9
71.08633	8.0
71.58907	1.1
79.05496	18.6
81.07056	47.1
83.04964	1.3
83.08617	37.7
85.06552	3.5
85.09719	0.6
85.10156	3.6
91.05470	2.4
93.07046	25.0
95.08606	44.5
97.06532	14.1
97.10169	25.6
99.08081	2.1
101.09651	0.7
105.07042	0.9
107.08592	17.6
109.10155	23.9
111.08077	7.7
111.11722	8.6
113.09631	1.4
119.08541	1.0
121.10145	41.6
122.07163	1.7
123.11690	8.7
125.09609	2.2
125.13280	2.7
129.12794	0.8
133.10092	0.9
135.11693	31.3
137.13281	3.9
139.11148	3.1
141.12735	0.7
143.14337	0.7
149.13255	12.6
151.14822	5.8
153.12738	0.7
155.14275	0.9
163.14813	5.0
165.16402	5.0
169.15871	1.0
177.16347	3.1
179.17822	0.7
187.56650	0.6
191.17924	2.4
205.19554	1.0
241.98842	0.8
247.21542	1.0
247.24213	35.1
265.25259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	2.1
55.05515	37.2
56.96550	1.7
57.03423	1.9
57.07078	19.5
65.03917	2.3
67.05176	2.5
67.05508	38.6
69.07072	54.3
71.04989	3.4
71.08640	8.2
71.59167	1.8
79.05498	22.6
81.07060	48.9
83.08141	2.8
83.08621	41.0
85.06515	2.1
85.10179	3.9
91.05466	4.0
91.83917	1.6
93.07046	29.0
95.04949	2.3
95.08614	44.6
97.06538	12.8
97.10176	26.1
99.08071	2.7
101.00928	1.3
107.08603	18.8
109.10160	22.3
111.08071	9.2
111.11714	9.0
116.82039	1.7
117.07011	1.8
121.10145	43.6
122.07146	3.4
123.11713	7.5
125.09614	2.3
125.13295	2.9
135.11697	33.0
137.13229	3.8
139.11174	2.4
143.38507	1.4
145.06525	1.6
149.13278	13.3
151.14807	5.0
155.14348	1.8
163.14809	5.5
165.16382	5.3
173.06023	4.2
174.93512	1.4
177.16438	3.5
191.18004	2.4
205.08549	1.7
205.19411	1.7
217.08670	2.3
223.06403	1.4
247.24223	35.1
265.07770	2.1
265.25287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01612	0.2
71.01929	0.3
71.10136	0.2
73.51435	0.2
82.99844	0.7
98.94219	0.2
101.00891	6.0
116.98875	0.5
119.01933	7.2
122.97853	0.3
134.99895	0.7
137.02937	0.5
140.98840	1.8
158.99916	4.5
159.01227	0.2
165.99702	0.3
175.03069	0.3
177.00963	16.9
178.01004	0.2
182.99901	1.4
193.04202	0.2
195.01920	0.2
199.03110	0.4
201.00937	4.1
201.02327	0.3
202.01060	0.2
217.04105	3.1
219.02026	22.0
219.94490	0.4
220.02061	0.6
225.00859	2.7
225.02751	0.2
229.00931	0.2
235.00763	0.2
242.03633	0.2
242.96202	0.5
243.02002	15.0
261.03079	100.0
262.03217	1.3
263.03384	0.4
266.03598	0.5
284.04584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1025
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
53.03954	2.8
56.96561	0.8
68.57915	0.5
69.44297	1.7
69.44720	2.5
70.06599	3.8
70.47012	0.5
72.08143	0.7
81.03422	15.3
84.77236	0.6
89.03898	0.5
91.05495	2.9
92.04978	0.9
93.07029	0.8
95.23349	0.5
97.02885	1.0
98.97584	1.2
107.04952	0.7
107.90665	0.6
108.08134	0.6
109.02887	54.0
112.07616	1.5
116.04979	0.8
117.05762	3.1
118.06553	10.0
120.04457	0.8
132.08093	0.8
134.09642	1.4
136.06177	1.2
137.05960	1.8
140.07056	1.1
144.04439	4.4
144.07947	0.5
145.02820	1.4
146.06018	30.7
152.07016	0.6
160.07553	1.5
162.05518	2.9
162.09145	1.8
163.03918	0.9
164.07034	0.6
172.03943	1.2
176.07097	1.8
177.05437	2.5
178.08646	39.2
188.07050	4.8
190.05011	1.4
190.08646	5.1
195.73866	0.5
204.06625	0.7
206.08112	9.9
207.06538	2.0
216.06575	3.3
218.93805	0.5
220.09714	12.4
222.11267	64.9
224.09203	0.8
229.79216	0.5
234.07719	3.7
248.09201	7.3
266.10239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72739	0.3
53.03946	0.7
55.05527	0.4
56.96570	0.4
60.34185	0.3
61.65902	0.4
67.05511	0.4
69.03448	0.3
69.43111	1.5
69.43530	1.1
70.06619	1.9
72.08160	8.0
81.03433	1.8
85.02927	0.6
86.09756	0.5
87.04472	1.2
89.03912	3.9
90.09201	1.4
95.04961	0.4
98.97600	1.0
106.04198	0.5
109.02895	8.5
112.07610	0.9
116.98653	0.4
117.03391	18.0
120.08937	0.4
134.03651	1.4
135.04462	0.6
137.05988	0.6
143.00179	1.0
145.02858	50.8
148.07555	0.8
149.05984	6.5
151.07674	0.6
161.01254	0.4
162.10107	0.4
163.03838	0.4
177.05484	100.0
178.05826	0.7
180.10214	2.4
222.09410	0.6
236.09869	0.7
245.10545	0.7
266.09720	0.5
266.13959	6.6
267.03806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90433	0.7
60.08168	6.5
61.02917	1.1
65.25184	1.1
69.03430	1.8
71.56406	0.9
71.56815	1.5
73.02918	2.1
76.68824	0.8
81.03411	1.6
81.45985	0.9
85.02898	3.3
86.79875	0.8
87.04477	5.0
97.02884	1.2
99.04472	1.3
101.00882	1.4
102.00954	1.9
104.10754	45.4
112.14105	0.7
113.80146	0.7
115.94260	0.8
119.01923	1.4
120.02020	1.4
127.03872	1.1
133.09917	0.8
140.35501	0.7
144.02036	1.4
146.03769	1.0
158.03615	1.5
158.32855	0.8
161.09396	0.7
162.03160	1.1
162.13574	0.9
167.28633	0.9
172.04843	0.7
175.92125	0.9
176.04741	1.1
182.52284	0.7
206.05843	1.4
210.64563	0.8
224.06792	1.8
266.08005	13.3
266.16010	100.0
275.23651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1753
Annotation	Ficuseptamine B
Peak:m/z	Relative Intensity
53.03951	1.1
55.05499	2.6
56.05025	2.0
63.69479	0.6
67.05212	0.6
67.05516	6.5
69.07057	1.7
70.06570	0.9
71.16477	1.1
79.05492	5.3
80.05010	0.9
81.03413	2.0
81.07063	21.2
82.06596	5.0
83.08623	1.4
84.04513	0.7
84.08150	32.8
91.05489	1.5
93.07047	2.6
95.04983	1.6
95.08617	16.6
96.08139	10.0
97.06474	0.7
98.09693	3.6
103.80263	0.6
105.07062	1.3
107.04971	0.8
107.08602	1.7
108.08176	0.7
109.06532	10.4
109.10120	0.6
117.07041	0.8
119.08601	1.2
121.06519	1.6
123.04452	1.2
123.08089	5.2
124.06734	0.7
124.07593	2.9
125.05978	1.6
126.09163	4.4
131.08524	1.0
133.10152	0.8
134.06023	1.2
134.09689	1.2
135.04425	1.3
135.08031	1.4
137.09558	0.8
143.08559	0.8
147.07956	0.7
149.09692	0.9
151.07515	1.3
151.11215	0.6
152.07085	14.1
163.07574	0.8
165.09138	1.3
170.08125	4.8
178.08640	3.9
200.65712	0.6
202.15834	1.0
204.17528	1.6
205.12485	0.7
205.15851	1.5
208.13431	0.9
219.13882	5.2
221.15480	1.7
222.11342	1.1
230.15427	1.7
248.16473	17.8
266.10193	1.7
266.17542	100.0
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	Diaportinol
Peak:m/z	Relative Intensity
53.03939	1.0
54.80515	0.5
55.01862	1.5
56.96549	1.6
57.03424	1.9
60.04536	0.6
60.17852	0.5
61.02932	5.8
63.32093	0.5
65.03951	0.8
67.05480	1.0
69.03424	2.8
69.07066	5.1
70.14908	1.0
70.15301	1.5
71.01350	0.8
73.02905	2.1
77.65630	0.5
81.03414	0.7
81.07070	0.5
84.08151	0.7
84.52392	0.5
85.02898	4.7
86.03293	0.5
87.04482	1.4
87.08108	3.4
89.03946	0.6
91.05492	3.9
93.07022	0.8
95.04943	1.1
97.02894	6.8
98.97573	3.1
103.03951	8.4
103.05455	2.9
105.03381	1.7
105.07018	2.3
105.09144	1.4
107.04942	0.9
109.02887	1.4
111.04467	0.7
115.05479	3.5
116.98640	0.7
117.03360	1.2
119.04942	10.6
121.02824	1.2
122.07166	1.6
123.04411	1.2
123.11726	0.6
124.99099	0.7
125.05974	1.8
131.04948	2.3
132.05711	0.6
133.02843	4.5
133.06424	2.7
134.03642	1.8
135.04417	0.9
136.06192	8.3
137.05948	4.1
139.03920	1.0
140.04710	1.0
143.04912	2.1
145.02849	1.0
146.03615	0.9
147.04410	21.1
149.05988	2.3
150.03110	1.1
150.05516	2.1
151.03957	3.9
151.07549	1.8
152.06001	0.7
153.05473	21.2
158.99702	0.8
159.04361	1.7
160.05199	0.9
161.06001	7.4
162.03127	12.4
163.03932	3.6
164.04720	1.7
165.05453	4.8
167.03412	1.0
171.04446	3.2
173.02493	0.6
175.03957	4.2
175.07520	1.5
176.04721	1.0
177.05476	100.0
178.06157	0.9
179.03421	1.2
179.07022	6.4
181.04988	0.9
188.04654	1.1
189.05472	7.1
191.07030	1.7
192.04175	10.5
199.03931	1.2
203.07065	8.4
205.04964	8.1
205.10835	1.2
207.06548	22.2
213.94150	0.7
219.06503	1.6
221.03554	1.0
222.05322	0.6
223.06039	1.0
231.06520	9.1
237.05457	0.8
237.07672	2.5
239.04477	1.3
246.05621	0.8
249.07574	5.6
249.12251	0.7
261.12958	0.5
267.03131	0.7
267.05899	1.1
267.08643	14.6
267.13190	0.9
267.17133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1205
Annotation	2'-Amino-2'-deoxyadenosine
Peak:m/z	Relative Intensity
55.05514	1.2
56.39317	0.6
56.96563	0.9
67.05509	1.5
67.06571	0.6
69.03418	1.0
71.04988	0.7
71.55928	0.8
79.05494	1.7
81.03418	1.6
81.07047	3.2
91.05473	1.8
93.07063	1.2
95.04980	1.2
95.08636	1.4
98.97589	1.2
105.03370	0.8
105.07022	2.5
107.04939	1.1
107.08611	1.3
107.10895	0.6
109.06554	1.0
109.10152	0.8
115.05513	0.7
119.08587	1.2
121.02850	4.1
121.06540	1.4
121.10139	2.6
131.08562	1.1
133.10121	1.3
135.11659	0.8
136.37077	0.6
137.09676	0.7
138.08862	0.6
143.08607	0.6
145.10225	0.7
147.11711	1.3
157.10088	0.7
159.11749	0.7
161.09608	1.2
165.06978	0.7
179.09122	0.7
194.34055	0.7
205.08203	0.6
215.09438	0.6
232.14505	0.7
249.11131	1.3
249.14870	0.8
267.12064	100.0
289.85504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.54897	0.6
55.01869	2.1
55.05511	3.3
57.03234	0.6
57.03447	6.9
59.05002	0.9
61.02929	4.9
65.03931	1.6
67.05217	0.6
67.05512	6.9
69.03432	7.5
69.07072	3.6
69.45904	5.3
71.01335	0.8
71.05005	3.3
71.16614	0.7
72.08144	1.5
72.89471	0.6
72.92263	0.6
73.02917	11.5
73.08455	0.7
76.88922	0.6
77.39751	0.7
79.05504	7.5
81.03426	4.5
81.07059	13.7
83.05005	3.9
85.02909	5.7
87.04471	1.5
91.05476	11.5
92.05817	1.9
93.05326	0.9
93.07046	20.3
95.04981	4.4
95.08617	6.7
97.02888	3.4
97.06509	2.1
99.04439	1.4
103.03933	1.9
103.05491	0.8
103.46945	0.6
105.07029	20.6
107.04951	2.0
107.08599	14.4
109.06541	3.7
109.10162	7.7
111.04440	3.0
111.08092	1.3
114.10271	1.9
115.03933	3.4
115.05402	1.0
117.05805	1.3
117.07022	4.0
118.05962	0.9
118.06522	3.1
119.04954	1.0
119.06190	0.9
119.06886	9.5
119.08591	11.7
121.04832	0.7
121.06526	5.8
121.10150	27.8
121.11033	1.4
122.06822	1.1
123.04428	1.2
123.08096	1.8
123.11711	3.2
125.06019	1.3
128.06210	1.7
129.05489	0.8
129.07007	2.4
130.07848	1.3
131.08574	6.6
133.06491	2.1
133.10133	15.1
135.04501	0.7
135.08038	2.1
135.09987	1.6
135.11700	11.4
136.06306	0.6
137.06007	1.2
137.09628	2.5
139.07520	1.0
141.05473	1.6
141.06964	0.7
142.07784	1.8
143.08594	4.4
144.04497	1.5
144.09392	0.7
145.04787	5.6
145.06451	1.4
145.10135	6.9
146.06013	14.6
147.06361	27.2
147.08064	3.0
147.11694	9.6
149.09608	2.2
149.13249	2.6
151.07542	0.9
151.11148	2.2
154.05011	0.9
155.08521	0.8
156.09381	1.2
157.10124	4.0
159.06673	0.8
159.08069	1.7
159.11679	7.7
159.29660	0.7
161.08029	1.0
161.09612	3.8
161.13268	3.0
162.05455	2.0
163.03926	1.4
163.05840	3.1
163.07533	1.0
163.09676	0.9
163.11171	4.7
164.04233	0.9
165.04382	1.1
165.07423	0.7
165.09143	0.9
165.12773	1.5
169.10100	0.9
171.08008	1.4
171.11697	2.6
173.04228	1.6
173.08072	1.2
173.09567	1.2
173.13324	1.0
175.07588	0.7
175.11185	3.7
177.07408	2.8
177.09081	0.8
177.12766	6.9
178.08656	10.5
179.08998	34.2
179.10529	1.2
181.08586	1.2
181.12271	0.7
185.13283	2.1
187.07574	0.9
188.07059	0.9
189.07462	6.8
189.09077	1.1
189.12766	4.4
190.08673	0.8
191.05357	1.3
191.09032	5.7
191.10658	1.2
193.12228	1.1
195.11717	1.3
201.12767	1.3
203.10736	0.6
203.14326	2.2
205.06880	2.0
205.10529	0.9
206.08151	1.5
207.08492	10.3
207.13721	1.2
213.12721	2.8
217.06897	3.6
219.13858	3.7
220.09729	1.8
221.10045	17.1
222.07695	0.7
222.11263	9.3
223.11600	75.1
231.10266	0.7
231.13799	7.9
232.29045	0.7
235.07977	4.4
239.11050	0.7
249.09238	9.0
249.11452	2.6
249.14871	10.5
267.10565	100.0
267.15836	26.2
268.11438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
52.14476	1.3
52.62116	1.3
53.03938	7.2
54.23147	1.4
55.01859	5.0
55.05516	7.7
57.03439	14.0
59.05006	3.3
61.02931	25.9
65.03924	2.9
67.05515	21.1
69.03076	2.6
69.03435	41.8
69.07073	9.3
70.06591	3.6
71.04978	4.8
71.06915	2.9
71.59138	2.3
73.02892	4.0
79.05128	1.9
79.05501	20.5
81.03427	23.4
81.07061	36.6
82.03743	6.6
83.05001	11.5
83.08626	1.4
85.02914	24.5
85.06524	2.5
87.04466	18.7
91.03964	16.9
91.05486	26.8
93.07050	63.3
95.04974	17.0
95.08602	16.8
97.02289	2.1
97.02900	37.8
97.06522	5.6
98.97551	2.8
99.04439	4.4
103.05478	3.3
103.06935	1.4
105.07039	63.2
107.04948	4.0
107.08596	42.7
109.02887	48.7
109.06548	8.1
109.10160	31.0
110.03220	36.4
111.04446	10.4
111.08023	2.0
113.06026	1.8
115.03934	20.3
115.05436	3.5
117.07029	13.2
119.04946	2.1
119.08587	29.1
121.06538	10.6
121.10150	100.0
123.04407	3.5
123.08064	3.9
123.11707	7.6
125.05984	2.8
128.06219	2.4
129.05516	1.7
129.07007	8.9
130.07805	1.6
131.08577	17.8
133.04971	10.1
133.06482	5.7
133.07581	1.7
133.10138	46.0
135.08069	9.3
135.11699	41.2
137.05978	3.0
137.09619	10.3
141.05519	2.0
141.06979	1.7
142.07835	3.7
143.08597	12.2
144.09378	3.7
145.06500	4.1
145.10141	18.0
147.04390	1.8
147.08026	5.2
147.11694	35.4
149.09634	2.3
149.13297	14.1
151.07483	1.8
151.11195	3.4
155.08578	3.3
157.10164	9.6
159.06512	3.8
159.08015	4.1
159.11703	20.4
161.05899	1.4
161.09604	6.2
161.13229	2.8
163.07542	1.9
163.11217	3.4
165.06912	1.7
165.09135	1.7
165.12796	4.0
167.07104	1.7
171.08087	1.8
171.11699	4.9
173.08098	4.3
173.09625	3.7
173.13280	5.4
175.07603	2.5
175.11183	19.0
177.05473	4.2
177.12766	48.9
183.11691	4.9
185.08061	2.1
185.09592	1.8
185.13254	4.4
187.11133	1.8
191.10695	2.1
193.12350	1.8
201.12759	9.7
203.14224	8.1
211.09546	1.8
213.12735	6.6
218.13046	1.8
219.13795	12.4
221.15451	2.3
231.13841	21.9
249.11105	2.6
249.14868	20.6
267.06552	6.3
267.10385	9.3
267.15918	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	267.1593
Annotation	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
53.03936	6.2
55.01858	7.6
55.05517	9.9
57.03439	11.3
61.02934	22.8
65.03951	2.6
67.05514	21.9
69.03434	37.5
69.07065	9.0
70.06564	2.5
71.04984	2.9
71.06913	3.1
73.02915	5.3
76.63539	2.0
79.05502	16.2
81.03419	19.4
81.07065	34.3
82.03744	9.1
83.04981	12.7
83.08638	2.2
85.02913	21.3
87.04478	24.4
88.46947	1.9
91.03954	19.1
91.05488	29.2
93.07053	58.6
93.07629	4.0
95.04978	13.0
95.08604	15.3
97.02905	35.8
97.06557	3.2
99.04485	4.8
103.03947	2.4
103.05504	2.6
105.07034	60.0
107.04943	5.4
107.08599	41.6
109.02878	32.6
109.06526	11.3
109.10159	33.1
110.03212	34.6
111.04443	9.6
115.03928	16.3
117.07009	13.5
119.04955	2.7
119.08587	37.0
120.07270	2.4
120.08105	2.8
121.06499	9.0
121.10150	100.0
123.04469	3.1
123.08068	3.9
123.11704	10.8
128.06209	5.8
129.06972	4.9
131.08578	17.6
133.04953	11.4
133.06505	6.6
133.10143	46.9
135.08083	10.7
135.11700	45.8
137.05968	3.8
137.09621	9.8
141.06865	2.2
142.07808	5.8
143.08571	16.9
144.09334	4.3
145.06519	3.3
145.10107	17.0
145.94212	2.1
147.08025	7.7
147.11693	33.5
149.09576	2.3
149.13274	15.8
151.11211	4.9
156.09351	2.9
157.08887	2.3
157.10101	10.9
159.06618	2.6
159.08089	4.8
159.11702	25.6
161.09581	5.5
163.07492	2.2
163.11208	5.3
165.12743	2.3
170.10959	2.5
171.11676	2.5
173.08215	4.2
173.09586	4.9
173.13281	7.2
175.11198	15.0
175.58211	2.3
177.12766	53.8
183.11678	4.0
185.13275	7.4
189.12686	2.5
191.10732	2.9
195.11696	3.7
201.12791	9.1
203.14290	5.2
213.12776	5.2
219.13828	15.8
231.13760	17.9
249.11374	2.7
249.12531	2.4
249.14879	17.6
267.10379	4.3
267.15921	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63130	0.3
51.40741	0.3
55.00111	0.2
55.01867	0.5
56.96569	0.6
57.03433	0.6
58.75576	0.2
61.02942	0.2
68.26425	0.3
69.03417	0.8
70.02961	0.4
70.06595	0.5
71.56561	0.3
73.02928	0.4
74.02448	6.0
74.05708	0.3
74.93565	0.3
79.05473	0.3
81.03407	0.3
84.08133	0.4
85.02911	1.7
87.57913	0.2
88.04001	11.8
90.12437	0.3
91.05509	1.3
91.05986	0.3
93.07039	0.4
94.04062	0.4
95.04944	0.4
97.02866	0.7
98.97579	2.0
107.04961	32.6
110.97612	0.4
116.03466	4.1
116.98600	0.8
119.03571	0.6
121.06524	1.6
122.06857	0.5
133.80055	0.2
134.04498	22.1
135.04393	0.3
136.06195	100.0
137.04591	0.4
137.05977	1.5
144.04526	0.4
152.07109	0.4
158.99666	0.4
159.45847	0.3
163.03925	0.9
174.93004	0.3
176.07088	0.5
177.00716	0.4
178.03912	0.5
178.08704	0.5
179.04694	0.3
181.15184	0.3
187.04414	1.0
201.05296	0.3
204.06596	0.4
206.11696	1.4
208.09720	0.5
209.74889	0.2
218.08026	0.5
219.01756	0.3
222.07547	0.6
227.02274	0.4
236.09259	0.5
250.07047	1.5
250.10733	0.8
250.14476	0.3
262.47839	0.3
268.07269	0.3
268.07816	0.3
268.10529	6.3
268.15567	0.5
268.19141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.34515	0.1
55.01877	0.3
55.04699	0.2
56.10599	0.2
57.03439	0.5
69.03435	0.2
70.99703	0.3
74.89249	0.1
85.02910	0.4
92.02559	0.2
94.04055	0.4
115.03927	0.3
119.03566	0.9
133.04958	0.2
136.06194	100.0
137.04616	0.4
137.06631	0.2
268.10406	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	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01878	0.3
57.03434	0.6
57.95261	0.2
69.03436	0.4
69.60484	0.7
69.60899	0.3
71.01370	0.2
73.02925	0.2
79.23328	0.1
85.02913	0.6
87.04494	0.2
91.05483	0.2
94.04073	0.3
97.02938	0.3
98.21465	0.3
98.97612	0.3
99.82792	0.1
102.02053	0.2
103.00652	0.2
104.10748	0.4
115.03925	0.2
119.03593	0.8
133.04922	0.2
136.06197	100.0
137.04550	0.2
158.99792	0.2
201.05269	0.2
258.26508	0.2
268.07965	0.4
268.10440	7.2
268.16431	1.1
268.98203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01875	0.6
56.96565	0.4
57.03446	1.0
61.02929	1.2
67.05511	0.2
69.03432	1.9
69.84556	1.2
70.06574	0.2
71.04996	4.8
72.08155	0.2
73.02936	0.6
75.77261	0.2
81.03430	0.7
84.08150	0.4
85.02910	9.4
85.84934	0.2
87.04501	0.6
89.06038	28.9
91.03957	0.8
91.05486	0.3
94.04071	0.5
94.06590	0.3
97.02900	1.9
98.97576	1.7
99.04462	0.5
101.00857	0.3
109.02895	0.5
110.97565	0.3
119.01876	0.2
119.03563	0.7
119.04903	0.3
121.06453	0.3
127.03933	1.9
136.06195	100.0
137.06012	0.8
138.09158	0.3
145.04990	2.6
150.05531	1.4
151.05878	2.7
163.06061	0.9
169.14993	0.2
187.04428	0.4
213.90596	0.3
245.05096	0.3
250.10724	0.4
268.07809	0.5
268.10269	7.2
268.15442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01873	4.5
55.05512	8.5
57.03440	2.2
59.04991	2.4
65.60574	1.6
66.01537	1.9
67.05503	7.3
69.03442	2.7
69.07065	2.1
70.89091	3.1
70.89422	2.9
71.04993	10.4
79.05505	21.8
81.03458	1.7
81.07079	11.2
83.05004	2.6
85.02924	1.7
85.06529	2.2
89.46393	1.6
91.05487	24.4
93.07048	38.6
95.04987	8.5
97.02893	8.6
97.06527	11.4
98.97611	5.1
99.04456	44.0
101.06013	2.2
105.07043	42.0
107.04961	5.9
107.08597	22.8
109.06525	6.3
111.04469	3.3
115.05456	3.2
117.07030	13.7
119.04920	4.6
119.08601	13.5
121.06515	36.3
121.10119	2.5
125.06000	8.1
128.06216	4.1
129.07001	4.8
130.07794	5.2
131.08571	20.1
133.06531	4.1
133.10152	7.6
135.04431	4.7
135.08083	7.6
136.06174	18.7
137.06006	5.9
139.07544	13.9
141.06989	3.8
143.08606	8.8
144.04478	8.8
144.05595	2.0
144.09373	6.2
145.06494	17.8
145.10136	100.0
147.08028	3.2
149.06007	2.7
154.07784	2.8
155.08540	5.8
157.10155	5.9
158.07291	15.7
159.08058	21.0
159.11716	49.6
168.06627	2.3
169.10117	11.5
171.08054	2.1
172.03908	2.7
172.08846	7.0
173.09634	91.1
176.07034	8.9
182.07303	2.0
187.11198	86.1
191.10704	4.3
197.09572	12.1
204.06635	8.7
205.12244	63.9
208.09714	3.2
215.10701	89.6
233.11745	29.5
236.09209	8.9
245.08479	4.5
268.11755	5.1
271.96329	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38303	1.2
52.22819	1.2
63.96412	1.1
70.22521	4.2
94.93002	1.8
130.29105	1.3
135.48421	1.2
136.94016	4.4
162.95638	2.4
163.14351	1.2
268.98267	100.0
276.10690	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01869	4.9
55.05509	4.3
56.96566	32.4
57.03430	8.8
57.07069	5.5
60.04525	10.3
61.02929	13.3
62.50526	2.1
64.55957	2.3
65.03947	3.4
65.58501	2.2
67.05478	5.8
68.24073	2.0
69.03432	39.5
69.07077	5.1
70.06593	12.3
70.16769	2.1
71.04993	11.5
71.57610	2.7
71.95242	3.1
73.02921	16.4
79.05521	4.0
81.03429	12.5
81.04553	12.9
81.07058	3.2
83.04975	4.6
84.04510	2.9
84.08144	8.0
85.01358	2.4
85.02908	67.8
85.06541	3.9
86.03243	5.6
86.09708	5.5
87.04478	10.5
89.06039	17.8
90.06376	7.4
91.03953	3.9
91.05488	41.1
92.05827	3.3
93.07033	3.1
93.49439	2.7
95.00712	2.9
95.04963	4.8
95.08615	3.6
97.02905	34.1
98.01272	2.5
98.03246	2.8
98.97585	100.0
99.04454	8.6
101.00886	10.3
102.96908	3.0
105.07030	3.7
107.01778	3.3
107.04971	6.5
109.02874	9.0
109.06538	3.4
110.07175	34.2
110.97584	7.8
111.02093	3.7
111.04453	6.8
112.99146	3.3
115.02411	3.4
115.03915	3.9
116.98637	38.9
119.01897	14.0
119.04933	14.9
120.02619	7.0
121.01672	4.6
121.02917	3.0
121.06561	3.1
122.06080	3.9
122.06219	4.3
122.07159	26.5
123.04443	3.8
124.99136	6.1
127.03927	19.6
128.04292	2.7
128.98608	9.3
129.03140	7.3
129.05417	3.4
130.08673	3.1
131.00209	4.8
131.01872	6.7
133.03424	3.1
134.99646	6.0
135.04367	3.6
136.06200	46.2
136.07520	12.3
137.04599	16.7
137.05991	64.1
138.05446	3.3
138.06354	3.7
139.03946	4.6
139.09760	2.7
140.00267	2.9
143.00162	12.2
143.01894	5.1
145.03551	3.8
145.04970	10.8
146.99719	4.4
147.04376	4.6
148.00372	2.8
149.01201	9.3
150.03545	2.4
150.05528	5.2
151.03851	3.2
151.07495	2.9
152.07111	4.0
153.03043	4.0
156.03412	7.7
156.07707	14.6
157.03455	6.6
158.99657	14.9
161.01225	18.9
161.02901	2.8
162.03612	4.3
163.03922	3.4
164.07004	3.1
165.05490	5.3
166.05037	9.2
167.06998	4.5
171.04169	7.3
174.04449	7.5
177.00719	10.3
179.02298	12.3
179.05827	5.4
179.07153	2.9
182.03392	4.1
182.08067	14.0
185.01344	2.7
185.02925	4.1
186.02998	4.8
186.04576	12.3
187.04414	3.8
187.54466	5.1
188.05161	5.9
191.02280	3.0
192.04677	34.6
195.05070	3.4
195.06714	3.1
197.03207	6.4
201.00774	2.5
204.05438	6.0
205.05551	4.3
210.08714	4.5
219.01773	7.5
221.03278	18.6
223.06741	6.1
228.05359	8.9
232.51161	2.6
237.02768	3.7
239.04369	67.9
246.05354	5.4
251.11145	2.7
257.05502	4.7
260.07324	7.2
264.06992	2.6
269.05209	4.6
269.08109	37.2
269.12225	34.4
269.15961	10.2
269.57675	3.7
281.05447	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	269.0883
Annotation	Inosine
Peak:m/z	Relative Intensity
55.01876	0.4
55.49750	0.3
56.96556	0.6
57.03435	1.1
61.02916	1.1
64.96148	0.3
69.03439	1.8
70.68445	0.5
70.68783	0.6
73.02908	1.0
81.07069	0.4
85.02902	3.1
91.05491	1.2
94.04077	1.2
97.02886	1.3
98.97595	5.4
101.00911	0.9
105.36337	0.3
107.04935	0.4
107.08570	0.4
109.06534	0.7
110.03535	1.5
116.98597	1.0
119.01933	1.0
119.03574	1.2
119.04962	0.9
120.02601	0.5
121.06482	0.8
124.99123	0.5
127.03933	0.5
129.03098	0.8
131.01921	0.5
136.06192	3.5
137.04599	100.0
137.05862	3.1
143.00179	0.5
143.01939	0.5
153.37901	0.3
158.99644	0.7
161.01196	0.7
171.04128	0.6
173.01492	0.4
177.53235	0.3
179.02327	0.6
187.04396	0.7
188.05247	0.8
192.04657	2.1
221.03343	1.5
223.06535	0.5
239.04370	2.7
251.06319	0.5
257.05554	0.4
265.07782	0.4
269.07910	1.8
269.10696	0.7
280.70770	0.3
281.05484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.2
59.05007	11.6
67.05505	12.7
69.03439	12.5
69.07079	30.2
70.28139	7.8
70.94455	13.8
70.94785	9.5
79.05503	28.1
81.07064	58.0
86.09583	7.7
91.05488	22.4
93.07048	71.1
95.08620	45.0
97.06529	17.6
98.98483	13.7
103.01302	8.0
105.06997	7.9
107.01344	22.8
107.04954	11.7
107.08598	87.2
109.10149	36.7
119.08604	8.7
121.02948	10.2
121.06511	9.4
133.06609	7.1
133.50670	7.3
135.11722	100.0
136.06210	15.2
137.06615	10.4
145.94667	8.6
153.12753	72.4
176.35652	7.7
206.25249	9.4
209.59390	7.9
237.09471	27.2
251.01849	78.0
264.96405	7.3
269.02896	45.8
269.12085	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	269.1385
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.95454	6.1
55.01871	6.7
56.60856	5.6
67.05509	36.4
69.07083	15.3
71.04978	17.1
71.55802	6.2
79.05493	32.0
80.15078	7.5
81.06636	10.2
81.07066	100.0
82.55670	5.3
83.05008	7.1
85.06546	98.1
91.05490	25.7
93.07055	56.1
95.04980	38.3
95.08620	15.2
97.06513	26.4
99.04459	11.0
102.69250	5.8
105.07035	51.4
107.04967	11.4
107.08587	44.7
109.06531	86.9
109.10164	8.1
113.05999	8.9
117.06991	9.6
119.08587	19.9
121.06540	30.8
121.10141	17.7
123.04398	11.2
125.05999	13.0
127.07564	57.0
131.08571	21.2
133.06494	8.1
135.08052	9.4
135.11691	12.6
137.05991	38.0
139.07524	7.4
143.08575	8.6
145.10146	81.2
147.11674	8.6
149.09610	10.2
151.07584	11.7
155.07008	24.1
159.11707	25.7
163.07567	8.0
163.11182	84.2
169.10057	13.2
173.09647	38.7
177.12758	8.6
181.12187	8.3
187.11191	65.0
191.10652	61.9
197.09604	9.6
205.12247	65.7
209.09912	13.5
209.11729	33.1
215.10689	46.9
223.13251	9.9
233.11728	72.4
251.12775	80.2
269.08136	15.2
269.14026	37.3
269.16620	9.5
269.22696	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54001	0.5
53.03953	0.7
55.01861	1.7
55.05507	0.8
56.96561	0.7
57.03419	1.3
66.13483	0.7
67.05492	1.9
69.03422	1.4
69.07063	1.1
71.04983	0.6
71.57729	1.0
79.05493	5.5
81.03410	0.7
81.07060	4.1
83.04973	1.4
85.06539	2.2
91.05478	5.0
93.07038	2.4
95.04961	2.7
95.08591	1.7
97.02882	3.9
98.97572	1.7
103.05458	6.6
105.07033	8.6
107.04957	51.0
107.08595	2.7
109.02888	0.8
109.06525	2.0
109.10169	1.4
111.04399	0.8
113.06049	0.6
115.05460	4.8
116.98597	0.8
117.07014	2.0
119.04926	1.5
119.08588	1.8
120.05731	1.8
121.06521	1.4
121.10146	1.4
123.04427	2.3
124.05255	1.1
127.07563	1.6
131.04898	1.4
131.08559	0.9
133.06522	1.7
133.10069	1.0
135.08058	14.3
137.02341	3.4
137.05925	3.3
139.03925	0.8
145.02881	0.8
145.06477	1.5
145.07578	1.4
145.10138	1.7
147.04401	1.7
147.11690	1.1
149.05991	1.3
149.09547	0.8
151.03877	1.1
151.07524	0.8
151.84735	0.6
153.05518	0.6
154.06221	4.5
158.99681	0.8
159.11653	0.8
160.05229	1.1
161.05916	1.6
161.13245	0.7
163.03844	0.9
163.07556	22.2
163.11238	0.7
165.05487	1.7
167.07045	26.3
175.11214	1.4
177.05493	1.2
177.06976	1.4
179.07069	0.7
180.07816	6.7
181.06555	0.9
185.60081	0.6
185.66441	0.7
195.10172	100.0
205.06468	2.7
209.06195	0.8
209.09898	3.7
215.14384	0.7
215.68590	0.6
219.01633	0.6
223.07617	5.0
226.06238	1.1
233.11800	1.1
233.15402	1.6
237.09090	2.4
241.08673	2.0
251.06947	2.9
251.12978	1.2
251.16344	1.5
269.08115	11.4
269.11887	2.3
269.17554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.33700	0.4
55.01884	0.9
55.05516	0.6
56.96558	0.7
57.03431	1.2
57.07092	0.4
61.32372	0.4
65.03913	0.5
67.05508	1.4
69.03424	0.9
69.07059	0.9
70.06601	0.5
70.27027	0.4
71.04967	0.4
71.31065	0.8
77.17572	0.4
78.04656	0.6
79.05495	6.9
81.03418	0.6
81.07056	2.0
83.04977	0.7
84.08135	0.7
84.56783	0.4
85.02927	0.6
85.06541	1.2
89.03888	0.5
91.05495	4.5
93.07049	2.3
95.04965	2.9
95.08597	0.6
97.02909	3.2
98.97593	1.5
103.05489	5.1
105.07031	9.3
106.11416	0.4
107.04958	53.6
107.08591	2.3
109.06503	0.8
109.10120	0.6
110.03725	0.4
110.77118	0.4
115.05453	3.8
116.98631	0.6
117.03368	0.7
117.07024	2.3
119.04913	1.0
119.08575	1.2
120.05724	1.6
121.06493	0.9
121.10132	1.2
123.04433	1.5
124.05225	1.3
125.06002	1.2
127.07597	0.6
131.04956	1.6
131.08578	1.1
133.06511	1.0
133.10114	0.5
135.04456	0.5
135.08058	15.8
137.02359	3.7
137.03340	0.8
137.05956	1.7
137.09641	0.7
139.03886	0.7
142.07788	0.4
145.06490	1.7
145.07629	1.6
145.10088	1.2
147.04393	1.3
147.11720	0.5
149.06006	0.8
149.09663	0.5
151.03941	0.6
152.04703	0.6
153.07004	0.5
154.06244	4.6
154.21133	0.4
158.09291	0.4
159.11650	0.5
160.05212	1.8
160.55470	0.5
161.06013	1.3
163.07555	25.2
165.05481	2.0
165.06917	0.6
167.07051	26.2
169.10089	0.5
173.13184	0.4
175.11168	0.7
177.05469	1.2
177.07014	1.9
178.07793	0.6
180.07800	7.2
181.06493	0.9
194.07259	0.7
195.10172	100.0
205.06497	3.2
209.09821	2.8
215.14243	0.8
221.15358	0.6
222.06729	0.5
223.07550	4.6
223.09471	0.6
226.06197	1.0
227.07166	0.5
233.05933	0.6
233.15295	1.4
237.09085	1.8
241.08711	1.3
251.07042	2.9
251.12668	1.1
251.16537	0.5
269.08057	10.4
269.11761	3.2
269.17416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99297	10.4
67.05496	22.6
70.76628	32.9
79.05484	17.5
81.07059	37.2
85.06554	30.9
85.44202	9.5
91.05486	25.1
93.07039	24.9
95.04987	24.3
95.08611	14.9
97.06532	24.4
99.70523	11.9
103.85995	10.6
105.07050	32.1
107.04961	12.8
107.08612	14.1
108.86261	9.9
109.06551	33.4
121.06498	13.2
125.06030	27.2
125.77179	9.3
127.07574	23.8
135.08075	15.7
139.28282	10.0
143.08536	14.8
145.10136	49.9
152.54301	12.1
155.07047	26.9
156.02983	11.2
156.17612	10.5
157.64259	12.9
159.11697	25.5
163.11169	100.0
173.09608	32.7
187.11226	28.5
191.10736	40.9
195.06445	16.3
205.12291	39.2
209.11784	21.7
215.10693	21.8
233.11755	41.2
251.12744	39.8
267.09570	10.0
269.07947	13.5
269.14233	15.8
269.17267	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1385
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
54.96822	5.1
55.01850	5.9
56.03824	5.7
59.68637	5.7
65.03938	7.9
67.05522	27.2
68.20362	6.6
69.03436	6.9
69.07066	19.5
70.88121	14.2
70.95203	5.6
71.04991	11.3
73.84549	5.4
79.05504	31.0
81.07066	100.0
83.04970	14.1
85.06554	88.6
91.05467	17.5
93.07063	31.7
95.04981	34.5
95.08597	6.6
97.06517	21.5
99.04478	14.1
105.07034	37.8
107.04955	11.1
107.08584	36.8
109.06541	76.0
111.08045	6.7
113.05994	6.7
116.53296	5.1
117.07015	12.7
119.08609	11.8
121.06500	24.0
121.10191	9.0
125.05994	15.5
127.07549	51.7
131.08560	16.9
133.06477	6.1
135.08034	9.6
135.11682	12.2
137.05952	37.8
139.07599	7.9
143.08517	6.7
145.06482	6.3
145.10126	57.5
149.09570	8.3
155.07043	20.3
159.11670	18.0
161.09679	6.3
163.11183	59.6
169.10114	8.0
173.09625	24.7
181.12234	11.2
187.11186	57.6
191.10661	45.9
197.09552	11.1
205.12288	46.3
209.11758	23.9
215.10732	34.4
223.13266	6.3
233.11816	64.3
251.12843	69.2
256.07867	6.3
259.32114	7.1
269.14017	30.6
269.17133	6.1
280.93048	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.8
55.05514	6.8
57.03448	5.6
57.07087	6.8
59.20996	4.1
61.93603	4.0
67.05517	23.4
69.03439	6.0
69.07054	19.4
69.61959	3.5
70.72753	12.5
71.04993	9.5
79.05495	37.5
81.07056	50.1
83.04985	25.7
83.08645	4.9
85.06531	8.8
85.07581	4.3
91.05486	30.9
93.07047	67.0
95.04980	20.7
95.08634	32.2
97.02890	5.7
97.06541	34.9
99.04458	11.9
105.07033	57.4
107.04957	22.2
107.08598	50.5
109.06551	20.1
109.10175	6.5
111.08116	4.2
117.07011	10.4
119.04945	11.2
119.06022	4.2
119.08587	15.7
121.06510	43.4
121.10143	9.5
125.05995	29.1
130.07803	4.7
131.08583	12.7
133.06490	14.6
133.10120	10.2
135.08058	20.3
135.11725	19.4
137.05981	11.7
137.13301	6.1
139.07542	9.7
141.07034	4.9
141.44763	3.7
143.07048	11.9
143.08556	5.9
145.06541	9.3
145.10147	70.8
147.11716	7.9
149.09621	5.6
149.13237	7.9
154.07774	7.4
155.08578	7.4
158.07291	8.3
159.08099	9.7
159.11713	31.8
161.13327	4.8
163.11195	100.0
167.08623	5.4
169.10178	13.0
171.11719	4.5
172.08829	4.6
173.09650	50.2
177.12791	6.7
179.08621	6.3
181.06497	5.6
181.12259	32.1
187.11188	45.8
191.10660	34.8
197.09634	23.3
205.12294	26.1
209.11768	9.6
215.10695	69.7
227.07092	4.7
227.12881	13.5
233.11771	51.7
241.08574	8.5
251.12805	26.5
269.08130	16.0
269.13928	4.2
269.17514	8.1
270.08957	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	269.1385
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.03955	4.1
55.05502	10.6
59.08689	3.7
61.10925	3.9
62.03368	3.5
64.38089	3.7
67.05498	11.6
69.03444	9.4
69.07070	21.2
70.22977	7.1
70.23322	11.1
71.05004	7.3
79.05505	32.9
80.33776	3.6
81.07061	39.5
83.04980	28.4
85.06588	5.9
91.04994	5.1
91.05476	27.4
93.07043	54.0
95.04972	14.3
95.08617	19.1
97.02886	4.1
97.06529	31.0
98.20824	5.2
99.04468	11.3
105.07033	54.1
107.04968	20.2
107.08595	33.9
109.06528	20.1
109.10144	5.4
113.06020	6.7
117.07010	11.2
117.51736	3.6
119.04958	9.1
119.08582	12.3
120.73856	3.8
121.06512	41.7
121.10103	8.2
125.05980	38.6
129.07018	4.9
130.07823	7.0
131.08575	14.3
133.06494	7.8
135.08034	12.1
135.11723	9.9
137.05988	14.9
139.07518	8.6
143.07053	10.8
143.08577	9.4
145.06459	4.3
145.10130	66.2
147.11690	10.8
151.07555	8.5
155.08585	4.9
158.07288	5.1
159.08023	7.3
159.11708	38.7
163.11200	100.0
169.10176	10.1
173.09633	43.8
179.08548	10.4
181.12254	29.6
187.11191	45.4
189.12761	5.6
191.10715	31.3
197.09668	20.2
205.12251	18.2
209.11719	10.9
215.10689	59.1
227.12787	14.4
233.11737	52.4
251.12808	15.1
257.69022	3.7
269.07974	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	269.1386
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
50.16253	2.8
53.03947	4.5
55.01874	9.0
55.05498	12.4
56.68121	3.4
57.03425	3.2
60.25745	2.7
65.52441	3.6
66.29226	2.6
67.05511	14.9
69.03436	8.8
69.07071	23.1
69.97978	8.6
69.98390	5.6
71.04974	13.1
73.78817	3.2
79.05496	41.4
81.07063	40.8
83.04985	31.0
85.06536	6.2
91.05490	28.5
93.07049	65.2
93.77037	3.3
95.04987	23.6
95.08608	29.4
97.02879	12.8
97.06535	38.2
99.04446	9.4
103.05483	4.0
105.06387	4.5
105.07039	66.3
107.04981	20.6
107.08602	40.5
107.83569	2.6
109.06525	30.0
109.10156	8.9
111.04444	3.7
113.06002	4.7
117.07021	20.2
119.04958	15.3
119.08579	19.7
121.06530	43.3
121.10146	5.4
123.08005	6.0
125.05992	34.2
125.45969	2.8
128.06189	2.9
129.16975	2.9
130.07751	5.6
131.08565	19.0
133.06488	12.0
133.10077	5.6
135.04391	5.0
135.08058	13.9
135.11696	22.5
137.06003	19.8
137.13255	5.4
139.07533	9.0
141.07025	4.8
143.07036	11.4
143.08577	6.6
145.06445	9.1
145.10135	80.3
147.11658	12.9
149.05968	4.0
151.07654	4.7
154.07761	5.3
155.08665	4.9
157.08714	6.3
157.10114	3.7
158.07275	5.1
159.08063	11.3
159.11699	50.0
161.13193	5.7
163.11201	100.0
169.10146	9.8
171.11714	8.5
173.09630	56.6
177.12735	4.9
179.08589	10.9
181.12248	23.4
181.15770	3.4
182.07173	3.9
187.11214	58.3
189.12689	5.7
191.10678	33.2
197.09674	23.2
205.12239	24.9
208.09660	4.0
209.09991	20.0
209.11775	11.9
210.10709	6.8
215.10683	71.9
227.12848	16.8
233.11740	53.4
251.12837	22.7
269.07996	3.5
269.12198	11.2
269.19489	8.4
269.22363	6.9
290.47156	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	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01867	3.9
55.05508	4.7
57.03436	3.5
59.19771	2.6
65.39751	2.0
67.05512	13.4
69.03431	5.7
69.07072	11.6
70.30716	2.4
71.04999	5.6
75.04489	13.9
77.26308	2.1
79.05497	27.4
81.03436	3.6
81.07060	32.1
83.04980	10.5
83.08615	3.3
85.02915	4.5
85.06519	2.9
91.05491	27.1
93.07051	33.9
95.04975	10.7
95.08614	17.7
96.17359	2.2
97.02911	5.2
97.06537	17.1
99.04465	6.5
101.06025	2.8
103.05450	2.7
105.03400	8.1
105.07030	31.1
107.04964	13.6
107.08609	19.8
109.06528	15.7
109.10143	6.1
117.07013	7.9
119.04958	8.4
119.08579	8.7
121.06522	42.8
121.10188	6.0
123.08040	4.7
125.06010	19.1
129.07019	3.7
130.45718	2.1
131.08580	10.3
133.06516	3.9
133.10135	4.5
134.03648	2.9
135.04416	32.0
135.08081	9.8
135.11720	10.3
137.05994	9.5
139.07579	8.2
141.06982	4.7
142.07848	2.2
143.07065	9.6
143.08553	5.6
144.09407	3.5
145.04803	5.4
145.06479	4.4
145.10124	36.0
147.11685	6.2
149.05994	9.2
149.13310	3.5
150.05522	51.4
151.07539	5.7
153.05489	3.9
153.07059	2.6
157.10124	4.7
158.07124	2.9
159.08069	3.7
159.11681	19.4
161.09749	2.3
161.13319	4.1
163.03934	37.2
163.11208	46.7
167.07062	43.4
167.08440	4.3
169.04999	12.9
169.10150	5.9
173.09645	31.7
176.07095	3.0
177.05537	6.5
177.07413	8.0
177.12891	3.8
179.08621	4.2
181.08612	4.7
181.12209	13.3
187.11180	28.8
191.10686	15.2
195.06548	100.0
197.09633	11.6
205.04919	3.4
205.06705	6.0
205.12248	14.1
209.08099	23.2
209.11726	5.3
215.10686	30.3
227.09200	12.0
227.12729	5.4
233.11746	20.9
237.07603	17.0
237.09645	4.6
251.12747	6.7
269.08038	8.3
269.12485	5.9
269.17477	8.3
269.22635	6.1
270.11270	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	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.33723	1.2
53.03944	3.7
55.01872	3.5
55.05520	22.1
56.96562	2.9
57.03441	38.1
57.07068	5.5
65.03936	2.0
65.82948	1.3
67.05512	82.8
69.07076	34.8
69.38139	7.7
69.38545	2.8
71.04990	5.1
75.24844	1.1
77.03939	1.8
79.05502	49.4
81.03455	1.3
81.07065	100.0
83.04594	1.1
83.04996	11.7
83.08622	20.1
85.06551	6.3
91.05489	25.0
91.50092	1.2
93.07055	81.3
95.04974	9.2
95.08056	1.9
95.08619	26.3
97.06532	15.7
98.20848	3.9
98.21536	2.9
98.97601	2.2
99.08096	6.4
103.05471	2.9
105.07049	9.5
107.04958	1.8
107.08607	40.7
109.06522	3.8
109.10155	5.9
111.08085	9.4
113.09670	2.3
117.07036	7.1
119.08603	4.1
121.06522	15.7
121.10160	24.5
122.06843	1.7
123.08085	2.1
123.11712	1.9
125.09619	1.6
131.08601	12.3
133.10159	7.7
135.08066	2.5
135.11679	11.3
139.11169	3.6
145.10143	1.9
147.11705	2.2
149.09682	1.8
149.13268	62.5
150.05495	1.6
157.10094	2.0
157.47212	1.4
159.11708	21.7
163.22447	1.2
171.11743	2.3
177.07353	1.4
177.12779	12.5
179.26988	1.2
191.14296	3.4
195.13823	19.5
205.06982	1.6
213.16455	1.7
244.38948	1.3
258.26740	1.2
269.17499	77.5
269.22580	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	269.1751
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.01328	0.8
53.03935	3.0
54.74547	0.8
55.01863	3.1
55.05268	1.7
55.05511	21.1
56.96563	4.3
57.03439	25.5
57.07077	8.9
59.04976	0.9
61.72521	0.9
65.03928	3.0
67.05505	79.1
69.03439	1.0
69.07070	32.8
70.77689	0.9
71.04996	7.8
71.08624	5.8
71.56857	1.3
79.05494	50.4
81.03393	2.7
81.07058	100.0
83.04981	10.3
83.08618	22.4
85.06540	6.8
85.10165	3.2
91.05481	27.0
93.07044	68.6
95.04976	6.5
95.08608	43.5
95.09115	0.6
95.09234	1.2
97.06535	18.0
97.10165	5.1
98.97572	2.6
99.04443	1.4
99.08097	4.6
103.05458	1.3
105.04504	2.1
105.07030	12.9
107.04955	1.4
107.08598	37.7
109.06515	3.2
109.10152	14.3
111.04475	1.2
111.08074	8.3
111.11705	2.1
113.06007	1.8
113.09670	2.0
115.05442	1.5
116.98589	1.6
117.07023	11.4
119.08582	5.2
121.06528	8.5
121.10144	32.5
123.08041	1.7
123.11729	7.8
125.05969	6.2
125.09639	1.5
129.05473	1.3
129.07002	1.3
131.08571	14.4
133.10126	13.4
135.08028	3.5
135.11696	23.7
137.09618	1.4
137.13237	3.3
139.07538	1.5
139.11186	2.3
143.07027	3.6
143.08582	1.4
145.10103	3.3
147.11681	3.4
149.09608	1.4
149.13264	35.4
151.11125	2.6
151.14859	1.4
154.55849	0.9
155.14285	2.5
157.10136	2.6
159.10432	1.7
159.11685	22.7
161.13229	3.0
167.14330	1.3
169.10117	1.4
171.11662	1.9
173.13202	1.9
175.14896	1.1
177.12740	14.0
179.14316	1.7
191.17953	17.6
195.11827	1.7
195.13805	14.2
199.14725	1.0
205.19440	1.7
209.13254	1.0
209.19011	9.6
209.22507	0.9
211.14731	1.0
215.17949	3.7
223.14842	1.3
223.20528	2.5
233.19049	3.2
251.20061	9.1
269.17450	60.5
269.21207	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03937	3.2
54.08819	1.0
55.01863	5.2
55.05270	1.4
55.05512	23.3
56.96555	4.1
57.03438	19.6
57.07078	12.3
59.05008	1.2
60.79554	0.8
65.03941	2.0
66.55152	0.8
67.05508	78.8
69.03431	2.6
69.07069	35.0
69.41057	1.4
69.41467	5.5
71.01354	1.0
71.04991	7.9
71.08355	0.7
71.08639	9.2
79.05495	49.5
79.23600	0.8
81.03419	1.1
81.07060	100.0
83.04976	10.7
83.08625	20.0
84.62345	0.9
85.06554	7.7
85.10182	5.1
87.04518	0.9
91.05483	22.6
93.07049	68.5
95.04967	6.7
95.08608	53.8
97.06530	16.0
97.10189	4.8
98.97565	2.9
99.04425	1.0
99.08102	4.4
103.05482	0.9
105.04514	1.7
105.07032	8.3
107.04929	2.3
107.08599	36.5
109.06509	3.8
109.09465	1.4
109.10163	20.2
111.04450	1.5
111.08092	8.0
111.11712	2.9
113.06015	1.1
113.09633	2.0
115.03915	1.3
117.07024	10.3
119.08567	5.7
121.06522	7.5
121.10151	40.1
123.08047	2.4
123.11735	6.7
125.05995	9.7
125.09610	1.5
127.07517	2.0
127.11166	1.4
129.05467	1.4
129.06931	1.3
131.08563	10.5
133.10143	13.8
135.08063	2.7
135.11699	26.4
136.06163	1.0
137.13293	4.7
139.07558	2.1
139.11150	2.8
143.07072	4.9
145.10132	3.9
147.11691	3.6
149.09601	2.8
149.13269	34.5
151.11183	2.4
153.09109	1.4
155.14316	4.5
157.10114	1.8
159.11708	20.7
161.13235	2.9
163.03998	0.9
164.06883	0.9
167.14366	1.3
171.11630	1.6
173.13278	2.3
177.12762	11.4
177.16272	1.0
179.14235	1.4
185.13300	1.6
189.16470	1.6
191.14331	1.3
191.17943	30.9
195.13814	12.7
199.14975	0.9
205.19521	3.2
209.19014	15.9
213.16425	1.3
215.17987	4.7
223.18700	0.9
223.20563	5.3
226.60805	1.3
226.93050	1.1
233.18977	3.8
251.20091	11.9
269.08160	1.4
269.12555	1.7
269.17474	47.7
269.21130	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	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01860	2.9
55.05268	1.2
55.05516	21.5
56.96565	3.2
57.03442	27.7
57.07081	6.1
65.03930	3.1
67.05511	80.4
69.03416	1.4
69.06725	1.9
69.07072	30.0
69.52032	5.5
69.52435	2.1
71.04993	6.4
71.08635	2.0
78.70151	1.0
79.05500	45.3
81.03416	2.4
81.07064	100.0
83.04987	10.9
83.08628	21.8
85.02899	1.9
85.06539	6.4
91.05487	32.4
93.07051	73.8
95.04980	7.8
95.08614	27.0
97.06537	17.6
97.10170	3.3
97.77093	1.0
98.97578	1.8
99.04485	2.2
99.08089	4.5
104.42732	0.9
105.07035	13.3
107.07869	1.9
107.08601	37.0
109.06507	4.1
109.10143	7.5
111.08089	9.2
111.11710	1.4
117.07023	11.5
119.08591	6.2
121.06570	5.6
121.10159	19.2
123.08096	1.8
123.11681	4.6
131.08583	15.0
133.10143	15.6
135.08083	2.1
135.11703	13.9
136.06148	1.8
137.06554	1.2
139.11174	1.6
143.08607	1.4
145.10155	2.8
147.11658	2.4
149.09608	3.9
149.13268	41.9
150.05490	1.7
151.11159	3.2
159.10443	2.1
159.11707	34.0
161.13316	2.8
167.14235	1.1
171.11635	1.6
177.09105	1.5
177.12773	16.2
179.05670	1.9
179.14388	1.8
195.13826	19.4
199.14900	2.5
209.11505	1.5
213.14670	1.8
213.16545	1.9
248.11658	1.3
251.16451	1.8
251.20102	1.6
269.04398	1.3
269.08020	2.6
269.17490	85.4
269.22504	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03939	3.5
55.01860	2.9
55.05268	1.2
55.05516	21.5
56.96565	3.2
57.03442	27.7
57.07081	6.1
65.03930	3.1
67.05511	80.4
69.03416	1.4
69.06725	1.9
69.07072	30.0
69.52032	5.5
69.52435	2.1
71.04993	6.4
71.08635	2.0
78.70151	1.0
79.05500	45.3
81.03416	2.4
81.07064	100.0
83.04987	10.9
83.08628	21.8
85.02899	1.9
85.06539	6.4
91.05487	32.4
93.07051	73.8
95.04980	7.8
95.08614	27.0
97.06537	17.6
97.10170	3.3
97.77093	1.0
98.97578	1.8
99.04485	2.2
99.08089	4.5
104.42732	0.9
105.07035	13.3
107.07869	1.9
107.08601	37.0
109.06507	4.1
109.10143	7.5
111.08089	9.2
111.11710	1.4
117.07023	11.5
119.08591	6.2
121.06570	5.6
121.10159	19.2
123.08096	1.8
123.11681	4.6
131.08583	15.0
133.10143	15.6
135.08083	2.1
135.11703	13.9
136.06148	1.8
137.06554	1.2
139.11174	1.6
143.08607	1.4
145.10155	2.8
147.11658	2.4
149.09608	3.9
149.13268	41.9
150.05490	1.7
151.11159	3.2
159.10443	2.1
159.11707	34.0
161.13316	2.8
167.14235	1.1
171.11635	1.6
177.09105	1.5
177.12773	16.2
179.05670	1.9
179.14388	1.8
195.13826	19.4
199.14900	2.5
209.11505	1.5
213.14670	1.8
213.16545	1.9
248.11658	1.3
251.16451	1.8
251.20102	1.6
269.04398	1.3
269.08020	2.6
269.17490	85.4
269.22504	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03942	2.8
55.01870	2.9
55.05518	20.1
57.03441	35.0
57.07065	3.4
65.03928	3.2
67.05508	86.0
69.03413	1.5
69.07074	35.5
69.49776	4.0
69.50201	5.0
71.04984	5.3
71.08626	1.9
73.02921	1.4
77.03902	1.2
79.05496	46.3
81.03414	1.8
81.07061	100.0
83.04616	1.1
83.04990	12.1
83.08630	22.3
85.06539	7.6
91.04969	2.1
91.05489	26.2
91.47853	1.1
93.07049	81.7
95.04970	8.3
95.08046	2.4
95.08612	30.0
97.06541	17.0
97.10175	2.7
98.21163	4.5
98.97562	2.6
99.08080	4.8
105.04496	1.6
105.07045	10.9
107.07866	2.2
107.08601	44.9
109.06532	4.3
109.10132	7.1
111.08086	12.8
111.11710	1.7
113.06010	1.9
113.09646	1.4
117.07021	10.1
119.08576	4.6
121.06537	6.4
121.10149	28.4
121.11018	1.7
123.08060	1.6
123.11688	3.7
131.08592	11.3
133.10139	10.0
135.08078	2.4
135.11705	15.5
136.02803	1.3
139.07521	1.6
139.11201	1.7
143.08516	2.0
145.10129	3.7
147.11697	2.7
149.13271	61.3
150.05573	1.4
151.11162	1.2
157.10123	2.9
159.11693	28.0
161.13152	1.6
167.14290	2.3
173.13232	1.4
174.10016	1.6
175.65614	1.3
177.12772	14.2
188.11577	3.2
191.08632	1.2
191.14305	8.2
191.17987	2.0
195.12157	2.3
195.13832	20.6
199.14854	1.8
206.12607	1.5
213.16435	2.6
216.10965	2.0
249.08885	2.6
251.20016	1.7
265.99048	1.3
269.17499	83.0
269.22595	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	269.2113
Annotation	(+)-Isojuvabiol
Peak:m/z	Relative Intensity
51.02376	2.0
53.03942	5.4
53.91346	2.2
55.01880	6.4
55.05512	31.5
56.40395	1.9
56.96560	2.6
57.03436	4.8
57.07080	26.9
60.64427	2.2
61.02945	2.6
65.03944	1.9
67.05509	91.9
69.03428	3.4
69.07072	54.4
69.37619	1.8
69.44698	15.4
71.04990	7.6
71.08643	23.1
75.04465	3.5
79.05499	67.5
81.03426	5.6
81.07065	100.0
83.04982	11.4
83.08617	23.6
85.06541	13.6
85.10196	16.4
91.05482	20.5
92.17199	1.9
93.07056	75.3
95.04971	8.3
95.08620	92.4
97.06539	20.8
97.10178	11.8
98.97594	5.0
99.08089	3.3
105.07046	12.9
107.04973	7.2
107.08603	42.0
109.06556	3.9
109.10157	50.3
111.04445	8.8
111.08103	7.9
111.11757	3.4
113.09703	3.5
115.03934	2.5
117.07034	3.9
119.03075	2.0
119.08608	10.7
121.06532	10.3
121.10152	86.8
123.08068	4.2
123.11731	15.8
125.05992	27.5
125.09651	4.9
129.05504	5.6
131.08577	12.2
133.10158	12.7
135.04407	6.7
135.08061	4.1
135.11707	56.6
137.09628	4.0
137.13245	10.7
139.07535	6.0
139.11169	4.3
143.07068	17.8
143.08176	2.5
143.08543	2.3
145.10141	11.0
147.11703	7.0
148.81921	2.3
149.09683	5.0
149.12155	3.3
149.13260	22.4
150.05579	3.0
151.14856	2.6
153.09041	2.9
155.14319	14.0
157.10159	6.0
159.11687	17.5
161.13287	2.7
163.03912	11.3
163.11246	2.7
167.07002	9.8
167.10626	2.5
169.04982	3.7
171.11711	4.0
173.13313	3.9
177.05449	2.7
177.12767	7.7
179.95285	2.2
187.14874	3.6
189.16417	5.1
191.17964	96.3
195.06534	24.4
195.13853	5.1
199.14857	5.1
205.19505	5.1
209.08228	5.1
209.19037	51.4
213.16412	5.1
215.17964	14.1
223.20566	17.8
227.08983	3.3
233.18941	14.9
235.34927	2.6
237.07584	4.1
251.20082	33.4
269.17575	11.2
269.21231	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	269.2115
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
53.03939	2.4
53.65700	0.8
55.01876	6.5
55.05516	39.1
57.03433	4.0
57.07063	2.4
59.05021	3.9
59.05249	0.8
62.95607	0.7
65.03936	1.5
67.05510	62.0
69.03423	1.9
69.07073	37.4
69.31877	7.1
71.04985	5.1
72.24772	0.8
73.06558	1.6
74.49123	0.8
77.03938	0.9
79.05502	32.6
81.07063	83.9
83.04571	0.8
83.05003	6.3
83.08149	1.3
83.08630	23.0
85.06548	4.2
91.05479	12.6
93.07058	42.1
95.04979	2.2
95.08616	83.9
97.06542	13.3
97.10175	19.3
99.08108	1.6
105.07035	9.6
107.08603	23.5
107.68719	0.7
109.06532	2.0
109.10168	49.1
111.08085	6.7
111.11717	3.0
117.06998	2.3
119.08599	7.9
121.06501	2.7
121.10158	30.5
123.08031	1.8
123.11717	18.3
125.09623	7.7
131.08589	7.1
133.10149	11.8
135.08052	1.1
135.11702	13.3
137.09612	5.8
137.13234	4.5
139.07579	0.9
139.11172	7.9
141.09131	0.9
145.10156	8.6
145.55055	0.8
147.11720	6.1
149.09676	1.3
149.13260	9.2
151.11232	5.4
155.10667	1.2
159.11702	7.6
161.13239	2.2
163.11151	2.2
163.14807	1.3
165.12750	1.7
167.10663	2.8
168.06525	2.4
169.06915	2.7
169.12178	1.2
171.11671	0.9
173.11766	1.2
173.13235	4.3
175.14793	2.1
177.12730	2.8
181.12131	1.9
185.13351	0.9
187.13272	1.6
187.14824	1.9
189.11172	0.9
189.16368	1.8
191.14374	0.9
191.17935	2.6
195.13800	3.3
203.12769	2.4
205.19536	4.5
209.15468	1.2
213.16316	1.1
215.17970	18.1
223.44398	0.9
226.10556	1.0
227.11140	3.8
233.19019	31.4
251.20084	100.0
269.12051	1.1
269.17923	1.9
269.21045	20.6
277.18088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2113
Annotation	(+)-Isojuvabiol
Peak:m/z	Relative Intensity
53.03944	4.5
55.01860	4.5
55.05516	25.2
56.96567	7.8
57.03188	1.6
57.03442	18.9
57.07078	14.1
65.03939	1.7
67.05511	83.6
69.03416	3.1
69.07072	42.6
69.35709	9.5
71.05000	6.2
71.08636	11.5
79.05499	52.7
79.05961	2.9
81.03442	3.0
81.07063	100.0
82.50257	1.1
83.04993	10.5
83.08624	20.0
85.06562	7.9
85.10190	6.6
91.05490	26.9
93.07051	72.0
95.04958	7.3
95.08614	59.3
95.09240	1.9
97.06544	19.1
97.10175	4.9
98.97585	3.6
99.08100	4.5
105.07039	13.4
107.04961	2.8
107.08604	39.1
109.06530	2.8
109.10165	24.8
111.04434	2.6
111.08078	9.9
111.11727	2.9
113.09668	1.7
115.03971	1.2
116.07784	1.6
117.07014	10.1
119.00200	3.2
119.08582	5.6
121.06518	8.0
121.10149	47.1
123.08077	2.6
123.11736	7.4
125.06006	12.3
125.09607	1.7
127.07606	1.7
127.11234	1.6
129.05470	2.9
129.07040	1.4
131.08582	9.4
133.10117	12.4
135.08072	3.1
135.11703	34.0
135.12717	2.5
136.06236	2.6
137.13242	4.2
139.07544	1.9
139.11166	4.0
141.97888	1.2
143.07045	6.8
145.10101	3.4
147.04509	1.2
147.11687	3.4
149.09714	3.0
149.13269	33.4
150.05519	1.6
151.11200	1.6
153.09126	2.0
155.14314	6.1
157.10104	3.0
159.11713	20.9
161.13171	2.1
163.03918	4.2
163.11154	2.6
169.10114	2.1
173.13200	2.5
177.12746	10.6
189.16505	1.6
191.17958	35.4
195.13821	12.6
205.19498	2.8
206.23753	1.5
207.06569	5.7
209.19017	22.0
211.10945	1.5
215.17937	7.0
223.20578	6.5
233.19046	4.6
246.04614	1.5
248.60504	1.8
251.20096	14.1
269.08292	1.7
269.17499	44.8
269.21149	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	269.2265
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
54.37474	0.5
55.05512	3.8
57.07063	1.1
67.05502	3.1
69.07076	5.4
69.79124	0.9
69.79535	1.8
79.05505	2.2
81.07063	3.1
83.08611	2.1
91.05484	2.6
93.07043	3.3
95.08605	3.2
97.10149	1.7
104.99224	0.5
105.07035	7.8
107.08614	5.1
109.10165	3.3
111.11698	0.7
117.07021	2.2
119.08584	4.4
121.10136	2.1
123.11719	4.4
128.06258	1.5
129.07004	2.0
130.07790	1.5
131.08597	4.8
133.03493	1.8
133.10135	45.4
135.11688	1.7
135.34506	0.5
142.07784	1.8
143.08553	4.0
144.09320	1.9
145.09048	0.8
145.10135	14.0
147.11693	15.7
149.13315	1.4
151.04526	0.6
155.08499	1.2
156.09366	4.6
157.10139	6.1
158.10957	1.3
159.11700	14.6
161.13293	3.0
169.10187	1.0
170.10924	3.6
171.11700	37.9
173.13287	8.2
184.12469	1.3
185.13274	27.1
187.14778	1.2
199.14865	4.7
201.06110	0.6
210.25374	0.5
213.16414	1.4
228.86411	0.5
269.22647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2266
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.05503	2.6
57.07061	1.1
62.43679	0.6
64.68533	0.6
67.05502	2.2
69.07080	6.2
71.57388	1.2
73.67778	0.7
74.48505	0.6
79.05502	1.1
81.07059	4.2
83.06123	0.9
83.08636	1.2
91.05476	2.4
93.07040	2.7
95.04967	0.7
95.08617	2.7
97.06523	0.7
97.10185	1.0
103.35439	0.7
105.07035	7.8
107.08596	4.2
109.10165	2.5
111.11743	1.0
115.05482	0.8
117.07037	1.9
119.08607	4.8
121.10159	4.0
123.11722	3.6
128.06238	0.9
129.07008	2.5
131.08604	3.5
131.09396	0.6
133.10143	43.4
135.11720	1.2
141.07089	1.0
142.07787	2.3
143.08559	4.6
144.09322	1.7
144.27670	0.6
145.10132	12.9
147.10513	0.8
147.11696	15.8
149.09543	0.7
149.13235	1.3
155.08545	1.0
156.09348	3.8
157.10143	4.4
158.10860	1.2
159.11702	15.1
161.13223	3.5
167.03331	0.7
169.10124	1.2
170.10933	2.9
171.11707	35.6
173.13295	7.6
184.12473	1.8
185.13272	27.1
187.14775	1.4
199.14842	5.0
213.16425	1.2
269.08252	0.9
269.22662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11638	0.7
55.05502	3.0
57.07068	2.0
60.27216	0.7
67.05497	1.0
68.28457	0.7
69.07072	8.1
71.08623	0.8
71.59136	0.9
72.51063	0.7
72.68034	0.7
79.05511	1.2
81.07047	1.1
83.08628	1.4
91.05492	2.2
93.07051	1.4
95.08595	2.5
97.10191	1.5
104.65038	0.7
105.07010	4.6
107.08597	3.2
109.10165	1.3
111.11700	1.1
118.04722	0.7
119.08582	2.9
121.10165	2.4
123.11710	1.6
129.07045	1.7
131.08574	3.3
133.10146	26.0
135.11732	0.9
142.07800	1.3
143.08586	1.8
144.09352	1.1
145.10136	16.1
147.11696	9.0
149.13235	0.7
155.08612	1.0
156.09367	2.2
157.10149	3.6
158.10905	1.7
159.11714	15.3
161.13225	1.7
163.14973	0.9
169.10165	0.9
170.10913	2.1
171.11711	25.5
173.13290	6.8
184.12416	1.2
185.13292	5.9
199.14833	2.4
201.52351	0.9
213.16393	2.2
213.24928	0.7
227.18082	0.8
269.22665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
56.96570	3.6
57.03431	3.2
59.01369	2.4
59.05009	18.7
59.21739	2.4
70.17552	8.4
71.01369	3.6
73.06561	9.3
75.04494	11.1
83.07395	2.1
85.00220	2.5
85.02903	4.4
87.04472	29.2
89.06036	4.9
91.07607	2.2
97.02889	2.4
98.97588	4.3
103.03957	12.5
103.05495	3.2
105.07026	5.2
120.08084	4.1
131.03387	14.4
132.08090	7.7
134.09656	3.7
136.06190	12.1
139.08676	2.1
161.04456	41.7
165.14954	2.3
194.08124	2.4
206.11792	5.5
217.03464	100.0
224.09361	3.2
224.12875	19.7
235.04541	26.0
252.12302	6.2
270.08466	3.0
270.13419	27.7
273.82791	2.4
287.00662	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1126
Annotation	Apohaemanthamine
Peak:m/z	Relative Intensity
53.03938	0.6
55.09790	0.1
60.71260	0.1
70.92270	0.2
74.23859	0.1
77.03927	0.3
78.03449	0.3
78.14911	0.1
79.05485	0.4
91.05489	2.3
93.07052	4.3
93.09606	0.1
95.04970	0.5
96.04498	0.8
98.20888	0.2
103.05473	3.0
104.04997	1.2
105.04512	0.3
106.06554	3.1
121.06511	36.9
122.06036	2.5
132.04398	0.1
150.05511	100.0
151.05878	0.3
212.04686	0.2
225.38138	0.1
227.07048	0.7
242.09087	0.2
255.06505	0.7
270.08948	1.1
270.11261	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1127
Annotation	Apohaemanthamine
Peak:m/z	Relative Intensity
50.01599	0.1
51.02378	0.1
53.03951	0.5
55.01875	0.2
56.96582	0.1
59.05003	0.1
68.14619	0.1
70.73576	0.2
70.73901	0.1
77.03957	0.3
78.03455	0.2
79.05507	0.5
81.07058	0.1
91.05490	2.3
93.07052	4.0
95.04979	0.6
96.04496	0.6
98.97598	0.3
103.04783	0.2
103.05475	3.1
104.04985	1.0
105.04505	0.3
105.05764	0.1
105.06992	0.1
106.06560	3.5
107.08615	0.2
112.73770	0.1
119.08594	0.1
121.06513	36.6
122.06042	2.6
122.06893	0.2
124.03961	0.1
132.04483	0.1
133.10149	0.2
150.05515	100.0
151.05865	0.2
166.04950	0.1
175.14781	0.1
193.15929	0.1
238.06731	0.3
244.99692	0.1
247.07451	0.2
270.11258	22.2
271.11597	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	270.1127
Annotation	Apohaemanthamine
Peak:m/z	Relative Intensity
51.02382	0.2
53.03951	0.5
55.01850	0.1
56.96566	0.2
70.66060	0.3
77.03500	0.1
77.03931	0.3
78.03425	0.1
79.05496	0.4
81.07040	0.2
91.04961	0.2
91.05494	2.4
93.07051	4.2
95.04976	0.7
95.08611	0.2
96.04499	0.7
98.97617	0.2
103.05474	3.0
104.05005	0.8
105.04532	0.4
105.05738	0.1
106.06564	3.4
121.06513	36.4
122.06044	2.6
122.06886	0.2
131.08531	0.1
148.58704	0.1
150.05515	100.0
150.93027	0.1
151.05844	0.4
212.32182	0.1
255.06573	0.1
270.11252	22.7
271.11639	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	271.058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	15.3
55.05521	13.5
56.96562	14.9
57.03432	18.7
61.02932	20.9
69.03423	42.9
71.04990	38.9
71.57029	16.1
73.02911	19.5
73.48573	13.0
74.82375	12.7
85.02914	98.6
89.37993	11.9
91.05474	26.5
93.07050	20.7
97.02880	28.3
98.97584	35.9
101.00876	32.8
109.03210	57.0
110.97607	17.4
113.00866	14.5
115.02452	17.9
116.98640	23.6
119.01900	48.5
120.01994	14.2
122.03994	13.1
127.03924	21.7
131.05003	14.2
136.06287	14.7
137.05939	24.8
139.05067	17.5
163.03937	24.7
164.42697	15.5
180.04616	18.8
181.93513	13.6
185.02937	13.3
211.07561	20.9
216.00510	22.6
223.06621	16.4
225.09259	24.3
271.05722	100.0
271.09622	57.9
271.13388	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	271.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33257	0.1
65.03950	0.2
67.01870	1.2
68.99801	1.3
69.03443	0.2
69.22637	1.4
76.43350	0.1
84.35899	0.1
85.02903	0.2
91.05486	1.6
97.02884	0.2
98.97584	0.4
105.41481	0.1
109.06516	0.2
110.97590	0.2
111.00800	0.2
113.81926	0.1
116.98621	0.1
119.04954	4.6
121.02880	1.6
122.95982	0.2
129.01831	0.2
132.87248	0.1
137.06021	0.2
145.02849	1.8
147.04340	0.2
153.01842	11.0
153.07031	0.2
163.03943	0.9
165.05501	4.0
165.06912	0.3
168.05637	0.3
171.02858	0.7
173.06020	0.2
181.06537	0.1
183.08012	0.2
185.06036	0.2
187.03888	0.5
191.14284	0.2
193.06523	0.1
193.86647	0.1
196.05228	0.8
197.06012	0.6
203.07043	0.3
207.06430	0.2
210.06808	0.2
211.07559	1.7
213.05325	0.6
219.01674	0.2
225.05496	0.9
227.07114	0.3
228.07573	0.8
229.04996	0.5
238.06216	0.1
239.07103	0.8
239.09154	0.3
240.07831	0.8
243.06429	0.8
243.10167	0.3
247.06171	0.2
253.04984	0.3
256.07141	1.0
271.06033	100.0
271.09259	4.9
272.06360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0592
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.30384	0.0
55.01861	0.0
55.64710	0.0
65.03924	0.1
67.01869	1.4
67.95139	0.0
68.99791	0.8
69.58254	0.3
75.11939	0.0
81.03442	0.1
91.05488	1.0
97.02882	0.1
109.02935	0.1
111.00797	0.2
119.04954	4.6
121.02876	1.3
125.02354	0.1
129.01854	0.2
129.09863	0.0
131.04955	0.1
135.00778	0.1
141.06996	0.1
145.02852	1.3
145.03995	0.1
148.16640	0.0
153.01837	10.0
155.04921	0.1
157.06505	0.1
163.03912	0.8
165.07033	0.2
168.05638	0.1
169.06471	0.2
171.02908	0.5
173.05981	0.1
185.05931	0.1
187.03912	0.3
196.05190	0.2
197.05971	0.3
201.05522	0.1
202.06293	0.1
203.07080	0.2
211.07553	0.3
213.05438	0.1
215.06989	0.1
225.05524	0.5
228.07567	0.2
229.04999	0.5
239.07086	0.2
240.07849	0.1
243.06514	0.7
243.10381	0.0
247.06107	0.2
253.05026	0.2
254.05791	0.1
256.07227	0.2
270.05103	0.1
271.06024	100.0
272.06281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0604
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.73872	0.1
52.73854	0.1
53.03937	0.2
55.05300	0.1
55.05517	1.3
56.70532	0.2
57.03424	0.6
58.62499	0.1
65.03947	0.2
65.93687	0.1
67.01869	1.3
67.05508	1.9
68.99782	0.8
69.03432	0.2
69.07065	1.3
71.04998	0.2
79.05498	1.0
81.07058	3.5
83.04996	0.2
83.08633	0.8
85.06523	0.3
91.05477	2.2
93.07054	1.8
95.08608	3.0
97.06542	0.4
97.10176	0.2
98.21588	0.3
98.97604	1.1
103.58366	0.2
105.07046	0.9
107.08589	1.1
109.10159	0.6
116.98606	0.2
119.04948	4.1
119.08588	0.8
121.02886	1.5
121.06528	0.8
121.10136	0.5
122.06852	0.4
123.08058	0.2
124.99081	0.2
133.10133	0.6
135.11705	0.4
137.13234	0.3
145.02829	1.5
149.13297	0.2
150.05539	1.1
151.03909	3.0
151.05817	1.1
153.01831	10.0
155.04825	0.1
158.99658	0.2
161.13286	0.9
163.03949	0.7
169.06467	0.2
171.02927	0.3
179.14307	0.5
185.84608	0.2
187.03934	0.3
201.00710	0.2
203.07185	0.2
225.05479	0.3
229.05011	0.4
229.60049	0.2
230.14348	0.4
243.06514	0.6
247.05785	0.2
249.02820	0.5
251.10513	0.3
271.06021	100.0
271.18997	2.5
272.06375	0.4
291.03860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.0
55.01857	3.4
55.05497	2.3
56.96564	18.7
57.03440	8.0
57.07051	1.8
58.16673	1.2
61.02923	7.9
63.95833	1.3
67.05476	5.1
69.03433	15.5
69.07043	1.4
70.06596	9.6
71.04963	5.9
71.56992	1.9
72.08132	1.2
73.02910	9.1
77.00775	1.3
79.05486	8.6
80.00257	1.7
81.03381	5.9
81.07049	7.1
82.99810	1.2
83.00771	1.8
83.04951	4.0
84.08125	3.4
84.96025	2.8
85.02911	20.9
85.06545	2.6
86.03210	2.3
86.09682	1.7
87.00974	1.1
87.04441	3.1
89.00758	4.1
89.79736	1.3
90.01574	1.3
91.03893	1.3
91.05499	7.9
92.05791	1.5
93.07058	9.4
94.07380	1.4
95.04939	4.8
95.08625	12.0
96.01534	1.9
97.02888	10.1
98.01254	4.7
98.06044	1.2
98.97589	60.7
99.04420	3.2
99.97868	1.4
101.00850	3.5
102.01502	2.8
102.51629	1.2
102.96856	1.6
103.05421	2.1
103.84904	1.2
105.04521	1.2
105.07017	7.8
107.01765	2.8
107.04943	2.4
107.08594	2.4
108.30609	1.3
109.02858	2.9
109.06493	2.8
109.10124	1.6
110.01233	3.2
110.07143	1.7
110.97578	7.3
111.02022	5.8
111.04444	1.8
111.08044	1.7
112.07573	3.9
112.99126	3.4
116.97929	1.4
116.98631	15.8
119.01865	11.2
119.04942	2.3
120.02623	9.9
121.06519	21.7
122.06793	4.5
123.01996	2.7
123.08085	12.8
124.07566	1.7
124.99100	4.9
124.99949	1.5
125.01749	2.4
126.09173	2.0
127.03900	5.5
128.02271	2.9
128.98598	7.5
129.03116	13.6
129.03932	2.3
130.08595	2.8
131.00124	3.7
132.02516	1.8
134.02267	1.9
134.99606	5.0
136.06198	59.8
137.06473	54.9
138.05380	2.8
138.06885	4.1
138.07744	1.7
139.04953	3.7
139.77956	1.2
140.02255	3.4
141.03093	2.9
143.00169	7.3
143.01842	2.2
144.04376	1.9
145.03391	3.4
145.05002	2.8
146.02275	3.4
146.99579	3.7
148.03835	1.8
149.01204	2.5
149.02992	1.4
152.10266	1.4
153.01830	2.1
153.03038	4.9
154.03862	3.0
155.02817	1.8
158.99660	13.3
161.01187	9.2
161.02853	5.0
162.03523	2.8
163.03932	6.5
166.05675	2.6
168.03529	1.4
170.99615	3.2
171.04129	6.0
171.05148	1.7
172.95236	1.5
173.01237	2.6
175.04655	1.5
175.06203	4.7
177.00732	8.5
179.02290	6.1
179.04602	1.9
180.04004	1.9
180.05443	27.8
180.55647	7.2
181.06284	6.1
183.04152	3.0
184.07286	2.0
185.01227	1.9
185.06566	1.9
186.04439	1.8
187.04375	1.8
189.00540	1.8
189.04398	2.2
189.05983	27.4
189.56058	6.3
190.05142	1.3
190.06760	14.0
192.04684	56.4
192.54829	7.8
193.04893	1.9
194.04324	2.1
194.09245	2.0
197.04814	2.1
197.09222	3.8
198.06422	1.7
200.56596	2.4
201.05133	1.8
202.06735	2.6
203.02226	1.8
203.03996	2.5
203.05762	1.4
211.07298	4.3
213.02083	1.4
219.01752	3.0
220.03645	2.6
221.03276	7.1
225.09467	1.9
229.05493	3.5
237.02855	1.8
239.04382	15.6
240.04578	2.1
248.03226	4.1
253.09015	4.0
261.58005	2.2
262.08746	4.7
270.58609	5.0
271.06000	14.2
271.09286	100.0
271.13651	6.3
271.16855	3.4
271.26306	2.0
271.59525	7.0
281.05328	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	Methyl-liquiritigenin
Peak:m/z	Relative Intensity
51.02398	0.3
53.03949	1.1
55.01884	0.2
60.96111	0.1
65.03960	0.5
67.05510	3.7
69.32755	1.1
77.03934	0.8
79.05511	0.4
91.05478	0.9
93.07050	1.3
95.04972	2.0
95.08569	0.1
103.05474	0.8
105.03391	1.6
105.04546	0.4
107.04966	1.4
110.61767	0.1
121.06516	7.5
122.06853	0.3
123.04469	1.3
133.02812	0.7
136.64774	0.1
150.05515	0.8
151.03915	100.0
152.04366	0.3
165.05479	0.5
188.55923	0.1
254.96263	0.1
271.09601	5.5
279.62112	0.1
292.58011	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	271.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.3
53.03949	1.1
55.01884	0.2
60.96111	0.1
65.03960	0.5
67.05510	3.7
69.32755	1.1
77.03934	0.8
79.05511	0.4
91.05478	0.9
93.07050	1.3
95.04972	2.0
95.08569	0.1
103.05474	0.8
105.03391	1.6
105.04546	0.4
107.04966	1.4
110.61767	0.1
121.06516	7.5
122.06853	0.3
123.04469	1.3
133.02812	0.7
136.64774	0.1
150.05515	0.8
151.03915	100.0
152.04366	0.3
165.05479	0.5
188.55923	0.1
254.96263	0.1
271.09601	5.5
279.62112	0.1
292.58011	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	271.0966
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03942	1.0
55.01873	4.4
55.05520	1.2
56.65708	0.5
57.03422	1.2
57.07066	0.5
65.03944	1.2
67.05493	1.2
69.03421	1.3
69.07055	0.6
71.57474	0.7
71.57893	0.8
73.02927	1.3
79.05493	1.8
81.03430	1.2
81.07064	3.2
83.04983	1.4
85.06535	0.9
89.03929	0.7
91.05489	10.5
93.07039	2.2
95.04988	3.3
95.08605	1.0
95.47139	0.6
97.02887	1.6
98.97578	1.0
102.85577	0.5
103.05453	0.6
105.07018	1.0
107.04963	3.1
107.08601	1.4
109.02895	0.7
110.97556	0.6
111.04436	0.7
115.05464	2.1
115.46774	0.5
116.10715	0.6
117.03372	0.7
118.04154	1.7
119.04958	7.7
119.08593	1.2
121.02871	1.1
121.06533	3.4
121.10126	1.2
123.04417	1.8
123.08116	0.8
124.05199	1.2
127.11154	1.1
128.06171	1.0
129.06990	2.0
131.04915	0.9
133.02870	0.9
133.10118	1.0
134.03636	1.6
135.04457	1.3
135.08060	1.3
137.05998	6.2
140.06206	1.3
141.07013	4.7
142.07762	1.1
143.04944	0.8
143.08585	0.7
145.06519	1.1
147.04395	1.3
149.05974	2.4
149.09624	0.6
150.06772	1.5
152.06226	5.3
153.07004	22.7
154.07794	3.3
155.08562	13.4
157.06476	2.9
160.01369	0.6
161.05821	0.6
165.07010	56.5
167.03067	0.6
167.08496	0.8
168.05714	8.9
169.06532	4.4
170.07283	1.5
171.08043	0.9
171.11739	0.6
178.07780	0.6
179.04913	1.1
179.08557	1.6
181.06487	13.2
181.08115	0.7
182.07274	6.0
183.08063	27.6
185.05898	3.3
185.09680	0.6
193.06305	8.6
193.07693	2.0
194.07237	1.6
195.08112	1.1
196.05214	6.4
197.05986	5.6
197.09619	1.2
198.06755	1.8
198.14923	2.5
199.07539	1.8
200.08315	3.9
207.04422	2.9
207.07991	0.7
209.05948	1.9
210.06801	4.3
211.07558	36.4
212.08287	3.9
213.05423	2.1
213.09138	1.4
215.11014	0.5
221.05968	11.1
223.03152	0.6
225.05505	0.9
225.09103	3.3
226.14421	2.6
227.07042	1.7
228.07745	5.3
239.04819	0.9
239.07037	7.8
240.07806	2.2
241.08734	1.0
242.09395	3.9
243.10228	4.2
250.06155	1.0
253.08557	0.9
256.07227	3.4
271.06421	3.7
271.09659	100.0
271.16855	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.4
55.05519	3.7
57.03432	1.7
67.05512	10.9
69.03417	2.9
69.07069	6.2
69.41671	12.3
71.04984	3.8
79.05491	9.6
81.07057	22.7
83.04999	2.2
83.08601	3.6
85.06521	2.9
90.94892	1.5
91.05482	12.4
93.07059	21.0
95.04970	4.8
95.08626	13.9
97.02885	3.2
97.06524	9.7
98.97588	4.5
99.04440	3.3
101.05981	2.3
105.07037	23.1
107.04932	2.4
107.08598	23.0
108.73157	1.8
109.06521	13.5
109.10161	9.2
111.04435	1.6
111.08072	3.5
112.10645	1.9
113.06100	1.7
119.04955	6.0
119.08588	15.4
121.06527	14.8
121.10149	18.2
123.04458	1.7
123.08077	5.9
123.11716	18.9
127.07578	6.4
133.10138	6.4
135.08067	7.7
135.11685	2.3
137.06021	3.9
137.09610	3.1
137.13345	1.9
139.07550	5.5
141.07022	2.8
143.08502	2.8
145.02888	1.9
145.10094	2.2
147.04398	2.1
147.11699	61.3
149.13298	7.8
151.03915	17.6
153.01842	7.2
153.06978	6.5
155.08539	2.8
157.08772	2.3
157.10158	2.3
161.13275	5.6
165.05467	4.8
165.07005	15.7
165.12766	68.1
168.05745	3.2
171.11652	5.5
175.11192	6.3
181.06454	4.8
182.07275	3.9
183.08131	8.3
183.13800	16.2
189.12740	6.8
191.14293	3.7
193.06541	3.0
193.12260	11.9
196.05223	3.6
197.05951	2.0
199.11215	3.2
207.13812	6.4
209.15451	2.2
210.06821	2.8
211.07558	14.0
211.13318	1.8
217.12239	12.4
217.19563	2.0
221.06007	3.3
225.09171	3.0
225.97522	1.8
228.07733	5.3
229.14368	43.8
235.13351	21.4
239.07043	5.3
241.05078	1.7
243.10268	2.5
253.14403	33.9
255.45729	1.8
256.07114	5.7
267.21976	1.6
271.06021	100.0
271.09598	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1694
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
50.80268	2.3
55.05503	4.5
56.96544	2.8
57.07044	3.1
65.09714	2.2
67.05490	8.6
69.03429	4.4
69.07065	5.8
71.04999	18.3
71.59044	4.0
79.05504	14.2
81.03398	2.5
81.07052	19.6
83.08611	2.9
84.82969	2.3
85.06535	5.3
91.05482	23.0
93.07045	35.8
95.04959	10.3
95.08619	19.5
97.06534	2.8
98.97594	4.2
105.07036	50.1
107.08592	21.0
109.06519	100.0
109.10168	6.5
111.08105	5.2
115.05463	7.6
117.06998	12.4
119.04952	5.7
119.08578	19.2
121.06504	3.4
121.10137	3.6
123.08111	7.3
128.06250	7.3
129.07027	9.6
130.07785	4.5
131.08606	23.9
133.10115	5.6
135.08064	50.1
137.09654	13.8
141.06985	8.2
142.07805	7.9
143.08559	32.5
145.10133	32.0
147.04510	2.6
147.08037	6.3
147.11699	5.7
148.08775	2.8
149.09627	14.1
153.01819	7.2
153.07036	5.5
154.07796	4.7
155.08537	18.9
156.09325	13.6
157.10162	10.8
159.08037	6.8
159.11725	15.8
161.09644	4.1
165.07014	20.2
167.08571	5.8
168.09306	3.7
169.10149	20.8
170.10837	5.6
171.11696	44.1
173.09569	3.6
179.08560	6.7
180.09308	15.5
181.10136	6.1
183.08122	3.4
183.11722	11.3
185.13266	11.7
187.11220	5.7
187.14758	4.6
191.10587	3.1
195.11711	53.5
196.12471	9.6
197.13123	3.2
198.10381	7.0
200.89079	3.3
201.12714	8.6
209.13316	5.4
210.14281	3.5
211.11212	4.4
211.14870	27.9
213.12758	54.0
228.15073	3.5
229.15883	9.3
230.30525	2.6
253.15836	13.7
271.06061	71.0
271.09433	8.2
271.14383	3.6
271.16928	37.6
271.20078	4.0
271.20810	4.1
271.24048	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
54.89635	1.7
55.01872	3.4
55.05513	62.4
56.96557	4.2
57.07078	17.2
59.57415	2.0
65.03924	2.5
67.05174	3.0
67.05508	51.0
69.03442	2.3
69.07070	100.0
71.04985	6.6
71.08622	6.2
71.58566	2.3
71.58926	2.2
79.05491	22.7
81.07059	78.3
83.04987	5.5
83.08624	64.4
83.45706	1.6
84.96024	1.7
85.06535	7.1
85.10210	1.9
85.90975	1.6
91.05480	26.4
93.07044	37.1
95.04971	3.6
95.08611	76.3
97.06535	13.0
97.09550	3.9
97.10175	62.5
98.97588	4.9
99.08092	7.6
103.05457	3.9
105.04520	2.1
105.07044	21.6
107.08605	23.0
109.10165	33.8
111.08076	6.8
111.11728	30.3
112.07587	3.3
113.09643	2.4
115.07586	1.9
117.06985	2.2
119.04955	4.5
119.08598	22.8
121.06513	48.7
121.10133	35.0
122.06834	2.2
123.08047	4.3
123.11712	16.3
125.09634	6.6
125.13290	7.5
127.10048	2.2
129.06961	2.1
129.09077	3.2
133.10133	28.9
135.11697	30.9
137.09624	6.4
137.13264	8.2
139.11172	9.5
141.06964	3.3
141.09158	2.8
143.10727	2.0
147.11694	23.5
149.13251	11.7
151.03912	8.3
151.11186	9.8
151.14810	6.9
153.01845	3.9
153.07013	6.3
153.12761	10.9
155.08563	4.5
155.10718	2.3
158.03093	1.9
159.08070	2.5
161.13280	20.2
163.14877	2.8
165.06981	16.5
165.12706	10.2
167.14381	2.4
168.05724	4.2
173.13300	3.7
175.14841	8.0
175.62566	2.2
176.50337	1.9
179.14308	9.4
181.06456	3.1
183.08080	6.8
187.02643	1.8
189.11227	2.3
189.16365	3.5
191.17871	3.0
192.56718	1.9
193.19498	8.9
196.05273	1.9
197.06007	3.4
211.07523	14.8
217.19530	50.4
218.99464	1.6
221.06024	2.5
225.08910	1.8
234.12111	1.9
235.20586	43.1
240.07500	1.8
240.40321	1.7
253.21643	22.7
254.15862	2.9
256.12079	4.4
271.06030	56.2
271.09622	36.1
271.14398	5.2
271.16934	2.3
271.20370	2.6
271.24265	3.2
271.28436	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05516	55.5
56.96556	2.5
57.03449	3.1
57.07082	14.6
67.05170	3.1
67.05508	44.1
68.41203	1.6
69.03426	1.8
69.07073	100.0
69.45649	5.3
69.46081	7.9
71.05020	3.6
71.08628	5.3
71.47356	1.5
74.87833	1.7
77.50507	1.6
79.05502	19.1
81.07063	64.7
83.04978	5.3
83.08627	61.8
85.06553	5.7
85.10178	2.2
89.96271	1.5
91.05485	21.0
93.07050	27.6
94.78653	1.6
95.08617	61.9
97.06549	10.0
97.10181	64.9
99.08092	3.5
105.07037	16.9
107.08610	18.6
109.06512	3.4
109.10171	34.0
111.08091	6.8
111.11737	24.1
113.09695	2.1
115.07538	1.9
119.04965	2.1
119.08604	21.2
121.06396	2.0
121.10149	26.9
123.08079	5.7
123.11707	10.2
125.09606	4.3
125.13289	5.3
131.08583	3.5
133.10138	19.6
135.11705	23.8
137.09639	6.7
137.13252	9.6
138.37636	2.0
139.11169	8.8
145.10115	3.1
147.11699	17.8
149.13278	5.8
150.05536	2.0
151.05933	2.2
151.11162	4.5
151.14822	7.8
153.01845	3.5
153.12756	8.6
156.97514	8.5
161.13271	18.6
163.14851	2.2
165.12749	7.1
169.12282	1.8
171.13745	1.9
173.09653	1.8
174.98557	5.5
175.14818	7.6
179.14330	7.9
182.00674	7.2
189.16411	2.1
193.15884	3.0
193.19550	6.5
194.99065	2.8
200.01701	6.7
211.24286	1.8
213.00089	8.6
217.19534	42.2
235.20607	28.7
238.03142	8.0
253.19412	2.8
253.21632	14.7
271.06024	20.8
271.16864	2.1
271.20523	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	272.1134
Annotation	Deidaclin
Peak:m/z	Relative Intensity
51.02382	0.4
51.93807	0.4
53.03946	0.9
53.54647	0.4
55.01857	0.8
56.96571	3.9
57.03448	2.1
61.02933	3.0
65.03945	4.3
67.05504	0.7
69.03435	5.4
70.06583	1.4
70.98122	0.5
70.99848	0.4
71.05003	1.3
72.08179	0.6
73.02929	3.8
79.05476	0.9
80.05024	0.9
81.03418	1.4
81.07035	0.4
82.99869	0.4
84.08135	1.7
84.96043	0.5
85.02421	0.8
85.02911	11.9
86.09695	0.9
87.04462	1.0
91.03964	0.6
91.05473	0.6
92.05012	58.6
93.05279	0.5
93.05801	5.4
93.07040	0.7
94.06573	9.5
97.02879	4.6
98.97591	5.7
99.04464	1.0
101.00887	1.6
102.01000	0.4
103.00645	1.1
109.02882	1.7
110.06049	100.0
110.80856	0.4
110.97610	1.0
111.02805	0.4
111.04417	0.6
111.06377	0.4
112.03573	0.4
112.99149	0.7
113.00889	0.6
113.56857	0.5
115.02448	0.7
115.03974	0.5
116.98628	1.2
117.02158	0.5
118.68324	0.4
119.01919	1.9
120.02029	0.6
121.01694	1.7
121.06524	2.1
123.05604	0.5
127.03953	3.5
128.98573	0.6
131.01875	0.6
132.03406	0.5
133.03482	0.6
135.03195	0.6
137.03004	0.5
137.81052	0.4
140.07034	0.5
140.98631	1.3
143.00180	1.2
143.01917	1.3
145.03505	1.0
145.04994	1.6
152.07082	3.3
153.04051	0.8
155.01888	0.5
157.03482	1.7
158.99654	2.2
161.01343	0.6
161.02934	1.4
163.03954	1.0
173.02991	1.2
177.00778	1.2
178.04990	0.5
182.03416	0.7
184.04514	0.5
185.02975	0.6
186.05986	0.7
189.00725	1.2
189.02446	0.5
190.05812	0.5
191.03920	1.2
194.08070	0.6
200.04407	0.9
201.00749	0.5
203.03947	0.7
212.05296	0.8
217.00139	0.6
219.01842	0.9
221.03183	0.7
231.64705	0.5
235.06621	0.9
239.85193	0.4
245.16624	0.4
248.99294	0.5
249.02682	0.7
249.08304	0.9
254.10234	2.7
254.12836	0.8
263.06100	1.0
272.07101	2.1
272.11304	36.3
272.13721	1.6
277.07626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.05516	0.8
56.05054	0.2
56.96566	0.7
58.06602	0.4
58.31337	0.2
58.99590	4.2
59.05001	0.2
59.73307	0.2
67.04250	0.3
67.05508	1.2
68.05029	0.2
69.03425	0.2
69.07066	0.4
69.66972	0.2
70.02948	0.8
70.06594	0.9
71.05000	7.0
71.57003	0.3
73.01121	0.3
74.00684	0.6
76.02234	1.0
79.05058	0.3
79.05501	3.8
80.05006	0.5
80.32621	0.2
81.05809	3.3
81.07064	4.4
82.06584	1.8
83.04990	0.8
83.08621	0.4
84.08160	0.3
85.01144	0.6
85.06561	0.3
86.00663	11.0
86.99062	1.2
88.02205	0.6
88.03999	9.1
91.05499	0.8
93.07085	1.2
94.06575	2.0
95.04971	0.6
95.07354	0.6
95.08611	0.2
95.55339	0.2
96.08140	0.6
97.01125	2.1
97.02916	0.2
98.00662	1.2
98.09720	0.3
98.97600	0.6
99.01409	0.6
99.02685	1.7
99.08107	5.9
100.02206	2.1
101.04252	0.5
102.03778	5.3
103.05477	0.3
105.00084	0.7
105.07063	1.0
106.06600	0.4
107.07358	1.6
107.08582	2.1
108.08114	0.7
109.06512	1.2
109.10160	2.1
110.06059	0.2
111.02682	1.2
112.02235	0.3
113.04242	4.6
114.02965	0.4
114.03768	8.9
118.03266	0.2
120.01163	0.4
121.06520	2.3
121.10135	0.5
122.02750	1.7
122.06818	0.4
122.09649	0.6
123.02664	0.5
123.11741	1.7
124.07619	0.2
124.99104	0.4
125.02985	0.2
125.04200	0.2
125.09641	2.6
126.03756	0.5
127.11213	2.1
128.05313	30.6
129.03725	0.8
131.00281	0.2
132.01164	9.4
133.10184	1.2
138.05505	0.3
140.05301	33.9
141.03690	0.6
143.00177	0.6
146.02727	0.8
146.06384	0.6
148.11243	0.2
150.12752	0.4
151.11189	4.8
156.08405	0.2
161.01193	0.4
163.11600	0.2
165.07372	0.5
165.80957	0.2
166.05121	0.3
168.13834	0.3
169.53604	0.2
172.04305	0.3
174.05862	26.0
182.10071	0.2
183.08403	0.9
186.05856	66.3
198.05704	0.2
200.11110	0.4
202.09019	0.3
208.11655	0.5
209.09984	0.4
226.12625	5.0
254.12094	4.2
255.10327	0.4
267.03839	0.3
272.13165	100.0
273.13358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	Microminutin
Peak:m/z	Relative Intensity
51.97375	0.3
55.01854	0.6
63.21589	0.3
65.03931	0.3
66.29734	0.2
69.03443	1.3
71.58093	0.3
71.58466	0.3
71.78925	0.2
79.05472	0.8
81.07039	0.7
85.02859	0.3
85.66827	0.3
89.03929	0.3
91.05479	0.7
93.07034	0.4
95.08585	0.5
95.88660	0.3
97.02897	22.5
103.05450	0.9
105.07013	1.7
109.10149	0.4
115.05490	2.1
118.04122	0.5
119.04902	0.5
120.88056	0.3
121.06522	0.5
128.06215	0.8
129.06987	1.1
131.04922	0.6
131.08504	0.4
133.06488	2.1
137.05975	0.6
139.05431	0.7
139.30345	0.3
141.06966	0.8
143.04912	1.8
145.02896	0.3
146.03613	2.6
147.04395	1.6
149.05980	1.0
151.03908	0.3
151.07536	0.6
152.06163	0.3
153.06992	1.4
155.04918	0.8
157.06485	1.5
159.04359	0.4
160.05205	1.1
161.05984	5.4
167.04916	1.0
169.06482	0.8
171.04407	0.4
171.08026	0.6
174.03139	10.5
174.06673	0.3
175.07559	2.5
175.56828	0.3
177.05460	0.5
181.06458	1.7
183.04381	0.8
184.05208	1.1
185.06026	0.9
187.07486	0.7
189.05478	100.0
190.05856	0.6
195.04547	0.5
197.05988	1.1
199.07555	2.0
200.04654	1.8
201.05470	0.6
202.06291	0.4
203.07066	0.8
207.06522	3.2
212.04745	1.4
213.05518	0.6
213.09090	0.8
214.06177	0.4
215.07045	6.6
216.07857	0.5
217.08630	1.0
227.07027	3.9
230.05745	0.3
231.06644	0.6
240.04092	0.3
241.08698	1.0
245.08078	2.2
255.06529	2.6
273.07593	23.9
273.11002	1.1
273.18570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	Microminutin
Peak:m/z	Relative Intensity
69.03440	1.6
69.50681	0.5
69.51091	1.5
70.26974	0.3
78.04774	0.3
79.05508	0.7
81.07054	0.4
91.05476	0.8
95.04971	0.3
97.02897	22.2
103.05433	0.8
104.98934	0.3
105.07032	2.4
115.05464	1.9
118.04161	0.4
119.04970	0.3
119.84794	0.3
121.06478	0.4
128.06207	0.6
129.06992	1.1
131.04959	0.5
133.06485	1.8
137.06017	0.6
139.05420	0.7
141.06999	0.9
143.04953	2.4
146.03606	2.0
147.04402	1.5
149.05994	0.8
151.03947	0.3
153.06958	1.3
155.04903	1.0
157.06519	1.4
159.04379	0.3
160.05202	0.8
161.05989	4.9
167.04913	1.1
169.06470	0.9
171.04385	0.7
174.03139	10.4
174.06914	0.3
175.07588	2.8
177.05479	0.6
181.06490	1.6
183.04376	1.0
184.05235	1.4
185.05966	0.6
187.07574	0.7
189.05475	100.0
190.05783	0.6
195.04443	0.5
195.07854	0.4
197.05994	1.1
198.06836	0.3
199.07515	2.0
200.04716	1.4
201.05498	0.5
203.07013	0.9
207.06476	2.3
212.04750	1.3
213.05473	0.7
213.09146	0.8
215.07027	7.0
216.07880	0.3
217.08699	0.8
223.60197	0.3
226.06081	0.3
227.07056	3.8
229.08652	0.5
230.05801	0.7
231.06631	0.5
240.04221	0.4
241.08694	0.6
245.08070	2.1
255.06508	2.5
273.07602	21.4
273.10944	1.0
273.18668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04668	0.4
51.32156	0.3
53.03956	0.5
54.47905	0.3
56.96573	0.7
62.20486	0.3
67.01868	1.8
68.99806	1.1
69.03428	1.5
69.35993	3.2
83.54419	0.4
90.24831	0.3
91.05486	6.2
93.07059	0.9
95.04986	1.9
97.02896	0.9
98.97586	1.0
103.05480	0.6
105.07043	0.9
106.91689	0.3
107.04297	0.4
107.04941	2.0
107.08602	0.4
111.00813	0.5
116.98662	0.4
119.04099	0.8
119.04955	16.2
121.06509	5.7
123.04447	3.4
147.04419	43.8
153.01839	100.0
171.02870	1.5
179.03441	1.2
186.70433	0.3
189.05502	1.3
231.06702	0.5
235.06369	0.5
255.06648	0.5
273.07590	94.4
274.07928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35399	0.4
56.91372	0.5
56.96565	1.0
57.03433	0.8
69.03413	2.0
70.06593	0.5
70.61501	1.3
71.04976	0.7
73.02901	1.9
73.12183	0.4
81.03427	0.5
85.02895	1.7
90.09153	0.4
91.03881	0.5
96.24752	0.5
97.02888	1.5
98.21464	0.5
98.97596	2.9
101.00884	0.8
110.97598	0.5
111.05570	1.5
111.06388	0.4
115.03927	0.6
119.01935	0.7
124.99107	0.5
131.01822	0.6
137.05940	0.8
143.01921	0.7
145.04961	0.5
149.02863	0.5
157.03455	0.5
158.99673	0.8
183.04988	0.9
203.04039	0.6
221.05103	0.7
223.06677	0.7
225.05971	0.6
239.04422	0.6
263.06046	0.5
273.09482	100.0
278.86224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.097
Annotation	4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
Peak:m/z	Relative Intensity
53.03951	1.4
53.76299	0.9
55.01875	1.6
59.05014	10.3
65.03948	3.4
68.86191	0.9
69.03438	9.3
71.04988	1.3
71.57057	1.1
71.57451	1.8
72.93816	1.1
79.00039	0.9
79.05492	3.8
81.03402	1.3
81.07076	1.7
83.04986	3.9
91.05505	2.6
93.03407	6.7
93.07021	1.2
95.01344	6.0
95.04985	7.1
97.02883	5.1
99.04442	2.9
101.06015	10.4
107.04976	8.6
109.06508	1.4
111.04459	4.2
121.02894	12.4
121.06492	1.3
123.00799	26.1
123.04462	2.4
125.05968	1.1
127.03905	3.2
129.05476	1.3
135.04456	9.8
137.05997	5.6
139.03932	3.1
141.01825	5.5
147.04451	2.8
149.02359	30.2
149.05925	1.0
153.05476	6.0
153.06894	2.4
155.03406	9.0
155.08554	2.5
157.06555	1.2
163.03891	6.4
167.03416	67.8
173.06131	1.2
177.05406	1.1
181.04977	100.0
183.08093	2.9
185.05981	2.1
191.03447	1.8
195.06549	3.1
199.06036	5.2
199.07645	2.0
203.07063	2.5
208.89061	1.0
209.04456	8.5
210.56616	1.0
211.07491	1.2
213.05534	2.6
213.07568	5.9
213.09280	1.0
223.06046	24.8
227.07069	4.0
229.08519	1.4
231.06676	1.7
241.07108	11.7
245.08171	2.8
255.06396	2.8
255.08678	10.9
273.07404	18.8
273.09692	2.8
273.18192	2.4
286.19092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03939	2.4
55.01859	6.5
55.05501	5.8
56.96553	3.1
59.04988	1.6
67.05236	1.5
67.05519	19.2
69.03423	6.6
69.06719	3.1
69.07070	46.3
69.58401	11.8
71.04996	12.6
72.08150	2.9
79.05490	11.8
81.07056	13.9
83.04984	7.7
83.08631	1.8
85.06561	3.3
91.05470	15.0
93.07053	23.8
95.04961	10.2
95.08615	16.5
97.06530	11.0
98.20992	4.7
98.97567	1.8
99.08103	1.8
100.07626	2.4
103.05444	1.7
105.07037	20.5
107.04951	4.0
107.08604	30.0
109.06528	23.8
109.10163	22.3
111.08083	12.8
112.11214	2.1
113.09689	3.5
115.05416	3.0
117.07048	9.8
119.04966	2.3
119.08596	29.0
121.06535	12.6
121.10170	15.1
122.07284	7.8
123.08055	7.3
123.11707	3.3
128.06238	4.0
129.07040	8.6
131.00134	2.1
131.08574	18.3
133.06490	4.2
133.10149	21.3
135.08067	72.9
135.11682	6.2
137.05966	3.9
137.09630	37.0
139.11148	3.7
141.07072	2.9
142.07771	9.7
143.08582	11.9
144.09402	2.1
145.06500	5.1
145.10150	13.8
147.04382	2.0
147.08026	12.4
147.11719	16.3
149.05991	2.4
149.09636	5.1
149.13274	3.9
151.07593	4.4
153.01752	3.3
155.08565	3.7
156.09354	8.4
157.10141	34.6
158.10875	2.0
159.08047	8.4
159.11700	26.9
160.08858	2.5
161.09624	15.3
161.13280	3.3
163.11252	4.7
167.08519	1.9
169.10126	3.5
171.08136	1.8
171.11699	27.3
173.09648	5.9
173.13275	14.8
174.10329	2.3
175.11166	18.4
177.12805	11.4
182.10840	2.7
183.11678	6.4
185.09654	19.7
185.13255	7.8
187.11227	6.8
187.14851	5.6
189.12746	9.2
190.13539	2.4
191.10686	5.6
191.14357	14.5
195.11711	3.5
196.12369	2.5
197.13268	12.3
198.14096	2.7
199.11214	28.5
201.12869	2.1
203.10710	14.6
203.14296	5.7
207.11613	2.0
211.14763	5.2
213.12785	6.4
213.16403	20.4
215.10945	2.0
215.14346	23.6
217.12242	3.7
227.07019	2.5
227.17920	4.2
231.17464	15.9
237.16457	7.3
240.14899	2.2
243.13936	2.9
245.19017	3.6
255.17419	28.3
273.07599	4.9
273.15454	3.5
273.18527	100.0
274.27438	2.8
291.12741	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
53.75058	4.1
55.05501	13.7
57.07088	7.5
67.05501	20.5
69.07081	36.0
79.05484	10.9
80.59554	4.6
81.07066	56.1
83.08609	14.9
86.76472	4.6
87.89612	4.3
91.05473	13.0
93.07042	37.5
95.08616	59.0
97.10170	9.3
102.20197	4.0
105.07036	24.1
107.08596	49.1
109.10175	45.4
111.77605	5.3
119.08596	21.5
121.10138	34.1
123.11700	36.8
129.77330	4.4
133.10120	15.9
135.11656	27.2
137.13255	11.0
147.11679	15.5
149.13277	35.2
161.13277	22.3
163.14833	19.6
175.14821	18.7
177.16391	19.0
189.16393	17.0
191.17963	8.8
203.13110	4.8
203.17950	10.2
217.19547	23.1
231.57660	4.8
247.36803	4.5
273.16599	8.8
273.22986	8.7
273.25763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01855	6.2
57.03439	9.6
61.02933	8.7
69.03085	2.1
69.03434	29.6
69.32908	3.2
69.33309	11.6
71.04979	2.5
73.02917	12.7
75.13087	1.3
81.03403	4.4
81.44076	1.3
81.65860	1.2
82.99841	1.7
85.02910	62.0
87.04464	2.4
91.03957	2.9
97.01422	1.7
97.02898	20.1
98.21500	3.3
99.01877	1.6
99.04486	6.7
101.00885	21.3
101.02369	3.2
102.02385	1.6
109.02929	2.6
111.02918	2.1
112.03652	1.3
117.02879	3.4
119.01919	17.1
119.64640	1.5
124.03655	1.4
126.03476	1.3
127.02419	2.3
127.03921	25.1
130.03656	1.6
131.01852	2.4
133.04247	2.2
139.02388	4.4
139.04190	3.2
143.01895	15.4
145.03336	3.2
145.05099	10.2
148.04776	8.9
153.03986	1.5
155.01917	2.7
156.06697	1.6
157.03459	19.0
161.02951	6.2
163.05301	2.6
166.04744	2.5
173.03026	2.0
173.86816	1.5
175.05222	4.6
183.60371	1.5
184.05809	46.1
184.55876	2.0
185.02896	2.4
193.06361	21.6
204.57120	2.2
205.05533	12.7
206.05792	1.9
223.04500	2.9
223.06645	51.1
224.06871	3.1
241.07700	7.2
247.43083	1.3
249.76202	1.3
265.07712	100.0
266.07925	8.3
274.27328	1.3
276.79507	1.4
277.07718	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	274.2742
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
55.05494	0.3
57.07079	5.8
58.06594	0.4
62.06084	0.4
68.05010	0.3
69.31367	0.3
69.31771	1.7
70.06596	9.7
71.08637	2.9
74.06099	0.3
74.91962	0.2
85.10171	0.8
86.06110	0.2
88.07633	13.6
98.21497	0.5
102.08565	0.3
102.09186	3.6
104.46871	0.2
106.08672	8.3
106.54128	0.2
130.40373	0.2
153.67610	0.2
212.23755	0.6
230.24818	0.9
256.26367	5.9
274.27414	100.0
275.27719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01873	6.1
55.05134	3.8
55.05490	4.9
56.96566	28.2
57.03431	8.8
58.83198	3.4
61.02919	15.4
61.74987	4.7
69.03426	24.8
70.06610	5.0
70.28056	11.1
70.28445	8.2
70.98117	17.2
71.05004	6.6
72.08157	10.1
73.02900	12.2
79.02784	3.4
81.03428	4.4
82.99837	8.3
83.04988	9.7
84.08137	14.3
84.96025	4.3
85.02907	57.1
85.92020	3.7
87.04454	4.5
88.99122	6.9
91.03954	6.5
91.05486	5.6
95.06084	4.8
97.02888	27.6
98.97591	51.1
99.04444	5.2
101.00888	58.8
107.04974	5.8
109.02878	4.6
110.97577	11.7
111.04453	6.6
113.02365	14.6
113.07129	12.0
116.07144	3.7
116.98607	13.5
119.01926	68.8
119.04902	7.7
121.02838	4.3
125.02352	6.0
125.07107	23.1
127.02450	23.5
127.03918	16.7
128.98592	11.1
130.17239	3.7
130.38383	4.2
131.01927	10.3
134.04085	3.7
134.99681	5.6
136.07654	4.3
137.02931	11.1
137.05986	14.1
137.23419	3.7
143.01891	17.0
145.03458	51.1
145.04929	7.8
146.99649	8.3
151.02380	4.1
153.03960	7.5
155.01843	6.4
156.76456	3.9
157.03459	14.8
159.05078	10.2
161.02922	21.8
169.03455	65.3
171.05009	8.4
172.97551	16.1
173.02925	11.6
175.04475	8.2
177.00726	5.4
184.05800	11.8
184.55875	8.9
185.02998	31.4
187.04526	65.7
190.98643	20.3
193.27174	3.8
193.56445	7.9
194.07072	13.7
197.02950	19.5
203.04042	15.6
205.05562	7.8
208.04842	5.9
211.04468	6.1
215.03951	15.3
218.98155	6.4
223.06664	11.5
224.06871	5.1
229.05598	33.3
232.99733	12.8
237.02876	6.8
243.13797	4.3
247.06606	13.9
251.00740	10.4
265.07681	6.9
266.07837	6.6
274.97586	8.8
275.01660	13.7
275.06110	96.8
275.10989	100.0
281.13626	4.0
293.07150	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	275.0375
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
50.62074	1.3
55.01856	1.9
55.05512	4.3
56.96569	2.7
57.30153	1.4
63.73522	1.4
67.05501	2.5
68.68650	1.4
69.03420	3.6
69.07070	2.6
69.91022	6.8
70.06597	2.4
72.08146	1.6
83.04991	7.8
84.08128	1.9
85.02904	2.8
86.09709	3.2
91.05468	3.0
95.04982	2.0
98.20776	1.5
98.97570	5.3
105.07043	2.6
110.21602	1.4
111.04428	3.7
115.03965	1.8
115.05455	2.8
115.84790	1.5
119.01898	4.1
125.05989	1.4
125.07085	3.0
126.12859	1.4
129.07028	2.1
132.56386	1.5
141.06996	5.1
143.03114	3.4
145.03465	3.0
155.01709	1.6
157.06531	3.4
157.89105	1.5
158.15402	4.0
159.08116	2.0
161.06035	2.2
169.06427	3.7
171.04391	3.0
172.05299	1.5
173.06119	1.7
175.07549	1.8
185.02989	3.4
185.05949	3.0
187.07484	2.1
189.05516	3.5
191.07092	3.3
191.65805	1.5
194.91809	1.5
197.06001	3.9
203.04010	2.6
213.05566	1.8
214.06339	1.6
215.01619	6.2
215.03603	1.9
215.07066	5.7
223.70316	1.6
229.08629	3.2
230.05786	1.6
231.06660	2.7
243.06609	4.7
245.08192	2.8
247.09756	2.0
257.02710	95.3
260.06857	4.4
274.27612	3.3
275.03748	100.0
275.11188	58.3
275.19659	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0914
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
51.02366	0.6
53.03953	2.7
55.01876	3.7
55.05523	0.6
65.03945	5.2
67.05505	1.8
67.85577	0.5
69.03420	1.2
71.01961	0.8
71.04979	0.8
77.03928	2.1
79.01871	0.6
79.05492	3.9
81.03416	2.0
81.07055	1.6
82.04202	1.6
83.04969	0.5
89.03934	0.5
90.04702	0.8
91.05482	4.4
93.03418	3.5
93.07028	0.7
94.04197	2.1
95.04971	2.4
97.02901	3.2
97.06546	1.3
99.04449	2.9
103.05453	0.9
105.03417	8.2
105.04498	0.7
105.07006	1.1
105.42677	0.6
106.04178	0.6
107.04949	1.4
109.02885	0.6
109.06528	5.2
110.02541	0.6
111.04472	0.9
115.05456	3.7
116.06255	1.1
117.07066	3.7
118.04179	1.3
119.04963	0.9
121.02871	5.4
121.06466	1.4
122.03554	0.7
123.04433	0.7
128.06210	1.7
129.07008	1.7
130.04181	1.2
131.04915	2.6
131.08557	1.9
133.02867	8.9
133.06522	0.8
134.98456	0.5
135.04433	2.0
137.05988	3.2
139.03914	1.7
141.07011	3.9
142.03192	0.6
142.07793	1.0
143.04993	0.6
143.08600	0.9
144.05710	1.0
145.02881	2.1
145.06509	4.0
146.03633	1.2
147.04416	1.1
147.08099	0.7
151.03920	4.7
152.81676	0.5
153.05479	27.0
155.06024	0.8
158.03603	1.1
159.04436	2.2
159.08061	2.1
161.02371	2.3
161.06042	1.0
163.03867	0.5
165.05492	35.0
167.03391	2.4
169.06500	3.7
171.04369	0.7
171.08054	0.9
173.06006	4.7
175.03908	2.8
177.05482	1.5
178.06337	0.8
179.03441	1.6
187.03947	2.7
187.07576	3.6
189.05437	2.5
190.06206	0.7
193.04980	52.2
197.06015	3.1
199.03880	0.6
201.05539	2.6
203.03410	1.6
205.08650	0.6
215.07076	4.1
217.05017	0.6
218.05750	5.4
221.30847	0.6
225.05478	7.7
229.08655	0.9
231.06548	0.9
233.08064	5.7
241.04967	1.0
243.06606	8.2
247.09724	0.9
261.07721	0.9
275.09161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68422	0.4
53.03938	1.9
55.01864	1.4
55.02463	0.4
55.05512	0.5
56.96565	4.4
57.03446	2.5
61.02938	2.3
67.05481	0.8
69.01413	0.5
69.03139	0.5
69.03434	6.3
70.03774	0.5
70.06583	1.0
70.09572	0.9
70.09964	1.0
70.98118	0.9
70.99845	0.5
71.04997	0.8
73.02927	3.3
79.05470	0.9
80.08566	0.4
81.03423	2.4
81.07049	1.6
82.03758	0.6
82.99838	0.6
83.04957	1.2
84.04497	0.8
84.08129	1.1
84.96053	0.6
85.02910	13.8
86.03230	1.0
86.09674	0.8
87.04468	0.7
89.00766	0.5
91.03976	0.6
91.05486	4.8
93.07050	4.9
94.07419	0.7
95.04966	2.0
97.02895	5.8
97.17159	0.4
98.20862	0.6
98.21378	0.7
98.97588	17.1
99.04435	1.0
101.00873	7.4
102.00993	0.5
103.05483	3.8
107.04951	1.3
108.04495	1.0
109.02866	1.5
109.06493	1.2
110.97582	1.9
111.02928	0.6
111.04458	1.0
112.99183	0.8
113.00005	2.2
113.00854	1.5
113.07146	0.6
115.02382	1.0
115.03929	0.7
116.01324	0.6
116.98631	4.7
119.01929	8.9
119.04916	0.6
120.01978	0.8
121.01650	0.7
121.06515	35.9
122.06821	2.6
125.01717	0.5
125.07108	5.3
127.00711	0.5
127.02398	1.6
127.03942	3.7
128.98608	2.2
129.03061	0.5
129.05481	0.6
131.01930	3.2
131.05574	0.5
133.03410	0.6
135.04385	0.6
137.03030	0.5
137.05986	6.3
140.02312	0.7
140.03972	0.6
141.02205	0.6
142.54028	0.6
143.00197	0.9
143.01906	4.5
144.01990	0.7
145.01659	0.9
145.03519	4.0
145.04941	1.9
146.68304	0.6
146.99567	0.6
147.03265	0.6
149.04788	0.8
153.03966	0.8
153.37537	0.4
155.01881	4.1
157.03484	2.5
158.98462	0.6
158.99680	7.4
159.03229	0.6
161.02965	5.4
163.02721	0.5
163.03900	2.4
169.03491	4.4
170.04131	3.4
170.08113	1.3
170.99629	1.6
171.05077	1.4
172.97636	1.0
173.02997	4.7
173.06595	1.0
174.03169	0.5
175.04460	0.8
177.00705	4.8
177.04161	0.8
179.00119	0.5
179.04604	5.2
179.05742	0.4
179.54808	0.5
180.89641	0.5
183.05084	0.6
184.03169	1.3
184.05833	1.9
184.07339	1.4
184.55928	3.5
185.01550	0.5
185.02910	2.9
185.05585	1.2
185.06766	0.7
187.02893	1.0
187.04475	6.8
187.08049	0.9
187.54526	0.7
188.05133	0.9
189.00723	1.5
190.98517	0.6
191.07683	0.6
193.56352	0.8
194.07066	0.7
197.02959	1.7
201.00696	0.5
201.55603	0.6
202.06010	1.8
202.55058	0.5
203.02376	0.6
203.04042	1.8
203.07640	0.9
205.05573	1.0
206.04236	0.5
211.04552	0.6
213.06033	0.5
213.98277	0.5
215.03938	3.2
215.07932	1.3
219.01819	4.3
221.03180	1.1
221.05116	0.8
223.06670	2.1
224.06847	2.0
225.06485	1.5
229.05782	2.5
230.06296	0.7
231.01764	1.2
231.11353	0.5
232.99719	1.2
233.05083	0.6
237.02705	0.8
237.06180	0.8
239.04161	0.6
243.07457	0.7
245.05099	1.1
247.06668	1.1
249.02776	2.2
251.04353	1.1
257.02820	2.9
257.05267	0.8
257.11322	1.0
260.63193	0.5
261.02805	0.6
263.06107	0.5
265.07697	2.8
266.07797	5.0
267.04776	0.5
267.07330	3.0
274.27274	0.5
275.06100	6.8
275.11002	100.0
275.57748	0.6
291.03839	1.3
293.07321	0.6
293.10803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.05486	1.1
59.05000	4.4
67.05497	2.9
69.03442	1.5
69.30903	9.2
71.04987	2.1
77.74316	1.0
79.05493	2.7
81.07053	2.5
83.04977	2.3
85.06538	1.8
86.24543	1.0
88.89404	1.0
91.05481	2.6
93.07055	1.1
95.04979	22.7
97.02893	1.7
97.06552	1.6
98.21126	4.6
98.97624	1.5
101.06023	1.2
105.07056	1.2
109.02863	3.2
109.06499	2.5
111.04419	4.8
111.08069	1.5
119.04973	2.7
121.06498	1.9
123.00794	3.0
123.04438	9.3
125.02347	11.4
127.07538	1.4
133.02870	1.2
137.05977	5.3
139.03909	100.0
141.05428	2.1
147.04405	2.4
151.03918	34.8
151.05132	2.0
155.02002	1.3
155.07016	2.8
163.07455	0.9
165.05490	51.8
167.03453	1.1
169.05038	2.0
179.07007	1.8
181.04941	6.3
183.06516	9.8
193.05008	7.0
197.08098	1.6
199.05963	1.0
203.29692	0.9
211.05968	8.6
215.09109	1.2
225.07584	49.8
243.08643	5.1
275.13742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	3.6
55.05497	3.7
59.04745	4.4
59.05006	46.4
61.16659	3.6
67.05501	8.6
69.03422	6.0
69.53305	22.7
71.05002	7.6
73.91517	3.2
74.46634	3.1
77.31921	3.5
79.05500	9.3
81.07068	9.3
83.04989	7.0
85.02882	3.7
85.06548	4.8
91.05479	5.2
93.07053	6.1
95.04980	44.6
95.08621	6.7
97.02890	4.5
97.06520	3.8
98.20757	6.9
99.04547	3.7
107.08569	3.7
111.04415	5.6
113.06049	3.6
119.08611	4.8
123.04442	18.5
125.02357	24.6
130.25026	3.2
132.94232	3.5
135.11722	4.8
139.03914	87.9
142.03171	4.7
151.03923	66.8
151.82584	3.4
153.12744	6.6
165.05489	100.0
181.04926	8.8
183.06541	7.5
193.04993	13.4
198.65669	3.6
211.06004	8.1
225.07567	29.0
239.20131	10.5
243.08589	5.7
275.06735	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	275.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25152	3.8
57.01798	4.2
59.05000	40.7
67.05502	10.8
69.46486	32.5
70.06580	5.6
70.90749	3.9
71.04987	7.7
71.30163	4.4
74.13438	4.1
79.05492	5.2
81.03460	4.0
81.07074	4.1
83.04997	6.0
84.08134	7.1
85.06521	10.5
91.05499	8.9
93.07026	6.7
93.72115	4.2
95.04965	55.8
97.02903	9.0
98.20821	8.5
103.03960	4.1
107.87170	4.4
109.06532	5.8
112.99133	4.9
114.20064	3.9
116.10706	7.8
119.04948	5.0
122.06007	4.9
123.00767	8.9
123.04456	25.9
125.02391	31.5
136.07535	4.4
137.05994	8.3
139.03914	48.5
141.05505	4.6
142.03226	12.3
147.04364	6.2
151.03911	93.9
155.07071	5.6
156.08057	7.7
164.41350	4.0
165.04164	8.2
165.05487	100.0
165.06863	5.5
169.04977	5.4
183.06493	5.8
184.07581	7.0
193.05029	10.5
194.08450	11.9
195.09183	6.5
199.05945	5.7
202.08601	10.0
211.06020	18.4
225.07677	31.7
226.07341	13.5
243.08754	8.5
257.05927	10.2
257.12814	8.1
275.04874	94.1
275.14160	25.4
275.19894	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05507	3.9
56.96573	1.0
57.07082	1.6
59.05009	1.2
67.05499	4.0
69.07075	7.1
70.75230	1.0
70.75570	1.9
71.04983	1.1
77.31332	1.1
79.05490	4.3
79.57362	0.8
81.07057	5.1
87.04469	3.0
91.05492	9.5
93.07049	13.3
95.04963	1.0
95.08608	11.8
99.08105	0.9
105.07027	14.5
107.08601	19.5
109.10150	5.4
111.08057	3.2
117.07017	5.6
119.08593	16.3
121.10152	48.9
123.08062	4.7
123.11743	1.4
128.06235	1.4
129.06998	2.8
131.08543	6.3
133.10136	11.4
135.08008	1.6
135.11719	5.6
137.09608	5.5
141.07022	1.3
142.07805	4.4
143.08580	10.6
144.09357	1.5
145.10132	25.9
146.10881	2.8
147.11694	48.9
149.09616	4.8
155.08582	4.4
156.09360	4.5
157.10139	24.8
159.11729	10.6
161.13289	4.4
163.11174	1.6
165.12802	1.2
167.08598	1.3
167.10672	1.3
168.09320	1.5
169.10130	7.1
170.10936	3.8
171.11719	10.4
173.13286	5.5
175.14868	1.1
175.36528	0.8
177.56871	1.0
181.10204	1.8
182.10915	2.2
183.11705	13.9
184.12527	2.5
185.13300	12.8
186.14114	1.0
187.11153	1.8
187.14798	5.0
189.12727	1.6
189.16391	14.7
195.11609	4.8
196.12477	3.9
197.13278	15.7
199.14830	35.9
200.15579	1.0
201.12782	1.9
203.14482	1.3
209.13307	4.8
210.14005	7.2
211.14871	4.1
213.16374	11.3
214.17203	10.9
215.14468	1.6
215.17963	13.6
217.15851	2.7
224.15562	6.4
229.15791	1.9
229.19495	6.6
231.17476	1.5
239.17957	43.1
247.16785	1.1
257.19022	87.7
275.20074	100.0
275.27731	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.09959	0.6
53.03936	1.2
55.01863	1.4
55.05264	1.0
55.05514	11.6
56.75311	0.5
56.96553	2.3
57.07062	2.0
57.30923	0.6
59.04989	0.7
63.09931	0.6
65.03925	2.0
67.05177	1.1
67.05505	14.9
69.03455	0.9
69.07067	8.9
70.06580	2.6
70.11181	1.4
70.11578	1.1
71.04981	2.4
71.06899	0.8
73.06535	0.6
79.05495	13.8
81.07058	16.6
83.04966	2.0
83.08610	4.1
85.06527	1.5
87.40646	0.6
88.07614	2.5
91.05484	40.1
93.07048	15.0
93.98947	1.3
95.04972	1.9
95.08611	11.1
97.06537	2.1
97.10157	1.8
98.32131	0.6
98.97551	0.7
99.04458	0.7
102.99438	2.0
103.05472	1.7
105.03390	0.7
105.07035	56.2
106.08641	1.2
107.04956	1.3
107.08601	10.2
109.06506	1.8
109.10169	5.5
111.08088	1.3
111.99972	9.4
112.99142	0.6
115.05463	0.6
117.07023	9.3
119.08589	32.8
121.00485	9.4
121.06498	1.9
121.10154	5.7
123.08064	2.1
123.11681	1.6
123.50794	1.5
125.00762	1.4
125.09585	0.9
129.07013	1.6
130.07730	0.9
131.08572	14.6
132.51266	1.5
133.06482	0.9
133.10136	39.1
134.01254	3.2
134.63287	0.6
135.08046	3.1
135.11687	2.5
137.09624	1.9
141.07019	1.1
143.01801	2.3
143.08554	1.8
145.09052	1.1
145.10133	15.4
146.10854	1.0
147.11696	19.2
149.02368	1.6
149.09627	4.6
149.13232	1.2
151.11107	1.0
155.08545	1.2
157.10165	3.4
159.11699	7.3
161.09657	1.0
161.13298	4.3
163.00479	2.9
163.11171	2.7
167.99673	9.4
168.49814	0.9
169.10133	1.9
171.11690	2.4
172.01001	2.7
173.13257	3.2
175.11160	1.2
175.14824	1.3
177.00200	7.8
177.12787	0.7
177.50371	1.1
183.11667	1.9
185.13191	0.7
187.11118	0.8
197.13289	1.3
199.01511	1.5
201.12706	0.7
204.98033	1.1
208.02054	5.9
211.14841	0.7
213.16277	0.8
215.14403	0.7
215.17990	0.8
217.02614	9.8
219.13794	0.9
219.52847	0.7
228.53534	0.7
229.19507	1.5
233.15372	1.0
234.03543	0.7
239.17953	3.6
243.04291	1.9
247.20482	1.7
252.04712	11.9
252.54877	2.5
257.19040	9.6
257.26639	1.7
261.05261	5.9
261.55487	1.3
263.55499	3.7
272.56024	1.0
275.20074	100.0
275.27753	28.0
276.20410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03926	1.3
55.01859	2.1
55.05514	11.7
56.96555	2.4
57.03443	3.6
57.07057	1.6
60.16533	0.5
64.27680	0.5
65.03929	1.0
67.05508	17.8
69.03433	1.3
69.07072	8.9
69.52713	1.2
69.53120	3.1
70.06567	0.8
71.04980	2.3
71.08622	0.8
79.05496	20.4
81.03435	0.8
81.07060	22.7
83.04976	3.3
83.08617	5.1
85.06523	2.1
88.07635	1.2
91.05484	36.9
93.07054	19.2
95.04999	2.6
95.08613	14.7
97.06529	2.3
97.10162	1.4
97.81935	0.5
98.20754	0.9
99.08041	0.6
103.05484	1.2
105.07037	47.5
106.08648	1.6
107.04962	4.3
107.08598	13.4
109.06532	6.6
109.10158	7.0
111.08077	2.0
111.11755	0.5
111.99934	0.5
112.99251	0.5
115.05457	0.7
117.07022	7.9
119.08588	32.6
121.06483	2.5
121.10155	8.2
123.08089	5.2
123.11731	1.8
125.09622	1.0
129.06993	2.2
131.08572	13.3
132.09441	0.5
133.06517	1.4
133.10138	40.7
135.08075	6.5
135.11717	5.1
137.09660	2.5
141.06979	1.0
143.08546	2.2
145.10124	11.3
146.10962	0.6
147.08023	1.4
147.11694	15.6
149.09636	5.6
149.13255	2.2
151.11168	1.9
152.39629	0.5
153.03534	0.5
155.08546	0.9
157.10152	2.6
159.11691	8.2
161.09583	1.9
161.13257	4.8
163.11212	4.1
165.09183	0.7
165.12752	0.6
167.99640	0.9
169.10097	1.5
171.11693	2.8
173.09656	0.8
173.13269	5.0
175.11166	2.0
175.14832	1.5
176.60374	0.6
177.12762	1.4
183.11679	2.3
185.13258	3.0
187.11176	1.7
187.14830	1.0
191.14165	1.2
193.12289	0.8
193.42201	0.5
197.13257	2.3
199.14783	1.0
201.12708	0.8
201.16389	1.6
203.14330	1.6
211.14735	0.6
213.16393	0.9
215.14319	0.8
215.17978	1.5
219.13844	0.8
219.17465	1.2
229.19478	2.6
233.15364	1.2
239.17876	3.8
247.20665	2.9
257.19003	9.3
257.26587	0.8
275.20074	100.0
275.27771	12.5
276.20459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
53.03916	0.7
55.01864	1.0
55.05503	3.1
57.07047	0.8
57.90658	0.8
59.05657	0.7
64.94347	0.7
67.05474	2.0
69.03441	1.1
69.07075	11.3
69.30257	6.0
69.30668	1.7
71.04983	2.1
79.05483	1.9
81.07071	4.7
83.08617	1.5
85.06549	1.8
88.25038	0.7
91.05469	3.5
93.07041	9.1
95.04963	1.9
95.08595	6.2
97.06512	1.5
98.21451	1.6
105.07051	5.7
107.08620	6.5
109.06512	2.2
109.10167	4.1
111.07365	1.6
111.08089	27.3
111.11704	1.1
113.09634	2.2
117.07028	1.4
119.08566	6.1
121.06490	1.3
121.10179	4.1
122.07298	4.0
123.08068	14.2
123.11661	1.6
131.08588	7.4
133.10175	3.8
135.07117	1.5
135.08072	20.4
135.11685	3.2
137.09592	2.0
139.11220	1.2
143.08531	2.7
145.10138	5.6
147.08044	1.4
147.11708	4.5
149.09604	3.3
149.13260	1.1
156.09370	1.6
157.10120	3.1
159.11694	6.1
161.09645	1.8
161.13306	0.7
163.11198	1.8
165.12759	2.8
171.11682	10.9
173.13272	3.7
175.11201	1.4
175.14813	2.4
176.11980	6.4
177.12689	0.9
178.79520	0.7
181.10745	1.4
181.12250	16.6
183.11699	1.4
187.14851	1.8
189.12781	2.3
191.14316	100.0
192.14796	0.8
197.13164	1.0
199.14839	4.3
213.16463	1.4
215.17964	2.6
217.15968	4.9
239.17929	1.2
243.51593	0.8
257.19028	8.7
275.20078	47.3
275.27811	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.76291	1.1
53.03968	1.5
55.01870	3.5
55.05515	10.9
56.52572	1.0
57.07067	4.1
67.05506	19.8
68.38805	1.0
69.07069	10.0
70.61748	3.8
71.04990	1.3
71.08633	2.1
79.05502	17.6
81.07060	18.8
83.04976	3.8
83.08626	5.9
85.06546	1.9
85.10144	1.4
88.07600	1.2
91.05487	29.5
93.07044	18.5
95.04942	3.3
95.08609	13.4
97.06525	3.5
97.10172	3.4
103.05485	1.4
104.43941	1.1
105.07035	44.8
107.08596	15.3
109.06510	3.7
109.10149	6.4
111.08073	3.9
112.86052	1.1
117.07033	6.3
119.08589	35.3
121.06491	2.2
121.10158	9.5
123.08077	3.2
123.11720	3.3
125.09659	1.8
129.06972	3.1
131.08560	14.7
133.06487	1.9
133.10136	31.5
135.08028	4.6
135.11691	3.7
137.09630	2.5
139.49512	1.1
142.03290	1.4
143.08586	2.8
143.38766	1.3
145.10126	18.7
147.08101	1.1
147.11688	16.3
149.09647	10.8
149.13307	1.4
151.11212	2.6
155.08583	1.4
156.97531	3.2
157.10120	3.2
159.11703	9.3
161.09666	1.7
161.13284	6.6
163.11179	7.2
165.12813	1.8
169.10138	4.0
171.11615	5.5
173.13220	5.5
175.11214	3.3
175.14798	2.2
176.63805	1.3
177.12761	2.4
183.11729	2.8
185.13344	1.7
189.12813	2.4
191.14354	1.7
197.13275	3.1
201.12665	1.6
213.00105	3.8
213.16374	2.3
215.17952	3.0
229.19531	4.7
233.15306	1.5
239.17947	11.7
242.52263	1.2
247.20619	1.3
257.05881	2.0
257.19067	13.6
269.02670	1.4
275.20084	100.0
275.27728	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	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.2
55.01859	1.3
55.05516	9.4
57.03441	3.7
57.07062	2.5
58.07406	1.0
60.22049	0.7
65.03919	0.7
67.05177	1.0
67.05509	13.8
69.07075	7.3
70.06584	2.3
71.04970	1.5
71.06928	1.1
71.07460	1.6
71.08606	0.8
79.05495	10.9
81.07065	13.7
83.04988	1.5
83.08636	4.6
85.06546	1.6
86.47956	0.7
88.07635	4.1
89.07978	1.8
91.05490	28.2
93.07047	12.6
93.56609	0.7
95.04966	1.4
95.08618	9.9
97.06518	2.4
97.10187	1.0
99.04491	0.7
102.09162	1.4
103.05451	1.3
105.07038	41.1
105.10213	0.7
106.08688	2.0
107.04945	1.7
107.08588	9.8
109.06495	3.9
109.10161	3.9
111.08092	1.0
115.05396	0.7
117.07029	7.3
118.07801	0.9
119.08594	28.0
121.06523	1.6
121.10169	5.8
123.08084	1.8
123.11716	0.8
125.09630	0.7
128.06236	1.0
129.07007	2.8
129.87276	0.6
130.07701	0.8
131.08571	11.1
133.10141	24.0
135.08078	1.9
135.11697	2.1
141.06979	1.0
142.07762	0.8
143.08580	3.2
145.10130	12.1
146.10789	0.9
147.08096	1.2
147.11693	20.9
149.09628	4.4
151.11232	0.7
155.08551	1.7
155.53197	0.7
157.10120	4.3
159.11702	11.0
161.09618	1.0
161.13263	5.7
163.11162	2.4
169.10156	2.0
171.11705	2.7
173.13287	4.7
175.11188	1.5
175.14809	1.1
177.12758	1.2
183.11687	2.6
185.13272	5.7
191.14378	0.9
197.13269	2.1
199.14716	1.1
201.12735	1.2
201.16484	1.7
203.14365	4.0
211.14842	1.0
213.16422	0.8
215.14391	0.9
219.13806	0.7
219.17384	1.2
229.19498	1.3
233.15324	0.9
239.17967	3.6
247.20659	1.2
257.19031	9.3
257.26678	2.3
262.78906	0.7
275.20084	100.0
275.27771	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	275.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
55.50486	0.2
57.07081	4.7
58.06597	0.4
58.07411	1.5
67.05508	0.4
69.07058	0.4
70.06600	7.4
71.06308	0.4
71.06930	2.7
71.07268	0.3
71.07710	0.4
71.08642	1.7
72.08952	0.8
73.52570	0.2
78.97778	0.2
79.05485	0.5
81.07063	0.6
83.08626	0.3
85.10171	0.4
86.10515	0.3
88.07640	10.7
89.07969	2.8
91.05470	1.4
93.07053	0.8
98.97617	0.3
102.09199	2.6
103.09515	1.0
105.07047	1.5
106.08674	5.5
107.09062	1.6
109.06591	0.3
117.07017	0.4
119.08591	1.0
131.08594	0.5
132.37468	0.3
133.10159	1.2
145.10143	0.6
147.11707	0.7
159.11697	0.4
161.13162	0.3
213.24120	0.5
231.25136	0.7
257.19177	0.3
257.26703	5.5
275.20132	3.0
275.27774	100.0
276.28009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
56.05010	0.6
56.96554	1.3
57.03433	0.9
57.07067	1.7
60.04527	4.9
62.10280	0.4
67.05505	6.0
68.99786	0.5
69.03427	1.3
69.07057	1.2
69.62292	0.4
70.06580	1.4
70.98724	1.0
71.04996	0.5
83.04993	0.5
84.08147	31.3
85.02911	1.4
85.06548	39.5
86.09701	1.6
87.00833	3.7
93.07067	0.4
94.06580	0.7
95.04971	1.0
97.02908	0.9
98.97604	2.5
102.09187	43.1
110.97597	0.4
112.07616	13.4
112.99137	0.7
113.06008	0.4
115.05443	0.5
116.98624	1.2
126.09153	2.0
127.03971	1.0
130.08644	8.3
131.00209	0.5
131.07036	0.9
137.05969	0.6
144.10204	100.0
148.09683	7.1
149.05969	0.5
154.08604	0.6
158.99741	0.8
163.03955	0.7
172.09697	4.5
190.10747	26.6
198.07658	3.8
206.29327	0.5
216.08868	0.7
234.09770	4.4
240.08727	1.8
253.00203	0.7
258.03064	0.8
258.09784	3.7
261.07327	0.4
276.04102	1.1
276.10962	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	276.1595
Annotation	Annotinine
Peak:m/z	Relative Intensity
55.05514	1.0
56.05031	1.4
57.03439	6.0
57.07071	0.7
67.05505	4.0
69.24226	0.4
69.27564	2.6
69.27979	1.4
69.97845	0.3
70.06602	0.6
74.06095	3.1
75.06416	1.1
81.07059	0.5
82.06580	0.8
83.04997	0.5
85.06590	0.6
86.09694	1.8
87.10056	1.2
91.05475	1.8
93.07039	0.7
98.21456	0.8
98.97625	0.5
100.07617	19.6
100.08275	1.0
105.07050	5.7
107.08585	1.1
111.04457	0.4
116.07097	0.9
117.07373	0.5
124.07644	0.5
129.49402	0.5
131.08554	1.2
132.08107	3.3
132.10208	2.0
133.08882	5.1
133.10130	19.2
137.05811	0.5
145.06874	0.4
146.09612	2.4
147.10419	2.2
148.11211	66.3
156.02119	0.5
161.11929	0.5
162.12785	1.4
171.11749	0.5
173.09630	0.8
185.11911	0.6
188.14363	0.9
190.12273	2.3
202.15884	1.2
204.17444	3.2
208.26912	0.5
214.15869	2.3
215.14322	0.7
216.13945	0.8
217.14632	3.6
230.15451	0.8
232.16969	64.3
233.17163	0.5
248.08331	0.5
248.16441	1.0
276.07916	2.4
276.15952	100.0
277.15884	0.7
292.45883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73845	11.3
64.98718	11.4
70.06573	12.1
71.24995	23.4
76.25301	12.8
84.07667	12.8
84.08149	23.9
98.21197	14.3
101.00890	28.3
114.05532	31.3
114.75119	12.0
119.01923	34.4
143.01868	26.1
157.03476	28.0
161.02924	24.1
175.04501	18.1
205.05600	26.4
223.06635	25.5
259.12878	19.8
277.03229	100.0
277.07468	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	277.0321
Annotation	selenoneine
Peak:m/z	Relative Intensity
58.65459	10.0
59.91034	8.7
69.68488	39.4
69.68903	23.8
102.91125	10.6
143.00507	9.6
277.03229	100.0
277.08948	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	277.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	10.3
66.84485	9.2
69.03432	8.2
70.78202	21.5
75.84043	7.6
83.82647	8.2
85.02904	13.7
97.02893	14.1
98.97585	27.3
101.00903	31.1
115.02424	8.5
116.98690	10.9
119.01933	23.6
133.03447	10.7
134.13332	7.6
143.01904	15.5
155.01924	11.2
157.03427	16.9
161.02974	33.6
164.11484	9.8
173.02943	18.0
191.03868	8.3
201.87013	8.3
212.08177	7.7
219.01692	10.8
253.44089	8.0
259.06451	13.1
277.03241	100.0
277.07465	55.5
295.06830	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	277.0709
Annotation	Annulatophenone
Peak:m/z	Relative Intensity
55.01855	4.4
65.03936	6.4
67.05494	4.9
69.03410	2.1
70.88185	1.2
70.88498	2.1
76.40944	1.1
81.03405	2.2
81.51753	1.1
83.04956	1.3
88.71699	1.2
91.05477	2.3
93.03407	13.4
95.04939	4.6
95.05492	1.2
97.02892	8.9
105.07041	2.1
109.02879	2.9
111.04433	4.7
115.03968	1.3
115.05439	3.5
117.07044	1.6
121.02865	5.7
123.04408	6.4
127.04028	1.3
128.06250	6.9
129.07010	34.1
131.04872	1.4
131.79016	1.1
133.06448	1.4
135.04367	2.4
137.02365	14.8
139.03886	5.2
139.05444	6.9
141.06993	11.9
145.02841	2.1
145.06595	1.5
147.04410	5.8
147.08032	3.6
149.02333	3.3
151.03851	1.3
155.04898	1.8
155.06041	1.5
157.06505	32.6
159.08081	1.9
160.05145	4.7
161.05957	4.3
163.03951	6.2
167.03404	4.8
167.04919	6.7
169.06517	8.6
173.04764	1.5
173.06004	13.2
174.06828	5.9
175.03949	7.5
175.07555	48.1
182.94220	1.2
184.44841	1.2
185.05994	44.0
187.07495	4.0
189.05475	2.5
195.04404	2.0
201.05478	8.7
203.07031	29.8
213.05478	25.2
213.70203	1.2
215.07008	1.8
231.06532	80.6
241.05025	2.4
259.06082	13.1
277.07050	100.0
277.47162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0709
Annotation	Annulatophenone
Peak:m/z	Relative Intensity
53.76370	0.8
54.28569	1.1
55.01862	4.1
65.03652	0.9
65.03949	10.8
67.05520	5.2
67.23161	0.8
69.03411	2.8
69.86636	5.1
81.03400	1.5
83.04964	0.9
84.08124	0.9
91.05470	2.2
93.03405	16.0
95.01291	1.0
95.04942	4.5
95.08592	1.2
97.02890	12.7
98.20661	1.0
103.05485	2.0
105.07003	2.2
109.02883	2.8
110.03652	2.5
111.04464	4.9
115.05449	4.8
117.07019	2.0
119.04967	1.5
121.02847	6.1
123.04415	7.9
128.06235	9.2
129.07011	47.4
131.04887	1.6
131.08585	1.1
133.06476	1.4
135.04424	2.3
137.02350	16.6
139.03905	3.7
139.05435	11.1
141.06993	14.7
145.06503	3.7
147.04411	9.4
147.08026	4.0
149.02339	2.2
149.05927	1.7
151.03848	1.3
155.04933	2.3
155.06100	2.0
157.06499	44.3
160.05154	2.6
161.06001	5.8
163.03931	7.6
167.03380	4.1
167.04912	8.1
169.06509	7.4
171.04344	1.3
173.05994	15.2
174.06772	8.7
175.03996	9.4
175.07558	55.0
177.05502	1.4
183.04483	1.4
185.05995	50.6
187.07533	3.5
189.05487	5.2
193.05121	1.2
195.04358	2.6
197.06015	1.3
200.04716	1.4
201.05476	9.2
203.07048	35.3
206.07288	1.3
213.03439	1.5
213.05486	30.1
215.06970	2.2
217.05040	1.4
231.06534	100.0
233.08163	1.4
241.04979	2.8
259.06033	16.1
262.06152	1.9
277.07040	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.071
Annotation	Annulatophenone
Peak:m/z	Relative Intensity
50.68233	0.9
55.01881	5.1
65.03947	10.1
67.05503	5.7
68.89816	1.1
69.03436	2.3
79.05441	2.1
79.30910	1.0
81.07013	1.9
83.04963	1.9
91.05437	3.3
93.03413	17.9
93.07005	3.0
95.04924	4.0
95.08604	1.4
97.02895	11.6
98.21474	2.1
98.97577	1.1
105.06984	3.4
107.08577	1.5
109.02828	2.7
109.10130	1.9
110.03622	1.8
111.04467	6.4
112.00591	1.0
115.05450	5.6
117.07008	2.0
119.08524	3.0
121.02792	4.8
123.04438	6.1
128.06221	9.2
129.07018	48.0
131.04857	2.7
131.08495	1.2
135.04393	2.5
137.02351	17.4
139.03897	6.8
139.05434	9.0
141.06010	1.1
141.07002	15.6
143.04880	1.5
145.02791	2.2
145.06458	2.6
147.04404	7.3
147.08061	5.1
149.02274	3.1
149.05885	2.4
155.04817	1.6
155.05995	2.0
157.06500	42.1
160.05095	4.2
161.06001	5.5
163.03909	9.1
167.03377	3.9
167.04865	7.8
169.06476	9.4
171.04308	1.4
173.06030	14.8
174.06778	9.1
175.03966	7.2
175.07567	59.6
177.05380	1.4
178.07785	1.2
183.04369	1.9
185.05983	52.2
186.06570	1.6
187.07419	4.8
189.05339	3.0
189.06929	1.7
191.08456	1.3
195.04291	2.3
200.04521	1.3
201.04037	1.0
201.05478	10.5
203.07054	36.1
204.37006	1.0
206.07198	1.8
213.05493	28.8
215.07060	1.3
219.08020	2.1
231.06528	100.0
234.06529	3.2
241.04811	3.1
249.08977	2.7
259.06024	15.5
262.06082	2.2
277.06949	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54488	0.6
65.50189	0.5
66.05597	0.6
70.74586	1.9
72.04500	0.8
81.07043	1.4
86.02419	2.5
91.05476	1.5
93.07027	0.7
97.02917	0.6
115.05465	1.9
117.05775	1.4
117.06985	2.3
118.06551	37.3
130.06548	1.0
132.08104	28.2
142.06534	3.3
143.07300	4.3
144.06998	1.1
144.08098	20.0
146.06020	73.7
147.04402	1.6
148.44345	0.5
154.06570	0.8
158.08423	7.1
160.07576	1.8
170.06015	4.9
171.09230	3.1
188.07083	100.0
189.07434	0.7
195.07808	0.8
215.25064	0.7
231.11310	12.3
277.11877	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	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.66144	1.2
53.03941	6.0
55.01871	2.8
55.05517	13.5
56.82359	1.2
56.96553	5.6
57.07082	6.8
62.61396	1.2
65.03941	2.7
67.05175	2.4
67.05508	36.6
69.03453	2.6
69.06789	1.3
69.07076	17.0
69.90755	7.2
70.06588	2.6
71.04993	3.2
71.06902	2.2
71.08645	2.6
73.02901	1.5
79.05495	68.4
81.03432	1.4
81.07059	41.1
83.04993	4.4
83.08634	7.6
85.06532	3.6
88.07626	3.1
89.07919	1.6
90.08037	1.4
91.05477	30.5
93.07050	91.0
95.04963	6.9
95.08609	34.4
97.02883	2.2
97.06512	2.8
97.10148	4.3
98.97581	10.5
99.04384	1.4
101.06025	1.4
105.04507	2.1
105.07037	18.7
106.08691	1.3
107.04949	2.7
107.08591	46.4
108.09055	2.2
109.06524	3.8
109.09454	1.8
109.10164	15.7
111.08067	1.7
111.15938	1.3
112.99145	1.4
116.98598	4.1
117.07029	5.4
119.06087	1.6
119.08576	13.8
121.06503	6.7
121.10149	45.9
123.08119	2.8
123.11703	5.4
125.09641	2.1
126.37889	1.2
129.07010	4.4
130.26360	1.3
131.08549	5.1
133.10123	14.8
133.36041	1.2
135.08063	2.3
135.11690	51.5
137.02499	1.2
137.05986	1.5
137.09605	3.2
137.13251	4.3
139.11148	3.3
143.08566	3.8
145.10118	5.9
147.04518	1.6
147.11699	9.5
149.02342	2.7
149.09671	2.3
149.13269	22.3
151.11174	2.1
154.94156	1.4
155.01862	1.5
159.11705	5.1
161.09682	1.9
161.13269	7.2
163.11156	2.8
163.14850	4.7
165.12799	1.3
167.10628	1.6
171.11737	3.7
172.53041	1.3
173.13254	2.4
175.14841	3.6
177.00745	2.7
177.12857	2.6
179.10643	1.4
181.12245	2.5
185.02667	1.4
185.13301	3.0
191.14342	2.1
193.12312	1.6
199.14838	2.2
203.14397	1.8
207.13844	2.5
213.16359	3.1
217.19698	1.4
221.15363	3.6
231.06610	2.0
231.17445	2.9
235.16980	5.1
241.19519	2.7
256.11423	2.2
259.20657	6.4
259.27286	1.8
277.11920	1.9
277.18375	4.1
277.21646	100.0
277.28284	63.3
278.22015	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03938	2.9
55.01874	5.0
55.05513	13.1
56.96572	4.0
57.03449	1.4
57.07086	4.6
63.74483	0.9
65.03941	1.1
67.05511	29.8
68.07331	0.8
69.03435	1.2
69.07076	12.0
69.89982	4.9
70.06611	0.8
71.04990	2.3
71.08620	1.7
75.19814	0.9
79.05496	28.1
79.05962	1.7
81.03408	1.8
81.07063	30.4
81.73899	0.8
82.06304	0.8
83.04958	2.7
83.08635	7.9
85.06546	2.5
91.05485	17.6
93.07052	47.7
94.57955	0.8
95.05000	3.9
95.08614	28.1
97.00449	0.7
97.02881	1.5
97.06527	3.5
97.10164	2.5
99.08089	1.9
103.05457	1.1
105.07036	13.6
107.04959	1.6
107.08601	26.1
109.06507	3.4
109.10161	12.6
111.08099	5.8
117.07032	3.4
118.86476	0.8
119.07797	1.0
119.08594	10.9
121.06506	2.0
121.10153	52.3
123.08067	4.4
123.11725	6.0
125.09659	1.1
129.06985	0.9
131.00180	1.7
131.08566	5.4
133.06558	0.9
133.10133	11.7
135.08061	2.8
135.11697	22.9
137.09616	3.3
137.13216	1.3
139.11174	1.9
143.08553	2.1
145.10136	4.7
145.82823	0.9
147.03110	2.3
147.04369	0.9
147.08057	1.3
147.11708	7.0
149.01222	4.2
149.02271	1.9
149.09602	3.3
149.13283	9.4
151.11208	4.8
156.03625	3.2
157.10159	3.3
159.11667	4.1
161.09657	1.8
161.13255	5.9
163.11172	3.6
163.14844	2.3
165.12743	2.5
167.10635	1.7
167.54402	1.0
170.05209	0.9
171.11710	3.6
173.13292	2.6
175.11292	0.9
175.14851	2.9
177.12680	1.5
177.16446	1.8
179.10699	1.2
179.14345	1.5
181.12212	1.0
185.13318	4.3
187.14941	1.2
189.12794	2.0
189.16319	1.2
195.13799	1.9
199.14865	1.7
201.16391	1.8
203.14264	1.3
207.13783	2.0
213.16377	1.1
217.19617	1.4
221.15387	1.0
231.21141	2.7
235.16920	3.3
241.19550	7.2
249.22144	1.0
259.16666	0.9
259.20639	14.4
267.53482	0.8
277.13809	7.9
277.21646	100.0
278.22153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
55.05523	2.1
64.05838	0.9
67.05494	4.1
69.07061	5.1
70.76664	0.8
71.04964	1.0
71.59189	1.5
79.05494	5.3
81.07056	7.6
83.04969	0.9
83.08623	2.1
85.06547	1.5
87.04461	1.1
91.05470	4.2
93.06474	1.6
93.07043	21.3
95.04939	1.2
95.08605	22.9
105.07025	5.1
107.08596	21.8
109.06500	2.1
109.10148	16.1
111.08078	1.3
119.08559	5.9
121.10146	79.2
123.11704	9.7
124.26212	0.8
125.09653	1.4
133.10124	7.3
135.11708	3.7
137.09607	3.6
139.11185	1.1
145.10144	3.0
147.11737	4.2
149.02269	0.9
149.09641	4.9
149.13286	2.5
151.11142	3.2
153.09235	1.0
156.09361	1.0
157.10127	2.1
159.11678	2.3
161.13232	2.7
163.14891	1.8
165.12741	1.3
169.12383	0.9
171.11705	6.5
173.13216	1.4
178.29268	0.9
185.13252	6.0
187.14832	4.0
189.12732	2.4
189.16411	1.3
199.14841	1.7
201.16418	2.2
215.18005	1.5
231.21053	2.8
235.16864	1.1
241.19490	13.1
241.21729	1.2
259.20572	17.3
259.23068	1.6
269.40805	0.9
277.18494	3.6
277.21628	100.0
278.22061	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
55.05510	1.8
56.00112	0.6
57.07071	1.5
62.51196	0.5
65.03941	0.4
65.75423	0.5
67.05511	5.3
68.81104	0.5
69.03445	0.4
69.07072	5.9
69.57510	3.5
75.65375	0.5
79.05495	6.4
81.07061	7.9
83.04965	0.9
83.08628	2.1
85.06554	1.3
87.04476	0.6
91.05488	3.9
93.07049	21.8
95.04951	1.0
95.08608	22.3
97.06552	0.8
97.10185	0.9
98.20754	1.1
98.21362	1.2
104.71535	0.5
105.07032	5.0
107.07872	1.2
107.08597	20.8
109.06522	1.8
109.10164	15.3
111.08102	1.3
117.66416	0.5
119.08598	5.3
121.10148	77.2
123.08073	1.4
123.11728	7.9
125.09676	1.0
129.06935	0.5
130.96600	0.5
131.08569	1.2
133.10126	8.2
135.08089	0.7
135.11676	3.7
137.09628	3.2
137.13266	1.1
139.11198	1.0
143.08557	0.8
145.10124	2.8
147.11696	4.4
149.09633	5.1
149.13274	3.1
151.11191	3.5
155.10687	2.0
156.09280	0.8
157.04936	0.7
157.10124	1.9
159.11713	2.1
161.13258	2.3
163.11247	1.0
163.14832	1.5
165.12717	0.9
167.10712	1.3
169.12195	1.0
171.10139	0.7
171.11668	5.5
173.13289	1.5
175.14844	1.4
179.10674	0.6
181.12257	0.6
185.13264	4.7
187.14815	3.3
189.12750	2.0
189.16432	1.3
191.14337	0.7
191.17949	1.2
199.14819	1.0
201.16441	2.3
203.14246	0.8
208.19887	0.6
212.15750	0.6
215.17993	0.9
217.19489	1.2
231.21078	3.7
235.16925	1.6
241.19524	13.4
259.20584	18.6
277.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.08637	0.5
51.15268	0.5
53.00304	0.5
53.03940	2.3
55.01863	1.0
55.05515	9.3
56.96569	1.3
57.03440	0.6
57.07078	40.3
61.86523	0.5
65.03938	0.8
67.05508	23.4
69.03407	0.7
69.06724	0.7
69.07069	10.5
70.06600	0.6
70.28717	1.5
71.04990	1.3
71.08596	0.5
79.05497	32.9
81.03408	0.6
81.07061	22.7
83.04976	1.4
83.08624	4.9
85.06526	1.5
90.27264	0.4
91.05482	12.6
93.07048	43.8
95.04991	3.5
95.08611	14.4
95.09227	0.6
97.06499	2.0
97.10167	1.7
98.97585	0.7
99.08061	0.9
103.05454	0.5
105.04515	0.5
105.07025	9.4
107.04955	0.7
107.08596	22.7
108.09055	0.6
109.06521	2.1
109.10159	6.4
111.08071	0.8
111.66640	0.6
117.07005	2.0
119.08580	6.5
121.06504	1.3
121.10149	32.8
123.04434	2.3
123.08066	1.1
123.11716	1.9
123.27367	0.5
123.90990	0.5
125.09615	1.0
129.06969	1.1
131.08554	3.1
133.10139	5.9
135.08031	1.3
135.11700	25.6
137.09621	1.2
137.13240	0.7
143.08505	1.4
145.10098	3.2
147.04347	0.7
147.11682	4.1
148.11996	0.5
149.02345	0.5
149.09605	1.9
149.13263	9.6
151.11211	0.9
157.10107	1.3
159.11716	2.9
160.11940	0.5
161.09612	1.1
161.13315	2.8
163.07462	1.0
163.11208	1.8
163.14893	2.4
165.05449	0.5
165.12791	0.6
168.30833	0.5
171.11699	1.9
173.13243	1.7
175.07568	0.9
175.14958	1.1
177.12727	2.1
177.16444	0.8
179.10678	25.0
181.12202	1.3
183.11691	0.6
185.13213	1.7
189.12782	1.1
189.16342	0.8
195.13762	1.5
199.14844	1.1
207.13858	1.0
213.07991	0.7
217.12323	0.7
217.15891	1.8
219.13820	4.8
221.11644	0.6
221.15308	0.7
231.06584	0.8
231.17349	0.7
235.16934	97.9
236.17322	0.8
241.19678	2.4
259.17029	0.8
259.20544	3.8
277.17990	100.0
277.21582	55.3
277.28015	5.7
278.18384	0.9
278.21735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03949	5.0
54.63693	0.9
55.01849	0.9
55.05515	15.6
57.07068	4.2
67.05510	29.8
69.07070	13.4
71.05037	0.8
77.03919	2.0
79.05497	63.0
79.59563	0.9
81.07063	30.8
83.04973	2.3
83.08615	7.9
85.06529	1.3
86.94458	0.9
91.04600	1.0
91.05476	21.5
93.07048	100.0
95.04949	2.7
95.08611	21.6
97.06522	1.4
97.10170	4.8
99.04469	1.1
100.32370	0.9
101.06020	1.0
105.04500	1.4
105.07033	12.2
107.08598	45.1
109.06516	1.9
109.10163	14.0
117.07021	1.4
119.08582	10.1
121.10148	37.9
123.11690	2.8
129.06995	1.1
131.08569	4.0
133.10144	11.8
135.08144	1.0
135.11699	52.1
143.08542	1.4
145.10106	2.8
147.11690	7.8
149.09622	2.1
149.13268	22.2
157.10170	1.5
159.11752	4.2
161.13290	3.8
163.11163	1.5
163.14801	6.5
171.11662	2.6
175.14830	1.7
177.12704	1.7
181.12320	2.3
185.13272	2.1
189.12796	1.1
193.12251	1.6
195.13768	1.5
199.14711	1.7
207.13826	1.8
213.16454	2.5
221.15462	3.5
235.16893	4.6
259.20590	3.7
260.48224	0.9
277.21634	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	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02374	0.9
53.03950	5.3
55.01863	1.1
55.05515	14.5
57.07082	3.7
57.89006	0.7
65.03926	1.4
67.05508	29.2
69.06731	1.2
69.07073	13.7
70.83178	1.5
70.83492	0.8
71.05000	1.2
71.86253	0.7
74.40636	0.7
77.03921	1.8
79.05496	68.9
80.62949	0.9
81.07059	33.2
83.04973	1.4
83.08634	6.5
85.06520	1.9
91.05486	27.1
93.07047	100.0
95.04983	4.0
95.08611	22.1
97.06506	1.3
97.10153	4.4
105.04527	1.3
105.07043	14.5
107.08598	47.8
107.39429	0.7
109.06516	1.6
109.10149	11.8
117.07027	2.9
119.06080	0.7
119.08584	11.2
121.10146	43.1
123.08102	1.7
123.11701	2.4
125.09606	0.9
129.06996	2.0
131.08566	4.2
133.10143	11.2
135.11693	48.3
137.09575	1.2
143.08566	2.7
145.10114	3.4
147.11688	7.4
149.09593	1.7
149.13261	19.4
157.10065	1.6
159.11725	4.0
161.13251	4.9
163.11154	2.1
163.14804	5.4
167.10608	1.4
171.11674	2.7
173.13252	1.9
175.11133	1.5
175.14795	2.2
177.12752	1.1
179.14211	0.9
181.12204	1.3
185.13213	2.8
189.12569	1.1
195.13808	2.2
199.14824	2.4
207.13841	2.1
213.16331	1.1
221.15366	4.1
231.17430	1.1
235.16869	2.5
241.19485	2.4
259.20584	4.5
277.21628	76.0
278.21899	0.8
285.35297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02370	0.4
53.03944	1.7
55.01875	1.7
55.05260	0.7
55.05515	9.6
57.03423	0.8
57.07072	1.3
60.92692	0.3
65.03946	1.3
65.78557	0.4
67.05507	44.2
68.74277	0.3
69.03429	0.8
69.07069	12.3
71.04987	1.5
71.07821	1.2
73.06578	0.4
77.03906	0.5
79.05496	36.9
81.03410	0.8
81.07059	37.9
83.04975	1.4
83.08626	5.2
85.06531	2.0
90.47956	0.4
91.05051	0.4
91.05481	12.8
93.07047	53.6
94.47320	0.3
95.04968	2.4
95.08609	24.8
97.06524	3.6
97.10169	2.3
98.97575	1.5
99.08086	0.9
105.04530	0.9
105.07039	9.4
107.04957	0.6
107.08598	28.0
109.06512	2.6
109.10161	6.6
111.08093	1.2
117.07024	2.7
119.06096	0.4
119.08581	7.7
121.06509	1.4
121.10149	54.2
123.08096	1.9
123.11709	1.4
125.09613	1.6
129.06996	1.4
131.08572	5.0
133.10126	5.8
135.08099	1.1
135.11699	53.0
136.12035	0.4
137.09598	0.9
137.13347	0.4
143.08588	1.6
145.10127	4.3
147.08034	0.4
147.11702	6.1
149.09634	1.0
149.13258	12.9
151.11211	1.2
157.10138	1.3
158.99672	0.9
159.11710	3.8
161.09575	0.7
161.13260	4.0
163.11171	3.1
163.14824	2.3
165.12787	1.2
167.10658	1.0
171.11688	2.1
173.13277	2.5
175.11163	0.4
175.14853	2.3
177.12752	3.7
177.16443	0.4
179.14308	1.1
181.12254	2.8
185.13248	2.9
189.12746	0.4
191.14299	0.7
193.15845	0.6
195.13824	5.5
199.14807	1.0
207.13745	1.3
209.15363	1.3
213.16444	0.7
221.15317	1.7
231.21167	0.5
235.16870	1.9
241.19499	3.6
259.20563	8.7
277.21628	100.0
278.21939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03937	2.0
55.01859	1.8
55.05310	1.1
55.05516	14.2
57.07066	4.6
59.01337	0.9
59.04988	3.2
65.03926	1.2
67.05172	1.3
67.05507	20.6
69.03432	12.4
69.06789	1.2
69.07076	13.7
70.74611	3.4
70.96676	1.1
71.05002	8.1
79.05493	18.9
81.03439	5.4
81.07059	42.7
83.04986	15.9
83.08624	10.9
83.25043	1.0
85.06541	12.0
85.33250	1.1
91.05479	10.3
93.07047	45.2
95.04963	4.5
95.08611	29.1
97.06519	4.9
97.10175	2.1
99.04428	1.3
99.08060	1.9
105.07033	25.5
107.04955	3.2
107.08600	38.6
109.06527	12.4
109.09459	2.1
109.10162	37.9
111.08086	10.3
113.09634	14.3
115.05469	1.3
117.06973	3.1
119.07791	1.8
119.08595	29.9
121.06543	6.1
121.10148	50.6
122.07280	4.2
123.08109	6.0
123.11716	18.3
125.09629	7.0
129.07043	1.4
131.08592	6.2
133.06480	1.6
133.10139	48.6
135.08051	4.6
135.11697	26.6
137.09628	25.3
139.11182	11.3
143.08549	2.4
145.10135	11.2
147.08055	4.6
147.11697	13.8
149.09605	9.6
149.13243	10.4
151.11189	35.5
157.10149	4.1
159.11717	8.3
161.09555	6.1
161.13283	12.7
163.11215	3.3
163.14832	1.7
165.12738	6.8
171.11719	4.0
173.13225	2.7
175.11208	4.6
175.14821	30.0
177.12686	1.9
177.16327	1.1
179.14311	2.0
185.13263	9.5
189.12750	4.0
189.16362	1.4
193.15895	6.1
199.14847	2.4
201.16415	12.3
203.14352	12.6
207.13831	1.2
215.17949	1.5
217.15814	2.8
217.19463	2.1
219.17418	3.9
241.19568	8.0
259.20618	18.6
277.07034	1.5
277.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.05514	6.5
56.96560	1.3
63.12222	0.5
65.03938	1.0
67.05507	35.5
69.07069	5.8
69.81844	1.6
69.82246	1.3
71.04988	0.7
77.03924	0.7
79.05497	36.5
81.07061	25.2
83.05006	0.6
83.08616	3.0
85.02885	0.6
85.06548	1.3
91.05481	7.5
93.07050	46.1
94.53512	0.5
95.04964	1.4
95.08613	15.4
97.06532	1.6
97.10167	0.8
98.97594	1.2
105.07014	4.0
107.08601	20.2
109.06551	1.1
109.10162	4.5
109.63125	0.4
111.08091	1.3
114.09205	0.9
117.07041	1.6
119.08587	4.1
121.06502	1.7
121.10150	72.7
123.08075	1.2
123.11730	1.0
129.06981	1.1
131.08574	2.4
133.10133	4.2
135.11703	43.9
137.09641	1.3
139.11197	1.7
143.08597	1.1
145.10110	2.1
147.11696	2.6
149.09621	1.3
149.13255	7.3
153.09151	0.5
159.11720	3.4
161.09708	0.8
161.13280	1.9
163.11177	2.0
163.14832	1.1
164.07080	1.9
171.11728	0.7
173.13310	1.1
175.14850	1.4
177.12730	2.4
179.14270	0.7
181.12267	1.9
185.13197	0.5
195.13766	3.0
201.16379	0.6
209.15370	0.5
213.07956	0.9
218.96005	0.5
221.15433	0.6
231.06609	0.7
235.16946	0.9
241.19524	1.3
259.20618	4.2
277.21634	100.0
278.13824	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	277.2167
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02377	0.6
51.09359	0.6
52.59788	0.6
53.03942	2.1
55.01862	0.7
55.05523	5.2
56.96570	1.4
59.49168	0.7
65.03947	0.9
67.05512	36.5
68.92411	0.6
69.03432	0.7
69.07072	6.9
69.59840	4.5
71.04988	1.0
73.02911	0.7
79.05500	37.3
80.85293	0.6
81.07066	27.1
83.05002	1.0
83.08623	3.7
85.06524	1.5
86.02238	0.8
91.05488	11.1
93.07056	51.3
93.94773	0.6
95.04966	2.1
95.08050	1.1
95.08616	16.1
96.90014	0.7
97.06525	1.7
97.10176	1.5
98.20823	0.9
98.21365	1.4
98.97594	2.2
99.08088	0.7
105.04569	0.7
105.07038	4.5
107.08606	21.5
109.06539	1.1
109.10159	5.2
111.08081	1.4
116.76568	0.7
117.07025	2.5
119.08585	4.9
119.97876	0.8
121.06519	1.6
121.10155	79.9
123.08073	1.3
123.11727	1.6
127.07539	0.8
129.07031	1.5
131.08568	2.4
133.10156	4.5
135.08093	0.9
135.11703	46.0
139.11217	2.2
139.13338	0.8
145.10150	2.9
147.08032	0.8
147.11720	2.0
149.09625	1.3
149.13258	6.9
151.11209	0.8
159.11703	5.1
161.13274	1.8
163.11211	1.2
163.14835	1.0
164.07071	1.8
171.11697	1.5
173.13271	1.6
175.14824	1.4
177.12750	1.8
179.10574	0.7
179.14410	0.8
181.12212	2.5
185.13297	1.0
191.14310	0.8
195.13799	2.7
231.08807	1.1
235.16893	1.2
241.19472	1.7
259.20563	4.3
277.18185	3.9
277.21643	100.0
278.13901	1.6
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	coniferonic acid
Peak:m/z	Relative Intensity
53.03930	2.4
55.01837	1.1
55.05518	10.2
56.96572	1.2
57.07073	1.8
63.99845	1.1
65.03923	2.1
67.05505	40.0
69.07066	10.6
70.76756	2.1
71.04992	1.2
79.05499	54.7
81.07059	38.9
83.04993	1.8
83.08611	5.1
83.72213	1.2
85.06539	2.6
91.05489	15.8
93.07050	69.5
95.04968	4.0
95.08615	25.2
97.06539	3.7
97.10119	1.3
98.21023	1.6
98.97615	1.3
105.07039	9.0
107.04954	1.7
107.08600	40.2
109.06512	1.6
109.10162	9.6
111.08102	2.3
117.07029	2.5
119.08603	10.9
121.06472	3.9
121.10152	80.7
123.11702	2.7
128.03313	1.1
128.06212	1.2
129.06987	2.0
131.08553	4.2
133.10155	8.1
135.11703	57.0
135.94258	1.2
137.09599	2.0
137.74036	1.1
139.11176	2.1
141.07019	1.2
143.08575	2.4
145.10115	4.1
147.11714	4.0
149.09647	1.6
149.13268	13.7
155.01901	1.6
157.06503	2.4
157.10168	1.9
159.11746	6.7
161.13210	3.7
163.11166	2.3
163.14842	2.0
171.11690	1.7
173.03008	1.8
173.13223	2.2
175.07594	1.9
175.14876	2.1
177.12778	3.4
179.14250	1.1
181.12183	1.9
185.06065	1.3
189.12926	1.2
195.13805	4.4
203.07104	1.5
203.14252	1.2
213.05437	1.5
213.08073	1.2
215.04070	1.5
221.15350	1.9
226.55090	1.1
231.06589	2.7
235.16856	2.0
241.19353	2.4
249.02649	1.2
253.30542	1.1
259.20630	8.5
277.07034	4.7
277.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03940	1.8
55.01863	1.1
55.05511	8.3
56.96560	0.8
57.03413	0.5
57.07069	1.1
57.78231	0.5
59.43035	0.5
65.03939	1.2
67.05505	41.7
68.30757	0.5
69.07066	7.7
70.08199	1.1
70.08613	1.6
71.04981	1.4
77.03945	0.7
79.05493	47.6
81.07057	31.8
83.04983	1.3
83.08627	4.4
85.06550	2.1
86.09723	1.2
91.05482	12.5
93.07044	65.3
95.04984	2.6
95.08606	21.0
97.02906	1.0
97.06530	1.6
97.10168	1.3
98.20847	0.6
99.08081	1.1
104.10714	0.7
105.04539	1.4
105.07026	7.8
107.08595	32.7
109.06515	1.3
109.10161	6.6
111.08085	0.8
113.06001	0.6
117.07021	2.3
119.08582	6.3
121.06501	1.5
121.10145	77.2
123.08070	1.2
123.11726	1.4
129.06992	1.7
131.00163	0.6
131.08578	4.0
131.79987	0.5
133.06479	0.5
133.10130	6.5
135.08087	1.1
135.11694	54.4
137.02313	0.9
137.09645	1.2
138.53023	1.1
139.07533	0.7
143.08588	1.3
145.10135	4.0
147.11668	4.0
149.09616	1.1
149.13258	12.8
151.11224	1.0
152.66069	0.5
157.06519	1.5
157.10117	0.8
159.11702	5.5
161.09639	0.6
161.13248	2.2
163.11198	2.2
163.14847	2.4
167.10551	0.7
170.93208	0.6
171.11671	1.4
173.06218	0.6
173.13280	1.8
175.07532	1.5
175.14825	1.6
177.12738	2.7
177.65636	0.5
181.12222	3.2
185.06006	1.0
185.13287	1.7
187.14725	0.5
195.13812	5.4
199.14972	0.5
202.02106	0.6
203.07059	1.3
207.10970	0.5
207.13715	0.7
209.15433	0.7
213.05719	0.7
213.07986	1.5
213.16530	0.6
221.15317	1.5
223.81036	0.6
231.06523	2.7
231.08929	1.2
235.16939	1.5
240.09813	0.8
241.19496	2.5
259.20511	4.7
277.07053	1.6
277.21625	100.0
278.21667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1753
Annotation	Lycoposerramine E
Peak:m/z	Relative Intensity
55.05514	0.3
56.96578	0.2
57.03425	0.6
57.06878	0.2
57.07080	2.3
64.80280	0.2
65.03922	0.3
67.05508	4.3
67.77579	0.2
68.48912	0.2
70.23471	0.9
71.04992	0.6
85.02910	0.3
85.06549	7.4
95.04969	0.6
98.97581	0.5
119.39915	0.3
124.79687	0.2
132.08093	0.8
133.08853	1.4
137.05998	0.5
142.97766	0.2
145.78259	0.2
146.09668	0.3
147.04417	0.3
147.10489	0.3
148.11215	36.4
149.02371	1.2
149.23901	0.2
150.09157	0.5
158.06857	0.2
158.99664	0.3
174.12808	0.2
218.05319	0.3
232.16974	45.0
233.17273	0.4
258.29910	0.2
263.14890	0.2
266.72357	0.2
278.17520	100.0
279.17896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	6.0
57.66644	5.0
63.59381	5.4
69.03438	8.6
70.46912	16.9
84.08134	9.4
85.02908	16.2
97.02880	5.9
98.97593	73.7
99.04465	5.9
101.00874	17.7
103.00600	6.5
110.97591	11.3
116.98629	23.7
119.01894	20.9
121.01614	6.8
128.98602	8.0
132.98128	6.3
143.01901	8.6
149.02348	15.4
157.03474	18.9
158.99686	14.8
174.84709	5.4
175.04636	5.6
177.00735	13.4
189.00716	8.6
193.00156	5.7
205.05652	5.3
223.06714	18.6
275.06027	5.8
279.04813	100.0
279.06912	6.4
279.09656	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	279.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44842	0.9
54.46572	1.0
55.05518	1.5
55.88953	1.4
57.07082	14.3
60.85259	1.0
65.03959	1.9
67.05489	4.4
67.14126	1.1
69.03420	2.9
69.07068	2.0
69.79602	3.6
69.80001	2.0
71.04996	14.8
77.98109	0.9
79.05489	11.6
81.07063	77.8
83.04976	1.3
85.01115	1.3
85.02898	1.8
85.06570	1.9
89.06049	1.2
90.98523	2.3
91.05477	4.7
93.07065	9.3
95.04987	6.2
95.08595	5.0
97.02876	1.6
98.21413	1.6
98.97581	4.4
99.71805	1.0
103.05482	1.4
105.07030	3.0
107.08601	7.5
109.06535	8.1
109.10178	10.8
111.02642	2.2
111.04436	1.7
116.65973	1.2
119.04958	3.2
119.08571	2.4
120.01167	1.7
120.08109	10.9
121.02847	3.0
121.06524	2.4
123.08039	1.7
123.11709	4.4
127.05773	2.3
133.10126	3.9
135.11674	4.5
137.09656	8.6
139.11168	1.1
147.04422	13.4
149.02354	100.0
151.11195	35.4
152.11990	5.0
153.12752	10.7
155.05281	1.1
158.99628	1.2
169.12262	4.6
178.20319	1.1
191.08621	1.6
199.07927	2.0
202.19118	1.1
205.08545	1.6
208.08827	1.3
219.08096	2.9
243.10530	54.8
247.07628	1.9
251.10828	1.7
261.11581	38.9
265.71585	1.3
279.09818	4.1
279.12726	10.6
279.15591	1.4
279.16751	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1593
Annotation	Hyrtiosenolide B
Peak:m/z	Relative Intensity
53.03940	3.4
55.01856	7.2
55.05497	7.5
56.96556	5.4
57.03424	5.2
57.07086	8.0
61.02910	6.1
65.03934	1.6
65.78382	1.6
67.05511	11.6
69.03445	12.3
69.07045	5.9
69.45148	13.6
71.01350	1.9
71.04990	4.3
71.19924	1.8
73.02921	3.9
79.05490	16.4
80.08575	1.6
81.03410	5.9
81.07062	22.3
83.04985	4.3
83.08583	2.0
85.02889	10.3
87.04461	2.2
91.05486	24.6
93.07050	50.3
95.04973	9.5
95.08595	12.4
97.02881	7.6
97.06528	3.1
98.97585	25.4
99.04461	5.2
101.02377	1.7
103.03922	2.6
103.05441	2.0
105.07033	38.0
107.04931	4.4
107.07870	3.0
107.08595	44.0
109.06506	7.4
109.10146	7.3
111.04440	3.3
115.03912	5.9
115.05463	3.8
116.98616	5.3
117.07020	11.6
119.04935	3.4
119.08581	27.9
121.02853	3.0
121.06517	15.9
121.10122	12.2
123.04414	2.5
123.08086	3.0
123.11742	1.8
127.03899	1.9
128.06209	4.7
129.02252	2.2
129.05467	3.0
129.06996	8.3
130.07823	2.3
131.08586	19.8
133.06520	3.6
133.10144	28.7
134.62648	1.6
135.08069	5.1
135.11713	16.3
137.05963	3.0
139.77367	1.6
141.07019	2.6
142.07777	4.6
143.08565	13.3
144.09393	1.8
145.06482	5.8
145.10121	23.6
147.04427	1.9
147.08055	7.2
147.11699	18.8
149.02365	57.6
149.09595	5.2
149.13266	3.3
151.11159	4.0
153.06934	1.6
155.08575	9.0
156.09383	2.6
157.10158	13.3
158.99689	10.7
159.08080	8.6
159.11725	20.3
161.06113	1.7
161.09642	7.4
161.13239	6.4
163.11218	11.2
165.12830	2.3
167.08577	2.5
169.10092	4.4
171.08061	3.9
171.11717	8.6
173.09634	7.0
173.13237	5.3
175.02779	2.3
175.11182	7.1
177.00694	6.8
177.06738	8.9
177.09097	1.7
177.12737	10.8
183.11749	4.4
185.09671	2.5
186.07198	2.6
187.11147	9.1
189.09039	1.8
189.12712	11.8
189.57220	1.6
191.14337	4.0
194.37846	1.8
197.13242	3.9
199.11217	3.1
201.12776	9.9
203.10744	2.0
203.14316	3.3
205.12216	3.1
213.12793	2.3
215.10973	1.6
215.14311	6.8
219.13852	10.3
221.11604	2.2
225.07965	2.8
225.12872	4.9
231.13899	9.2
233.15390	5.6
243.09138	5.6
243.13852	14.5
249.14810	5.1
261.14890	39.7
279.15933	100.0
281.38739	1.6
285.10095	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	279.1706
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
50.66802	0.4
52.37793	0.4
53.03962	0.5
55.05518	0.9
56.05021	0.4
56.07265	0.4
56.96578	0.4
57.07077	9.5
57.65882	0.4
58.06607	0.5
65.03938	0.9
67.05497	1.9
69.03430	1.0
69.07072	9.3
70.06585	0.5
71.04992	0.5
71.12320	0.8
79.05507	0.6
81.07066	1.9
84.08149	0.4
84.49362	0.4
85.02896	0.9
86.09708	100.0
91.05481	2.2
93.07051	0.9
95.04967	0.7
95.08619	1.0
97.02895	4.6
98.97589	2.9
103.05490	0.6
105.07039	0.5
107.04938	1.0
107.08646	0.7
109.02859	0.6
109.10175	0.8
110.97553	0.5
116.98604	0.7
117.06996	0.5
118.47045	0.4
119.04951	3.4
119.08585	0.5
120.08107	7.6
121.02862	2.6
121.06498	0.8
121.10194	0.8
123.08109	0.5
129.07004	0.5
131.08502	0.5
133.10098	0.4
137.05968	1.1
138.06326	0.9
143.00117	0.6
145.06453	0.9
147.04416	17.8
149.02345	68.3
158.99707	0.6
161.06021	0.5
163.03859	0.7
165.05571	0.4
166.08635	5.1
167.03426	1.0
167.06911	0.4
175.07570	0.4
177.00768	0.8
177.05476	0.5
183.89894	0.4
187.07567	0.5
191.08565	0.7
195.02687	0.9
200.36226	0.5
202.06567	0.5
204.07236	0.5
205.06630	0.7
205.08623	1.4
207.06538	0.5
215.10768	0.6
219.01726	0.6
219.03682	0.4
219.08034	1.5
236.08386	0.8
241.07669	0.4
247.07561	0.8
251.06918	0.4
251.10606	1.2
259.08389	3.0
261.07416	0.6
264.07535	0.5
279.10052	2.3
279.17114	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	279.1704
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
53.18870	0.4
57.07077	6.2
63.54624	0.3
65.03941	0.6
67.05499	1.0
68.37809	0.4
69.03436	1.0
69.07079	0.4
69.50783	1.4
69.51216	1.1
73.89951	0.3
79.05511	0.7
81.07059	0.6
83.86297	0.3
85.02905	0.9
86.09708	100.0
91.05482	2.0
93.07040	1.2
95.08635	0.6
97.02882	2.3
98.20824	0.8
98.21465	0.6
98.97585	2.9
103.05461	1.9
105.07041	0.7
107.04990	0.6
107.08606	1.0
108.76695	0.3
111.69115	0.4
116.98637	0.9
119.04939	5.4
120.08109	39.0
121.02898	1.9
121.06471	0.4
132.10167	0.7
137.06009	0.6
143.00153	0.5
147.04416	28.4
149.02344	42.9
152.34319	0.4
155.04871	0.4
158.99586	0.9
165.05537	0.8
166.08652	10.6
167.03448	0.5
170.99800	0.4
175.07620	0.4
177.00737	0.7
177.05576	0.4
190.07841	1.0
191.08591	2.0
195.17603	0.4
205.08730	0.5
208.08827	0.6
214.11035	0.5
218.07263	1.0
219.08022	3.9
221.06062	0.5
229.13312	1.8
233.16547	0.8
236.08345	0.7
243.06580	0.7
247.07584	2.6
248.08363	0.7
249.02667	0.4
250.69287	0.3
251.10645	3.7
261.07675	1.4
264.07813	0.7
279.07602	0.4
279.10297	6.9
279.17035	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	279.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
57.07080	8.5
65.03945	1.1
67.05499	1.6
69.07075	1.1
70.13885	1.3
77.03936	0.9
79.05498	21.2
81.07055	2.1
83.02247	0.4
89.04755	0.4
90.99023	0.5
91.05466	2.4
95.04973	2.6
95.08613	1.1
103.05479	11.3
105.04535	1.2
105.07037	94.6
107.08602	4.2
109.10175	0.9
111.04436	0.5
119.08625	0.6
121.02885	3.2
121.03951	0.6
123.11703	0.5
123.47678	0.4
133.06499	54.9
135.08061	100.0
145.10455	0.7
147.91295	0.4
149.02351	72.7
151.07552	21.4
151.08817	0.6
157.10457	0.4
167.03395	1.8
167.05228	1.3
174.09116	0.4
190.05005	1.1
196.34863	0.5
201.04730	1.0
205.08615	0.7
219.05696	2.6
279.09320	4.9
279.17831	5.6
279.23264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	Hedaol B
Peak:m/z	Relative Intensity
53.03945	2.3
55.01870	1.6
55.05516	19.2
55.05783	1.0
57.03441	2.6
57.07080	4.5
59.05013	0.9
65.03936	2.7
67.05508	85.8
69.07071	21.9
69.85857	2.3
70.74145	0.6
71.04999	5.0
71.08642	0.7
79.05498	25.4
81.07063	100.0
83.04987	3.1
83.08622	15.0
85.06548	4.4
91.05487	13.3
93.07052	27.9
95.04993	1.4
95.08612	88.0
97.06532	8.7
97.10175	7.9
98.20779	0.6
98.21301	1.3
99.08086	2.7
105.07040	10.3
107.04970	0.7
107.07870	0.7
107.08601	17.9
109.06518	1.7
109.10163	40.1
111.08096	4.6
111.11738	1.8
113.09668	0.7
117.07043	3.0
119.08582	10.5
121.06511	1.2
121.10155	22.5
121.11036	1.3
123.08096	3.3
123.11717	16.6
125.09630	2.2
131.08559	7.2
133.10130	10.2
135.08073	2.3
135.11699	16.2
137.09616	3.2
137.13269	8.1
139.11215	1.3
145.10127	7.2
147.11703	10.4
147.99388	0.7
149.02356	14.4
149.03488	1.0
149.09666	3.5
149.13268	6.0
151.11232	2.3
151.14815	2.8
153.12755	1.0
159.11711	3.1
161.13257	8.9
163.11221	1.4
163.14861	1.9
165.12784	4.6
165.16414	0.8
173.13271	4.5
175.14880	2.9
177.12762	1.4
177.16371	2.5
179.14278	3.2
181.12259	1.5
183.13843	0.7
187.14847	3.0
191.14366	0.9
195.13892	1.9
201.16429	1.0
205.15999	1.3
209.15422	2.4
219.21133	1.6
223.16997	2.9
237.18480	1.1
243.21127	9.1
251.23657	0.8
261.22168	21.8
279.23206	70.2
280.23642	0.8
295.79697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2322
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03956	0.9
55.05511	7.8
56.12650	0.5
57.06829	0.6
57.07075	3.3
65.03952	2.5
67.05510	100.0
69.07072	8.6
70.76194	1.2
71.05001	1.3
71.08624	0.8
79.05501	11.0
81.07064	94.5
83.04987	1.3
83.08627	4.7
85.06566	1.9
85.13338	0.6
91.05486	3.3
93.07055	10.5
95.04982	0.7
95.08614	80.8
97.10184	2.2
105.07033	2.6
107.08602	8.1
109.06546	1.3
109.10163	25.7
111.08134	0.7
111.11698	1.0
117.07010	1.5
119.08598	2.0
121.10140	5.8
123.08073	1.4
123.11721	15.6
124.30662	0.6
124.40704	0.6
125.09627	0.6
127.07569	0.8
131.08578	4.6
133.10115	3.0
135.08119	0.9
135.11720	5.3
137.09671	1.2
137.13275	13.1
145.10120	2.3
147.11691	2.4
149.02359	9.7
149.09637	1.7
149.13318	2.9
151.14839	4.7
156.65979	0.7
159.11755	2.8
161.13283	2.0
163.11194	1.4
163.14856	1.5
165.12782	1.0
165.16310	1.2
167.10756	0.7
173.13275	6.4
177.12802	2.3
179.14371	0.8
181.12244	2.4
187.14891	2.9
189.87738	0.6
191.14357	2.7
195.13795	3.3
205.15968	0.9
209.15427	4.7
223.16960	3.8
237.18515	0.8
243.21120	2.9
261.22217	2.9
279.23227	27.4
279.26318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03951	1.0
55.01881	0.7
55.05511	7.9
57.07072	2.6
65.03952	3.0
67.05511	96.0
69.07073	9.2
70.73466	1.8
71.04999	0.7
79.05502	11.6
81.07065	100.0
83.04986	1.6
83.08631	5.0
84.55367	0.7
85.06552	1.7
89.15898	0.6
91.05501	3.3
93.07055	11.4
93.17011	0.6
95.08617	81.5
97.06545	0.8
97.10159	1.6
104.20506	0.6
105.07041	3.1
107.08595	6.7
109.06522	1.5
109.10169	26.6
111.08097	0.8
111.11709	1.0
117.07056	1.8
119.08597	3.1
121.10167	5.3
123.08093	1.5
123.11717	15.0
131.08591	6.4
133.10156	2.3
133.18263	0.6
135.08080	1.0
135.11700	5.1
137.09631	0.9
137.13281	12.6
137.14259	1.3
141.09149	0.9
145.10139	2.5
147.11772	3.5
149.02361	8.5
149.09624	1.5
149.13300	3.2
151.11292	0.8
151.14792	4.4
159.11725	2.5
161.13264	1.5
163.11240	1.8
163.14900	2.2
165.12785	1.4
165.16434	1.2
167.10590	1.0
171.59027	0.7
173.13290	8.1
177.12776	2.7
177.16223	1.0
179.14290	1.0
181.12270	1.9
187.14915	3.4
191.14322	2.9
195.13776	3.2
205.15842	0.9
209.15459	5.0
223.16919	3.6
234.05873	0.7
243.21088	2.7
261.22119	3.6
279.23227	28.8
297.07611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.3
57.07066	0.5
59.05009	0.3
60.32312	0.2
65.03940	0.7
69.81772	0.9
70.71485	0.2
74.41724	0.2
91.05489	7.5
92.05036	0.2
93.07054	0.3
97.02911	0.2
98.21463	0.4
98.97582	0.5
116.98648	0.2
119.04949	23.4
121.02804	0.2
121.06528	2.1
130.06519	0.2
144.04587	0.2
146.06015	0.3
147.04417	100.0
148.04709	0.7
149.02350	2.6
150.02682	2.8
157.08473	0.7
160.95024	0.2
169.08467	0.2
176.07082	0.4
184.09544	0.5
187.04405	0.4
188.07089	0.6
189.07472	0.4
204.06645	0.5
216.06566	0.3
220.09657	1.6
230.10117	1.3
236.09074	0.9
248.09164	0.5
280.08215	1.3
280.11780	1.7
280.15302	0.4
289.09711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0818
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
51.41561	0.5
51.89642	0.4
56.96567	0.6
57.07070	1.4
58.07420	0.5
60.88099	0.5
61.04675	0.5
65.03943	1.4
66.98970	0.4
69.41492	1.9
69.41920	1.9
70.06591	0.6
74.85450	0.5
76.96391	0.5
79.05502	1.0
81.07049	0.8
91.05490	7.4
92.05029	0.8
93.07063	0.6
95.04919	0.6
103.05457	3.3
104.04987	1.4
105.06996	0.5
106.06570	0.7
110.54043	0.5
116.04979	1.2
117.05762	4.5
118.06533	1.9
118.17866	0.5
119.04961	16.0
119.73817	0.6
120.04476	1.3
120.08073	1.0
121.02860	0.7
121.06503	2.6
122.06033	1.2
130.06541	21.7
131.07320	2.7
132.04442	1.7
132.08089	1.4
134.06033	0.7
144.04457	5.8
146.06000	1.0
147.04422	62.3
148.03931	0.9
148.07559	2.0
149.02367	9.0
150.02676	5.5
150.05489	1.5
158.06015	1.2
160.07553	2.7
164.07060	1.3
172.03917	2.2
174.05531	4.9
175.06342	0.7
176.07086	22.2
178.04984	2.4
178.08522	0.5
179.04759	0.6
187.54617	0.5
188.07077	8.9
191.09427	4.0
192.06651	1.2
202.05008	8.6
204.06581	38.1
216.06590	5.3
216.82619	0.5
220.06198	9.9
220.09688	22.3
222.05872	0.5
230.04488	2.8
234.07616	14.9
236.09190	100.0
237.09421	0.8
248.05566	6.2
248.09212	11.5
262.07089	8.8
280.08170	94.9
280.11755	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	281.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68610	0.4
56.96563	9.4
57.03445	0.6
69.03427	1.0
70.78223	1.3
71.95262	0.7
72.25161	0.5
73.02901	0.6
81.03419	0.5
82.13509	0.5
85.02898	2.4
90.81425	0.4
91.05479	0.9
93.07059	0.7
98.97591	100.0
100.99152	1.6
101.00888	0.7
108.51937	0.5
110.97609	0.9
112.99144	1.9
116.98634	19.2
119.00099	0.9
119.01913	1.0
121.06530	4.1
122.06821	0.7
124.99130	5.8
128.98596	1.4
131.00192	7.9
134.99684	1.4
137.05980	0.9
143.00174	9.5
146.99731	1.1
149.01236	6.7
150.07780	0.7
155.00198	2.2
158.94955	0.5
158.99664	11.5
161.01227	11.8
163.03987	1.5
167.02228	0.8
173.01303	2.8
173.02670	0.5
177.00734	5.4
179.02283	14.9
185.01308	0.9
191.02266	2.7
191.04012	1.1
197.03304	4.6
200.04521	0.9
219.01793	0.8
221.03340	12.1
239.04396	48.5
257.05438	6.0
258.04651	0.7
260.03159	0.5
262.06143	0.6
281.05453	46.6
299.06635	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1022
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
51.65125	1.3
53.03960	2.2
55.01875	6.6
55.05511	2.4
56.96559	2.2
57.03435	6.3
57.07091	1.5
58.63381	1.3
61.02942	2.2
69.03441	13.1
69.65591	9.8
70.06593	2.4
71.01353	2.2
72.08139	1.5
73.02918	7.5
79.05514	5.0
81.03420	14.5
81.07068	3.0
83.04950	1.9
85.02911	16.7
86.09742	2.1
87.04477	1.9
88.04008	2.3
91.05477	14.8
93.07064	7.7
95.04937	2.4
95.08625	3.1
97.02901	100.0
98.20788	1.6
98.97601	18.7
99.04467	3.4
103.03933	3.1
103.05470	7.0
105.07058	8.3
107.04969	4.8
109.02908	2.3
109.06546	2.0
109.10200	1.8
111.04451	6.7
112.00723	1.3
114.15331	1.4
115.05485	11.2
116.98636	6.1
117.07037	11.1
119.04955	6.3
119.08558	2.5
120.06554	3.0
120.08140	6.3
121.06509	20.1
123.04443	29.5
123.07944	3.7
128.06226	19.3
129.06055	1.5
129.07018	31.2
131.04959	13.1
131.08586	5.1
133.06505	6.1
135.04456	5.5
136.05194	4.0
136.06187	31.9
137.05988	53.4
141.07010	11.7
143.00157	1.8
143.04932	5.0
143.08553	14.7
144.05769	1.7
145.06488	21.1
146.21526	1.4
147.04454	17.5
147.08072	5.6
149.01250	1.8
149.02351	3.7
149.06001	33.9
149.07121	2.9
150.02657	3.2
150.07777	1.5
151.02950	3.1
151.07555	7.7
152.06224	2.5
153.07008	11.3
155.04897	2.9
155.06039	3.1
157.06500	29.4
158.99657	3.1
159.08029	5.5
160.05226	6.3
161.01247	3.1
161.06000	26.2
161.09724	2.1
162.04140	19.4
163.03925	11.8
163.07573	11.4
165.05487	31.1
165.09146	1.6
166.08670	2.2
167.07050	23.9
169.06461	8.8
171.08092	19.3
173.06026	21.3
174.05467	1.6
174.06734	9.0
175.07550	50.5
175.08994	2.9
176.04703	2.8
177.00793	2.0
177.05424	9.1
179.07079	7.7
181.05000	2.9
181.06441	15.6
183.04475	1.6
184.05258	3.8
185.05998	11.1
187.07576	12.9
189.05504	18.8
189.07164	2.3
189.07458	2.1
189.09100	15.3
191.07034	36.6
193.08586	1.6
197.05984	3.7
199.07567	33.1
201.05464	3.4
202.06270	3.6
203.07030	27.0
205.08685	4.2
207.06543	8.6
209.06017	2.8
209.08151	3.2
215.07076	11.1
217.08618	23.7
217.10399	2.4
219.06602	4.3
221.08156	4.5
227.07018	19.3
233.08124	21.2
235.09622	2.5
239.04451	6.5
245.08116	81.1
251.09158	15.4
257.05411	2.2
263.09158	77.1
281.05560	7.1
281.10214	49.4
281.14743	3.3
299.06259	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.03011	1.9
53.03942	7.1
55.01861	4.4
55.05517	36.1
56.96563	2.5
57.03442	22.9
65.03929	3.6
67.05508	81.2
69.03417	2.8
69.07074	15.4
69.61253	1.9
70.95352	4.1
71.04981	5.7
73.06537	2.8
79.05499	100.0
81.03429	15.9
81.07064	71.9
83.04990	29.4
83.08611	12.7
85.06544	4.8
91.05487	66.4
91.05951	1.3
92.05818	2.0
93.07053	69.6
95.04975	25.8
95.08611	46.7
97.06544	8.3
97.10175	5.7
98.97638	4.1
99.04470	1.7
99.08125	2.0
103.05476	3.0
105.04565	3.1
105.07040	54.5
107.04957	8.3
107.08607	22.7
109.06522	7.8
109.10143	11.9
111.08092	1.9
113.09698	3.0
114.00306	1.7
115.05458	2.1
117.07030	9.7
119.08598	27.2
121.06540	14.6
121.10152	7.7
123.08074	7.7
128.06218	2.7
129.07022	17.9
131.08577	4.7
131.43925	1.7
133.10144	17.8
135.11720	3.6
143.08597	8.6
145.10126	10.7
147.08014	2.1
147.11694	42.7
150.02652	2.4
152.77707	1.8
161.09673	5.0
161.13258	18.8
171.11707	35.5
177.62421	2.0
179.14243	2.1
189.12766	12.3
191.87505	1.6
207.13835	15.7
257.05215	1.8
263.23923	2.1
281.05533	2.3
281.12326	4.0
281.14706	3.8
281.17514	59.6
303.36871	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1751
Annotation	Nardosinanol I
Peak:m/z	Relative Intensity
53.03938	5.3
53.90549	1.6
55.01876	21.0
55.05519	25.4
56.96547	3.8
57.03444	45.8
57.07066	4.5
58.62970	1.5
60.32590	1.3
65.03922	2.1
67.05175	2.6
67.05511	45.3
68.01613	1.5
68.99798	11.2
69.03448	10.9
69.07075	22.2
70.11900	1.4
71.01367	1.8
71.04982	6.3
71.08623	2.3
71.57405	1.8
79.05503	26.8
81.03426	9.9
81.07066	88.2
83.01328	5.1
83.04974	9.7
83.08608	6.7
85.06569	3.0
87.00814	4.9
91.05485	17.6
93.07053	31.7
95.04982	29.6
95.08618	66.9
97.02897	2.8
97.05914	2.5
97.06544	51.0
97.10180	9.9
98.97602	11.8
99.00822	34.0
99.08093	18.7
105.07024	15.6
107.04948	7.9
107.08614	21.0
109.02896	7.5
109.06502	6.5
109.10165	18.3
111.04459	3.8
111.08112	3.7
113.09619	3.5
116.98618	2.8
117.06989	5.4
118.48376	1.5
119.04939	2.0
119.08601	20.7
121.02837	1.5
121.06522	15.2
121.10145	12.0
123.04449	26.4
123.08078	31.0
123.11704	2.6
125.06005	23.3
125.09660	3.9
127.03926	4.0
129.06952	5.0
131.08585	16.6
133.06488	4.1
133.10129	9.9
135.04439	5.0
135.08080	10.8
135.11674	5.3
137.06058	1.8
137.09647	19.1
139.07515	3.1
141.05487	40.8
141.09096	4.8
143.07053	7.1
143.08424	1.4
145.10101	4.4
147.08080	12.9
147.11679	6.6
149.05998	2.9
149.09639	15.3
149.13237	6.6
151.02841	1.9
151.07576	14.5
151.11195	2.2
153.09200	2.2
158.99686	2.4
159.06604	3.6
159.08044	4.8
161.09633	2.3
161.13245	2.6
163.11139	2.4
163.14854	3.2
165.07764	3.3
165.09129	59.0
167.07085	18.8
173.13203	3.9
175.11124	2.0
175.14824	3.0
177.09111	22.2
177.12744	4.8
179.10654	1.9
183.10193	74.2
185.08119	11.1
186.24754	1.6
191.14314	12.6
193.15927	4.1
195.10201	13.6
201.12761	2.6
203.14259	1.8
217.15860	5.2
219.13828	59.9
219.15942	3.7
221.15419	22.2
234.92297	2.4
237.14880	100.0
239.04350	6.6
245.15399	4.7
249.18463	4.5
263.16458	73.1
281.05386	4.4
281.17480	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Nardosinanol I
Peak:m/z	Relative Intensity
50.26169	1.9
51.37877	2.0
53.03954	4.4
55.01872	22.9
55.05516	38.2
56.96551	9.5
57.03184	3.2
57.03440	43.0
57.07078	11.5
63.91619	2.2
64.44608	2.2
67.05172	3.8
67.05508	55.6
68.05836	3.9
68.99795	11.9
69.03421	9.0
69.06723	3.1
69.07072	49.5
71.01345	4.1
71.04983	10.7
71.08627	3.6
79.05067	3.2
79.05494	42.1
81.03426	10.4
81.07062	100.0
82.07391	4.1
83.01340	5.4
83.04969	10.7
83.08617	26.9
85.02886	2.9
85.06520	5.5
87.00797	4.5
91.05488	23.7
92.89883	2.3
93.07056	43.3
95.04974	31.1
95.08612	84.0
95.38336	2.2
96.08939	3.4
97.02921	3.2
97.05921	2.8
97.06540	53.9
97.10162	20.4
98.97590	21.9
99.00821	22.2
99.08099	19.9
103.05483	3.0
105.07021	22.4
107.04955	9.1
107.08604	27.4
109.02892	4.7
109.06507	6.2
109.10165	27.7
111.04427	4.4
111.11710	6.6
113.09633	3.3
114.86121	3.0
116.98592	5.5
117.07030	3.2
119.08591	28.5
121.02857	2.4
121.06510	23.2
121.10153	22.8
123.04424	22.8
123.08089	33.6
123.11704	7.1
125.06001	21.2
125.09599	5.2
127.03959	2.9
129.06995	3.6
131.08556	20.4
133.06519	2.9
133.10124	15.8
134.38834	2.3
134.99661	2.3
135.04428	4.9
135.08047	12.7
135.11652	8.0
137.05974	2.7
137.09602	18.6
137.13199	4.9
139.07523	4.9
139.11131	4.7
141.05464	35.7
141.09090	4.5
143.07005	7.2
145.10098	3.8
147.08054	8.7
147.11667	10.7
149.01233	2.9
149.02318	3.9
149.05965	3.0
149.09644	10.9
149.13254	13.1
151.02757	3.0
151.07533	9.5
151.11081	2.9
151.14897	2.7
159.06453	5.0
159.08141	5.7
159.11679	3.3
160.14807	2.5
161.09512	2.8
161.13191	7.1
163.07535	3.4
163.14847	3.7
165.09129	55.3
167.07027	15.5
173.13246	5.1
175.14862	5.4
177.09103	21.9
177.12724	7.1
183.10185	62.3
185.08173	10.8
189.16396	2.9
191.14288	12.2
193.15863	5.6
195.10155	12.4
197.03328	2.8
217.15921	5.4
219.11772	3.5
219.13821	58.1
221.03439	2.9
221.15367	21.4
237.14876	91.0
237.17252	4.8
239.04384	9.5
241.11197	2.4
245.22572	11.1
250.01605	2.6
263.16422	72.1
263.23502	7.0
278.18927	3.9
281.05383	7.9
281.10455	3.3
281.17462	82.4
281.23889	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01859	5.8
56.15048	1.5
56.96557	7.3
57.03446	9.6
60.94589	1.5
61.02933	7.6
68.48178	1.6
69.03433	25.9
69.12025	1.6
70.35749	6.0
73.02921	12.1
74.00285	1.6
81.03401	5.6
82.63421	1.5
85.02426	2.9
85.02911	42.4
87.04454	4.8
89.00787	3.6
91.56007	1.5
95.00742	1.9
97.02900	20.1
98.01315	7.8
98.97592	52.2
99.04451	3.7
99.97873	2.4
101.00813	1.8
102.01550	2.9
104.01291	2.2
104.10738	5.5
107.01816	4.3
109.02911	2.6
110.01267	3.6
110.97556	4.2
111.02053	6.4
115.03967	2.2
116.98622	12.0
119.01835	7.4
120.02582	12.0
120.08118	1.7
124.99155	4.6
125.01765	2.9
127.03944	13.7
128.98619	3.9
129.03116	18.8
131.00200	2.8
131.01810	3.5
134.02313	2.9
138.02631	2.3
140.02335	2.0
141.03110	8.3
143.00198	6.3
145.04956	6.6
147.03081	4.1
149.01216	2.2
150.03719	2.5
150.07767	90.0
153.03101	9.2
156.03636	14.0
158.99673	11.7
161.01205	8.1
161.02728	2.2
162.03638	5.9
168.03613	1.8
170.99736	2.0
171.04121	5.9
173.01321	1.8
177.00737	4.1
179.02271	8.9
183.04095	8.1
189.00725	2.2
191.02310	1.7
191.03862	2.0
192.04671	76.3
192.54932	3.2
197.03392	2.5
200.04427	2.4
200.54601	1.7
201.05214	100.0
201.55435	5.4
212.56042	2.5
218.08015	2.6
221.03381	13.3
223.06688	2.2
239.04402	46.1
240.04678	4.9
257.05487	7.2
264.14398	6.0
265.40121	1.6
273.07358	2.1
281.05457	38.3
282.04907	29.7
282.07736	3.7
282.12338	5.2
282.15494	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	282.0974
Annotation	Fenitropan
Peak:m/z	Relative Intensity
51.85881	0.3
53.03926	0.3
56.96551	0.4
65.03921	0.6
65.47964	0.3
68.04997	1.0
69.03414	0.7
69.64610	0.2
70.06576	0.4
71.57299	0.3
71.57632	0.3
72.04485	0.2
72.08134	1.2
79.05498	2.1
80.04993	0.3
81.03412	0.4
84.08147	1.4
85.02899	0.4
86.09683	0.5
89.92490	0.2
91.05478	1.4
92.05000	0.6
93.07021	0.3
94.02930	0.3
95.04954	0.3
95.08656	0.2
97.02873	0.6
98.97588	1.4
102.96826	0.2
103.05438	0.4
104.04974	1.0
105.07006	0.3
106.06561	4.4
107.04981	1.3
107.07301	0.8
108.04465	0.4
109.02866	1.1
110.06029	0.5
112.11221	1.2
116.04990	0.5
116.98592	0.4
117.05710	0.4
119.04910	0.8
120.04434	1.0
120.08095	0.6
121.02843	1.1
121.06468	0.9
121.08884	1.2
122.06049	1.2
122.09662	0.5
123.04458	0.4
124.90362	0.3
131.04919	0.5
132.04451	1.4
132.08072	0.5
133.05214	0.6
134.06026	7.8
134.09674	0.3
135.04420	0.6
136.03934	0.4
137.05984	2.5
137.08298	0.3
144.04460	2.6
146.05933	0.3
146.15685	0.3
148.03856	0.4
148.07558	1.2
150.05479	1.3
150.09128	2.1
151.06314	0.5
151.09956	0.3
152.07069	0.8
160.03944	5.8
162.05511	17.9
163.03804	0.5
164.03416	0.4
164.06964	0.4
165.05544	0.3
165.07848	0.5
166.05069	0.3
166.08664	1.9
176.07045	2.1
177.00723	0.3
177.07932	0.4
178.05017	3.4
178.08643	1.9
180.06549	0.4
188.07080	0.9
191.05798	1.4
192.06526	3.6
194.08141	26.6
195.08980	0.3
204.06602	2.4
206.04482	1.2
206.08159	3.3
210.07603	1.3
210.11191	0.6
218.08179	0.3
220.06134	0.5
220.09746	2.2
222.07611	5.0
223.08452	0.6
227.07909	0.5
230.36504	0.3
236.09190	11.9
238.07375	1.2
238.10747	42.4
240.08592	0.4
250.07159	4.8
252.25082	0.3
264.08688	1.4
282.09729	100.0
282.22125	1.0
283.09930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.12
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
52.01721	0.2
55.01868	0.3
57.03429	0.6
59.04995	0.8
61.02928	0.2
62.06080	0.3
63.95686	0.2
65.58024	0.2
67.03009	0.2
69.03436	1.9
69.54738	1.0
69.55170	0.3
70.06585	0.3
71.01363	0.3
71.04971	0.2
75.04486	0.3
81.04534	0.2
82.04873	0.2
82.05309	0.2
85.02905	1.1
85.06572	0.2
87.04472	3.3
91.05487	0.3
94.04063	0.5
97.02898	0.6
98.06074	1.8
98.97591	0.7
101.06042	1.2
104.62077	0.2
107.04945	0.3
108.77662	0.2
109.66283	0.2
115.03944	0.2
118.06498	0.2
119.03574	1.0
119.04958	0.2
120.08107	0.3
121.02937	0.2
121.06503	0.6
122.07086	0.3
123.08029	1.2
123.49431	0.2
124.08323	1.2
127.03905	0.2
134.09714	0.3
136.06195	100.0
137.04607	0.5
146.06017	0.8
147.06581	0.5
150.07774	0.8
152.10638	0.2
163.03905	0.4
164.07077	0.5
176.07813	0.2
178.08641	1.5
192.04587	0.2
194.08344	0.2
196.09705	2.5
226.14354	0.2
236.09149	0.3
238.10757	0.2
239.04495	0.4
264.09549	0.4
264.12317	0.2
282.13321	4.5
282.17029	7.5
282.22101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1338
Annotation	Harzianopyridone
Peak:m/z	Relative Intensity
60.04542	1.3
64.84679	0.3
70.02946	0.5
71.55882	0.6
79.05492	0.5
84.08133	0.5
88.04009	5.3
91.05489	1.6
93.07063	0.4
98.62360	0.4
98.97580	0.5
102.05556	11.3
106.06586	0.8
107.04965	11.6
109.06541	0.4
117.05760	2.1
117.07049	0.5
118.06556	5.1
120.04491	0.5
120.08140	0.5
121.06519	1.6
122.06862	1.3
130.06567	1.2
134.06075	0.6
134.09683	1.1
136.07605	0.6
144.08080	2.7
145.02820	0.5
145.08870	0.4
146.06018	17.5
148.06055	7.4
152.07004	0.5
158.06020	2.7
164.07109	0.5
169.26389	0.4
177.05522	1.6
178.08653	21.6
182.08124	0.5
186.05505	1.3
188.17659	0.4
190.08649	8.6
204.07442	0.4
204.10229	1.1
205.10750	0.5
208.09666	0.9
209.01392	0.4
210.11269	0.5
218.08163	14.7
220.09706	0.6
224.09088	0.4
226.00154	0.4
235.08182	0.5
236.09186	1.8
237.09856	1.0
238.10832	0.5
250.10780	69.2
251.11545	0.4
252.08746	3.1
252.12216	0.5
264.08963	0.5
282.13379	100.0
283.13873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14946	0.3
69.71256	1.3
71.20232	0.2
73.09813	0.2
73.48841	0.3
83.57245	0.2
84.08134	0.5
87.04462	0.3
92.57934	0.2
93.07042	0.5
104.04970	0.3
120.08098	0.9
121.06521	1.4
122.06048	0.3
122.06845	0.4
132.04446	0.9
134.39336	0.3
156.82610	0.2
164.07082	30.6
165.07495	0.3
166.08684	1.0
176.07036	0.3
189.49783	0.2
190.08678	0.3
196.09671	0.5
206.08174	0.3
208.09706	100.0
209.10466	2.6
213.06250	0.3
238.18051	1.1
240.12404	2.3
250.10730	0.9
282.10126	0.4
282.13293	3.2
282.20657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1339
Annotation	Mortivinacin C
Peak:m/z	Relative Intensity
60.18663	0.6
65.03913	0.8
70.38936	1.6
70.39296	1.4
70.74783	0.7
79.05507	4.1
79.39347	0.6
88.04015	1.4
91.05489	1.5
92.05867	0.8
93.03397	1.8
102.05553	2.4
103.05449	0.9
106.06563	8.6
107.04944	2.5
111.05332	0.6
121.06505	1.6
130.06534	16.0
131.07309	3.0
134.06018	15.1
136.06189	2.4
147.04449	1.1
148.06039	0.9
148.07578	0.8
149.04924	0.9
158.06023	56.6
162.05505	1.6
163.03947	2.2
175.06161	1.0
176.07112	1.4
178.08710	1.5
186.05507	26.1
190.08636	100.0
192.06564	1.2
194.08267	0.8
218.08141	59.4
220.06134	0.9
236.09312	1.2
238.09886	1.1
243.80019	0.6
244.64401	0.7
250.10757	69.4
282.09946	4.0
282.13364	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1339
Annotation	Mortivinacin C
Peak:m/z	Relative Intensity
54.31976	0.4
69.03418	0.9
70.06583	0.5
71.35787	0.7
85.02903	1.2
87.04475	38.4
91.05478	1.6
92.05817	0.5
93.07006	0.6
97.02901	2.1
98.03239	1.3
98.97589	1.5
107.04943	0.7
117.36256	0.4
118.06559	3.4
120.08112	0.6
121.06522	1.7
122.06854	0.8
123.04465	1.0
124.04748	0.6
130.07353	0.5
134.09676	1.6
136.06183	7.6
136.07587	1.2
137.05991	1.4
138.06329	1.0
144.08894	0.7
146.06007	12.3
147.04332	0.7
148.07614	0.5
150.06650	0.8
150.07756	4.5
158.06825	0.8
161.06030	0.6
162.06366	0.7
164.07074	6.5
165.05469	0.5
167.06886	0.5
174.06197	0.5
176.07869	1.1
178.08650	31.0
187.54503	0.6
192.07397	0.9
196.09717	43.2
218.09001	0.6
228.07338	0.6
246.08421	2.4
264.09604	2.8
282.13391	100.0
282.22107	1.5
283.13974	0.5
288.35312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01876	2.1
55.05508	1.1
56.96566	3.9
57.03440	7.3
57.07067	1.1
60.04539	1.2
61.02932	14.3
69.03432	21.0
70.10201	1.3
70.10544	3.8
71.04993	3.8
73.02923	10.3
78.41445	0.9
81.03423	11.5
83.04988	1.8
85.02910	100.0
85.06546	26.5
87.04485	4.6
91.03960	9.7
91.05449	1.1
93.07022	1.2
97.02897	24.3
98.06097	1.2
98.20863	1.0
98.97586	30.0
99.04459	5.9
99.97915	2.4
103.05473	1.4
103.07574	1.8
107.04935	1.2
109.02888	8.9
110.97600	2.5
112.99101	1.3
115.03925	2.6
116.98650	6.0
119.01816	1.7
120.02582	2.4
120.08064	1.2
121.06472	1.7
124.99096	2.1
127.03921	27.1
128.98616	1.9
129.03082	1.8
131.00185	2.7
131.04933	3.1
134.99663	1.1
137.05966	2.6
141.03094	1.3
143.00186	2.1
145.04967	54.1
149.01247	1.1
150.07762	2.3
151.07573	1.1
152.06929	1.0
153.07074	1.4
156.03465	1.5
158.99684	3.0
161.01227	3.1
163.03905	4.0
163.06044	15.7
163.07419	1.9
164.07039	0.9
170.80742	0.9
177.00722	2.4
179.02277	3.0
180.02562	1.0
180.08736	1.4
183.04274	1.1
186.04457	1.7
192.04700	11.8
192.55045	1.1
193.03201	2.0
197.03287	1.3
201.05215	12.1
209.55914	0.9
219.01816	1.2
221.03391	4.1
229.10724	6.3
238.10822	1.0
239.04396	13.0
240.04727	4.0
257.05508	1.8
272.40445	1.0
281.05466	2.4
282.05710	3.2
282.09940	3.6
282.13443	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	282.1702
Annotation	Naramycin B
Peak:m/z	Relative Intensity
54.82467	0.3
55.01875	0.8
55.05515	0.4
56.96564	1.3
57.03444	2.8
57.07063	1.0
57.92546	0.4
59.47596	0.3
61.02918	1.0
67.05516	0.5
68.05023	1.1
69.03437	2.5
69.07075	0.5
70.06588	0.8
71.04990	0.4
71.08624	0.3
71.58046	0.5
73.02945	0.7
79.05492	0.4
81.03413	1.1
81.07055	0.4
83.21775	0.3
84.08110	0.3
85.02915	6.1
85.06548	4.0
87.04459	0.9
91.05480	0.9
93.07049	0.9
97.02892	2.4
98.06062	28.2
98.97577	2.9
99.04533	0.4
99.06824	1.0
103.07590	14.3
109.02859	0.9
110.97589	0.8
111.04469	0.5
115.03936	0.3
116.98604	1.0
119.03561	0.9
119.08556	0.4
120.08112	0.7
121.02889	0.5
121.10207	0.6
123.07950	0.7
124.08325	0.6
125.07118	0.6
127.03906	1.1
128.98619	0.4
131.04904	0.7
133.06461	0.3
134.09648	0.9
135.04416	0.5
136.06197	45.0
136.77956	0.3
137.05954	2.1
145.04996	1.9
152.07101	0.5
158.99663	0.6
163.07524	0.4
164.50156	0.3
177.00697	0.6
177.05405	0.4
178.08630	0.4
189.00726	0.4
194.08092	0.5
195.11319	2.1
196.09755	0.5
200.55333	0.5
212.09288	0.4
222.07390	0.4
226.14368	2.5
237.02687	0.4
238.10786	0.7
239.04300	0.5
240.04808	0.4
253.08627	0.5
264.09335	0.5
264.12173	0.4
264.15952	0.6
282.16995	100.0
283.17432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37366	0.5
57.14870	0.6
65.03945	2.8
69.25427	5.3
69.25767	0.6
79.05495	2.0
93.03419	5.9
107.04978	1.0
111.04430	0.8
117.03380	1.3
120.40217	0.6
121.02872	18.5
123.00782	0.8
126.58440	0.6
132.33286	0.6
135.04399	3.8
139.03883	1.3
145.02756	1.2
149.02351	22.1
151.03787	1.2
153.05476	11.2
163.03911	9.5
167.02003	0.7
167.03423	24.6
181.04967	100.0
191.03419	17.4
191.04826	0.4
195.07985	0.6
209.04468	16.9
219.96146	0.6
223.06030	57.6
224.06322	0.8
240.08067	0.7
264.96506	0.5
283.06320	1.1
283.09668	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30153	1.0
51.66718	0.8
55.05513	2.6
57.07068	2.0
65.03950	5.2
65.22242	0.9
66.23849	1.0
67.05504	3.3
67.42706	0.9
69.03423	2.2
69.07071	3.3
71.04999	1.1
71.12563	2.0
79.05505	3.8
81.07061	4.1
83.04994	2.2
83.08638	1.7
85.02924	1.3
91.05484	2.0
93.03410	10.8
93.07059	2.7
95.01337	2.8
95.08604	5.8
97.02892	3.3
97.06501	1.3
103.03974	2.0
103.05500	1.2
105.07049	1.4
107.04974	4.0
107.08557	1.3
109.10160	2.3
111.04445	11.4
115.13102	0.9
121.01995	2.1
121.02873	39.9
121.06556	1.2
121.10145	1.4
123.00796	9.7
123.11713	1.8
135.04425	5.9
135.11652	1.2
137.05989	1.9
137.13264	1.3
137.30623	1.0
139.03902	5.8
145.02762	1.5
149.02348	55.0
151.03908	2.6
151.07550	1.1
152.06166	1.4
153.05473	17.3
155.03450	2.8
163.03928	13.3
163.07559	2.2
163.14766	1.3
165.07071	1.6
167.03403	34.5
167.08647	1.4
168.52722	1.0
175.07469	1.0
181.04967	100.0
191.03403	27.9
195.06516	1.0
195.08112	3.3
197.05846	1.3
199.05957	0.9
205.04973	2.7
209.04469	24.9
209.09586	1.2
218.90410	1.0
223.05986	56.5
240.07919	1.9
241.07002	1.4
245.18135	1.0
247.24295	1.3
255.10176	2.0
269.08112	1.2
283.09546	11.9
283.15005	1.0
283.26532	1.6
286.81277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.4
53.03960	0.5
55.05503	0.7
57.76342	0.4
65.03943	8.6
67.05512	1.6
69.03421	2.4
69.44959	3.4
71.01374	0.8
77.21227	0.4
79.05496	6.2
79.10232	0.4
81.03427	1.5
81.07067	1.5
81.44854	0.4
83.04977	4.6
88.68116	0.5
91.05506	1.1
93.03410	23.0
94.54707	0.4
95.01335	4.9
95.04956	1.6
97.02915	3.4
97.06526	0.6
103.03951	1.5
105.73084	0.5
107.04966	5.5
111.04449	21.0
113.02347	0.7
119.04957	0.9
121.02872	62.1
123.00795	15.2
125.06009	0.9
127.03880	0.7
135.04424	6.6
137.06027	0.8
138.19937	0.4
139.02817	0.6
139.03902	9.8
141.01833	3.0
142.05760	0.4
145.02878	0.8
147.04382	0.6
149.02348	100.0
153.05484	10.6
155.03407	5.6
163.03900	7.9
167.03409	30.8
173.02434	0.5
177.05403	0.5
181.04964	35.6
191.03395	16.5
199.06049	1.8
205.05025	2.2
209.04459	61.4
223.06026	10.2
227.05519	6.3
241.07086	4.1
245.60295	0.5
283.08197	1.5
288.28461	0.5
299.12714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80618	0.4
51.93040	0.4
52.85607	0.4
53.00319	1.4
53.03945	0.9
55.05516	0.8
57.07088	0.6
65.03948	8.5
67.05513	1.0
69.03430	2.8
70.16477	0.4
71.19352	1.0
79.05505	6.2
81.03432	1.6
81.07054	1.9
83.04986	3.8
85.06550	0.8
91.05477	0.9
93.03413	21.6
94.04242	0.6
95.01321	4.9
95.04987	1.7
95.08617	0.8
97.02877	3.5
97.06571	0.9
103.03952	1.4
107.04973	4.8
109.10147	0.7
111.04449	20.3
119.04946	0.7
121.02878	60.2
123.00798	12.8
135.04434	7.2
139.03905	9.5
141.01859	3.5
149.02353	100.0
153.05478	9.6
155.03416	5.4
163.03928	7.3
167.03419	28.1
177.05446	0.8
181.04965	34.0
191.03407	17.2
195.06509	0.6
199.06044	1.8
205.04959	1.8
209.04465	62.5
223.06020	9.6
227.05536	6.2
241.06967	2.4
257.18582	0.5
283.08063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.8
66.30419	0.9
70.06590	2.9
70.68763	1.6
70.69099	1.0
79.05495	1.6
81.03442	0.8
88.67822	0.7
91.05512	1.1
93.03404	6.3
95.04936	0.9
97.02917	2.2
106.83856	0.8
107.04932	1.7
111.04450	1.2
112.07574	2.5
121.01997	1.6
121.02877	29.3
123.00827	1.3
135.04472	4.0
137.05946	1.0
139.03888	2.6
140.07036	1.5
145.02855	1.0
149.02350	30.3
151.03917	2.7
153.05466	11.9
163.03951	7.1
167.02017	1.0
167.03409	21.4
177.66942	0.9
181.04968	100.0
191.03387	19.3
194.63127	1.0
205.04909	1.2
209.04454	14.9
223.06023	48.7
224.06268	0.9
240.07800	1.0
283.09686	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	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.4
53.03947	0.9
55.05506	1.1
56.61665	0.5
57.07080	0.7
60.10778	0.5
65.03944	10.1
67.05490	2.2
68.00237	0.5
69.03418	2.8
69.07081	0.9
69.35700	4.4
71.01331	0.8
71.04974	0.7
72.83762	0.5
77.03951	0.7
79.05057	0.7
79.05495	7.5
81.03390	1.3
81.07076	2.6
83.04984	4.0
83.08614	1.2
91.05515	1.2
93.03409	24.1
95.01334	6.0
95.04967	1.9
95.08605	1.8
97.02899	4.2
97.06534	1.0
103.03944	1.9
107.04958	6.0
107.08572	0.5
109.06535	0.6
111.04445	20.9
113.02400	0.7
119.04929	1.1
121.02875	69.0
123.00795	13.9
125.06075	0.7
127.03927	0.6
135.04425	8.1
135.11723	0.7
139.03920	10.0
140.83861	0.6
141.01848	4.3
145.02808	0.9
149.02350	100.0
153.05476	10.3
153.06548	0.4
155.03415	5.5
161.48849	0.5
163.03934	8.0
167.03416	39.6
177.05385	0.6
181.04965	45.8
191.01654	1.2
191.03397	20.0
195.06532	0.8
199.06070	2.7
205.05016	1.7
209.04466	61.4
223.06024	16.1
227.05492	9.7
241.07109	4.4
245.06636	0.8
249.81694	0.7
265.08615	0.5
283.08008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01871	5.9
55.05514	4.8
56.96532	2.8
57.03428	9.6
64.12218	2.4
65.03948	3.6
67.05524	3.7
69.03432	100.0
70.06596	8.6
71.05020	3.5
71.57924	2.9
79.05500	8.4
81.03417	6.2
81.07060	2.2
82.27145	2.1
83.04997	3.3
84.08170	2.4
85.02921	13.4
87.04446	5.6
91.05496	16.7
93.07041	9.0
95.04976	5.2
95.08602	4.1
97.02914	7.0
98.89184	2.2
101.72139	2.5
103.05475	16.6
105.07034	39.1
107.04961	5.2
107.08607	2.8
109.02890	4.3
109.06512	5.0
111.04440	4.9
115.05461	20.4
117.07016	9.1
119.04954	10.0
119.08565	6.8
121.02872	38.4
121.06500	17.8
123.04416	5.1
127.03985	2.8
128.06224	6.5
129.06967	17.7
131.04939	20.4
131.08589	3.4
133.06500	34.8
135.04381	3.2
135.08080	3.4
137.05981	24.7
139.03922	5.5
141.07007	6.3
143.04935	16.0
143.08582	3.0
144.05780	2.6
145.06525	12.4
145.10095	5.8
147.04440	16.1
147.08096	7.0
149.05986	39.6
149.09673	6.8
151.03914	10.8
151.06451	2.0
151.07539	53.1
153.07054	3.4
155.08562	9.9
157.06499	14.8
159.04410	3.2
159.08099	4.9
161.05989	80.2
163.03918	4.3
163.07541	13.8
163.11246	5.1
165.05489	39.0
165.06870	5.0
167.07057	17.5
169.06483	4.6
171.04472	2.9
171.07985	2.8
173.06023	12.5
173.09622	9.2
175.07518	18.8
177.05452	9.8
177.09102	8.9
179.07043	77.2
181.04980	9.4
183.08080	12.2
185.06013	9.5
187.07518	13.8
187.11209	2.9
189.05475	27.9
189.09067	11.4
191.07031	29.1
191.10709	5.5
193.06619	2.9
193.08640	3.6
195.06548	11.4
195.08450	7.5
201.09161	14.9
203.07059	27.3
205.08682	10.3
207.06526	10.3
209.08084	6.3
211.07634	7.1
219.10216	20.7
221.08102	9.7
229.08615	42.0
237.09413	3.4
239.11124	12.5
240.07884	8.2
247.09688	66.4
247.13376	6.7
251.07242	3.3
253.10626	3.4
255.10574	2.8
265.06854	13.3
265.10703	9.0
265.14505	3.8
268.07425	5.4
274.11465	2.2
283.09995	39.1
283.15347	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01863	2.8
55.05511	4.5
56.96563	3.2
59.43441	1.6
65.03945	2.9
67.05504	11.7
69.03419	5.2
69.07070	11.6
71.04986	2.8
71.56281	2.9
79.05505	20.5
79.83523	1.7
81.03408	2.6
81.07069	19.1
83.04963	6.0
83.08646	2.6
91.05482	9.4
93.03400	5.8
93.07055	16.9
95.04994	8.6
95.08611	12.7
97.02919	7.1
97.06539	7.0
98.97575	7.5
99.08077	4.9
103.05439	2.5
105.07037	19.8
107.04955	13.5
107.08602	12.4
109.06535	10.0
109.10139	2.9
111.04448	5.1
111.08051	2.1
116.98610	2.4
117.07000	7.2
119.04958	2.2
119.08598	8.2
121.02882	16.7
121.06515	17.9
121.10131	5.6
123.00732	4.8
123.11742	2.1
125.05990	4.3
125.09610	3.0
128.87822	1.7
130.07748	2.0
131.08574	6.8
133.06496	5.5
133.10107	5.8
135.04425	3.9
135.08054	4.7
135.11687	4.3
136.07732	2.1
137.05965	5.7
139.07535	2.4
143.07083	2.1
143.08635	2.4
145.10132	32.1
147.08104	2.9
147.11700	14.8
148.08862	2.0
149.02350	25.7
149.09612	3.2
151.11168	2.8
155.07155	2.7
159.08125	2.2
159.11696	7.0
161.13216	2.7
163.03966	2.2
163.11191	100.0
164.06956	2.4
167.03400	11.3
169.10068	2.3
171.11726	2.1
173.09627	16.6
181.04985	10.2
187.11163	12.0
189.12730	5.9
191.03407	5.0
191.10689	22.5
195.11740	2.0
199.14746	2.1
205.12355	8.6
209.04453	12.9
209.11671	3.2
213.06001	1.7
215.10657	7.5
223.05962	3.0
223.13040	1.9
227.05522	2.3
233.11745	22.5
242.08028	5.1
247.13474	2.1
251.12955	2.1
265.14346	2.3
283.20526	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1906
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
51.53537	3.1
53.03937	5.6
55.01869	17.7
55.05516	34.1
56.96557	10.4
57.03443	33.7
57.07068	9.4
57.31308	3.3
67.05512	61.5
68.99803	3.1
69.06728	3.4
69.07074	42.4
70.91776	3.5
71.04994	7.8
71.56799	5.5
79.05499	36.4
81.03403	6.2
81.07061	77.2
83.01361	6.5
83.04981	12.9
83.08623	15.8
85.06509	5.7
87.00832	7.4
91.05499	24.6
93.07061	37.4
95.04946	16.2
95.08620	66.3
97.06546	39.1
97.10188	18.1
98.97576	7.8
99.00800	19.1
99.08097	11.5
105.07042	21.8
107.04931	4.3
107.08598	38.6
109.02852	5.7
109.06527	9.8
109.10169	28.5
111.04439	10.6
111.08095	9.0
116.98624	4.2
117.07008	6.3
119.08616	22.7
121.02864	4.0
121.06543	7.7
121.10154	38.0
123.04461	18.6
123.08089	10.5
123.11710	13.3
125.05978	17.2
125.09653	20.6
131.08598	7.5
133.10114	30.0
135.11693	20.4
137.09619	12.2
137.13245	4.1
139.11174	9.7
141.05481	28.4
141.09090	4.1
143.08649	5.6
145.10126	12.9
147.11664	6.6
149.09651	6.0
149.13220	11.9
151.07617	3.3
151.11179	7.5
159.06476	7.0
159.11691	5.0
159.31772	3.6
161.09650	10.8
161.13324	3.2
163.11223	6.7
165.09013	4.3
167.10698	23.0
171.11638	4.0
173.13304	8.5
175.14824	5.4
179.09134	2.8
179.10603	20.4
183.10202	10.5
185.08113	9.5
185.11771	61.6
185.13284	5.9
193.15880	7.3
195.11642	3.4
197.11723	7.4
199.14850	7.5
200.44086	3.4
203.14301	4.4
215.18001	7.0
221.15424	48.5
223.16986	7.4
233.19016	6.8
239.16464	91.9
247.16986	3.6
251.20038	14.2
265.18060	17.5
283.09674	12.7
283.18985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.04199	0.3
55.05502	1.6
57.07070	0.8
67.05495	1.9
69.07080	2.3
71.05318	0.3
71.58514	0.3
79.05492	1.1
79.08522	0.3
81.07069	1.5
83.04986	0.3
83.08624	0.6
84.96059	0.3
91.05468	1.9
93.07056	1.5
95.04991	0.5
95.08623	2.0
97.06541	0.8
97.10162	0.6
98.97598	0.5
105.07040	3.5
107.08619	1.9
109.06511	0.4
109.10162	1.4
111.08104	0.5
115.05459	0.6
117.07025	1.1
119.08595	4.3
121.02848	0.4
121.10167	1.5
123.08010	0.4
123.11737	0.4
128.06236	0.3
129.06998	0.5
130.07779	0.8
131.08566	2.7
132.09346	0.4
133.10141	4.4
135.11676	0.3
136.52919	0.3
141.07056	0.3
142.07770	0.4
143.08569	1.1
144.09354	0.8
145.10121	4.0
146.10938	1.1
147.11696	100.0
148.12057	0.6
149.02361	0.3
149.09703	0.3
151.11131	0.3
155.08585	0.8
156.09348	1.6
157.10123	2.2
158.10931	0.5
159.11700	4.1
161.13258	1.6
167.03529	0.3
167.08611	0.4
169.10147	1.1
170.10902	2.5
171.11720	3.9
172.12450	0.7
173.13312	1.8
175.11250	0.3
182.10918	1.3
183.11684	1.4
184.12445	0.6
185.13280	7.5
187.14868	1.1
195.11690	0.6
196.12502	0.4
197.13298	3.5
198.14030	0.4
199.14835	1.8
209.04437	0.5
209.13306	0.7
213.12753	0.7
213.16397	1.1
221.13332	0.3
223.14856	0.6
225.16371	0.5
227.14346	0.4
235.14906	0.5
237.16464	0.4
241.16072	0.3
250.17181	0.5
255.21106	0.8
265.19507	0.8
283.20590	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	283.2059
Annotation	11Z-6s-trans-fixed bicyclic retinal
Peak:m/z	Relative Intensity
51.10960	2.1
52.84452	2.0
53.03949	4.8
55.01870	3.2
55.05525	10.6
56.96551	7.3
57.07065	4.0
59.62044	2.1
67.05511	17.8
69.03400	2.4
69.07072	13.8
69.19373	10.2
69.19799	10.6
69.47202	2.0
71.08616	1.8
73.13970	2.2
79.05505	18.6
80.17389	2.1
81.07063	26.3
83.04988	11.0
83.08602	5.3
85.06525	3.4
86.64297	2.3
91.04971	3.2
91.05494	49.2
93.07051	43.8
95.04974	5.2
95.08620	22.6
97.06529	4.8
98.21110	11.2
98.97575	4.6
103.05477	5.1
105.07039	43.4
107.04939	4.1
107.08590	19.5
109.06488	3.3
109.10134	12.8
111.04469	2.4
116.98608	1.9
117.07026	16.5
119.04964	2.6
119.08591	100.0
121.06519	36.8
121.10160	14.8
122.07264	3.7
123.08068	4.9
123.11701	4.5
125.09619	4.9
129.06970	3.0
130.07816	5.3
131.08569	16.2
133.06430	3.0
133.10120	7.2
135.08032	7.0
135.11668	7.9
137.09656	11.7
142.07761	6.1
143.08553	7.9
144.09335	2.2
145.09038	3.8
145.10133	62.0
146.10924	14.9
147.07976	4.7
147.11708	27.2
149.09619	3.0
149.13263	2.2
151.11182	5.0
155.08516	3.5
156.09291	3.9
157.10167	15.1
159.11720	11.1
161.09660	3.8
161.13318	3.1
163.11166	3.2
169.10158	2.3
170.10950	2.4
171.11684	6.7
173.09592	2.8
173.13231	4.7
175.14716	2.1
177.12772	2.6
183.11668	2.7
185.09618	5.7
185.13286	5.3
188.05991	2.0
189.12727	5.9
191.14307	2.4
193.10135	2.8
195.03358	2.0
195.11710	6.0
197.13289	2.3
199.11189	11.2
199.14836	28.6
203.14252	4.4
209.13264	10.0
223.14914	2.3
225.16463	4.5
227.14352	15.1
233.15543	2.4
265.19470	8.2
283.20541	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	283.2059
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03944	3.3
55.01868	1.8
55.05509	6.5
56.96575	1.7
57.07074	2.2
65.03945	1.5
67.05511	9.8
69.03424	3.2
69.07075	6.4
71.57339	1.1
77.69450	0.8
79.05502	15.0
80.42332	1.0
81.07065	18.8
83.04984	6.9
83.08614	3.4
85.06557	1.0
89.06023	1.1
91.05492	46.7
93.07053	35.2
95.04978	4.5
95.08609	10.8
96.49849	1.0
97.06535	3.0
97.10178	2.5
98.97569	2.2
103.05487	2.2
104.06233	2.0
105.07043	38.5
107.04949	2.4
107.08598	14.3
109.06516	1.4
109.10163	9.5
111.08072	1.6
115.05444	2.4
117.07043	14.0
118.19926	0.9
118.44444	0.9
119.04958	1.8
119.08592	100.0
121.06520	29.4
121.10161	13.6
122.07310	1.9
123.08070	2.4
123.11731	1.7
125.09632	5.3
128.06235	1.4
129.07028	2.9
130.07788	3.9
131.08575	12.6
133.06445	2.3
133.10150	8.4
135.08104	4.9
135.11685	4.6
137.09621	13.8
139.11145	1.6
142.07825	4.5
143.08586	10.7
145.10138	56.3
146.10930	14.7
147.08046	3.9
147.11702	26.9
149.09605	1.9
151.11185	6.6
155.08569	1.8
156.09354	3.3
157.10147	15.7
159.08020	1.7
159.11725	9.4
161.09627	3.1
161.13237	2.1
163.11166	2.7
167.08629	1.2
169.10149	2.2
170.10925	2.3
171.08038	2.5
171.11647	7.5
172.08885	2.3
173.09639	2.1
173.13258	4.7
175.11183	2.2
175.14841	1.4
177.12744	3.0
179.08588	2.8
181.10176	2.8
183.11720	1.7
184.12595	1.2
185.09634	3.9
185.13286	2.6
189.12758	8.2
191.14319	1.2
194.10963	2.4
195.11665	2.8
197.09537	1.3
197.13268	1.9
199.07275	1.0
199.11217	15.4
199.14822	25.1
199.16573	1.6
203.14316	4.4
209.13313	7.4
210.14107	1.4
211.14839	1.1
212.11829	1.4
213.12733	1.4
223.14758	2.0
225.16353	5.2
227.14346	11.1
241.15947	1.5
241.19530	2.3
250.68518	1.0
251.20030	2.0
265.19598	6.0
283.20596	76.9
284.29462	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	283.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80407	1.1
53.03944	3.0
55.01860	1.4
55.05515	21.4
55.91345	1.2
57.03432	2.1
57.07070	1.7
65.03944	2.0
67.05508	89.5
69.03432	1.9
69.06722	1.7
69.07069	20.2
70.56364	3.5
71.04992	4.5
79.05498	39.4
81.07061	100.0
83.04974	3.5
83.08626	20.7
85.06551	6.1
89.05997	1.8
91.05487	30.4
92.37473	1.3
93.07051	48.4
95.04964	4.6
95.08612	92.6
97.06535	17.5
97.10178	8.1
98.97528	1.9
99.08086	4.1
105.07034	18.3
107.08601	31.1
109.06505	3.4
109.10166	42.2
109.10928	2.5
111.08087	11.7
117.07017	4.5
119.08597	18.5
121.06534	2.2
121.10153	41.5
123.08090	2.6
123.11735	16.8
125.09616	2.7
131.08580	13.4
133.10138	37.3
135.11700	26.2
137.09631	9.6
137.13257	4.7
138.05490	1.7
139.11188	1.7
143.08583	3.6
145.10143	11.2
147.11687	8.3
149.09700	1.7
149.13281	14.8
151.11172	12.6
157.10139	3.5
159.11684	6.5
161.09610	1.9
161.13330	1.6
163.11186	1.4
163.14844	1.6
165.12755	3.3
169.12309	1.9
171.11748	3.0
173.11887	2.2
173.13269	16.3
175.14729	1.5
182.11009	1.2
183.11731	2.0
185.13191	1.8
187.14838	4.5
191.14340	4.9
191.17903	1.9
195.11548	1.8
195.13780	2.0
197.13268	8.8
199.14966	1.6
209.13306	1.8
214.77185	1.2
215.17990	28.8
227.14175	1.6
233.19008	13.2
251.20082	34.1
251.22717	1.6
265.19516	3.4
283.20459	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	283.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20835	0.9
53.00309	1.2
53.03940	2.4
55.05267	1.2
55.05518	12.8
56.95111	1.0
57.03445	1.4
57.07075	2.7
65.03943	9.0
67.05510	41.4
69.03427	2.9
69.06720	1.2
69.07072	16.7
71.05002	9.6
71.08626	1.3
71.48360	1.5
71.48701	1.3
78.15063	1.0
79.05121	1.3
79.05508	15.7
81.03442	1.6
81.06581	1.6
81.07066	49.0
83.04991	4.9
83.08624	8.0
85.06541	4.0
91.05499	7.5
93.03419	21.5
93.07053	14.1
95.01322	5.2
95.04970	3.1
95.08615	89.5
97.02882	3.0
97.06541	1.9
97.10166	5.3
98.97561	1.0
99.08064	3.0
103.03930	1.9
103.35249	1.0
105.07019	4.5
107.04970	4.4
107.08607	9.4
109.06510	2.4
109.10163	21.2
111.04450	20.8
111.08097	1.4
111.11721	2.6
113.09657	22.5
117.07033	2.1
119.04995	1.7
119.08570	8.2
121.02876	64.0
121.06538	3.0
121.10143	10.9
123.00809	13.2
123.11727	9.6
127.03889	1.0
130.87355	1.0
131.08595	1.8
133.10121	1.0
135.04427	6.8
135.11685	6.5
137.08606	1.0
137.09605	1.5
137.13280	4.1
139.03905	10.3
141.01842	2.6
143.08556	2.2
145.10161	7.4
147.11717	2.1
149.02354	100.0
149.13248	4.1
149.39813	0.9
150.02663	1.3
151.14847	3.1
153.05479	9.8
155.03415	5.8
157.10072	1.7
159.11772	1.8
163.03917	7.0
163.14833	4.4
165.16434	1.6
167.03419	31.5
167.85036	1.0
177.16418	1.9
181.04971	35.6
182.05327	1.2
187.11188	1.1
191.03424	16.2
191.10626	1.0
191.17882	1.3
199.05968	2.6
199.11172	1.7
199.14885	2.2
205.05013	1.6
205.12193	1.4
209.04468	60.8
209.13290	1.3
215.10741	1.5
223.05989	9.8
227.05545	6.7
241.07051	2.9
247.24242	3.4
265.25317	7.4
283.20618	8.0
283.26361	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	283.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
53.41878	0.8
55.01873	1.1
55.05511	13.6
56.96564	2.2
57.03436	2.9
57.07068	3.3
65.03933	3.5
65.53674	0.8
67.05505	46.5
69.03434	3.4
69.07069	19.7
71.04993	12.7
71.08636	1.2
71.57798	1.2
72.45942	0.8
79.05492	12.4
81.03435	1.9
81.07059	53.1
83.05022	1.8
83.08617	11.0
85.02897	3.5
85.06546	5.5
86.09707	1.6
91.05486	3.6
93.03414	2.2
93.07056	16.3
94.92748	0.8
95.04989	4.6
95.08610	100.0
97.02914	2.3
97.06513	1.0
97.10159	6.9
98.97564	1.6
98.98524	1.0
99.08099	3.6
105.07028	3.4
107.08601	10.3
109.10159	26.2
109.10916	1.3
111.04465	3.7
111.08114	1.5
111.11746	3.3
113.09651	29.6
116.98606	0.9
117.06950	1.4
119.08566	4.8
121.02872	43.7
121.06507	4.9
121.10143	12.1
123.00767	1.1
123.11702	9.9
125.06119	0.9
131.08575	1.3
135.04420	1.2
135.11673	7.4
136.51271	0.8
137.05975	1.0
137.13284	3.9
139.03883	4.5
145.10162	2.1
147.11720	1.3
149.02332	9.6
149.13269	4.9
150.51073	0.8
151.11058	1.1
151.14870	2.5
163.03951	1.2
163.14822	5.6
164.07045	4.5
165.16373	1.7
166.82338	0.9
167.03476	4.2
177.16327	1.7
178.92068	0.9
181.04994	4.8
181.15845	0.9
191.03395	1.9
209.04474	5.8
223.05986	2.0
227.05562	0.9
247.24269	4.0
265.07120	0.8
265.25275	7.1
283.08319	1.2
283.20248	0.9
283.26385	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	284.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01878	7.7
57.03435	3.8
60.04504	2.0
60.11287	1.7
61.02925	5.9
64.35452	1.4
68.99798	2.8
69.03073	2.5
69.03434	36.2
69.07076	1.6
69.51764	11.9
71.04997	6.0
73.02917	10.2
73.20795	1.5
77.32141	1.4
81.03425	27.4
81.07077	2.4
85.02911	91.3
87.00836	38.0
91.03941	2.8
91.05510	2.0
93.07052	3.1
95.08605	2.3
97.02904	53.5
97.03522	3.6
99.04463	17.9
103.05455	2.3
105.01872	61.8
108.04497	10.0
109.02888	27.3
115.03927	1.5
117.01842	3.0
121.06512	17.7
126.05533	2.8
127.03927	100.0
128.15567	1.5
128.27939	1.6
129.01828	4.4
145.04967	72.3
146.08130	2.0
147.02888	3.6
159.02914	24.7
164.03413	3.0
164.07063	8.0
177.03978	1.6
192.01445	1.4
210.04822	1.9
210.07753	1.6
213.03941	5.8
224.09120	3.8
230.06699	3.2
231.05014	37.2
241.08601	3.2
248.07719	5.4
249.06088	12.7
269.08005	1.8
284.09781	8.3
284.12833	4.5
284.29535	2.1
309.10580	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0993
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01864	0.5
55.69894	0.2
56.96562	0.8
57.03429	0.6
61.02938	0.2
63.54170	0.2
63.79769	0.2
69.03427	1.1
70.06577	0.6
71.44981	0.2
73.02908	0.5
81.03403	0.3
85.02920	1.2
87.04453	0.2
97.02888	0.9
98.97585	2.6
101.00887	0.3
107.04980	1.1
107.98459	0.2
109.02863	0.2
109.05145	0.3
110.03534	1.9
116.98627	0.6
119.01911	0.4
124.99148	0.2
127.03936	0.4
128.04565	0.5
133.04924	0.2
134.04570	0.3
135.03035	6.0
136.68201	0.2
137.05971	0.2
143.00168	0.2
145.04994	0.3
149.05933	0.3
152.05685	100.0
153.04071	4.3
153.05981	0.3
158.99641	0.5
161.01259	0.5
173.01173	0.2
177.00911	0.2
179.02211	0.4
184.56129	0.2
187.04381	0.2
192.04726	0.6
193.05098	0.2
201.05176	1.0
219.01920	0.3
221.03261	0.2
221.05150	0.2
239.04424	1.1
260.07391	0.5
261.03143	0.8
266.09949	0.2
280.13730	0.2
281.05594	0.2
284.03027	0.2
284.08377	0.2
284.11243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56796	0.3
71.57170	0.1
85.02908	0.2
90.44775	0.1
121.06518	0.6
132.84232	0.2
152.06189	0.4
153.06999	2.2
153.10582	0.2
155.08563	0.3
164.07074	0.4
165.06984	0.7
167.08551	0.2
169.06526	0.4
170.07280	1.3
177.06964	0.2
180.05713	0.7
181.06499	8.3
182.07249	1.4
183.04422	0.3
183.08037	1.3
184.05183	0.5
185.09615	0.3
195.08044	1.1
196.05206	0.4
197.04105	0.3
197.05986	8.1
198.06775	10.3
199.07539	0.2
207.77469	0.2
208.05188	1.1
209.05998	1.6
210.06766	9.9
211.03786	0.3
211.07541	1.4
212.04735	0.7
212.08263	0.5
213.09117	5.1
223.07571	1.8
224.08240	1.3
225.05452	2.4
225.08878	0.2
226.06256	20.9
227.07027	2.0
236.04752	0.5
237.05414	0.2
238.06311	0.3
239.07011	0.5
240.04317	0.2
240.07835	5.1
241.08601	70.5
242.08891	0.3
251.07042	0.6
252.07886	0.2
254.05786	0.8
254.09402	0.8
255.06390	0.3
268.07269	0.5
269.08099	52.5
270.08624	0.5
284.10434	100.0
285.10971	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95431	0.1
69.07072	0.2
71.18551	0.3
79.05479	0.2
81.07049	0.3
85.02914	0.2
91.05463	0.4
93.07040	0.6
95.08619	0.4
98.97585	0.3
113.84360	0.2
116.98730	0.2
119.08601	0.3
121.06509	2.5
122.69586	0.2
150.02644	0.2
152.06219	0.3
153.06976	2.0
155.08595	0.2
164.07042	0.5
165.06995	0.5
169.06526	0.5
170.07309	1.2
180.05698	0.7
181.06480	6.8
182.07225	1.1
183.04486	0.3
183.08020	0.8
184.05229	0.4
185.09682	0.4
195.08070	0.9
196.05193	0.4
197.04114	0.2
197.05978	6.8
198.06772	10.5
199.07495	0.2
208.05212	0.9
209.06056	1.2
210.06767	9.1
211.04031	0.4
211.07492	1.6
212.04680	0.4
212.08276	0.4
213.09106	4.3
223.07654	0.8
224.08383	1.2
225.05386	1.9
225.09045	0.4
226.06256	19.5
227.07097	2.1
235.17381	0.2
236.04700	0.5
238.06261	0.3
239.07104	0.5
240.07828	4.4
241.08601	69.5
242.08987	0.5
251.07065	0.8
253.04935	0.2
253.08591	0.2
254.05672	0.6
254.09390	0.9
255.06529	0.3
256.10245	0.2
268.07336	0.7
269.08099	46.6
270.08673	0.5
284.10434	100.0
285.11014	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40457	0.3
55.49998	0.3
69.03430	0.5
70.06596	100.0
70.45132	0.4
81.03433	1.6
97.02904	0.4
98.21545	0.3
99.04454	0.3
109.02885	5.5
112.07613	75.1
116.07127	1.3
127.03951	0.6
129.26457	0.3
130.65889	0.3
139.89243	0.3
140.07074	24.7
157.37939	0.3
158.08142	4.1
178.08687	0.3
224.09120	0.4
266.10278	1.1
284.11215	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	284.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
67.70886	0.2
68.05026	0.3
68.87157	0.2
69.03439	0.6
70.02644	0.8
70.03036	0.5
70.06595	100.0
81.03423	1.6
82.47622	0.2
90.31161	0.2
97.02909	0.6
98.03225	0.3
98.20753	0.3
98.97594	0.3
99.04465	0.4
103.76978	0.2
109.02880	5.4
112.07610	77.9
116.07106	1.6
121.02878	0.5
122.03263	0.3
127.03939	0.6
140.07069	27.2
152.04262	0.3
158.08139	4.4
164.17880	0.3
165.01920	0.5
166.02222	0.4
180.82980	0.3
182.05316	0.4
241.08519	0.4
254.11101	0.3
255.06572	0.3
256.07001	0.3
266.10431	1.4
269.08057	0.8
283.06033	0.5
284.06693	4.2
284.11111	2.1
284.29559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.96558	1.4
65.62072	0.5
68.04993	0.7
69.03420	1.1
69.98596	2.9
70.06583	1.5
71.04983	0.5
79.05498	0.9
81.07050	0.6
84.04510	0.6
84.08148	0.9
85.02914	5.1
86.09702	2.1
87.04466	1.2
87.81192	0.5
91.05476	2.1
93.03384	0.7
93.07059	0.6
95.04939	0.6
97.02880	1.1
98.97578	2.4
103.05472	1.5
105.01865	0.7
105.07043	0.6
106.02881	0.6
107.04939	1.3
108.04494	0.7
109.02892	0.6
114.05511	0.7
116.98608	1.7
117.05795	1.0
118.06538	1.0
121.02873	1.1
121.06510	4.8
122.05985	0.7
122.06830	0.6
126.05553	0.7
127.03943	1.6
130.06567	2.5
132.04422	0.7
132.08080	0.7
132.10194	1.7
134.05998	0.5
135.04376	1.0
136.06204	2.8
136.07582	0.9
137.05948	0.9
138.05481	1.0
144.08080	1.8
146.06017	3.8
147.04402	1.0
148.07536	0.5
150.05531	0.7
152.05699	4.8
153.05518	0.8
153.66533	0.6
154.04965	0.9
158.99741	0.6
161.01283	0.6
161.04759	0.7
161.06078	0.6
162.09085	0.6
163.03917	1.6
164.07018	2.5
165.11501	0.8
166.05006	1.3
172.07603	4.0
176.07047	1.5
178.08591	4.5
179.04620	0.8
180.06519	0.6
190.08694	2.7
192.06531	4.2
192.10165	1.4
194.04659	0.6
196.09653	2.5
204.06601	3.1
204.10223	9.7
205.85524	0.5
207.08971	0.7
218.08083	4.2
219.01831	0.7
220.06068	1.0
222.07614	1.6
222.11255	14.9
234.07567	0.5
236.09189	20.6
238.07144	1.9
238.10780	2.0
241.08598	2.8
248.09250	1.5
248.20131	0.5
252.08736	1.5
254.10245	19.1
266.06622	1.7
266.10248	5.4
269.08121	1.9
284.07895	6.6
284.11285	100.0
284.29407	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	284.1283
Annotation	N-P-Coumaroyltyramine
Peak:m/z	Relative Intensity
51.02371	0.3
53.03949	1.8
55.01872	0.4
55.05502	0.3
56.96561	0.4
65.03962	0.2
67.05511	0.3
69.40402	0.2
69.44041	0.3
69.44457	0.9
77.03932	0.7
79.05492	0.4
81.07066	0.2
91.04892	0.3
91.05480	9.0
93.07045	15.0
95.04973	2.3
95.08598	0.3
97.06516	0.2
98.97589	0.4
103.05472	9.9
105.04536	1.0
107.08626	0.2
109.10148	0.2
112.85944	0.1
119.08595	0.2
121.06507	100.0
122.06062	0.2
122.06850	0.3
145.10182	0.2
157.06532	0.2
161.13033	0.2
164.07072	26.8
192.14632	0.4
219.64474	0.2
226.06343	0.2
234.15793	0.2
241.08556	0.3
269.08188	0.4
284.12823	31.4
284.29443	0.7
285.13275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1122
Annotation	Batatasin I
Peak:m/z	Relative Intensity
51.94223	0.3
55.01882	0.3
62.14788	0.3
67.05502	1.7
70.06590	2.3
71.06944	0.7
71.57576	0.5
79.05491	0.6
81.03416	0.5
81.07069	0.6
83.05019	0.4
83.33693	0.3
84.08131	0.4
85.02921	0.6
89.03927	0.4
91.05476	1.3
95.04971	0.6
95.08605	0.5
96.85979	0.3
98.97575	0.7
103.05466	0.9
105.07033	2.9
107.04933	0.5
109.06520	0.5
109.10163	2.9
110.07174	0.4
112.07610	1.1
113.06022	0.3
113.07942	0.8
114.47546	0.3
115.05475	1.3
117.03363	0.6
118.04150	0.5
119.04906	0.7
119.08557	0.6
121.06512	1.2
123.04441	1.3
130.04108	0.4
131.04962	0.9
133.06485	2.3
134.03651	0.4
135.08070	0.7
137.06004	3.4
137.09642	0.6
146.03627	2.7
147.04391	1.1
149.05974	1.2
153.06990	1.1
154.07726	1.7
161.05986	13.8
162.06766	0.7
163.03925	0.4
165.06999	20.6
168.05661	0.5
177.05511	0.5
177.06972	0.6
178.07822	0.6
179.08553	0.8
181.06471	3.5
182.07295	8.4
183.06570	0.8
183.08047	0.5
191.07027	2.2
192.05670	0.7
193.06488	21.3
194.07329	1.9
197.06001	0.4
197.09659	0.9
207.06451	0.5
207.08177	0.6
209.06020	1.3
210.06766	15.3
211.07567	2.3
217.04898	0.3
221.05980	26.1
222.06648	1.6
224.08272	0.5
225.09109	33.8
227.07094	1.2
237.05496	0.6
238.06248	9.2
239.07014	2.1
239.09120	0.5
242.09377	0.6
253.08611	100.0
254.09331	4.6
255.06526	0.8
257.11722	0.5
269.08188	0.5
270.08820	2.9
285.11206	41.1
286.11533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1133
Annotation	ALPINETIN METHYL ETHER
Peak:m/z	Relative Intensity
56.96561	0.6
57.03437	0.3
58.09165	0.4
58.78736	0.3
67.05502	0.5
69.03432	0.4
71.04211	0.8
73.02897	1.2
81.03427	0.5
81.07016	0.5
89.66311	0.3
91.05461	0.5
93.01879	0.4
95.08592	1.1
97.02876	0.7
98.97559	0.4
105.07016	0.6
110.97602	0.5
119.04948	0.3
119.08554	0.5
121.10132	0.7
147.04405	1.4
150.05504	1.2
164.99263	0.3
165.07014	0.4
186.16328	0.4
190.06415	0.4
225.09306	0.5
228.54980	0.4
253.08688	0.4
254.04553	0.5
264.07526	0.4
273.08121	0.5
273.58499	0.5
283.04688	0.4
285.11325	100.0
286.11578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
65.03896	0.2
67.05504	2.3
69.66593	1.4
81.03412	0.4
81.07027	0.3
91.05485	1.7
93.07050	0.3
94.06573	8.1
95.04945	0.3
98.20948	0.7
98.21512	0.3
98.97585	0.3
106.06565	2.6
119.08545	0.2
121.06525	0.4
122.06035	6.6
136.07590	2.1
150.05511	100.0
151.05824	0.6
168.06543	1.6
191.56490	0.2
200.61037	0.2
225.09332	0.3
285.12415	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.8
55.01861	12.1
55.05501	12.8
57.03439	27.9
57.07053	6.5
61.02913	8.2
65.66124	5.3
67.05495	25.6
69.03427	35.5
69.07059	13.6
69.45921	36.9
71.01360	7.8
71.04984	11.5
73.02926	34.4
79.05512	29.4
81.03441	40.4
81.07062	48.8
83.04969	25.5
83.26620	5.9
85.02913	19.7
85.06525	16.4
91.05485	29.9
93.07050	91.5
95.04963	22.9
95.08607	37.4
97.02909	27.5
97.06540	11.0
98.20935	18.3
99.04451	16.7
103.03979	9.5
105.07031	54.0
107.04969	30.6
107.08601	100.0
109.06506	22.0
109.10130	17.7
111.04452	15.5
113.06005	12.0
115.03924	18.2
117.06995	15.8
119.08595	41.7
121.06502	9.4
121.10168	30.0
123.04464	14.6
123.08052	11.8
125.05966	7.2
127.07513	5.9
128.06192	8.0
129.07037	6.5
131.08548	12.8
133.10107	25.5
135.08046	23.9
135.11711	50.7
137.09621	22.6
141.05453	10.9
143.08540	9.4
145.10136	18.9
147.08046	11.9
147.11664	35.3
149.13231	9.5
150.05531	19.0
151.07588	12.3
151.11095	7.0
153.09119	11.3
153.12746	20.5
157.10152	16.0
159.06511	9.4
159.11717	17.3
161.09639	13.2
161.13257	8.6
163.07596	9.5
163.11192	18.2
165.12798	45.8
171.11644	8.0
173.09618	10.4
175.11212	10.5
177.12753	8.6
181.08662	30.5
181.12154	6.6
189.12709	15.1
193.12244	12.3
195.11855	5.3
199.09639	7.4
201.12857	8.4
203.14270	6.0
207.13829	7.7
213.12762	11.2
219.13754	14.9
231.13823	40.3
237.14809	10.6
249.14897	48.8
255.71344	5.7
267.15857	40.9
285.16971	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Dendronobilin L
Peak:m/z	Relative Intensity
53.03929	5.8
55.01861	12.1
55.05501	12.8
57.03439	27.9
57.07053	6.5
61.02913	8.2
65.66124	5.3
67.05495	25.6
69.03427	35.5
69.07059	13.6
69.45921	36.9
71.01360	7.8
71.04984	11.5
73.02926	34.4
79.05512	29.4
81.03441	40.4
81.07062	48.8
83.04969	25.5
83.26620	5.9
85.02913	19.7
85.06525	16.4
91.05485	29.9
93.07050	91.5
95.04963	22.9
95.08607	37.4
97.02909	27.5
97.06540	11.0
98.20935	18.3
99.04451	16.7
103.03979	9.5
105.07031	54.0
107.04969	30.6
107.08601	100.0
109.06506	22.0
109.10130	17.7
111.04452	15.5
113.06005	12.0
115.03924	18.2
117.06995	15.8
119.08595	41.7
121.06502	9.4
121.10168	30.0
123.04464	14.6
123.08052	11.8
125.05966	7.2
127.07513	5.9
128.06192	8.0
129.07037	6.5
131.08548	12.8
133.10107	25.5
135.08046	23.9
135.11711	50.7
137.09621	22.6
141.05453	10.9
143.08540	9.4
145.10136	18.9
147.08046	11.9
147.11664	35.3
149.13231	9.5
150.05531	19.0
151.07588	12.3
151.11095	7.0
153.09119	11.3
153.12746	20.5
157.10152	16.0
159.06511	9.4
159.11717	17.3
161.09639	13.2
161.13257	8.6
163.07596	9.5
163.11192	18.2
165.12798	45.8
171.11644	8.0
173.09618	10.4
175.11212	10.5
177.12753	8.6
181.08662	30.5
181.12154	6.6
189.12709	15.1
193.12244	12.3
195.11855	5.3
199.09639	7.4
201.12857	8.4
203.14270	6.0
207.13829	7.7
213.12762	11.2
219.13754	14.9
231.13823	40.3
237.14809	10.6
249.14897	48.8
255.71344	5.7
267.15857	40.9
285.16971	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
52.96424	0.1
53.03939	0.2
55.05518	0.8
55.30252	0.1
59.05015	0.1
67.05505	0.6
69.07071	0.5
69.61957	0.2
69.62372	0.6
79.05502	0.4
81.07071	0.6
83.08627	0.2
87.72072	0.1
91.05489	1.4
92.60733	0.1
93.07035	0.9
95.08605	1.4
95.52442	0.1
105.06384	0.2
105.07040	2.5
107.08612	1.2
109.10163	0.7
111.08103	0.2
115.05488	0.3
116.06194	0.1
117.06982	1.0
119.08585	3.2
121.10143	1.1
123.11656	0.2
128.06253	0.2
129.07013	0.5
130.07796	0.8
131.08578	1.3
132.09358	0.4
133.10132	3.3
135.11711	0.2
141.07037	0.2
142.07794	0.3
143.08582	1.0
144.09340	0.4
145.10129	4.7
146.10895	0.7
147.11690	100.0
148.12015	0.4
148.28087	0.1
155.08521	0.6
156.09383	0.7
157.10118	1.3
158.10902	0.3
159.11696	2.2
161.13254	0.9
163.11195	0.2
165.12766	0.3
167.08543	0.2
169.10153	1.7
170.10922	0.5
171.11700	1.5
173.13249	1.3
181.10155	0.3
182.10924	0.6
183.11664	1.4
184.12489	0.6
185.13264	1.7
187.14819	0.4
196.12463	0.3
197.13281	2.6
198.14101	0.3
199.14838	1.5
201.12630	0.1
201.16389	0.2
209.13304	0.5
210.14032	0.2
211.14755	0.8
213.16362	0.6
224.15602	0.2
225.16411	0.4
237.16420	1.7
239.17963	1.8
242.05759	0.3
252.18735	1.8
267.21133	1.6
285.07593	0.5
285.18625	2.1
285.22107	23.0
286.22427	0.3
289.09805	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	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
55.05521	0.5
56.06006	0.2
61.06138	0.2
67.05505	0.5
70.36103	0.3
70.36447	0.7
79.05492	0.5
81.07069	0.3
83.17693	0.2
91.05493	1.4
93.07056	0.6
95.08611	1.0
95.63851	0.2
100.28352	0.2
105.07040	2.5
107.08605	0.9
109.10183	0.6
109.63457	0.2
112.64188	0.2
115.05490	0.3
117.07008	0.6
119.08591	2.8
121.10141	1.0
121.65305	0.2
129.07016	0.4
130.07811	0.9
131.08588	1.3
132.09395	0.3
133.10146	3.2
142.07803	0.2
143.08580	0.7
144.09340	0.4
145.10136	4.0
146.10934	0.7
147.11697	100.0
148.12056	0.6
154.85210	0.2
156.09395	0.6
157.10191	1.2
158.10902	0.5
159.11699	2.0
161.13271	1.0
163.11221	0.4
169.10114	0.4
170.10931	0.8
171.11696	1.4
173.13274	1.5
182.10919	0.5
183.11714	0.8
183.95100	0.2
184.12509	0.6
185.13266	1.8
187.14879	0.3
195.11685	0.4
196.12563	0.3
197.13297	2.6
199.14873	1.5
209.13402	0.3
210.14111	0.3
211.14801	0.8
213.16389	0.5
225.16440	0.5
237.16368	1.8
244.23599	0.2
252.18777	1.9
267.21060	1.3
279.10391	0.3
285.22153	24.9
286.22388	0.3
298.94785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
53.03950	0.2
55.05509	1.0
56.96560	0.3
57.03421	0.2
57.07077	0.4
57.74212	0.2
65.03959	0.2
67.05515	1.0
69.07076	0.8
71.04984	0.2
71.39897	0.4
79.05482	0.7
81.07044	1.0
83.08613	0.5
86.62111	0.2
91.05480	1.6
93.07050	1.2
95.08598	1.2
105.07037	3.2
107.08604	1.6
109.10184	0.7
116.35533	0.2
117.06969	1.1
119.08585	3.0
121.10165	0.9
128.06178	0.3
129.07047	0.3
130.07803	0.9
131.08583	1.8
132.09381	0.3
133.10132	3.0
135.11595	0.2
142.07761	0.3
143.08566	0.8
144.09413	0.2
145.10129	4.6
146.10895	0.7
147.11688	100.0
148.12019	0.5
153.00354	0.7
155.01941	0.9
155.08540	0.4
156.09334	0.7
157.10100	1.4
158.10892	0.4
159.11690	2.4
161.13266	0.8
163.11240	0.4
165.12782	0.2
169.10129	0.7
170.10915	0.7
171.01396	3.1
171.11673	1.6
173.13254	1.5
175.14752	0.3
182.10921	0.3
183.11674	1.1
184.12471	0.6
185.13242	2.0
187.14810	0.4
193.03523	0.6
194.03101	0.2
196.12418	0.3
197.13264	2.4
199.14824	1.7
201.12801	0.2
209.02988	0.6
209.13309	0.3
211.14839	0.6
213.16393	0.4
221.02901	0.4
223.14622	0.2
224.15587	0.2
225.09119	0.2
225.16460	0.4
237.09673	0.6
237.16394	1.9
239.04172	0.3
239.17986	0.4
242.05753	0.6
252.18694	2.0
257.05109	1.0
262.05646	0.8
267.21017	1.6
270.05270	0.3
277.11246	0.2
280.06738	0.9
285.07526	2.3
285.22122	23.4
285.33353	0.5
303.18188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2216
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
55.05515	0.8
56.72181	0.2
56.96579	1.1
57.07085	0.3
58.40867	0.2
66.10740	0.2
67.05500	1.2
69.07073	0.8
71.59016	0.3
79.05489	0.7
81.07063	0.8
83.08611	0.6
83.75975	0.2
88.61346	0.2
91.05479	1.3
93.07047	0.8
95.08604	1.5
97.10178	0.3
105.07029	3.2
107.08613	1.5
109.10165	0.8
115.05415	0.3
117.07032	0.8
119.08581	3.1
121.10200	1.0
123.11684	0.3
129.07039	0.5
130.07813	0.8
131.08591	1.2
132.09344	0.3
133.10133	3.4
142.07787	0.3
143.08569	0.5
144.09360	0.3
145.10141	4.5
146.10892	0.7
147.11694	100.0
148.12027	0.3
155.08542	0.3
156.09341	0.5
157.10193	1.2
159.11699	2.5
161.13295	1.0
163.11159	0.3
169.10173	0.5
170.10913	0.7
171.11659	1.6
173.13280	1.5
182.10922	0.4
183.11667	1.0
184.12480	0.6
185.13281	1.7
187.14838	0.3
195.11852	0.2
196.12498	0.3
197.13263	2.2
198.13991	0.3
199.14847	1.5
209.13313	0.5
210.14120	0.2
211.02887	0.2
211.14844	0.7
213.16371	0.6
221.00995	0.3
225.16484	0.3
237.16350	1.7
239.02271	2.5
239.17842	0.4
242.05719	0.6
252.18719	1.7
253.08577	0.4
257.03302	1.9
260.56891	0.3
262.03815	0.6
267.21109	1.4
270.05249	0.4
280.05069	0.3
285.07584	2.1
285.10760	0.5
285.22131	25.2
285.33395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05288	1.9
55.05515	16.9
59.05005	2.3
67.05217	2.0
67.05515	21.1
69.03415	2.7
69.06721	2.8
69.07074	50.5
69.62894	8.0
69.63324	4.6
71.04983	5.9
79.05497	17.2
80.27621	1.8
81.07060	38.4
83.04980	2.3
83.08602	8.7
91.05481	21.3
93.07053	30.1
95.04953	7.3
95.08611	38.1
97.06535	24.6
97.10194	3.5
98.59315	2.0
105.07036	61.9
107.08604	42.5
109.06525	28.7
109.10163	33.9
111.08076	5.6
111.11687	2.4
115.05418	2.3
117.07021	6.6
119.08591	85.6
121.06483	9.3
121.10149	30.2
123.08057	6.4
123.11712	21.0
131.08580	9.8
132.66359	2.0
133.10136	48.0
135.08064	10.5
135.11693	17.7
137.09578	5.5
137.13298	4.2
143.08539	8.5
145.10118	20.8
146.07265	7.8
147.08038	4.0
147.11682	19.9
149.09616	4.3
149.13268	5.7
155.08540	4.7
157.10185	10.0
159.11667	10.7
160.93115	2.2
161.09625	100.0
161.13280	8.3
163.14807	2.5
169.10155	4.9
171.11688	5.4
173.13246	6.9
175.11195	5.4
175.14841	57.6
177.16377	7.4
183.11710	4.9
185.13271	9.8
187.14813	2.7
189.16402	3.5
193.15889	11.8
197.13272	11.8
199.14780	4.2
211.14806	13.4
215.17995	3.0
244.69702	1.9
267.21176	13.3
285.07516	4.1
285.22119	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
67.05483	1.1
70.84419	2.9
81.07056	1.5
95.08585	2.9
98.21124	1.8
105.07034	1.4
107.08561	1.1
109.10108	1.2
111.10143	1.2
117.07082	1.1
119.08552	2.7
131.08527	1.6
133.10124	3.7
144.11848	1.1
145.10132	3.9
147.11693	100.0
159.11726	2.5
173.13277	1.8
176.38567	1.1
185.13292	1.6
197.13263	1.5
199.14769	1.2
211.14706	1.2
237.16402	2.0
252.18608	1.2
257.31439	1.0
267.21027	2.6
271.13144	1.0
285.07578	3.4
285.22134	26.6
285.29776	1.2
300.25891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
59.27872	1.6
71.57318	1.8
75.83514	1.6
95.08622	2.2
105.07051	3.8
117.07001	1.6
118.25978	1.5
119.08563	3.5
121.10130	1.9
121.16625	1.6
133.10175	2.9
145.10161	4.7
147.11699	100.0
159.11687	4.7
173.08437	1.4
173.13222	1.7
246.38771	1.5
267.21277	3.2
274.32996	1.5
285.07608	3.9
285.22141	23.8
285.29822	3.2
285.33521	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	286.3105
Annotation	ES-285
Peak:m/z	Relative Intensity
54.23534	0.2
56.96550	0.6
57.07078	5.7
58.06602	1.0
62.06091	0.4
64.89564	0.2
69.07066	0.4
70.00572	0.4
70.00980	0.6
70.06590	1.2
71.08289	0.2
71.08641	2.5
72.08159	18.8
85.10170	1.2
87.04460	0.4
88.07635	1.3
90.09200	13.6
91.50687	0.2
93.07027	0.2
95.08589	0.3
105.90414	0.2
127.32670	0.2
148.12021	0.4
153.01868	0.3
174.18590	0.4
190.99591	0.2
201.23248	0.2
212.23709	0.6
220.24121	0.2
230.24809	2.5
232.96483	0.3
240.02661	0.3
242.28444	0.7
243.46397	0.2
268.26468	0.3
275.12399	0.3
275.15823	0.2
286.07840	0.5
286.31049	100.0
287.05579	1.7
287.31329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Luteolin
Peak:m/z	Relative Intensity
61.73957	0.0
67.01522	0.1
67.01868	1.3
68.99433	0.1
68.99795	1.2
69.03432	0.1
70.36790	0.2
79.05504	0.2
80.86108	0.0
81.03451	0.1
89.03910	0.5
92.33248	0.0
97.02892	0.1
98.20846	0.1
105.03376	0.1
107.04959	0.2
109.02893	0.1
111.00086	0.0
111.00787	0.3
111.04462	0.1
115.05443	0.1
117.03375	0.7
119.18738	0.0
125.02371	0.1
127.03883	0.1
128.06232	0.1
129.01855	0.3
129.07042	0.1
131.04956	0.1
135.04422	4.0
137.02356	1.1
137.05983	0.1
139.05402	0.1
141.06874	0.0
141.61772	0.0
146.03802	0.1
147.04420	0.1
151.03874	0.1
153.01834	10.7
157.06480	0.1
161.02348	1.2
167.04959	0.1
171.02890	0.6
171.04465	0.2
173.06012	0.1
179.03429	0.6
183.04446	0.0
185.05954	0.3
189.05441	0.1
195.04347	0.1
197.06104	0.0
199.03854	0.1
203.03337	0.2
203.07149	0.0
212.04614	0.0
213.05484	0.4
218.05829	0.1
219.06631	0.1
223.03999	0.1
231.06456	0.2
241.04951	1.5
245.04410	0.2
258.05322	0.1
259.06021	0.1
263.05511	0.2
269.04434	0.7
286.04840	0.1
287.05502	100.0
288.05795	1.1
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
55.01879	0.1
56.22846	0.1
65.03942	0.2
67.01885	0.5
68.99430	0.1
68.99792	1.6
69.03431	0.2
69.28798	0.6
74.49968	0.1
79.05482	0.3
81.03419	0.2
82.79471	0.1
89.03928	0.2
91.05497	0.1
95.04974	0.2
98.73802	0.1
103.05469	0.3
105.03374	0.5
107.04956	0.7
109.02870	0.4
111.00809	1.1
111.04446	0.2
115.05458	0.2
117.03399	0.1
117.06992	0.1
118.98432	0.1
119.04960	0.1
121.02872	4.3
121.03960	0.2
121.06478	0.1
123.51035	0.1
127.03884	0.1
128.06262	0.1
129.07011	0.2
131.04942	0.2
133.02858	0.7
135.04424	1.1
136.07547	0.2
137.02350	1.7
137.05962	0.4
141.06982	0.1
145.06488	0.3
147.04420	0.9
151.03883	0.1
153.01834	9.4
157.06503	0.9
161.02364	0.3
161.06003	0.3
164.07094	0.2
165.01845	2.5
171.03015	0.2
171.04427	0.3
175.03947	0.1
175.07576	0.1
179.03450	0.2
183.02924	1.2
185.05965	0.7
189.05382	0.2
197.06018	0.2
199.03966	0.2
203.03432	0.2
203.07076	0.3
213.05482	2.2
216.04175	0.1
217.05008	0.1
219.06613	0.1
223.03850	0.1
229.05038	0.3
231.06514	0.9
241.04944	1.4
243.06456	0.2
258.05255	1.4
259.06107	0.5
269.04333	0.4
286.04541	0.1
287.05502	100.0
288.05899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79531	0.0
63.02380	0.0
67.01868	1.3
68.91982	0.0
68.99458	0.0
68.99789	1.1
69.03412	0.0
69.98634	0.2
72.62643	0.0
73.43482	0.0
79.05497	0.2
81.03419	0.1
83.01345	0.0
85.09895	0.0
89.03918	0.6
97.02892	0.1
98.20705	0.0
103.05494	0.0
107.04947	0.3
109.02877	0.1
111.00808	0.2
111.04433	0.1
115.05458	0.1
117.03378	0.6
125.01577	0.0
125.02350	0.2
127.03922	0.1
128.06248	0.1
129.01840	0.2
129.07077	0.1
135.04419	3.9
137.02347	1.1
137.03404	0.1
139.05438	0.1
143.04973	0.1
145.06586	0.0
147.04431	0.1
149.02376	0.0
151.03873	0.0
153.01831	10.7
157.06499	0.2
161.02341	1.2
167.04996	0.1
171.02907	0.5
171.04414	0.1
173.05963	0.1
175.03781	0.0
179.03413	0.5
185.05940	0.3
189.05527	0.1
195.04332	0.1
199.03856	0.2
203.03386	0.2
203.07004	0.1
213.05406	0.4
217.04922	0.0
218.05789	0.1
219.06514	0.1
223.03983	0.1
227.03609	0.1
231.06537	0.1
241.04945	1.2
244.03873	0.0
245.04497	0.2
258.05182	0.1
259.06116	0.2
263.05536	0.1
269.04425	0.8
270.05371	0.0
275.25427	0.0
286.04694	0.1
287.05496	100.0
288.05811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.09192	0.0
55.01877	0.0
63.79271	0.0
67.01869	1.3
68.99424	0.1
68.99793	1.1
69.00167	0.1
69.03411	0.0
71.58713	0.0
79.05494	0.2
81.03416	0.2
84.32404	0.0
89.03922	0.5
97.02891	0.1
103.05427	0.0
103.64952	0.0
107.04340	0.0
107.04959	0.2
109.02876	0.1
111.00814	0.2
111.04457	0.1
115.05518	0.0
117.03382	0.7
125.02351	0.1
127.03912	0.1
128.06235	0.1
129.01855	0.3
129.06998	0.1
131.04936	0.1
135.04424	4.0
137.02357	1.1
137.03400	0.1
139.05469	0.1
147.04407	0.1
153.01836	10.2
155.04977	0.0
157.02934	0.0
157.06474	0.2
157.14555	0.0
161.02347	1.2
161.05923	0.0
167.05003	0.1
171.02902	0.5
171.04420	0.1
173.05956	0.0
175.03928	0.1
177.05493	0.0
179.03403	0.6
185.06029	0.3
189.05446	0.1
195.04327	0.1
199.03923	0.2
201.05513	0.1
203.03346	0.3
203.07080	0.0
213.05467	0.4
216.04271	0.1
217.04921	0.1
219.06514	0.2
223.04050	0.0
227.03438	0.1
231.06508	0.2
241.04956	1.3
244.03899	0.1
245.04465	0.2
259.06152	0.2
263.05530	0.2
269.04443	0.7
270.04959	0.0
286.04700	0.1
287.05502	100.0
288.05783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
67.01869	1.2
68.99796	0.8
69.32077	0.6
69.32481	0.2
79.05475	0.3
81.07058	0.1
89.03934	0.5
92.65987	0.1
107.04952	0.3
111.00809	0.2
115.05497	0.1
117.03346	0.5
121.02885	0.1
129.01833	0.1
131.04965	0.1
135.04422	3.9
137.02342	0.9
153.01837	9.4
153.60458	0.1
157.06430	0.2
161.02345	1.1
167.03423	0.5
171.02881	0.5
171.04253	0.2
179.03394	0.6
185.06021	0.2
189.05498	0.1
203.03406	0.2
213.05518	0.5
219.06479	0.1
231.06546	0.2
241.04962	1.4
245.04349	0.1
259.06049	0.2
265.39026	0.1
269.04498	0.7
269.22574	0.1
282.72513	0.1
287.05505	100.0
288.05801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	2'-O-Methyllicodione
Peak:m/z	Relative Intensity
51.02367	0.3
51.04002	0.1
53.03944	0.7
55.01855	0.3
55.05493	0.1
65.03952	0.7
66.81273	0.1
67.05507	4.4
68.99220	0.1
69.88434	0.4
77.03909	0.6
78.04665	0.1
79.05482	0.3
81.03429	0.2
81.07034	0.3
91.05481	2.7
95.04967	1.6
95.08603	0.2
98.20834	0.2
105.03397	1.7
105.04516	0.4
107.04960	1.2
109.06507	0.2
119.04929	1.2
123.04414	1.3
131.37674	0.1
133.02856	0.9
135.04398	0.4
137.05168	0.1
137.05978	3.8
151.03903	100.0
152.04259	0.1
153.01808	0.5
181.06502	0.2
219.06461	0.1
287.05539	5.4
287.09140	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	287.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03415	0.4
55.01871	0.4
55.05513	0.3
55.48066	0.3
56.96333	0.3
56.96567	3.0
57.03416	0.7
59.04995	0.3
61.02917	0.8
67.05499	0.5
69.03413	1.4
69.65321	2.1
70.06591	1.5
71.04980	0.7
72.08143	1.5
73.02896	0.7
79.05482	0.6
81.03410	0.5
83.04951	0.3
84.08132	0.8
85.02921	2.6
85.06526	0.5
87.04477	0.5
89.03902	1.4
90.43127	0.3
91.05469	0.5
95.04951	0.4
97.02905	1.9
98.97587	3.4
98.98252	0.4
98.98472	0.3
101.00841	0.4
103.05451	0.5
105.06992	0.3
107.04950	0.7
109.02892	0.7
109.10120	0.5
110.97558	1.2
111.79187	0.3
112.05121	0.5
116.07060	0.5
116.98612	1.1
117.03356	1.3
121.02902	0.6
123.04409	0.5
124.99096	0.9
125.07124	1.2
125.07935	0.3
127.03931	0.7
128.98633	1.1
131.00172	0.3
131.04921	0.7
135.04446	1.9
136.06050	0.4
137.05943	0.9
139.03925	0.5
141.05539	0.4
143.00140	1.7
145.02870	1.2
145.04948	0.6
158.99625	0.4
161.01256	0.8
163.01749	0.3
163.03918	7.8
163.07626	0.3
170.99649	0.6
173.02861	0.7
177.00822	0.5
180.03583	1.1
185.01201	0.7
186.07622	2.3
189.00659	0.4
189.04155	0.8
193.08289	0.4
201.00710	0.4
212.56645	0.4
219.01630	0.4
221.05109	0.9
231.01685	0.4
237.02818	1.0
249.02873	1.0
254.55087	0.3
267.03873	1.0
269.06516	0.5
281.24365	0.3
287.11008	100.0
288.11249	0.5
289.05927	0.4
291.03867	1.3
309.04880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	CHEMBL274826
Peak:m/z	Relative Intensity
52.46759	0.5
53.03939	0.4
53.73310	0.4
55.01876	0.7
55.05510	3.8
57.03442	0.8
59.04978	0.7
67.05508	3.9
69.03414	1.0
69.07070	8.7
69.58381	1.7
69.58804	1.3
71.05000	1.1
73.50424	0.4
79.05486	2.9
81.07058	5.1
83.04972	0.9
83.08627	2.5
85.06553	0.8
85.90426	0.5
91.05469	3.0
93.07050	8.2
93.07621	0.8
95.04972	5.4
95.08612	12.4
97.00549	0.9
97.06532	1.2
105.07043	4.7
107.04959	0.9
107.08601	7.4
108.05719	1.0
109.06522	3.4
109.10179	2.2
111.04453	1.2
111.08076	1.0
113.06002	0.7
115.95157	0.5
117.06994	0.6
119.08595	3.8
121.06499	5.5
121.10133	5.1
122.07290	2.1
123.07183	0.9
123.08074	17.4
123.11699	1.1
125.05965	0.9
127.03599	0.5
129.01793	0.6
129.07005	0.8
130.07732	0.6
131.08583	1.7
131.13278	0.4
133.06494	0.6
133.10173	2.5
135.08057	14.2
135.11703	8.1
136.08824	1.5
137.09599	1.0
139.07562	1.4
142.07751	1.2
143.08563	1.7
145.10121	5.4
147.08060	1.5
147.11679	2.6
148.08861	1.1
149.09639	3.8
149.13213	0.5
151.07550	0.7
151.11186	0.9
155.08568	0.5
156.09366	1.0
157.10127	4.1
159.08055	0.8
159.11679	2.1
161.09639	1.0
161.13257	1.7
163.11188	5.0
163.14888	1.8
165.12741	1.3
169.10156	0.8
171.11684	3.0
173.09680	0.9
173.13226	2.4
174.10408	0.5
175.11140	1.5
176.11934	0.8
177.06770	1.1
177.12778	0.9
177.16347	0.7
181.12225	8.5
185.09636	0.6
185.13242	1.4
187.14819	1.6
189.12744	1.8
191.14316	29.8
199.11221	2.2
201.16418	0.7
205.15906	2.8
207.13837	0.6
211.14853	1.2
213.12701	0.9
217.12248	2.5
217.15839	0.7
227.17876	0.7
229.15950	1.0
231.13797	0.6
235.93753	0.5
243.25143	0.5
244.18202	0.6
245.18738	0.6
269.19003	1.2
287.05557	2.7
287.20059	100.0
288.20197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2217
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.97184	1.1
53.03929	3.0
55.01858	4.4
55.05510	29.4
56.96553	1.8
57.03426	2.9
57.07060	2.5
59.05002	1.2
65.03928	1.7
67.05508	39.8
67.05872	2.1
69.03429	1.4
69.06727	1.9
69.07070	25.8
69.32832	9.2
69.59641	0.9
71.04984	3.9
71.08633	1.1
77.03944	1.0
79.05064	1.3
79.05496	20.6
81.07058	57.6
83.04967	5.0
83.08621	14.6
84.08119	1.5
84.56548	1.0
85.06542	2.0
91.05484	8.3
93.06471	1.8
93.07043	28.0
95.04982	1.5
95.08608	58.8
97.06532	6.1
97.10176	13.5
98.97570	1.9
105.07033	6.7
107.08603	17.3
107.36579	0.9
109.06535	1.2
109.10162	35.3
111.08067	3.3
111.11716	1.4
117.07025	1.9
119.08594	6.2
121.06504	4.1
121.10144	22.6
123.08092	1.7
123.11712	12.8
125.09641	5.8
131.08583	4.9
133.10139	8.0
135.08040	1.7
135.11713	10.2
137.09596	3.2
137.13245	2.6
139.11169	4.4
145.10097	7.5
147.11665	3.6
149.09605	1.9
149.13239	4.5
151.11174	3.5
159.11705	6.5
163.11232	1.5
163.14702	1.2
165.12741	1.0
167.10727	2.0
173.13245	4.1
175.14819	1.1
177.12737	2.3
181.12303	1.5
187.13313	1.5
187.14870	2.0
187.61006	1.1
195.13829	2.8
203.12787	1.4
205.19510	3.0
209.15396	1.1
215.16074	1.7
215.17967	15.0
233.18999	21.9
251.20070	100.0
257.15326	0.9
262.97153	0.9
269.21112	22.8
286.63379	0.9
287.05469	4.5
287.23602	1.4
305.58063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01879	9.4
57.03438	14.1
61.02929	14.9
69.03078	2.7
69.03434	50.4
71.01373	2.9
71.04979	4.6
71.55168	2.4
73.02919	31.3
81.03410	11.5
82.60386	2.1
82.99808	3.2
83.01328	2.2
85.02909	100.0
87.04462	4.0
91.03941	3.2
94.02672	2.5
97.02896	42.1
98.97581	5.5
99.04455	9.9
101.00882	11.7
101.02378	3.1
102.02423	2.8
109.02882	8.2
111.02937	5.6
113.00871	4.4
113.75232	2.3
115.03951	3.4
116.98589	2.4
117.02852	4.5
119.01924	19.5
123.02895	2.7
126.03477	2.5
126.17549	2.7
127.03922	46.4
129.02965	4.3
131.01900	10.5
133.03380	2.5
135.02927	3.0
135.04443	2.3
138.03444	4.5
143.01901	74.9
144.03448	5.7
145.03542	3.9
145.04955	19.7
147.03935	4.1
149.94357	2.0
150.03394	5.7
153.03929	8.6
155.01889	35.3
157.03520	3.7
159.03983	4.8
161.02966	59.6
162.03134	5.1
162.04501	10.6
163.03954	5.9
167.01872	3.2
168.04504	4.5
171.03867	2.6
173.02968	54.1
174.03065	3.4
174.04463	2.7
180.04504	2.5
183.04951	3.2
185.03003	17.1
187.04715	2.5
189.05029	36.8
189.55081	4.1
191.03934	7.5
192.05576	3.4
194.07097	6.0
197.02954	3.9
198.02882	3.2
198.05579	78.9
198.55582	9.8
200.04282	2.2
203.04022	48.3
204.04169	2.4
207.06151	36.0
207.56102	2.6
215.03955	17.2
218.56862	2.8
221.05090	4.7
227.04047	2.7
233.05052	19.2
234.05560	2.3
239.04330	2.6
245.04982	5.4
251.06293	4.1
257.05002	2.6
263.06210	16.8
275.06140	18.6
287.06018	2.5
293.07318	25.6
305.07193	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	289.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	24.1
69.03417	17.2
69.65830	5.9
69.77026	12.7
69.77442	23.1
70.06590	7.5
71.04982	7.6
71.85455	6.2
72.90480	6.1
73.02894	9.1
81.04539	9.0
84.08113	7.7
85.02883	29.6
89.03897	8.8
91.05476	8.9
97.02890	16.9
98.20800	7.5
98.97589	96.4
107.04946	6.7
110.97547	27.6
112.99071	7.9
116.98618	19.8
119.01832	10.7
119.04900	12.3
124.99089	11.2
127.03927	13.9
127.05015	20.6
127.08643	10.8
128.02296	8.0
128.98598	15.5
137.06000	30.6
140.98512	6.0
144.59390	6.8
145.01695	10.0
147.04385	18.6
158.99625	16.4
163.02756	7.7
163.03883	39.7
164.04259	21.0
170.99516	7.7
176.49591	5.9
179.07288	6.6
187.02660	6.4
191.03885	16.6
201.00743	11.0
208.04935	16.9
217.05545	7.6
219.01770	39.5
226.76047	7.0
235.02762	7.6
237.02818	47.5
239.04466	6.9
289.06750	100.0
289.20419	8.0
307.07010	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	289.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67760	4.6
61.02903	4.8
69.03429	7.8
70.01316	25.2
70.01634	6.1
80.08794	6.0
81.04556	5.5
85.02900	13.1
109.07619	11.4
118.07888	5.1
119.01916	6.0
127.03919	49.1
127.05034	28.6
127.08682	50.2
164.75241	4.9
184.05844	6.2
264.26981	5.7
289.06668	100.0
289.13748	6.4
302.31982	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	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
51.08061	0.1
53.03942	0.4
53.04187	0.1
55.01871	0.3
56.96578	0.1
57.03435	0.4
59.04988	0.2
60.72149	0.1
61.02928	0.9
69.03429	1.6
69.85454	0.4
71.04975	0.3
73.02927	0.4
79.05495	0.1
81.03424	0.9
83.01322	0.1
85.02908	5.2
87.04470	0.3
89.64724	0.1
91.03951	0.4
93.07074	0.3
97.02895	1.5
98.97596	0.2
99.04459	0.3
109.02883	0.9
112.32979	0.1
114.64159	0.1
121.10189	0.3
127.03922	100.0
128.04251	0.3
137.05940	0.2
139.11212	0.2
145.04964	0.9
156.53772	0.1
157.12183	0.1
161.06003	0.1
202.96945	0.1
238.04222	0.1
271.09799	0.1
276.30557	0.1
289.09149	0.1
289.12418	0.4
299.63113	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	289.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01867	0.7
55.05514	0.3
56.96551	0.6
57.03432	0.6
57.40759	0.2
61.02920	0.8
67.05502	0.7
69.03431	1.8
69.07060	0.4
69.76920	0.8
69.77320	0.4
70.06587	0.7
71.04990	1.1
72.08157	0.4
73.02916	0.5
73.19586	0.2
79.05505	1.7
81.03422	1.3
81.07069	1.1
83.05025	0.2
84.04507	0.3
84.08105	0.3
84.96027	0.2
85.02911	5.1
85.06554	0.3
86.09686	0.7
87.04483	0.4
91.03944	0.3
91.05485	0.6
93.07059	1.5
95.08614	0.5
97.02904	1.9
97.06516	0.2
98.97589	1.3
99.04451	0.4
105.07022	0.4
107.04990	0.3
107.08573	0.2
109.02900	1.0
109.06515	1.2
110.97568	0.4
115.03957	0.3
116.98645	0.4
121.06538	0.3
121.10158	2.3
127.03922	100.0
127.07513	2.1
128.04253	0.2
128.98566	0.3
130.05000	0.2
131.04962	0.3
133.02803	0.2
135.04433	0.2
137.05994	0.8
139.11176	1.4
145.04964	0.9
145.06544	0.3
146.99666	0.2
149.09631	0.3
153.05508	0.3
157.12225	1.0
158.99669	0.3
161.06044	0.2
163.03905	0.4
163.07645	0.2
167.10674	0.7
179.07083	0.7
185.11726	0.2
199.05406	0.7
219.01735	0.6
237.02898	0.5
274.07922	0.2
289.07791	0.8
289.12698	3.5
289.20947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1071
Annotation	Asperflavin
Peak:m/z	Relative Intensity
53.03944	2.7
53.38454	1.0
55.01876	2.3
56.96555	2.0
58.55272	0.9
67.05477	2.0
68.99794	1.2
69.03429	3.3
69.07070	1.1
70.06619	1.0
71.41428	1.5
77.03928	1.1
79.05482	3.2
79.41611	0.9
81.03439	1.3
83.04975	1.0
85.02906	2.4
91.05493	7.6
93.07065	4.4
95.04958	3.1
95.08608	2.0
97.02872	2.6
98.97607	4.6
103.05475	2.4
105.07038	3.6
107.04959	5.9
109.02866	1.2
109.06563	1.1
111.04404	1.5
115.05452	2.8
116.98589	1.0
117.07029	3.9
119.04936	1.5
121.06509	15.8
123.04439	14.4
127.03888	8.0
129.06952	1.0
133.02869	1.8
133.06503	10.6
135.04427	11.8
136.05240	1.9
137.05998	8.1
139.03908	17.0
141.06967	2.2
145.06499	3.6
147.08087	1.3
151.03975	4.7
151.07553	26.5
153.05469	5.5
153.06914	1.8
154.07834	2.1
155.08560	2.1
158.99637	1.7
159.08067	1.5
161.05969	1.8
163.03928	1.9
163.07579	1.1
165.07007	2.7
167.08588	1.3
168.05693	2.5
169.06511	2.2
169.10158	2.1
173.05991	1.7
178.07813	6.9
179.08566	25.6
181.06493	1.8
182.07291	3.6
183.08113	3.7
187.07439	1.1
189.07014	5.3
197.01231	1.3
197.06013	2.4
197.09702	5.3
201.09070	1.2
206.07315	1.1
207.06230	1.5
207.08086	20.5
210.06755	8.4
211.07480	2.5
213.04109	3.6
214.06329	2.5
217.06500	2.6
218.07329	1.4
220.05150	1.3
221.06027	1.7
222.06870	0.9
223.07559	1.7
225.05498	2.1
225.09123	19.0
228.04370	1.5
228.07826	2.0
229.04996	2.2
229.08640	2.6
234.06825	1.5
235.07558	23.7
237.05638	1.2
238.06268	2.3
239.07005	4.6
241.05116	2.1
242.05803	5.3
243.06451	1.1
243.10132	6.3
253.08623	43.1
255.06546	54.2
256.07315	61.9
260.03152	6.0
271.09665	100.0
289.10641	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	289.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01859	1.2
55.05502	0.9
56.96569	5.9
57.03434	1.4
58.58107	0.4
61.02917	1.8
64.83394	0.4
67.05499	2.1
69.03426	5.6
69.07067	1.1
70.06581	2.1
71.04994	3.2
71.57068	0.7
72.08164	2.7
73.02914	1.8
73.08488	0.8
79.05511	2.8
79.89256	0.5
81.03417	2.5
81.04539	0.7
81.07044	1.7
83.04961	1.2
84.08164	0.7
84.96032	1.7
85.02912	9.2
85.06540	1.3
86.09706	1.7
87.00832	0.6
87.04468	1.3
87.11396	0.5
91.05476	1.1
93.07054	4.1
95.04987	0.7
95.08611	1.7
97.02905	6.8
97.06514	0.8
97.96751	0.5
98.97589	12.0
99.04459	0.9
100.11174	0.5
101.00779	0.6
103.05442	1.1
107.04938	0.7
107.08620	0.7
109.02863	1.7
109.06506	0.7
110.97610	2.2
111.04394	0.9
112.08792	0.6
112.99074	0.5
115.03945	0.5
116.98627	4.9
119.01826	1.1
119.04951	0.6
121.06556	0.8
121.10146	5.2
123.04475	0.6
125.05963	0.6
127.03931	30.2
127.04924	1.3
127.07590	0.7
127.08640	0.8
128.98582	2.4
129.07008	0.5
131.04938	1.4
131.08582	0.5
133.02843	1.2
134.99663	1.2
135.04437	1.1
136.06160	0.5
137.05952	3.6
139.11201	2.6
143.00179	1.1
145.04926	1.5
146.99657	1.5
147.04417	1.4
149.06021	0.7
149.09636	1.0
151.07491	0.7
157.12248	1.3
158.99677	2.5
161.01201	1.2
161.02914	0.9
161.06004	1.3
161.51624	0.5
163.03937	3.0
163.07564	0.5
164.04311	1.4
165.05585	0.6
167.10687	1.6
170.99648	1.0
174.98933	0.5
176.12395	0.6
177.00761	1.9
177.05531	0.8
179.06993	0.7
181.98779	0.6
185.01164	0.6
185.05931	0.7
185.11751	0.9
187.07683	0.7
189.00812	0.7
189.05536	1.1
191.03867	1.1
193.04480	1.0
197.07613	0.7
197.98825	0.5
199.05356	1.6
199.08038	0.8
200.04492	2.3
201.00706	1.0
208.04967	1.3
217.05417	1.1
217.08661	0.6
218.68997	0.5
219.01816	2.3
225.06918	0.8
227.05840	0.6
229.08595	0.6
237.02789	4.0
239.04248	0.6
241.03796	0.7
259.05011	1.2
261.02866	0.6
265.03845	0.8
265.06497	10.1
265.56812	1.1
271.04660	0.6
274.07025	6.8
283.04916	1.3
285.57889	1.7
289.12607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01861	0.3
55.05497	0.4
56.96564	0.5
59.06265	0.2
61.00449	0.3
67.05494	1.0
69.03436	0.3
77.03936	0.5
79.05495	0.8
81.07050	1.3
89.79666	0.2
91.05479	6.2
93.07050	10.9
95.04974	1.9
95.08611	3.2
98.21509	0.7
103.05474	6.7
105.04532	0.9
105.07018	1.0
107.08614	0.4
109.06510	2.2
109.10136	0.3
119.08623	0.3
121.06511	100.0
123.08065	1.3
133.06468	0.2
133.91573	0.2
145.10130	0.3
151.07541	3.5
164.17569	0.3
169.08607	15.0
200.07777	0.3
229.08688	0.4
245.08614	0.2
275.48956	0.2
278.75522	0.2
289.05917	0.3
289.09186	0.5
289.14713	0.3
289.17953	0.3
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
52.61274	2.3
53.03960	3.0
55.01875	3.9
55.05509	8.6
56.96556	3.4
67.05506	15.0
69.03434	7.1
69.07076	16.4
69.70509	12.3
71.04988	10.6
72.00011	2.3
77.29685	2.3
79.05500	18.1
81.07059	40.7
83.04987	16.6
83.08617	7.1
84.04503	4.6
84.08125	5.8
85.06552	6.6
91.05473	14.1
93.07047	56.2
95.04965	14.0
95.08610	38.7
97.02895	2.5
97.06535	28.4
98.20742	4.7
98.21341	6.3
98.97594	5.6
99.04462	21.9
99.38292	2.3
105.07053	28.4
107.04953	6.0
107.08608	25.8
108.19151	2.7
109.06529	30.0
109.10143	4.5
111.08092	21.0
113.05992	6.6
119.08585	20.0
121.06515	85.2
121.10139	6.7
122.06898	3.1
123.04425	4.9
123.08089	6.9
123.11708	11.5
125.06004	9.4
127.03904	3.6
127.07541	9.8
129.07045	3.3
131.08591	6.5
133.10133	16.9
135.04407	4.3
135.08066	10.8
135.11736	2.8
137.05988	6.0
139.07538	19.5
141.07048	2.3
143.07033	8.7
143.08536	5.9
145.10115	7.5
147.07988	5.1
147.11693	44.5
149.09721	3.2
149.13235	4.1
151.07579	3.3
151.11203	8.0
153.07019	3.6
155.08574	7.0
157.08626	12.6
157.10136	15.4
159.06512	15.6
161.13228	7.8
165.07001	4.5
165.12781	19.8
169.12248	19.5
171.11678	11.6
173.06000	5.4
173.09521	4.0
175.07620	3.5
175.11185	28.7
179.08636	2.8
183.08102	9.5
189.12712	21.6
193.12276	34.2
194.07047	2.7
194.57156	3.7
199.11183	24.9
201.09192	4.5
203.07567	4.7
203.57713	3.5
207.13802	17.4
211.07649	8.8
211.13278	39.7
217.12254	98.1
225.14954	2.8
229.08678	19.8
229.14314	16.3
235.13293	100.0
247.09668	3.2
253.08588	3.2
253.14355	64.2
271.06161	2.8
271.09711	5.9
289.17126	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01882	5.2
55.05499	13.3
57.03426	3.2
62.15838	2.7
67.05507	18.1
69.03427	7.4
69.07071	18.0
69.72090	18.0
71.04981	12.3
79.05502	23.9
81.06664	3.1
81.07068	45.0
83.04977	24.7
83.08598	9.3
85.06547	7.6
88.73360	2.7
90.13303	2.6
91.05479	20.3
93.07053	62.2
95.04974	15.5
95.08607	50.2
97.02889	3.0
97.06556	28.4
97.10156	9.8
98.20876	6.2
98.21408	4.1
99.04473	17.6
105.06498	3.1
105.07047	31.9
107.04958	4.9
107.08591	27.5
109.06516	27.1
109.10162	20.6
111.08087	20.8
117.07047	3.4
119.08559	18.1
121.06516	97.2
121.10122	14.1
123.04432	6.1
123.08083	5.9
123.11700	18.2
125.05986	15.9
127.07545	7.6
129.06984	10.6
131.08551	6.4
133.10162	21.8
135.04376	3.9
135.08034	10.4
135.11661	4.6
137.05946	11.5
137.13272	6.3
139.07573	21.5
141.07011	4.0
143.07036	11.1
143.08578	8.6
145.10106	6.8
146.05991	3.5
147.08092	7.7
147.11703	52.1
149.06030	15.8
151.07504	5.7
151.11160	8.3
153.06950	8.5
155.08525	6.4
157.08592	15.9
157.10088	10.2
159.06473	11.2
159.07797	3.6
161.05937	4.4
161.13268	9.3
163.03967	6.7
165.05469	9.3
165.08995	3.3
165.12788	19.0
167.07027	26.7
169.12248	19.5
171.11703	15.6
173.05995	8.4
173.09586	4.4
175.07520	12.6
175.11197	33.3
183.08067	11.1
183.11642	3.3
187.07468	5.1
189.09142	16.5
189.12700	24.4
193.08563	12.4
193.12274	35.9
197.09578	3.7
199.11223	21.9
201.09132	9.5
203.10678	4.2
207.10176	11.4
207.13803	17.0
211.13283	31.7
215.10666	10.8
217.12250	95.8
219.10239	6.7
225.10376	6.4
229.08557	13.2
229.14342	13.3
233.11711	8.3
235.13306	100.0
253.08597	3.5
253.14384	59.0
271.09546	4.5
271.17053	33.0
289.06573	3.2
289.10730	3.2
289.18015	31.8
289.24347	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
51.88261	0.7
53.03943	2.5
55.01864	1.5
55.05512	15.1
55.96991	0.7
56.96570	1.3
57.03430	3.2
57.07067	1.1
59.04997	1.7
64.74734	0.8
65.03924	2.8
66.48098	0.8
67.05510	27.9
69.06731	0.8
69.07076	12.7
69.59984	3.2
69.60390	1.7
71.17416	0.8
77.03910	1.4
77.74557	0.7
79.05498	24.1
81.07063	27.6
83.04971	3.2
83.08622	8.4
85.06536	2.5
87.08078	1.0
91.05488	71.4
92.05820	1.5
93.06471	1.3
93.07051	23.0
95.04951	3.0
95.08057	1.2
95.08617	19.6
97.06528	3.0
97.10184	4.3
98.20791	1.6
99.04447	1.5
99.08102	0.9
101.06016	0.9
103.05463	1.9
105.04479	1.3
105.07039	58.8
107.04947	1.6
107.07960	1.2
107.08601	13.7
109.06497	1.9
109.10152	6.0
111.04409	1.4
111.08070	1.3
115.05418	1.3
117.07020	14.1
119.08588	54.6
121.06496	2.2
121.10151	11.5
123.08047	1.6
123.11693	1.2
125.09602	2.4
127.03911	2.9
128.06229	1.0
129.07028	3.8
129.14488	1.0
131.08582	26.1
133.06454	1.0
133.10138	41.0
135.08058	2.9
135.11707	6.0
137.09569	1.4
141.06952	1.2
143.08594	4.4
145.10130	22.5
146.10822	0.9
147.08044	1.8
147.11697	24.8
149.09605	2.3
149.13266	1.4
153.05470	1.6
154.94130	1.3
155.08569	2.9
157.10149	8.2
159.08018	2.6
159.10443	1.1
159.11702	15.4
161.09622	3.6
161.13271	12.8
163.11166	2.9
165.12727	0.8
168.78680	1.0
169.10152	2.7
171.11696	7.9
173.09653	1.1
173.13275	10.4
175.07524	0.9
175.11166	3.7
175.14807	2.4
177.12666	2.1
183.11635	3.8
183.61238	0.8
185.13290	2.3
187.11086	1.0
187.14854	1.7
189.12743	1.8
191.14262	1.1
193.12248	1.2
197.13254	3.3
201.12720	1.4
205.15921	0.8
207.13887	0.9
211.14838	3.4
213.16376	0.9
215.14297	2.6
215.18013	2.2
229.15854	2.2
229.19516	0.9
233.15234	1.8
239.17969	10.7
243.17476	1.9
257.19025	18.9
261.18506	1.7
271.16830	2.5
289.18130	9.5
289.21613	100.0
290.22073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2164
Annotation	Normethandrolone
Peak:m/z	Relative Intensity
50.90648	3.4
53.05233	3.0
55.05527	18.5
56.96562	3.3
57.07061	8.1
67.05515	17.9
69.03413	3.9
69.07074	47.4
69.54031	21.5
71.08630	7.6
79.05485	9.5
81.07061	30.3
83.04975	25.3
83.08629	11.3
85.10191	5.8
91.05486	24.2
93.07066	33.1
95.04969	13.2
95.08617	45.1
97.06527	12.3
98.21496	4.0
100.55169	3.7
101.06020	10.2
105.07021	27.7
107.08609	26.1
109.06535	7.3
109.10162	23.7
115.07534	5.1
117.07037	9.5
119.08587	54.9
121.06532	7.0
121.10149	17.2
123.08077	5.3
123.11724	33.5
127.03916	12.1
129.07013	6.8
131.08632	15.9
133.10153	37.2
135.11679	5.8
137.09641	6.0
143.08572	13.4
145.10150	35.7
147.08028	4.0
147.11687	23.5
149.09590	5.6
149.13280	3.6
157.10114	13.6
158.10892	3.8
159.11678	24.9
161.13269	34.0
165.09128	10.7
171.11731	12.0
173.13249	16.5
175.14853	57.0
176.15620	3.8
183.11729	8.2
185.13203	9.7
187.11113	6.4
187.14822	10.6
189.12811	6.4
189.16472	4.4
194.68512	3.5
197.13179	8.3
201.16339	16.9
210.49956	3.3
213.16379	8.0
213.86789	3.4
215.14302	8.0
215.17917	15.2
227.18011	7.3
243.21121	24.3
245.19225	4.4
253.19476	5.3
271.20551	28.8
289.18365	5.3
289.21655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2374
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
52.18055	9.0
53.94634	11.1
54.85333	9.1
55.05517	53.5
57.07066	19.5
59.25615	7.9
67.05511	48.1
69.07075	100.0
70.81917	14.9
70.82268	22.4
71.79848	9.0
75.60984	9.7
79.05482	23.9
81.07066	74.2
83.08624	63.1
88.72561	8.7
91.05473	22.0
93.07034	33.4
95.08607	68.7
97.06548	15.2
97.10179	76.0
101.73505	9.6
105.07043	28.6
107.08558	22.1
109.10147	38.0
109.63985	9.3
111.08105	11.9
111.11712	24.3
119.08559	22.8
121.06537	12.9
121.10128	29.5
123.11669	10.8
125.13264	9.5
127.11932	11.2
133.10144	22.5
135.11682	23.2
147.11714	23.5
153.12779	14.4
161.13249	14.5
168.04732	9.3
217.19452	50.0
235.20576	50.5
253.21616	32.6
289.17932	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	289.2526
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03941	6.7
55.01853	8.1
55.05512	46.3
56.96572	4.0
57.03431	19.2
57.07070	15.8
67.05181	3.1
67.05508	45.1
69.03416	5.7
69.07072	40.0
69.65710	6.7
69.66116	14.5
70.06587	4.0
71.04995	30.5
71.08633	3.9
79.05137	3.5
79.05492	46.9
81.03407	6.3
81.07055	91.4
83.04984	35.2
83.08617	21.1
84.04473	5.4
85.06529	9.1
88.07631	3.8
91.04884	4.3
91.05477	53.2
93.06471	5.8
93.07046	100.0
95.04960	7.4
95.08602	84.8
97.06525	9.2
97.10144	9.1
99.04465	8.1
99.08095	7.3
101.00870	7.4
103.05431	4.6
105.07027	78.4
107.04955	18.2
107.08593	94.3
109.06509	19.2
109.10156	70.3
111.04430	11.6
111.11711	4.6
115.05389	5.5
117.06981	15.4
119.01927	13.0
119.08584	71.0
121.06505	13.7
121.10143	82.0
123.08026	5.7
123.11697	31.0
125.05952	7.8
125.09630	3.6
127.03941	12.2
127.11206	41.4
128.06259	4.4
129.06992	9.0
131.08585	24.1
132.37860	3.1
133.06493	9.3
133.10121	54.4
135.08011	11.3
135.11696	37.6
137.05965	5.5
137.09599	14.8
137.13219	7.6
139.11182	6.3
141.06923	4.4
141.12749	4.4
143.01891	4.7
143.08554	8.0
145.06482	6.5
145.10133	32.7
147.08000	9.7
147.11696	51.2
149.05969	4.7
149.09596	6.2
149.13266	62.8
151.07553	5.2
151.11194	5.8
153.12823	6.9
155.08533	4.1
157.10138	11.1
159.08061	11.6
159.11655	28.3
161.02948	9.4
161.09610	13.9
161.13243	27.3
163.11166	6.7
163.14804	15.2
166.42520	3.4
169.10027	5.1
171.11652	6.1
173.09598	7.5
173.13271	25.9
175.11261	5.1
175.14816	12.9
177.12729	8.1
177.16327	6.4
185.13283	4.5
187.00848	8.2
187.11234	5.4
187.14812	25.6
187.78326	3.2
189.16492	7.4
191.14276	5.2
191.17914	9.5
193.15836	4.9
197.13120	4.5
201.16383	14.7
203.17961	78.7
205.15860	12.4
207.13768	3.6
215.14314	5.8
215.18004	16.9
217.19519	6.3
219.17403	4.2
225.16252	4.3
229.01961	4.2
229.19420	7.0
233.15347	13.4
243.17313	5.1
243.21130	4.9
261.18619	19.3
271.16861	13.1
271.24268	47.7
289.18173	72.5
289.21576	25.7
289.25220	78.4
289.29138	21.4
290.08606	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	289.2528
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
52.93411	2.6
53.03936	4.7
55.05513	28.4
57.07055	8.6
59.04984	3.1
66.18983	2.6
67.05237	2.4
67.05513	27.7
69.06728	4.7
69.07072	47.4
71.04999	34.1
71.56731	4.2
79.05506	26.1
81.07066	100.0
83.04967	4.8
83.08631	17.5
83.50741	2.8
85.06503	5.1
91.05482	17.4
93.06480	4.7
93.07052	94.8
95.04985	4.0
95.08613	73.4
97.06509	3.7
97.10152	10.1
99.08079	8.4
103.05482	4.0
105.07037	45.2
107.08603	93.1
109.10165	80.7
109.10915	3.8
111.11727	7.0
113.09669	3.7
117.07062	3.1
119.07789	4.0
119.08587	51.6
121.06474	6.3
121.09322	5.3
121.10148	80.5
123.08099	5.2
123.11724	25.7
125.09626	3.9
127.11204	58.2
131.08559	11.5
133.10153	33.1
135.11693	45.5
137.13223	5.4
139.11176	6.3
143.08553	3.3
145.10138	22.2
147.08008	3.4
147.11700	42.8
149.13274	87.7
151.11174	2.6
153.12701	5.1
159.08078	3.8
159.11696	23.8
161.13284	19.4
163.14848	24.9
165.12761	4.0
171.11662	2.7
173.13255	23.4
175.14819	17.8
177.16377	6.9
177.59729	2.5
179.14297	5.0
187.14841	35.8
189.16367	8.6
191.17970	13.0
193.15880	8.7
201.16347	13.3
203.17957	86.0
215.17993	14.8
217.19511	5.4
219.17461	4.7
229.19481	5.3
271.17007	6.5
271.24228	55.7
289.18076	14.3
289.21951	5.8
289.25247	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03948	4.6
55.05510	17.0
56.96560	3.2
57.07070	4.7
67.05185	1.9
67.05509	28.9
69.07072	38.6
71.00867	3.8
71.04997	39.0
71.08630	2.2
79.05499	28.3
81.07061	100.0
83.08630	12.7
91.05489	18.6
93.07047	87.1
95.04968	4.9
95.08614	55.3
97.10165	5.3
99.08099	7.7
100.01083	2.3
100.14167	1.9
105.07034	41.8
107.08600	86.3
109.06507	3.3
109.10162	72.2
111.08052	2.2
111.11729	6.3
113.09648	2.5
117.06993	3.1
119.01877	4.4
119.08583	40.3
121.06533	6.2
121.10153	77.6
123.11732	24.5
127.03929	2.6
127.11201	56.6
131.08595	11.2
133.10143	34.9
135.11703	30.5
137.13298	3.5
141.12758	3.4
143.01881	3.4
143.08545	2.9
144.09315	3.2
145.10123	16.3
147.08102	2.8
147.10641	3.1
147.11703	37.1
149.09541	2.0
149.13266	90.4
151.07518	2.4
153.12747	5.2
157.10091	2.8
159.08031	2.5
159.11731	22.8
161.03033	3.3
161.09683	2.2
161.13281	21.1
163.14833	19.3
165.12805	3.1
171.11719	2.5
173.13251	18.8
175.14828	15.4
177.16483	4.7
179.14281	3.3
181.15967	2.4
187.14833	30.6
189.16411	6.5
191.17964	13.5
193.15831	4.0
195.17435	2.5
197.18907	2.4
201.16403	14.1
203.17972	71.9
207.17548	2.6
215.17914	12.1
217.19463	2.7
229.19467	5.4
233.18974	2.6
243.20987	2.3
271.17059	2.3
271.24182	49.6
289.14816	3.0
289.18097	7.5
289.21960	3.2
289.25259	67.6
289.28403	3.2
290.26294	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.4
53.03940	0.7
55.05516	2.2
55.24952	0.4
57.03426	0.4
57.07075	0.8
58.99590	2.6
59.05016	0.4
59.19218	0.4
61.01136	0.5
67.05508	2.5
69.03437	3.0
69.07063	1.2
70.02942	0.4
70.99516	0.9
70.99856	0.5
71.04994	8.1
74.00670	2.2
75.02715	0.8
76.02249	0.5
79.05507	4.5
81.07063	12.3
83.04994	2.5
83.08630	0.5
84.04511	6.2
85.01131	1.0
85.02897	1.4
85.06541	0.9
86.00667	3.9
86.99066	0.9
87.02706	3.1
88.02222	7.0
88.03992	4.8
91.05473	1.5
93.07035	3.0
94.06603	0.7
95.04965	1.0
95.08611	1.8
95.69241	0.4
96.04514	0.5
97.01132	1.6
97.02895	0.5
97.06516	1.7
98.91386	0.4
99.02692	2.3
99.08100	7.9
100.02247	0.7
101.00623	0.6
101.04258	0.8
102.03749	1.4
103.02164	0.6
103.03970	1.0
105.00065	0.8
105.07058	3.0
107.04996	0.4
107.08602	5.2
109.06537	3.3
109.10161	7.8
111.02651	2.2
111.08092	1.0
113.00549	0.5
113.04232	4.5
113.05975	0.6
114.03757	1.6
115.02161	7.0
119.01634	1.8
119.04779	0.4
121.06519	0.4
121.10141	2.6
122.02738	2.2
123.02641	0.5
123.08067	0.9
123.11715	7.0
125.04192	1.0
125.09631	2.2
126.05521	2.2
127.02154	1.0
127.11215	2.4
128.05318	9.8
129.03709	2.3
132.01166	4.8
132.99544	1.5
133.10126	2.9
134.02715	2.5
135.11664	0.6
139.05746	1.0
139.11215	3.0
140.05296	10.0
141.02649	0.6
141.03708	10.9
146.02716	0.6
151.11189	12.5
153.12743	0.7
155.08902	1.2
165.07367	1.3
169.03218	0.8
169.12254	9.0
174.04356	0.7
174.05865	12.7
175.04230	2.2
183.08447	2.6
186.05861	27.1
187.04260	13.5
201.07722	0.3
201.09454	7.0
208.06419	0.8
209.09979	1.4
226.12607	7.7
227.11023	3.7
254.12256	2.6
255.10461	2.4
272.13165	100.0
273.11441	5.8
290.08722	1.7
290.14270	10.3
297.65402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1753
Annotation	Mesembrine
Peak:m/z	Relative Intensity
50.95379	0.7
53.03926	0.6
55.05508	1.4
56.05040	3.0
56.96567	6.3
57.07073	2.7
58.06583	1.6
58.11421	0.6
65.03929	1.3
67.05506	8.9
69.07075	4.3
69.44863	0.6
70.79505	1.8
74.06072	2.5
79.05491	2.2
81.07059	1.5
82.06588	3.3
82.50566	0.7
83.04996	0.7
83.08614	1.0
88.07631	11.6
93.03397	1.7
93.07049	3.0
95.08589	1.7
96.11093	0.6
97.06548	1.6
98.97523	0.8
102.56606	0.7
107.08578	3.0
109.10155	1.0
110.06048	35.0
111.04448	7.9
115.88764	0.6
117.67306	0.6
118.08656	2.3
122.08151	2.2
123.04395	1.9
133.10106	0.8
135.11671	3.2
137.05994	3.4
138.05510	100.0
141.10379	0.6
153.12799	0.7
163.07518	1.1
199.07767	0.7
211.54614	0.7
226.11166	17.5
228.22963	0.8
231.50896	0.7
242.24811	12.7
244.12207	8.0
249.12712	1.3
267.13776	2.6
290.17603	6.6
290.26892	39.8
290.29443	2.1
291.08649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.1
56.96563	48.6
57.03430	9.5
63.37906	5.0
67.05499	13.3
69.03429	17.4
69.07045	5.4
69.64589	29.6
70.06583	13.1
71.04996	18.1
72.08163	12.9
74.06827	4.7
75.14889	5.0
75.79420	4.0
79.05482	12.2
81.03422	7.6
81.07059	19.2
83.04993	7.2
84.04503	5.7
84.96011	8.1
85.02894	32.0
85.06549	6.9
86.09721	11.9
91.05494	11.4
93.07057	19.9
95.08607	10.0
97.02896	24.4
97.03464	4.3
98.96945	6.1
98.97591	100.0
98.98510	7.8
99.05595	4.6
105.07044	6.7
107.08607	10.4
109.06543	7.3
109.10153	8.6
110.97559	8.8
111.04455	17.7
111.08094	12.2
112.99136	8.3
116.98620	46.7
119.04987	6.9
119.08591	5.2
121.06517	6.7
123.04436	7.1
123.08092	4.6
123.11762	8.6
124.99142	8.1
127.03925	19.9
128.98619	6.2
129.04462	10.3
129.05493	26.5
129.09119	18.9
134.99631	11.9
135.04446	6.3
135.08018	6.0
135.11732	5.3
137.05991	25.9
139.03923	6.8
140.98601	5.2
143.00197	27.1
146.99611	6.8
147.04390	11.3
149.05939	5.3
151.07559	6.8
151.11214	9.2
158.99681	16.4
161.01259	20.0
163.03925	20.2
170.99605	12.4
177.00670	23.6
185.01352	5.9
188.14714	7.4
189.00757	15.0
201.00783	10.8
217.08401	4.8
219.01791	19.1
221.03468	5.5
227.11035	5.0
229.00191	6.1
231.01848	6.0
237.02863	14.0
239.04459	4.8
249.02803	18.0
254.62642	4.9
263.13907	9.4
273.07660	5.9
273.11688	8.7
282.08728	5.7
290.58542	8.4
291.00995	8.6
291.04147	8.2
291.08157	7.7
291.10446	15.0
291.13321	28.5
291.19473	15.2
309.05167	7.0
309.08487	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	291.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58367	0.3
55.05517	0.6
56.96568	20.7
57.20007	0.3
61.01152	0.8
69.03439	0.4
69.07061	1.2
70.06585	0.4
71.57583	0.7
71.95259	1.1
72.08144	1.4
72.96043	0.5
79.05499	0.6
80.48280	0.4
81.03415	0.8
81.07058	0.8
83.04957	0.3
84.08146	4.4
84.96033	2.2
85.02915	0.6
89.03880	0.3
91.05480	1.3
93.07048	0.5
97.02884	0.4
97.96846	0.4
98.97587	100.0
105.03395	0.5
107.08588	0.5
109.10135	0.6
110.97580	2.7
112.99137	3.4
114.10314	0.8
115.08669	0.6
116.98626	35.4
119.04933	0.4
122.06089	0.4
122.97620	1.7
124.99126	7.3
128.98593	2.2
129.07037	0.6
131.00179	2.7
132.08426	4.6
133.02863	3.9
134.06024	1.0
134.99669	8.5
137.02368	4.9
137.03374	0.3
137.05978	0.8
138.97061	1.0
140.00174	2.3
140.98592	4.7
143.00169	20.2
146.99707	0.6
147.04420	1.8
149.01236	0.9
151.03911	0.4
152.98563	0.7
156.98090	2.5
157.06508	0.6
158.99663	8.4
161.01228	16.2
166.01765	0.6
170.99658	12.1
173.01254	1.6
174.99127	2.4
175.07674	0.4
177.00714	8.5
177.05547	1.2
179.02330	2.4
182.99670	12.2
184.02856	0.8
185.01285	1.0
188.09488	1.1
189.00720	16.3
191.02278	1.0
195.01796	1.4
199.07599	0.4
201.00706	24.7
203.08582	1.3
203.11861	0.7
204.10181	3.5
207.01787	4.2
209.55838	0.6
212.02370	0.6
213.00732	1.1
217.13416	1.5
219.01785	20.5
220.08949	0.5
222.11574	0.3
224.02304	0.7
231.01756	3.8
231.08063	1.3
232.09102	0.4
237.02878	1.4
242.03458	1.0
245.08000	0.8
245.12875	2.3
246.12427	0.8
248.08325	1.9
249.02834	25.8
258.05353	0.7
260.08340	0.4
263.10641	1.1
263.15027	4.6
267.03903	7.1
272.04446	1.8
273.05023	0.5
273.07520	1.8
273.12375	2.0
276.07928	1.1
291.03873	1.0
291.10114	4.7
291.13983	4.2
291.17578	1.0
291.23248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
56.96569	37.1
57.07080	4.7
58.06593	1.1
67.05514	1.0
69.07057	1.1
70.06594	9.2
71.01488	1.1
71.06944	1.0
71.08641	1.2
71.95262	2.0
79.05492	1.8
80.58739	0.5
81.07063	2.8
83.04961	0.6
84.96039	10.9
88.07633	12.8
89.07962	1.0
91.05472	1.1
93.07045	1.4
95.04975	1.1
95.08621	1.1
97.96819	0.8
98.97589	100.0
100.99151	0.6
102.09184	7.0
102.97083	0.7
103.09512	0.8
105.03394	1.9
105.07028	1.3
107.04956	0.8
107.08571	1.0
109.06519	1.7
109.10150	0.9
109.46491	0.5
110.51728	0.5
110.97577	60.3
112.99136	18.7
112.99933	0.8
116.98629	29.4
117.07053	0.9
119.00185	0.7
119.08601	0.9
121.06508	1.2
121.10157	0.5
124.99110	2.7
126.97092	2.4
127.00677	0.9
128.98613	42.6
129.07011	0.8
131.00174	14.2
131.08565	1.0
133.10168	0.9
134.99672	4.6
135.08081	1.2
136.99080	1.3
140.00171	4.0
140.98587	2.9
143.00172	6.5
143.08667	0.8
143.88225	0.6
144.98100	4.3
145.10135	0.6
146.99667	13.7
147.08098	0.6
149.01219	3.1
151.11229	0.7
152.00206	3.0
152.98592	1.0
154.01761	1.7
155.00175	4.9
158.01248	1.0
158.99669	8.2
159.13429	0.6
161.01244	4.1
161.09738	0.7
162.99138	2.4
163.11165	0.5
164.76744	0.5
165.00757	1.2
170.01262	1.6
170.99663	39.3
173.01242	8.2
174.99115	1.2
177.00711	6.8
182.99670	4.8
186.58115	0.6
186.99147	1.5
189.00723	75.6
191.02377	3.3
193.00215	0.6
199.07623	0.6
201.00700	5.7
207.01772	13.1
212.02341	7.4
213.00749	4.2
219.01753	4.6
225.02910	0.6
228.23228	20.6
229.23578	8.0
230.03261	1.2
231.01776	14.6
235.43697	0.5
242.03278	0.7
244.60732	0.5
249.02844	21.6
267.03900	6.5
272.04465	2.4
272.25797	1.4
273.18454	2.1
278.25372	0.5
290.05310	0.6
290.26913	38.1
291.03824	1.6
291.19699	4.4
291.27231	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	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76835	2.9
51.68515	3.1
55.01875	5.5
56.96569	76.5
57.03426	8.5
60.06264	2.8
61.02929	9.6
64.40401	3.1
67.05541	4.0
69.03433	22.4
70.06590	24.2
71.04995	10.9
71.43215	7.0
71.95265	3.5
72.08171	8.6
73.02930	9.0
79.05524	6.5
80.63842	3.2
81.03428	10.5
81.07065	12.3
83.04968	8.3
83.32257	3.6
84.04508	12.0
84.08174	4.6
84.96043	10.5
85.02911	46.7
86.06070	4.0
87.04471	5.9
91.05484	14.8
93.07066	7.1
95.04966	6.3
95.08672	3.5
97.02907	24.5
98.97591	100.0
99.04482	9.9
101.00861	15.9
107.04951	5.5
107.08611	3.7
109.02887	5.0
109.06518	6.9
109.10159	3.8
110.09673	4.0
110.97583	10.3
112.99123	5.3
114.05532	9.8
116.07102	9.3
116.98609	32.4
119.01944	30.8
119.04984	5.8
121.01722	3.6
121.06532	15.5
124.99136	25.7
127.00683	6.7
127.03937	11.8
128.07100	8.8
128.98640	12.5
129.03137	4.2
129.05574	5.4
131.00183	5.9
131.01903	8.5
131.05457	5.2
133.03453	8.4
134.99670	8.0
135.04352	4.5
137.06021	28.3
138.06306	4.6
138.09154	4.1
142.04991	6.2
143.00166	39.7
143.01941	11.0
144.13869	4.8
145.01743	3.5
145.03465	10.6
145.04919	6.8
146.99718	5.0
147.03264	6.3
147.04356	7.9
148.04874	4.8
152.11571	4.5
152.98630	7.4
155.01930	7.7
157.03503	11.8
158.99725	19.0
159.03226	4.7
159.05049	5.5
161.01259	29.9
161.02950	12.7
163.02670	3.5
163.03900	4.2
163.05283	4.8
167.00221	7.6
169.01685	6.6
170.99663	28.0
171.01236	6.5
173.01305	4.0
173.02925	9.6
174.11354	6.7
175.00305	4.6
175.02351	5.4
175.04567	6.6
175.06039	4.9
177.00737	15.0
179.02342	4.5
184.05852	6.6
185.01227	20.7
186.13223	3.9
187.02844	8.0
187.04456	8.4
187.06178	4.7
189.00732	25.9
189.02455	9.2
189.04297	6.3
191.04021	5.0
192.04660	8.7
194.07155	5.8
201.00682	4.4
201.05206	10.6
201.06900	6.0
202.06015	6.3
203.02296	14.6
203.04007	5.7
203.05756	3.7
205.00208	4.6
205.05568	6.8
205.07407	4.6
206.95792	3.8
207.01765	6.1
207.05190	4.8
213.00739	18.5
213.06259	5.0
219.01820	10.6
219.05222	5.1
221.06903	4.5
223.01337	3.9
223.04742	4.0
223.06693	18.8
231.01765	22.9
237.02844	5.3
239.04460	3.9
241.07919	5.3
249.02771	28.7
255.13351	4.8
256.07114	5.9
259.12921	7.9
264.06833	4.1
265.07574	4.4
267.03888	19.5
270.06799	6.4
273.02859	10.0
273.06079	13.2
273.13614	23.2
277.04004	4.3
279.07343	12.4
279.57788	4.5
284.16934	3.5
285.05048	6.1
291.03961	33.6
291.08469	52.3
291.13306	8.4
309.04956	36.0
309.08643	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	291.0864
Annotation	Altenusin
Peak:m/z	Relative Intensity
53.08493	1.1
53.70497	1.3
55.01862	1.4
55.05513	1.4
65.03947	9.8
67.05513	5.9
67.08858	1.1
69.03435	7.2
69.32256	3.3
69.32668	6.1
79.05450	2.0
81.03401	1.9
83.04967	4.3
89.03925	11.0
91.05483	1.4
93.03403	16.1
95.04935	4.4
95.08627	1.5
97.02895	18.1
98.20695	2.7
98.97527	1.7
103.05441	2.0
105.07040	2.5
107.04948	5.0
108.90216	1.2
109.02875	4.3
110.03639	5.4
111.04444	4.8
115.05443	4.5
117.03391	22.5
121.02866	5.9
123.04414	4.1
124.05228	8.7
125.06031	6.1
128.06244	11.8
129.07018	43.0
131.04958	2.6
135.04428	14.0
137.05986	4.1
139.03871	5.6
139.05444	9.6
141.07008	11.7
143.04955	2.0
144.05646	1.2
145.01787	2.3
145.02863	40.4
145.06436	3.6
147.04391	5.0
149.02296	5.3
149.05948	5.2
151.03932	16.2
155.04912	2.6
156.05682	2.7
157.05232	2.8
157.06508	54.0
161.05978	5.9
163.03920	83.8
163.07584	2.3
167.03398	3.4
167.04898	15.3
169.06494	14.4
170.70377	1.2
171.04317	1.4
171.08070	1.7
173.05905	3.6
174.06744	5.0
175.07541	4.2
175.93069	1.1
177.05487	47.5
183.04355	2.6
184.05173	4.0
185.05983	18.9
187.07574	8.7
188.08327	11.0
189.05522	7.4
189.09116	41.9
195.04356	4.8
197.05858	1.4
199.05795	2.1
199.07559	29.1
200.04668	2.8
201.09125	3.6
202.06114	2.1
203.07002	5.5
207.06447	4.2
212.04657	4.1
213.05487	9.4
214.06233	2.9
215.07043	8.9
217.05124	2.5
217.08618	37.9
227.07051	27.6
231.08134	2.6
245.08118	96.6
248.08342	3.4
255.06432	3.3
273.07568	16.3
276.07458	2.2
291.08585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.05516	1.8
56.96561	2.2
57.00537	1.6
59.04968	2.1
65.03937	12.2
67.05498	4.5
69.03423	4.1
69.31306	9.8
69.31736	5.8
69.78864	1.7
71.04957	1.9
79.05494	2.9
81.03412	2.7
81.07056	2.2
83.04962	5.8
85.02884	1.8
86.09669	2.8
86.85462	1.6
89.03921	7.4
91.05476	3.8
91.69727	1.8
93.03416	16.3
93.07031	2.8
95.04974	4.1
95.08578	1.9
97.02897	15.0
98.20753	3.2
98.24503	1.5
98.97588	13.5
103.05482	1.6
105.07036	4.4
107.04946	3.0
107.08630	2.0
109.02883	5.3
110.03658	5.4
110.92927	1.6
111.04446	5.0
115.05483	5.8
116.98672	3.2
117.03394	11.8
121.02847	4.8
121.27402	1.5
123.04407	2.7
124.05179	7.3
125.05997	7.8
128.06221	10.8
129.05548	2.1
129.07007	49.1
131.04955	4.2
131.08565	1.5
132.10208	1.9
132.19031	1.8
135.04416	11.3
137.05972	6.2
139.03874	4.7
139.05449	5.2
141.07013	13.8
144.05682	2.0
145.02843	19.1
145.06476	5.0
147.04358	6.8
149.02332	2.5
149.05925	4.1
151.03926	19.9
152.06250	1.9
153.06972	3.1
155.04921	3.2
155.06085	1.7
157.06500	63.1
158.07213	3.2
161.05972	7.3
163.03912	66.2
167.03506	2.9
167.04936	13.5
169.06462	13.9
169.40715	2.2
173.05968	2.7
174.06778	3.9
175.07581	3.4
177.05487	21.5
183.04494	2.3
184.05199	5.6
185.06001	20.7
187.03830	2.7
187.07533	12.1
188.08333	14.5
189.05478	10.0
189.09109	37.6
191.08589	2.1
195.04454	5.0
197.06009	2.5
199.07538	34.1
200.04659	2.4
201.00684	3.6
201.09071	4.3
202.06195	2.2
202.07838	8.7
203.06950	4.3
203.08568	17.3
205.06505	4.6
207.06503	4.2
212.04733	2.3
213.05389	10.8
214.06274	4.0
215.07037	9.5
217.05016	3.6
217.08580	40.6
219.08011	6.5
220.08806	12.3
227.07031	30.2
231.08102	25.9
232.08885	6.3
233.06021	2.4
245.08092	100.0
247.07553	4.2
248.08339	39.3
255.06537	4.9
259.07608	10.8
260.08298	6.7
263.07004	1.6
263.07956	2.2
263.10696	20.9
273.07599	19.5
273.11179	5.8
276.07797	23.4
291.09897	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0865
Annotation	Altenusin
Peak:m/z	Relative Intensity
53.03952	0.7
54.87138	0.6
55.01885	2.4
65.03951	12.0
67.05499	6.2
69.03449	1.6
70.00199	3.2
79.05505	1.3
81.03433	1.9
81.07069	1.1
83.05004	1.6
85.24292	0.7
91.05495	1.8
93.03409	15.4
93.07082	1.0
95.01354	0.9
95.04979	5.7
95.08636	1.7
97.02895	13.9
98.21458	1.1
98.97601	1.5
103.05511	1.4
105.03430	0.8
105.07053	1.8
107.04984	0.8
109.02895	3.0
110.03661	3.5
111.04456	2.7
115.05456	5.2
117.03399	2.0
117.07057	0.9
119.04963	0.9
119.08604	0.8
121.02882	7.3
123.04475	2.2
124.05215	7.1
125.06007	7.5
127.05386	0.8
128.06213	10.3
128.07094	0.8
129.07013	43.1
131.04951	2.6
131.08578	1.5
132.20316	0.8
137.05960	3.7
137.13219	0.8
139.03900	3.8
139.05434	6.6
141.06996	13.7
143.04910	1.7
143.08574	0.9
144.05667	0.8
145.02867	3.4
145.06470	2.0
146.03600	0.7
147.04433	5.2
149.02292	3.6
151.03915	15.5
151.07426	0.8
155.04909	1.7
155.06044	1.7
156.05724	3.1
157.06502	52.9
158.07277	1.6
159.08066	2.0
160.05168	1.9
161.05983	5.0
161.09576	1.0
163.03946	1.0
163.07578	2.0
167.03412	3.8
167.04950	14.0
168.05710	1.3
169.06503	13.1
171.04411	1.7
171.08031	1.4
172.05222	2.3
173.05972	3.6
173.78893	0.8
174.06740	6.6
175.07567	3.1
177.05504	6.8
181.06331	0.8
183.04433	1.7
184.05206	4.5
185.05986	21.1
186.06783	1.6
187.07578	8.6
188.04643	0.8
188.08350	10.7
189.05508	9.8
189.09114	43.3
191.07025	1.3
195.04417	4.1
197.05966	2.9
199.07556	29.3
200.04727	3.0
201.09200	3.6
202.06276	1.9
203.07002	4.0
207.06520	4.0
212.04706	3.3
213.05464	8.4
214.06319	2.9
215.07034	9.5
217.08623	40.8
223.03877	1.3
227.07040	27.7
229.08629	2.1
231.06287	0.9
231.08273	1.3
233.08086	1.0
235.78705	0.7
239.21370	0.8
241.05127	0.7
245.08107	100.0
246.08522	1.1
248.08295	0.8
255.06650	3.4
273.07611	16.8
291.08618	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	Gerfelin
Peak:m/z	Relative Intensity
51.99770	1.0
53.03943	1.3
55.01871	2.2
55.05513	2.5
55.19662	1.1
56.05025	1.2
56.96555	4.4
57.03426	1.4
57.07067	3.2
58.06578	1.3
65.03664	1.0
65.03947	13.1
67.05502	9.5
69.03422	1.5
69.07055	2.4
70.40388	3.0
74.06074	1.4
79.05486	3.3
81.03396	1.9
81.07050	3.2
83.04962	1.6
88.07638	7.2
89.07926	1.0
89.12626	1.0
91.05486	5.2
93.03409	14.8
93.07007	3.5
95.04960	5.4
95.08588	2.9
97.02889	13.6
98.97560	4.9
98.98461	1.8
103.05446	1.9
105.07050	3.7
107.04947	1.8
107.08593	2.9
109.02866	2.6
109.06512	2.4
109.10152	3.1
110.03656	3.3
111.04414	2.0
115.05468	3.8
116.98642	2.0
117.03413	1.4
119.03997	1.1
119.08574	2.1
121.02872	4.5
121.06510	1.5
121.10164	2.6
123.04469	2.3
124.05183	6.6
125.05992	7.0
125.09669	1.2
128.06219	11.1
129.07019	38.5
131.04939	2.5
131.08568	2.1
133.06450	1.4
133.10074	1.2
135.08058	1.7
135.11670	1.4
137.05974	3.5
139.03918	6.3
139.05426	6.1
141.06987	12.8
143.04881	2.1
143.08548	1.3
145.02841	3.5
145.06499	3.4
145.10121	1.2
146.07269	2.0
149.02327	4.2
151.03903	16.1
151.07637	1.2
155.04866	2.5
155.06018	1.7
156.05717	1.5
157.06499	52.2
158.07318	1.2
159.08086	1.6
161.05991	4.4
163.07465	2.1
167.03415	5.3
167.04930	12.5
169.06471	11.7
171.08061	1.8
172.05188	1.9
173.05936	3.2
173.66698	1.1
174.06734	4.0
175.07596	3.0
177.05469	6.0
183.04410	1.9
184.05156	4.3
185.05981	18.6
187.07562	8.0
188.08328	12.4
189.00775	1.1
189.05486	6.9
189.09113	33.5
192.52309	1.1
195.04430	4.5
197.05972	2.1
199.07549	24.9
200.04567	2.3
201.09122	3.3
202.06326	2.1
203.07022	3.6
206.05429	1.1
207.06541	4.2
212.04732	2.5
213.05441	8.7
214.06299	3.2
215.07016	9.0
217.08603	38.6
227.07050	26.4
227.09285	0.9
229.08711	1.7
242.24753	2.3
243.25143	7.6
245.08105	96.9
255.06570	3.2
273.07626	15.1
273.18546	3.1
284.75220	1.0
290.26895	4.6
291.08624	100.0
291.19510	8.9
291.22736	1.7
291.23361	1.5
291.27225	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	291.0866
Annotation	Gerfelin
Peak:m/z	Relative Intensity
53.08383	1.0
55.01867	2.5
55.05507	1.5
56.96563	2.9
61.61801	1.0
65.03947	11.6
67.05512	8.8
69.03422	3.7
70.06593	1.2
71.58265	1.1
72.08158	1.8
79.05505	2.5
81.03399	2.4
81.07036	3.1
83.04958	1.4
89.69892	1.1
91.05470	2.9
93.03416	15.4
93.07031	3.1
95.04967	7.4
97.02377	1.2
97.02910	14.9
98.97594	15.3
103.05455	1.9
105.07034	2.4
107.08592	2.3
109.02882	2.7
109.06513	1.1
110.03653	3.4
111.04427	4.2
115.05485	6.1
116.98662	4.9
117.03332	2.4
117.07064	1.5
119.04925	2.6
119.08591	1.7
121.02906	5.4
121.10148	2.4
123.04408	3.2
123.51945	1.0
124.05235	6.8
124.99098	1.8
125.06001	6.3
128.06227	13.5
128.98604	1.3
129.07019	44.4
130.06552	5.7
130.07353	1.1
130.12880	1.1
131.04930	5.0
131.08571	1.4
133.02859	1.8
133.06519	1.4
137.05986	4.7
139.03870	4.6
139.05435	6.8
141.06996	14.4
143.00179	2.6
143.04897	1.9
145.02817	2.9
145.06451	2.4
147.04396	3.9
149.02367	3.0
151.02769	1.4
151.03929	15.7
155.04903	3.2
155.06018	1.5
156.05679	2.5
157.06508	50.3
158.07335	1.3
158.99646	3.6
161.01207	2.0
161.06018	6.7
161.09572	1.3
163.03873	3.2
163.07532	3.0
166.17288	1.0
167.03401	4.8
167.04913	15.7
169.06505	17.1
170.99719	1.8
171.04349	2.5
172.05226	1.9
173.06010	4.3
174.03059	2.0
174.06752	5.7
175.07547	3.1
177.00690	2.1
177.05476	6.9
183.04451	2.2
184.05173	4.0
185.05995	21.8
187.07570	8.6
188.08351	11.4
189.00745	2.3
189.05496	10.0
189.09125	41.1
195.04356	5.9
198.06824	1.6
199.03841	2.2
199.07561	30.3
200.04625	4.6
201.00702	2.4
201.09045	2.8
201.31860	1.1
202.06325	1.2
203.06981	3.4
203.08636	2.0
204.10130	1.6
207.06577	5.4
212.04645	3.7
213.05511	7.5
214.06216	3.7
215.07097	7.6
217.06537	2.0
217.08609	37.6
219.01704	2.1
227.07051	26.8
229.08714	1.0
231.06377	2.5
243.05130	1.5
245.08119	90.6
248.08344	2.9
249.02657	2.5
255.06454	2.4
263.10715	2.0
263.15082	2.7
273.07587	16.8
281.58038	1.6
291.08594	100.0
291.19565	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40605	0.6
55.01844	1.1
55.05509	3.4
56.96299	1.3
56.96568	23.8
60.05648	1.3
65.03941	1.0
69.03424	1.8
69.07071	3.2
70.06593	5.9
71.57408	0.6
71.95259	0.7
72.08163	21.0
73.04039	1.9
77.03921	3.2
79.05481	1.0
81.03426	1.6
81.07047	1.0
84.08140	2.3
84.96051	5.1
85.02940	1.1
87.04450	1.0
91.05489	10.0
93.07005	0.9
95.04979	1.3
97.02911	1.5
97.07675	3.9
98.06048	3.0
98.97588	48.4
99.04485	0.6
102.96961	1.3
103.05477	0.8
105.03385	10.2
106.06560	2.7
106.38102	0.6
107.04942	3.5
107.08625	0.8
110.97578	31.5
111.04420	0.8
112.99136	10.7
114.09561	0.9
114.10305	11.3
115.08687	11.2
116.98625	14.5
119.04980	4.5
122.06017	2.4
123.04417	1.0
126.97044	1.4
127.00651	0.7
128.11829	0.6
128.98613	24.0
129.06998	1.5
131.00185	8.6
131.04967	1.2
131.12917	1.8
131.84143	0.7
131.86899	0.6
132.04440	0.9
132.08435	2.3
133.02859	77.2
134.04993	1.2
134.06015	24.8
134.99657	2.7
135.04448	0.7
136.99138	0.7
137.05019	1.0
137.05986	14.2
138.06346	1.0
140.08202	0.8
140.98570	1.4
143.00171	1.9
144.98062	1.7
145.02855	0.8
146.99660	8.7
147.04411	7.5
147.08044	0.8
149.01207	2.1
150.05537	9.3
151.03864	0.8
152.00244	0.9
152.46432	0.6
155.00160	2.6
157.10880	1.3
158.99678	5.2
161.01257	1.5
161.05920	0.7
161.07118	0.7
162.05522	5.8
162.99092	1.8
165.00746	1.3
170.99658	22.2
173.01205	4.3
175.12289	1.1
176.10637	1.8
177.00787	3.3
177.05510	1.5
178.05037	1.1
179.00175	1.0
182.99680	1.2
184.03537	1.6
186.99190	0.9
189.00722	39.5
189.09169	0.9
191.02306	1.4
192.09444	0.6
193.27777	0.7
194.99701	0.9
197.01192	0.7
197.05899	0.8
201.00679	2.3
201.10254	1.8
202.07787	2.5
203.02193	0.8
203.06876	1.2
203.08633	8.3
203.11781	15.4
204.10211	65.5
205.06482	1.0
207.01776	6.5
209.04378	1.1
210.01955	0.6
212.02292	2.2
213.00742	2.1
217.08615	0.7
217.13400	0.7
218.12862	1.6
219.01762	1.7
219.08087	2.4
220.08884	3.2
221.12825	1.9
222.99161	2.6
225.06993	2.8
229.09758	1.1
231.01741	6.5
231.08075	9.0
232.09319	2.9
233.06093	1.1
237.02855	1.2
241.00159	1.9
245.08147	2.2
246.12410	19.9
247.07603	1.5
248.08383	12.3
249.02884	9.7
258.06625	0.7
259.07553	5.0
260.08282	2.1
263.11026	7.2
263.15042	100.0
265.00226	1.2
267.03827	3.8
274.11786	1.2
276.07828	6.0
283.01218	1.0
288.61392	0.6
291.10153	36.9
291.14502	67.0
301.02191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03955	2.6
55.01867	2.8
55.05518	9.3
56.96562	8.5
57.03429	3.5
57.07070	4.0
59.04995	2.6
65.03938	2.0
67.05170	1.2
67.05507	16.0
69.03432	4.9
69.07065	5.0
71.04986	5.5
71.57088	1.2
73.11478	0.9
74.20228	0.8
79.05494	16.3
79.05910	1.7
81.03430	2.1
81.07057	23.6
83.04977	5.9
83.08617	4.7
84.96039	2.6
85.02916	2.0
85.06535	5.6
91.05492	14.4
93.03410	1.4
93.07050	19.0
95.04975	10.5
95.08613	21.2
97.02885	2.5
97.06535	7.2
97.10130	1.0
98.97591	17.7
99.04437	1.1
99.08067	1.5
105.03416	2.2
105.07037	20.5
107.04963	12.9
107.08594	17.7
109.02809	1.1
109.06525	17.0
109.10169	8.9
110.37972	1.0
110.97578	9.0
111.04472	1.4
111.08087	28.9
112.99140	2.9
115.05432	1.7
116.98624	5.7
117.07014	7.9
119.04987	1.5
119.08598	18.1
121.06527	8.4
121.10161	10.2
122.07266	2.3
123.04362	1.6
123.07181	2.3
123.08078	38.2
123.11707	2.3
125.09621	3.3
128.06215	1.5
128.98619	8.1
129.07030	6.8
130.07848	1.3
131.00145	2.9
131.08572	13.1
133.06482	4.1
133.10135	12.7
135.08061	16.8
135.11700	6.1
137.09608	7.1
139.11186	1.8
141.05476	1.4
141.06987	2.0
142.07854	2.4
143.08542	7.5
145.02803	1.3
145.06453	1.5
145.10133	19.3
146.99678	2.7
147.04431	2.0
147.08066	7.7
147.11691	9.2
149.01204	1.5
149.09621	10.2
149.13260	2.4
151.07549	100.0
155.08566	1.3
155.10689	2.9
156.09348	2.2
157.06487	4.0
157.10138	9.1
158.99536	1.4
159.08058	2.4
159.11722	8.6
161.09671	6.9
161.13281	3.1
163.03903	2.8
163.11198	7.1
165.09021	1.3
165.12770	1.0
170.99709	5.4
171.11713	5.3
173.01195	1.8
173.09624	2.3
173.13284	8.4
174.06924	1.3
174.10362	1.2
175.11182	5.4
177.09169	2.8
177.12738	3.4
179.10704	4.8
181.12238	2.3
182.11044	1.1
183.11739	1.6
185.13245	3.3
187.11203	3.9
187.14822	1.5
189.00740	13.2
189.09125	2.9
189.12758	30.3
189.16422	1.1
191.10637	1.3
191.14319	7.5
192.11426	3.3
195.11740	2.0
197.11728	15.9
197.13318	3.0
199.07504	1.3
199.11197	1.5
199.14836	1.7
203.14322	2.4
205.12277	2.0
207.01794	2.4
207.13815	62.1
211.14928	2.3
212.02380	1.8
213.12840	1.1
213.16354	3.1
215.14337	5.8
217.08690	2.6
217.12268	3.8
217.15846	2.0
227.07092	2.2
227.17992	1.7
229.23682	1.4
231.01761	2.2
231.17465	3.4
233.15379	20.2
235.13329	2.5
237.16322	1.3
245.08115	5.5
245.18961	1.4
249.02824	3.7
255.17445	6.9
267.03818	2.3
273.07556	1.1
273.18530	23.5
273.21515	1.2
291.08643	5.1
291.19556	88.9
291.27145	4.5
304.80731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03940	1.4
55.01880	3.2
55.05515	10.8
56.96566	2.5
57.03427	1.3
57.07087	0.9
59.05001	0.8
65.03933	0.9
67.05512	8.2
69.03429	1.9
69.07074	4.3
71.04996	1.1
71.18916	0.6
71.19248	0.7
77.87290	0.5
79.05058	0.9
79.05500	12.7
81.03419	1.6
81.07068	11.0
83.04982	1.8
83.08624	6.0
91.05489	9.4
93.07051	8.7
95.04983	5.2
95.08611	6.5
97.06514	0.6
97.10178	6.5
98.97591	1.1
98.98502	0.5
103.05455	0.8
105.07037	8.7
107.04967	5.3
107.08606	6.0
109.06524	2.0
109.10160	2.2
110.54492	0.6
111.04427	0.8
111.08101	1.0
115.05476	0.9
116.98610	0.5
117.07015	4.2
119.04971	1.2
119.05981	0.5
119.07796	0.7
119.08598	9.8
121.06522	2.9
121.10167	3.3
123.08079	3.4
125.09639	4.3
128.06201	0.9
129.07056	3.2
130.07835	0.9
131.08565	5.7
133.06488	3.1
133.10179	2.6
134.07266	1.0
135.08044	2.8
135.11673	1.4
137.09610	0.9
143.08560	3.1
145.06468	0.6
145.10136	4.8
147.08066	6.3
147.11775	1.1
149.09657	1.9
149.13257	0.6
157.06526	1.0
157.10165	1.7
159.08084	1.0
159.11719	1.9
161.09622	1.8
162.10356	1.0
163.11177	1.4
165.09094	0.7
169.10104	0.6
171.11713	1.5
175.11220	1.1
183.11700	0.8
185.13287	0.9
189.09303	0.6
189.11258	2.1
189.12804	0.9
195.11664	0.7
197.13440	0.7
207.13866	0.6
211.14795	0.6
221.70476	0.5
223.13268	1.6
227.18097	0.6
233.15463	0.6
245.08115	1.4
245.19037	1.0
249.14827	2.7
255.17467	1.2
273.07541	0.5
273.18527	9.7
279.17123	0.5
291.19568	100.0
292.20111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03940	1.7
55.01868	3.6
55.05510	8.5
56.96568	8.2
57.03430	4.6
57.07080	3.0
59.04997	2.1
63.87481	1.5
65.03927	2.2
67.05521	11.9
69.03446	3.3
69.07078	4.0
69.39044	7.5
69.39465	3.9
71.04989	4.7
73.37047	1.6
79.05506	15.0
81.03440	2.0
81.07069	18.8
83.04988	5.6
83.08635	4.7
85.02903	1.8
85.06550	2.9
91.05482	12.2
93.03382	2.0
93.07047	15.8
95.04969	12.8
95.08619	23.5
97.06549	7.5
98.97609	16.4
105.07050	15.5
107.04990	8.4
107.08599	16.7
109.06535	18.6
109.10159	7.8
110.97583	12.9
111.04451	1.6
111.08090	29.2
112.99155	4.1
113.06052	1.7
113.09672	2.8
115.05455	1.4
116.98642	5.6
117.07047	7.1
119.04919	2.8
119.08590	15.0
121.06509	6.4
121.10148	11.8
123.08083	39.0
124.08488	1.4
125.09666	1.6
127.46901	1.4
128.06261	2.5
128.98637	8.4
129.07048	8.4
130.00644	1.5
130.07840	1.6
131.00194	3.9
131.08609	11.1
133.06514	5.7
133.10144	13.1
135.08075	15.8
135.11714	4.5
137.09630	6.3
140.00156	1.5
141.07036	1.7
142.07768	1.7
143.08569	6.5
145.10138	20.6
146.99698	3.5
147.04422	3.0
147.08069	4.9
147.11713	9.9
147.69188	1.4
149.09598	8.4
151.07559	100.0
151.11166	2.6
155.08560	2.0
155.10580	2.7
157.06564	7.0
157.10135	7.8
158.10760	1.5
159.08023	2.8
159.11736	6.9
161.09663	7.9
161.13286	4.3
163.03941	1.7
163.11209	6.3
167.10919	1.8
169.06561	2.0
169.10233	2.2
170.99692	8.9
171.01923	1.5
171.11690	5.8
173.09668	2.9
173.13251	7.0
174.10472	3.4
175.11232	6.4
177.09193	1.7
177.12767	6.0
179.10677	7.2
185.05989	2.3
185.13350	2.7
187.11238	4.9
187.14857	3.4
189.00714	16.4
189.09103	3.4
189.12756	31.0
191.11011	1.5
191.14334	9.1
192.11520	3.9
197.11771	19.2
197.13376	3.0
199.07596	2.7
199.11304	1.5
203.14249	2.7
207.01819	2.4
207.13818	76.4
209.54240	1.5
212.02281	2.8
213.16379	2.6
215.14337	6.4
217.08614	3.5
217.12254	2.5
217.15996	2.4
227.07086	3.3
229.15868	2.4
229.23517	2.1
231.01920	1.7
231.06807	2.0
231.17467	4.1
233.15369	20.9
245.08063	7.8
249.02698	3.2
249.18668	1.5
255.17513	5.5
273.18503	23.8
291.08478	8.9
291.19568	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03936	3.0
53.71692	0.8
55.01873	9.7
55.05513	21.8
57.03445	4.4
65.03941	1.6
67.05175	1.2
67.05509	21.3
69.03425	3.6
69.07066	8.0
70.00866	2.0
70.01283	1.4
71.04985	2.2
77.03918	1.1
79.05497	42.3
81.03413	1.9
81.07061	41.2
83.04949	3.6
83.08625	10.6
85.06527	2.3
91.05484	29.6
93.07050	22.8
95.04975	12.1
95.08617	13.9
97.06519	2.1
97.10176	9.8
98.21516	0.7
98.97585	1.4
99.08086	1.2
103.05478	1.8
105.03433	3.6
105.04472	1.1
105.07035	19.0
107.04951	9.8
107.07879	0.8
107.08601	15.1
109.06527	9.0
109.10158	6.1
111.08056	1.5
115.05449	2.9
116.06232	2.5
117.07030	24.0
119.04921	4.0
119.08585	39.3
121.06517	16.2
121.10151	8.9
123.08092	3.9
125.09641	11.0
128.06219	2.8
129.07010	11.1
130.07770	2.4
131.08565	19.9
133.06494	5.2
133.10144	5.6
135.08072	12.5
135.11716	3.4
137.09619	1.7
141.07007	0.8
142.07758	1.8
143.08569	9.7
145.06448	1.7
145.10126	22.1
147.08051	25.7
147.11667	1.8
149.09630	7.5
153.09097	1.9
155.08554	2.4
157.06514	1.2
157.10126	7.3
159.08049	4.0
159.11699	5.9
161.09631	10.0
161.13266	1.0
163.11217	3.1
167.08530	1.0
169.10114	1.3
171.08064	1.0
171.10268	1.6
171.11685	4.9
173.09656	1.8
173.13255	1.8
175.11192	2.3
177.09096	0.8
177.12717	0.7
185.09686	1.2
185.13254	3.7
189.09433	0.9
189.11214	6.5
189.12810	1.5
195.11638	2.2
199.11151	1.3
199.14850	1.3
201.12831	1.4
205.12244	0.8
209.13177	0.8
213.12698	2.1
213.16357	1.4
217.15829	3.3
223.13266	4.1
227.17973	3.2
231.13721	1.3
237.16443	1.6
245.18996	2.5
249.14864	9.9
255.17459	6.3
273.18497	47.7
291.19550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03946	4.6
53.06488	2.4
55.01863	9.9
55.05516	20.5
56.96565	5.9
57.03440	100.0
57.07069	4.4
59.05010	4.2
65.03947	4.3
67.05170	4.8
67.05509	71.6
69.07067	16.1
69.46887	19.1
71.04984	5.0
79.05501	45.7
81.07057	47.3
83.04980	5.5
83.08620	16.7
85.06546	25.1
91.05486	79.9
93.07059	45.6
95.04972	10.2
95.08617	25.5
97.06553	7.3
97.10176	5.0
98.97573	10.7
103.05485	5.3
105.07034	55.8
107.04948	15.6
107.08612	25.0
109.06524	45.7
109.10146	15.6
110.97595	5.4
111.08093	3.6
115.05470	5.6
116.98633	3.9
117.07020	49.3
119.08566	34.5
121.06490	19.6
121.10151	14.7
123.08076	5.6
123.11670	3.3
128.06186	5.8
129.07010	25.7
130.07784	4.6
131.08580	43.8
133.06517	6.7
133.10120	23.5
135.08054	32.9
135.11717	10.6
137.09622	5.8
138.22054	3.1
141.06989	5.3
142.07767	5.6
143.00142	3.0
143.08513	18.5
145.10139	39.4
147.08037	28.5
147.11684	9.6
149.09631	10.0
149.13283	6.9
151.07607	2.8
155.08580	5.1
157.10141	30.9
159.08066	3.7
159.11716	18.1
161.09702	14.3
161.13313	3.6
163.11246	4.8
169.10123	3.7
170.99654	6.0
171.11667	13.9
173.09554	3.0
173.13242	7.9
175.11218	10.6
181.10147	3.6
183.11685	6.4
185.13283	4.7
189.00725	10.8
195.11710	5.2
196.29967	3.1
199.14891	13.7
201.12787	14.0
212.02336	2.9
215.88412	3.0
217.15891	59.7
219.13855	10.9
226.01115	2.9
233.15419	4.8
237.16328	5.6
255.17432	14.3
271.12039	7.5
273.18503	64.3
279.63901	3.1
291.19604	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	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	4.5
55.01669	1.4
55.01876	17.9
55.05518	17.5
56.96568	11.2
57.03434	11.5
57.07079	2.7
57.10002	1.3
65.03923	6.0
67.05508	63.6
69.03427	3.9
69.06771	1.3
69.07072	12.6
71.04987	3.6
77.35833	1.4
77.93282	1.2
79.05070	2.5
79.05502	42.6
81.03410	2.9
81.07063	31.0
83.04987	7.1
83.08604	5.1
84.47164	1.5
85.06531	5.2
91.05480	32.0
93.07050	31.6
95.04977	100.0
95.08612	19.3
95.17385	1.5
97.02904	2.1
97.06512	6.1
97.10188	4.0
97.99171	1.8
98.20725	4.0
98.97598	2.6
104.94728	1.5
105.07024	24.3
107.04962	23.3
107.08601	24.0
109.06524	53.2
109.10152	6.1
111.08076	7.1
115.05446	4.0
116.98590	1.9
117.07022	11.7
119.04945	2.5
119.06057	1.5
119.08593	14.7
121.06537	7.9
121.10155	9.5
123.08045	4.6
123.11707	4.3
124.25839	1.3
128.06226	2.9
129.06990	9.3
131.08577	20.7
133.06497	7.5
133.10136	8.0
135.08064	62.8
135.11656	7.7
137.05988	2.8
137.09589	3.0
141.07008	2.2
143.08566	13.1
145.06525	1.4
145.10133	14.9
147.08070	9.4
147.11714	4.4
149.09619	9.2
149.13280	4.6
151.03754	1.4
155.08521	1.8
157.06517	4.6
157.10144	7.4
159.08128	2.1
159.11658	8.2
161.09634	6.6
161.13263	2.5
163.11188	4.1
165.12790	1.3
169.10129	3.1
171.11734	3.5
173.13185	1.9
174.28940	1.3
175.07512	1.6
175.11208	2.5
177.12773	3.8
180.10240	2.5
183.11682	1.9
185.05873	1.9
185.13261	3.9
187.11174	3.2
189.09116	3.9
189.12733	1.4
189.16454	1.4
199.14851	4.8
201.12619	1.5
205.12234	2.3
209.13515	1.5
217.08588	2.8
217.15891	13.7
227.17810	2.9
236.16367	1.7
245.08131	5.7
245.19084	3.3
249.23265	2.0
250.16684	4.3
255.17528	3.2
263.20190	1.4
266.30637	1.4
270.67780	1.4
273.07187	1.4
273.18506	41.3
273.21548	2.2
274.04150	1.4
285.83981	1.4
291.08734	5.1
291.19550	55.7
291.22925	3.7
291.26898	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	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	1.9
55.01864	3.1
55.05510	7.2
57.03425	2.4
65.03944	4.9
67.05510	47.7
69.03428	1.4
69.07077	7.0
69.58252	4.3
71.04984	1.1
79.05069	1.1
79.05501	17.2
81.03420	2.2
81.07060	16.1
83.04971	0.9
83.08607	2.5
85.06573	0.9
91.04971	1.0
91.05486	13.2
93.07050	16.1
95.04975	100.0
95.08600	9.5
97.06542	4.6
97.10180	2.1
103.05478	0.9
105.04500	0.8
105.07042	13.8
107.04961	7.6
107.08595	9.0
108.62136	0.7
109.06520	6.3
109.10142	2.6
111.08073	3.2
116.06248	1.0
117.07001	5.3
118.36481	0.8
119.08590	6.9
121.06512	7.7
121.10114	3.9
123.08052	2.5
123.11674	1.4
125.09580	0.9
128.06197	0.7
129.07005	2.8
131.08571	10.8
133.06491	3.7
133.10112	2.8
135.08018	2.4
135.11694	4.2
137.05956	2.3
143.08554	10.9
145.06458	1.0
145.10127	8.3
147.08046	5.0
147.11685	3.3
149.09575	2.5
149.13261	2.6
157.10046	1.1
159.08087	1.0
159.11693	2.7
161.09590	1.6
163.07579	1.1
163.11194	1.9
165.12726	0.9
169.10168	2.1
171.11658	1.7
177.12753	3.2
187.11209	2.9
205.12167	1.5
227.09702	0.8
227.18022	1.5
229.15889	1.5
237.16409	2.4
245.10439	0.7
245.18985	1.9
255.17349	2.4
273.18494	26.5
291.19586	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1958
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01875	8.5
55.05515	73.9
56.13930	4.8
56.71746	4.5
56.96569	39.0
57.03448	8.1
67.01717	4.7
67.05519	47.7
69.07072	38.4
69.50520	8.1
69.50935	25.7
71.04999	65.7
74.81044	5.0
79.05492	45.2
80.39366	4.2
81.03391	6.5
81.07068	59.9
83.04973	10.7
83.08640	41.0
85.06536	13.5
87.64898	4.4
91.05489	39.6
93.07054	98.7
95.04963	23.9
95.08602	42.8
97.06541	10.4
97.99187	11.4
98.98479	7.2
99.04462	57.9
105.07018	33.6
107.04935	7.3
107.08604	64.5
109.06524	75.5
109.10165	34.5
111.04432	7.9
111.08086	79.1
117.07047	5.7
118.79099	5.3
119.08591	35.9
121.06509	10.5
121.10124	41.5
123.08083	31.5
123.11671	8.4
125.05994	10.1
129.07018	7.8
131.08568	16.5
133.10120	24.4
135.08109	24.9
135.11710	50.3
137.09605	12.7
145.10109	17.4
147.08000	7.3
147.11644	15.2
149.09622	20.2
149.13266	17.7
157.10185	10.3
159.11731	10.8
161.09572	8.3
161.13251	8.8
163.11246	23.2
163.14807	6.4
167.99547	4.6
171.11668	6.5
173.09631	7.2
173.13321	5.9
175.11182	10.0
175.14854	10.7
181.12216	15.2
191.10721	47.6
191.14308	14.3
193.15863	16.7
229.15315	4.2
232.16570	13.0
241.17090	7.4
243.67393	7.6
273.18466	28.8
291.19556	100.0
291.23172	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	291.1958
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.75900	0.4
51.02374	1.1
53.03948	3.5
55.01625	0.6
55.01879	11.3
55.05517	27.4
56.96578	2.4
57.03439	3.0
57.07058	0.9
59.04996	1.0
65.03929	1.9
66.17810	0.4
67.05511	24.8
68.18663	0.5
69.03437	5.7
69.06722	0.5
69.07073	9.0
71.05003	3.5
71.56828	0.5
72.95042	0.4
73.06551	0.5
77.03914	1.2
79.05501	48.1
81.03428	2.8
81.07064	53.1
83.04991	4.1
83.08144	0.6
83.08627	12.0
85.02924	0.6
85.06577	2.2
91.05489	34.1
93.07053	27.2
95.04985	14.1
95.08617	18.9
95.09097	0.3
95.09236	0.6
97.06553	2.8
97.10175	13.2
98.97581	3.5
99.08116	1.4
101.09667	0.8
103.05466	2.2
105.03405	3.7
105.04513	1.7
105.07038	25.0
107.04287	0.9
107.04964	12.2
107.08604	18.9
109.06524	7.3
109.10170	8.1
111.04430	0.6
111.08098	3.7
113.06038	0.6
115.05452	3.1
116.06199	1.1
116.98633	1.5
117.07028	28.5
119.04942	3.6
119.08591	48.0
120.05785	0.9
121.05643	1.0
121.06517	20.2
121.10159	10.3
123.04416	0.4
123.08082	6.3
123.11718	1.3
125.09653	11.7
128.06244	2.5
128.98613	0.4
129.07018	10.6
130.03085	0.5
130.07779	2.7
131.04906	1.0
131.08582	20.0
132.05753	1.4
133.06508	6.6
133.10143	7.9
134.07281	0.4
135.04413	1.4
135.08067	12.3
135.11719	3.6
137.09598	2.4
139.11211	0.8
141.07065	0.9
142.07777	1.7
143.00139	0.6
143.08563	11.4
143.10574	0.5
144.09338	0.8
145.06476	2.1
145.10135	26.3
147.04338	0.5
147.08060	27.6
147.11690	3.8
149.09625	6.8
149.13295	1.3
151.07533	4.3
151.11171	0.5
153.09099	1.5
155.08578	1.6
156.09331	0.5
157.06487	2.0
157.10123	9.3
158.99751	0.5
159.08035	4.5
159.11710	7.5
161.01208	0.7
161.09641	10.1
161.13264	1.2
163.03926	0.9
163.07489	0.7
163.11208	4.8
165.07072	0.5
165.09131	0.9
167.08493	1.0
169.10193	2.1
170.99736	0.8
171.08032	0.9
171.10222	0.9
171.11670	5.3
173.09645	2.2
173.13249	2.1
175.11200	3.4
175.14821	0.9
177.09117	1.0
177.12791	0.8
181.10106	1.5
181.12247	0.6
183.11691	0.9
185.09650	1.3
185.13254	4.3
187.11226	1.3
189.00700	0.9
189.09230	1.0
189.11227	8.3
189.12776	1.4
191.10608	0.5
195.11736	2.1
199.11259	2.9
199.14818	0.9
201.00812	0.8
203.14354	1.0
205.12321	0.9
207.13826	2.7
209.13382	1.1
211.14865	0.8
213.12730	2.7
213.16449	1.2
215.14299	0.5
217.12054	1.5
217.15904	1.4
219.13818	0.8
223.13350	4.8
227.17943	3.0
231.13849	2.1
231.17554	0.5
237.16470	2.2
245.08224	1.0
245.10608	0.7
245.19070	2.4
249.02982	0.6
249.14853	11.9
255.17474	8.0
263.20300	0.6
273.18512	49.7
291.08624	1.3
291.19571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.7
65.03938	6.3
67.05513	7.4
69.07056	10.3
69.62774	17.1
71.04994	25.3
79.05466	11.5
81.03413	9.7
81.07053	13.1
83.04993	4.2
85.06536	7.0
90.01043	3.7
91.05470	16.1
93.03402	7.6
93.07054	29.0
94.46980	3.2
95.04949	9.2
95.08600	14.4
97.02873	9.8
97.06530	6.6
103.05449	6.4
105.07024	37.9
105.63509	3.5
107.08613	22.5
109.02843	4.2
109.10147	19.3
115.05459	18.3
117.07076	4.4
119.08581	17.9
121.02864	3.5
121.06564	5.1
121.10147	100.0
123.11664	8.5
125.09637	36.8
127.11209	8.6
128.06210	6.7
129.06958	19.7
131.04904	4.3
131.08537	5.1
133.10136	89.2
135.11627	5.2
139.03874	6.0
139.05479	4.7
139.11147	4.3
141.06981	7.8
143.10674	90.4
145.10092	10.6
147.04370	9.2
147.11642	16.2
149.13248	10.7
151.03914	5.0
151.11168	15.3
157.06496	31.8
159.11685	16.9
161.05988	4.3
161.13216	7.4
167.04942	8.9
169.03291	3.7
169.06487	9.7
174.06834	4.3
177.05481	7.3
185.05992	10.7
187.07602	5.7
188.08325	5.9
189.05438	4.4
189.09108	24.5
189.16383	51.7
199.07481	17.4
201.16379	13.0
202.07722	12.9
203.08553	23.9
207.17429	15.1
214.06343	3.5
217.08603	24.4
219.07973	4.6
219.17433	36.7
220.08846	8.6
225.07564	5.7
225.18555	6.5
227.06978	16.0
231.08086	28.1
237.18477	21.3
245.08078	54.6
247.07552	5.6
248.08298	17.8
255.19554	12.4
259.07590	14.3
260.08331	11.1
263.10611	12.4
263.15100	8.5
273.07571	9.6
273.20871	3.9
276.07809	16.3
276.23602	3.6
291.10065	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	291.2321
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02370	0.7
53.03943	5.0
55.01875	2.2
55.05516	19.2
57.03442	1.1
57.07074	2.5
65.03951	1.7
67.05507	40.0
69.03440	1.0
69.07072	17.9
69.07448	1.1
71.04985	1.1
71.08656	0.9
71.49144	0.9
73.06550	1.1
77.03925	1.2
79.05497	74.4
81.03417	1.5
81.07061	54.3
83.04985	1.8
83.08633	8.9
85.06541	3.6
91.05489	31.5
93.07049	100.0
95.04969	6.0
95.08611	31.9
95.83125	0.7
97.06541	2.2
97.10165	4.9
99.08092	1.0
105.04521	2.3
105.07033	17.1
107.08602	55.5
109.06543	3.7
109.10158	15.4
111.08072	2.0
111.11742	0.9
115.07625	1.0
117.07053	5.0
119.06081	1.0
119.08585	13.9
121.06537	1.3
121.10149	46.6
123.08057	2.8
123.11707	4.4
125.09637	2.0
129.07034	1.8
131.08575	6.1
133.10136	14.5
135.08084	2.8
135.11700	61.8
137.09647	3.0
139.11154	1.3
143.08583	3.5
145.10127	6.2
147.08107	1.1
147.11700	10.4
149.09680	3.5
149.13264	38.8
151.11221	1.3
157.10139	2.3
159.11664	5.3
161.09648	1.0
161.13275	9.3
163.11205	2.9
163.14835	9.4
165.12738	0.8
171.11731	4.5
173.13298	3.3
175.11208	1.5
175.14793	5.7
177.12779	4.5
177.16432	1.4
185.13307	3.1
186.20433	0.7
187.14938	1.0
189.12822	1.7
191.14323	0.9
199.14812	3.2
203.14409	1.8
207.13762	0.9
209.15337	2.1
213.16415	1.9
217.15910	1.6
217.19519	1.3
221.15382	1.9
231.17494	1.7
231.21046	1.3
235.16916	2.1
241.19536	6.7
249.18561	3.5
255.21007	0.7
259.20560	9.5
273.18646	1.3
273.22208	1.0
291.19928	3.5
291.23199	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
56.05039	31.7
57.03431	1.2
60.04528	6.5
67.05506	13.0
68.05009	1.3
69.03419	1.3
69.06726	0.9
69.07070	9.9
70.06587	2.1
71.04996	1.9
71.56203	0.8
72.04521	14.7
79.05477	2.2
80.04995	1.0
81.07063	3.0
83.08621	1.5
84.04494	3.5
85.06556	1.1
88.03988	2.4
90.05566	13.7
91.05479	6.1
92.48970	0.8
93.07051	4.5
95.04987	1.1
95.08607	5.1
96.04510	0.8
96.08121	1.1
107.08588	1.5
108.08164	1.0
109.06553	1.1
109.09454	1.7
109.10163	22.4
110.09708	1.3
111.08079	2.2
111.11719	3.1
118.05025	46.2
119.04935	2.0
119.08593	4.8
119.82789	0.8
121.06473	1.1
121.61669	0.7
125.09631	1.4
126.12783	1.3
127.11197	0.8
129.06569	1.1
130.04970	1.8
136.11221	3.7
137.09631	8.2
146.06012	1.2
147.04427	7.6
148.04776	2.3
151.11263	1.8
153.60565	0.9
154.12282	100.0
160.51280	0.8
172.13338	45.0
182.11758	2.3
188.06946	1.7
196.05844	0.7
200.12836	18.2
203.07327	1.7
205.09721	1.0
218.13937	1.5
228.15929	6.3
229.14383	2.0
246.17004	26.0
274.13370	1.5
274.16486	19.8
292.17572	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0548
Annotation	1,8-Dinitropyrene
Peak:m/z	Relative Intensity
56.89724	1.0
56.96567	21.3
57.03429	1.0
65.90131	1.0
70.06562	1.4
70.94216	2.8
70.98123	7.3
71.95236	1.3
74.03107	0.9
79.26796	1.1
82.99812	2.2
84.96049	8.3
85.02878	3.9
88.99165	5.2
97.02871	1.3
98.97592	100.0
101.00893	11.2
103.00629	2.9
110.97587	26.8
112.99119	6.6
113.00861	1.8
116.37325	1.0
116.98635	22.7
119.01942	8.7
120.02539	2.4
120.87225	1.0
121.01632	1.7
124.99075	4.7
126.97051	2.1
128.98608	21.4
131.00117	3.5
131.01846	3.2
133.01620	1.1
133.03320	1.5
134.99573	2.9
140.98639	5.4
143.00185	12.1
143.01907	16.8
144.98024	3.2
145.03355	1.3
146.99687	14.6
147.03198	1.0
149.01143	1.6
152.97536	1.0
152.98630	14.4
155.00145	1.6
155.01822	4.0
157.03424	1.5
158.99684	13.5
161.01283	2.6
161.02966	32.2
161.07048	1.9
163.02625	1.3
165.00650	3.6
168.03499	1.1
170.99677	9.9
172.97530	2.2
173.01189	3.1
173.02896	7.0
177.00769	5.6
177.02098	1.6
177.04149	1.2
182.99496	1.4
185.02977	1.6
189.00708	13.1
191.02309	1.5
191.03902	1.6
197.02951	1.8
201.00722	6.9
202.06052	7.9
203.04034	12.5
207.01750	5.7
216.19724	1.1
218.99841	1.6
219.01782	26.8
223.06557	1.9
225.02611	1.1
232.99641	2.2
233.03244	11.5
233.05185	1.2
237.02835	23.5
249.02779	1.3
251.04416	94.2
255.03807	2.2
269.05487	16.3
279.03827	2.0
293.05298	60.5
311.06354	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10555	1.7
63.24883	1.4
66.87807	1.4
69.41530	11.6
72.37959	1.4
88.11856	1.5
98.20728	3.2
147.03050	1.9
177.75230	1.5
183.05711	1.4
202.05971	10.5
241.96994	1.7
293.06342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16245	0.5
55.01854	0.9
55.05506	0.8
56.96565	9.4
57.03433	2.4
61.02920	2.3
67.05495	1.6
68.00311	0.6
69.03429	4.2
70.06580	2.8
70.92646	1.1
70.92980	0.8
70.98121	2.8
71.04964	0.9
71.88330	0.5
73.02908	1.8
81.03420	0.8
81.07055	1.1
82.99805	4.0
83.00754	0.7
83.01283	0.5
83.04959	1.3
84.08126	1.1
84.96042	2.4
85.02905	4.9
88.99142	1.0
89.00790	1.2
90.05587	0.6
91.05475	1.5
93.07012	0.7
94.99876	0.5
95.00782	1.2
95.04977	1.0
95.08553	0.8
97.02885	3.3
98.01295	1.8
98.97586	30.1
99.04460	1.3
101.00885	27.4
102.01559	1.5
103.00610	1.3
103.02460	0.7
104.01294	1.7
105.00355	0.5
107.01774	0.8
107.04918	1.4
109.02923	0.8
110.01289	0.9
110.97567	6.7
111.02078	3.3
112.07608	0.8
112.99146	1.9
113.00894	4.4
113.01611	0.8
114.09134	0.8
115.02427	1.4
116.98631	8.8
117.01975	2.1
119.01921	33.2
119.04993	0.7
120.02610	5.3
121.01638	2.8
121.06516	2.5
123.02132	1.0
124.99138	1.6
125.01799	2.2
126.97094	0.8
127.02397	0.5
127.03924	1.7
128.98611	6.6
129.03105	4.5
129.05490	0.8
131.00182	1.6
131.01913	10.1
133.01617	0.8
133.03458	2.8
134.99648	1.4
135.03250	1.2
135.04373	1.1
136.06114	0.6
137.02974	2.5
137.05948	0.7
138.02602	1.9
139.02406	1.3
140.02325	1.1
140.98601	1.0
141.03108	3.2
141.04044	0.5
141.53261	0.6
143.00275	4.6
143.01903	51.2
144.98074	0.9
145.01642	1.1
145.03438	3.5
145.04971	0.6
146.15714	0.6
146.99619	1.8
147.01408	0.6
147.03122	3.0
147.04262	1.0
149.01160	1.1
149.02969	0.9
152.98570	3.3
153.03116	2.8
155.01889	12.4
156.03607	3.6
157.03426	4.2
158.99657	3.6
159.03152	1.3
160.03911	1.0
161.02971	100.0
161.07117	12.5
162.03540	2.1
163.02689	1.0
163.03923	4.1
165.00740	0.8
167.02020	1.8
167.05458	0.6
167.53227	0.5
167.76831	0.5
169.03394	1.0
170.99698	3.2
171.04077	2.7
171.95924	0.6
172.97624	4.1
173.01410	1.3
173.02966	20.6
175.02734	0.6
175.04536	2.4
177.00710	3.4
177.04111	0.7
179.02126	1.5
179.03992	1.5
184.04681	2.8
184.07448	1.5
185.01436	0.9
185.02931	4.8
187.04471	1.3
189.00706	1.7
190.98647	4.5
191.02379	1.0
191.04013	4.8
193.05409	3.1
197.03049	4.2
201.00708	0.6
202.05988	56.6
202.56244	4.9
203.02419	1.3
203.04013	37.0
205.05533	4.2
208.99709	1.0
209.12866	1.1
211.03857	1.1
212.03848	0.6
214.98740	0.9
215.04066	3.2
218.98120	1.0
219.01730	5.0
221.03270	2.4
221.05133	2.3
223.06639	4.9
225.06364	0.8
227.03978	0.6
232.99695	4.4
233.03275	2.4
233.05200	5.5
237.02817	6.2
239.04385	3.4
241.07610	1.2
249.02681	0.6
251.00731	3.6
251.04341	20.0
263.06155	1.9
265.07974	0.7
267.03760	0.5
269.05481	5.2
275.00797	0.6
275.06210	4.7
275.16068	1.0
279.03897	1.0
293.07111	31.7
293.11072	1.1
311.06250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.6
57.76593	1.4
64.19234	1.3
69.66644	7.6
75.22552	1.4
77.78353	1.5
83.96901	1.2
89.00800	2.3
93.71815	1.3
98.97594	6.0
102.01506	1.6
104.01284	3.1
111.02065	3.1
120.02586	5.4
128.98593	1.5
129.03084	6.4
132.02577	2.8
138.02499	1.4
140.02223	1.6
141.03104	1.7
147.03075	3.2
156.03621	5.2
171.04118	4.4
184.04979	3.0
193.05539	3.1
193.99165	1.2
202.05989	62.0
202.56161	4.5
293.06329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1021
Annotation	Phomoeuphorbin A
Peak:m/z	Relative Intensity
53.03936	8.3
55.01874	9.8
55.05511	9.8
56.19849	3.1
57.03435	11.4
59.44349	3.4
62.30084	3.5
63.77409	3.4
65.03938	5.2
67.05502	15.1
67.05825	3.5
69.03437	65.2
71.01359	5.1
71.04990	10.1
71.24219	4.1
71.24546	4.9
76.18294	3.1
79.05495	10.6
81.03420	12.0
81.07055	8.3
83.04982	14.4
84.08155	8.9
85.02910	21.0
88.98481	3.9
91.05492	30.5
93.07059	5.0
95.04964	16.9
95.08613	4.2
97.06530	4.8
97.49841	3.5
98.97602	5.5
99.04443	14.1
103.05457	8.7
105.03426	4.3
105.07040	8.9
107.08601	5.3
107.87156	3.5
109.02878	23.3
109.06530	3.5
111.04450	12.8
115.05456	15.0
115.08659	3.6
116.06274	5.2
117.07036	7.8
119.04960	28.8
120.57399	3.3
120.71404	3.7
121.06528	13.0
123.04438	38.2
123.08064	4.1
125.05984	9.0
128.06226	4.4
129.07004	6.4
129.84868	3.7
130.04114	4.4
130.04976	5.3
131.04967	24.6
131.08592	4.6
132.05682	4.3
133.06506	28.5
135.04434	4.9
137.06001	20.6
137.09633	5.7
139.03928	8.5
140.04700	6.9
141.05496	8.4
141.07005	5.7
143.04927	4.1
144.05719	7.8
145.06485	28.3
145.10141	4.6
147.04425	33.1
147.08032	26.5
151.07582	4.8
153.04303	7.3
153.05481	100.0
157.06473	3.9
158.07291	11.1
159.04443	5.7
159.08073	13.7
160.05202	17.8
161.05998	43.9
163.03911	14.6
164.04654	11.8
165.05505	57.6
167.03406	38.5
168.05722	4.6
169.06555	10.4
170.03627	17.3
171.04308	5.0
173.06015	40.4
173.09654	18.2
174.06822	4.6
175.03947	10.0
175.07542	59.3
176.04738	8.1
177.05489	58.9
178.06229	5.8
179.07060	27.5
181.04956	5.3
183.08136	8.5
185.05962	39.8
186.06720	8.5
187.07582	25.7
188.04645	4.6
189.05492	67.6
190.06285	19.3
191.07040	45.0
192.04160	11.4
193.05031	28.0
193.08646	20.1
199.03802	3.7
200.04659	7.5
201.09091	35.9
203.07056	38.8
204.04134	6.2
204.07661	3.8
205.04985	17.5
205.08569	23.4
206.05634	4.1
207.06566	63.1
211.07521	7.9
213.05463	44.3
214.06223	11.1
215.07059	15.6
216.04225	8.4
217.04959	16.2
219.06526	30.0
219.10048	20.4
221.08076	25.6
229.08684	28.7
230.90584	3.9
231.06535	94.1
232.07240	4.1
233.04466	5.7
233.08165	30.5
235.06055	21.8
247.09671	60.9
249.07602	91.8
257.08167	20.6
272.10181	5.0
275.09167	43.4
275.19833	5.3
293.10391	46.8
293.13382	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	293.1021
Annotation	cis-Grandmarin
Peak:m/z	Relative Intensity
53.36480	0.2
54.83241	0.2
55.05513	1.6
64.40602	0.2
65.03934	0.6
67.05505	0.3
69.03435	8.9
70.00185	0.6
70.00582	0.4
70.42294	0.2
71.01352	1.5
71.04978	0.9
79.05503	0.2
81.07039	0.3
83.04992	4.9
84.08138	0.6
85.02909	2.1
91.05483	8.1
93.07056	0.4
95.04932	0.2
95.08636	0.2
97.06534	0.2
103.24843	0.2
107.08600	0.4
111.03694	0.4
111.04445	5.4
119.04948	22.4
119.08605	0.4
121.06495	0.8
121.10173	0.3
123.04462	0.2
128.69920	0.2
129.05493	1.3
130.04984	0.4
135.08130	0.2
147.04414	100.0
148.04764	0.4
164.07121	0.4
165.05518	0.8
165.80949	0.2
187.84181	0.2
233.08127	0.2
241.41113	0.2
261.75467	0.2
275.19937	0.2
293.10162	4.0
293.17383	0.4
293.20950	0.3
305.20770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1166
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
53.03954	1.2
55.01880	3.5
55.05517	1.2
56.96561	0.7
57.03428	0.6
60.04514	1.8
61.01157	10.2
67.05505	1.1
67.94507	0.5
69.03411	1.1
69.07068	0.9
69.81271	1.0
69.81680	1.9
71.04995	1.2
71.06129	1.0
72.04525	12.8
73.02930	2.5
73.78561	0.5
75.02708	1.0
77.00649	0.8
77.65240	0.5
78.03798	26.7
79.05486	1.0
81.03412	2.8
81.07066	3.4
83.04994	2.2
84.04510	1.7
84.08139	1.1
85.02913	20.4
86.06079	4.5
91.05472	1.4
93.07057	2.0
98.02415	1.6
98.06057	0.9
98.97581	0.6
99.04467	11.7
102.03778	39.0
102.05562	1.3
103.02168	4.0
103.03955	32.4
104.01691	1.6
105.07043	0.6
107.08597	1.3
109.02883	5.1
112.07609	1.0
114.03747	3.8
114.05488	3.1
115.02097	0.7
115.05052	1.3
115.08712	1.2
117.07009	0.5
118.03236	1.2
118.06487	0.6
120.04808	10.1
121.06490	0.8
126.05527	29.7
127.03931	11.6
130.05017	13.3
131.06396	18.2
132.04796	16.0
135.06621	0.5
135.11681	0.7
141.06598	1.7
145.04962	0.8
146.06012	0.7
147.04427	1.6
147.05901	2.3
149.07455	88.2
150.08905	0.9
152.07100	3.4
154.08621	3.2
156.06561	1.3
158.02733	1.7
164.07095	2.2
174.07680	0.8
175.05348	4.1
177.05447	1.1
178.08636	0.6
180.06573	21.3
182.12285	2.3
186.33333	0.6
191.08676	1.0
191.12813	4.7
191.62878	0.6
198.07655	6.9
199.11763	0.8
202.63599	0.6
211.11775	1.3
216.08710	4.5
222.08031	1.1
227.09521	0.6
229.12779	0.9
231.11630	7.2
232.66536	0.6
233.09595	1.5
250.10742	1.9
257.09598	2.9
275.10617	5.8
276.08841	0.8
293.11679	100.0
294.09790	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
55.05508	8.5
55.45458	1.6
56.05024	2.1
57.03439	15.0
61.02930	2.6
61.25775	2.0
61.37545	1.9
67.05489	6.0
69.03426	11.8
69.07043	1.7
71.01347	6.1
71.05000	38.6
73.02917	6.0
73.06562	1.5
75.04475	6.9
79.05496	2.5
81.03410	3.2
81.07057	5.5
83.04987	32.1
83.06122	4.0
84.04518	4.6
85.02905	100.0
87.04462	3.2
91.05473	7.5
93.07026	2.2
94.80623	1.8
95.04966	7.6
95.08605	2.5
95.66219	1.6
97.02862	2.5
97.06505	2.4
99.04462	3.9
101.06027	2.4
101.07111	2.1
105.07018	1.9
109.02895	7.1
111.04449	23.2
113.06030	5.1
118.05029	2.2
119.04937	14.3
121.06519	4.0
121.10057	1.6
125.06038	2.9
127.03922	2.7
129.05476	26.6
129.06599	12.7
130.05003	5.9
135.04427	2.2
137.05962	2.0
147.04414	63.2
147.06497	12.0
147.07666	4.8
149.05991	1.7
153.05463	18.1
155.12682	2.2
157.04933	3.2
159.06520	3.1
161.05956	2.1
161.98181	1.4
171.06529	9.0
201.07602	6.0
211.10928	1.6
213.07680	5.0
221.08064	2.6
234.76831	1.6
239.09126	9.6
242.14069	1.5
251.04047	1.6
257.10223	4.9
272.16589	1.8
275.11282	5.5
293.12057	6.0
293.17828	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16984	0.9
55.01868	2.8
55.05502	5.9
57.03442	11.7
59.04992	2.1
61.02922	2.2
65.03928	1.3
67.01858	1.6
67.05518	5.1
69.03433	9.5
69.07063	1.9
69.45579	8.1
71.01355	4.8
71.04996	37.4
72.08147	1.4
73.02901	4.9
75.04498	8.9
75.98935	0.9
79.05492	3.2
81.03421	2.8
81.07048	3.6
83.04985	25.3
84.08137	3.5
85.02909	100.0
85.06549	1.0
85.94536	0.9
86.09697	2.4
87.04456	4.2
91.05492	2.8
93.07047	1.9
95.04991	6.2
95.08620	3.2
97.02881	2.8
97.06500	2.2
98.02415	1.1
98.97576	4.6
98.98445	1.4
99.04476	4.8
101.06010	3.1
103.03919	1.2
103.05437	1.7
105.07034	2.0
107.04946	1.9
107.06763	1.1
107.08589	1.3
107.16669	1.0
109.02893	5.2
109.06508	2.0
111.03714	1.8
111.04451	25.5
113.02384	1.9
113.05995	4.4
115.05450	1.1
119.04947	1.5
121.06524	3.7
123.04429	2.5
123.08064	1.3
125.02391	0.9
125.05989	2.1
127.03901	2.9
129.05492	31.3
129.06961	1.2
131.04906	3.2
133.06470	1.9
135.04417	2.0
137.05954	3.8
139.03955	1.3
141.05444	1.3
141.06944	1.3
145.02802	1.7
147.04411	4.4
147.06549	10.9
149.05916	1.9
151.03885	1.6
151.07544	2.9
153.05496	14.1
157.04970	3.2
159.06549	2.4
161.05968	1.5
163.03885	3.8
163.07590	1.9
167.07050	1.5
169.06433	1.1
169.09923	1.2
171.06549	7.8
173.06131	1.4
175.07526	2.3
177.00613	1.5
177.05492	2.8
179.07089	1.7
183.06543	2.8
190.40416	1.0
193.08665	1.5
195.06451	1.9
201.07637	5.0
203.07066	2.9
205.08513	1.3
207.06454	1.2
213.07555	3.2
219.01801	1.4
219.14941	2.8
221.08215	1.3
223.42659	1.0
229.08537	1.2
229.13454	1.1
233.07956	1.5
239.09244	7.5
247.14442	4.7
250.06052	1.2
250.41850	1.2
257.10175	3.3
257.12839	2.4
275.11224	4.8
275.13919	7.0
293.12067	2.4
293.14932	11.2
293.20862	2.3
294.16891	1.3
306.61801	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81226	1.6
55.01868	2.9
55.05511	7.8
55.83278	1.6
57.03441	11.6
62.08147	1.5
67.05480	3.7
69.03438	6.5
69.07065	3.3
71.01343	4.2
71.04999	34.7
71.55923	1.6
72.08157	12.8
73.02911	4.7
75.04489	7.8
79.05493	2.9
81.03436	1.8
81.07029	2.6
82.99637	1.8
83.04990	24.4
84.08157	2.1
85.02912	100.0
87.04456	2.9
88.28166	1.7
91.05473	5.6
92.15027	1.5
93.07069	4.2
95.04975	7.7
97.02892	3.2
99.04446	6.7
101.06016	3.9
103.05484	8.7
105.07063	3.3
107.04950	2.3
107.08604	2.1
109.02892	5.7
109.06526	2.1
111.04456	26.7
113.06015	4.4
117.07023	5.0
119.08569	3.7
121.06483	5.5
123.04408	3.0
125.06023	2.1
127.03951	3.8
129.05507	24.8
130.04999	1.8
131.04932	28.6
131.08560	2.4
135.08078	4.6
137.05954	4.6
147.04417	5.9
147.06557	12.1
149.05995	4.5
151.03912	2.9
153.05493	19.1
157.04918	3.9
159.06587	2.9
159.08034	4.3
163.03944	2.6
163.07570	3.7
164.04349	2.5
171.06505	9.1
177.09085	3.9
183.06522	2.5
187.07559	2.0
193.08582	2.2
201.07596	6.1
205.08585	11.5
213.07620	2.9
235.07912	2.2
239.09241	11.5
241.22162	1.6
257.10217	4.7
274.27014	1.6
275.11249	6.7
275.20074	2.9
276.16037	4.0
293.08267	3.1
293.12103	4.7
294.09665	2.9
294.16925	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03957	1.3
55.01878	3.8
55.05516	11.4
56.65304	1.0
56.96559	2.7
57.03432	1.8
57.07081	3.1
65.03947	1.2
67.05513	22.4
69.03452	1.4
69.07076	20.7
71.04998	2.0
71.58535	1.4
73.20854	0.8
79.05495	13.0
81.06579	1.5
81.07062	27.3
81.84423	0.9
83.04994	6.3
83.08614	5.0
84.52601	0.9
85.06553	1.9
91.05484	15.5
93.07055	18.9
95.04979	6.5
95.08618	15.0
97.06538	2.9
97.10170	3.3
98.97576	2.3
100.72990	0.9
105.07038	17.6
107.04927	5.5
107.08604	12.6
109.06519	8.7
109.10159	11.7
111.08067	2.3
116.98607	1.8
117.07005	4.8
119.08598	11.6
121.06523	10.0
121.10163	6.8
123.08090	3.3
123.11708	3.4
129.07011	2.3
131.04933	1.4
131.08582	13.5
133.06517	2.6
133.10136	14.5
134.99635	0.9
135.08073	4.4
135.11728	4.5
137.09634	2.1
141.07036	0.9
143.08569	1.5
145.10126	9.3
147.08057	2.7
147.11693	9.9
149.09633	4.8
149.13268	2.7
151.11217	6.4
157.10162	3.5
159.08086	1.4
159.11684	5.6
161.09627	3.6
161.13301	2.4
163.11218	4.2
163.12515	1.1
163.14859	1.3
165.12788	1.1
169.10074	1.6
171.11769	2.6
173.09709	1.8
173.13254	2.9
175.02657	1.3
175.11241	2.6
177.12781	1.3
183.11717	1.8
187.11220	1.9
187.14828	1.2
189.12749	1.4
191.14352	2.5
192.19524	1.0
201.12753	2.0
207.13860	2.2
215.14342	1.3
215.18112	1.6
219.13847	5.6
229.19463	1.9
231.17557	0.9
239.18027	2.6
247.08681	1.2
247.20625	1.6
257.19028	12.6
275.20084	100.0
293.21118	30.2
293.24289	2.0
310.62244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03948	1.1
55.01871	4.0
55.05511	13.5
57.03439	15.1
57.07062	4.3
60.08173	2.4
62.84224	1.0
65.03929	1.9
67.05508	38.6
68.05817	1.0
69.03432	1.3
69.06729	1.0
69.07072	12.9
69.35374	9.2
71.04981	1.4
71.07372	2.3
71.08604	1.2
79.05067	1.4
79.05497	22.1
81.03413	2.0
81.07062	36.8
82.07394	1.4
83.04976	3.8
83.08632	7.0
85.06532	4.2
86.09710	12.0
87.10052	1.1
91.05488	25.9
93.07050	27.3
95.04968	5.3
95.08611	30.7
96.08912	1.2
97.06525	3.6
97.10165	4.1
98.21490	1.4
98.98446	1.7
99.04444	3.6
99.08076	1.2
104.10751	19.2
105.04467	1.2
105.07032	20.9
105.11075	2.9
107.04943	4.5
107.08605	15.2
109.06527	7.1
109.10160	9.4
111.08074	2.9
117.07008	12.4
119.08587	20.2
121.06499	3.6
121.10153	12.1
123.08057	5.3
123.11703	3.6
125.00014	10.9
125.09624	1.5
129.06992	3.5
130.54099	3.9
131.04166	2.9
131.08585	16.2
131.53986	1.6
133.10141	13.9
135.08076	2.3
135.11676	6.2
136.93095	1.2
137.09602	3.9
137.13211	1.2
143.08574	2.7
145.10158	7.3
147.11684	7.3
149.09607	3.5
149.13223	2.1
149.54886	10.8
150.04961	12.0
150.54755	7.0
151.11194	2.8
154.94164	4.6
156.97554	1.8
157.10146	2.4
158.55386	4.6
158.97189	1.8
159.05521	3.8
159.11714	5.7
159.55261	3.1
161.05675	2.5
161.13205	3.0
161.55772	4.6
162.05609	3.1
163.11191	3.0
165.12733	1.1
167.10634	1.2
167.19746	0.9
170.56348	1.9
171.06067	1.5
172.95245	2.7
173.13257	3.4
175.14841	1.3
181.02574	3.2
181.12357	1.0
182.99048	2.2
183.10294	1.3
184.07365	3.8
185.13268	5.6
187.11111	1.0
191.14333	1.1
201.00021	1.4
201.16318	5.5
203.14351	2.8
209.11783	1.8
209.15253	1.8
219.17456	100.0
221.15410	1.9
228.97887	1.9
237.11108	5.6
240.09978	17.8
241.10355	2.9
242.06403	1.8
244.06229	1.5
247.20735	1.5
257.18912	3.6
272.15906	7.3
272.65952	5.4
273.11313	1.3
275.20096	30.4
281.08331	2.0
281.16470	2.7
282.07617	1.9
292.67105	1.3
293.21133	17.3
293.24316	1.9
301.67822	1.5
304.22040	2.3
305.21594	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.88899	2.1
53.03951	11.0
55.01880	27.4
55.05516	40.1
56.96565	6.5
57.03436	5.3
57.07072	9.1
58.16861	2.4
65.03951	4.3
66.22626	2.3
67.05508	68.8
69.03437	22.7
69.07070	34.7
71.04990	6.6
71.32106	5.4
79.05495	51.2
81.03430	25.9
81.07066	93.6
83.04993	11.4
83.08629	20.1
85.06543	4.2
88.39140	2.3
91.05486	47.4
93.07053	41.4
95.04981	24.6
95.08614	58.9
97.06536	18.7
97.10167	9.7
98.97575	5.3
99.04452	2.7
104.10705	3.1
105.06405	3.6
105.07046	50.5
107.04961	21.2
107.08605	39.5
109.06535	18.2
109.10169	26.5
111.04438	6.3
111.08105	3.7
117.07007	16.5
119.08591	41.5
119.09371	4.3
121.06499	9.5
121.10153	21.0
123.04441	3.6
123.08058	15.4
123.11716	7.3
125.06033	2.4
125.09623	25.9
131.00212	5.4
131.08600	19.8
131.65675	2.2
133.10150	38.9
135.08069	9.7
135.11711	15.2
136.93126	3.0
137.09601	7.0
143.08665	3.2
145.06419	4.1
145.10150	22.7
147.11673	19.7
149.01212	9.5
149.09631	12.9
149.13252	6.9
151.11220	11.4
153.05533	2.2
154.94165	5.7
157.10141	4.4
159.08037	3.0
159.11696	16.8
161.09592	5.1
161.13225	8.0
163.11234	10.9
165.09132	8.6
165.12762	4.4
167.02359	4.3
169.10201	4.5
171.11690	3.5
172.95345	3.5
173.09694	3.4
173.13202	7.1
175.14848	2.6
177.12785	10.9
179.14339	3.1
181.12215	3.2
183.11732	3.4
187.11218	6.6
187.14835	4.0
191.10643	4.1
191.14316	4.9
195.13837	3.1
201.16470	5.2
205.12206	3.1
209.11729	5.8
219.17499	6.7
223.13278	4.1
228.97937	2.6
229.19516	5.0
237.11240	15.4
239.17984	5.2
246.98799	2.7
247.20619	7.7
250.30243	2.5
257.19019	11.7
275.20074	100.0
287.55145	2.3
293.05466	6.1
293.21072	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.32420	1.6
53.03952	4.4
55.01879	8.4
55.05517	24.7
56.96561	7.7
57.03430	6.5
57.07082	3.4
65.03957	2.5
67.05508	43.8
67.35080	1.9
67.91834	1.7
69.03412	5.0
69.07073	20.7
70.43019	1.8
71.04987	4.1
71.08631	1.9
71.57891	3.2
74.48190	1.6
79.05499	44.6
81.03419	7.4
81.07063	85.9
83.04987	11.4
83.08625	17.5
85.02905	3.5
85.06535	6.0
90.18240	1.8
91.05489	32.6
93.07060	29.1
95.04978	11.8
95.08610	36.5
97.06555	9.1
97.10186	12.2
97.70065	1.7
98.97587	5.4
99.08084	2.1
103.05476	3.5
105.07037	37.2
106.00749	1.6
107.04969	10.7
107.08599	31.0
109.06525	36.3
109.10191	20.7
111.08074	7.0
113.05965	2.1
116.98630	3.2
117.07022	8.1
119.05030	1.8
119.08589	24.0
121.06536	14.0
121.10139	20.0
123.08086	9.7
123.11707	7.9
125.09612	15.9
125.26923	2.1
127.07578	2.1
129.07039	5.2
131.04955	2.2
131.08572	20.7
133.06497	2.7
133.10138	26.7
135.08061	7.3
135.11725	9.7
137.09621	9.4
137.92072	1.8
139.11237	2.2
143.08571	2.7
144.70631	1.8
145.10123	17.4
147.04369	1.8
147.08133	2.2
147.11688	19.2
149.09596	11.7
149.13268	6.9
151.11217	6.9
153.09093	2.2
155.08591	2.1
155.10625	3.1
157.10161	5.1
159.08073	2.2
159.10632	1.8
159.11723	12.5
161.09586	4.1
161.13260	5.3
163.11174	11.1
163.14815	2.0
164.69984	1.6
165.09059	2.8
165.12740	3.2
169.10190	2.7
171.11707	3.1
173.13274	7.8
175.11203	4.3
175.14998	2.2
177.12770	4.1
179.10681	2.5
183.11702	2.9
185.13298	2.3
187.11244	2.9
187.14804	2.1
189.11275	10.0
189.12677	2.4
191.14273	2.1
193.12257	3.8
197.13292	3.0
207.13860	2.6
215.17952	3.5
223.13177	2.2
229.15808	2.8
229.19620	4.8
233.15443	1.8
239.17973	7.4
241.11259	3.4
247.20598	8.2
252.08725	6.0
253.11212	5.7
256.84460	1.8
257.18976	12.2
259.12201	2.9
265.21698	3.2
270.10864	2.0
270.30771	1.9
271.12219	7.5
275.20078	100.0
293.12897	2.9
293.17624	2.9
293.21094	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	4.3
55.01662	1.6
55.01877	19.6
55.05516	30.7
56.96555	2.5
57.03437	3.8
57.07074	5.2
59.20025	1.9
61.65455	1.4
65.03951	1.6
67.05512	34.2
69.03431	3.5
69.07072	19.7
70.22287	1.6
71.04972	2.6
71.08287	2.9
71.08625	3.8
71.09526	1.4
72.07452	1.6
79.05060	3.3
79.05501	49.5
81.03416	5.5
81.07063	34.3
82.63923	1.7
83.04976	5.7
83.08625	17.1
85.06566	4.0
91.05482	31.1
93.07057	27.2
95.04970	22.0
95.08613	23.0
97.06535	27.2
97.10166	15.7
99.08099	2.3
105.07039	32.7
107.04970	10.2
107.08604	70.9
109.06537	9.0
109.10171	13.7
111.04419	3.7
111.08075	3.2
113.73809	1.7
117.07024	8.8
119.08586	19.9
121.06537	4.0
121.10162	11.3
123.08051	4.2
123.11725	3.9
125.09639	19.2
129.07062	2.0
131.04903	1.8
131.08577	13.6
133.10139	20.2
135.08084	5.1
135.11688	7.9
137.05989	19.3
137.09622	3.7
143.08627	1.7
145.10143	15.3
147.11716	14.2
149.09650	19.7
151.11200	6.6
155.08661	2.0
157.10144	2.2
159.11708	7.2
161.09673	3.2
161.13254	2.5
163.11169	10.7
165.09200	4.5
165.12718	2.8
169.10040	2.3
171.11603	2.3
173.13246	2.9
177.12770	4.5
181.04967	3.9
181.12234	3.4
187.11064	2.6
189.11229	12.5
191.10706	2.4
194.13342	1.9
197.13240	2.0
209.11700	3.4
223.13347	7.9
229.07463	6.8
229.19646	4.7
237.11287	8.1
239.17996	5.1
247.08580	2.7
247.20580	4.2
257.18991	12.5
275.20071	100.0
293.18286	2.4
293.21194	30.4
297.42828	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	4.4
55.01869	8.7
55.05512	38.0
56.96569	1.9
57.03419	5.8
57.07068	1.8
65.03934	2.1
67.05508	58.2
69.03423	2.9
69.07063	23.8
70.17831	7.4
71.04981	5.2
77.03936	2.0
79.05492	59.2
81.03409	5.8
81.07062	92.6
83.04977	8.5
83.08618	17.7
85.06526	4.0
91.04972	2.9
91.05487	45.2
93.07042	39.5
95.04980	13.8
95.08611	38.7
97.06517	5.0
97.10162	18.8
99.08099	2.1
105.07029	44.6
107.04952	7.9
107.08594	41.7
108.27888	1.9
109.06512	20.3
109.10162	24.5
111.08104	6.3
112.15022	1.7
113.06019	1.9
117.07014	15.6
118.21152	1.9
119.08585	37.2
121.06494	6.2
121.10163	17.5
123.08086	8.9
123.11674	6.6
125.09613	12.2
129.07031	3.3
131.08571	21.0
133.10133	34.9
135.08067	11.2
135.11647	9.2
137.09615	11.2
139.11160	2.1
141.06956	3.1
143.08586	5.2
145.10112	20.5
147.11707	18.3
149.09636	12.5
149.13228	5.5
151.11147	10.0
153.09073	2.2
155.08549	2.1
157.10133	5.6
159.10466	1.8
159.11671	10.5
161.09561	2.4
161.13260	5.4
163.11154	6.2
165.12747	3.1
167.10649	2.8
169.10129	2.1
171.11688	7.6
173.13261	8.3
175.11243	4.3
177.12711	2.8
181.12294	3.0
183.11661	4.1
185.13283	2.1
189.11296	8.5
191.14175	1.9
192.23170	1.9
197.13304	3.3
207.13792	2.1
219.17358	2.2
229.19418	2.8
239.17970	7.5
247.20557	5.5
257.19073	17.6
275.20065	100.0
293.21100	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	5.5
55.01878	6.2
55.05515	17.5
56.96564	2.6
57.03428	5.2
57.07069	2.0
65.03931	2.6
67.05507	41.4
69.03423	2.9
69.07073	18.4
69.79945	2.4
69.80354	5.1
71.04974	3.8
79.05496	41.9
81.03434	5.1
81.07062	82.8
83.04973	4.9
83.08620	11.4
85.06525	3.5
91.05489	31.6
91.97975	1.1
93.06469	1.9
93.07048	36.7
95.04974	12.0
95.08613	28.8
97.06547	7.5
97.10157	4.4
98.20961	2.5
98.21502	1.3
98.97575	4.2
99.08091	1.6
100.97215	1.3
103.05487	1.2
105.07036	30.8
107.04971	6.5
107.08599	24.7
109.06524	26.8
109.10152	15.3
110.97565	2.2
111.08092	5.6
116.98578	1.5
117.07049	7.1
119.07922	1.1
119.08585	27.7
121.06490	8.6
121.10145	15.4
123.08075	9.1
123.11712	5.1
125.09630	6.2
128.98602	1.3
129.06996	3.2
131.00197	1.5
131.04849	1.0
131.08582	17.4
133.10139	21.0
135.08058	6.3
135.11711	8.3
137.09634	7.0
139.11186	2.5
143.08560	3.7
145.10138	13.7
147.04399	1.2
147.11702	15.6
149.09616	11.8
149.13266	5.1
151.11215	5.7
155.08592	2.8
157.10144	4.7
159.08015	1.2
159.11720	9.1
161.09602	2.1
161.13283	6.9
163.11188	8.0
163.14825	1.5
165.09129	2.6
165.12755	4.1
167.10629	1.5
169.10107	3.8
171.11681	3.4
172.00055	1.3
173.09663	2.8
173.13300	8.0
175.11220	3.1
175.14748	1.8
177.12781	3.2
179.10648	1.4
179.14330	1.6
183.11723	2.6
185.13268	2.4
187.11197	1.1
187.14822	2.6
189.11224	2.6
189.12791	1.7
191.14400	1.4
193.12286	2.6
197.13223	2.0
199.14868	2.1
203.14314	1.8
203.66029	1.0
205.12126	1.8
209.23418	1.0
211.14815	1.3
215.18001	1.4
217.15839	1.3
219.17473	2.8
221.15451	2.5
223.13330	2.0
229.19507	3.6
233.15393	1.9
233.19016	2.2
239.18034	7.6
247.20695	7.5
249.18336	2.5
251.03345	1.3
257.19016	12.4
275.20078	100.0
293.21106	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03929	4.1
55.01876	9.0
55.05516	27.6
56.11864	1.6
56.96538	1.8
57.03431	6.9
57.07064	3.6
63.62512	1.8
65.03942	1.8
67.05186	3.0
67.05511	42.7
69.03415	3.5
69.06566	1.3
69.06699	2.0
69.07066	21.3
69.49426	12.2
71.04987	3.7
79.05065	3.1
79.05499	52.4
81.03412	7.2
81.07061	100.0
83.04995	7.9
83.08614	12.0
85.06553	2.1
91.05485	43.5
93.07054	38.6
95.04975	14.7
95.08600	35.2
97.06570	11.2
97.10159	5.8
105.07036	41.0
107.04963	8.3
107.08601	42.9
109.06511	26.5
109.10164	18.8
109.80669	1.5
111.08062	7.1
115.05492	2.2
117.06994	10.9
117.36397	1.5
119.08585	37.8
121.06480	3.8
121.10153	17.3
123.08086	14.1
123.11688	6.2
125.09628	6.5
129.06944	3.3
131.08583	15.2
133.10147	31.6
135.08073	8.7
135.11679	7.8
137.05960	6.0
137.09625	10.1
143.08548	2.3
145.10152	16.6
147.08063	2.0
147.11691	21.3
149.09625	13.9
149.13245	6.7
151.11180	5.0
155.08595	1.9
157.10147	5.1
159.11719	10.5
161.13248	6.1
163.11176	6.3
165.12778	5.4
169.10086	2.1
171.11623	3.3
173.13295	5.9
175.11165	5.6
175.14925	2.5
177.12753	2.6
183.11763	2.7
185.13206	1.9
187.11259	2.3
187.14769	3.1
189.11206	3.1
189.12712	2.2
197.13161	2.2
201.16495	2.1
203.14282	2.5
205.12329	2.1
219.17458	4.5
229.19472	5.7
235.16937	3.7
239.17990	7.4
247.20551	6.6
257.19064	10.0
275.20084	86.1
281.15457	1.7
293.17719	3.3
293.21088	37.4
295.05103	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03948	3.9
55.01880	10.5
55.05514	38.2
56.96573	3.4
57.03426	4.3
57.07089	2.3
65.03931	4.1
67.05508	46.3
67.73423	1.6
69.03429	4.3
69.07072	20.0
69.41114	11.5
69.41521	2.7
71.04986	4.9
79.05502	52.6
79.05968	2.6
81.03403	6.4
81.07067	46.1
83.04986	6.9
83.08633	22.6
85.06560	2.2
91.05488	42.4
93.07053	38.3
95.04985	17.8
95.08613	31.5
97.06528	9.5
97.10178	23.3
105.06518	1.0
105.07037	39.9
107.04984	8.2
107.08604	94.8
109.06524	10.6
109.10168	18.0
111.08078	3.8
111.11705	1.9
117.07005	11.5
119.08588	30.0
121.06561	3.5
121.10150	23.0
123.08054	5.8
123.11706	5.4
125.09645	18.2
126.88716	1.9
129.06978	4.5
131.08578	13.1
133.10153	24.0
135.08060	8.0
135.11719	6.4
137.09636	12.1
139.11165	6.0
143.08484	2.3
143.41954	1.7
145.10109	16.5
147.11679	16.4
149.09627	14.9
149.13306	3.1
151.11110	4.2
155.08667	1.9
157.10127	2.8
159.11697	11.6
161.13292	5.6
163.11208	6.7
165.09203	2.4
169.10110	1.9
171.11702	3.2
173.11830	2.5
173.13283	6.6
177.12712	2.5
181.12241	4.5
183.11690	2.1
187.11272	3.2
187.13289	2.9
189.11238	14.4
195.13940	1.8
203.12816	4.6
215.17912	1.7
223.13432	3.0
229.19432	3.8
239.17973	5.8
247.20586	5.0
257.19037	12.9
275.20087	100.0
293.17651	3.6
293.21057	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03931	1.8
55.01860	3.5
55.05311	0.9
55.05515	10.2
57.03430	1.5
62.95262	1.0
67.05169	1.6
67.05504	20.0
69.03422	1.3
69.07069	19.2
70.03448	4.6
71.04987	1.3
79.05490	16.4
81.07059	21.4
83.04990	5.7
83.08594	3.9
85.06559	1.6
91.05474	14.6
93.07043	17.1
94.62493	1.2
95.04968	6.1
95.08610	16.6
97.06535	2.0
97.10147	2.7
97.41283	1.0
98.31346	1.1
105.07024	19.4
107.04958	5.4
107.08594	11.2
109.06521	7.8
109.10165	7.6
117.06988	5.2
119.08585	10.4
121.06501	9.0
121.10167	7.1
123.08046	4.1
123.11679	1.8
129.07011	2.0
130.07782	1.1
131.04892	1.2
131.08572	11.1
133.06491	2.4
133.10133	12.3
135.08017	3.3
135.11673	5.1
137.09642	2.5
143.08571	2.4
145.06499	1.3
145.10150	9.0
147.11740	7.2
149.09612	4.1
149.13263	1.4
151.11185	6.5
157.10089	2.7
159.08086	1.2
159.11720	5.9
161.09631	3.5
161.13261	2.8
163.11139	2.6
165.12709	1.2
169.10170	2.1
171.11671	2.7
173.09641	1.6
173.13243	4.9
175.11125	1.7
176.68703	1.1
177.12804	2.1
183.11716	2.3
187.11203	1.3
191.14268	2.7
201.12796	2.0
201.16397	1.2
207.13718	2.5
215.18079	1.2
219.13843	5.3
229.19475	2.3
231.17273	1.4
239.17921	3.3
247.20473	2.4
257.18988	13.8
275.20065	100.0
278.93848	1.1
293.21112	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03935	3.4
55.01633	3.2
55.01877	58.3
55.05517	30.5
57.07076	2.4
61.22824	2.1
66.28727	2.1
66.85551	2.1
67.05512	36.7
69.07076	18.7
69.47650	14.1
69.48045	4.4
71.04972	3.8
79.05499	52.5
81.03436	2.5
81.07059	29.8
83.04980	14.5
83.08607	11.2
91.05471	25.5
93.07054	30.2
95.04960	8.1
95.08617	12.4
97.06540	100.0
97.10177	11.1
105.07047	21.5
107.04974	28.2
107.08603	35.8
107.27004	2.2
109.06522	4.4
109.10154	14.0
111.08112	4.1
117.07011	7.7
119.08570	15.3
121.06523	2.6
121.10146	13.8
123.11707	2.4
125.09628	11.5
129.06926	2.2
131.08575	10.2
133.10136	18.9
135.08018	7.2
135.11670	4.9
137.09644	4.0
139.07538	2.3
145.10121	6.9
147.11720	11.8
148.30247	2.0
149.09634	41.1
149.13225	2.6
151.11182	4.8
153.09070	3.8
159.11667	5.9
161.13249	2.4
163.11131	8.1
163.14874	2.6
164.61383	2.1
165.09006	2.8
171.11794	2.2
173.11853	2.1
173.13249	7.2
177.12732	1.9
179.14301	7.4
187.14790	2.2
189.11223	7.1
189.89461	1.8
209.15445	2.7
229.19501	7.0
234.14037	1.9
239.17865	2.1
247.20555	6.4
257.19110	12.6
275.20074	83.6
293.21005	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03956	5.1
53.04166	0.9
55.01874	10.6
55.05263	1.3
55.05513	20.7
57.03424	2.8
57.07056	4.0
57.07327	0.9
65.03925	2.2
67.05506	40.5
69.03429	4.4
69.07069	26.9
69.27661	2.1
69.28060	8.9
71.04978	3.5
71.08620	1.3
73.06557	0.9
79.05497	33.5
81.03410	7.0
81.07059	65.1
83.04969	7.2
83.08621	14.4
85.02937	1.8
85.06536	2.6
91.05480	27.8
93.07043	30.4
95.04970	10.1
95.08610	34.4
97.06535	16.9
97.10171	9.0
98.97582	3.2
99.08090	2.5
103.05457	3.9
105.07030	32.6
105.07581	0.7
105.07752	1.1
107.04948	6.9
107.07861	2.0
107.08591	38.6
109.06532	12.3
109.09459	1.5
109.10160	17.9
111.08083	4.2
111.11738	1.3
113.09648	0.9
117.07014	7.4
119.07790	1.7
119.08586	23.1
121.06486	6.2
121.10149	13.6
123.08060	6.8
123.11699	8.5
125.09630	8.8
129.07010	2.5
131.04918	10.4
131.08575	13.3
133.06464	2.0
133.10133	20.2
135.08073	6.3
135.11703	9.9
137.09650	6.3
137.13239	2.9
139.11166	1.7
141.06982	1.2
141.09154	1.1
143.08595	2.0
145.06470	1.9
145.10115	14.2
147.04387	1.9
147.08008	1.4
147.11688	16.7
149.09631	15.3
149.13266	5.3
151.11154	5.0
151.14844	1.7
153.08945	0.9
153.12727	1.5
155.08571	3.0
157.10132	3.3
159.11688	9.5
161.09607	1.6
161.13242	4.5
163.11183	8.1
163.14807	2.8
165.09123	5.0
165.12791	3.4
167.14400	0.9
169.10114	1.9
171.11665	3.1
173.09651	1.5
173.13216	6.0
175.11192	2.9
175.14949	1.2
177.12726	3.2
177.16576	1.1
179.10687	1.1
179.14337	1.1
180.06561	3.5
181.12300	1.2
183.11688	1.2
185.13171	1.3
187.11163	2.9
187.14795	1.8
189.11200	4.9
189.12766	2.1
191.14291	1.3
193.12224	1.6
195.13847	1.3
197.13300	2.0
199.14752	1.1
201.12714	1.5
205.06413	2.1
211.14868	1.3
215.14403	1.2
219.21048	1.4
222.06549	1.3
223.13364	1.2
229.19542	4.0
233.05957	3.0
233.18999	2.4
239.17981	5.3
247.20587	5.0
250.06284	2.0
257.19009	13.8
261.05435	1.8
265.21649	2.7
269.02237	1.0
275.20074	100.0
276.20386	1.2
278.05911	1.5
293.08228	8.7
293.11508	2.0
293.21082	31.2
293.28342	4.2
294.13345	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	4.4
54.71524	1.2
55.01874	14.2
55.05270	1.8
55.05516	22.1
56.96562	5.1
57.03431	4.1
57.07079	2.2
65.03946	2.3
65.23996	1.4
67.05507	30.1
69.03429	1.4
69.06728	1.7
69.07076	17.0
70.55061	1.5
70.55392	2.7
71.04991	3.2
79.05495	37.8
81.03400	3.7
81.07063	41.3
83.04980	4.0
83.08613	13.9
85.06535	4.3
85.59918	1.3
91.05480	32.3
93.07048	34.7
95.04963	9.4
95.08613	23.1
97.06538	21.0
97.10184	15.1
98.97573	3.1
99.08103	1.5
101.06028	1.7
103.05457	3.0
105.07034	36.4
107.04974	7.7
107.08600	72.1
109.06532	9.7
109.10172	9.8
111.04457	1.3
111.08084	3.2
111.98495	1.2
116.98608	2.1
117.07039	11.1
119.06052	1.8
119.08595	23.6
121.06479	6.4
121.10143	15.3
123.04401	1.8
123.08097	5.3
123.11736	3.3
125.09631	10.6
129.07016	3.5
131.04904	2.1
131.08562	14.6
133.10143	26.7
135.08051	6.2
135.11655	6.8
137.09564	3.1
137.13290	1.5
141.07069	1.6
143.08562	3.7
145.06458	3.0
145.10121	17.8
147.11702	14.7
149.05975	3.0
149.09644	14.3
149.13197	2.1
151.11205	3.2
155.08641	1.6
157.10104	3.5
159.08090	2.3
159.11696	13.6
161.09595	2.4
161.13271	6.7
163.03954	5.1
163.07527	3.5
163.11174	6.2
165.09116	3.1
169.10159	2.7
171.11646	2.4
173.09706	2.3
173.13275	4.8
175.07593	2.0
175.11200	3.1
175.14911	2.2
177.05484	56.8
178.06259	50.0
179.10655	1.3
179.14500	1.4
181.12267	3.0
183.11719	2.8
185.13289	4.5
187.11316	6.6
187.14832	1.8
189.11217	11.1
191.07019	14.0
191.10585	3.5
193.08690	2.0
197.13362	2.3
201.16319	2.0
203.14354	5.0
205.12216	8.6
215.10704	4.9
219.17407	11.0
221.15375	7.0
229.19495	3.3
230.12704	1.5
233.11728	72.7
239.17950	5.6
247.20555	3.1
257.19031	14.5
269.92517	1.3
275.20081	100.0
293.17520	2.3
293.21005	17.8
293.28018	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05516	8.2
57.01365	1.2
57.07079	2.5
61.49825	1.1
65.03944	2.7
67.05508	86.5
69.07071	7.5
69.79669	5.4
77.47879	1.2
77.86886	1.1
78.37052	1.1
79.05500	11.1
81.07061	100.0
82.46861	1.2
83.04957	1.9
83.08617	5.4
91.05491	4.4
93.07062	11.5
95.08613	75.9
97.06498	2.6
97.10159	3.5
98.20841	2.4
101.06041	1.3
105.07050	4.1
107.08598	7.8
109.06506	1.9
109.10165	43.4
111.11722	1.3
111.92884	1.2
119.08568	6.2
121.10138	8.1
123.08028	1.7
123.11716	33.2
129.09213	1.2
131.08545	4.3
133.10170	3.6
135.11678	5.9
137.09619	2.3
137.13261	12.9
145.10144	3.6
147.11714	3.4
149.09624	2.0
149.13257	3.1
151.11166	3.4
151.14809	3.3
159.11673	2.5
161.13235	2.9
163.11133	1.7
163.14868	1.8
165.12746	2.2
173.13268	4.8
175.14780	1.1
177.12776	1.4
177.16380	2.1
179.14270	2.3
181.12311	1.4
187.14851	2.4
188.23586	1.4
191.14345	2.7
195.13765	1.5
201.16472	2.0
205.15842	2.6
209.11754	3.0
237.11195	6.2
237.18507	2.1
243.21088	9.0
247.31863	1.4
251.20207	1.3
261.22113	9.8
275.20087	1.7
293.13571	1.5
293.21588	2.1
293.24753	41.4
293.28055	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	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.84112	0.7
52.16387	0.7
53.03939	2.0
55.01865	1.3
55.05514	12.7
57.03431	0.7
57.07072	3.8
59.04994	0.9
65.03938	3.2
67.05509	94.3
69.07070	10.5
71.04993	2.0
71.08609	0.7
71.58070	0.9
73.06579	1.0
79.05495	19.4
81.03446	1.0
81.07061	100.0
83.04980	2.1
83.08615	9.1
85.06554	2.9
91.05478	10.9
93.07051	21.3
95.04977	4.0
95.08610	87.5
97.06524	6.0
97.10183	4.8
99.08108	2.3
103.05458	0.8
105.07033	11.8
107.04995	0.9
107.08596	16.0
107.09287	1.1
109.06516	4.0
109.10161	37.4
111.04424	1.1
111.08096	3.7
111.11737	1.0
117.07021	4.6
119.08587	10.9
121.06518	1.7
121.10148	13.8
123.08080	3.8
123.10819	1.2
123.11715	19.8
125.05961	0.7
125.09632	2.9
129.07051	1.4
131.08575	9.9
133.10138	9.8
135.08086	2.2
135.11700	9.5
137.09639	4.0
137.13260	11.0
139.11247	0.9
141.06973	1.2
143.08620	1.0
145.10117	8.5
147.11691	7.0
147.73251	0.7
149.09631	8.2
149.13263	6.9
151.11151	3.7
151.14821	4.6
153.05594	0.9
155.08542	1.1
157.10139	1.4
159.11736	6.8
161.13234	3.9
163.11186	8.3
163.14830	4.0
165.12798	2.4
165.16438	2.2
169.10150	1.2
171.11731	1.4
173.09653	0.8
173.13239	9.2
175.11292	1.4
177.12750	5.3
177.16386	2.6
179.10815	0.7
179.14394	2.9
181.12267	1.0
183.11697	1.0
185.13277	0.7
187.14841	4.7
191.14354	2.9
197.13347	1.0
201.12883	1.0
201.16429	1.3
205.15907	2.1
209.15396	1.9
215.17932	0.9
219.21169	1.4
223.16980	1.8
229.19565	1.6
233.22649	1.0
237.11346	2.4
237.18594	1.6
239.17995	5.5
243.21062	7.2
257.19012	7.3
261.22098	8.8
275.20068	35.6
293.21237	7.9
293.24847	20.0
293.28101	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03948	3.0
55.05266	2.1
55.05511	25.3
57.07080	20.4
58.79903	1.2
67.05507	28.0
69.03432	2.0
69.07070	60.7
69.32555	8.1
69.32967	2.7
71.04981	2.1
71.08636	8.8
79.05502	8.0
81.07059	95.2
83.08625	39.2
85.06551	14.6
85.10190	2.8
91.05470	3.9
93.07051	24.8
95.08611	100.0
97.06531	3.5
97.10177	20.2
98.97604	3.3
99.08102	7.2
105.07027	3.6
107.08599	30.3
109.10162	59.0
109.10928	2.7
111.08074	7.8
111.11725	13.2
113.09596	2.6
119.08573	1.7
121.10149	17.1
123.11714	47.7
125.09635	3.3
125.13260	5.1
131.04956	6.9
135.11659	9.5
137.13258	35.6
139.11163	1.7
147.04387	3.4
149.13268	28.8
151.14822	6.6
153.12723	4.1
163.14854	9.2
165.16415	6.1
165.17656	1.3
167.14320	17.2
169.15930	1.6
177.16388	4.0
179.17915	4.4
191.17894	2.3
193.19623	2.8
205.19487	2.6
219.21085	3.4
220.55084	1.2
223.20596	1.4
229.07672	1.8
247.08687	1.5
249.25696	3.4
275.27386	9.6
291.03870	1.5
293.08865	3.4
293.28391	65.5
297.67300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0973
Annotation	Megistonine II
Peak:m/z	Relative Intensity
53.70015	0.4
55.01868	1.4
61.29698	0.5
67.05484	0.4
69.03436	0.4
71.05027	0.4
71.57116	0.5
73.02920	6.7
77.34620	0.4
79.05476	0.7
84.08138	2.1
85.02921	0.5
87.46966	0.5
89.03952	0.5
91.05481	3.4
93.07055	0.7
95.04974	0.4
96.32114	0.4
98.97569	0.4
103.05442	0.6
116.05044	0.9
117.05759	2.4
117.06997	0.4
118.06564	6.0
119.04961	1.0
120.08109	0.5
121.06509	4.2
130.06531	9.4
131.07242	0.7
132.04440	1.4
134.09634	1.3
136.07607	0.6
144.04440	1.9
144.08109	1.3
146.06021	16.6
147.04410	4.0
148.07562	0.5
158.99681	0.5
162.05507	1.7
163.03940	0.6
164.07095	0.9
165.05505	0.6
172.03917	0.5
174.05511	1.4
176.07068	1.2
177.05508	0.5
178.08653	17.5
188.07164	3.9
190.05009	0.9
190.08623	7.6
191.09431	1.3
192.06578	1.8
198.05470	0.8
204.06725	0.6
216.06619	6.7
218.08122	14.3
234.07585	8.8
244.06108	3.1
244.69397	0.4
248.09207	14.6
250.10765	87.5
252.08688	1.3
262.07114	5.1
276.08713	7.4
294.09729	100.0
294.64954	0.7
295.09448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01879	10.3
55.05509	4.2
56.96563	11.3
57.03444	19.2
57.07086	1.8
59.04993	2.7
60.04516	3.4
60.37070	1.2
61.02929	12.5
67.05496	6.3
69.03434	43.9
69.07068	3.6
69.89575	7.0
69.89980	3.5
70.06589	6.5
71.04988	5.5
72.04528	9.5
72.08167	10.3
73.02614	1.6
73.02933	15.4
73.06561	5.2
74.14539	1.4
77.00948	1.3
79.05486	3.6
81.03426	13.6
81.07066	12.1
83.04988	3.5
84.04506	2.7
84.08150	14.3
84.96074	1.6
85.02914	100.0
85.06543	3.0
86.03218	2.4
86.06094	1.5
86.09708	17.7
87.03196	4.0
87.04444	4.0
88.03998	4.1
89.03903	2.7
90.09209	10.5
91.03956	4.7
91.05476	6.1
93.07046	5.8
95.04974	1.8
97.02278	2.9
97.02905	39.8
98.97591	18.4
99.04483	11.1
101.00886	7.2
101.02363	3.5
102.00956	2.4
103.05463	3.9
107.01848	1.5
107.04945	5.7
107.08606	2.2
109.02911	9.8
109.06532	4.6
109.10173	2.8
110.97578	2.3
111.02081	2.2
111.04469	1.9
113.00861	1.6
114.06039	4.6
114.09175	33.2
115.02440	4.5
115.03941	5.0
116.07157	1.5
116.98620	7.5
117.03432	2.8
119.01942	11.0
120.01976	3.7
120.08086	1.6
121.06506	19.6
123.11729	2.5
127.03927	39.4
127.04810	3.2
128.98610	3.7
129.03087	4.6
129.03955	2.8
129.06570	2.7
129.10240	2.2
130.08676	2.8
131.00139	2.7
131.01935	6.5
131.05400	2.0
132.04800	2.8
132.09210	3.6
132.10216	71.2
133.03476	6.9
133.04976	2.9
133.06897	2.2
135.04419	4.4
135.06592	5.0
137.05991	14.2
139.06801	1.6
140.05994	2.0
141.06561	2.1
141.53236	1.6
142.03641	1.6
143.00179	3.2
143.01904	9.1
143.04544	1.7
143.05643	2.2
144.02054	6.2
144.07118	3.0
145.01730	2.0
145.03549	4.4
145.04977	20.8
145.06985	1.5
146.03548	1.8
147.05177	3.3
147.06560	6.4
150.07083	7.5
151.11205	5.1
155.01892	2.6
155.07036	1.8
156.02072	1.8
156.07108	3.8
157.03519	3.3
157.07149	3.2
158.03719	2.0
158.99747	2.2
159.03146	1.7
159.07610	5.2
161.01309	2.7
161.02972	12.0
161.04402	1.7
161.07138	10.7
162.03111	15.9
162.07471	18.7
163.02724	1.2
163.03918	26.9
163.06049	2.2
163.08029	2.5
165.07678	3.2
169.03395	1.9
169.12271	3.5
171.05109	3.6
173.01471	2.3
173.03018	4.8
173.06664	3.1
174.03107	4.3
174.08105	2.2
174.69357	1.5
177.00795	2.6
179.05524	2.1
183.08649	6.9
184.07397	3.7
185.02942	3.5
185.06590	1.9
186.08131	11.0
186.58395	2.2
187.04405	3.3
187.08168	1.8
187.54703	1.9
195.08681	47.2
195.58806	6.8
197.02985	2.1
197.10258	5.8
199.08238	2.0
201.00703	1.6
201.09682	13.9
202.05952	8.8
202.56325	11.6
203.03976	4.8
203.05998	5.4
203.07753	2.4
204.04222	5.3
204.09215	46.2
204.59360	5.8
209.10228	7.2
212.12883	2.5
212.58263	2.4
213.09723	18.3
215.11296	30.9
215.59990	3.3
216.11526	2.5
217.07567	2.8
221.03246	2.0
223.06596	3.5
224.06958	2.4
227.11299	31.6
228.11444	2.7
230.13919	11.4
233.12372	5.4
237.02863	2.8
239.04292	1.8
239.11415	2.3
245.05006	3.6
245.12372	20.8
246.12570	2.5
251.11322	3.9
252.04742	2.5
258.13446	10.4
263.13455	28.2
264.13525	1.7
269.12427	5.0
273.05966	1.9
275.06271	2.9
275.64053	1.6
276.06320	3.5
276.14423	26.4
279.00250	1.7
279.11377	1.6
281.12308	1.6
294.07272	7.7
294.11218	4.7
294.15576	2.8
305.14478	84.9
306.14731	8.7
317.14502	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	294.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.5
56.60820	0.4
56.96571	34.1
67.05478	0.5
69.07021	0.6
71.47306	0.7
71.95272	5.6
72.96056	3.3
74.74430	0.5
74.97581	0.7
79.05480	0.8
81.07067	2.3
82.07365	0.8
84.96001	1.4
87.24194	0.5
91.05465	0.5
92.05798	0.5
94.07389	0.6
95.04951	0.5
97.02834	0.7
97.96799	1.1
105.00157	1.4
105.07066	0.6
106.07354	0.7
107.08533	0.5
109.06478	0.8
110.97552	1.8
115.00703	0.5
119.01714	0.9
119.08537	0.5
119.46928	0.4
121.02845	1.1
123.01168	1.3
128.98563	1.2
129.16898	0.5
131.04866	0.5
137.02696	2.1
151.04248	1.2
155.03662	0.6
163.03929	0.8
169.05396	0.8
169.18109	0.4
179.07430	1.2
180.06546	1.4
199.06560	0.6
212.07072	0.5
223.10062	5.4
235.10051	7.1
241.11133	46.5
242.11656	0.5
251.09612	0.5
252.08722	2.3
253.11139	86.1
254.11505	0.5
259.12207	36.4
264.12811	3.1
271.12186	100.0
272.12463	0.8
276.12723	2.3
276.20441	3.8
282.13660	1.4
289.13254	3.0
294.13763	11.2
294.21426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46298	1.0
55.01878	2.2
55.05510	7.2
56.96565	7.7
57.03432	5.0
60.04526	3.6
61.02917	4.0
61.96375	1.0
63.08133	1.0
65.03960	1.5
67.05499	1.8
69.03430	14.1
69.07088	1.1
69.48637	8.6
70.03794	1.1
70.06595	3.2
71.04995	1.4
72.04513	10.5
72.08157	16.5
73.02921	8.1
73.06553	5.7
78.39750	1.0
79.05510	1.8
81.03430	3.8
83.05002	1.7
84.04502	4.0
84.08149	21.7
84.20109	1.1
85.02421	1.9
85.02911	24.8
85.06538	1.8
86.09719	6.1
87.00121	1.1
87.04467	3.9
88.03985	2.4
90.09196	13.5
91.05464	2.2
97.02906	13.0
97.06523	1.4
98.97589	20.6
99.04466	3.3
101.00829	2.0
102.96910	1.2
109.02879	2.5
110.97570	2.3
111.02042	1.6
112.03905	1.2
112.07573	1.6
112.99129	1.3
113.39896	1.2
114.09171	52.9
115.03956	3.5
116.98614	6.7
117.05508	1.2
119.01855	4.6
119.04991	1.9
120.01948	2.0
120.08130	7.7
123.04424	1.1
124.99164	2.6
127.03931	5.2
128.02380	1.7
128.98624	1.8
129.03104	3.0
129.10266	3.4
130.05025	3.5
130.08627	3.3
131.01883	1.2
131.04945	1.2
131.96158	3.1
132.10211	100.0
132.13863	2.1
135.04407	1.6
136.07558	1.2
137.05968	4.3
141.95595	1.6
143.00142	3.5
143.01920	1.8
144.02028	1.5
145.04959	2.6
147.03127	3.3
147.04375	2.5
147.07578	2.9
149.01189	1.7
154.03938	1.7
155.04657	4.4
156.02066	1.3
156.03564	1.4
158.99670	5.6
161.01312	1.3
161.02956	2.2
161.04752	1.1
161.07140	1.7
162.03085	2.2
162.07445	2.1
163.02686	1.5
163.03957	4.8
164.07098	2.5
165.10201	1.4
168.05432	5.5
168.55711	2.1
171.54311	1.5
171.64441	1.2
173.97218	3.6
174.97043	1.3
177.00716	4.2
177.04276	1.5
177.05937	5.7
179.02011	1.2
191.02252	2.0
201.00571	1.2
202.05951	11.6
202.56158	18.7
203.06068	7.6
204.04669	1.1
204.07613	1.5
208.04915	1.3
219.01785	3.9
222.05876	3.2
223.06700	1.2
224.06906	2.6
227.06819	3.7
230.13831	3.0
237.02892	2.9
247.02715	1.3
248.57710	1.8
250.05328	4.3
253.03773	1.7
258.13397	3.3
269.71854	1.3
271.04962	1.7
276.14371	7.2
294.04239	2.6
294.11212	8.8
294.15414	2.5
294.18781	5.1
301.92041	1.5
309.08517	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.05494	1.0
56.96568	0.4
57.07048	0.4
65.03945	0.2
66.23849	0.2
66.63325	0.3
67.05499	1.4
68.05840	0.3
69.07064	0.7
70.07382	0.3
71.08652	0.2
71.56470	0.3
71.56866	0.4
79.05511	1.5
81.03410	0.3
81.07064	3.2
82.07389	0.6
83.08601	0.7
91.05479	1.2
92.05811	0.4
93.07038	1.2
94.04189	1.6
95.04946	0.5
95.08592	0.8
96.05309	0.3
96.08958	0.3
97.06556	0.5
97.10181	0.3
105.07025	0.9
106.07362	0.5
107.04950	0.5
107.08598	1.2
108.08951	0.9
109.06494	0.5
109.10190	0.3
119.08590	0.8
120.08929	0.6
121.06507	0.5
122.03647	5.4
122.04469	0.4
122.10487	0.5
123.11718	1.5
133.10121	0.7
134.10492	0.7
136.08430	0.2
137.05983	100.0
141.12767	0.4
146.10435	0.5
147.11649	0.6
148.12042	0.4
152.11517	0.3
158.15401	1.4
160.12170	0.3
170.15385	2.5
174.13794	0.3
176.03072	0.3
178.67061	0.2
193.05038	0.2
219.01556	0.2
258.19244	0.4
260.50195	0.3
276.20444	2.7
277.21524	0.4
281.63431	0.3
294.21420	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01868	0.4
55.05497	0.3
57.07075	0.4
59.04960	0.2
59.07915	0.2
65.41152	0.2
66.04720	0.2
67.05501	0.9
69.07059	0.5
70.82773	0.5
71.08637	0.3
71.38134	0.2
79.05500	1.1
81.07062	2.1
87.35854	0.2
91.05477	0.7
94.04192	1.5
95.08607	0.2
97.10175	0.3
102.98178	0.2
104.87314	0.2
105.07057	0.3
106.07339	0.3
107.04982	0.3
107.08612	0.5
108.08961	0.3
109.06548	0.4
114.09130	0.2
122.03654	5.8
123.11722	2.0
134.10449	0.2
137.05983	100.0
139.11174	0.3
158.15381	1.4
170.15414	1.9
200.77547	0.2
221.92953	0.2
224.24011	0.2
243.71286	0.2
276.20419	1.1
294.13483	0.4
294.20920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0813
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
53.03949	0.3
55.01851	0.3
56.96558	0.2
57.03437	0.2
61.69901	0.2
64.68478	0.2
67.05495	0.2
69.03436	3.8
69.07040	0.2
69.35458	1.7
70.06589	0.6
71.05004	0.3
72.08140	0.3
73.02929	0.3
79.05490	1.7
81.03416	0.3
83.04968	0.3
85.02909	1.5
89.03921	3.7
91.05490	0.7
93.07032	0.8
95.04961	0.7
95.06158	0.2
97.02898	10.4
98.76394	0.2
98.97576	0.9
103.05502	0.2
107.04964	2.0
107.08611	0.2
109.02859	0.9
111.04434	0.5
114.10279	0.3
115.03918	1.3
116.98615	0.3
117.03390	5.9
120.08141	0.3
121.06519	0.5
121.10129	0.7
123.04424	0.8
124.07578	0.2
124.99130	0.2
129.07022	0.3
131.04930	0.2
133.02805	0.3
133.05006	0.2
135.04424	14.7
137.05946	1.5
143.00137	0.4
145.02855	12.1
149.05943	0.2
151.03908	0.8
153.05501	0.6
154.71678	0.2
158.99727	0.4
163.03911	100.0
164.04219	0.5
165.05560	0.4
167.10698	0.4
171.06566	0.8
177.00681	0.3
181.04968	2.5
202.91489	0.2
213.05580	0.3
241.05125	0.2
249.02754	0.5
259.06070	1.8
267.03903	0.3
277.06998	2.7
295.08173	4.6
295.11298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0814
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
51.02391	0.4
52.49029	0.4
53.03937	0.6
55.01869	0.7
55.05516	1.6
55.47258	0.4
56.96562	0.7
57.03475	0.4
57.07075	0.8
59.48132	0.4
65.03951	0.4
67.05504	1.7
68.63710	0.4
69.03439	1.7
69.07070	2.1
69.52669	1.8
69.53088	1.2
70.99677	0.4
71.08599	0.6
79.05496	2.4
81.07069	3.5
83.08620	1.4
85.02905	0.6
88.55618	0.4
89.03922	6.7
91.05474	1.2
93.07047	2.4
95.04993	0.5
95.08600	2.1
97.02898	81.7
97.10162	1.0
98.97584	0.9
99.08125	0.6
105.07000	0.9
107.04944	2.7
107.08595	1.5
109.10173	1.8
117.03384	10.0
117.78825	0.4
119.08585	1.2
121.02839	0.4
121.10152	1.3
123.11758	0.8
129.06920	0.9
131.08580	0.5
133.10168	0.6
135.04420	19.0
135.11697	1.1
137.05978	0.6
139.07556	1.2
145.02849	11.9
145.10147	0.5
147.11713	0.6
159.11728	0.6
163.03915	100.0
169.28148	0.5
171.11807	0.5
175.03896	0.5
175.07574	1.7
176.61690	0.4
185.06052	1.0
185.66273	0.5
186.05522	0.6
192.23903	0.4
203.06995	0.7
213.05460	1.0
217.08846	0.4
231.06534	2.4
233.15643	0.5
259.06067	0.5
277.07007	1.6
277.21613	2.1
295.08072	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07370	0.3
53.03936	0.5
57.03429	0.7
67.05503	0.3
69.03435	5.0
70.33231	0.3
70.86404	0.2
73.02908	0.3
73.31326	0.4
77.03920	0.3
79.05486	0.9
81.03426	0.7
81.07058	0.8
85.02908	2.3
87.04450	0.9
88.05817	0.3
89.03918	3.4
89.45452	0.3
91.05476	0.6
91.24510	0.3
93.07031	0.8
95.04966	0.4
95.08556	0.3
95.98087	0.3
97.02898	9.2
98.20776	0.6
98.97585	0.3
103.05470	0.6
105.07047	0.4
107.04959	1.8
109.02882	0.5
115.03943	1.8
117.03381	5.9
121.06523	0.3
121.10127	0.5
123.04427	0.7
131.04947	0.7
133.04961	1.0
133.06487	0.9
135.04424	13.9
137.05991	0.8
145.02856	12.0
145.04010	0.6
145.04973	0.6
145.06490	0.4
151.03908	1.1
161.05864	0.4
163.03908	100.0
167.07047	0.5
175.07677	0.5
181.05020	2.1
234.06691	0.3
235.07478	0.4
251.06972	0.3
253.08939	0.4
259.05942	2.0
277.06985	3.1
280.07089	0.4
295.08292	5.8
295.16064	0.7
295.18997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
64.84533	0.2
67.05505	0.3
69.03077	0.3
69.03436	4.5
71.58704	0.3
78.14671	0.2
79.05491	0.9
81.03409	0.3
81.07074	0.3
85.02915	1.3
87.04462	0.3
88.68203	0.2
89.03922	3.3
90.98449	0.2
91.05478	0.6
94.57622	0.2
97.02898	7.8
99.04495	0.3
103.05479	0.9
105.07046	0.5
107.04958	1.8
109.02924	0.4
115.03941	1.4
117.03387	6.1
121.06519	0.5
123.04441	0.7
123.08052	0.2
131.04973	1.0
133.04980	0.5
133.06535	1.1
135.04428	13.2
135.08069	0.7
137.05980	0.5
145.02856	12.2
145.06493	0.6
151.03947	0.6
151.07559	0.3
163.03915	100.0
163.07501	2.5
164.04236	0.5
175.07565	0.4
176.06075	0.3
181.04948	1.6
253.09207	0.3
259.06024	1.9
263.07159	0.2
263.10492	0.3
264.07816	0.2
277.07050	3.3
280.07138	0.3
295.07996	4.6
295.13281	0.7
295.16278	0.5
311.28897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0814
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
55.01864	0.8
60.83957	0.4
67.05495	0.7
69.03433	3.2
69.07108	0.4
69.92850	0.9
69.93246	0.8
73.02900	0.4
73.46249	0.4
79.05492	1.5
81.03430	0.8
81.07041	1.2
85.02905	1.5
89.03913	4.7
91.05485	3.5
93.07062	0.5
95.08612	0.7
97.02899	43.5
97.78730	0.4
98.21383	0.6
98.97568	0.7
103.05460	1.6
105.07020	1.4
107.04955	2.6
109.02886	0.6
113.76880	0.4
115.03922	1.3
117.03387	7.9
121.02887	0.5
121.06476	1.0
123.04427	0.6
123.11690	0.6
131.04944	1.3
133.04991	0.6
133.06525	2.3
135.04422	14.7
135.08017	1.3
137.05962	0.6
145.02841	11.8
145.03970	0.8
145.06506	1.3
147.04434	0.7
151.03915	2.1
151.07542	1.1
157.06523	0.5
163.03914	100.0
163.07530	4.0
168.44516	0.5
175.07565	1.2
181.04970	1.7
185.06006	0.8
219.59821	0.4
231.06586	1.3
235.07497	0.7
259.05981	1.4
259.20648	0.5
263.10764	0.5
277.06992	2.5
295.08026	4.2
295.13269	1.7
298.59546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0814
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
53.03946	0.5
55.05510	0.7
57.03432	0.6
62.72237	0.5
63.02412	0.7
67.05512	1.7
69.03433	3.9
69.07071	1.0
71.01735	0.9
73.02911	0.4
77.03922	0.5
79.05493	2.7
81.03437	0.6
81.07066	1.8
83.05011	0.6
85.02911	0.9
89.03912	5.6
91.05491	1.2
93.07053	3.7
94.90332	0.5
95.04989	0.7
95.08608	1.4
97.02892	64.7
105.07076	0.9
107.04964	2.3
107.08568	1.0
109.02870	0.7
109.10117	0.5
111.04441	1.0
115.03950	1.2
115.05451	0.6
117.03394	8.7
119.08595	0.5
121.02865	0.5
121.06541	1.0
121.10143	3.0
123.04417	0.6
123.11714	0.7
131.04936	1.1
131.08595	0.7
133.05013	0.5
135.03391	1.1
135.04413	17.5
145.02872	12.3
149.09660	0.8
151.03928	7.0
163.03906	100.0
175.07530	1.2
180.06555	0.6
181.04897	0.8
185.05971	1.5
203.06952	0.6
207.08099	1.0
213.05437	0.9
231.06509	1.2
235.07593	1.2
259.06113	1.2
259.61029	0.5
277.07193	1.9
277.21707	0.7
295.08005	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01874	3.0
55.05513	2.3
56.96569	1.9
57.03440	24.0
59.04992	3.5
60.38947	0.7
60.95866	0.8
61.02934	4.2
62.79457	0.8
63.74269	0.8
67.05510	2.7
69.03433	100.0
69.07061	1.2
70.06592	1.5
70.98130	2.2
71.01366	2.5
71.05010	3.7
71.58786	1.0
72.08144	1.1
73.02923	7.9
75.04472	1.8
79.05527	2.4
81.03422	17.1
81.07059	0.8
83.01366	1.2
83.04984	3.1
84.08131	1.0
84.66130	0.8
85.02909	64.4
85.06530	4.4
87.04475	47.5
90.98547	0.7
91.03956	1.0
91.05503	1.9
93.07070	1.3
95.04974	3.5
95.08607	1.3
97.02899	68.4
97.06549	1.9
97.07644	0.9
99.04456	12.0
101.02372	1.9
102.96912	3.9
103.03949	8.5
105.07050	0.9
107.04995	2.3
109.02908	6.1
110.06076	1.2
111.04465	5.0
113.02396	1.2
114.10305	0.9
115.03938	61.4
117.03407	1.0
117.05534	1.8
119.04948	1.5
120.97910	1.9
121.06546	1.0
122.06034	0.9
123.04434	5.2
123.08066	1.2
124.07614	3.2
125.02367	0.9
126.09197	3.9
127.03916	11.9
131.05005	1.1
133.04973	66.8
135.04445	6.6
136.07631	2.9
137.05977	1.8
138.09154	14.1
138.99010	0.8
139.03964	2.3
140.07065	3.7
145.02924	2.1
145.04968	22.8
147.04474	1.0
150.07767	5.8
151.03908	8.8
152.07108	3.2
153.05536	1.7
157.05104	0.9
161.04521	3.4
163.03920	29.0
163.06018	1.5
164.07159	1.1
165.05516	1.8
169.04982	7.4
175.07645	1.1
177.05528	0.9
181.04968	1.9
187.06090	2.6
193.05052	1.6
193.08675	1.2
199.06099	2.1
203.02444	1.8
205.03975	1.3
205.07079	1.1
211.06117	1.3
223.06053	2.1
229.07181	2.4
241.07085	5.9
259.05948	0.9
259.08160	4.2
259.14386	6.4
264.55045	0.8
277.09274	7.6
277.15573	2.2
280.60742	1.0
292.90619	0.9
295.08179	2.7
295.10727	1.3
295.16153	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03943	2.4
55.01874	3.0
55.05513	2.3
56.96569	1.9
57.03440	24.0
59.04992	3.5
60.38947	0.7
60.95866	0.8
61.02934	4.2
62.79457	0.8
63.74269	0.8
67.05510	2.7
69.03433	100.0
69.07061	1.2
70.06592	1.5
70.98130	2.2
71.01366	2.5
71.05010	3.7
71.58786	1.0
72.08144	1.1
73.02923	7.9
75.04472	1.8
79.05527	2.4
81.03422	17.1
81.07059	0.8
83.01366	1.2
83.04984	3.1
84.08131	1.0
84.66130	0.8
85.02909	64.4
85.06530	4.4
87.04475	47.5
90.98547	0.7
91.03956	1.0
91.05503	1.9
93.07070	1.3
95.04974	3.5
95.08607	1.3
97.02899	68.4
97.06549	1.9
97.07644	0.9
99.04456	12.0
101.02372	1.9
102.96912	3.9
103.03949	8.5
105.07050	0.9
107.04995	2.3
109.02908	6.1
110.06076	1.2
111.04465	5.0
113.02396	1.2
114.10305	0.9
115.03938	61.4
117.03407	1.0
117.05534	1.8
119.04948	1.5
120.97910	1.9
121.06546	1.0
122.06034	0.9
123.04434	5.2
123.08066	1.2
124.07614	3.2
125.02367	0.9
126.09197	3.9
127.03916	11.9
131.05005	1.1
133.04973	66.8
135.04445	6.6
136.07631	2.9
137.05977	1.8
138.09154	14.1
138.99010	0.8
139.03964	2.3
140.07065	3.7
145.02924	2.1
145.04968	22.8
147.04474	1.0
150.07767	5.8
151.03908	8.8
152.07108	3.2
153.05536	1.7
157.05104	0.9
161.04521	3.4
163.03920	29.0
163.06018	1.5
164.07159	1.1
165.05516	1.8
169.04982	7.4
175.07645	1.1
177.05528	0.9
181.04968	1.9
187.06090	2.6
193.05052	1.6
193.08675	1.2
199.06099	2.1
203.02444	1.8
205.03975	1.3
205.07079	1.1
211.06117	1.3
223.06053	2.1
229.07181	2.4
241.07085	5.9
259.05948	0.9
259.08160	4.2
259.14386	6.4
264.55045	0.8
277.09274	7.6
277.15573	2.2
280.60742	1.0
292.90619	0.9
295.08179	2.7
295.10727	1.3
295.16153	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.81555	2.2
57.03444	43.6
59.04987	3.4
60.40594	2.1
61.02938	13.6
64.47758	1.9
67.01781	2.0
67.02264	2.0
69.03437	46.1
70.62178	5.3
71.01358	10.6
73.02924	100.0
74.33888	1.7
85.02909	61.8
87.04463	4.0
89.28786	2.1
90.43727	1.9
91.03942	2.6
93.07026	3.4
97.02898	57.9
99.04452	3.0
105.77813	1.9
109.02880	4.5
115.03165	3.7
115.03934	58.9
127.03933	13.9
133.04985	21.7
145.02858	2.3
145.04955	13.7
163.03934	13.2
163.05991	4.6
195.44165	2.3
227.24112	2.3
259.59183	2.1
295.15683	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	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.05505	1.2
57.03439	25.9
61.02928	6.7
69.03430	30.1
70.94732	1.2
70.95042	1.3
71.01360	4.8
73.02917	55.2
81.03412	3.1
81.07056	0.9
85.02905	32.3
87.04478	3.2
89.03915	3.2
91.05479	2.4
97.02892	45.2
98.97586	18.4
99.04478	1.0
103.30872	1.0
105.03401	1.0
107.04967	2.3
109.02863	2.0
115.03933	39.2
116.98634	5.2
117.03377	5.8
119.04997	1.1
121.06489	2.4
123.04480	1.3
125.23430	1.0
127.03895	6.1
133.01863	1.2
133.02855	19.8
133.04973	11.2
134.03195	1.7
135.04425	13.4
137.05974	3.8
145.02856	12.2
145.04927	6.7
149.05974	1.1
151.03943	4.7
158.99643	9.0
163.03908	100.0
163.06097	2.9
165.05487	4.1
165.06760	0.9
177.00758	5.5
181.05013	1.8
214.08562	1.2
223.09216	1.0
235.07388	1.2
241.07065	1.9
259.05917	1.6
277.07050	2.5
292.63507	1.0
295.05603	2.2
295.08353	4.0
295.22983	0.9
310.39951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01848	1.8
56.96602	1.2
57.03440	48.5
59.04987	1.4
61.02933	13.9
64.81926	1.2
67.05488	1.6
69.03434	48.8
71.01353	8.4
71.05013	2.7
72.04500	2.0
73.02924	100.0
79.05497	2.1
81.03419	3.5
81.07073	1.4
84.08147	2.6
85.02908	67.8
87.04462	5.3
89.03925	1.6
91.03997	2.3
91.05487	2.9
93.07067	2.1
97.02901	67.9
98.21073	1.5
99.04482	1.5
103.03970	1.8
103.05550	2.9
105.07031	2.6
109.02908	3.4
115.03940	69.8
121.06503	6.8
127.03933	13.1
131.04936	3.2
133.04982	16.0
133.06526	3.9
135.04422	3.1
135.08064	2.5
137.05971	2.7
145.02838	1.6
145.04984	14.6
145.06252	1.8
146.06122	1.3
147.04427	1.6
147.08067	1.5
151.03880	1.6
151.07559	2.6
163.03909	23.0
163.06015	3.2
163.07561	7.3
165.05505	4.6
177.09138	2.6
180.06598	1.9
193.04878	2.2
205.08669	6.4
221.05962	1.4
223.05960	2.1
235.11176	1.4
241.07054	2.5
263.57608	1.2
265.10742	8.6
295.09763	2.5
295.12955	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	295.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
57.03442	48.7
59.39202	1.8
61.02926	13.0
69.03435	51.4
71.01360	8.4
71.57359	2.0
73.02921	100.0
81.03419	2.7
84.21090	1.5
85.02911	62.4
87.04464	7.1
96.55120	1.7
97.02902	59.6
99.04455	2.7
109.02902	4.0
115.03941	67.1
115.04749	3.3
127.03920	16.3
133.04973	19.7
133.10196	2.0
135.04362	3.4
145.02815	2.4
145.04964	15.4
163.03915	19.9
163.06017	4.2
168.17285	1.8
187.64368	1.8
214.78133	1.7
241.07120	3.9
259.08163	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03933	1.8
54.51195	1.6
56.96578	1.6
57.03439	52.9
59.05006	3.5
61.02701	1.5
61.02933	14.5
69.03429	57.9
70.06561	2.2
70.13319	3.5
70.13707	2.7
71.01353	7.8
71.04979	1.9
71.70470	1.5
72.08153	1.5
72.84717	1.7
73.02920	100.0
73.76399	1.5
80.67065	1.3
81.03408	6.2
84.04487	2.0
84.08148	2.6
85.02908	62.6
86.09723	2.6
87.04450	7.0
90.69608	1.9
91.05489	3.3
95.08624	2.5
97.02894	66.0
97.03526	3.2
98.97591	2.6
99.04440	2.1
103.03924	1.9
103.05485	2.0
104.10532	1.4
107.04967	2.1
109.02899	2.8
115.03931	64.6
117.03356	1.6
117.07008	2.8
119.04997	1.7
120.08110	6.5
121.06461	2.5
123.04423	1.4
127.03931	15.0
127.50591	1.4
131.04953	3.1
133.04953	22.1
135.04411	3.3
136.07573	6.0
137.05960	8.0
139.11906	1.4
143.00212	1.8
143.04919	2.2
145.02829	2.3
145.04970	15.8
145.06453	4.2
147.04401	2.6
150.07758	33.8
151.03957	5.1
151.07507	2.4
161.05936	3.7
162.06842	1.6
163.03925	18.9
163.06055	4.5
166.08635	3.2
175.07552	5.0
177.09166	1.6
189.05557	2.3
189.09137	2.2
192.64627	1.8
193.08611	2.3
201.09175	2.3
205.08623	4.8
217.08690	2.0
221.08084	1.8
223.05951	3.9
229.08633	2.4
231.10100	1.7
241.06964	3.0
247.09705	2.8
249.02872	1.7
277.11105	2.0
295.05792	2.3
295.09219	2.8
295.12741	2.4
295.16910	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	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01849	1.2
55.05510	2.2
57.03445	13.2
57.07092	1.2
59.04994	1.0
61.02923	2.1
67.05496	2.6
69.03431	23.4
69.07057	4.0
71.01351	2.1
71.04980	0.9
71.08597	1.3
71.25085	1.3
73.02925	15.3
79.05496	1.6
79.24102	0.9
81.03422	4.6
81.07054	4.1
83.04984	1.0
83.08633	1.7
85.02911	21.0
87.04468	5.6
89.03906	5.1
93.07056	2.1
95.04973	1.4
95.08598	3.2
97.02901	77.1
97.10175	1.6
98.97595	2.1
99.04448	2.8
103.03934	1.6
105.07030	1.7
107.04948	2.7
107.08614	2.0
109.02884	2.3
109.10165	1.7
111.04437	1.8
111.11724	1.5
115.03938	19.3
117.03393	8.9
119.08563	2.0
121.06468	1.3
123.04420	1.2
123.11709	1.7
127.03896	5.2
133.04962	12.0
135.04424	18.4
135.08075	1.0
145.02872	11.7
145.05013	8.4
149.02374	1.7
149.52859	1.1
151.03915	1.7
163.03922	100.0
169.04935	1.9
173.13258	1.3
175.07576	1.2
181.04961	1.5
188.02444	1.0
196.97450	0.9
231.06566	1.6
241.07166	1.8
253.08856	2.2
259.05966	1.2
259.08307	1.3
277.06857	1.5
277.09399	1.4
295.08389	1.9
295.13065	1.1
295.24283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.38464	1.9
53.03946	2.7
55.01869	3.3
55.05506	4.6
57.03438	51.7
59.04969	2.5
61.02928	16.8
67.05518	9.5
69.03431	55.5
69.07069	5.9
69.32171	14.7
69.32579	4.7
71.01340	11.1
71.05016	2.2
73.02919	100.0
77.55626	2.1
78.99854	1.8
79.05505	3.4
81.03418	6.9
81.07047	10.3
85.02910	66.8
87.04475	6.3
93.07047	6.2
95.04934	2.0
95.08608	7.9
97.02894	66.3
97.06529	2.8
99.04444	3.5
103.03876	1.9
104.61790	2.2
105.07043	2.6
107.08611	6.1
109.02888	4.0
109.10159	3.1
115.03157	4.2
115.03933	65.8
119.08600	2.4
121.10133	4.5
127.03918	15.8
133.04964	17.4
133.10170	2.5
135.11752	2.9
145.04955	19.2
163.03915	8.1
163.06023	6.5
165.51886	1.9
223.05939	2.7
241.07013	4.6
259.08188	2.9
259.20639	2.5
262.47476	2.0
277.18320	2.9
277.21692	7.0
295.22717	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01866	0.4
55.05517	0.3
56.05037	0.4
56.96574	0.5
57.03445	1.6
57.04550	0.6
61.02922	0.6
66.13388	0.3
67.05498	0.5
69.03082	0.3
69.03438	4.8
69.07059	0.7
70.06590	0.9
70.61454	0.5
70.61801	0.3
71.01373	0.3
71.04987	0.5
72.08157	0.7
73.02919	1.9
75.29918	0.2
79.05487	0.6
80.57313	0.2
80.81097	0.2
81.03426	1.2
81.07070	0.5
83.04988	0.4
84.04527	0.5
84.08138	0.9
85.02911	7.0
85.06550	1.1
86.09699	0.9
87.04475	2.2
87.08115	0.6
89.03915	0.5
91.03982	0.4
91.05500	1.3
93.07043	0.6
94.04063	2.2
95.04974	0.6
95.08598	0.4
97.02897	4.7
98.97583	0.7
99.04468	0.6
103.03957	0.4
105.07018	0.5
107.04948	0.8
109.02890	0.9
109.10134	0.4
111.04428	0.7
115.03952	2.2
115.05464	0.3
116.98624	0.2
117.03359	0.6
117.05623	0.3
117.07002	0.5
119.04948	0.8
119.08591	0.7
120.08111	0.8
121.06470	0.4
121.10110	0.4
123.04449	0.3
123.06681	1.2
127.03922	1.1
128.06230	0.3
129.07001	0.6
129.10315	0.4
131.04929	1.2
131.08661	0.3
132.95850	0.3
133.05008	2.1
133.06517	0.5
135.04456	1.4
136.07608	2.1
137.05997	1.4
139.03969	0.3
143.00177	0.4
143.04999	0.3
145.02856	1.1
145.04974	2.2
145.06490	0.9
147.04457	0.8
147.08075	0.5
148.04759	0.9
148.06073	0.3
150.07765	100.0
151.03923	1.5
151.07545	0.4
157.06474	0.5
161.01204	0.3
161.04788	0.3
161.05922	1.3
163.03917	8.4
163.07576	0.6
165.05470	0.3
169.06517	0.4
171.08015	0.3
173.05989	0.5
174.06735	0.4
174.96902	0.4
175.03886	0.4
175.07590	2.2
177.05548	0.5
177.09163	0.4
178.08672	0.5
181.04984	0.5
181.06485	0.4
185.06021	0.3
187.07529	0.6
189.05516	0.3
189.09145	0.4
190.06215	0.5
191.07005	0.3
201.05637	0.3
201.09073	0.5
203.05286	0.3
203.07101	0.9
205.08647	1.1
213.09158	0.4
217.08667	0.5
221.06125	0.3
221.08156	0.6
229.08607	0.9
231.06540	0.5
231.10081	0.4
235.09813	0.4
247.09575	0.3
249.02861	0.4
259.06033	0.3
259.09714	0.5
259.15930	0.2
277.10715	0.7
295.05511	0.5
295.08316	1.3
295.11588	4.7
295.16656	0.8
296.15030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01867	2.8
55.05516	3.2
56.05043	3.2
57.03443	3.4
61.02934	3.7
65.03918	0.8
67.05509	3.9
69.03437	10.5
70.80090	1.6
70.80447	0.9
71.01353	1.8
71.04986	2.6
73.02922	3.7
74.06091	4.2
77.34451	0.7
79.05501	4.6
81.03426	4.5
81.07066	7.3
82.65215	0.7
83.01346	0.8
83.04978	2.9
85.02433	0.8
85.02917	11.1
87.04463	1.6
91.03959	0.8
91.05486	11.3
93.07053	18.1
94.04085	0.6
95.04970	5.8
95.08647	3.3
97.02897	7.5
97.06553	1.4
98.21303	0.8
98.97607	1.1
99.04472	2.5
102.05564	0.7
103.03945	2.4
105.07039	26.3
107.04940	2.1
107.08601	7.4
108.23487	0.7
109.02888	2.2
109.06506	3.2
109.10141	1.7
111.04451	1.4
113.24026	0.6
115.03934	2.1
115.05436	1.2
116.07061	4.7
117.07019	4.9
119.03561	6.0
119.04945	1.4
119.07777	1.1
119.08584	9.6
121.06516	4.7
121.10143	4.4
123.04470	1.1
123.08083	5.2
123.11706	1.0
125.05956	0.9
125.57360	0.7
126.49614	0.6
127.03924	3.4
128.06189	1.5
129.07021	3.6
130.07785	1.9
131.08574	10.2
133.05002	0.7
133.06505	1.0
133.10143	28.9
134.08142	24.0
135.08061	2.2
135.11710	2.6
136.06195	100.0
137.04585	1.9
137.05849	0.9
141.06938	0.9
142.07770	2.8
143.08597	4.6
145.04980	2.3
145.06485	1.4
145.10133	9.5
147.04381	1.5
147.08049	2.9
147.11705	4.7
148.04733	1.2
149.05969	0.8
149.09618	2.5
150.07797	1.0
151.03925	10.1
151.07753	0.8
151.11205	7.2
154.07782	1.0
155.08595	1.3
156.09364	1.1
157.10143	7.2
159.08084	2.3
159.11688	4.0
160.03854	0.8
161.09619	4.8
161.10706	0.8
162.04124	42.9
163.03960	1.5
163.11221	7.1
165.05504	1.2
165.06897	0.8
166.01059	0.6
167.08453	0.8
169.10115	1.4
171.08064	1.4
171.11723	1.7
173.09634	3.1
175.11182	6.4
177.09113	0.9
179.08667	0.7
180.16039	0.8
184.09044	0.8
185.09660	1.5
187.11195	4.2
189.12802	1.8
191.10721	1.5
197.09703	0.9
197.47133	0.7
199.11176	1.9
203.14406	1.1
205.12267	2.6
213.12764	2.2
217.12233	3.1
223.11275	0.8
229.12274	1.3
231.11382	1.4
231.13806	2.3
235.13350	1.0
241.12207	1.6
247.13310	1.6
249.14819	1.6
259.13385	3.0
277.14432	7.2
295.08237	3.9
295.11588	7.4
295.15466	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05502	2.5
57.06857	0.7
57.07085	6.6
58.99585	2.1
59.60426	0.7
61.01157	0.7
67.05502	2.8
69.07076	12.9
69.45191	1.5
69.45596	3.9
71.08634	3.9
71.27289	0.7
79.05500	16.0
81.07065	1.6
84.27738	0.7
87.02700	3.3
91.05486	7.9
93.07050	1.7
95.04980	2.9
95.08637	2.0
97.01076	1.7
98.20786	1.6
103.05473	9.6
105.07040	69.5
106.07830	7.0
107.08603	2.9
109.10201	1.5
121.06546	1.5
121.10140	1.1
133.06509	48.0
133.10179	0.8
134.07286	27.2
135.08069	100.0
137.04214	3.6
143.08884	2.8
144.40318	0.8
144.42583	0.7
149.65836	0.8
150.01270	0.9
151.07562	19.8
159.08124	1.5
161.09595	1.2
165.03717	50.9
167.05281	10.4
170.68895	0.7
173.13298	1.2
179.05286	11.6
183.04749	1.7
229.15843	0.9
277.16257	31.5
295.06049	0.9
295.17331	24.2
295.24240	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	295.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
53.79328	0.3
55.05505	1.4
57.06817	0.6
57.07080	6.7
58.99603	2.2
65.03925	0.5
67.05505	1.4
69.07072	12.1
69.85449	0.9
69.85863	0.9
70.40904	0.3
71.08642	4.6
77.03921	0.8
77.32852	0.4
78.04696	0.6
79.05498	17.7
81.04498	0.4
81.07065	0.8
83.08601	0.5
87.02705	4.3
91.05486	10.0
93.07056	1.5
95.04978	2.1
95.08598	0.8
96.98619	0.4
97.01152	1.9
98.20708	0.4
101.04280	0.5
103.05472	10.7
104.06262	0.9
105.07038	76.4
106.07829	9.2
107.08622	3.3
109.06506	0.6
109.10179	1.1
110.07175	0.7
115.05414	0.5
117.07020	0.4
119.04922	0.4
121.06522	1.2
121.10134	0.4
125.37684	0.4
133.06503	47.9
134.07285	29.5
135.08063	100.0
136.08398	0.6
137.04221	4.7
141.07361	0.6
143.08914	4.0
147.08032	0.5
150.01292	0.4
151.07556	19.6
159.08058	1.1
161.09662	1.9
165.03717	48.7
167.05272	9.4
173.09605	1.0
174.09174	0.5
175.11206	0.8
179.05272	12.7
183.04762	1.3
187.08490	0.4
187.11089	0.6
188.09267	0.4
203.14313	0.8
211.42451	0.3
217.15807	0.4
229.15822	0.9
245.64813	0.4
277.16232	29.2
295.14127	2.8
295.17276	22.5
295.22333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03946	2.9
55.01875	9.0
55.05512	7.4
56.96563	4.0
57.03439	1.7
57.07062	2.4
60.98959	1.0
67.05507	19.4
67.05859	0.7
69.03438	2.3
69.07069	9.9
71.04996	5.3
71.08630	2.1
71.57769	1.1
79.05489	14.9
81.03458	1.0
81.07059	41.1
83.04989	4.8
83.08633	5.9
85.06546	2.6
91.05482	9.6
93.07044	19.4
95.04966	3.0
95.08604	15.6
97.02892	6.9
97.06536	5.0
97.10158	2.5
98.97578	5.9
99.08099	1.0
105.07026	9.1
107.04936	1.1
107.08603	9.9
109.06530	15.5
109.10161	9.7
111.04450	14.8
111.08066	2.4
116.98599	1.8
117.07036	1.9
119.08583	8.4
121.06493	4.6
121.10142	13.6
123.08100	3.1
123.11731	3.3
125.05975	4.5
125.09625	2.8
131.00166	1.1
131.08531	3.6
133.10141	6.6
135.04416	1.5
135.08063	3.1
135.11685	12.7
137.05981	100.0
137.09636	2.3
137.13280	2.0
139.11209	1.5
143.08601	2.1
145.10143	4.4
147.08025	2.2
147.11723	6.2
149.09625	3.5
149.13196	2.7
151.07568	1.9
151.11165	3.3
157.10161	3.2
158.99785	1.5
159.11710	4.2
161.09630	4.4
161.13286	3.3
163.03926	8.9
163.11197	4.0
165.09154	2.4
165.12775	1.6
173.01169	1.1
173.13269	1.5
175.11172	5.2
175.14847	2.4
177.08981	1.4
177.12740	1.3
179.14403	1.4
181.12323	1.6
183.11681	1.4
185.13316	1.7
189.12775	1.0
193.12206	1.6
203.14355	1.1
203.17958	5.1
213.16415	2.8
221.19064	2.2
231.17459	9.4
238.16754	1.1
241.19514	1.6
249.18494	10.7
259.20584	2.3
263.10458	1.1
277.17990	46.3
277.21573	16.4
295.14966	1.9
295.19080	8.3
295.22626	7.7
308.87320	1.1
310.36157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03947	4.0
55.01873	11.0
55.05516	30.0
56.96562	2.4
57.03443	3.5
57.07080	5.6
64.68320	1.6
65.03938	2.3
67.05509	100.0
69.03439	4.0
69.07078	27.6
69.89598	3.8
69.89998	2.5
71.05001	6.6
71.08633	11.8
73.06554	1.5
77.03941	1.7
79.05498	39.7
81.03410	4.4
81.07063	97.9
83.04995	9.3
83.08626	20.6
85.02898	2.6
85.06556	8.5
85.10207	3.2
87.04485	3.1
91.05491	30.1
93.07048	47.4
95.04966	8.9
95.08615	65.4
97.06528	8.4
97.10172	13.2
99.08103	10.0
101.06047	2.3
103.05470	3.3
104.10791	2.2
105.07040	36.1
106.07867	1.8
107.04961	1.7
107.08610	24.9
109.06505	7.3
109.10162	32.9
109.10923	2.0
111.08092	17.9
113.09646	3.2
115.03966	1.5
117.07039	4.3
119.08576	18.0
121.06513	4.1
121.10149	32.7
123.08092	4.3
123.11723	13.4
125.09638	8.8
129.06989	2.1
131.08583	7.5
133.06508	13.1
133.10153	17.7
134.07333	6.8
135.08067	25.8
135.11703	28.0
137.04176	1.6
137.09624	3.3
137.13268	6.6
139.11174	5.1
143.08609	3.6
145.10144	6.5
145.11133	1.6
147.08128	1.7
147.11687	11.6
149.09673	2.9
149.13275	14.6
151.07587	6.4
151.11197	10.2
151.14847	3.6
153.12811	2.6
157.10136	1.9
159.11682	7.9
161.09676	2.4
161.13327	8.8
163.11234	5.5
163.14868	2.3
165.03680	10.0
165.12688	7.1
165.16612	1.4
167.05267	2.6
167.10768	1.5
171.11755	3.0
173.11853	2.4
173.13336	2.9
175.11237	2.4
175.14841	5.2
177.12770	2.9
179.05276	3.0
179.14322	6.1
181.12300	1.8
184.07372	5.8
185.13216	2.7
189.11177	3.7
189.12791	2.9
193.12302	1.8
193.15880	1.7
195.13831	5.1
199.14896	2.1
207.13763	1.9
221.15393	2.2
231.21124	4.7
241.19470	7.2
242.09697	1.5
249.22174	7.3
259.20554	15.1
274.70520	1.5
277.16360	6.7
277.21637	67.7
295.17230	7.3
295.22726	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.95096	1.9
53.03937	6.5
55.01878	24.1
55.05517	54.6
57.03434	6.8
57.07071	7.5
59.04999	2.1
65.03947	2.4
67.05510	100.0
69.03433	5.8
69.07073	37.4
69.96808	9.1
71.04991	6.5
71.08642	27.2
79.05497	51.7
81.03423	10.7
81.07063	93.5
83.04977	18.2
83.08624	34.4
85.06550	10.3
85.10176	3.8
85.31025	2.0
87.04494	2.2
88.92486	1.8
91.05486	36.5
92.24678	1.8
93.07053	69.2
95.04984	13.0
95.08615	57.3
97.06526	13.6
97.10176	20.2
98.21046	4.2
99.08111	20.3
105.07049	26.9
107.08604	39.6
109.06522	7.9
109.10165	36.7
111.08092	28.3
111.11708	2.2
113.09639	5.4
117.07035	6.8
119.08584	27.1
121.10158	36.2
123.08073	6.2
123.11718	9.8
125.09650	19.0
129.07021	6.0
131.08586	11.9
133.10153	25.7
135.08026	5.6
135.11707	28.1
137.09560	4.9
137.13289	3.2
139.11230	12.3
143.08551	2.8
145.10146	7.8
147.11703	16.9
149.09622	6.9
149.13258	19.9
151.11174	21.7
157.10158	4.0
159.11702	11.5
161.13258	11.9
163.11200	9.2
163.14870	4.1
165.12785	14.9
167.10696	2.2
171.10312	2.6
171.11740	6.6
173.13257	5.0
175.11179	4.8
175.14836	5.6
177.12750	4.3
179.14304	9.7
189.11240	14.9
189.12704	2.7
193.12274	3.5
195.13811	4.7
203.14345	2.6
207.13855	5.4
221.15408	2.4
223.01610	1.9
231.21153	6.8
241.19487	7.1
249.22200	6.6
259.20602	19.3
277.21655	99.3
295.22699	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03946	6.5
55.01875	4.7
55.05299	2.3
55.05520	28.7
57.03433	4.4
57.07078	21.7
57.07672	2.1
62.05316	2.0
67.05167	3.7
67.05511	53.1
69.07069	28.0
70.85008	4.0
71.04995	3.3
71.08637	79.1
73.06554	2.3
75.41335	2.1
78.45260	2.0
79.05501	43.9
81.03410	12.3
81.07063	52.7
83.04989	16.2
83.08633	23.8
85.06542	4.4
85.10180	6.6
91.05482	33.5
93.07052	61.3
95.04977	12.2
95.08618	46.8
95.09207	1.7
97.06549	8.2
97.10157	8.8
99.08105	49.8
103.37216	2.5
104.10715	4.2
105.07036	37.3
106.61568	2.5
107.04971	7.3
107.08601	27.5
109.06535	2.9
109.07370	2.0
109.10177	21.4
111.08062	3.5
117.07023	11.0
119.08592	19.9
121.10162	19.0
123.08025	2.3
123.11692	4.0
125.09614	4.3
129.07014	8.1
131.08519	12.1
133.10173	14.7
135.08069	4.9
135.11732	21.5
137.09665	4.4
137.13303	2.6
138.52985	4.1
139.11172	2.8
143.08569	10.1
145.10158	8.6
147.11690	18.9
149.13281	14.8
151.11200	28.6
156.97508	8.6
157.10159	5.4
157.53752	3.5
159.11809	2.8
161.09625	3.5
161.13260	32.2
163.11226	13.1
163.14828	7.0
171.11687	9.4
173.13313	8.3
174.98540	9.2
175.11189	3.9
175.14819	5.5
177.12723	4.9
179.14307	25.8
182.99095	4.9
185.13301	9.4
189.12729	5.9
198.00020	2.4
199.14839	4.3
213.00133	35.2
214.00090	3.4
221.15369	6.6
231.01227	6.7
241.19528	13.2
259.20605	7.4
263.13831	3.1
269.02737	19.1
277.21643	100.0
295.17160	2.5
295.22641	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	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.63921	1.6
53.03932	6.3
54.26181	1.7
55.01664	1.9
55.01877	20.3
55.05511	37.6
55.29158	1.9
56.96570	4.7
57.03412	4.9
57.07069	5.6
59.04989	1.5
63.29016	1.9
67.05509	67.6
67.05872	4.0
67.85995	1.8
69.03427	4.9
69.07070	28.7
71.01665	3.7
71.04984	5.0
71.08629	27.4
79.05058	3.4
79.05497	46.6
81.03409	13.2
81.07062	53.6
83.04990	12.7
83.08624	25.8
85.06536	8.1
85.10168	7.2
91.05488	28.9
93.07048	49.6
95.04976	15.0
95.08610	39.0
97.02886	8.3
97.06543	13.9
97.10181	17.9
99.08099	26.1
103.05463	3.6
105.07032	23.8
107.04951	5.8
107.08598	32.4
109.06504	7.2
109.10149	24.3
111.08088	17.1
113.09640	8.3
117.07030	5.6
119.08576	22.9
121.06510	21.9
121.10151	24.6
123.08083	7.5
123.11703	7.3
125.09634	12.6
129.07004	4.9
131.08615	9.6
133.10141	15.8
135.08063	3.9
135.11714	16.6
137.09573	10.2
139.07526	2.5
139.11165	5.0
143.08574	6.2
145.10100	4.9
145.56236	2.0
147.11687	18.7
149.02377	2.0
149.09595	4.8
149.13228	11.0
151.11176	26.2
153.12772	1.9
156.32278	1.7
157.10124	4.0
159.11726	4.6
161.09586	1.9
161.13275	14.9
163.03906	12.3
163.11159	13.3
163.14807	5.4
165.12764	15.3
167.14264	2.4
171.11708	5.7
173.13261	5.9
175.11226	2.5
175.14816	5.8
177.12781	3.2
179.14372	11.2
185.13242	3.0
189.11267	10.5
189.12796	2.0
193.12308	2.2
193.15799	2.7
199.14832	3.2
203.14256	1.9
207.13914	2.4
217.19518	1.7
221.15300	4.3
231.21083	5.4
241.19524	10.1
249.22073	7.3
253.08946	2.4
254.11682	2.6
259.20547	13.3
260.05682	2.0
277.21640	100.0
295.13779	3.9
295.17447	3.2
295.22711	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03936	5.4
55.01860	7.6
55.05515	20.7
57.03431	4.3
57.07067	3.0
64.38042	2.5
65.03938	4.5
67.05508	87.9
68.87103	2.1
69.03425	6.4
69.07072	24.7
69.21684	27.6
71.04998	72.0
79.05501	76.2
81.07062	93.7
83.04967	7.8
83.08201	2.6
83.08622	16.1
85.02901	4.4
85.06530	9.8
91.05487	32.1
93.07051	95.0
95.04957	10.6
95.08612	59.5
97.02885	14.5
97.06535	26.6
97.10156	6.6
98.21006	13.1
99.04453	8.5
99.08092	4.2
105.07031	20.8
107.08605	63.9
109.10170	24.6
111.08077	10.6
117.07011	5.1
119.08576	17.7
121.06519	20.0
121.10151	100.0
123.08055	4.2
123.11684	9.1
125.09633	3.7
129.07016	3.7
131.08568	10.0
133.10139	13.0
135.08064	5.8
135.11694	70.7
137.09584	2.9
138.55664	2.6
143.08566	5.7
145.10114	10.7
147.11674	11.8
149.13283	19.9
151.11189	5.8
154.47650	2.3
157.10115	4.8
159.11708	8.8
161.09529	3.1
161.13240	5.4
163.03914	21.9
163.11162	5.3
163.14900	3.8
165.19418	2.7
171.11656	4.1
173.13219	6.2
175.14903	4.4
177.12682	3.9
179.14305	2.6
181.12181	5.8
185.13326	4.7
195.13878	7.3
221.15251	3.6
231.17369	2.9
241.19516	5.9
259.20547	9.2
267.66888	2.8
277.21655	86.7
295.10754	5.0
295.22693	44.3
315.29456	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.67983	1.6
55.01847	1.7
55.05506	14.3
57.03437	2.4
57.07066	2.0
65.78294	1.5
67.05164	3.1
67.05505	35.3
69.07066	11.6
69.59378	3.4
69.59790	7.8
71.04991	3.8
71.08638	39.7
74.07391	1.7
79.05055	2.7
79.05499	33.5
81.03446	4.0
81.07062	35.6
83.05002	8.6
83.08625	8.7
85.06554	3.0
91.05485	15.2
93.07047	42.8
93.90044	1.7
95.04977	5.7
95.08606	28.1
97.06538	8.0
97.07076	1.5
97.10169	2.3
98.20844	2.5
99.07500	2.2
99.08111	33.7
105.07015	9.5
107.04938	4.9
107.08610	25.7
109.06505	2.9
109.10149	7.7
111.08133	2.0
113.09609	2.6
117.07009	1.9
119.08609	11.6
121.06531	1.8
121.10146	26.4
123.11713	1.9
129.07028	2.1
131.08554	4.9
133.10146	8.9
135.11708	38.8
137.09619	3.4
141.09134	2.9
145.10187	3.0
147.11659	4.1
149.13297	12.5
151.11206	11.6
153.12761	3.6
159.11710	3.9
161.13263	9.1
163.04588	1.8
163.11223	3.8
165.09048	1.9
171.00937	1.8
171.11664	1.8
177.12753	4.2
179.14328	100.0
189.12740	3.2
195.13879	2.3
221.15375	3.8
235.16986	5.0
241.19362	2.0
259.20627	5.0
277.21634	49.4
280.89578	1.7
295.22385	1.9
301.78256	1.7
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	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03946	11.9
55.01858	4.0
55.05271	1.4
55.05516	21.8
57.03428	1.8
57.07089	6.1
60.06927	0.9
67.05508	46.8
69.03407	1.0
69.07071	31.8
71.04997	2.7
71.08625	2.5
71.59115	1.0
75.69426	0.8
79.05501	31.0
81.03422	49.1
81.07059	42.0
83.04990	13.2
83.08615	8.1
85.06543	2.1
85.10169	2.8
91.05486	16.9
93.06471	1.8
93.07050	31.5
95.04361	1.6
95.04971	32.2
95.08614	16.4
97.06522	3.6
97.10164	5.8
98.18118	0.8
99.08092	3.4
105.07040	18.9
107.04882	1.1
107.08601	22.6
109.06541	7.2
109.10166	15.1
111.08092	2.7
113.09696	1.0
117.07015	4.2
119.08593	11.8
121.06466	1.7
121.10129	9.8
123.08064	2.2
123.11713	6.6
125.09641	6.8
129.06995	2.9
131.08583	4.4
133.10143	13.2
135.08073	3.8
135.11702	7.9
137.09645	2.3
137.13245	2.7
143.08549	3.0
145.10147	2.8
147.07988	2.1
147.11679	12.0
149.09584	1.4
149.13280	5.9
151.11185	40.0
151.14784	1.3
153.09111	4.2
153.12733	1.4
157.10129	3.2
159.11693	2.6
161.09644	1.7
161.13239	10.4
163.14835	4.2
165.12737	9.1
171.10249	1.8
171.11716	5.1
173.13281	2.6
175.11179	1.5
175.14828	4.1
176.77670	1.0
177.12782	1.9
179.14314	5.7
179.25853	0.9
181.12154	1.0
183.11682	1.6
185.13220	3.4
189.11220	1.6
189.12807	3.2
193.12263	4.0
194.78073	0.8
199.14833	2.1
207.13823	4.6
217.19637	2.7
219.52229	0.9
221.15421	1.4
225.16321	1.5
231.17477	1.2
231.21111	11.8
241.19412	6.6
249.22263	4.9
259.20572	8.6
266.62469	1.0
277.21640	100.0
295.24347	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	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03951	13.4
55.01863	5.1
55.05508	19.7
57.03420	2.6
57.07088	7.5
67.05509	36.6
69.06722	2.3
69.07074	36.5
69.38941	12.2
71.04961	1.7
71.08620	4.5
75.06326	1.6
76.77927	1.4
79.05499	29.0
81.03421	48.2
81.07060	36.4
83.04984	16.2
83.08624	9.6
91.05476	14.3
93.07054	30.0
95.04975	28.1
95.08607	16.9
97.06538	2.0
97.10165	6.1
99.08085	1.9
105.07024	20.3
107.08602	19.2
109.06513	6.8
109.10181	10.2
111.08089	4.4
111.33449	1.3
114.26880	1.3
117.07008	2.8
119.08587	7.2
121.10154	7.2
121.64458	1.3
123.08062	1.7
123.11678	4.5
125.09627	9.2
129.06998	4.3
131.08588	4.0
131.91113	1.9
133.06506	2.7
133.10161	12.7
135.07092	1.3
135.08026	5.5
135.11673	7.0
136.93013	1.8
137.13251	1.6
143.08539	1.9
145.10135	2.2
147.11694	9.3
149.13254	6.2
151.11197	25.5
153.09059	3.2
154.94206	2.2
156.97531	1.8
157.10121	2.0
161.13298	15.2
163.14827	5.9
165.12784	3.3
167.10678	1.6
171.11674	4.6
173.13295	3.2
175.14742	4.1
177.12721	2.3
179.14291	2.7
182.99156	1.4
185.13260	4.2
189.11205	2.4
189.12753	2.8
199.14818	2.4
207.13783	3.5
213.00058	5.5
221.15356	3.1
231.21030	5.1
241.19531	8.6
249.22182	3.6
259.20618	7.4
269.02759	3.0
277.21637	100.0
295.22784	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.00289	2.9
53.03936	4.8
55.01866	7.1
55.05504	20.0
56.96571	4.2
57.07066	4.2
65.03927	2.7
67.05510	91.7
69.03424	5.0
69.07069	30.9
71.04997	83.9
71.08640	3.5
79.05499	77.7
81.07063	92.3
83.04971	9.3
83.08630	16.9
85.06541	10.5
86.09711	3.8
91.05481	31.1
93.07050	97.1
95.04988	6.0
95.08612	71.5
96.95564	2.7
97.06538	37.7
97.10180	8.3
99.08125	5.5
104.55901	2.6
105.07022	19.4
106.65808	3.3
107.08602	61.9
109.06512	5.3
109.10148	27.5
111.08104	10.4
117.07003	6.3
119.08574	26.9
121.06522	3.4
121.10144	100.0
123.08073	8.0
123.11726	9.1
123.73569	2.7
125.09650	4.7
129.07056	3.7
131.08568	11.7
133.10112	16.7
135.08075	3.5
135.11703	70.0
137.05981	10.5
145.10135	9.4
147.11673	9.0
149.09702	3.7
149.13239	23.8
151.11182	4.3
159.11694	9.0
161.09668	3.3
161.13239	9.1
163.11205	4.1
163.14841	5.9
169.84857	2.6
171.11720	3.3
173.13268	5.8
175.14894	5.1
177.12738	5.3
181.12245	6.2
184.07329	10.9
185.13174	3.4
195.13817	10.3
195.89938	4.1
199.14830	3.9
207.13898	3.3
216.03673	2.9
221.15327	5.1
241.19391	4.8
259.20721	7.5
267.77487	2.9
277.18335	7.5
277.21603	88.7
282.32303	3.6
295.22751	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	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03953	1.5
55.01874	2.1
55.05517	10.6
57.07068	4.2
67.05175	2.0
67.05512	23.9
69.07076	18.8
69.07736	1.0
70.61778	2.6
70.62148	2.7
71.04984	3.0
79.05505	22.6
80.49143	1.2
81.06578	1.8
81.07061	32.1
83.04981	4.6
83.08624	6.1
85.06556	2.5
86.88644	1.2
91.05482	13.5
93.07053	30.4
95.04971	3.7
95.08619	29.5
95.09131	0.8
97.06537	10.9
97.10175	3.5
99.08098	1.6
105.07035	13.0
107.04946	1.7
107.08602	24.1
108.48435	1.1
109.06516	3.8
109.10166	9.8
111.08105	2.1
116.51165	1.2
117.07026	3.1
119.08587	9.5
121.06521	2.3
121.10149	13.3
123.08057	3.9
123.11678	3.9
125.09647	2.6
127.24939	1.2
129.06972	2.4
131.08562	6.6
133.10149	7.3
135.11710	20.9
137.09627	1.7
139.11240	1.5
143.08539	2.3
145.10158	4.6
147.11708	9.7
149.09633	1.7
149.13246	10.0
151.11200	3.5
157.10121	4.1
159.11699	3.9
161.13271	5.1
163.11201	3.8
163.14734	1.5
165.12700	1.8
171.11716	2.5
173.13240	4.2
175.14818	2.9
179.14279	1.3
185.13237	5.5
189.12758	1.7
193.15968	1.5
199.14861	3.4
203.14391	1.9
207.13818	4.5
221.15369	5.0
221.18135	1.9
231.21150	2.5
241.19627	7.4
259.20621	20.4
277.21652	100.0
295.22678	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	295.2271
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.33229	2.7
55.05490	4.0
57.07061	3.6
65.31582	2.7
67.05496	5.3
69.07063	6.0
69.32078	18.5
69.32488	6.7
79.05496	5.0
81.07050	10.7
83.08609	4.3
89.90034	3.0
91.05479	4.6
93.07071	17.9
95.08616	28.7
103.07475	3.1
105.07023	6.6
107.08622	20.6
109.10166	16.0
119.08605	3.7
121.09323	4.5
121.10162	79.2
123.11697	10.0
133.10123	6.3
137.09622	3.7
149.09589	8.2
151.11205	4.2
157.10110	4.6
159.11755	4.4
161.13263	3.5
164.08794	3.0
168.42165	3.1
169.10132	3.5
171.11784	4.2
185.13255	3.5
187.14844	7.6
199.14842	4.9
225.16245	4.5
231.21133	4.3
234.00797	3.0
241.19554	8.0
259.20517	13.0
260.17636	3.5
277.18814	6.3
277.21655	100.0
295.20126	3.4
295.24457	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	296.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	2.7
70.30077	2.6
71.07378	1.6
82.08767	0.8
86.09212	1.7
86.09711	22.3
95.28129	0.8
95.28721	0.8
98.21281	1.6
104.10752	100.0
112.00082	0.9
116.16140	0.9
145.61757	1.0
215.98708	1.1
222.02939	2.0
236.99257	28.7
238.39024	0.8
296.06619	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	296.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
53.04940	2.4
55.01873	9.0
55.05500	4.0
56.96562	22.1
57.03443	18.6
61.02931	19.3
69.03430	43.8
69.03770	4.7
69.07043	2.5
69.44495	18.0
69.92118	2.4
70.06586	4.2
70.98137	5.9
71.01345	2.3
71.04982	6.8
71.94119	3.5
73.02924	19.0
79.05492	8.5
81.03416	13.0
81.07063	9.7
82.99858	2.8
83.04980	5.0
84.08154	4.2
85.02906	83.8
86.03229	3.7
86.09705	49.4
87.04467	11.3
89.03905	3.6
91.03983	3.6
91.05479	17.5
92.05817	2.6
93.07043	11.9
95.04950	7.0
97.02900	35.9
98.97591	62.3
99.04447	10.5
101.00867	25.9
101.02367	5.2
102.00975	3.8
102.05502	2.8
103.00654	3.0
103.03959	2.6
103.05471	9.5
104.10687	3.4
107.01842	4.3
107.04961	9.0
109.02882	8.7
109.06537	8.8
110.01313	6.2
110.97572	15.4
111.04465	2.7
112.99133	3.1
115.02453	5.0
116.01287	2.8
116.60931	2.4
116.98614	18.2
117.01889	2.1
119.01908	38.5
119.04964	8.5
120.01950	5.0
121.01650	4.4
121.06509	100.0
122.06882	4.3
123.04473	3.2
125.01801	3.9
127.03919	21.3
127.96656	3.9
128.98579	14.8
129.02110	2.3
129.03084	6.4
129.05482	2.9
131.01859	8.8
131.04903	2.8
131.96159	28.8
132.10205	2.9
132.95825	3.2
133.01624	4.4
133.03461	7.9
134.02260	7.3
134.99701	3.6
135.04514	5.3
136.06165	2.9
137.05978	51.5
139.02425	4.5
141.03056	2.8
143.00179	4.2
143.01880	18.9
144.02002	4.8
145.01668	4.3
145.03468	8.6
145.04927	10.1
145.97711	6.1
146.02304	5.5
146.99620	10.0
147.01385	4.4
147.06570	3.9
149.97191	5.5
152.98679	3.3
153.03159	7.0
156.02087	2.6
157.03459	20.2
158.02332	2.6
158.03583	5.6
158.99669	26.5
159.00974	3.6
160.04034	4.7
161.01546	2.4
161.02975	20.2
162.03127	3.0
163.02687	4.8
163.03935	13.5
165.05475	47.1
166.05850	5.1
168.01817	3.0
170.03345	7.2
170.99654	10.3
172.97620	5.0
173.01166	3.0
173.02899	3.3
175.04483	17.1
176.03268	2.9
176.04781	3.6
177.00754	17.1
178.03813	13.4
184.05879	3.7
185.02911	2.7
187.04424	63.3
187.54691	3.9
189.00690	4.9
190.98555	5.8
191.04034	3.4
194.07059	7.6
196.04988	12.5
197.03810	6.4
198.55217	6.3
201.00662	5.4
202.05963	11.8
205.05550	44.6
205.55585	5.4
206.04257	37.7
206.05902	8.5
209.03113	3.8
210.02777	2.9
211.02705	5.5
215.04971	57.8
215.06755	2.8
215.55106	3.5
217.11978	2.4
219.01735	16.9
223.01341	5.9
223.04579	3.4
223.06671	38.2
224.06877	12.0
225.06166	3.3
229.03702	5.0
233.03340	3.1
236.04437	21.0
237.00558	3.7
237.06297	2.8
239.04372	4.4
241.07823	5.3
249.02861	6.7
254.01926	14.6
255.01707	5.2
265.07675	35.3
266.07904	11.3
273.02722	3.7
279.09238	3.1
287.06082	6.9
291.05676	3.1
296.02930	18.7
296.06790	4.4
296.16995	3.9
297.02560	3.0
307.08646	5.3
309.04602	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	296.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97945	0.3
69.03402	0.5
69.55562	2.0
81.32586	0.3
85.02916	0.6
87.04472	34.3
91.05476	1.4
97.02908	0.4
105.16511	0.3
117.05767	0.7
118.06552	4.6
119.04910	0.3
134.09683	0.7
136.07588	0.6
146.06017	19.6
164.07109	0.5
165.07883	0.4
172.93123	0.3
178.08641	49.2
180.10204	0.5
210.11263	19.8
211.11600	0.4
264.12375	3.0
290.83597	0.3
296.14938	100.0
297.15161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99858	0.9
53.03936	1.1
55.01878	1.2
56.96547	2.1
57.03441	2.0
62.62304	0.9
69.03416	3.4
70.24085	1.0
71.57652	1.5
75.04441	1.2
79.05477	3.2
81.03382	1.0
84.08124	2.6
85.02897	2.4
85.38563	1.1
86.09711	1.1
91.05456	3.9
93.07049	11.6
95.04932	1.1
95.08601	2.4
97.02877	1.4
98.97565	2.5
107.04936	1.1
109.02847	1.1
110.63960	0.9
111.08051	1.1
117.03393	1.4
119.08552	1.1
120.08085	3.1
121.06507	2.5
121.10151	17.5
123.04435	1.2
127.01463	1.2
131.04910	1.1
133.02859	1.4
135.04433	1.3
137.05905	2.9
145.02808	3.8
147.04424	1.2
149.09546	2.2
163.03848	2.8
165.04382	1.9
165.06950	1.3
165.08931	1.0
177.05414	6.1
177.06944	1.9
194.07262	2.2
195.07968	1.3
202.86369	1.0
205.06523	5.8
219.08101	1.6
222.06729	3.9
223.07518	1.4
231.01599	1.1
233.05977	1.7
236.08067	1.3
237.09167	4.8
250.06311	1.6
251.06975	4.3
265.06628	33.8
269.08029	1.3
273.02893	1.1
279.06430	3.1
281.08194	1.1
282.08798	1.8
297.09390	100.0
315.10562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
57.02413	0.4
65.03938	1.7
67.05521	1.0
69.03457	0.4
69.07083	0.8
71.58876	0.5
75.04489	1.2
79.05489	1.2
81.03416	0.7
81.07052	1.3
91.05466	0.8
93.03420	3.4
93.07042	0.8
95.08614	1.4
97.02867	1.1
98.97615	0.7
106.82339	0.4
107.04968	1.0
107.08596	0.6
109.10136	0.8
111.04450	1.1
117.03387	1.2
121.02876	13.1
121.06524	0.9
121.10137	0.7
125.06030	0.7
125.16423	0.4
135.04410	2.9
145.02870	0.7
149.02362	16.9
153.05478	5.0
159.11734	0.4
163.03928	7.7
167.03433	3.9
167.06984	0.8
167.52693	0.4
177.05548	0.6
181.04973	100.0
191.03409	11.2
195.06569	0.9
205.04997	0.8
209.04466	1.0
213.05495	0.6
223.06035	70.5
225.13553	0.5
237.09135	0.5
237.13362	2.6
243.14516	0.6
255.08661	1.2
255.14450	4.5
265.08557	0.5
297.07620	1.1
297.11200	1.7
297.18530	0.6
297.25800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01879	13.6
55.05520	11.2
56.74842	2.2
57.03438	18.0
57.07085	3.4
60.22371	1.8
61.02918	9.5
65.03944	3.6
67.05506	25.2
69.03080	2.9
69.03433	44.2
69.07079	12.2
70.94567	4.2
70.94907	3.2
71.01329	4.6
71.04993	11.1
73.02924	11.7
77.03926	3.1
78.62026	2.1
79.05495	24.5
81.03422	23.7
81.07062	46.2
83.04991	13.8
84.63151	2.0
85.02427	3.9
85.02908	62.0
85.06533	4.3
87.04469	4.4
91.05483	36.7
93.07050	100.0
95.04967	25.7
95.08611	28.5
97.02909	28.2
97.06516	8.1
99.04467	14.0
101.02390	2.5
101.66445	2.1
103.03941	12.8
103.05479	3.6
105.03350	3.1
105.04544	2.6
105.07036	70.0
107.04952	9.3
107.08601	88.2
109.02871	7.0
109.06533	14.7
109.10146	26.5
111.04475	10.9
113.06002	2.4
115.03920	8.8
115.05437	3.9
117.07018	15.6
119.04928	8.9
119.08589	42.0
121.06524	14.0
121.09309	4.2
121.10147	71.7
122.03654	2.6
123.04424	8.0
123.08073	10.6
123.11732	12.6
125.06024	3.5
127.03932	19.6
128.06229	4.3
129.05487	4.2
129.06987	8.7
131.08582	22.2
133.05000	6.6
133.06480	5.8
133.10139	40.6
135.04414	3.6
135.08054	7.1
135.11697	68.2
137.05983	46.5
137.09625	2.9
137.13257	2.8
141.05495	3.0
141.06981	3.2
142.07802	4.8
143.08560	13.1
144.09341	4.3
145.05026	10.4
145.06490	11.5
145.10124	28.1
146.06013	6.3
147.04411	18.6
147.08063	9.1
147.11702	39.4
149.06017	5.2
149.09561	5.0
149.13216	7.9
151.07561	3.2
151.11157	13.9
153.05461	5.0
153.12733	14.4
155.08571	6.9
157.10167	15.1
159.08060	8.0
159.11700	23.6
161.09634	8.2
161.13246	12.1
163.11203	15.0
165.12781	14.8
169.10126	3.7
171.11658	7.2
173.05991	16.8
173.09644	5.7
173.13248	6.8
175.11186	11.4
177.09206	3.0
177.12776	30.9
178.08652	11.3
181.12131	2.3
183.11690	5.1
185.09686	3.4
185.13193	3.3
187.07594	2.8
187.11211	5.5
189.12764	12.1
191.08629	11.9
191.10304	3.1
191.14302	3.5
193.12207	4.0
195.08086	3.9
195.13939	2.7
197.13303	3.0
199.11218	4.9
201.12735	12.8
203.10817	2.8
203.14243	2.5
205.06465	2.5
205.12253	3.4
207.13847	6.5
213.12712	3.1
215.14333	7.3
219.08099	15.1
219.13861	14.4
222.11281	11.1
225.12732	4.6
227.46858	2.1
231.13855	11.1
236.04720	4.5
236.08406	2.7
237.09212	7.4
243.13902	20.4
247.07610	5.5
248.09184	3.0
249.14847	6.6
251.07042	6.5
251.10718	12.2
254.13760	2.3
261.14883	38.6
265.08615	11.0
266.10178	4.6
269.08066	11.0
279.10144	7.2
279.15961	49.5
297.07715	6.7
297.11557	28.0
297.16992	78.0
298.12784	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	297.1698
Annotation	[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Peak:m/z	Relative Intensity
53.03938	5.3
55.01869	10.3
55.05505	12.1
57.03444	19.1
57.07074	2.4
57.75895	2.3
57.80832	2.0
59.04998	3.9
61.02930	12.9
65.03936	3.6
67.05514	22.0
69.03438	50.2
69.07065	8.8
69.20697	19.8
69.21094	5.1
71.01340	2.1
71.04987	9.7
73.02935	13.7
75.04510	2.8
79.05496	28.0
81.03418	29.0
81.07062	49.4
83.04979	12.0
85.02914	70.7
87.04474	5.3
91.03933	2.7
91.05480	34.7
93.07053	100.0
95.04984	16.4
95.08614	32.2
97.02908	35.6
97.06540	7.6
99.04463	21.7
103.03951	11.8
105.06377	4.1
105.07040	57.5
107.04948	6.7
107.08606	97.9
109.02898	10.6
109.06535	12.2
109.10174	33.0
111.04449	8.8
115.03918	6.7
115.05477	2.3
117.07031	12.6
119.08598	37.8
121.06515	9.7
121.10152	67.6
123.04438	8.3
123.08083	8.2
123.11709	14.2
125.05975	4.1
127.03919	20.4
128.06184	2.9
129.05515	3.6
129.07016	9.5
130.07777	2.8
130.21071	2.3
131.08578	23.3
133.04984	3.7
133.06502	4.1
133.09235	3.9
133.10149	43.4
135.08057	8.2
135.11705	93.2
137.05988	3.2
137.09630	9.7
137.13251	2.6
141.05452	2.4
141.07056	2.5
142.07767	4.1
143.08606	12.0
143.30423	2.3
144.09354	2.7
145.04964	10.7
145.06514	5.1
145.10135	24.3
147.08044	6.8
147.11700	36.7
149.09651	5.8
149.13280	4.0
151.11177	8.3
153.12759	35.4
155.08482	4.9
156.09346	3.6
157.10129	14.0
159.08090	5.7
159.11705	22.5
161.09663	7.2
161.13242	10.2
163.11191	14.8
165.12755	8.6
168.09317	2.4
169.10135	3.6
171.11739	8.6
171.71159	2.3
173.09596	4.0
173.13287	6.1
175.11179	12.7
177.09108	3.4
177.12784	15.9
183.11699	4.6
187.11247	6.0
188.07155	2.2
189.12665	11.3
191.14369	5.3
197.13286	5.3
201.12732	9.8
203.14392	2.6
205.12227	3.0
207.13719	4.5
213.12834	2.2
215.14322	5.1
219.13820	11.7
220.09726	3.5
225.12852	3.4
231.13841	8.6
233.15257	2.2
243.13831	15.4
246.73473	2.5
249.14922	4.3
261.14893	37.7
276.42294	2.6
279.15915	34.3
297.17007	73.4
298.12793	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	297.1698
Annotation	[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Peak:m/z	Relative Intensity
51.67616	3.2
53.03942	4.2
53.22459	2.7
55.01860	9.8
55.05511	11.5
57.03435	17.7
59.05004	3.4
61.02934	16.3
67.05505	23.0
69.03436	45.9
69.07071	9.0
71.01357	5.0
71.04991	10.5
71.16219	5.6
73.02924	15.2
79.05496	25.6
81.03432	27.5
81.07061	51.8
83.04974	13.2
83.08603	4.6
85.02429	4.8
85.02908	57.0
87.04463	5.9
89.87625	2.6
91.05494	28.1
93.07049	100.0
95.04985	26.4
95.08614	32.9
97.02914	25.8
97.06502	6.6
99.04460	16.5
103.03909	10.4
105.07034	68.2
107.04941	7.7
107.08604	85.9
109.02885	10.8
109.06512	21.3
109.10164	24.6
111.04420	14.0
115.03918	8.1
115.18932	2.9
117.07025	17.6
119.04917	2.9
119.08601	41.7
121.06516	12.3
121.10149	84.0
123.04416	7.9
123.08049	8.4
123.11703	12.2
127.03944	15.0
127.05755	3.9
129.05521	5.2
129.06999	6.7
130.07758	4.0
131.08588	27.7
133.04933	4.8
133.06581	6.9
133.10141	42.0
135.08035	11.3
135.11703	67.0
137.05969	22.0
137.09613	6.9
141.05472	4.4
141.07040	3.7
141.44623	2.8
142.07751	4.6
143.08571	14.8
144.09341	4.2
145.04939	12.6
145.06497	8.4
145.10135	27.2
146.05965	6.1
147.04410	10.5
147.08052	9.8
147.11682	35.6
149.05975	3.2
149.09624	10.3
149.13277	11.0
151.11183	11.8
153.05389	6.0
153.12721	12.3
155.08577	7.8
157.10147	12.3
159.08052	7.6
159.11699	23.0
161.09677	5.4
161.13271	9.0
163.07411	4.9
163.11214	18.8
164.45926	3.1
165.09090	3.6
165.12761	13.9
169.10031	4.0
171.11713	7.6
173.06007	7.4
173.09653	7.4
173.13263	5.9
175.07561	3.1
175.11214	13.4
177.09105	3.1
177.12762	32.1
178.08658	6.6
183.11707	6.2
185.09636	3.7
187.11263	5.9
189.12801	14.4
191.08591	8.5
191.10577	3.5
191.14270	3.6
201.12779	16.3
203.10709	3.0
207.13747	6.0
214.93044	3.3
215.14366	7.4
217.12257	5.1
219.08006	4.7
219.13753	18.2
221.11639	3.5
222.11223	7.9
225.12762	3.2
231.13812	12.9
237.09236	4.9
243.13815	20.8
249.14844	7.2
251.07031	3.3
251.10783	4.4
261.14877	39.0
265.08514	4.0
266.10388	5.7
269.08026	6.2
279.13226	4.3
279.15985	56.0
297.07669	8.0
297.11258	16.6
297.16983	83.3
298.12857	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	297.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64812	1.2
55.01844	1.0
55.05514	7.1
56.96575	3.0
57.07065	2.8
59.04984	2.4
65.03939	1.0
67.05510	18.0
69.03443	7.5
69.06768	1.2
69.07078	12.5
69.50571	7.7
71.04993	3.2
71.08605	2.1
71.35252	1.3
73.02913	2.0
73.06550	2.2
75.04481	2.6
77.04069	1.2
79.05492	8.8
81.07061	22.9
83.04964	1.9
83.08616	6.5
85.02914	1.2
85.06531	4.9
91.05468	7.7
93.07047	12.7
95.04971	3.6
95.08039	2.1
95.08613	21.8
97.06540	2.8
97.10179	2.5
98.20657	2.2
98.97612	1.2
99.08089	1.7
105.07024	9.2
106.38739	1.1
107.04948	1.4
107.08605	12.2
109.06524	2.4
109.10160	9.9
111.08081	2.6
115.07598	10.2
117.07000	3.0
119.08582	8.0
121.06511	10.2
121.10151	13.3
122.07262	3.0
123.08065	10.1
123.11691	6.2
125.09662	1.4
129.05467	1.2
129.07050	1.5
131.08578	4.9
133.10138	8.1
135.08063	27.6
135.11681	10.0
137.05986	2.4
137.09642	1.5
137.13260	1.7
142.63092	1.0
145.10141	7.1
147.08063	2.3
147.11687	7.1
149.06029	1.6
149.09630	5.5
149.13249	3.1
151.11208	1.5
157.10158	2.0
159.08090	3.0
159.11722	3.2
161.09633	2.8
161.13254	2.0
163.07552	10.5
163.11191	3.0
163.14807	1.7
171.11690	1.2
172.12396	1.2
173.09708	2.0
173.13272	6.6
175.11121	2.3
176.12025	5.8
177.09158	6.6
178.09909	1.1
179.14276	1.4
187.14833	7.1
191.10732	2.0
191.14320	67.5
191.23251	1.2
195.10236	2.5
197.13298	3.1
205.15912	12.7
215.14340	10.9
233.15382	100.0
243.21220	1.3
247.16838	5.4
250.78708	1.1
261.22192	3.4
265.18024	24.7
266.12039	1.1
279.19623	13.4
279.23187	7.7
297.20676	43.5
297.24210	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	297.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43913	2.3
55.05499	9.1
59.05008	2.6
67.05510	23.0
67.43227	2.6
69.03428	9.6
69.07073	14.5
71.57506	2.2
71.57896	3.5
75.04497	2.6
79.05489	8.7
81.07051	27.2
83.04968	4.2
83.08604	7.1
85.06534	3.8
88.00802	2.2
89.86430	2.3
89.91922	2.2
91.05470	7.5
93.07047	12.8
95.04967	5.5
95.08608	27.5
97.02866	2.8
105.07001	6.8
106.62794	2.4
107.08599	10.6
109.10151	9.6
115.06849	2.9
115.07549	11.8
117.07053	3.0
119.08573	9.7
121.06490	8.7
121.10142	12.1
122.07254	3.3
123.08075	11.9
123.11678	5.3
129.05457	3.4
131.08575	5.0
133.10149	6.6
135.08055	29.9
135.11708	10.1
137.13206	2.7
145.10117	9.9
147.11665	4.3
149.05878	2.5
149.09636	3.7
151.11116	2.5
154.61496	2.3
159.08038	3.7
163.07530	12.9
163.11252	2.9
165.12749	2.2
173.13319	4.2
174.05128	2.2
175.11179	2.6
176.11946	8.1
177.09088	4.8
185.02901	2.9
187.04524	2.8
187.14882	5.1
191.10664	3.3
191.14305	71.3
205.15866	10.2
215.14322	14.8
220.12296	2.2
233.15370	100.0
247.16920	8.2
261.21985	3.2
265.18051	25.9
279.19492	10.3
279.22824	7.1
297.07913	3.3
297.11136	3.3
297.17517	2.9
297.20648	48.8
299.05762	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	297.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.05503	13.6
57.07072	7.5
58.02961	4.9
59.17630	3.2
67.05509	36.2
67.30913	2.9
69.07073	25.5
71.17387	4.2
73.68504	2.5
79.05495	18.2
81.07059	54.7
83.04991	3.1
83.08614	6.6
91.05476	26.5
93.07047	53.1
95.04978	17.5
95.08611	82.2
97.06526	11.9
103.05458	4.5
105.07040	71.6
107.08601	43.0
109.06496	8.4
109.10164	25.9
115.05485	4.1
117.07022	11.6
119.08600	50.8
119.09435	3.6
121.06506	19.3
121.10153	100.0
123.08056	7.5
123.11717	55.7
129.07018	7.8
130.07774	3.5
131.08578	17.0
133.10141	53.6
135.08092	6.1
135.11676	14.2
142.07834	15.3
143.08575	15.7
144.09410	3.1
145.10139	42.9
146.07213	3.3
147.08076	5.6
147.11697	29.8
149.13248	4.6
155.08578	4.2
156.09363	3.9
157.10121	50.3
159.11719	23.8
161.09602	16.9
161.13261	9.0
169.10117	6.1
171.11696	13.9
173.09702	3.6
173.13304	9.2
175.11208	24.2
175.14836	12.8
177.12878	3.6
179.08643	3.3
182.10916	3.0
183.11693	6.9
183.74550	2.8
185.13219	8.2
187.11122	3.6
187.14819	11.6
189.16301	3.4
193.10176	6.1
195.11685	4.3
197.13249	6.2
199.14803	6.9
201.16335	4.5
208.12553	3.3
209.13297	7.1
213.16411	4.8
222.62080	3.2
223.14824	11.4
227.14369	4.5
241.15897	9.7
297.21982	32.3
297.29852	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	297.2425
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03938	1.8
53.26082	0.7
55.01866	2.7
55.05516	20.5
56.96562	2.6
57.03434	3.7
57.07066	3.0
65.03953	1.1
67.05508	61.2
69.03426	1.4
69.07072	33.9
70.62441	1.7
70.62772	1.3
71.04998	6.4
73.06546	1.6
78.27374	0.7
79.05499	22.0
81.03409	0.8
81.07062	72.2
83.04995	4.4
83.08620	13.0
85.06549	5.4
91.05482	8.2
93.07053	30.1
95.04938	1.6
95.08615	67.3
97.02882	0.9
97.06531	8.0
97.10184	10.1
98.97540	1.1
99.08089	1.6
105.07037	9.6
107.08600	17.4
109.06515	2.0
109.10163	33.0
111.08091	2.6
111.11719	2.1
117.07027	2.3
119.08600	8.9
121.06525	1.4
121.09315	1.5
121.10153	20.4
123.08108	2.0
123.11718	17.6
125.09619	3.4
127.07585	1.1
131.07864	0.7
131.08606	7.1
133.10141	6.7
135.11710	14.3
137.06015	1.0
137.09625	1.2
137.13264	8.1
139.11197	3.2
145.10164	5.4
147.11679	8.0
149.09634	1.0
149.13264	7.0
151.11197	2.3
151.14813	2.9
153.12709	1.9
155.10690	0.7
159.11702	4.1
161.13268	6.2
163.11171	1.7
163.14848	3.1
165.12761	3.1
167.10596	1.1
167.14218	0.8
170.72800	0.9
173.11850	1.1
173.13274	4.8
175.14886	2.5
177.12834	1.0
177.16391	1.9
179.14339	3.0
181.12206	1.0
187.13293	0.9
187.14870	2.8
191.14359	1.1
195.13815	2.2
201.16446	1.3
203.17929	0.9
209.15378	2.7
215.16457	0.9
223.16946	2.2
237.09140	1.2
237.18594	0.9
243.21097	9.9
247.85037	0.8
261.22150	24.0
265.08646	1.7
279.23206	100.0
282.08844	1.3
297.02811	1.1
297.08035	1.3
297.11212	7.0
297.24307	13.7
315.03979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03942	2.7
55.01868	2.8
55.05518	25.5
57.03426	4.7
57.07065	4.6
59.04987	2.2
64.62463	1.2
65.03932	3.3
67.05510	76.0
69.06730	2.3
69.07076	33.9
71.04996	10.7
71.08630	2.0
71.27374	3.2
79.05494	25.4
81.07063	100.0
83.04993	3.8
83.08628	15.6
85.06567	8.0
91.05479	12.6
93.06470	2.2
93.07051	33.0
95.04983	2.5
95.08613	91.6
97.06537	9.8
97.10183	14.5
99.08090	3.1
105.07025	11.2
107.04987	1.4
107.08611	22.5
109.06502	1.4
109.10163	44.8
109.45742	1.5
111.08078	3.2
111.11714	2.9
113.09639	1.3
117.06998	3.9
119.08591	12.5
121.06557	2.1
121.10152	24.8
123.08108	2.0
123.11715	20.5
125.09641	4.3
131.08583	8.3
133.10159	11.6
135.08051	1.7
135.11691	15.9
137.09622	2.0
137.13289	10.4
139.11186	3.6
145.10139	7.1
147.11670	10.0
149.09642	1.8
149.13287	7.7
151.11206	3.1
151.14799	2.9
153.09125	1.7
153.12746	2.7
159.11700	6.4
161.13297	10.1
163.14821	2.8
165.12782	3.2
173.13255	4.7
175.14812	4.1
177.12808	1.5
177.16414	1.9
179.14323	3.9
181.12267	2.8
187.14806	3.9
193.15981	1.6
195.13873	2.1
201.16415	1.9
205.15970	1.4
209.15323	1.8
223.16879	2.5
243.21091	9.8
261.22156	23.1
279.23212	68.5
297.24237	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	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03955	2.2
55.05514	15.5
56.96552	2.4
57.03440	2.6
57.07064	4.5
63.43239	1.1
65.03922	1.6
67.05511	71.4
69.03422	1.5
69.07074	20.6
69.65708	7.9
71.04640	1.8
71.05000	22.7
71.08624	1.8
79.05502	17.4
81.07063	100.0
83.04975	3.1
83.08629	15.9
85.06550	19.1
89.49688	1.1
91.05489	11.3
93.07056	19.9
95.08615	89.9
97.06541	5.9
97.10195	7.4
98.97613	3.6
99.08098	9.3
105.07039	11.1
107.08607	15.4
109.06535	1.7
109.10165	41.9
111.08080	2.9
111.11737	2.8
115.07590	1.7
116.98596	3.5
117.06985	1.5
119.08602	9.8
121.06520	2.6
121.10146	19.5
123.08067	3.6
123.11705	22.6
125.09690	2.0
131.08583	4.7
133.10141	9.8
135.08078	5.4
135.11702	12.2
137.09616	2.6
137.13264	7.7
145.10124	4.5
147.11713	12.1
149.09586	1.5
149.13310	4.9
151.11238	3.4
151.14850	3.4
159.11713	2.6
161.13269	11.5
163.14816	1.7
164.81003	1.1
165.12775	4.8
167.10724	1.4
173.13309	4.6
175.14807	1.7
176.12022	1.3
177.12688	1.2
179.14319	6.1
187.14864	3.1
191.14348	7.2
193.15903	1.4
201.16263	1.3
209.15442	1.3
215.14346	1.8
215.18105	1.9
223.16977	2.1
233.15457	11.2
237.18489	1.6
243.21156	4.8
251.20067	1.5
261.22159	11.8
274.97672	2.1
279.23209	20.2
292.98624	1.5
297.20932	3.1
297.24307	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	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03930	3.0
55.01870	2.5
55.05511	23.0
56.96557	7.1
57.03417	2.7
57.07063	5.5
65.03922	3.2
67.05505	83.2
69.07069	33.4
71.04999	12.1
71.19377	1.6
71.57903	2.4
72.89645	1.5
79.05495	26.4
81.07058	100.0
82.07390	1.8
83.04976	3.0
83.08614	18.9
85.06539	9.4
91.05484	15.7
93.06480	2.2
93.07050	36.3
95.08607	90.9
96.55340	1.8
96.65719	1.6
97.06528	7.4
97.10152	10.7
98.97582	5.4
99.08075	2.7
101.05934	1.5
103.18182	1.5
103.47263	1.9
105.07033	14.9
107.04903	1.9
107.08595	26.8
109.06543	3.8
109.10156	40.3
111.08092	5.4
116.98608	3.4
117.06998	4.0
119.08572	11.6
121.06508	2.7
121.10146	28.4
123.08020	4.0
123.11702	14.9
123.89249	1.5
125.09573	2.0
131.00191	3.9
131.08583	8.9
133.10129	10.6
133.32700	1.5
135.11703	16.0
137.09619	3.3
137.13280	5.4
145.10112	9.2
147.08133	1.8
147.11668	6.8
149.01227	8.0
149.09557	2.6
149.13245	4.9
151.11211	2.3
151.14743	1.9
153.12761	2.9
159.11650	7.5
161.13283	8.6
163.11195	2.3
163.14813	3.3
165.12729	2.8
173.13210	4.2
175.14827	2.7
177.12796	2.4
177.16293	1.7
179.14322	4.4
187.14868	7.7
205.15840	2.9
225.15825	2.6
233.15649	1.9
234.16199	3.1
236.76170	1.5
243.16888	2.0
243.21037	4.5
256.15851	1.8
261.22137	13.7
265.16415	3.0
274.16895	2.1
274.97586	2.3
276.67062	2.4
277.13800	34.7
279.23181	27.3
285.67725	4.7
297.18576	7.8
297.24249	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03964	3.5
55.01875	3.2
55.05517	100.0
55.05788	5.1
56.96572	6.8
57.07070	4.0
65.13618	2.2
67.05508	16.8
69.07076	9.2
70.66120	5.5
71.04979	4.4
71.08634	3.7
76.31454	2.1
79.05503	9.1
81.07065	39.1
83.04976	3.6
83.08629	93.7
85.06542	5.2
91.05492	7.4
93.07049	13.4
95.08615	38.3
97.06532	9.8
97.10165	3.9
98.97598	5.4
99.08077	3.4
105.07059	12.6
107.08595	9.5
109.10168	8.3
111.08071	3.7
111.38517	2.2
116.98654	4.1
119.08585	14.9
121.10135	9.7
123.11686	3.2
131.08649	2.4
133.10130	11.1
135.11681	7.4
136.69617	2.7
137.13297	8.9
147.11638	2.6
155.08594	2.6
157.10153	2.4
159.11732	2.8
161.13283	35.8
173.13333	3.0
179.14340	23.7
197.13840	2.4
197.15315	13.9
215.16498	2.6
221.62993	2.7
265.08652	4.6
274.97623	4.6
279.23206	7.7
297.11212	3.5
297.18994	3.2
297.22327	5.8
297.25681	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	297.2426
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03939	3.4
54.89937	2.4
55.01877	9.0
55.05262	4.5
55.05514	61.4
56.96560	9.4
57.03441	11.9
57.07077	21.2
59.05009	3.1
64.33088	2.3
65.03914	3.2
67.05506	81.9
69.03420	6.0
69.06717	3.9
69.07074	53.2
70.84798	3.1
70.85160	6.9
71.01350	9.0
71.04995	5.7
71.08636	22.5
79.05078	2.9
79.05500	36.1
81.06578	5.1
81.07059	100.0
83.04989	5.6
83.08625	40.3
83.42024	2.3
85.06551	6.5
91.05478	10.5
93.07062	35.5
95.04980	6.6
95.08614	85.0
96.41789	2.7
97.06539	11.3
97.10176	36.1
99.04447	4.3
99.08096	10.3
105.07014	13.7
107.08595	35.8
109.06548	3.0
109.10174	50.4
111.11763	3.5
113.06027	5.0
113.99113	2.7
117.06978	3.2
119.08567	13.3
121.10162	19.6
123.08102	2.8
123.11714	17.4
125.09640	25.6
131.08562	6.4
133.10136	10.0
135.08066	3.1
135.11711	30.1
137.09663	2.5
137.13298	11.9
141.12779	9.1
145.10144	5.8
147.11693	9.3
149.13297	5.5
151.11177	3.3
151.14830	5.1
153.09076	2.7
153.12788	11.3
159.11713	7.5
161.13254	8.2
163.14865	5.9
165.12726	6.1
166.56184	2.7
169.15904	10.3
173.11771	4.6
173.13283	7.8
175.14828	3.1
177.12735	4.5
177.16393	3.0
183.13820	95.4
187.14848	5.8
189.11237	16.6
195.13925	2.4
209.15350	4.1
215.00099	3.3
223.14987	3.3
223.16965	3.5
233.22688	5.9
242.16113	2.5
243.21143	7.1
251.23758	22.0
260.17072	2.7
261.22122	23.6
271.68018	7.0
279.23199	87.9
285.67923	4.4
297.18506	6.6
297.24594	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	297.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.26082	0.7
55.01866	2.7
55.05516	20.5
56.96562	2.6
57.03434	3.7
57.07066	3.0
65.03953	1.1
67.05508	61.2
69.03426	1.4
69.07072	33.9
70.62441	1.7
70.62772	1.3
71.04998	6.4
73.06546	1.6
78.27374	0.7
79.05499	22.0
81.03409	0.8
81.07062	72.2
83.04995	4.4
83.08620	13.0
85.06549	5.4
91.05482	8.2
93.07053	30.1
95.04938	1.6
95.08615	67.3
97.02882	0.9
97.06531	8.0
97.10184	10.1
98.97540	1.1
99.08089	1.6
105.07037	9.6
107.08600	17.4
109.06515	2.0
109.10163	33.0
111.08091	2.6
111.11719	2.1
117.07027	2.3
119.08600	8.9
121.06525	1.4
121.09315	1.5
121.10153	20.4
123.08108	2.0
123.11718	17.6
125.09619	3.4
127.07585	1.1
131.07864	0.7
131.08606	7.1
133.10141	6.7
135.11710	14.3
137.06015	1.0
137.09625	1.2
137.13264	8.1
139.11197	3.2
145.10164	5.4
147.11679	8.0
149.09634	1.0
149.13264	7.0
151.11197	2.3
151.14813	2.9
153.12709	1.9
155.10690	0.7
159.11702	4.1
161.13268	6.2
163.11171	1.7
163.14848	3.1
165.12761	3.1
167.10596	1.1
167.14218	0.8
170.72800	0.9
173.11850	1.1
173.13274	4.8
175.14886	2.5
177.12834	1.0
177.16391	1.9
179.14339	3.0
181.12206	1.0
187.13293	0.9
187.14870	2.8
191.14359	1.1
195.13815	2.2
201.16446	1.3
203.17929	0.9
209.15378	2.7
215.16457	0.9
223.16946	2.2
237.09140	1.2
237.18594	0.9
243.21097	9.9
247.85037	0.8
261.22150	24.0
265.08646	1.7
279.23206	100.0
282.08844	1.3
297.02811	1.1
297.08035	1.3
297.11212	7.0
297.24307	13.7
315.03979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01155	4.9
69.03437	0.4
70.50610	0.8
73.91673	0.2
75.02707	2.3
83.74223	0.2
94.04057	0.5
97.02876	1.1
97.21877	0.2
103.02166	0.4
105.85946	0.2
119.03560	1.0
124.82242	0.2
136.06194	100.0
137.04604	0.3
137.06488	0.4
145.03224	1.2
154.68408	0.3
163.04228	1.6
230.00073	0.2
290.12057	0.2
298.09677	5.0
312.46317	0.2
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
54.33799	0.2
55.01868	0.2
55.92999	0.2
56.59674	0.2
56.96574	0.3
57.03432	0.3
59.04990	0.4
59.95682	0.2
62.26836	0.2
69.03426	0.5
69.43082	1.2
73.02898	0.3
85.02905	0.4
85.31261	0.2
86.68886	0.2
87.04449	0.2
97.02890	0.3
98.97592	0.3
99.22827	0.2
101.06033	0.7
109.05148	0.7
110.03526	1.0
119.07073	0.3
121.05110	0.3
121.06483	0.3
124.03969	0.5
128.04576	0.6
134.04625	0.2
135.03033	1.2
136.06207	1.9
146.44879	0.2
149.04608	7.3
152.05701	7.0
152.10439	0.2
153.04089	1.9
166.07262	100.0
167.05664	4.9
167.07675	0.3
179.09341	0.3
212.09042	0.2
238.10890	0.2
238.28969	0.2
239.86589	0.2
252.08484	0.2
266.11731	0.5
298.09335	0.2
298.12775	1.2
298.16208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1287
Annotation	5574-80-1
Peak:m/z	Relative Intensity
55.51984	0.3
56.05027	0.7
70.06595	0.4
70.79429	0.7
82.06561	0.4
83.08598	0.4
84.97128	0.3
85.23856	0.3
91.05476	0.9
103.05449	1.0
105.07061	0.6
115.05438	0.7
117.05802	0.5
117.07016	0.4
118.06547	1.4
119.04962	0.6
121.06513	0.6
123.04449	0.4
128.24890	0.4
130.06525	4.0
131.04962	0.8
131.07286	1.3
132.08112	0.9
135.08049	0.6
136.06180	0.9
143.07256	0.8
144.08089	2.4
146.06032	5.1
146.09631	0.4
148.07552	0.6
152.07036	0.5
158.05995	2.3
160.07524	0.7
162.09135	0.6
172.07579	7.2
176.07098	1.8
178.08659	6.2
186.05492	1.2
190.08688	1.7
192.10207	1.0
194.55681	0.3
204.06595	4.4
204.10217	24.6
206.08131	0.8
208.09731	0.4
209.08145	0.9
216.06604	0.6
218.08138	14.1
219.08437	0.4
234.07794	1.6
236.09190	20.3
236.12756	6.3
238.07217	0.7
248.09160	3.2
250.10774	5.3
251.07820	0.7
252.12401	0.6
266.10233	24.2
268.08594	0.5
268.11813	11.7
280.11832	0.6
298.12872	100.0
299.13403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1286
Annotation	5574-80-1
Peak:m/z	Relative Intensity
50.23854	0.7
55.05500	1.6
56.96560	1.1
57.03432	0.9
59.04988	1.0
65.03947	1.0
69.03424	1.5
70.06598	1.4
81.07030	1.4
83.04960	0.9
84.04531	1.0
85.02908	2.9
91.05473	2.6
92.05000	2.3
93.07045	0.8
97.02883	2.3
98.97594	1.3
101.06024	2.1
103.05446	0.8
107.04932	3.5
108.05287	1.7
116.05009	1.4
118.06516	3.3
119.04983	0.9
119.07094	1.2
120.04465	2.9
120.40070	0.7
121.06515	4.9
123.04468	1.4
124.03970	6.5
127.03930	1.0
132.08055	1.1
134.06029	1.3
135.04471	1.2
136.06203	22.1
136.07487	2.1
137.06006	0.8
144.04456	10.5
146.06038	5.1
146.35988	0.8
147.04387	1.6
148.03920	1.8
149.04764	0.8
160.07596	2.7
162.05501	3.7
162.09166	1.1
163.03911	1.4
164.07068	1.3
166.07294	4.3
172.03955	3.5
176.07085	9.2
178.08644	6.1
188.07085	16.0
190.05017	1.1
190.08647	2.2
194.08127	2.5
199.74168	0.8
204.06532	5.1
206.08177	8.4
208.11392	0.8
216.06557	11.6
220.09706	49.1
222.07718	0.9
222.11217	8.0
224.09274	0.9
234.07713	6.2
248.09222	25.0
252.08719	7.7
266.10226	8.6
266.12100	3.6
268.10547	2.6
280.09091	1.9
280.11874	27.5
298.12881	100.0
300.06146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1652
Annotation	Solorinine
Peak:m/z	Relative Intensity
50.89548	0.8
55.01865	1.7
55.05499	3.6
60.04530	61.3
67.05508	7.6
69.07059	2.0
69.60413	5.4
70.02946	1.7
76.26820	0.8
79.05501	6.7
81.07066	16.0
83.04977	8.3
84.04490	1.8
88.03477	1.7
88.04001	26.0
88.04541	1.8
89.41614	0.8
91.05485	19.2
93.07050	24.6
95.04959	6.8
95.08595	3.0
99.04475	0.8
100.24828	0.8
102.05535	1.7
105.07039	29.6
106.05035	100.0
107.04929	1.2
107.08566	5.1
109.06534	17.6
109.10140	2.5
111.08085	5.1
119.08588	9.6
121.06535	1.8
121.10151	2.8
123.08089	1.7
123.11703	1.5
126.77843	0.8
129.07004	1.9
130.05031	4.3
131.08560	6.9
133.06509	2.1
133.10133	35.4
136.06175	1.5
137.05951	1.0
145.10094	1.2
147.11699	29.3
148.06084	1.3
149.09625	2.3
151.07619	5.8
151.11191	85.2
157.10136	2.2
165.12740	4.0
170.38956	1.0
175.11195	15.1
193.12259	13.8
211.13272	1.4
225.38689	0.9
229.89699	0.9
234.14896	3.4
252.16013	9.4
262.14447	3.1
280.15466	17.6
298.16522	41.8
299.25461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1644
Annotation	Auraptene
Peak:m/z	Relative Intensity
53.03936	0.5
55.05495	0.7
56.96565	0.8
57.07084	0.5
65.03938	0.4
67.05515	1.9
69.07074	1.7
71.08640	0.4
79.05495	1.5
81.07066	10.2
85.06525	0.6
91.05486	7.1
93.07038	1.0
95.04948	0.6
95.08614	4.5
105.07025	1.0
107.04961	11.4
107.08604	0.6
109.10144	0.8
119.04957	8.7
119.08588	0.7
121.10123	0.7
133.10114	0.8
135.04433	1.1
135.11690	0.5
137.13269	3.0
141.19270	0.4
163.03917	100.0
170.68076	0.3
173.13371	0.4
189.05528	1.0
191.18123	0.4
200.55185	0.3
203.07077	0.6
209.24593	0.3
215.07039	0.4
253.19559	0.9
257.96985	0.4
267.12183	0.5
287.69376	0.7
299.09482	0.8
299.16510	0.7
299.20114	2.3
299.23688	0.8
299.27325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68758	0.9
53.03931	3.4
55.01876	2.2
55.05511	5.6
56.96553	1.6
57.07072	1.7
65.03953	1.1
65.23731	0.9
67.05503	6.4
68.99783	1.6
69.07070	6.8
70.95432	2.4
71.03316	0.9
71.04655	1.1
72.27682	1.0
75.38811	1.0
77.03941	1.4
79.05501	11.0
81.06654	1.0
81.07072	10.1
83.08611	3.7
90.26347	1.0
91.04969	1.7
91.05486	24.3
91.42393	0.9
93.07051	63.3
95.04967	4.1
95.08623	8.7
97.10133	1.6
98.97581	1.9
103.05462	3.4
105.04498	1.3
105.07025	7.8
107.04940	3.8
107.08603	69.7
108.52325	1.1
109.06511	3.6
109.10141	5.8
112.40018	1.1
113.09634	1.0
116.98600	1.3
117.07018	1.1
119.04948	23.1
119.08587	3.7
121.06499	10.0
121.10137	6.1
123.11710	8.4
123.95453	1.1
131.04904	5.0
131.08531	2.6
133.06490	1.8
133.10165	2.6
135.11702	49.0
137.09589	1.1
143.08554	1.4
143.10785	1.1
145.06496	2.4
145.10121	4.4
147.04417	100.0
149.05974	4.3
150.05475	2.0
151.05873	2.5
155.08513	1.1
157.10150	1.5
159.04419	3.4
159.08029	2.4
159.11684	3.0
161.06004	1.6
161.09637	1.2
165.05493	2.8
169.06416	1.6
169.10144	2.4
171.08032	1.8
171.11797	1.3
173.05986	3.5
177.05482	42.0
178.08710	6.9
179.08929	8.9
179.93294	1.0
181.06447	1.1
183.08069	2.0
185.05992	3.8
185.09688	1.4
185.13385	1.2
187.07581	2.0
191.07103	1.7
197.05971	4.3
197.09686	3.4
197.13332	1.4
199.07585	2.9
201.05440	1.9
203.07159	1.6
211.05586	1.0
211.07506	5.0
213.09209	1.2
215.07124	5.5
221.09744	1.5
225.09102	3.5
225.12814	1.0
229.08598	2.7
239.10695	1.4
243.10168	3.3
249.18475	1.7
253.15840	3.7
263.14340	4.9
267.11972	1.0
281.15417	9.1
299.05585	1.2
299.16302	13.2
299.20062	7.2
318.06415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.03938	2.1
55.05515	3.6
56.96565	1.1
57.07068	0.9
65.03944	1.8
65.56387	0.5
67.05519	2.9
69.07076	3.9
71.05002	0.8
71.57496	0.7
79.05499	11.2
81.07059	3.4
83.05021	0.6
83.08617	1.4
85.06569	0.6
91.05487	20.3
93.07053	64.8
95.04982	2.7
95.08599	3.1
97.06539	0.8
97.10181	0.6
98.97591	1.6
103.05433	1.6
103.06057	0.5
105.04539	0.9
105.07047	6.6
107.04945	4.0
107.08603	67.0
109.06511	1.4
109.10156	1.5
116.98657	1.8
117.07030	1.1
119.04960	23.8
119.07874	0.5
119.08585	3.6
121.06529	4.7
121.10147	2.5
122.06855	0.7
123.08071	0.9
123.11719	0.9
131.08612	1.4
133.06564	0.7
133.10124	2.1
135.11703	52.2
137.09544	0.5
143.08548	0.9
145.06490	0.6
145.10136	1.7
147.04422	100.0
147.11687	0.6
148.04730	0.8
157.06595	0.7
157.10104	1.1
159.08081	1.2
159.11681	2.6
161.09660	1.1
165.05486	4.0
171.11662	0.6
173.09598	1.0
179.03374	0.7
183.08104	0.7
185.13383	0.6
189.16345	0.7
197.09587	1.1
199.14822	0.7
205.12309	2.3
211.11208	0.9
239.14192	0.6
249.18538	2.1
253.15900	2.5
267.12146	0.9
275.97980	0.9
284.11642	1.1
292.60785	0.6
295.08591	0.6
299.09708	1.1
299.14154	0.8
299.16464	6.9
299.20010	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	299.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.7
55.01867	5.8
55.05516	25.0
56.61081	2.8
57.03429	9.0
65.03924	6.1
67.05182	4.5
67.05511	65.1
69.03447	2.5
69.07069	18.8
69.13203	2.6
71.04983	6.5
73.06548	5.1
73.20074	2.7
79.05069	5.7
79.05503	81.3
81.01388	2.7
81.03413	6.4
81.07071	51.3
83.04997	21.0
83.08597	8.9
85.06522	3.6
91.05489	69.5
93.06467	5.5
93.07054	100.0
95.04973	24.5
95.08623	34.4
97.06538	5.9
97.10136	3.0
98.91765	2.5
98.97578	5.1
103.05466	6.3
105.04535	2.7
105.07032	49.7
107.04957	5.7
107.08609	29.1
109.06542	6.9
109.10158	9.4
111.08081	3.4
113.58038	2.5
117.07015	10.8
119.08587	34.1
121.06519	46.0
121.10125	9.6
123.03507	2.9
123.08076	5.7
123.11720	4.5
125.09608	4.2
129.07024	19.0
131.08540	4.3
133.10127	19.2
133.78500	2.8
135.08081	6.7
135.11739	6.1
137.05977	5.0
137.09645	5.7
143.08574	13.6
145.10138	15.1
147.08047	3.5
147.11705	60.2
156.09358	3.1
159.11758	3.5
161.09682	12.9
161.13246	10.6
163.11230	3.0
167.07076	4.0
170.53751	3.4
171.11702	40.2
189.12759	23.8
197.13220	2.8
207.13802	36.1
241.08748	4.6
281.17505	96.2
284.10391	5.5
299.05579	3.5
299.09308	3.2
299.12570	9.9
299.16183	3.4
299.19940	9.2
300.22379	2.9
306.37796	2.9
311.72055	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	299.2008
Annotation	CHEBI:68869
Peak:m/z	Relative Intensity
55.05507	1.3
56.96573	2.8
57.07059	1.9
67.05519	3.5
69.07084	3.5
69.52444	3.6
71.04988	1.0
79.05490	0.9
79.36082	0.5
81.07062	3.3
83.08621	1.2
85.06548	0.8
91.05480	3.9
93.07014	0.8
95.04943	0.8
95.08611	5.2
98.97586	2.1
104.78712	0.5
105.07034	3.7
107.08601	2.5
109.05027	0.5
109.10163	2.3
114.48111	0.6
116.06216	1.1
116.98595	0.6
117.07015	1.1
119.08578	3.0
121.10141	1.8
123.08057	1.0
123.11687	0.7
125.09654	0.7
128.06247	0.8
129.07037	1.0
130.07800	1.1
131.08594	11.1
133.10138	8.9
134.99629	0.5
135.11681	0.7
142.07762	0.9
143.08560	1.9
145.10130	6.0
147.11673	2.1
149.13295	0.7
155.08585	1.6
156.09346	2.9
157.10136	5.5
158.10962	0.6
159.10458	0.7
159.11696	3.8
168.35597	0.6
169.10114	2.1
170.10919	8.1
171.11694	9.3
173.09622	0.7
173.13342	1.9
175.14832	0.5
181.10239	0.6
182.10796	0.9
183.11702	3.8
184.12498	2.0
185.13281	23.7
187.14928	0.8
194.04298	0.6
195.11696	0.9
197.13289	3.9
198.14133	0.8
199.14789	2.5
209.13191	1.2
210.13782	0.7
211.14871	3.8
212.12050	0.9
212.15596	4.0
213.12859	1.3
213.16399	2.0
223.14917	0.9
225.12718	0.7
225.16333	1.0
226.17200	3.3
227.14299	1.8
227.17976	7.9
239.17978	1.9
240.16315	0.6
253.19466	2.2
255.17328	0.7
267.12122	0.7
270.33789	0.6
271.16873	0.6
275.97958	1.2
276.07068	0.8
281.18896	0.9
299.09473	1.9
299.20090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
56.96573	2.8
57.07059	1.9
67.05519	3.5
69.07084	3.5
69.52444	3.6
71.04988	1.0
79.05490	0.9
79.36082	0.5
81.07062	3.3
83.08621	1.2
85.06548	0.8
91.05480	3.9
93.07014	0.8
95.04943	0.8
95.08611	5.2
98.97586	2.1
104.78712	0.5
105.07034	3.7
107.08601	2.5
109.05027	0.5
109.10163	2.3
114.48111	0.6
116.06216	1.1
116.98595	0.6
117.07015	1.1
119.08578	3.0
121.10141	1.8
123.08057	1.0
123.11687	0.7
125.09654	0.7
128.06247	0.8
129.07037	1.0
130.07800	1.1
131.08594	11.1
133.10138	8.9
134.99629	0.5
135.11681	0.7
142.07762	0.9
143.08560	1.9
145.10130	6.0
147.11673	2.1
149.13295	0.7
155.08585	1.6
156.09346	2.9
157.10136	5.5
158.10962	0.6
159.10458	0.7
159.11696	3.8
168.35597	0.6
169.10114	2.1
170.10919	8.1
171.11694	9.3
173.09622	0.7
173.13342	1.9
175.14832	0.5
181.10239	0.6
182.10796	0.9
183.11702	3.8
184.12498	2.0
185.13281	23.7
187.14928	0.8
194.04298	0.6
195.11696	0.9
197.13289	3.9
198.14133	0.8
199.14789	2.5
209.13191	1.2
210.13782	0.7
211.14871	3.8
212.12050	0.9
212.15596	4.0
213.12859	1.3
213.16399	2.0
223.14917	0.9
225.12718	0.7
225.16333	1.0
226.17200	3.3
227.14299	1.8
227.17976	7.9
239.17978	1.9
240.16315	0.6
253.19466	2.2
255.17328	0.7
267.12122	0.7
270.33789	0.6
271.16873	0.6
275.97958	1.2
276.07068	0.8
281.18896	0.9
299.09473	1.9
299.20090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2584
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.03939	5.9
55.05514	58.5
56.96581	6.0
57.01751	5.0
57.07073	26.2
63.61760	5.6
65.17734	4.0
65.80518	4.4
67.05512	55.9
69.07075	100.0
71.04987	7.2
71.08629	16.0
71.57722	5.7
79.05484	25.2
81.07059	70.9
83.08636	76.0
85.06528	5.5
85.10168	5.4
91.05505	15.6
93.07047	33.3
95.08610	76.9
97.06530	9.4
97.10175	68.8
98.97616	6.1
104.92935	5.2
105.07032	18.8
107.08595	39.0
109.10171	30.9
111.08093	8.3
111.11030	4.9
111.11700	30.8
116.98692	6.6
117.07071	4.7
119.08594	22.2
121.10155	39.7
123.08117	6.6
123.11720	14.2
125.13280	10.6
131.08551	4.6
133.10135	28.1
135.11719	18.3
137.13214	4.8
139.11192	7.1
144.24052	4.6
145.10147	9.9
147.11678	16.9
149.13277	23.7
151.11174	7.3
157.10106	7.1
159.11807	7.2
161.13281	17.3
163.14822	15.8
165.12729	7.7
167.14426	5.6
171.11684	6.9
175.14886	14.0
179.14409	6.0
189.16396	10.2
195.39856	4.9
196.04260	6.8
200.63985	5.0
245.22678	30.5
253.19615	7.3
263.23709	46.7
267.12100	5.6
281.24872	19.0
299.05508	6.9
299.14954	6.2
299.20035	19.8
299.23355	7.3
299.27371	15.3
324.16779	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	299.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05517	10.0
57.07076	3.6
64.53790	0.6
65.03955	0.6
65.55385	0.6
65.89690	0.6
67.05173	1.0
67.05505	15.9
69.07072	16.9
69.85053	1.9
71.08619	0.9
79.05499	6.3
81.07062	24.7
83.08616	6.7
91.05483	5.9
93.07053	14.2
95.08611	49.5
97.10178	4.9
98.97531	0.6
105.07035	16.2
107.08604	19.6
109.10159	25.4
111.11722	1.8
115.47510	0.5
117.07021	0.7
119.08588	17.6
121.10152	18.1
123.11716	12.5
131.08533	3.7
133.10133	13.3
135.11708	11.3
137.13274	7.4
145.10147	5.3
147.11685	19.1
149.13277	10.4
151.14844	1.4
157.10106	0.8
159.11684	4.8
161.13266	19.1
161.14606	1.0
163.14822	7.2
173.13269	3.8
175.14841	8.6
177.16359	7.5
183.11722	0.9
187.14844	3.4
189.16386	12.8
191.17961	9.3
197.13226	0.6
201.16385	7.6
203.17970	13.8
203.19746	1.0
205.19504	1.0
215.17963	7.9
217.19499	8.5
229.19547	5.7
243.21144	4.8
253.19585	0.9
257.22629	2.6
281.22391	0.8
299.20111	2.2
299.27341	100.0
300.27661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1232
Annotation	2,3,9,10-Tetrahydroxyberbine
Peak:m/z	Relative Intensity
53.03936	1.3
68.16158	0.7
71.04964	0.8
71.57552	1.1
71.57973	0.7
79.05463	2.8
83.04953	0.7
83.20284	0.7
85.02869	0.6
86.99047	0.9
91.05479	4.1
93.07019	2.0
94.07364	1.8
95.04988	1.8
95.08571	1.6
96.08941	1.1
99.02676	2.1
100.02982	0.8
103.05447	1.0
104.04976	1.1
105.04500	1.2
107.04961	70.4
107.08595	1.1
117.05769	1.2
118.06557	1.3
119.04914	2.8
120.04456	1.5
121.06524	4.7
121.10227	0.8
122.06806	1.1
127.02101	0.7
129.22218	0.8
131.04909	1.2
132.03465	0.8
132.04460	13.5
133.04286	1.3
133.05240	16.7
134.06078	1.0
135.11693	0.9
136.12019	2.2
139.06322	0.7
145.05231	1.2
146.06024	4.2
148.07587	3.6
149.05974	1.4
151.07533	0.9
158.06004	0.9
160.03938	1.8
161.04752	7.5
162.05469	0.7
163.10844	0.6
164.11557	1.3
174.05547	2.2
175.06277	5.9
176.07086	39.1
177.99490	0.7
181.08681	0.9
183.06747	0.8
188.07065	1.4
194.07996	0.8
195.08087	0.9
196.07568	3.1
197.08286	1.1
198.09142	1.4
204.08147	1.0
206.08115	13.8
206.12560	3.1
209.08267	1.3
210.09142	3.5
211.06204	0.9
211.09885	1.5
222.09178	5.9
223.09935	1.7
224.07074	1.9
224.10756	1.0
225.07707	3.3
226.08644	2.1
236.06992	1.1
238.08598	4.4
239.09431	4.5
240.06580	1.8
240.10114	3.9
242.63123	0.7
249.07785	1.3
250.08717	3.8
251.09473	4.5
252.06619	2.6
252.10205	2.4
254.08051	1.7
254.11707	4.2
255.08932	2.0
258.11111	0.8
264.10178	1.4
266.08142	3.4
267.08914	24.8
268.09619	1.6
269.10370	0.9
272.12823	0.6
282.11264	100.0
283.11414	0.7
300.12320	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	301.0701
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01856	0.1
56.96561	0.2
68.99778	0.1
69.03410	0.1
69.07040	0.1
70.97023	0.2
82.59439	0.1
85.02885	0.1
86.09700	0.5
91.05459	0.3
93.07020	0.1
97.02871	0.2
98.97578	0.6
103.05437	0.1
105.06970	0.1
107.04919	0.1
110.97514	0.1
111.04454	0.1
111.43711	0.1
115.05374	0.1
116.98594	0.2
117.03462	0.1
119.04940	0.4
121.02882	0.1
121.06482	0.2
122.03621	0.1
125.05995	0.1
127.00713	0.1
128.06227	0.2
128.98622	0.1
129.06982	0.1
131.04953	0.2
135.08063	0.1
137.05992	0.9
147.04404	1.1
149.05962	0.4
152.06206	0.4
153.01828	1.0
153.05457	0.3
153.06969	0.5
155.08481	0.1
157.06523	0.2
158.99637	0.2
161.05942	0.2
163.03877	0.3
163.07628	0.1
165.07019	0.2
169.06429	0.1
170.07286	0.1
171.08025	0.2
174.06705	0.1
177.00705	0.1
177.05440	0.1
177.09077	0.3
180.05737	0.1
181.05011	0.2
181.06483	1.6
182.07303	0.1
183.07936	0.1
184.05087	0.1
185.05939	0.1
187.07487	0.1
189.09088	0.3
195.08090	0.2
197.05972	0.2
198.06735	0.3
199.07549	0.4
203.03525	0.1
204.05354	0.1
209.05966	1.5
211.07468	0.2
212.04593	0.2
213.05576	0.2
213.09064	0.3
219.01752	0.2
223.07530	0.1
226.06273	0.4
227.07008	0.8
229.04942	1.6
230.05780	0.2
235.61555	0.1
237.02843	0.3
237.05467	1.2
240.07654	0.1
241.08652	0.4
243.06644	0.1
245.08144	0.1
251.07074	0.1
255.06548	2.6
257.04474	0.6
258.05237	36.7
259.05609	0.3
269.08185	0.2
271.05884	0.2
273.07556	0.7
280.07767	0.9
280.57941	0.2
283.06003	0.8
286.04718	49.8
287.05026	0.5
301.07068	100.0
302.07376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1282
Annotation	Salidroside
Peak:m/z	Relative Intensity
53.03952	3.4
55.01871	4.2
55.05522	1.3
57.03430	5.6
61.02929	12.0
68.20834	1.5
69.03428	19.1
70.61143	2.4
70.61510	2.8
71.01366	2.2
71.04984	1.7
73.02921	5.5
81.02988	1.6
81.03400	7.5
84.51939	1.2
85.02909	100.0
85.33407	1.3
87.04478	3.1
91.03970	7.1
91.05482	9.6
93.07053	8.2
95.04980	2.5
97.02898	23.5
98.21409	1.6
99.04485	4.0
103.00498	1.3
103.03946	6.1
103.05479	5.7
105.07047	2.7
109.02884	8.9
115.05450	4.0
117.07031	9.6
121.06517	91.0
127.03933	19.0
128.06244	3.1
129.06985	5.5
131.04909	1.7
131.08597	9.5
133.06512	3.7
135.08073	3.9
140.07101	1.8
141.06989	9.9
144.05724	5.8
145.04979	30.2
145.06485	12.3
149.05988	1.5
151.07567	7.1
153.06996	1.7
155.08516	2.6
157.06514	12.0
158.07355	2.5
159.08076	24.7
161.05930	1.4
163.06070	4.3
163.07581	7.6
165.06876	1.8
169.06505	4.1
171.08052	4.7
175.07555	20.3
177.87581	1.5
179.07101	8.3
183.08049	6.3
185.06026	6.7
187.05864	3.5
187.07545	58.7
189.09128	4.3
199.07568	3.5
201.09148	5.5
203.07027	2.3
205.08611	23.2
211.07582	3.9
216.99823	1.3
217.08662	7.3
224.38020	1.3
229.08572	11.7
235.09743	6.3
247.09721	11.3
258.05203	2.0
265.10837	2.7
286.04691	3.5
301.07068	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	301.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
54.91407	1.2
55.01865	4.9
57.03440	8.0
61.02927	13.5
69.03436	25.7
69.78763	6.4
71.01356	3.5
71.04993	3.1
73.02913	6.7
81.03423	8.0
83.56421	1.5
85.02914	100.0
85.06546	1.7
87.04482	1.8
88.80432	1.3
91.03960	6.9
91.05466	9.8
93.07044	6.7
95.04988	2.1
97.02895	21.3
99.04462	4.4
103.03954	4.9
103.05486	6.0
105.07012	2.8
109.02914	10.3
115.05464	4.7
116.06239	1.9
116.22255	1.2
117.07022	8.3
119.06284	1.2
121.06519	86.3
127.03936	19.7
128.06210	4.3
129.07011	7.5
131.04941	2.8
131.08574	10.8
133.06487	3.8
135.08105	3.1
141.07037	8.2
144.05696	5.5
145.04976	34.4
145.06487	12.4
147.08000	1.9
149.05946	1.7
151.07556	6.8
155.06227	1.3
155.08585	3.5
157.06506	11.4
158.07245	2.3
159.08063	22.6
161.05959	3.8
163.06041	5.2
163.07576	5.8
165.05550	1.3
168.00459	1.6
169.06517	4.8
171.08055	3.5
175.07582	18.5
179.07034	11.4
183.08093	6.4
185.06010	4.2
187.07570	62.8
189.09138	3.7
199.07510	3.0
201.09137	6.1
203.07051	3.0
205.08615	24.5
211.07542	2.0
217.08556	8.2
229.08601	12.5
235.09697	8.9
247.09674	14.7
263.43979	1.3
265.10687	2.7
274.23151	1.2
286.04697	5.5
301.07169	7.1
301.12683	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1435
Annotation	Callosumin
Peak:m/z	Relative Intensity
51.39070	0.4
53.03957	1.2
58.88604	0.5
64.76527	0.5
65.03944	1.0
67.05518	0.9
69.03429	2.3
69.78889	1.9
70.06591	1.2
71.04990	0.6
79.05505	1.1
91.05489	8.8
93.01109	0.7
93.07061	1.4
94.04179	1.2
95.04989	1.0
97.02901	0.6
103.05481	8.5
103.52530	0.6
105.07057	2.0
107.04977	1.9
109.06551	1.2
112.07624	0.8
115.05429	2.4
117.07021	2.7
119.04960	1.1
119.08591	0.6
121.06512	11.9
122.03673	4.1
131.04942	17.8
133.06497	2.0
133.10112	0.5
137.05989	72.8
138.06342	0.7
142.65700	0.5
145.06485	1.5
146.07280	4.9
147.04417	0.9
147.08072	4.1
149.06029	1.1
149.09642	2.1
151.07556	37.0
153.06989	1.7
155.08572	0.6
157.06531	0.8
161.05969	2.2
162.06750	3.4
163.07559	26.7
165.05447	1.5
165.06996	2.4
165.09061	0.9
168.05757	0.5
169.06480	1.1
170.07294	0.7
177.09122	100.0
179.07024	1.6
181.06496	2.5
183.07950	0.6
185.06151	0.6
187.07576	0.7
197.06090	1.1
198.06779	2.2
203.07037	0.9
209.06075	0.7
211.07443	0.9
213.09076	1.2
221.08127	1.0
223.07497	0.9
226.06262	1.6
227.07025	0.7
239.06996	0.6
241.08582	2.3
247.09676	1.1
251.07043	0.8
258.05298	0.9
269.07843	0.8
274.24445	0.6
286.04810	4.1
286.07803	0.9
301.07028	5.4
301.10660	13.0
301.14291	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	301.2164
Annotation	3,11-Dioxo-labda-8(17),13(16),14-triene
Peak:m/z	Relative Intensity
50.31038	1.2
53.03945	2.0
55.01869	2.2
55.05511	11.4
56.96556	1.6
67.05509	50.0
68.36699	1.2
69.03432	2.8
69.07073	22.6
71.04984	5.8
79.05492	7.3
81.03397	1.5
81.07060	27.5
83.04984	1.5
83.08614	3.9
85.06525	3.6
91.05479	14.0
93.07053	20.2
95.04980	21.9
95.08611	17.6
97.06529	5.6
98.86096	1.4
104.20092	1.4
105.07048	14.1
107.04994	1.4
107.08604	36.9
109.06530	17.7
109.10164	78.0
111.08105	1.5
113.09639	4.0
117.07034	3.5
119.08588	59.0
121.06519	7.4
121.10154	13.6
122.07276	4.7
123.07220	1.9
123.08083	20.7
123.11712	3.3
124.00523	1.3
124.28455	1.4
127.11178	1.9
129.07053	1.6
131.08571	4.7
133.10144	12.2
135.08061	28.1
135.11700	6.1
137.09624	56.8
143.08577	4.2
145.10138	9.7
147.08118	2.7
147.11688	4.9
148.08888	2.4
149.09634	7.7
149.13370	1.7
151.07529	3.0
155.08566	2.2
157.10136	6.2
158.22696	1.6
159.11703	3.4
161.09639	12.7
161.13263	4.4
163.11205	5.3
165.09155	2.1
165.12796	6.7
167.08525	1.8
168.00554	3.9
171.11693	5.7
173.13271	5.6
175.11185	2.9
175.14801	3.9
177.12852	1.6
181.12251	2.7
183.11699	1.9
185.13266	3.4
186.01634	2.3
187.11317	1.7
187.14868	2.5
189.12672	1.6
191.14323	83.6
193.12314	1.6
193.15889	1.7
195.11678	1.8
197.13245	3.4
199.11322	1.7
199.14836	2.1
205.15816	6.8
207.13818	3.4
209.13321	1.9
213.12842	2.7
215.14256	1.6
217.15814	3.8
221.15422	10.1
221.17207	1.7
225.16399	2.5
227.14423	2.4
241.16043	1.8
243.17328	1.7
255.21167	2.6
258.05264	4.7
265.19467	2.9
273.22141	1.7
283.20642	12.2
285.03879	6.9
286.04749	48.6
291.89624	1.4
301.07080	57.3
301.21640	100.0
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	3,11-Dioxo-labda-8(17),13(16),14-triene
Peak:m/z	Relative Intensity
52.12420	1.3
55.01857	2.8
55.05515	8.9
55.92618	1.2
57.07062	1.6
59.05001	1.8
61.35500	1.2
65.03928	1.4
67.05506	40.8
69.03416	2.8
69.06778	1.3
69.07074	14.2
70.08511	1.2
71.04982	3.6
71.57085	1.5
72.97925	1.4
73.85876	1.2
79.05492	6.2
81.07053	20.7
83.08624	2.3
85.06544	2.5
91.05482	10.8
93.07043	15.3
95.04972	18.8
95.08614	16.9
97.06536	3.6
105.07040	9.3
107.08599	29.1
109.06538	12.0
109.10162	66.9
111.08069	2.1
117.07014	3.4
119.08588	50.5
121.06506	6.6
121.10139	8.6
122.07288	3.7
123.08083	15.0
123.11736	1.7
128.06279	2.1
129.07040	1.7
131.08586	4.4
133.10107	8.7
135.08058	25.8
135.11684	4.4
137.09622	54.1
142.46455	1.2
143.08560	4.6
145.10185	7.9
147.08147	2.1
147.11693	4.1
148.08833	1.6
149.09637	5.9
149.13251	1.5
157.10117	2.5
159.11700	4.3
161.09641	6.7
161.13275	2.6
162.10139	1.2
163.11200	3.1
165.09207	2.6
165.12796	6.3
168.00558	4.5
169.10127	2.1
171.11725	2.3
173.09644	2.3
173.13286	4.9
175.11137	1.6
175.14841	1.8
176.12033	2.2
181.12245	2.1
183.11697	1.9
185.13310	2.4
186.01581	3.1
191.14322	74.8
197.13306	2.3
199.14847	2.8
203.14258	1.7
205.15927	8.1
207.13750	3.3
207.15747	1.3
213.12721	3.2
217.15910	3.6
219.17456	1.4
221.15411	5.0
225.16449	3.5
227.14307	2.7
255.21286	1.3
258.05350	3.9
265.19696	1.7
265.23007	1.2
283.20551	8.6
283.23450	1.5
285.03995	5.5
286.04721	38.3
287.05313	1.8
301.07083	52.3
301.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05555	1.1
52.85763	1.2
53.03941	1.4
54.83085	1.2
55.05515	12.1
56.96556	6.1
57.03421	1.5
57.07095	3.1
60.02448	1.3
60.38238	1.4
65.03932	1.7
67.05508	45.4
69.03430	2.2
69.07072	21.6
71.04988	8.7
71.18071	3.3
79.05502	9.6
81.07059	47.4
83.08611	7.8
85.02915	1.4
85.06534	4.5
88.00803	1.1
88.02747	1.2
91.05483	4.4
93.07044	16.7
95.04961	2.1
95.08611	100.0
97.06544	1.9
97.10170	5.7
98.97592	6.4
99.08088	3.1
105.07024	3.6
107.08601	10.9
109.10162	21.2
111.11711	1.7
113.09652	36.1
116.98597	2.7
118.04167	2.0
119.08581	4.1
121.06509	3.2
121.10165	11.9
123.11710	9.7
125.13256	1.7
131.08565	1.5
133.10150	2.6
135.11690	7.1
137.13277	5.0
145.10123	2.2
147.11699	1.7
149.13237	3.8
151.14835	1.9
163.14812	3.4
168.00569	6.8
171.11740	2.3
173.13179	1.8
177.05399	1.6
177.16365	2.7
186.01601	3.0
191.17961	2.1
209.13106	1.3
247.24208	5.4
258.05185	8.1
265.25217	8.2
283.26425	3.7
285.04001	8.3
286.04749	58.2
296.08838	1.8
301.07077	77.6
301.14200	4.8
301.17926	5.6
301.21588	6.6
301.25037	2.6
301.29303	4.4
302.07639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0873
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
52.87430	0.2
53.03941	0.4
55.01878	0.4
55.05484	0.2
55.26612	0.2
56.96551	0.4
57.03433	0.7
61.02932	1.6
69.03436	3.3
70.06580	0.8
70.98786	0.4
71.04996	0.6
72.08160	0.4
73.02908	0.7
78.03481	0.9
81.03436	1.2
82.99022	0.2
84.08131	0.3
85.02911	8.4
86.09713	0.2
87.04464	0.5
91.03960	0.6
97.02895	2.7
98.97623	1.2
99.04443	0.4
109.02876	0.8
112.07614	0.3
112.99087	0.2
116.98623	0.2
121.06511	0.3
122.02399	7.2
122.06068	0.2
125.01706	0.2
127.03933	1.7
134.65331	0.2
137.06004	0.3
140.03435	100.0
145.04939	1.7
155.04620	0.2
158.99698	0.3
163.03929	0.3
177.00705	0.2
211.05472	0.7
212.06221	0.5
219.01794	0.4
235.16638	0.4
287.05038	0.3
302.08850	3.4
302.12115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	0.5
55.05530	0.4
55.09528	0.4
56.96589	1.0
61.02958	0.5
65.03969	0.6
69.03458	1.0
70.06615	1.2
70.37522	0.8
70.37892	0.5
70.83031	0.4
72.08178	1.4
73.02949	0.5
82.05363	0.4
83.06126	1.5
84.04543	0.3
85.02914	2.9
86.03255	0.7
86.09721	2.2
91.05492	9.6
93.04560	1.0
93.07088	0.7
95.06104	2.1
97.02919	0.9
98.97622	1.2
100.82845	0.3
103.05454	0.5
109.02876	0.4
110.07174	46.2
112.08688	0.5
116.07130	0.9
116.98660	0.4
118.13203	0.3
119.04955	25.3
121.06519	3.6
122.06853	1.4
126.07472	0.3
127.03962	0.7
135.08005	0.4
137.05983	1.1
138.06647	1.1
140.03397	1.6
147.04419	100.0
156.07701	60.0
156.08728	1.0
158.06772	0.4
158.99623	0.5
166.07159	0.3
171.07619	0.6
172.07936	0.7
185.16447	1.2
187.04333	0.8
188.07843	1.2
211.07237	0.4
213.15938	0.7
219.01833	0.6
237.02792	0.4
256.10797	2.0
270.15225	0.7
284.10342	1.7
287.04865	1.5
302.07352	2.0
302.11240	18.3
302.17661	1.9
302.20795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24043	0.1
52.87066	0.1
56.96555	0.4
57.02315	0.1
57.07034	0.1
63.02368	0.2
65.03941	1.1
67.05497	0.2
71.56731	0.2
74.06082	0.4
76.99731	0.2
79.05502	0.2
87.48722	0.1
88.07628	1.3
89.03880	0.1
89.76418	0.1
90.74571	0.1
91.05486	100.0
92.05808	0.6
95.08608	0.2
98.97601	0.3
106.08663	0.2
109.10200	0.2
116.11079	0.1
121.06509	0.2
132.04474	0.4
146.05981	0.3
224.10710	0.7
229.59061	0.1
242.24878	0.3
279.09195	0.1
279.12570	0.2
286.04718	0.1
287.05115	0.8
302.07394	0.9
302.14423	0.2
302.21539	0.2
302.26974	2.1
302.30423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01865	1.1
57.03425	2.3
61.02915	2.4
65.03958	1.1
67.05508	25.3
69.03077	1.1
69.03432	15.6
69.07072	6.3
70.03797	0.6
70.06593	11.0
70.24178	2.5
71.05002	1.2
73.02908	1.7
81.03413	5.5
81.27776	0.6
84.08145	1.7
85.02907	34.7
86.09715	3.0
94.06579	1.0
95.04970	45.4
96.08175	0.6
97.02899	30.0
99.04452	1.7
101.73768	0.8
103.03929	3.4
109.02217	0.9
109.02892	7.6
112.07607	39.0
113.06008	2.9
121.06450	1.5
122.06026	2.0
122.06841	1.4
123.04469	1.4
124.07611	2.2
127.03918	8.3
136.07570	2.0
137.05986	1.9
140.07069	100.0
145.04922	3.7
150.09189	1.1
154.08635	5.7
158.08109	1.8
164.07109	1.2
175.55049	0.6
176.07991	1.0
178.08652	2.7
182.08131	55.5
188.07957	1.1
199.17906	0.9
200.16441	1.2
206.08121	12.8
218.08093	1.9
236.09248	2.2
248.09172	9.0
266.10300	1.5
284.11374	0.8
287.04929	0.7
302.07520	1.5
302.11935	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
56.96564	0.3
57.03432	0.5
59.79277	0.3
66.92121	0.3
69.03427	2.1
69.46298	1.0
69.46728	1.9
70.06595	100.0
71.04988	0.4
73.02931	0.4
81.03432	2.7
85.02898	3.0
91.05498	0.5
96.27383	0.3
97.02890	0.8
98.97601	0.8
99.04462	1.1
109.02874	3.1
110.40560	0.4
112.07610	74.3
116.07093	2.4
121.06508	0.4
127.03927	3.7
137.02380	0.3
137.05968	1.5
140.07071	25.2
147.04408	0.4
158.08133	14.2
163.03900	0.3
211.12141	0.3
212.09270	2.1
220.36203	0.4
224.77222	0.4
228.06757	0.4
230.10245	2.0
266.10385	0.8
284.11337	3.1
302.07242	0.8
302.11441	2.7
303.05011	6.2
317.37039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95018	5.7
55.05507	24.1
56.96563	14.9
57.07081	10.4
67.05507	64.1
69.07061	23.5
71.58053	5.5
73.70110	5.1
79.05497	35.9
81.07063	85.4
83.08616	19.4
84.96021	5.0
85.06564	5.1
88.07624	15.1
91.05487	20.7
93.07040	54.9
93.40248	5.3
94.70861	5.2
95.08611	100.0
97.02879	5.8
97.06532	10.5
97.10163	6.1
98.97577	18.9
99.08068	6.5
103.05450	5.2
105.07057	29.0
107.08604	28.3
109.06590	6.4
109.10162	54.8
111.08094	8.8
112.99142	5.9
113.09669	9.9
116.98616	11.1
119.08584	14.2
121.06493	26.4
121.10148	75.8
123.08054	5.6
123.11710	13.8
125.09616	6.0
131.08588	37.7
133.10130	13.5
135.11690	20.3
138.88115	6.1
139.11223	8.6
143.08545	6.2
145.10132	22.3
147.11697	12.7
151.11293	6.2
181.37079	4.8
189.11305	14.1
189.16429	5.2
203.17984	20.2
209.86549	6.8
213.16383	21.9
219.01787	7.5
221.19063	41.6
231.17412	39.6
249.18498	95.4
267.19589	71.0
279.03830	7.0
286.04443	9.4
287.05057	49.2
302.07346	60.0
302.13727	8.8
302.18033	5.1
302.27109	10.2
302.30328	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	303.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.6
71.27596	0.4
81.96246	0.2
82.99868	0.4
92.07438	0.2
98.97009	0.3
98.97594	4.0
99.97907	0.4
101.00896	2.7
101.84574	0.2
116.98643	2.2
119.01931	4.5
134.99738	0.7
137.03008	0.4
140.98824	0.5
141.18561	0.2
158.99887	1.6
177.00964	9.6
178.01062	0.3
179.00732	0.4
182.99883	1.0
199.03026	0.2
201.00938	2.7
203.00714	0.4
210.96361	0.2
217.04109	2.4
218.03853	0.2
219.02023	18.0
220.02158	1.0
221.01831	1.2
225.00865	2.4
235.00002	0.2
238.95544	0.2
240.98871	0.2
243.01987	12.1
244.02202	0.6
256.96661	0.7
259.00119	0.3
261.03067	100.0
262.00027	0.6
262.03162	5.2
263.03421	0.5
266.03387	0.3
274.97427	0.2
277.01007	0.2
279.00616	2.0
279.05997	0.3
279.98038	0.7
280.01031	0.4
283.00098	0.7
284.04617	2.1
284.99857	2.3
285.02887	0.3
301.00967	0.6
302.01505	0.2
302.97385	0.4
303.00827	2.4
303.04291	2.9
320.97855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.1
55.01875	0.3
57.03435	0.1
61.00153	0.1
61.57602	0.1
64.89439	0.1
65.03945	0.5
67.01869	0.3
67.05501	0.4
68.99436	0.1
68.99790	1.8
69.03413	0.3
69.52013	0.5
70.06584	0.1
71.01350	0.1
71.06934	0.1
79.05470	0.1
81.03416	0.7
81.07034	0.1
87.01750	0.1
91.05471	0.2
93.03426	0.7
93.07031	0.2
94.04170	0.1
95.04964	0.7
95.08628	0.1
97.02917	0.1
98.97623	0.1
103.05460	0.1
105.03398	0.2
105.07038	0.1
107.01362	0.1
107.04965	0.2
107.08601	0.1
108.87064	0.1
109.02885	1.1
109.10202	0.2
111.00036	0.1
111.00803	1.7
111.04423	0.1
115.05452	0.2
117.07011	0.3
119.04961	0.2
121.02876	2.1
121.06473	0.1
123.04453	0.6
127.03918	0.5
128.06227	0.1
131.04919	0.3
133.02843	0.1
133.06540	0.1
135.04404	0.5
137.02347	6.7
137.03400	0.4
137.05965	0.7
139.03964	0.1
142.21974	0.1
143.04886	0.1
145.02850	0.2
145.06485	0.6
147.04404	0.1
149.02345	0.7
151.03877	0.1
152.23285	0.1
153.01833	9.4
155.04926	1.0
155.06058	0.1
157.06458	0.2
159.04408	0.2
161.05997	0.6
163.03917	1.2
165.01840	3.3
166.02655	0.5
167.03397	0.1
171.02983	0.1
173.02336	0.1
173.05986	1.2
177.01845	0.2
177.05429	0.2
178.54099	0.1
179.03311	0.3
183.02892	1.5
183.04449	0.8
183.08018	0.1
185.05981	0.1
187.03918	0.8
189.05429	0.1
191.03381	0.4
191.07005	0.3
194.02205	0.1
195.02904	0.4
199.48100	0.1
201.05472	4.0
205.04964	0.5
207.02873	0.3
211.03944	0.4
213.05428	0.2
215.03392	0.2
219.02899	0.2
219.06563	0.7
228.04202	0.6
229.04970	8.6
230.05374	0.1
232.03755	0.2
239.03479	0.4
243.02852	0.1
245.04527	0.1
246.05309	0.1
247.06030	1.3
256.03665	0.1
257.04456	4.7
258.05261	0.2
261.03967	0.1
271.09641	0.1
274.04733	1.2
275.05426	0.2
285.03961	2.3
286.04767	0.1
302.04422	0.1
303.04993	100.0
304.05371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03947	0.2
55.01863	0.4
56.56396	0.1
62.13188	0.1
65.03938	0.5
67.01859	0.5
67.05493	0.2
68.99790	2.0
69.89554	0.3
69.89968	0.3
81.03435	0.6
88.94209	0.1
91.05489	0.3
93.03422	0.6
93.07024	0.2
95.04982	0.7
98.21487	0.1
103.05437	0.2
105.03366	0.2
107.04958	0.3
109.02867	0.8
111.00806	2.0
115.05453	0.2
117.06990	0.2
119.04939	0.2
121.02874	2.0
121.06557	0.7
122.06860	0.4
123.04444	0.7
127.03898	0.4
129.06953	0.1
131.04968	0.4
133.02849	0.2
133.06496	0.2
135.04408	0.4
137.02350	6.7
137.03404	0.5
137.55791	0.1
143.04926	0.1
145.02866	0.2
145.06448	0.7
147.04434	0.2
149.02362	0.9
149.05957	0.1
153.01836	8.9
155.03786	0.1
155.04892	0.8
157.06549	0.1
159.04413	0.2
161.06009	0.6
162.22726	0.1
163.03923	1.1
163.07008	0.1
165.01846	3.2
166.02623	0.5
173.02135	0.1
173.06020	1.1
177.01810	0.2
177.05476	0.2
179.03386	0.4
183.02895	1.4
183.04456	0.8
184.05188	0.1
187.03928	0.9
191.03380	0.2
195.02901	0.5
201.05487	4.2
205.05032	0.3
207.02879	0.2
211.03967	0.3
213.05438	0.3
219.02956	0.3
219.06569	0.6
228.04184	0.5
229.04979	8.9
239.03423	0.4
245.04396	0.2
246.05229	0.2
247.06059	1.1
257.01749	0.2
257.04459	4.6
274.04782	1.4
275.05511	0.3
285.03949	2.2
286.04724	0.2
302.66031	0.1
303.05005	100.0
304.05347	0.9
311.77429	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.47446	0.3
56.05029	0.3
58.09239	0.3
61.00151	0.2
63.89392	0.2
65.03926	0.6
67.05520	0.3
68.99787	1.1
69.03423	0.5
69.89285	0.3
70.06594	0.5
70.40348	0.8
71.04974	0.3
74.06068	0.7
79.05463	0.2
81.03409	0.5
81.07068	0.6
84.08138	1.2
85.02871	0.4
91.05476	0.4
93.07029	0.4
95.04955	0.9
97.02873	0.5
98.20939	0.5
98.21449	0.3
98.97563	0.5
105.07013	0.3
109.02866	0.8
109.10093	0.4
111.00802	1.4
116.07083	0.8
116.86746	0.2
117.07008	0.4
120.06583	0.3
121.02863	2.3
121.06519	1.3
123.04446	0.6
127.03883	0.3
131.04991	0.3
135.04454	0.4
137.02350	6.2
137.03389	0.7
137.05954	0.4
142.88953	0.3
145.06482	0.4
147.04408	0.4
149.02446	0.6
151.11191	0.7
153.01831	8.7
155.04919	0.7
161.05986	0.5
163.03865	1.3
165.01860	3.6
166.02713	0.2
173.06116	1.3
180.71068	0.2
183.02888	1.2
183.04460	0.7
187.03947	1.0
191.03635	0.3
195.02933	0.5
201.05469	4.1
205.05020	0.4
211.03967	0.4
213.05724	0.2
219.06433	0.5
228.04156	0.7
229.04984	8.4
239.03365	0.3
245.04355	0.4
247.06010	1.5
257.04462	5.4
257.07074	0.5
274.04703	1.3
275.05496	0.4
284.90146	0.3
285.03934	2.6
297.74237	0.2
303.05005	100.0
304.05365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38393	6.1
53.49257	5.7
66.95688	5.7
70.07690	32.3
84.64119	5.9
85.02900	11.8
121.72698	5.7
198.98541	10.3
206.07068	6.6
213.00116	6.4
221.33235	6.7
234.33815	6.3
303.03168	58.8
303.08444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92548	2.5
52.16832	2.4
52.60534	2.5
53.03938	7.2
55.01864	5.0
55.05497	3.1
56.96286	3.8
56.96566	43.0
57.03450	13.4
57.07071	3.2
61.02916	12.0
67.05495	8.6
69.03436	33.6
69.48711	11.5
69.49131	8.5
70.06585	12.4
71.04983	4.8
73.02903	10.7
74.97592	3.0
79.05477	4.2
81.03429	10.2
81.07053	7.3
83.04981	5.8
84.04509	4.9
84.08140	9.7
84.96036	5.5
85.02912	53.1
87.04471	9.1
87.67708	2.7
91.03938	3.4
91.05484	13.0
93.07052	13.1
95.04970	7.5
95.08614	6.6
97.02889	26.6
97.06501	4.9
98.37936	3.3
98.97592	100.0
99.04453	7.3
101.00843	5.8
101.05924	2.6
103.05480	8.5
105.07014	7.6
107.04961	5.4
107.08593	3.3
109.02869	9.6
110.07157	4.9
110.97589	13.1
111.04441	5.8
112.99141	7.1
115.13626	3.0
116.07091	5.6
116.98636	33.8
119.01886	8.8
119.04974	3.6
120.02576	4.0
121.02903	4.3
121.06514	76.8
122.06827	11.1
123.04439	3.1
123.08054	5.3
123.11727	4.1
124.95728	3.5
124.99132	4.6
125.01839	2.8
127.03944	17.1
128.98610	10.5
129.02232	3.6
129.03116	4.8
130.08641	3.4
131.00185	7.4
131.01898	4.1
131.05432	9.0
134.99693	9.2
135.04358	3.4
136.06172	3.3
136.99039	2.6
137.05969	16.6
138.05344	2.7
140.03409	10.2
140.95164	3.0
140.98587	3.7
141.03763	10.7
141.05428	4.1
141.09143	3.8
143.00182	9.5
143.01859	5.5
145.01706	7.1
145.03384	4.1
145.04980	9.7
146.99615	4.1
147.03256	3.4
147.04344	4.4
148.04817	2.8
149.01251	2.8
155.00136	3.9
156.97461	5.6
157.03470	8.8
158.99657	39.0
159.03255	4.4
159.04881	2.7
161.01239	4.9
161.03001	6.4
161.04770	6.2
162.03534	3.5
163.03926	15.7
165.05492	20.7
170.04301	3.6
170.99690	8.0
173.01196	3.7
173.04933	4.3
173.43739	2.8
174.98643	3.3
175.02684	3.1
175.04517	6.7
177.00742	28.6
177.14314	2.7
179.04646	6.0
180.97636	4.1
182.96342	3.4
185.02867	3.4
185.09210	3.4
187.02827	3.1
189.00781	7.5
191.02275	3.2
192.04616	7.1
194.06999	7.3
198.98535	11.2
199.06485	8.8
201.00673	7.6
203.02235	5.1
203.03941	4.4
203.07556	25.3
203.57697	5.4
207.01926	3.1
211.07430	3.5
212.08052	69.5
212.58246	8.9
213.00253	4.4
213.04131	8.8
217.07513	15.9
219.01802	23.0
220.06389	3.0
221.03818	9.1
221.08597	4.7
221.58865	3.1
222.09106	3.5
223.06660	4.7
231.08855	3.6
232.59315	4.0
237.02715	13.6
239.04320	3.8
243.09013	6.2
260.07611	2.9
261.03012	3.7
261.09863	4.6
261.12207	3.8
303.03217	38.5
303.07867	9.2
303.10440	16.9
321.08746	5.0
321.12125	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	303.0864
Annotation	6-Hydroxy-1,2,5-trimethoxyxanthone
Peak:m/z	Relative Intensity
53.00309	0.5
53.03946	0.5
56.96563	0.3
67.05519	0.6
69.03450	2.9
69.27519	2.7
69.27930	0.8
69.28194	0.3
70.06596	0.7
78.55299	0.3
79.05484	0.8
81.03439	0.5
81.07068	1.3
83.55151	0.4
90.16679	0.3
91.05476	2.5
92.00260	0.3
93.07067	0.7
94.04204	0.4
95.08608	0.6
97.02901	37.0
98.21478	0.5
102.04681	0.6
103.05497	2.7
105.07033	0.9
106.91267	0.3
107.04939	0.6
110.44425	0.4
111.00803	1.0
112.07610	0.5
113.07955	0.4
115.05466	3.7
117.07044	0.9
118.04179	0.6
119.04963	0.7
120.05659	0.4
121.06525	1.3
122.03659	1.4
123.11721	0.8
127.03985	0.4
128.06236	0.6
130.04143	1.0
131.04950	3.1
133.06474	0.6
135.07997	0.4
137.05991	17.2
141.07028	0.8
143.04950	0.8
144.05701	1.6
145.02930	0.4
145.06462	2.3
146.03647	1.2
147.04427	1.0
148.05174	2.1
151.07553	0.7
153.05376	0.4
153.06947	0.4
157.06467	0.5
158.03647	4.8
159.04427	1.1
161.02354	0.8
161.05960	0.8
163.07582	1.2
165.07047	1.0
166.05029	1.3
167.03439	0.8
167.05415	1.0
167.07048	0.5
168.05659	0.7
169.06520	1.1
171.04404	0.9
173.05994	5.5
175.03908	0.5
176.04732	4.1
177.05496	1.3
181.04974	1.7
181.06454	0.8
183.08081	1.5
184.05389	0.5
185.06006	0.5
187.07504	0.7
189.05495	0.7
190.06242	0.6
191.07048	4.9
196.05321	0.7
197.06065	1.0
199.07588	0.7
201.05504	5.2
204.04185	4.5
205.08688	2.0
211.07564	1.5
213.05415	1.1
214.06239	0.9
215.06998	0.9
219.06546	100.0
220.06886	0.7
221.08035	0.4
227.07127	0.5
229.04994	0.5
229.08582	1.1
232.07382	0.7
239.06982	0.7
242.05740	0.8
243.06577	0.5
243.10313	0.5
245.08102	0.6
247.09660	1.3
257.04395	0.5
257.08124	1.1
260.05911	1.1
270.05090	0.5
271.05988	1.0
271.09692	0.9
275.09189	1.7
285.04633	0.5
285.07581	3.4
285.12152	0.4
288.05435	2.8
288.09860	0.4
303.05026	2.1
303.08554	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	303.0864
Annotation	Artocarpanone
Peak:m/z	Relative Intensity
50.38351	0.3
53.00317	0.5
55.01883	0.6
55.05507	0.8
65.03942	6.3
67.05511	4.3
67.21436	0.3
68.99810	0.7
69.03430	0.5
70.06587	1.5
71.06928	0.4
71.59217	0.5
79.05489	0.6
81.03426	0.7
81.07076	0.6
83.01330	0.3
83.04973	2.0
85.02915	0.3
86.09704	0.5
87.62001	0.3
91.05491	5.9
93.03404	7.2
93.07088	0.4
94.04206	0.6
95.04977	2.9
95.08615	0.8
97.02904	2.9
103.05469	0.7
105.07062	0.3
107.04975	0.5
109.02882	0.8
109.06523	0.3
111.00813	1.1
111.04451	0.9
112.07597	0.4
113.07951	0.5
115.05458	0.7
119.04936	3.3
119.08577	0.3
121.02872	20.6
121.06473	0.7
122.03660	1.0
123.04441	1.0
127.03924	0.5
131.04962	1.1
133.06520	0.5
135.04419	0.7
137.02351	4.1
137.05984	20.0
138.96846	0.3
139.03908	58.4
140.04143	0.3
141.07127	0.5
145.02852	0.4
147.04454	0.4
149.02347	9.6
149.05981	0.6
151.03984	0.4
151.07559	1.3
153.01849	4.9
153.05553	0.7
153.06967	0.7
155.04877	0.5
155.08589	0.5
158.03609	0.4
161.06013	0.4
163.03952	0.7
163.07559	0.8
165.01883	1.8
165.05600	0.6
165.07014	1.9
165.70273	0.3
166.02672	0.4
167.03407	100.0
168.03902	0.3
168.05641	0.6
173.02179	0.4
173.05981	0.6
177.05475	0.6
181.06467	0.5
183.02850	0.5
183.08061	1.6
187.03862	0.4
187.07588	0.4
196.05255	0.4
197.06084	0.3
201.05478	2.4
204.04167	0.6
205.04988	0.5
207.04492	0.4
211.07558	1.9
213.05377	0.3
219.06549	7.1
228.04147	0.4
228.07750	0.3
229.04933	4.4
239.07001	0.9
243.10124	1.2
246.05182	0.4
247.06093	0.6
257.04492	2.8
257.07983	0.5
271.09732	2.2
274.04645	0.7
285.03928	1.0
285.07339	0.5
285.11945	0.4
288.09930	0.4
293.10233	0.4
303.04971	51.5
303.08609	23.1
304.05283	0.6
304.08649	0.4
309.49457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1233
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
53.03935	0.7
55.05514	0.8
56.96584	0.5
65.03951	0.8
65.46696	0.4
67.05507	1.1
69.03433	1.5
69.07069	0.8
69.30790	1.8
69.31218	1.8
71.05001	0.5
71.97841	0.4
75.31403	0.3
79.05489	1.2
81.03415	0.5
81.07053	2.2
83.05005	0.7
83.08648	0.4
84.69312	0.4
84.96036	0.8
91.05486	3.1
93.07060	1.4
94.04195	2.7
95.04955	1.0
95.08627	1.4
97.02901	14.3
98.21789	0.4
98.97618	0.5
99.04408	0.4
103.05465	1.2
105.07049	2.1
105.95684	0.4
107.04933	0.8
107.08595	1.2
109.02882	0.6
109.06573	0.4
109.10174	1.2
115.05460	1.8
119.04910	0.7
119.08604	1.1
121.06496	0.8
121.10153	1.6
122.03661	7.9
129.06963	0.4
131.04956	1.5
131.08606	0.7
133.06494	0.5
133.10143	0.9
135.11731	0.7
136.08435	0.5
137.05984	100.0
139.03831	0.4
144.05724	0.7
145.02856	0.6
145.06503	1.3
145.10138	0.6
147.04382	1.1
147.11725	0.9
148.05238	0.7
149.06013	1.3
149.09668	0.6
151.03925	0.6
151.07538	1.6
152.06386	0.4
153.05528	0.9
153.07018	1.8
154.07768	0.5
155.30090	0.4
158.03642	1.6
161.05945	1.0
161.13316	0.6
163.07602	0.8
163.14680	0.4
165.05768	0.5
165.06989	2.3
167.03452	0.9
167.10728	0.4
168.05719	0.8
173.05952	2.1
175.03978	0.5
176.04716	1.9
177.05479	1.7
179.07150	0.6
181.04988	0.9
181.06525	1.5
182.07225	0.7
183.08026	2.2
190.06200	0.7
191.07053	1.5
196.05220	0.5
197.05959	0.5
199.07652	0.5
201.05472	1.8
204.04163	1.7
205.08609	0.8
209.05847	0.6
211.07553	2.0
213.05460	0.8
213.09250	0.7
219.06540	40.1
225.09142	1.1
228.07895	0.6
229.08449	0.5
239.07076	1.0
241.04869	0.6
241.08687	0.4
243.10185	1.4
245.08116	0.6
247.09685	0.5
251.05911	0.4
253.08525	0.6
257.08133	0.7
257.11581	0.4
259.06210	0.5
259.09576	0.5
271.09659	2.3
273.11185	0.9
275.09271	0.7
285.07596	0.4
285.11249	0.6
297.06323	0.5
303.05038	1.9
303.08606	13.6
303.12195	1.5
303.19656	0.7
303.23120	1.2
311.08133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03946	1.3
55.05516	2.2
57.02160	0.4
57.07071	3.1
67.05512	7.0
69.07070	5.6
71.56748	0.9
79.05495	3.7
81.07066	36.0
83.08617	1.0
87.04508	0.6
91.05482	3.0
93.07055	12.7
95.08613	17.2
97.10184	0.6
105.07043	8.1
107.08604	5.8
109.10172	9.1
117.07021	2.2
119.08583	7.0
121.06477	1.1
121.10153	7.6
123.11717	100.0
129.07043	0.8
130.07785	1.3
131.08597	4.0
133.10129	5.5
135.08109	0.5
135.11696	2.3
137.13295	0.6
141.07068	0.6
142.07773	1.5
143.08571	1.7
144.09375	1.4
145.10132	10.9
147.11696	3.0
155.08514	0.8
156.09326	0.7
157.10172	4.7
159.11711	11.2
161.13277	1.3
163.11191	2.8
169.10132	1.3
171.11768	1.1
173.13274	3.6
175.11281	1.0
175.14879	1.8
177.12811	0.9
181.12239	2.7
185.13260	0.7
187.14986	0.8
189.12660	0.6
191.14323	0.6
199.14825	1.5
201.16368	1.2
211.14793	1.7
213.16266	0.9
215.17964	28.9
229.15881	0.9
243.21095	1.1
257.22617	1.1
267.21060	2.0
285.22125	5.2
288.63242	0.5
303.04886	1.0
303.08044	0.8
303.19855	1.1
303.23190	21.5
303.30801	1.6
304.81311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
51.91527	1.5
53.03933	2.8
55.05499	9.1
56.32655	1.3
56.96569	8.6
57.07068	3.2
60.10746	1.3
67.05509	22.9
69.03421	6.5
69.07072	13.9
70.94269	2.3
70.94607	2.3
71.05000	20.3
71.08592	2.0
79.05503	18.5
81.03438	1.4
81.07063	48.9
83.04993	9.0
83.08619	5.0
85.06553	2.3
91.05491	28.9
92.05817	8.9
93.07050	42.4
95.04971	27.1
95.08068	2.0
95.08620	30.0
96.04479	2.5
97.06528	5.5
97.10141	2.6
97.39684	1.5
98.97598	12.7
99.08087	3.4
103.05467	3.8
105.07043	27.8
107.08598	65.7
109.06501	6.1
109.09459	2.5
109.10165	36.8
111.08064	3.7
116.98610	6.2
117.06998	2.9
119.08595	30.2
119.57509	1.8
121.06520	28.1
121.10150	25.4
123.08054	4.4
123.11710	10.6
125.09617	7.9
127.11162	5.3
129.07016	1.8
131.08563	6.7
133.06502	2.0
133.10147	22.4
134.99654	3.1
135.08034	6.0
135.11705	42.7
137.05916	1.4
137.09631	7.0
137.13268	2.2
138.05515	100.0
139.05838	3.5
139.11151	2.0
140.00201	2.2
143.08549	4.8
143.10652	4.0
145.10129	17.3
147.11713	15.4
149.09630	1.9
149.13263	6.1
151.07520	2.0
151.11253	1.6
153.12764	14.3
155.08594	1.6
157.10124	4.1
159.11710	12.2
161.09654	2.5
161.13261	11.2
163.11191	5.9
163.14885	1.8
165.09047	2.5
165.12720	2.4
169.10115	1.7
171.11691	5.1
173.13249	5.4
175.11099	2.1
175.14827	21.4
177.12801	2.1
177.16370	2.5
179.14294	2.6
179.99706	4.7
183.11725	1.9
187.14790	5.2
189.16425	7.6
191.14345	1.6
193.01700	6.5
193.12228	2.2
193.15898	14.0
195.03287	7.9
198.00766	3.9
199.14888	11.7
201.16335	4.3
203.17949	8.9
205.15889	2.4
211.02824	6.3
211.14793	3.2
213.04506	3.5
213.16379	3.2
215.17894	3.5
217.15884	4.2
229.15831	3.2
233.18857	1.7
237.04303	3.7
239.09485	2.0
243.21147	2.0
243.25154	1.6
247.16818	2.3
255.05412	4.1
257.10690	2.1
257.22702	5.0
267.21124	2.0
285.22147	11.0
303.04871	4.1
303.08017	2.5
303.16058	2.4
303.19604	6.6
303.23175	68.6
303.26788	3.9
305.06912	8.3
323.07855	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.118
Annotation	Cenocladamide
Peak:m/z	Relative Intensity
59.81900	0.3
72.08124	0.4
79.05460	0.5
91.05466	1.1
95.04956	1.2
95.19931	0.4
98.21512	0.8
106.51127	0.4
115.35891	0.5
118.06536	0.4
121.06507	2.1
122.06818	0.6
123.04421	0.7
136.07567	1.0
144.08069	0.8
146.06000	2.3
151.03857	0.5
152.07068	1.2
159.09149	1.3
164.07057	1.4
164.91594	0.4
166.85968	0.4
167.07375	0.7
170.09618	0.6
171.06750	0.9
172.07600	4.1
178.08630	0.8
182.09573	0.6
183.06888	0.6
184.07555	2.5
185.08405	1.4
186.09242	0.5
188.07120	2.2
190.08667	1.0
194.90215	0.4
197.08344	2.2
198.09154	1.2
199.06277	0.4
202.08640	4.6
203.09404	0.5
204.10219	1.6
205.09709	0.7
210.09158	2.1
212.07053	1.3
212.10707	1.0
214.08659	1.6
215.09438	0.9
216.10213	12.8
218.11472	0.4
225.07805	0.6
226.08630	0.6
227.09387	1.1
228.06577	1.8
228.10179	7.8
230.08136	72.5
231.08771	1.5
232.09688	3.2
240.10225	2.6
241.07423	0.8
242.08035	0.7
243.08751	0.6
244.09697	1.0
246.11311	1.7
255.09001	1.0
256.09720	1.6
258.07758	1.4
258.11267	26.3
259.08417	5.0
262.10773	0.4
268.09714	1.5
274.10739	0.5
276.12344	2.9
286.10754	12.0
286.13626	0.4
304.11816	100.0
305.12180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05347	0.5
53.97934	0.5
55.05520	0.5
56.96570	32.2
67.05518	3.0
69.07052	1.4
71.57361	0.6
71.95262	2.2
72.96037	0.9
78.61687	0.6
79.05488	1.1
81.07050	2.1
84.96027	1.3
91.05483	1.4
93.07044	2.0
94.82779	0.5
95.08598	2.4
98.21297	0.7
98.97585	5.1
105.00154	1.9
105.07005	1.1
107.08589	0.9
109.10152	2.2
110.97601	1.2
112.99121	0.9
113.05962	0.9
116.98628	2.0
119.01703	1.2
119.08540	0.7
121.06493	1.5
121.10161	0.8
123.01197	1.4
128.98590	1.9
131.00136	1.4
135.11787	0.8
137.02727	1.9
139.00688	3.1
141.02237	1.1
146.99666	0.7
149.09491	0.6
151.00662	2.2
151.11180	0.7
153.02237	8.0
155.03783	1.5
157.01727	2.6
158.99619	0.8
165.02274	1.1
167.03810	1.9
168.18169	0.5
169.01778	2.8
169.05432	0.8
171.03300	9.9
173.01262	1.6
173.04886	1.2
177.00749	1.3
179.03751	1.1
181.05336	1.7
183.03369	1.3
185.04848	6.2
187.02747	0.6
187.06456	0.6
189.04372	2.2
192.38788	0.6
194.04765	0.7
195.06950	0.7
197.04874	2.0
199.02675	0.6
199.06447	5.7
203.05931	4.8
205.05409	0.8
207.06911	1.7
208.06563	0.6
209.08585	1.4
211.06389	0.7
215.05923	1.3
217.05585	0.7
217.07442	4.4
221.08644	0.8
225.08020	2.3
227.09612	1.0
233.08499	1.7
233.19060	0.8
235.10008	2.5
237.08014	1.1
237.11435	0.8
242.24767	0.6
245.08511	1.5
251.09567	3.7
251.20160	4.7
253.11122	2.4
263.09525	14.3
269.10583	1.0
270.18060	0.6
281.10626	100.0
282.10712	0.8
299.11676	50.1
300.12137	1.0
304.12198	16.6
304.28464	1.8
305.12537	0.8
322.13223	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	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01894	0.5
55.05495	0.8
56.05037	1.0
56.96569	2.0
57.03431	1.8
58.06585	0.7
61.02919	1.8
67.05506	1.0
68.05019	0.7
68.49326	0.4
69.03437	4.7
69.07075	1.1
69.73253	1.7
69.73664	0.8
70.06599	5.6
72.08149	1.0
73.02907	1.4
74.06073	1.7
74.88089	0.5
79.05502	4.3
80.05006	0.5
81.03429	1.7
81.05791	2.6
81.07071	4.4
82.06567	1.0
83.04958	0.5
84.04508	0.5
84.08147	0.6
84.96053	0.6
85.02910	8.2
85.06549	0.6
86.06061	0.7
86.09711	18.9
87.04481	1.0
91.05491	2.0
94.06598	0.8
95.04971	1.0
95.06123	0.5
95.31298	0.4
96.04482	1.2
96.08134	8.0
97.02903	3.7
98.97578	5.9
99.04475	1.0
102.05553	1.2
106.06562	0.7
107.04945	1.0
109.02896	2.0
110.06009	0.8
110.97558	1.2
111.04445	0.5
112.07627	2.6
112.99174	0.6
113.06048	0.5
114.05543	1.8
116.98633	1.7
119.04916	1.2
120.06590	1.6
121.02916	0.6
121.06519	1.1
122.06064	0.8
123.04436	4.3
124.07603	100.0
127.03926	1.9
128.98636	0.8
134.99672	0.5
135.08003	0.7
136.07617	0.8
137.05998	4.0
138.06288	1.1
139.03958	0.6
140.03488	1.4
140.07059	1.4
142.08644	32.4
143.00195	0.8
143.85165	0.5
145.04994	1.3
146.99658	0.5
155.04662	0.8
155.54803	0.7
157.13373	7.3
158.99701	1.6
161.01299	0.7
162.05437	0.8
163.03969	1.1
165.05481	3.0
167.07057	0.8
168.06610	1.1
173.09184	0.9
175.11963	0.6
177.00671	0.8
177.05467	0.7
178.03848	0.5
185.09172	2.8
185.12837	4.3
187.14407	2.1
190.60834	0.5
201.00668	0.5
201.12350	1.1
205.22928	0.5
212.06276	1.5
212.56435	2.2
214.05009	0.6
215.13870	0.9
219.01796	2.3
234.07541	0.6
237.02927	1.9
237.05200	0.7
239.04446	0.7
280.07193	0.5
286.14160	1.1
286.17636	1.3
295.07678	0.8
304.11380	2.0
304.16885	0.6
305.09091	2.0
305.12201	2.0
313.90994	0.5
323.10123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
56.05026	1.9
56.96560	2.9
57.03432	1.4
58.06590	0.7
61.02925	1.0
62.93908	0.8
67.05496	1.0
68.05048	0.7
69.03414	2.7
69.07066	1.6
69.55276	3.6
69.55685	1.6
70.06598	3.5
71.04990	0.8
73.02914	1.2
74.01572	0.8
74.06078	6.1
74.57172	0.6
79.05488	3.1
81.03407	0.9
81.05792	1.5
81.07052	2.7
82.06564	0.9
84.04508	1.6
85.02912	4.9
86.09711	43.2
91.05470	1.6
93.06986	0.6
95.04983	1.2
95.06114	0.7
95.89335	0.6
96.04518	0.9
96.08133	8.9
97.02901	3.2
98.21439	1.1
98.97581	5.3
101.07119	2.0
102.05530	1.2
106.06560	1.5
107.04951	0.9
109.02891	1.4
110.97552	0.9
112.07598	0.6
112.99084	0.7
114.05519	2.7
116.98608	2.3
120.06593	2.5
123.04434	1.1
124.07597	80.2
124.99081	1.0
127.03894	1.1
128.98645	0.7
130.05046	1.3
137.05960	3.2
138.06282	1.4
140.03474	1.4
141.05612	0.7
142.08644	100.0
143.00200	1.2
143.03381	0.8
143.08963	0.8
148.43597	0.7
157.13368	19.1
158.99701	2.5
163.03928	1.3
165.05504	3.5
166.05830	1.1
173.02866	1.2
177.00706	1.4
183.07202	0.7
185.09245	2.9
185.12865	7.9
187.14435	9.1
201.08588	0.9
201.12344	2.7
212.06268	1.3
214.04922	0.8
215.13887	5.1
219.01860	1.6
221.03848	1.5
233.15112	0.9
237.02907	1.4
237.05263	1.7
239.04431	1.0
246.05656	0.8
281.05545	1.0
286.13983	1.7
286.17636	3.5
304.11429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	3.1
69.46057	17.5
69.46476	10.0
81.04551	22.5
85.02906	13.6
94.22949	3.8
95.06074	11.8
97.02886	4.8
118.90889	3.5
125.07137	32.2
143.08157	100.0
183.59988	3.3
186.07687	3.6
202.05971	3.7
305.06171	52.7
305.12332	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	305.087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32960	0.5
53.03939	1.3
55.01875	2.2
55.05509	1.0
56.96552	2.4
57.03431	1.2
59.34063	0.5
61.02917	1.5
61.77874	0.5
67.05524	1.3
69.03429	3.9
69.07054	0.7
69.30936	0.5
69.75137	1.0
69.75555	1.8
70.06590	1.1
71.04994	1.3
72.08152	1.1
73.02905	1.2
79.05492	1.6
81.03423	1.9
81.07063	1.6
83.04992	1.0
83.65126	0.6
84.08152	2.7
84.96017	0.7
85.02424	0.9
85.02908	11.8
87.04467	0.6
91.03992	0.6
91.05467	1.7
95.04945	1.0
95.08630	0.7
96.55124	0.5
97.02881	5.8
97.06547	1.3
98.21487	0.7
98.97587	4.9
103.05473	0.6
105.07030	0.9
107.04965	0.6
107.08585	1.3
109.02885	1.4
109.06503	0.8
109.10175	2.8
110.97562	0.8
113.05914	0.5
114.05483	1.2
116.98622	1.8
119.08602	1.2
120.08143	0.7
123.04356	0.6
125.02361	2.3
125.05991	2.4
127.03899	2.0
128.98593	0.6
135.04433	0.7
136.07614	4.2
137.05994	1.7
137.09622	1.3
142.08620	1.1
143.03401	100.0
143.07027	3.5
145.02802	0.7
145.04974	2.3
146.06296	0.5
151.07617	1.0
153.06601	0.7
155.10635	1.1
158.99675	1.1
163.03905	2.3
164.07088	2.0
165.05457	1.3
177.00639	1.4
185.09216	0.5
186.07635	1.0
213.10298	0.7
213.12260	0.9
219.01802	0.7
223.59274	0.6
237.02905	0.8
241.13350	1.0
241.15550	0.8
259.14438	0.8
269.12875	1.8
287.13943	0.8
305.11746	1.3
305.15057	5.8
305.20978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01880	1.6
55.05518	0.7
55.46896	0.5
56.96572	7.7
57.03439	2.9
61.02927	4.5
62.99115	0.4
64.10802	0.5
66.82690	0.5
69.03439	10.8
69.78245	1.6
69.78641	0.9
70.06590	1.2
70.98110	0.8
71.01370	1.1
71.04999	1.5
71.95270	0.7
72.08181	0.9
73.02906	2.8
73.40339	0.5
81.03420	3.9
81.04555	1.2
83.04984	0.7
84.08142	0.9
85.02909	27.7
86.06078	1.2
86.09764	0.9
87.04474	1.4
88.99171	0.7
91.03944	0.8
91.05490	1.0
97.02897	36.3
98.97589	9.5
99.04489	2.1
101.00858	3.1
107.04990	1.1
109.02886	3.6
110.97597	1.7
111.04478	0.5
112.99168	0.7
114.05518	3.2
115.02410	0.6
116.98641	2.8
119.01914	3.1
119.04925	0.8
120.02594	0.5
121.06516	0.6
124.92818	0.6
124.95650	1.1
125.02362	100.0
125.07123	1.4
127.03929	5.6
128.98621	2.0
129.03125	0.7
131.00235	1.1
131.01910	1.1
136.07597	0.8
137.05981	3.0
138.97321	1.6
140.95264	1.3
142.08655	0.6
142.96591	0.7
143.03403	85.5
143.08165	5.0
145.03813	0.8
145.04977	5.6
146.99635	0.8
147.03236	1.0
147.04425	1.4
149.02196	0.6
149.05980	0.6
155.01906	1.4
157.03522	1.2
158.07967	0.6
158.99652	1.3
159.04982	0.7
161.01250	1.4
161.02989	2.2
163.03888	0.5
166.95006	0.6
167.07007	1.4
169.03520	0.5
170.95981	1.0
170.99754	0.8
171.03293	0.6
172.94415	0.7
173.01430	0.5
173.02966	2.6
175.02902	0.5
175.04501	1.4
177.00777	1.0
182.96252	0.9
185.01392	1.0
185.02954	2.9
186.07657	3.3
187.04478	1.0
188.97089	1.5
190.98689	0.6
193.00133	0.6
196.97780	0.8
201.00800	0.6
202.06036	4.3
202.56160	0.9
202.98544	0.8
203.02310	0.9
203.03993	3.9
203.07626	1.1
205.05490	0.7
207.05171	1.0
208.04979	0.9
213.04433	0.7
214.32896	0.5
215.07610	0.7
219.01776	1.1
221.03229	0.9
221.05103	0.9
223.06660	0.7
225.06032	0.6
230.98105	1.5
237.02884	0.7
239.04419	1.2
244.99910	1.9
245.05255	2.4
248.99306	1.2
259.01340	1.3
263.00891	2.6
263.05960	0.7
277.02267	1.6
281.01678	0.8
287.01147	0.6
287.12421	1.8
305.02374	6.2
305.06192	1.0
305.12045	16.1
305.17706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.8
55.05508	1.6
56.05032	2.3
56.96572	2.7
57.03440	2.6
58.06594	1.9
59.04993	0.6
61.02924	1.5
63.16670	0.6
67.05502	1.7
68.05038	1.4
69.03433	6.1
69.07077	1.2
69.62529	1.4
69.62943	2.4
70.03793	0.7
70.06596	6.7
71.01364	0.7
71.05003	1.7
72.08157	1.1
73.02913	2.4
77.00901	0.6
79.05498	2.5
80.05016	0.9
81.03433	1.9
81.07068	6.5
82.94790	1.1
82.99863	1.1
83.04984	1.9
84.08156	1.4
85.02908	8.2
86.06075	8.0
86.09727	0.6
87.04478	0.9
88.04003	1.5
91.05494	1.5
93.07056	1.7
95.04986	1.1
95.08620	0.9
97.02897	2.0
97.06561	1.0
98.21208	1.9
98.97585	8.8
99.04455	1.6
101.00882	8.1
101.07178	0.6
102.05533	1.1
103.02469	1.0
103.03950	1.7
105.07043	0.6
107.03442	0.6
107.04955	0.7
107.08562	2.7
109.02898	1.0
109.06545	1.4
109.10175	5.0
110.97605	0.7
111.02991	1.9
111.04491	0.7
111.08112	0.6
112.07622	1.3
112.21768	0.5
113.00881	1.3
114.05542	26.4
114.09178	1.1
115.02437	3.2
115.05902	0.7
116.98650	2.4
117.04047	0.8
119.01934	12.6
121.06519	3.9
122.03973	0.6
123.05565	0.9
123.11671	2.6
124.03964	1.5
124.95815	1.5
125.02369	0.6
125.04493	0.7
127.02473	0.9
127.03915	1.9
127.06028	0.6
127.11224	1.3
128.07126	0.7
128.98611	1.1
129.04004	5.5
129.05502	0.8
129.57706	0.5
130.05028	2.3
131.00130	0.6
131.01938	2.9
131.05562	1.2
133.03487	6.8
133.10150	1.1
135.06644	0.6
136.06233	1.0
137.03011	1.8
137.06004	2.1
138.06367	0.7
138.97321	3.9
139.06120	0.6
139.11259	1.0
140.07108	1.7
140.95279	2.5
141.03908	0.8
141.06596	2.9
142.08667	7.6
143.01863	2.9
143.03412	2.3
143.05524	3.3
145.03487	2.8
145.04965	0.8
145.07143	4.4
146.08109	2.9
146.99603	0.6
147.03197	0.7
147.05045	4.1
149.01221	0.7
150.07101	0.9
151.04601	0.6
151.11194	9.4
151.12341	0.8
152.95384	0.8
153.04019	1.4
153.05855	0.7
155.01901	1.8
155.05576	2.1
157.03503	2.4
157.07178	4.2
158.08163	3.2
158.96303	0.9
158.99669	2.7
159.05031	3.3
159.08698	0.8
160.09790	1.0
161.02953	3.4
161.06656	1.3
163.03941	1.1
163.08144	4.0
164.95329	0.8
165.07625	0.8
167.05577	0.8
169.03574	0.8
169.09692	1.4
169.12172	1.2
170.04282	1.3
170.96265	0.7
171.05072	7.7
173.02921	2.6
173.06676	3.9
175.04544	2.2
175.08170	4.0
177.00830	1.6
177.09769	1.3
178.96965	1.1
179.02049	0.9
180.98480	0.7
182.96355	1.6
183.05127	2.8
183.08737	3.8
185.03040	1.9
185.06619	5.0
185.09247	1.5
186.07645	32.3
186.09514	2.1
187.04549	1.1
187.08115	3.5
189.06100	3.9
190.96902	0.8
191.09135	0.9
196.09499	2.4
196.97935	2.1
197.03130	0.7
197.06705	0.6
197.10385	5.5
199.04625	1.1
199.06442	1.1
199.08156	5.0
201.06082	4.6
201.09731	11.6
201.11455	1.0
203.04102	2.0
203.07764	1.1
204.08635	2.8
205.05724	0.9
205.10014	4.3
205.60127	0.8
207.05270	0.7
209.06644	2.1
209.10240	12.3
211.04770	0.7
211.08194	0.7
213.09776	0.7
214.10524	4.0
215.07883	1.1
215.11348	22.8
217.09283	0.8
222.09566	0.8
223.06644	1.4
223.11859	0.8
225.06248	0.9
225.09789	1.1
227.11308	30.6
233.06714	0.7
233.10353	0.7
233.12341	2.7
237.02795	0.6
239.11293	4.2
241.12180	2.0
244.99916	2.9
245.05119	4.5
245.12383	15.4
251.11322	8.9
251.13713	1.1
257.12375	5.3
263.01071	4.9
263.06210	0.8
263.13455	18.4
269.12387	32.5
273.10812	1.5
287.01019	1.3
287.07980	0.6
287.08780	0.8
287.12360	18.9
305.02267	9.5
305.14496	100.0
306.14777	1.1
309.08661	1.7
310.09076	1.0
323.09805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
57.01677	0.3
67.05505	1.0
69.41029	2.6
77.03910	0.6
79.05507	0.8
81.07056	1.4
87.93913	0.3
91.05471	3.0
93.05795	0.9
93.07050	2.4
94.06577	0.7
94.63890	0.3
95.04970	1.1
95.08614	0.5
96.08130	1.2
97.25993	0.4
98.97558	0.4
105.04501	0.5
107.08547	0.4
108.08115	1.5
109.10175	0.3
117.45928	0.4
121.06487	1.4
122.06047	3.6
122.06842	0.4
124.07592	8.6
126.05508	1.1
130.62381	0.3
136.07582	100.0
138.09131	0.7
140.07085	0.7
146.55273	0.3
150.05550	0.9
151.09547	0.3
152.07076	20.3
160.35564	0.4
164.07074	78.5
165.07407	0.4
170.08154	4.9
182.08131	17.8
214.39796	0.4
237.63911	0.3
287.13943	5.9
305.07941	0.8
305.11472	0.5
305.14896	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11217	0.3
53.03947	0.9
60.27259	0.3
67.05513	1.0
70.23966	0.3
70.25452	1.1
71.04977	0.4
77.03923	0.4
79.05512	0.7
80.04975	0.4
81.03422	0.4
81.07066	1.5
91.05486	2.6
93.07050	2.6
94.06578	0.4
95.04974	1.1
96.08172	0.7
98.20760	0.3
108.04515	0.6
108.08156	1.6
112.62804	0.3
121.06496	1.7
122.06068	3.2
124.07602	7.9
125.68606	0.3
126.05527	1.0
136.07584	100.0
137.07976	0.6
138.09242	0.6
140.07085	0.9
150.05580	0.5
152.07082	19.3
164.07076	79.2
165.07378	0.4
166.08614	0.4
170.08133	5.0
182.08138	17.9
211.06413	0.4
284.08304	0.3
286.76688	0.3
287.13898	5.4
305.07895	0.7
305.11655	0.6
305.15024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	NSC 177499
Peak:m/z	Relative Intensity
55.01863	0.7
65.03941	1.0
67.05501	2.5
69.03419	0.6
69.07057	0.5
70.06586	0.6
70.51717	0.4
70.70360	0.5
70.70715	1.1
71.05008	0.6
79.05488	1.8
80.05026	0.5
81.07061	1.2
82.06597	0.6
85.06604	0.6
91.05482	1.5
93.05794	0.9
93.07044	1.3
94.06583	4.0
95.04964	1.3
96.08130	1.2
97.02879	0.5
103.05484	0.6
106.06560	0.8
107.04913	0.6
107.08562	0.4
108.08121	15.4
109.06539	0.5
109.10161	0.5
110.06055	5.8
117.05708	0.6
118.06558	5.6
119.04985	0.7
119.07327	4.9
120.08119	7.3
122.06059	4.0
123.06815	2.1
124.07604	9.4
125.06013	0.6
125.09738	0.7
132.08073	1.0
133.07620	0.8
134.05980	0.7
136.07588	91.4
137.06087	0.4
137.07968	0.4
138.09166	0.8
139.95836	0.4
140.07048	0.5
141.07806	1.0
142.08643	10.5
143.07080	0.5
143.10640	0.7
145.07574	0.6
146.06026	5.5
146.08408	1.5
146.09514	0.5
147.06799	2.4
147.09181	1.2
148.07573	5.6
152.07037	1.4
154.08667	3.7
155.10532	0.6
160.07581	0.9
161.07095	1.6
164.07080	38.8
166.08572	0.7
168.08044	0.8
170.08427	0.9
172.11296	0.6
173.10742	4.5
174.07909	1.0
175.08708	0.6
181.08852	2.0
183.09175	1.3
183.10564	0.6
184.09953	1.2
185.10735	0.8
195.09271	1.4
196.11234	2.7
197.10753	1.9
198.07884	1.2
198.11513	3.7
199.08611	0.6
199.12444	0.5
201.10210	6.3
211.08588	2.5
211.12331	1.0
212.09254	2.8
213.10274	5.6
213.13834	3.4
214.10884	0.5
215.11804	1.2
223.12329	1.7
224.10748	3.2
225.10219	4.3
226.10995	8.4
226.13014	0.7
227.11794	0.6
228.12738	0.5
229.13457	0.9
239.08257	0.4
239.11865	1.5
240.08905	1.4
240.12561	2.9
241.09761	5.9
241.13376	23.8
243.11292	0.5
251.11827	0.7
253.09871	0.8
254.10536	3.5
257.12958	0.5
258.13727	0.7
259.14450	24.1
269.12863	41.8
277.15552	1.8
287.13919	38.7
305.14975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2113
Annotation	11beta,17beta-Dihydroxy-4-androsten-3-one
Peak:m/z	Relative Intensity
53.03934	2.1
55.01864	1.6
55.05510	5.9
56.96576	1.7
57.03436	1.7
57.07077	2.0
58.06596	8.7
58.84364	1.4
59.06930	2.4
67.05508	9.9
67.22413	1.4
69.06782	1.3
69.07079	16.9
69.68884	7.6
71.05013	1.5
74.08906	1.2
79.05499	8.3
81.03384	1.9
81.07063	24.7
83.04982	2.7
83.08612	4.6
85.02917	18.0
91.05490	29.6
91.21687	1.3
92.05822	7.3
93.07058	13.0
95.04971	5.1
95.08614	35.1
97.06503	3.4
97.10161	3.2
98.21503	1.9
99.04442	1.5
105.07040	18.9
107.08594	12.8
109.06519	6.2
109.10161	14.1
111.08081	2.0
111.11758	1.5
115.23843	1.3
117.07037	4.8
119.08582	15.1
121.06515	75.6
121.10144	6.4
123.08082	7.2
123.11718	3.0
125.06028	1.8
125.16661	1.3
128.06210	1.8
131.08580	19.7
133.10127	11.5
135.08070	13.2
135.11690	4.0
137.05965	4.9
137.09618	3.2
137.13225	2.0
143.08559	7.6
145.06531	1.5
145.10135	21.2
147.08035	4.0
147.11697	9.2
149.05978	2.4
149.09651	5.8
149.13243	2.6
151.07555	4.0
153.09084	2.0
157.10193	6.5
159.08047	2.6
159.11707	11.7
161.09657	3.9
161.13324	3.1
163.07584	1.9
163.11244	2.0
163.14835	1.8
165.09146	5.0
169.10196	2.6
171.11691	4.8
173.09650	2.8
173.13300	4.4
175.11156	4.1
175.14854	4.0
177.09091	4.8
177.16330	1.5
183.11589	1.9
185.09634	2.0
185.13324	6.3
187.11160	3.7
187.14825	26.1
189.12794	1.7
191.10701	6.0
191.14305	1.9
199.14813	2.0
201.16341	5.0
203.10632	1.6
203.14302	2.1
203.17967	2.9
205.12283	4.5
205.15991	1.8
209.13315	1.6
211.14793	3.2
212.23671	2.0
213.12639	1.6
213.24063	4.8
217.12276	1.5
219.17509	2.4
227.14261	2.1
229.15884	3.6
231.13834	4.7
241.19551	2.6
245.19006	15.1
247.14455	2.9
247.16959	47.5
248.75473	1.4
259.20593	83.7
269.19135	2.1
287.20065	100.0
305.17853	2.7
305.21146	17.1
305.26678	5.3
305.30435	23.3
317.76859	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	2.0
55.01872	2.8
55.05515	11.7
57.03434	3.1
57.07071	4.3
65.03947	4.9
67.05508	50.7
69.03419	3.4
69.07067	7.7
69.28590	14.1
71.05031	1.4
79.05499	13.7
81.07059	20.7
83.08620	3.2
85.06526	2.3
91.05482	17.5
93.07048	19.4
95.04977	100.0
95.08611	13.7
97.06537	7.3
105.07028	12.7
107.04974	7.4
107.08596	12.3
109.02856	2.1
109.06556	7.7
109.10149	4.2
111.08076	2.8
115.05420	1.9
117.07023	4.5
119.08572	9.0
121.06516	7.7
121.10146	6.9
123.08041	3.1
123.11713	2.1
129.07002	3.4
131.08585	12.7
133.06488	4.5
133.10110	4.5
135.08044	2.6
135.11720	4.4
137.05986	5.3
140.92435	1.7
143.08578	5.4
145.10133	6.9
147.08052	8.3
147.11705	2.2
149.09613	3.0
149.13316	4.6
157.10190	2.7
158.93539	2.1
159.11723	3.1
161.09544	1.8
163.11148	2.5
169.10133	2.8
176.94499	3.6
177.12758	3.8
185.13297	1.8
187.11258	3.1
187.14743	1.9
191.17989	2.5
221.66359	1.6
227.17888	2.1
232.97195	3.6
245.18993	2.9
255.17393	1.8
273.18506	30.9
305.21143	8.5
305.24332	2.2
313.27408	1.9
316.70367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03943	3.9
55.05513	30.2
56.96557	14.1
57.07066	13.8
59.05011	39.0
60.10819	2.7
67.05507	19.3
68.88235	3.1
69.03419	3.8
69.07076	35.4
69.76132	17.5
71.04987	14.3
73.06586	3.6
79.05098	4.0
79.05499	32.5
81.07065	100.0
83.08611	12.9
83.09067	3.5
84.96101	3.5
85.06564	8.6
91.05466	21.4
91.73138	2.9
93.07056	77.1
95.04986	5.2
95.08617	63.9
97.06544	28.1
97.10187	34.6
98.20754	7.0
98.97599	69.5
99.08056	4.6
105.07035	45.0
107.08604	96.3
109.06494	3.6
109.10168	55.2
111.08094	5.0
112.99158	15.1
114.06406	3.1
115.07587	10.8
116.98650	22.0
117.07017	5.4
119.08595	42.4
121.06494	10.7
121.10156	69.9
123.08099	7.4
123.11740	25.1
125.09644	41.6
127.11199	14.9
131.00200	6.7
131.08580	9.6
133.10133	44.3
135.11697	34.3
137.13277	6.7
139.11177	3.8
140.00183	4.0
141.09099	5.5
143.08736	3.1
143.10692	55.7
143.99466	3.8
145.10149	16.1
145.41730	3.0
147.11693	32.3
149.01190	5.2
149.13280	85.3
151.11180	26.8
157.10127	9.1
158.99687	20.9
159.11694	20.6
161.13287	17.5
163.14844	32.7
165.12819	3.7
171.11772	5.6
173.01262	20.5
173.02550	3.7
173.13289	17.6
175.14787	11.6
177.00723	14.8
177.16447	3.9
181.03032	3.2
184.97513	4.5
185.13287	6.1
187.14804	6.5
189.16412	8.9
191.02229	14.6
191.14426	4.6
191.17982	9.6
199.14781	7.6
201.00705	3.4
201.16376	19.8
202.98720	14.4
203.17987	42.5
209.15398	4.1
213.16425	9.4
215.17912	9.4
217.19357	5.8
219.01761	4.0
229.19542	9.6
231.47879	3.1
235.17082	3.7
244.99629	11.4
255.62337	3.0
269.22632	20.7
275.74335	3.3
282.10992	3.9
287.23743	31.6
305.24756	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03947	6.1
55.01865	3.9
55.05511	20.7
56.88223	2.0
57.07071	5.1
67.05167	3.5
67.05506	46.3
69.07065	21.3
71.05005	4.3
71.08640	19.4
71.63190	2.0
73.31523	2.1
79.05058	4.3
79.05497	59.1
81.03412	4.5
81.07059	78.4
83.04975	6.7
83.08633	13.2
85.06550	21.8
86.96595	2.2
88.74379	2.1
91.05482	28.7
93.07048	100.0
95.04980	4.4
95.08611	58.9
97.06512	6.1
97.10171	6.2
98.20694	5.0
99.08089	10.4
105.07043	37.4
107.08604	63.8
109.06539	3.3
109.10167	26.3
111.08076	6.3
113.09630	2.4
119.08602	25.3
121.06515	2.5
121.10151	60.1
123.11711	9.8
125.09671	4.0
129.06993	2.7
131.08568	8.0
133.10143	18.5
135.11708	41.6
137.13242	2.9
139.11296	3.1
141.09129	2.9
145.10117	12.3
147.11694	19.6
149.13249	16.7
151.11209	6.1
157.10181	3.8
159.11682	16.0
161.13275	17.4
163.14833	20.4
171.11740	5.5
173.13200	12.6
175.14825	5.3
177.16476	3.4
179.14348	3.2
185.13202	2.8
187.14833	7.0
189.16420	8.7
199.14899	5.8
203.18103	2.5
207.17458	84.5
213.16437	7.0
227.17917	3.3
229.19501	6.8
263.20328	2.5
267.74728	2.5
269.22644	18.6
287.23688	21.2
305.15515	3.0
305.24777	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	305.2479
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03940	5.8
55.01867	1.8
55.05515	16.1
56.96572	0.8
57.03429	0.9
57.07087	3.9
61.67877	0.7
65.03947	2.1
67.05512	33.1
67.05876	1.6
69.03415	0.9
69.07076	16.5
70.15563	1.2
70.15928	3.0
71.05016	1.4
71.08629	1.3
73.06564	0.8
77.03915	1.2
79.05499	70.4
81.07066	40.9
83.04977	2.1
83.08620	9.5
85.06554	1.5
91.05491	24.5
93.07052	100.0
95.04993	6.2
95.08617	28.9
95.09224	1.4
97.06562	3.7
97.10167	3.9
97.62897	0.7
99.08125	0.8
99.22759	0.8
105.04536	2.9
105.07039	14.5
107.08604	51.4
109.06524	2.1
109.10167	13.4
111.08049	1.0
117.07031	3.9
119.08595	10.1
121.06532	1.3
121.10158	42.2
123.08098	2.0
123.11707	3.9
125.09601	1.2
126.40870	0.8
129.07060	1.6
131.08603	5.6
133.10130	9.0
135.08078	0.9
135.11707	44.7
137.09659	1.4
137.13255	1.0
143.08626	2.0
145.10207	3.8
147.08105	1.1
147.11694	4.8
148.01538	0.8
149.09613	1.6
149.13272	25.5
151.07631	1.1
151.11278	0.8
154.26895	0.7
157.10138	2.1
159.11723	2.8
161.13309	2.2
163.14850	9.0
164.26175	0.8
171.11760	0.9
173.13310	3.2
175.11229	1.2
175.14795	0.8
177.16425	2.0
181.12277	1.5
199.14766	1.2
221.15411	1.0
235.16943	1.5
245.15530	0.7
249.18596	2.1
263.20160	1.9
273.18524	2.7
287.23721	3.3
305.21216	22.8
305.24847	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	305.2478
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.46210	1.8
53.03944	3.8
55.05518	16.5
57.07065	6.7
59.04991	5.1
67.05225	2.0
67.05512	24.0
68.99787	2.2
69.03426	7.1
69.07069	22.6
71.04995	30.6
71.57180	2.4
79.05127	2.3
79.05502	29.4
81.07066	100.0
83.04973	3.7
83.08602	6.4
85.06545	2.7
88.07627	2.6
91.05488	24.7
93.07053	64.7
95.04962	6.5
95.08064	3.2
95.08615	40.4
96.53357	2.7
97.06539	8.8
97.10149	8.1
99.08083	9.1
105.07034	37.5
107.04956	3.0
107.07870	3.6
107.08604	73.7
109.06570	12.2
109.09466	2.8
109.10168	45.2
111.08104	4.2
113.09639	5.2
117.07010	4.8
119.08601	45.7
121.06486	5.0
121.10156	51.3
123.04443	2.5
123.11720	15.3
125.09650	17.1
127.07563	3.1
127.11220	21.9
130.07787	2.7
131.08583	14.0
133.10146	31.2
135.04439	3.9
135.08051	2.7
135.11690	21.7
137.09630	9.0
137.13232	2.4
139.11172	2.9
143.08572	3.7
143.10666	17.3
145.10129	29.0
147.11705	34.5
149.13280	43.9
151.03880	8.0
151.11189	5.2
152.04677	3.9
153.12727	6.8
155.10690	4.2
156.09340	2.0
157.10159	10.4
157.68681	2.3
158.10938	2.3
159.11700	25.3
159.57124	2.3
161.13306	9.8
163.11183	3.6
163.14804	6.1
165.12724	6.0
169.12184	2.5
171.11684	5.1
173.13240	12.8
175.14841	4.7
177.16391	9.7
179.14217	3.7
185.13257	6.6
187.14807	5.1
189.16382	7.1
191.14264	3.2
193.15858	3.0
195.17365	5.1
199.14871	5.0
200.20081	4.6
201.16409	39.7
203.17970	9.6
205.15935	4.0
213.16397	8.1
215.17915	7.7
217.19479	3.0
219.17497	10.2
223.07600	5.2
223.17006	12.8
227.17970	2.6
229.19514	4.2
231.06468	3.0
233.08145	2.5
244.22760	10.9
259.09665	5.1
269.08051	2.8
269.22675	12.4
287.09253	19.4
287.23721	28.5
305.10278	7.4
305.24771	45.6
306.26395	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	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12709	0.3
57.03868	0.2
58.02962	0.6
69.07083	1.4
71.19068	0.5
71.43359	0.2
79.05492	0.7
81.07055	0.5
91.05499	0.3
93.07059	0.4
94.04195	1.5
107.08584	0.6
109.06516	0.3
109.10170	0.7
114.09155	0.5
122.03659	6.4
126.09147	0.4
133.10149	0.9
135.11681	1.1
137.05986	100.0
138.06287	0.4
151.11172	0.4
153.12772	1.3
168.11909	0.3
168.47581	0.3
170.15364	1.7
182.15437	3.6
230.18895	0.3
273.88113	0.2
306.20529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2429
Annotation	Samandarine
Peak:m/z	Relative Intensity
52.94039	1.1
53.71292	1.1
54.45017	1.2
55.05511	2.9
56.96567	6.1
57.07077	23.7
62.13576	1.1
63.00121	1.1
67.05514	2.4
69.07072	2.6
69.15710	1.2
69.36153	10.5
72.04545	1.5
81.07059	2.3
88.07650	2.8
91.05520	1.7
93.07049	1.3
95.08608	2.2
102.29311	1.2
105.07008	1.8
107.04964	29.6
107.08624	2.7
109.10188	1.3
121.06542	1.5
122.03647	4.6
131.00177	1.6
135.11748	2.2
137.05992	83.4
147.08051	2.1
149.06012	1.6
163.11186	9.6
182.15454	1.5
194.11792	84.3
203.14438	1.8
219.17433	3.0
233.65967	1.4
250.18053	100.0
285.17068	2.0
306.21191	1.1
306.24338	26.5
306.27969	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63176	0.2
66.63350	0.2
71.13084	0.4
82.99852	0.4
101.00891	3.2
119.01939	3.7
137.02930	0.4
140.98872	0.7
158.99908	2.6
165.05446	0.3
165.99701	0.3
177.00966	9.1
182.99928	0.8
201.00964	2.6
217.04115	2.3
219.02025	15.7
225.00862	2.4
234.00851	0.2
243.02020	13.5
261.03085	100.0
262.03180	1.6
263.03513	0.4
266.03546	0.5
275.04590	0.3
284.04694	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17392	4.6
61.02922	5.7
64.14832	4.3
67.03756	4.3
69.56264	14.4
69.56686	17.4
74.97630	4.0
77.48647	3.9
89.47684	4.2
94.93040	6.3
98.01244	5.0
98.20792	9.4
98.21438	10.1
98.97583	10.1
107.01768	5.5
120.02601	6.9
129.03110	11.1
140.65717	4.3
168.71254	4.2
171.04175	8.2
175.00163	28.9
202.05980	25.9
202.89035	7.2
207.05199	7.4
216.05748	57.2
223.06668	6.2
243.69075	5.2
246.69437	4.5
307.01135	5.5
307.04355	53.7
307.07925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.05503	0.3
56.96572	0.3
67.05500	0.9
69.03429	1.3
70.06584	0.4
70.61960	0.9
72.08164	0.7
74.16840	0.2
79.03560	0.3
79.05499	1.5
80.46438	0.3
81.03422	30.5
81.07040	0.8
83.04990	0.3
85.02898	0.5
88.15255	0.3
88.97727	0.3
91.05485	1.4
93.07065	1.0
95.04997	0.5
95.08628	0.4
97.02891	1.1
99.04452	0.3
105.07056	0.9
105.91564	0.3
107.04921	0.4
107.08601	2.4
109.02886	100.0
109.10163	1.2
111.04443	0.7
111.08092	1.3
114.10294	1.0
115.08686	0.3
117.03363	1.1
117.07050	0.5
119.06009	0.3
119.08541	0.3
121.06508	0.9
123.04421	0.3
125.02432	0.4
125.09662	0.4
127.03922	5.3
131.08519	0.4
135.04433	0.4
135.08051	4.0
136.07611	0.3
137.05995	0.6
137.09657	0.3
145.02856	5.1
145.04910	0.4
145.06578	0.4
149.05960	0.5
153.09122	1.2
159.08099	0.3
163.03923	1.8
163.07544	2.5
177.05475	8.6
181.08560	1.9
205.69859	0.3
215.10489	0.3
243.10210	0.5
248.12892	0.6
261.11349	0.3
264.07956	0.3
289.11005	0.9
290.15112	0.6
292.07196	0.4
307.08832	0.5
307.11865	2.4
307.17621	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1289
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.03939	0.6
55.01869	1.6
67.05484	0.3
69.03416	0.9
69.07063	0.5
69.25302	2.2
69.25716	0.6
72.08134	0.9
79.05482	0.5
81.03426	3.0
81.07027	0.5
85.02888	0.5
89.03886	0.4
91.05482	0.8
93.07040	0.7
94.06557	0.5
95.04983	0.3
97.02914	0.7
98.06033	0.8
98.97554	0.6
105.07012	0.3
107.08578	1.3
108.04464	0.6
109.02888	7.3
114.10284	2.3
115.08685	0.6
117.03388	2.0
117.07025	0.4
119.04977	0.4
121.06486	0.6
122.06026	2.2
123.04420	0.5
124.07591	0.8
127.03932	1.7
129.07024	0.4
129.61198	0.3
131.12927	0.7
132.45526	0.3
133.06502	0.7
134.05968	0.5
135.04425	0.6
135.08095	2.1
135.09059	0.5
136.07564	0.9
137.05962	0.9
138.05469	0.4
140.07057	2.0
140.58249	0.3
145.02855	9.7
146.06004	0.5
147.04489	0.4
148.07599	0.3
149.05971	0.8
150.09125	0.4
153.06993	0.5
156.41013	0.4
159.09206	0.5
160.07607	1.8
161.08318	0.4
162.09186	0.4
163.03902	2.7
163.08694	1.4
164.07034	0.4
167.07083	0.6
168.06540	1.6
172.07681	0.5
173.10745	0.4
174.09193	2.0
176.07053	0.4
177.05467	15.4
177.10228	1.1
178.08633	13.0
182.08139	1.4
184.06165	0.4
184.07634	1.4
185.05939	0.4
187.08719	1.0
188.07082	2.8
188.10736	0.4
189.10249	0.4
191.08159	0.7
192.08830	0.4
196.09697	0.4
198.09149	1.8
199.08653	0.3
200.10796	0.4
201.06529	0.6
201.10295	2.9
202.08615	4.4
204.10295	0.5
205.09756	3.2
206.08192	2.3
212.07048	1.2
214.07327	0.4
216.10324	2.6
217.09819	0.4
219.01808	0.3
219.07774	1.0
219.11296	4.2
220.09659	2.1
225.10272	0.4
226.08665	1.8
228.10182	0.4
229.09734	5.6
230.08159	2.8
234.07594	0.4
243.11232	1.8
244.09703	3.2
247.08209	0.6
247.10794	11.0
248.09181	1.0
248.12898	0.7
254.08070	0.8
261.12357	1.0
262.10785	1.7
265.11841	12.5
271.10782	1.8
272.09177	1.8
284.09274	0.4
289.11829	15.5
290.10138	0.7
290.15039	1.0
292.07278	0.9
307.12891	100.0
307.17578	11.4
308.13144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01878	1.4
55.05521	3.8
57.03431	2.0
60.05652	4.5
67.05507	8.5
69.03416	1.7
69.07073	5.1
69.82485	3.3
71.04996	9.9
72.08157	10.5
73.02891	0.8
74.06064	1.3
79.05067	1.0
79.05499	15.8
81.03403	1.1
81.07063	9.3
83.04977	3.9
85.02896	0.8
85.06529	2.5
87.00806	1.9
87.04461	1.3
89.03919	2.7
91.05473	3.0
93.07051	22.4
95.04982	1.9
95.08614	7.4
97.06550	4.0
97.07647	2.3
99.04428	0.9
105.07016	2.8
107.04946	1.8
107.08588	3.4
109.02874	1.6
109.10159	2.4
111.04420	2.4
112.52843	0.6
114.10297	18.0
115.08720	2.1
117.03384	15.0
118.92802	0.8
121.10156	33.9
123.08057	1.1
125.05988	2.0
131.08569	4.2
131.12926	6.9
134.03636	1.1
135.04353	1.0
137.09601	1.2
139.11183	13.2
145.02855	56.0
149.05994	3.9
149.09633	11.4
157.10966	1.1
157.12245	12.1
161.05876	0.9
163.03932	2.2
167.10689	15.0
177.05481	100.0
185.11682	4.6
187.07480	0.7
199.13341	1.1
203.12878	0.8
205.08745	0.8
220.97516	0.7
243.12308	0.9
247.09753	0.8
247.14371	1.8
248.12846	2.3
253.10585	0.8
270.60654	0.7
271.11838	1.7
289.12186	1.4
289.15598	0.8
290.15021	8.0
307.17661	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05506	0.6
56.06421	0.4
65.03927	0.6
67.05508	1.1
67.31071	0.4
68.99478	0.3
69.03430	1.6
69.07069	0.6
70.71809	0.8
71.04974	0.4
79.05480	2.0
81.03422	8.0
81.07055	2.7
82.48965	0.4
89.03931	0.9
89.68707	0.4
91.05482	2.7
93.07053	1.6
95.08607	0.7
96.08142	1.2
97.02908	0.8
99.04489	0.5
105.07012	0.8
107.04983	0.5
107.08601	1.4
108.08116	0.4
109.02881	18.4
109.06529	0.7
109.10171	0.7
110.09674	0.6
111.04434	0.4
111.08772	0.3
114.10294	0.4
117.03385	1.3
119.04953	0.8
119.08561	0.4
121.06482	0.7
121.10141	0.5
122.06062	2.6
123.06806	1.6
124.07594	10.7
126.09164	4.9
127.03932	4.1
131.04895	0.4
135.04433	1.6
135.08061	1.4
136.07581	56.5
137.05994	1.7
137.07916	0.5
138.09142	55.6
138.32935	0.4
139.09444	0.4
140.07056	0.9
145.02844	4.4
150.05495	0.5
152.07065	17.7
153.09103	0.7
163.03906	8.8
163.07550	0.7
164.07068	100.0
165.05452	1.0
165.07553	0.4
166.05794	0.8
166.08646	0.6
170.08125	5.8
177.05470	4.5
182.08134	27.4
184.09683	0.6
202.21762	0.4
217.19455	0.5
253.21585	0.4
258.09622	0.4
264.07831	0.5
289.15451	5.7
292.07324	0.5
307.08066	3.0
307.12259	0.7
307.16592	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	307.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
69.03426	0.6
69.32706	2.6
77.03957	0.3
79.05492	1.0
81.03424	2.9
81.07051	1.2
85.77693	0.3
91.05485	0.8
92.59476	0.3
93.07039	1.0
94.06557	0.6
94.18012	0.4
96.08140	1.2
97.02909	0.4
108.08118	1.2
109.02882	6.5
109.06559	0.6
122.06036	2.5
123.06801	1.1
124.07610	8.3
126.05503	0.8
126.09155	4.3
127.03917	0.6
135.04465	0.5
135.08105	0.4
136.07579	54.4
138.09143	55.8
139.09442	0.4
140.07060	1.0
145.02892	0.7
150.05630	0.4
152.07069	16.3
163.03963	2.4
164.07071	100.0
165.07454	0.5
170.08131	4.7
175.89487	0.3
177.74864	0.3
182.08136	23.6
216.26851	0.4
264.07755	0.4
289.15457	4.8
292.07040	0.7
299.37671	0.5
307.09225	1.3
307.16437	3.0
308.10010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1764
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
53.26877	0.3
55.01862	0.7
55.05504	0.9
56.96536	0.4
59.79963	0.4
60.05646	5.1
63.02341	0.4
64.66930	0.3
67.05485	0.6
68.24501	0.3
69.07062	0.5
70.06589	0.6
70.94839	0.7
71.04982	0.9
72.08154	11.7
79.05502	1.6
81.03445	0.8
81.07063	1.1
82.85391	0.4
84.08122	0.4
85.02901	0.8
86.09738	0.4
89.03911	3.3
89.10799	0.7
91.05457	0.7
93.07025	1.9
95.08618	0.5
97.07651	2.3
98.06055	1.4
103.05460	0.4
104.72533	0.3
105.07038	0.6
105.39167	0.4
107.08576	0.5
109.02876	1.0
110.02425	0.6
114.10291	18.7
115.05443	0.6
115.08714	2.4
117.03378	16.7
121.10139	2.0
127.03921	0.5
128.06311	0.4
129.06969	0.5
131.04964	0.4
131.12921	7.0
134.03606	0.4
135.04427	1.1
139.11186	1.2
144.05687	0.5
145.02844	61.9
146.03157	0.5
149.05968	4.6
149.09644	0.7
152.07126	0.6
156.05800	0.3
157.10854	1.5
157.12193	0.7
161.06018	0.5
163.03883	2.2
165.06998	0.5
167.10713	0.9
171.12421	0.5
172.05260	0.6
173.05959	0.7
174.06892	0.3
177.05466	100.0
178.05788	0.6
183.08044	0.4
186.05467	0.4
187.07599	0.5
192.07898	0.4
199.07503	0.5
205.08597	1.3
211.07613	0.6
219.10138	0.6
223.09708	0.4
233.08058	0.8
247.09770	0.7
247.14357	2.7
248.12877	3.5
249.11192	0.4
259.09744	1.5
261.11285	0.8
265.15506	0.9
289.10803	1.0
290.14993	7.4
292.15405	0.4
307.17636	85.2
307.67752	0.8
308.18024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1766
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
51.85620	0.3
54.48919	0.3
60.05661	2.3
63.02368	0.5
69.28443	2.8
72.08157	5.5
84.72116	0.3
89.03907	2.2
89.10786	0.4
97.07656	1.4
98.06062	0.9
109.02874	0.5
113.14111	0.3
114.10300	13.1
115.08696	3.3
117.03392	11.4
123.69828	0.3
131.12927	3.2
131.13812	0.4
134.03693	0.7
145.02853	54.0
149.05994	3.7
157.10860	1.4
163.03896	0.8
177.05476	100.0
178.05933	0.5
186.05560	0.4
247.14435	3.0
248.12843	4.2
265.15497	1.0
282.11911	0.3
287.55676	0.3
290.14981	7.9
307.17654	81.3
308.17950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1906
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03941	7.9
53.28833	1.6
55.01886	8.5
55.05267	2.6
55.05516	39.7
57.03433	6.0
57.07072	4.3
67.05508	29.2
69.03435	3.7
69.07077	9.8
71.04981	1.7
71.56925	2.6
79.05502	20.1
80.07928	1.7
81.03429	14.7
81.07062	33.0
83.04990	100.0
83.08618	6.4
85.06530	5.2
91.05495	22.2
91.64234	1.6
93.07047	25.4
95.04987	14.2
95.08620	21.8
97.02917	2.4
97.06522	2.8
97.10178	3.9
98.98468	2.8
99.04465	4.9
105.07040	18.2
107.04975	8.8
107.08612	21.6
109.06524	19.3
109.10165	7.1
110.34483	1.9
111.04443	7.1
117.07042	8.2
119.08591	14.2
121.02866	5.5
121.06509	8.1
121.10159	9.5
123.04420	4.2
123.08102	8.2
123.11732	2.5
125.05975	9.2
125.09595	2.8
128.06264	2.0
129.07028	5.4
131.08606	10.7
133.06497	3.3
133.10129	11.0
135.04396	2.8
135.08060	7.0
135.11736	9.6
137.06015	9.0
137.09630	2.0
138.06302	7.5
139.07521	2.2
143.08557	4.7
145.06488	5.0
145.10118	9.9
147.08058	5.0
147.11685	6.2
149.05991	4.0
149.09644	5.8
149.13290	3.8
151.07539	3.0
151.11134	2.9
157.10133	4.4
159.08054	7.1
159.11679	9.3
161.09616	3.0
161.13199	2.8
163.07588	12.6
163.11218	11.9
165.12769	21.1
169.10149	4.4
171.11745	3.6
173.09636	3.3
173.13350	3.4
177.09154	1.6
177.12778	10.6
179.14159	2.3
183.11794	1.9
185.13445	1.7
187.11209	5.5
189.12782	4.8
191.14322	2.0
197.13208	2.8
201.12732	2.8
203.14381	2.0
205.12247	8.0
205.15846	4.2
207.13817	4.9
215.10852	2.0
219.17450	3.7
233.11787	11.1
233.15417	9.3
243.17485	3.5
251.16600	4.0
253.15903	2.8
257.19040	2.7
261.18576	11.2
271.16968	20.0
275.20120	10.7
289.18018	64.2
289.21487	6.1
307.19034	26.1
307.22684	29.8
307.28192	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	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.53918	3.4
55.01866	15.2
55.05514	34.1
56.60485	4.8
56.96567	9.3
57.02070	3.6
57.03440	92.6
60.22471	3.5
64.52975	3.6
67.05512	48.0
69.03430	4.6
69.07079	18.2
69.66975	25.6
70.07426	5.1
76.89878	3.4
79.05485	32.6
81.07056	53.5
82.07362	4.2
83.04992	82.9
83.08620	12.2
85.06545	9.0
91.05492	54.3
93.07042	41.9
95.04961	15.8
95.08127	4.1
95.08624	37.3
97.06526	8.8
97.10191	7.8
99.04446	12.9
105.07049	40.7
107.04958	98.6
107.08572	21.8
108.05756	5.6
109.06501	38.4
109.10147	16.0
111.04443	45.2
111.08096	5.8
113.05981	7.2
117.07039	25.5
119.08576	26.6
121.06503	17.7
121.10126	12.0
122.03735	4.7
123.08089	8.6
123.11657	6.0
125.05962	11.8
128.06218	6.4
129.07001	17.2
131.08585	30.1
133.06470	16.1
133.10147	21.8
135.08066	23.1
135.11671	13.5
137.05983	56.2
137.09630	8.6
138.06288	38.8
141.06978	8.5
143.08569	12.4
145.06462	8.5
145.10146	21.8
147.08041	15.7
147.11688	9.1
149.05992	12.8
149.09601	6.2
151.07536	11.1
155.08545	9.7
157.10121	11.8
159.08038	20.0
159.11719	12.8
161.09636	13.7
161.13269	7.5
163.07581	10.1
163.11209	16.0
165.12756	4.4
166.13098	6.5
167.05153	3.9
169.10118	9.4
171.11627	7.1
173.09732	9.1
173.13312	4.4
175.11198	5.3
177.09065	8.2
177.12706	26.4
178.13522	4.5
187.11232	5.1
187.14775	11.7
189.12698	9.9
191.14351	5.0
199.11223	7.1
201.09099	8.7
205.15892	17.8
215.14319	12.0
225.16348	5.0
233.15350	60.0
243.17470	13.7
247.04707	4.4
253.15807	8.8
260.09619	3.8
261.02975	14.3
261.18506	38.1
271.16919	31.4
272.76334	3.8
279.03384	11.4
281.96674	5.5
284.03732	3.8
289.18021	100.0
289.21259	8.8
290.21860	6.1
302.04977	9.3
307.09659	3.8
307.18478	4.2
307.24628	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	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03929	4.2
55.01864	9.9
55.05268	2.7
55.05516	39.0
56.96559	9.5
57.03438	33.4
57.07067	5.1
67.05510	37.3
67.05842	4.4
69.03418	8.6
69.07079	11.2
69.91061	9.5
71.04977	2.4
79.05064	3.4
79.05493	34.6
81.03406	7.1
81.07063	26.2
83.04991	5.5
83.08624	19.8
85.06535	3.0
85.38673	2.1
91.05482	22.8
93.07031	19.1
95.04961	7.0
95.08605	16.2
97.06546	4.5
97.10172	26.9
98.97591	3.9
98.98488	2.8
103.05450	3.3
105.07045	17.9
107.04951	17.2
107.08593	22.4
109.02892	3.6
109.06533	10.8
109.10153	13.8
109.44870	2.3
117.07025	13.9
119.08577	14.1
121.02856	3.3
121.06470	10.5
121.10142	8.3
122.43199	2.0
123.08089	3.6
125.09634	24.8
128.06235	2.7
129.06987	4.1
131.04904	5.0
131.08542	9.4
133.06493	2.9
133.10146	7.2
135.08051	24.3
135.11690	3.2
137.02257	2.1
137.05907	2.2
137.09627	6.3
141.00507	2.4
141.06927	2.7
143.08510	3.9
145.06480	5.4
145.10109	5.1
147.08029	5.2
147.11620	2.6
149.09718	4.1
153.09106	6.8
155.08534	3.1
159.08061	57.6
159.11707	3.6
161.09694	3.3
161.13173	3.0
163.03896	3.1
163.07474	5.9
163.11192	3.3
169.10127	4.0
171.10153	4.5
171.11694	6.3
173.09647	9.1
177.09108	4.8
182.17711	2.1
183.11618	2.6
185.09633	4.4
187.11212	2.9
187.14807	6.6
189.11198	11.1
193.12216	3.2
197.13211	4.3
199.11266	2.4
204.29793	2.5
211.11328	3.5
215.14322	12.7
229.54878	2.6
231.13942	2.1
233.15364	27.0
243.17403	4.4
253.15855	9.7
261.02914	2.9
261.18466	3.4
271.16919	39.2
289.17981	100.0
289.21298	5.2
290.70239	2.5
307.09647	8.6
307.18872	11.6
307.24203	2.5
308.92722	2.4
325.81155	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03939	5.9
55.01879	8.8
55.05515	25.9
56.96556	2.2
57.03417	7.2
57.07070	4.0
59.05006	2.7
65.03925	2.9
67.05509	66.6
69.03417	3.7
69.06733	2.3
69.07073	35.4
69.37995	1.9
70.07394	2.1
71.04974	5.4
71.56942	2.2
79.05496	45.7
81.03406	8.1
81.07063	93.4
82.07389	2.2
83.04991	9.2
83.08615	13.8
85.06521	5.2
91.05487	45.4
93.07059	44.4
95.04974	27.6
95.08615	55.8
97.06535	12.3
97.10145	5.6
98.06036	6.1
98.98439	2.9
99.08038	1.9
103.05437	2.6
105.07035	51.4
107.04928	7.8
107.08602	32.4
109.06525	22.3
109.10167	25.4
111.08063	5.1
117.07005	14.4
119.08583	48.6
121.02824	2.4
121.06483	7.2
121.10149	19.6
123.08077	18.8
123.11691	10.7
125.09652	2.9
129.06999	6.1
131.08574	20.6
133.09129	2.1
133.10132	33.5
135.08037	7.6
135.11699	13.3
137.05945	6.4
137.09607	15.2
137.26776	1.8
138.06297	5.4
139.11140	2.4
141.07004	2.1
143.08562	4.0
145.10159	20.6
147.11699	23.3
149.05923	2.0
149.09645	15.3
149.13258	5.7
151.11160	5.8
155.08534	2.9
157.10104	5.6
159.11713	14.8
161.13286	9.6
163.11171	7.1
165.12732	5.9
169.10149	4.3
171.11649	3.6
173.09630	2.2
173.13316	11.2
175.11180	3.8
177.12698	4.4
183.11713	5.0
185.13257	4.4
187.14833	2.7
191.14279	3.9
193.12326	2.1
195.11780	2.8
197.13269	3.9
198.58719	2.2
201.12749	2.5
201.16354	2.1
207.13750	3.4
209.13072	2.0
215.17995	2.3
219.13802	2.7
219.17445	9.9
225.49251	1.9
229.19469	3.4
233.15382	4.0
235.16966	1.9
237.16367	3.1
239.17999	5.8
247.20570	7.8
257.19028	11.6
261.03021	3.4
275.20074	100.0
289.18256	3.6
289.21552	13.5
307.22626	44.5
307.28217	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
54.29312	2.5
55.01888	2.5
55.05518	18.7
57.03430	3.9
57.07070	4.9
67.05173	3.7
67.05508	57.7
69.07068	17.9
71.04980	5.0
71.39564	5.5
78.04701	2.7
79.05499	30.2
81.03407	8.0
81.07059	41.8
83.04979	12.8
83.08608	7.0
85.06527	4.6
91.05484	34.8
93.07056	30.9
94.09222	2.6
95.04942	6.9
95.08611	35.9
97.06522	2.8
97.10112	3.6
98.98439	3.1
99.04505	2.9
105.07038	42.7
107.04935	3.6
107.08598	21.7
109.06534	7.0
109.10159	24.8
111.08118	3.7
117.07015	12.7
119.08595	42.4
121.06500	4.6
121.10168	13.6
123.08026	6.1
123.11716	5.3
123.64577	2.5
125.09639	3.8
131.08559	16.1
133.10141	50.7
135.08025	7.3
135.11650	7.1
137.05954	8.6
137.09615	14.0
137.13165	2.8
138.06354	4.8
139.11185	3.3
145.10086	13.7
147.11690	20.7
149.09587	6.2
149.13258	4.3
157.10158	4.8
159.11720	16.3
161.13339	5.9
163.11168	5.6
165.09093	2.8
169.10164	3.1
171.11754	3.1
173.13246	8.3
175.11237	4.1
177.12794	6.5
197.13191	3.1
203.07669	2.6
219.17426	5.8
226.72189	3.0
229.19464	5.5
239.17941	6.3
247.20537	7.4
257.18973	10.4
275.20074	100.0
289.21515	6.0
307.22821	13.5
307.26196	3.5
319.67160	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.92547	0.8
53.03403	0.8
53.03940	1.6
54.49304	0.9
55.01860	3.6
55.05271	1.0
55.05515	12.8
56.96563	0.9
57.03435	1.4
57.07076	6.1
59.05004	1.0
65.03913	1.3
67.05507	25.2
69.03425	2.2
69.06728	1.3
69.07069	18.5
69.28531	7.6
71.04996	1.8
71.08624	3.1
79.05501	16.7
81.07058	33.9
83.04982	7.2
83.08612	5.5
85.06532	2.4
85.10168	1.0
89.39823	0.8
91.05482	16.9
93.07045	22.2
95.04974	7.5
95.08608	19.4
97.06521	4.4
97.10164	2.8
98.97575	1.0
98.98461	1.0
105.07031	23.9
107.04951	6.0
107.08591	15.7
109.06522	9.1
109.10149	12.5
117.07030	7.0
119.08589	12.7
121.06506	8.1
121.10130	9.0
123.08105	5.7
123.11716	2.8
125.09595	1.4
129.07024	2.5
131.08562	13.5
133.06487	3.1
133.10143	15.4
135.08083	4.3
135.11691	6.5
136.93126	1.3
137.05963	3.4
137.09607	2.8
137.13208	1.2
138.06268	1.9
141.06982	1.3
143.08556	1.3
145.06493	1.7
145.10139	12.0
147.08060	3.3
147.11694	11.1
149.09627	4.9
149.13295	2.7
151.11153	7.9
154.94157	3.2
155.08549	2.0
157.10143	3.2
159.08058	1.5
159.11685	6.5
161.09630	2.4
161.13260	2.6
163.11205	8.2
163.14909	0.9
171.11729	1.6
172.95206	1.7
173.09665	2.4
173.13223	6.6
175.11200	2.5
175.14778	1.2
177.12769	2.9
183.11705	3.3
185.13278	1.4
187.11162	1.7
187.14769	1.3
189.12717	2.1
191.14319	3.0
197.13228	1.5
199.14827	1.1
201.12744	3.6
203.14240	0.9
205.19518	1.2
207.13852	3.2
215.17873	1.4
219.13861	5.7
229.19516	2.8
231.17375	1.4
233.15292	1.9
239.17973	3.1
247.20676	4.2
257.19000	13.4
275.20074	100.0
289.21680	4.0
307.09888	1.0
307.13565	3.2
307.22690	56.5
319.01147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.4
55.01866	17.6
55.05510	36.6
56.96566	11.5
57.03437	17.0
57.07084	16.4
58.38138	6.8
67.04588	6.7
67.05510	57.9
69.07072	38.2
69.50739	45.6
79.05499	70.6
79.07700	8.6
81.03430	17.2
81.07062	100.0
83.05005	10.1
83.08604	20.3
85.06557	10.9
91.05476	49.1
93.07051	68.1
95.04976	14.4
95.08627	52.1
97.06526	31.0
97.10189	14.6
98.97589	13.6
99.04494	9.2
105.07039	70.7
107.04979	28.4
107.08601	34.8
109.06541	34.8
109.10189	21.7
117.07006	26.1
119.08629	44.3
121.10159	21.9
123.08013	12.0
125.09611	10.6
131.08571	37.8
133.10165	28.3
135.11687	16.5
137.06006	21.8
138.06303	14.6
145.10132	20.2
147.11673	25.1
149.09628	15.6
159.11728	24.9
161.15288	7.3
163.11172	8.7
173.13219	7.5
177.12755	18.9
179.14323	8.3
187.11201	11.6
193.12363	9.3
209.15303	11.4
219.17455	71.6
247.33632	7.5
261.03018	11.6
275.20087	78.9
286.14542	13.1
301.53485	9.2
307.22559	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	307.2633
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
52.75526	3.1
53.03954	6.5
53.91875	2.8
55.01859	3.6
55.05510	28.3
56.96555	12.5
57.03440	6.4
57.07067	15.0
59.04994	11.6
67.05518	41.3
69.03433	9.1
69.07073	39.2
70.09617	6.5
70.10015	7.9
71.04995	16.2
79.05489	21.1
81.03419	7.3
81.07064	95.2
83.04973	8.7
83.08614	14.0
85.06532	8.6
91.05486	31.3
93.07051	70.1
95.04951	8.4
95.08614	100.0
96.08901	8.2
97.06520	12.6
97.10158	14.5
98.21437	4.5
98.97586	25.3
99.08094	3.9
105.07044	32.9
107.04947	6.4
107.08609	62.5
109.06525	8.1
109.09465	5.1
109.10168	81.2
110.97582	6.0
111.04469	3.1
111.08096	7.0
111.11716	5.5
112.99165	4.4
116.98653	9.8
117.07005	5.7
119.08583	30.6
121.02854	5.9
121.06496	29.1
121.10143	41.9
123.08099	6.1
123.10938	3.9
123.11717	35.3
125.09628	12.0
127.07526	4.4
127.11214	24.6
128.98576	5.3
131.08569	15.9
131.59459	3.8
133.10152	25.6
135.08095	5.3
135.11726	28.3
137.05972	5.2
137.09662	6.1
137.13261	17.5
138.13657	4.4
139.11197	6.4
143.10667	12.4
145.10114	13.2
147.08034	5.9
147.11691	21.7
149.09615	3.7
149.13275	49.0
151.14838	12.4
153.12720	3.9
154.35844	3.5
158.99670	7.9
159.08032	8.3
159.11740	8.4
161.13277	15.2
163.03894	12.6
163.07570	6.0
163.14830	12.5
170.99692	7.0
173.09535	4.3
173.13298	7.3
175.14809	8.2
177.00713	6.7
177.12732	3.9
177.16425	7.0
187.14821	12.7
189.00693	5.4
189.16472	4.0
191.02304	4.7
191.17989	8.5
201.16447	7.6
203.17987	25.4
205.19533	10.5
213.05467	4.7
215.17816	5.5
217.19566	7.5
231.21046	9.9
237.60651	4.2
244.99745	5.0
265.12097	3.9
265.62164	22.2
266.12286	4.2
271.16931	5.4
271.24234	25.0
286.13312	5.2
289.18109	20.3
289.25275	29.4
291.03955	5.2
307.15656	6.0
307.18884	19.6
307.26328	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	308.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26625	0.4
69.03437	0.4
69.51571	0.9
69.51975	2.4
75.75092	0.4
85.07265	0.5
87.04475	58.2
91.05479	1.6
92.04997	0.5
95.42401	0.4
101.60196	0.4
116.04984	1.4
117.05782	1.1
118.06545	4.5
130.87561	0.5
132.08128	1.1
144.04453	5.3
146.06024	14.1
162.05530	4.7
172.03960	1.7
175.65672	0.4
176.05551	0.6
176.07077	6.8
178.08649	35.8
190.05017	4.3
204.06575	5.1
222.07637	8.5
248.09294	0.6
262.10825	2.8
264.12302	9.6
269.46735	0.5
276.08676	1.5
290.10315	4.8
308.11301	100.0
309.11487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10926	0.3
65.03954	0.5
69.03426	0.8
71.56551	0.7
73.02938	0.4
74.81947	0.3
76.02235	0.5
77.86191	0.4
78.44487	0.3
81.07060	0.3
85.02897	0.4
87.04472	63.4
91.05466	1.7
92.04980	0.5
98.21230	0.4
116.05003	1.2
117.05747	2.6
118.06544	6.3
121.06644	0.4
132.08118	0.7
134.06000	0.8
134.09656	0.7
144.04445	6.5
146.06017	16.2
162.02316	0.4
162.05511	5.2
172.04001	2.2
176.07072	7.7
178.08640	36.3
190.05016	4.4
192.92039	0.4
204.06555	6.4
222.07620	9.8
248.09250	1.0
262.10779	3.1
264.12311	10.2
276.08636	1.0
290.10196	4.5
308.11292	100.0
309.11636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.6
55.24836	1.2
58.99577	3.2
59.04996	1.7
59.47400	1.1
67.05503	5.7
69.03413	4.4
69.07056	5.2
69.78234	5.5
70.44761	1.1
71.04993	15.3
74.00657	3.9
76.02235	1.4
79.05498	7.9
81.07059	22.9
83.04977	3.6
85.06528	1.4
86.00649	6.0
86.99037	3.1
87.02693	3.3
88.02225	18.6
88.03993	11.9
93.07034	5.4
95.04967	4.7
95.08579	3.3
97.01110	2.1
97.06503	2.1
98.21443	2.4
99.02673	3.7
99.08106	7.2
103.02194	1.2
105.00095	2.4
105.07053	6.1
107.08606	9.9
109.06500	6.3
109.10161	16.2
111.02661	6.8
111.08047	1.7
113.04239	4.2
114.03793	1.9
115.02173	8.1
119.01667	1.4
119.04963	3.1
121.10102	5.6
122.02714	3.4
122.13972	1.2
123.11732	12.5
125.04234	1.4
125.09618	5.0
127.11227	2.0
128.05305	11.6
129.03696	3.4
132.01144	11.6
132.99498	1.3
133.10126	6.4
134.02745	6.1
135.11708	2.2
139.05753	1.4
139.11180	4.0
140.05289	11.2
141.03699	11.0
143.10730	1.5
147.04404	11.1
149.09671	1.5
151.11186	27.2
155.08907	2.1
165.07416	1.8
169.12251	14.5
174.05869	13.3
175.04237	2.1
183.08385	4.3
185.09967	1.4
186.05853	24.7
187.04228	12.5
201.09454	25.7
209.09978	3.6
226.12573	9.2
227.11053	4.7
247.25229	1.2
254.12032	6.8
255.10574	3.3
272.13162	100.0
273.11462	5.8
290.14206	21.8
291.12720	4.6
308.15271	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.0
58.99578	2.5
59.04997	0.9
63.83091	0.7
67.05486	1.2
69.03416	2.4
69.07059	1.2
71.00838	1.9
71.04999	9.1
74.00661	1.8
75.02702	1.0
76.02216	1.6
79.05485	3.3
81.07063	12.4
83.04983	2.2
85.01151	0.9
86.00675	5.6
86.58263	0.7
87.02714	1.6
88.02218	8.5
88.03999	5.7
91.05470	1.4
93.07026	2.4
95.08610	1.1
96.76673	0.8
97.01101	1.7
97.06527	2.1
99.02673	2.1
99.07543	1.0
99.08097	8.1
103.02210	0.9
105.00111	1.3
105.07040	2.8
107.07346	1.0
107.08609	5.6
109.06523	2.4
109.10169	6.7
111.02681	3.0
111.08084	1.1
113.04213	4.2
114.03780	1.7
115.02145	5.9
121.10149	2.6
122.02737	1.6
123.11739	6.9
125.09622	3.4
127.11180	2.0
128.05328	10.2
128.06204	1.5
129.03696	2.0
132.01163	8.1
133.10112	2.9
134.02710	2.8
135.11746	1.3
139.11221	1.9
140.05307	10.4
141.03706	10.6
147.04381	2.5
151.11182	13.8
153.12819	1.4
165.07410	1.2
169.12288	8.4
174.05861	10.8
175.04041	0.9
183.08394	2.1
186.05861	24.0
187.04265	11.6
197.52335	0.9
201.09464	7.2
206.04333	0.9
209.09880	1.3
219.10469	0.9
226.12689	7.3
227.11043	3.6
254.12080	3.0
255.10469	2.9
272.13156	100.0
273.11349	4.1
290.14169	15.6
308.15277	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	308.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29628	0.7
55.05497	1.4
58.99573	2.8
59.04991	1.1
67.05495	2.8
69.03420	3.3
69.07063	0.9
69.57261	0.7
69.72901	2.6
69.73313	1.8
71.04996	10.3
74.00645	1.3
76.02242	0.9
79.05512	5.1
81.07070	12.7
83.04968	2.9
85.01134	1.0
85.06521	0.8
86.00658	4.8
86.99063	0.9
87.02683	2.9
88.02226	10.4
88.03996	9.2
93.07043	2.9
95.04970	1.0
95.08623	1.4
97.01115	1.7
97.06536	2.2
99.02657	2.2
99.08097	8.0
102.03780	1.8
103.02165	0.9
105.07030	2.4
107.05011	1.0
107.08607	7.2
109.06547	3.6
109.10173	7.0
111.02666	1.0
111.08096	1.3
113.04179	3.9
114.03752	2.1
115.02146	6.8
117.93156	0.7
121.10146	1.8
122.02711	1.9
123.02676	0.8
123.11708	8.1
125.09629	2.6
127.11180	2.4
128.05305	9.9
129.03706	3.1
132.01146	7.2
132.99535	1.4
133.10199	1.5
134.02708	2.9
139.11195	2.6
140.05301	9.5
141.03703	9.4
147.04532	0.8
151.11195	12.6
153.12798	1.1
155.10617	0.8
165.07349	1.3
168.52145	0.7
169.12242	8.5
174.05878	13.8
175.04283	1.5
183.08423	2.7
186.05867	25.7
187.04268	13.1
201.09453	6.6
209.10001	1.5
226.12617	8.3
227.11070	3.8
254.12141	1.9
255.10489	3.0
272.13168	100.0
273.11472	5.0
290.14236	18.4
308.15314	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	308.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20021	1.0
55.05508	4.5
57.07064	1.3
58.99573	4.7
64.12066	1.1
67.05483	3.7
69.03438	7.2
69.07059	3.4
70.02958	1.4
71.04996	14.8
71.39899	1.8
74.00658	4.0
74.11526	1.1
76.02223	3.7
79.05505	7.3
80.34576	1.1
81.07064	22.2
83.04969	4.4
83.08614	1.3
84.04506	1.5
85.02922	1.5
85.06541	1.7
86.00655	7.2
86.99047	2.5
87.02676	3.5
87.04462	1.2
88.02221	14.1
88.03987	8.0
91.05482	3.8
93.07036	7.5
95.04973	4.5
95.07363	1.3
95.08595	3.8
96.08103	2.1
97.01107	1.8
97.06548	3.5
98.97594	1.8
99.02673	3.2
99.08102	7.9
100.02184	1.9
102.03776	2.1
105.07018	5.0
107.04951	1.7
107.08601	8.8
109.06541	6.8
109.10172	15.4
111.02663	7.2
111.08085	2.4
111.11709	1.2
113.00589	1.6
113.04228	3.8
114.03786	1.6
115.02180	8.0
121.06491	2.2
121.10141	5.2
122.02708	4.1
123.11714	10.6
125.04205	1.7
125.09628	3.4
127.11164	2.5
128.05313	10.2
129.03712	2.0
132.01181	9.4
132.99561	1.9
133.10146	9.4
134.02707	4.3
137.05952	1.5
140.05310	10.0
141.03696	8.1
141.39388	1.2
146.06001	6.0
147.04399	3.6
151.11195	30.7
152.36436	1.3
153.12738	1.8
163.03915	1.2
165.07297	2.2
169.12244	14.4
173.10037	1.3
174.05872	12.6
183.08455	3.9
186.05849	26.7
187.04237	11.8
193.29442	1.1
194.97429	2.5
200.07318	1.7
201.09433	15.2
212.98483	1.6
219.10516	4.9
226.12598	9.5
227.11012	4.7
241.10744	1.1
254.12306	6.7
255.10513	2.2
272.13168	100.0
273.11362	5.8
290.14249	28.1
308.11661	2.4
308.15247	42.5
329.48340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.0
56.96576	1.6
57.03433	2.2
57.07072	5.2
57.20812	1.7
60.42366	1.2
67.05508	18.6
69.03452	1.6
69.07072	7.8
70.97920	2.2
71.04999	2.5
79.05488	8.6
81.07061	21.3
82.32074	1.3
83.04980	4.4
83.08631	1.2
85.06500	1.2
86.09702	1.5
87.04470	1.9
91.05498	19.5
91.60516	1.3
93.07070	13.7
93.96421	1.2
95.04972	1.6
95.08623	3.9
104.10754	2.4
105.03387	2.0
105.07040	28.3
107.08598	30.2
109.06541	3.7
109.10164	49.1
121.10188	1.4
123.04427	1.3
123.11684	4.6
127.07545	1.2
131.08582	1.8
133.10143	100.0
138.06264	1.2
142.19786	1.3
151.11195	97.1
152.63033	1.4
161.75664	1.4
169.12273	17.9
184.07481	1.3
207.11223	1.3
308.19550	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	308.1857
Annotation	6-Hydroxydendroxine
Peak:m/z	Relative Intensity
51.02390	0.3
51.67280	0.2
53.00313	0.2
53.03953	0.9
55.01872	2.5
55.05512	0.9
56.05024	0.3
57.03434	0.6
57.05809	0.3
60.04522	0.4
64.17181	0.2
65.03947	0.7
67.05503	1.9
69.03438	0.3
69.07069	14.6
69.65130	0.5
69.65533	1.0
79.05492	5.0
81.03422	5.0
81.07063	1.4
83.04984	3.6
84.08153	1.7
86.09708	79.3
89.47659	0.2
91.05482	17.3
93.06464	0.6
93.07047	10.3
95.04971	3.9
97.06538	1.0
98.20850	0.5
98.21461	0.5
103.05495	0.4
105.03436	0.4
105.07028	6.7
107.04958	7.2
107.08598	4.1
109.02879	7.4
109.06528	2.1
111.04455	1.4
111.08028	0.2
112.07637	0.6
115.05453	2.4
116.06256	0.6
117.07018	34.0
119.04929	0.9
119.08585	7.4
121.02863	0.8
121.06497	3.0
121.10130	1.2
123.04433	13.9
127.03907	0.4
128.06250	1.8
128.10719	8.1
129.06995	1.8
131.04918	0.9
131.08569	16.0
132.10136	0.4
133.06480	2.5
133.10133	6.0
134.09612	0.3
135.04417	0.6
135.08057	33.3
135.11700	4.0
141.06992	1.8
143.08551	3.1
144.05721	0.7
145.06485	7.2
147.04425	0.5
147.08038	0.2
149.05907	0.2
149.09618	6.0
151.11194	1.1
158.09711	0.6
159.08060	23.1
161.05977	1.0
161.09624	3.7
161.55299	0.2
163.03914	1.1
163.07549	23.8
164.04298	0.7
169.06488	2.4
169.07695	0.3
176.10699	2.2
177.09114	18.9
178.12277	0.9
179.10640	1.5
181.08583	4.3
181.09985	0.3
187.07544	14.6
188.10674	0.4
194.11801	0.5
195.10252	1.2
204.10219	1.1
205.08603	100.0
206.08949	1.0
208.13329	0.9
222.11241	3.0
223.09698	0.9
244.16988	4.8
246.18542	3.0
248.16515	1.9
262.18057	4.2
272.16428	4.2
290.17511	36.1
291.17706	0.4
308.18555	21.0
309.18784	0.2
321.20657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2221
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.01892	0.2
55.05504	0.4
56.96556	0.7
57.07067	0.6
58.02968	0.3
66.04700	0.3
67.05494	0.6
69.07060	0.8
71.08626	0.5
71.54827	0.3
79.05490	0.9
81.07046	1.9
85.10154	0.2
88.07630	0.3
91.05493	1.0
93.07057	0.4
94.04171	1.6
94.12516	0.2
95.04956	0.3
95.08620	1.2
97.06530	0.2
97.99168	0.2
99.08070	0.4
100.02486	0.2
107.04955	0.4
107.08616	0.4
107.54494	0.2
109.06519	0.7
109.10180	0.4
114.09200	0.3
122.03648	5.3
128.10651	0.3
135.11668	0.3
137.05983	100.0
137.13252	0.6
138.06332	0.5
150.87630	0.2
155.14366	0.3
161.31201	0.2
165.12721	0.4
172.16942	1.2
184.16989	3.3
263.53821	0.2
267.67593	0.4
276.67947	0.3
285.68646	0.5
288.18747	0.3
291.23251	1.0
296.16028	0.2
308.22366	0.6
308.25858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.05510	0.5
55.44315	0.3
69.03436	1.6
79.05495	0.9
83.04990	3.1
85.02886	1.2
89.03918	4.7
91.05485	0.3
97.02884	1.3
107.04964	1.8
111.04457	2.4
115.18266	0.4
117.03381	8.8
119.04900	0.6
123.04436	1.0
125.75617	0.3
127.03912	0.3
129.05463	0.4
129.07002	1.4
131.04868	0.4
135.04427	16.8
145.02849	17.0
147.04420	2.9
149.05951	0.4
157.06525	0.4
161.06000	0.4
163.03911	100.0
164.04266	0.9
177.05470	7.6
178.07721	0.4
181.04988	0.5
189.05412	0.3
206.07310	0.4
217.04993	1.2
219.06419	0.4
221.09653	0.6
234.06885	0.9
249.09094	1.3
251.07054	0.6
262.06082	0.4
273.07535	1.0
277.08514	0.7
281.11771	2.5
291.08551	3.1
294.09030	0.4
309.10617	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
57.03439	0.7
62.97968	0.3
65.03934	0.6
69.03444	3.6
69.51504	1.3
69.51926	1.1
71.01370	0.4
71.04993	0.4
81.03410	1.4
81.03860	0.3
82.31400	0.3
85.02911	2.6
91.05489	7.3
93.54807	0.3
97.02905	10.9
99.04459	0.7
102.02097	0.3
109.02890	0.8
117.03384	0.5
119.04955	22.5
127.03945	1.0
129.06966	0.4
145.02853	2.0
147.04427	100.0
148.04773	0.6
163.03915	0.8
165.05515	3.2
177.05490	3.9
209.48376	0.4
212.05263	0.4
212.55315	0.4
221.05869	0.4
221.09534	0.3
273.06683	0.3
277.08652	0.3
279.37531	0.3
281.11743	0.5
291.08743	1.7
294.08902	0.4
306.64481	0.4
309.09521	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
57.03428	0.9
57.48995	0.3
65.03934	0.4
68.89380	0.3
69.03432	4.0
69.73422	1.8
71.01363	0.5
71.04996	0.4
74.35996	0.3
81.03426	1.6
85.02911	2.6
91.05489	8.2
97.02900	9.7
99.04442	0.8
101.02365	0.5
108.49085	0.3
109.02895	0.6
117.03452	0.4
119.04954	21.5
123.04427	0.3
127.03940	0.9
127.66571	0.3
145.02834	0.4
147.04420	100.0
148.04771	0.7
163.03923	2.8
165.05495	3.2
177.05482	0.4
185.09482	0.3
192.37996	0.3
261.44287	0.3
287.94144	0.3
291.08722	2.0
309.09671	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51504	0.3
65.49903	0.3
69.03435	3.5
70.86547	0.8
81.03452	0.3
83.04977	0.5
85.02926	0.8
88.69449	0.3
89.03922	4.8
89.07936	0.3
90.77674	0.3
91.05446	0.3
96.64310	0.3
96.91868	0.3
97.02903	13.6
103.05431	0.3
107.04971	0.5
115.03968	0.4
117.03390	17.5
119.04951	0.7
123.04448	0.5
127.03916	0.4
131.04944	0.5
134.03676	0.8
135.04439	4.2
137.05989	0.7
145.02855	49.5
146.03223	0.3
147.04384	2.2
149.05997	5.2
150.06380	0.3
163.03923	22.9
163.36850	0.4
167.03406	0.4
177.05482	100.0
178.05806	0.5
186.05470	0.5
189.05481	0.6
195.06532	2.7
206.10550	0.4
227.07109	0.7
245.08119	0.6
273.07504	2.5
281.11630	0.4
291.08652	3.6
309.09647	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46049	0.4
53.03937	1.3
55.05512	0.6
57.03433	1.0
63.32137	0.4
65.03957	1.0
67.05518	1.1
69.03144	0.5
69.03438	6.6
70.35110	1.5
71.01363	0.5
71.04984	1.4
79.05489	0.8
81.03426	3.1
81.07030	0.9
82.40327	0.5
83.04984	1.4
84.08138	1.2
85.02911	5.3
87.04470	0.7
89.03922	4.1
91.05487	9.5
93.07072	0.6
95.04968	1.0
95.08600	1.0
97.02897	36.3
99.04443	0.6
101.02435	0.5
105.07079	0.9
107.04964	0.6
107.08556	0.5
109.02891	2.5
109.10155	0.6
111.04431	0.8
117.03388	9.4
117.07059	0.5
119.04947	21.0
119.08589	0.6
121.06503	1.3
123.04382	0.6
127.03909	1.3
128.06290	0.5
129.05505	0.8
131.08522	0.7
134.03772	0.5
135.04427	5.8
145.02855	20.7
147.04419	100.0
149.05986	2.6
153.05554	0.4
163.03917	32.8
164.07133	0.7
165.05507	2.4
167.03387	0.8
175.35184	0.4
177.05479	33.4
186.05548	0.5
227.06908	0.6
269.12662	0.5
273.07629	0.5
273.18698	0.8
291.08636	5.7
291.19678	0.7
309.09470	5.8
309.20596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.3
50.36656	0.3
57.67747	0.3
59.57107	0.3
64.84629	0.3
69.03437	2.7
70.43266	0.3
70.58511	0.9
80.13794	0.3
81.07066	0.5
85.02922	0.9
89.03925	3.7
91.05495	1.2
95.08633	0.6
97.02901	19.9
106.04192	0.3
115.03918	0.4
117.03388	15.1
119.04974	1.7
134.03638	0.8
135.04420	1.3
137.06013	0.7
145.02856	49.1
146.03226	0.4
147.04416	6.2
149.05995	6.1
151.03946	0.5
163.03918	2.3
167.03363	0.3
177.05479	100.0
178.05815	0.8
186.05507	0.8
189.05450	0.5
195.06523	2.6
213.05573	0.3
227.07005	0.6
245.08075	0.5
249.09134	0.5
273.07574	3.2
277.08478	0.6
281.11731	0.5
291.08636	3.2
309.09521	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.05501	2.7
57.03439	10.5
57.28797	0.7
59.04994	1.5
59.18439	0.7
61.02917	2.1
69.03429	4.8
69.71848	1.7
69.72267	3.1
70.46011	0.8
70.69939	0.7
71.01343	1.5
71.04995	22.7
73.02915	5.4
75.04484	13.8
77.62111	0.7
81.03416	0.9
81.07025	1.3
83.04971	5.5
85.02907	88.8
86.00594	1.0
87.04477	2.5
87.60060	0.7
88.12371	0.8
91.05479	6.8
91.80952	0.8
97.02906	3.7
98.20748	1.5
98.21341	1.9
99.04466	1.3
99.12859	0.8
101.05958	0.9
103.03957	1.1
107.04995	1.0
111.04433	3.0
119.04953	17.0
124.12013	1.0
124.36048	0.8
127.03909	4.7
129.05486	23.4
131.76689	0.7
131.99870	0.9
135.04327	1.0
145.04987	1.4
147.04413	100.0
147.06325	12.8
152.11501	1.4
158.76132	0.9
163.03912	1.8
165.05440	0.9
172.93190	0.7
187.06174	1.5
201.09366	1.0
202.09760	1.6
239.72951	0.7
273.13501	7.0
277.21774	0.7
291.14423	2.0
309.09750	2.5
309.15479	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	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05503	1.2
56.14973	0.4
57.03436	4.8
57.46455	0.4
61.02913	1.2
65.03926	0.8
67.05487	0.7
69.03447	2.9
69.15927	0.4
69.64977	0.6
69.65387	2.5
70.06615	0.4
71.01327	0.6
71.05000	11.6
72.25533	0.4
73.02924	2.3
75.04488	7.1
81.03442	0.7
83.04988	2.9
85.02911	47.7
87.04479	1.0
91.05481	6.5
95.04966	1.3
97.02899	2.9
97.42268	0.4
98.21516	0.6
99.04456	1.2
101.06014	0.6
107.04963	16.5
109.02897	0.9
111.04462	2.8
113.08485	0.4
119.04955	19.9
127.03917	1.8
129.05493	12.2
135.04413	0.4
137.03487	0.4
139.03967	0.5
145.04982	0.6
147.04422	100.0
147.06500	8.6
148.04788	0.5
163.03934	0.6
163.06000	0.5
165.05571	0.6
171.06537	0.6
221.93393	0.4
255.49519	0.5
309.09470	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	309.2058
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.03937	4.8
55.01863	6.5
55.05296	2.0
55.05520	20.6
57.03441	19.3
67.05513	18.4
69.03437	3.2
69.07077	8.2
70.01476	8.5
71.04990	3.5
79.05053	2.4
79.05496	28.9
81.03441	2.7
81.07066	39.5
83.04982	3.4
83.08617	10.5
85.06548	4.0
86.52314	1.5
89.72996	2.0
91.05494	20.7
93.07066	16.1
93.26169	1.5
95.04974	7.5
95.08627	10.6
97.06544	4.0
97.10178	16.5
98.21234	3.9
99.08122	3.2
105.07029	13.2
107.04960	15.2
107.08589	12.7
109.06542	13.1
109.10159	6.4
111.08057	2.8
117.07047	15.3
119.04960	3.3
119.08591	29.4
121.06532	6.5
121.10178	3.8
123.08068	7.7
125.09647	14.7
129.07022	5.6
131.08586	9.3
133.06538	3.3
133.10155	6.4
135.08026	9.1
135.11646	2.0
143.08578	3.5
145.10143	11.3
145.29056	1.8
147.04468	3.1
147.08055	16.5
147.11707	4.0
149.09641	4.2
153.09166	3.4
157.10156	6.5
159.08072	4.1
159.11688	4.0
161.09659	3.0
163.03981	2.6
163.11188	4.2
169.10126	2.2
171.10193	3.1
171.11670	3.4
171.25644	1.9
173.09639	2.1
173.13301	4.3
175.11148	3.2
183.11691	2.3
189.11316	8.5
189.12714	1.8
191.14326	2.4
199.11244	1.8
201.12971	2.2
217.16014	2.5
219.13873	7.0
219.94693	1.7
223.13289	3.5
227.18010	2.3
235.16994	2.7
235.92094	1.7
245.19070	2.0
249.14812	4.6
255.17567	4.8
273.18542	35.5
291.19608	76.7
292.20291	1.9
297.62952	1.7
309.20386	100.0
327.20261	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	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03960	14.7
55.01886	8.6
55.05266	2.0
55.05519	25.5
55.92971	1.1
56.96560	2.6
57.03441	7.0
59.04982	1.3
65.03950	2.9
67.05171	2.3
67.05511	37.8
69.03432	3.7
69.07077	14.9
71.04996	7.9
79.05058	2.8
79.05503	35.6
81.03426	32.5
81.03852	1.0
81.07066	74.1
83.04989	11.4
83.08620	12.7
84.80224	1.4
85.02908	4.5
85.06538	1.7
86.09711	8.4
87.10036	4.1
91.05494	21.1
93.07051	29.6
94.07388	2.2
95.04972	13.1
95.08618	24.3
97.02878	2.4
97.06526	8.8
97.10187	14.8
98.21126	7.9
98.97597	2.4
99.04480	1.7
99.08109	4.1
103.05447	1.6
105.07043	16.6
107.04984	10.1
107.08606	19.5
109.02875	1.5
109.05783	2.9
109.06534	49.2
109.10172	10.0
111.04451	7.2
111.08082	7.5
113.05982	3.4
115.05462	1.5
117.07030	11.2
119.04947	7.7
119.08609	11.2
121.06528	9.7
121.10163	10.4
123.08078	22.7
123.11745	2.4
125.09641	13.1
128.06296	1.4
129.07018	4.9
131.08585	15.1
132.10201	2.6
133.06520	4.2
133.10068	8.4
135.04478	1.7
135.08069	24.9
135.11717	13.1
136.12007	1.4
137.09637	3.8
141.06989	3.1
143.08568	5.7
145.02846	2.6
145.06503	3.6
145.10110	11.2
145.10980	1.1
147.04431	25.7
147.08051	3.9
147.11723	5.9
149.09604	6.7
149.13264	4.1
153.09138	2.3
153.12784	2.7
157.10144	5.0
159.11699	9.5
161.09650	5.4
161.13258	1.3
163.03909	7.3
163.11186	11.7
165.09132	2.1
167.10750	1.5
169.10155	3.7
171.10233	2.2
171.11725	3.9
173.09628	1.6
173.13316	1.8
175.11223	3.6
177.05469	3.4
177.12767	5.3
181.12282	5.5
183.11559	2.1
185.13289	1.7
187.11214	3.7
188.96931	1.8
189.11256	10.9
189.12743	2.4
191.10687	2.9
193.12274	3.4
195.13753	1.9
199.14937	1.4
201.12827	1.6
211.13222	3.2
217.15930	10.3
219.13931	2.0
223.13391	3.2
227.12706	1.9
227.18094	2.0
228.98164	1.2
237.16533	1.4
245.19162	2.6
255.17522	4.5
273.18515	25.8
291.19559	100.0
309.11130	1.2
309.17383	5.6
309.20407	21.1
327.18274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	1.5
55.01887	3.6
55.05512	22.2
57.03424	1.6
59.05003	0.7
65.03931	1.2
67.05508	27.7
68.05850	1.1
69.03435	3.5
69.07072	11.7
71.05001	1.1
71.57087	0.8
72.17426	0.6
72.49795	0.7
79.05498	15.0
81.03415	3.1
81.07062	28.4
83.04974	2.5
83.08624	9.2
84.89182	0.7
86.09689	0.9
86.24069	0.7
91.05478	7.7
93.07050	11.5
95.04999	4.8
95.08053	1.2
95.08613	16.9
97.02866	1.2
97.06538	1.9
97.10174	14.9
98.98472	0.8
105.07038	8.2
107.04939	2.2
107.08609	8.3
109.02892	1.4
109.06511	2.4
109.10159	7.8
111.04430	1.5
111.08083	0.7
117.07011	2.4
119.04987	1.7
119.08608	6.6
121.06496	2.4
121.10152	3.7
123.04382	1.0
123.08077	5.7
123.11710	1.9
125.09632	10.0
129.06995	1.8
131.08548	3.8
133.06471	1.8
133.10114	3.2
135.08051	2.3
135.11720	1.9
137.09645	2.0
139.53279	0.7
143.08551	1.7
145.10129	2.7
147.04402	1.6
147.08047	3.1
147.11696	3.0
149.09624	1.1
151.11128	0.9
156.97481	4.6
157.10187	0.7
159.11679	1.8
161.09627	1.4
161.13271	0.7
163.03915	1.4
163.11218	1.7
165.09123	1.8
171.11682	1.6
174.98582	3.8
175.11162	1.9
180.97412	1.1
181.12263	1.0
182.99083	1.1
189.11214	7.5
189.12753	0.9
194.99019	2.3
198.98566	3.8
213.00169	3.8
222.98495	1.0
223.13300	5.5
225.00273	0.7
240.99551	1.2
245.18979	0.9
255.17569	1.4
263.20248	0.7
272.11441	2.2
273.18494	9.7
279.01123	0.9
281.09976	1.3
283.00623	1.3
288.10910	1.4
291.19553	100.0
292.19904	0.8
301.01715	9.2
302.01947	1.3
309.13318	7.0
309.20551	3.2
309.23770	1.0
309.63217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03952	7.1
55.01873	9.8
55.05520	26.9
57.03428	5.3
57.07069	5.9
65.03941	4.0
67.05507	93.9
69.03431	4.1
69.07066	23.7
70.35648	8.5
70.35999	4.9
71.04990	6.0
77.12971	2.6
79.05496	40.2
81.03414	6.3
81.07060	100.0
83.05005	13.6
83.08620	12.9
85.02897	5.5
85.06535	8.0
85.94299	2.5
89.94333	3.4
91.05474	35.6
93.07046	40.3
95.04977	8.7
95.08611	56.6
97.06542	5.8
97.10159	5.4
99.04468	4.9
105.04503	4.1
105.07035	42.7
106.07379	8.4
107.04955	6.3
107.08607	43.5
108.08956	3.6
109.06524	11.1
109.10161	69.5
110.10510	6.9
111.04456	3.6
111.08095	5.6
113.06010	7.0
117.07031	6.8
119.08566	19.7
121.06496	8.6
121.10148	9.9
123.04417	3.4
123.08087	7.5
123.11686	14.6
125.09634	6.4
127.07522	3.0
129.07083	4.1
131.08585	11.8
133.06548	3.7
133.10147	71.3
134.10493	19.9
135.04422	3.3
135.08061	7.0
135.11732	5.4
137.09608	5.4
137.13292	4.0
139.07596	4.2
143.08540	6.7
145.10144	11.9
147.04428	8.7
147.08083	8.7
147.11688	4.7
149.09618	5.7
151.11191	54.2
152.11525	20.0
156.97496	9.1
157.10156	6.0
159.11708	5.6
161.09647	9.6
163.03894	12.6
163.11176	5.1
165.12781	5.2
169.10168	3.1
169.12250	11.3
170.12515	3.9
171.08037	3.1
171.11769	3.5
174.98518	6.6
175.11203	4.3
184.07224	3.0
188.18939	2.9
189.12817	3.1
194.99062	4.0
198.98575	13.1
213.00095	9.9
224.25951	3.0
245.19040	11.3
263.20032	10.1
264.99539	3.7
272.11404	4.2
273.18469	29.0
278.63919	3.9
291.19632	47.1
301.01709	20.9
309.10129	3.3
309.13385	16.1
309.20627	14.6
309.24301	7.3
309.63321	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	309.2062
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03893	1.1
55.01862	4.3
55.05500	3.1
57.03439	33.0
57.07054	1.6
57.88738	1.1
62.27016	1.0
65.03945	1.5
67.05169	1.8
67.05507	25.9
67.05869	1.5
69.03410	2.5
69.07064	3.0
69.41808	9.6
71.04988	2.6
79.05502	10.3
80.62042	1.0
81.03428	1.8
81.07054	11.5
83.08604	1.5
85.02865	1.1
85.06547	31.1
89.36367	0.9
91.05492	9.2
92.00307	1.2
93.07046	10.9
93.07594	1.7
95.04362	2.0
95.04973	39.1
95.08592	7.3
97.02890	12.3
97.06519	2.1
97.10199	1.4
97.36088	1.2
98.97578	1.4
102.04710	1.1
105.07024	7.0
107.04984	3.1
107.08588	8.1
109.06525	36.1
109.10129	1.8
113.06012	100.0
117.03363	2.7
117.07022	5.2
119.08587	3.9
121.06499	2.4
121.10136	3.2
123.08099	2.3
129.07011	3.4
131.08565	7.5
133.10135	2.8
135.08061	35.3
135.11655	1.9
143.08551	3.3
145.02863	8.3
145.10109	5.0
147.08012	2.1
149.05978	1.5
149.09601	3.8
149.13263	1.4
157.10086	2.4
159.08145	1.2
159.11690	3.0
161.09601	4.2
163.11209	2.3
165.09131	1.6
171.11650	1.8
173.13257	2.8
177.05481	16.7
185.13260	1.5
195.11952	1.2
195.13799	1.7
199.14828	2.3
217.15915	11.1
227.18051	1.5
255.17467	2.0
273.18549	14.6
291.19550	46.3
309.20572	1.4
334.17953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Albocycline
Peak:m/z	Relative Intensity
54.09500	0.9
54.27181	0.9
55.01869	3.0
55.05515	4.4
56.96573	1.0
57.03439	29.3
57.07071	2.6
58.38438	0.8
65.03926	1.3
67.05506	20.0
69.03451	1.1
69.07073	3.2
70.07384	1.0
70.68874	2.5
71.04987	3.3
71.59147	1.1
79.05489	11.3
81.07051	8.3
83.05003	2.2
83.08614	3.0
85.06543	29.7
91.05481	9.2
93.07045	9.0
94.04168	1.0
95.04973	33.7
95.08602	5.0
97.06564	1.9
99.08125	1.1
105.07020	7.0
105.67702	1.0
107.04988	3.3
107.08589	8.1
109.06521	31.3
109.10104	2.2
113.06008	100.0
117.07053	4.6
119.08574	4.2
121.06483	1.9
121.10154	2.6
122.03653	1.2
123.03961	1.3
123.08054	1.7
124.04093	1.2
125.04433	1.2
129.07001	3.2
131.08600	5.5
133.10136	4.0
135.08057	26.0
135.11700	3.1
137.05977	17.5
137.53178	0.9
138.04677	1.0
138.06314	28.1
139.06502	31.1
140.06749	17.1
141.09125	1.0
142.54251	0.9
143.08548	2.6
145.10129	5.5
147.04439	1.2
147.08040	2.4
147.11577	1.1
149.09612	3.1
157.10127	4.6
159.11699	3.5
161.09558	4.3
163.03944	4.4
163.11215	1.2
170.15292	0.8
171.11768	1.5
173.13281	2.2
175.11281	0.9
177.12688	1.3
183.11705	1.4
185.33092	0.9
189.39830	1.0
199.14862	1.2
201.12750	1.5
204.29518	0.9
217.15854	9.9
255.17389	1.9
273.18481	15.1
291.19553	59.0
309.20929	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2064
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03946	5.3
55.01875	15.4
55.05518	26.8
57.03449	13.1
57.07069	2.3
59.08086	1.6
59.43778	1.6
65.03969	3.6
67.05514	59.2
69.03427	8.2
69.07064	14.0
70.08283	8.3
71.05004	6.0
79.05495	52.3
81.03431	5.2
81.07066	62.2
83.04995	20.2
83.08640	9.3
85.02914	8.3
85.06545	12.0
91.05484	37.2
93.07059	36.6
95.04977	54.2
95.05553	3.6
95.08620	19.5
97.02899	8.0
97.06541	8.7
97.10180	7.6
98.21319	4.6
99.04481	4.4
99.08096	2.2
100.09249	1.8
100.92109	2.0
105.04545	3.2
105.07041	21.2
107.04947	11.8
107.08603	23.2
109.06532	50.1
109.07261	3.4
109.09538	1.9
109.10153	10.9
111.04463	26.8
111.08089	11.9
113.05354	2.2
113.06009	13.0
117.07009	10.9
119.04958	19.4
119.08587	27.3
121.06551	9.7
121.10123	14.9
123.08130	5.3
125.09647	7.0
129.07053	5.8
131.04964	1.8
131.08574	19.4
133.06534	5.3
133.10172	7.8
135.08080	30.4
135.11731	11.0
137.09633	2.7
140.50624	2.2
141.06871	1.7
143.08591	8.3
145.06532	2.3
145.10144	14.9
147.04427	86.4
147.08076	11.6
147.11732	4.0
149.09621	8.5
149.13231	3.5
153.12756	4.6
157.10144	6.0
159.11752	6.4
161.09630	8.4
163.03893	6.6
163.11194	14.0
165.05504	2.6
165.09120	3.1
167.10585	2.1
169.10161	2.5
171.11713	3.5
173.09634	2.5
175.11154	3.1
177.12790	2.5
181.12254	12.1
185.13217	2.3
191.10732	10.5
209.11807	3.6
213.33438	2.1
217.15926	7.8
223.13461	3.5
227.12831	7.6
227.18005	3.6
245.19127	2.4
249.14958	4.0
255.17438	5.4
264.92801	1.9
273.18512	36.5
291.19556	100.0
309.09619	2.8
309.20630	6.9
309.24301	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	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.63317	1.3
53.03931	5.3
55.01868	8.6
55.05516	49.6
56.96584	6.9
56.96802	1.5
57.03438	18.3
57.07060	3.9
59.04989	2.4
65.03918	2.7
66.12405	1.3
67.05508	63.7
67.05872	3.0
69.03416	5.1
69.06731	2.1
69.07071	34.4
71.04993	2.3
71.08605	1.7
71.56985	2.1
76.66251	1.3
79.05062	2.5
79.05494	38.0
81.03406	4.2
81.07065	69.0
83.04983	8.3
83.08149	1.6
83.08629	30.4
85.02885	3.1
85.06530	5.2
86.89817	1.3
91.04970	1.8
91.05491	25.8
93.07047	31.6
95.04964	9.6
95.08614	47.4
97.02858	1.9
97.06499	6.4
97.10181	29.7
98.97577	1.8
99.08088	2.1
105.07040	19.7
107.04278	2.6
107.04959	30.3
107.08594	22.4
109.06525	3.3
109.09480	1.4
109.10165	26.7
111.04436	3.4
111.08068	4.2
113.05976	1.8
115.05438	1.8
117.03349	1.6
117.07004	6.8
119.04957	2.4
119.07799	1.9
119.08579	24.0
121.06495	5.5
121.10165	12.7
123.04449	1.3
123.08071	14.6
123.11691	5.9
125.09647	17.6
129.07010	2.4
131.08556	7.8
133.06522	2.9
133.10168	10.7
135.08093	13.4
135.11679	6.7
137.09586	6.0
137.13287	1.7
139.11162	1.8
143.08586	2.5
145.10164	7.9
147.04437	6.5
147.08031	6.4
147.11665	6.4
149.09561	3.7
149.13194	1.8
151.11180	2.6
153.09084	2.4
153.12744	1.4
157.10182	2.1
159.08066	1.9
159.11653	2.7
161.09615	3.3
161.13263	2.5
163.03920	10.8
163.11220	3.4
165.09116	5.0
166.65935	1.2
171.10138	1.6
171.11633	2.2
173.11754	3.3
175.11218	2.2
175.14796	1.8
181.12175	2.6
185.13301	2.1
189.04399	2.5
189.11256	13.3
189.12785	2.8
191.10629	2.0
210.24544	1.4
211.13229	2.4
217.19463	2.1
223.13251	5.0
227.17984	1.9
235.20490	3.1
245.18990	3.3
249.14790	2.3
253.11079	1.5
255.17499	2.6
263.20178	1.5
273.18481	20.9
291.19553	100.0
296.48056	1.4
309.09833	1.5
309.17767	12.9
309.20670	11.6
309.24207	72.7
326.26428	1.4
327.18329	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.48732	1.3
53.03954	18.5
55.01867	10.7
55.05516	10.1
56.96573	2.1
57.03442	7.0
65.03942	2.1
67.05168	2.6
67.05511	41.0
68.99786	1.4
69.03424	5.0
69.07072	10.3
69.52485	10.1
71.05001	10.8
79.05499	31.8
81.03425	37.1
81.06581	3.4
81.07061	68.9
83.04988	15.2
83.08620	4.5
85.02910	3.3
85.06548	2.5
86.09701	2.6
90.48617	1.2
91.05493	25.8
93.07053	29.3
95.01369	1.9
95.04977	14.3
95.08618	26.1
97.02903	5.8
97.06534	16.4
97.10178	2.3
98.21519	1.7
99.04465	5.3
99.08088	3.3
105.07037	16.8
105.07695	2.2
107.04955	16.7
107.08600	16.4
109.02911	4.2
109.06534	43.2
109.10157	7.3
111.04463	22.2
111.08078	3.9
113.06006	2.3
115.05466	1.9
115.07600	1.4
117.03410	2.4
117.07041	11.5
119.04947	5.2
119.08580	12.4
120.90102	1.3
121.06499	10.4
121.10157	8.1
123.04449	3.0
123.08084	17.4
123.11713	2.1
125.09663	2.3
127.07526	2.0
129.07034	5.0
130.06548	27.6
131.06056	3.0
131.08592	14.0
132.62160	1.4
133.06482	2.6
133.10120	12.8
135.08083	17.0
135.11697	11.9
137.05934	1.6
137.09647	4.1
141.06990	3.4
142.06531	1.4
143.08597	4.9
145.02850	5.2
145.06516	8.8
145.07472	1.5
145.10153	8.4
147.04428	31.6
147.05515	2.9
147.08064	2.5
147.11681	2.3
149.04741	2.0
149.05962	1.4
149.09644	7.3
149.13260	6.8
151.11186	4.4
153.09113	5.5
154.07816	1.9
157.10176	4.6
159.08064	3.2
159.11705	11.9
161.09660	6.1
163.03918	8.3
163.11205	4.1
165.05527	1.6
167.10742	1.5
169.08868	1.3
169.10168	5.8
169.12225	1.5
171.11723	2.2
173.11595	1.4
173.13362	1.3
175.11295	2.6
177.05498	8.5
177.12755	7.6
185.13316	3.0
187.11211	8.8
192.06578	29.7
192.08148	2.7
195.13849	5.2
199.14714	2.5
201.12656	2.2
205.12184	2.7
217.15910	10.7
219.13699	2.4
221.15450	5.1
223.13313	5.7
233.15385	1.8
234.08060	2.7
235.08681	3.1
241.14430	3.9
241.76616	1.4
245.19106	1.8
247.08488	1.4
248.07025	2.4
249.07710	1.9
249.10208	2.9
251.08418	1.7
255.17401	2.0
263.08203	2.4
263.20081	2.9
264.10251	2.3
273.18509	22.5
277.09714	3.3
278.10577	3.6
280.09680	3.6
281.12946	3.3
291.19559	100.0
292.19681	1.7
293.09155	1.4
294.10077	2.6
309.12366	45.8
309.20490	23.3
317.94559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03955	10.4
55.01871	5.7
55.05516	21.5
55.21146	1.7
57.03434	2.5
57.07074	4.8
59.05009	1.6
60.87960	1.2
65.03942	1.4
67.05511	48.1
69.03425	2.2
69.07077	28.3
69.97021	6.6
71.04981	2.5
71.08623	5.1
77.33993	1.2
79.05503	32.3
81.03427	47.7
81.07066	46.3
83.04984	12.0
83.08636	9.6
85.06559	2.3
85.10186	2.3
91.05493	15.5
93.07048	31.4
95.04979	25.5
95.08623	18.1
97.06528	2.8
97.10165	9.1
99.08108	3.4
105.07045	17.1
107.04966	2.1
107.08595	21.0
109.06544	8.1
109.10167	14.9
111.08093	1.6
113.09646	2.3
117.07049	4.6
119.08580	10.8
121.10145	6.6
121.58206	1.4
123.08097	2.1
123.11739	6.3
125.09634	15.6
129.07051	3.2
131.08556	5.0
133.10150	12.3
133.46239	1.3
135.08093	4.9
135.11707	5.2
137.09604	3.2
145.10173	3.4
147.07997	2.6
147.11740	12.6
149.13258	6.0
151.11197	33.4
151.12349	2.3
153.09134	5.3
157.10170	3.2
159.11729	1.5
161.09677	2.8
161.13321	9.1
163.03909	3.8
163.14807	4.7
165.12746	9.5
171.10205	1.9
171.11725	4.9
173.11752	1.7
173.13220	2.3
175.11255	1.8
175.14819	4.8
177.12756	2.4
179.14267	6.5
189.12767	3.0
193.12294	2.1
198.12775	1.3
203.12799	9.6
207.13826	4.1
217.19591	1.5
217.85112	1.6
221.15465	1.5
231.21060	9.2
235.16856	1.6
241.19478	7.5
249.22144	1.9
259.20590	9.2
277.21658	100.0
309.24237	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	310.1439
Annotation	CJ 16171
Peak:m/z	Relative Intensity
50.26650	0.4
53.03944	0.5
55.01861	0.7
55.05518	2.6
57.03432	0.7
57.07072	0.8
62.13699	0.4
63.15595	0.4
67.05171	0.6
67.05508	9.2
68.05837	0.7
68.99792	1.4
69.03426	1.3
69.07053	1.6
69.99201	1.1
69.99596	0.9
79.05492	2.6
81.03403	1.7
81.07058	4.3
82.07399	0.7
83.04982	0.9
85.06515	0.4
91.05493	3.0
93.07050	2.7
95.04958	0.8
95.08617	14.3
96.08931	0.5
98.21517	0.5
105.07034	1.5
106.06593	0.6
107.04957	0.9
107.08582	2.0
108.05302	0.5
108.70724	0.4
109.10115	0.6
113.06021	0.5
115.05466	11.4
116.04985	0.4
117.05790	0.9
117.06986	0.7
118.06547	3.2
119.08574	1.5
121.06489	1.6
121.10138	0.6
123.08090	2.8
129.07024	4.4
130.06541	4.8
131.04932	0.6
131.08568	1.0
132.08945	0.6
133.06526	0.7
140.04938	1.2
141.06993	0.8
142.06538	11.2
143.04846	0.5
144.04445	9.6
144.08072	1.2
146.06003	1.4
147.08025	1.7
154.06517	2.3
155.07266	2.2
156.08075	3.8
163.11140	0.9
166.06534	3.0
167.07329	9.0
168.04437	11.4
168.05629	1.2
168.08101	8.9
169.08885	1.3
170.06026	36.0
175.07542	1.8
180.08105	1.3
181.08911	0.6
182.05995	0.7
182.09662	1.4
183.06824	1.4
184.07614	7.6
184.11220	13.4
192.08096	0.6
193.08687	1.3
194.06023	15.5
194.09691	1.8
196.03954	40.4
196.07559	1.3
196.11147	0.5
197.08299	0.5
198.05524	7.5
204.07973	0.5
206.09746	0.5
210.09114	1.4
212.07082	14.5
214.05005	100.0
217.08833	0.4
218.09735	0.5
219.10417	0.4
222.09206	1.3
222.12701	0.7
223.06204	0.5
224.07097	3.0
224.10681	1.2
225.07869	1.0
229.15915	0.5
231.10518	0.5
235.09979	0.5
236.07016	0.9
237.08000	0.8
238.08604	2.0
240.06534	2.9
246.12654	0.6
247.16850	0.5
250.12155	0.8
264.13901	3.1
266.15384	1.6
274.12155	0.7
274.18872	0.7
292.13333	21.8
292.19824	1.3
292.22821	1.8
293.21182	2.1
310.14386	51.1
310.24323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01869	1.3
56.85012	0.7
56.96563	1.3
57.03428	3.0
57.07076	5.5
59.04993	0.8
61.02930	3.7
63.42666	0.6
65.03945	0.7
67.03856	0.8
67.05510	11.3
69.03428	8.3
69.07056	1.9
71.04999	10.7
71.52971	1.3
73.02905	2.0
81.03437	3.3
84.08144	1.4
85.02909	36.6
85.06537	5.0
87.04482	2.0
91.03957	3.1
91.05489	1.0
95.04973	15.3
97.02888	10.6
98.97590	2.8
99.04482	2.4
109.02887	2.7
110.97550	0.9
113.06011	52.4
116.98621	0.9
119.04907	1.3
123.40501	0.7
127.03918	8.7
131.05000	2.0
131.07048	100.0
136.07568	0.8
137.05978	2.5
145.04967	18.6
146.99652	0.8
163.03920	1.4
163.05992	4.6
163.07228	0.8
187.99057	0.7
219.01714	1.0
237.02783	0.9
262.49457	0.9
289.08350	1.2
293.12329	3.4
303.92538	0.8
310.08987	1.5
310.17685	0.7
319.03500	0.8
321.08435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2015
Annotation	(2E,5Z,7E)-decatrienoylcarnitine
Peak:m/z	Relative Intensity
51.96882	0.4
52.76152	0.4
53.03962	0.6
55.05520	9.8
57.05816	0.8
60.23544	0.4
67.05510	3.7
69.07081	1.4
71.05033	0.5
72.08164	100.0
79.05504	3.8
81.07071	8.9
83.04990	4.8
91.05495	10.8
93.07056	14.2
95.04989	2.5
95.08646	2.6
97.06566	1.0
98.06080	0.8
98.21111	3.1
103.05504	0.6
105.07040	17.3
107.04967	0.7
107.08631	3.6
109.06526	10.7
109.10173	1.3
111.08097	3.7
113.74502	0.4
114.09181	5.4
117.07038	0.6
118.08672	38.6
119.08598	5.7
121.06523	1.6
121.10155	1.6
123.08079	1.7
123.11712	0.8
129.07027	0.9
131.08609	3.6
133.06532	1.0
133.10146	23.3
142.08658	2.0
145.10095	0.6
145.56996	0.4
147.11702	17.3
149.09621	2.0
149.13315	1.3
151.07611	4.1
151.11200	55.4
153.83655	0.5
160.09729	0.8
165.12721	2.4
169.58873	0.4
175.11201	5.1
193.12312	6.2
208.13383	0.9
211.72519	0.4
229.07236	0.6
237.82527	0.4
246.18568	8.8
262.16513	0.5
264.19629	27.9
265.19934	0.6
274.18375	0.6
292.19101	9.8
310.20163	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	311.1123
Annotation	beta-Allamcidin
Peak:m/z	Relative Intensity
53.03943	2.2
55.01864	1.1
55.05512	1.2
57.03429	4.0
65.03905	1.2
67.05491	2.8
68.99799	1.2
69.03436	6.8
70.86659	1.9
70.87017	1.0
71.04987	2.9
72.08128	0.9
73.02914	2.7
77.03902	1.0
79.05497	4.1
81.03407	1.8
81.07052	1.6
83.04987	4.9
85.02905	3.1
87.04482	1.2
91.05490	2.4
95.01388	1.3
95.04981	4.5
97.02892	2.6
97.06566	1.0
98.21380	1.0
99.04478	4.4
103.05501	1.9
105.03426	1.2
105.07013	2.3
107.04967	2.8
107.08647	1.0
109.02888	1.7
109.06554	1.8
111.04481	4.5
111.94816	0.9
113.05989	3.2
115.05479	2.7
119.04910	1.9
121.06483	4.7
123.03571	1.4
123.04440	25.9
125.05973	3.5
127.03958	1.0
129.05469	1.3
131.04933	2.0
133.02876	1.4
133.06502	7.0
135.04416	2.8
137.05971	5.1
138.27345	1.0
139.03918	1.2
141.05516	1.9
143.04939	1.3
145.06470	5.0
146.03711	1.0
147.04425	9.0
147.08014	2.4
149.06000	3.9
151.03964	2.2
151.05029	2.4
153.05478	100.0
159.04468	1.1
159.08040	1.2
161.06000	12.2
163.03912	3.8
163.07541	1.9
164.04610	2.4
165.04343	0.9
165.05559	5.3
167.03421	5.2
167.07051	5.9
173.06012	5.9
173.09669	1.5
175.03923	10.2
175.07553	5.7
177.05482	9.7
178.03162	3.7
178.06354	1.2
179.07059	4.8
183.06606	1.8
185.06021	2.3
187.07518	3.8
188.31398	0.9
189.05475	13.2
190.03305	1.1
190.06244	1.3
191.03462	1.2
191.07028	6.7
193.04895	5.3
193.08633	4.9
195.06541	3.5
201.05359	1.2
201.09158	2.4
203.07008	4.2
205.05014	1.2
205.08603	2.7
207.06563	17.8
208.04294	7.5
209.08063	1.6
213.05450	2.4
215.07132	1.8
217.05052	1.8
219.06418	4.8
221.08121	2.4
229.08659	2.9
231.06549	6.7
233.08124	4.8
235.06036	1.9
237.07607	4.0
237.09692	2.1
247.09717	6.2
248.76109	1.0
249.07587	12.3
250.06212	1.0
251.08961	2.4
252.11801	1.0
257.08093	2.6
275.09210	7.4
279.08383	12.1
293.10394	8.3
311.06912	2.9
311.11090	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	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03953	1.2
57.03457	0.6
67.05470	0.6
69.03418	0.9
70.15034	0.6
79.05480	3.4
81.03406	1.0
81.07054	1.4
89.03909	1.4
91.05485	4.7
93.07037	2.4
94.04187	4.0
95.04977	1.5
97.02902	0.9
98.20751	2.0
98.97617	0.7
103.05458	2.8
105.03365	1.4
105.07044	9.1
107.04961	1.9
107.08590	2.5
109.06514	4.4
115.05465	2.8
117.03397	0.9
121.06494	1.4
121.10120	2.2
122.03654	9.6
126.95984	0.7
128.06189	1.7
129.07050	3.5
131.04982	1.5
131.08556	0.9
133.02863	19.7
133.06511	7.1
135.04442	1.0
135.08070	1.5
137.05983	100.0
143.06059	0.8
144.05717	2.7
145.06499	1.0
147.04369	0.8
147.08073	0.7
149.05997	4.8
149.09543	0.9
151.07613	0.6
155.04912	6.1
155.06042	1.0
159.08064	5.0
161.05981	15.8
163.07535	1.6
165.05495	3.8
165.07004	2.3
172.05200	3.8
174.59300	0.6
175.07562	2.2
179.08632	1.1
187.07552	24.6
188.08249	1.1
189.06969	4.0
190.07785	15.8
191.08560	36.0
194.07414	1.0
202.07762	1.0
203.08572	0.8
205.06419	1.6
207.08131	2.7
208.08800	5.9
218.07254	9.9
219.08061	46.7
220.08850	4.8
221.05972	2.1
223.07588	0.8
223.11183	0.9
225.09094	1.4
229.07646	1.4
229.13515	0.9
233.06013	0.9
233.09647	2.0
235.07501	6.0
236.08311	10.1
237.09096	1.8
237.55511	0.8
246.06674	1.1
247.07559	21.5
248.08295	3.6
249.05455	1.1
249.09209	0.8
250.09915	0.8
251.10678	63.5
252.11101	0.9
253.08554	5.3
261.09094	2.6
263.07123	1.0
264.07837	7.6
264.10385	1.1
265.08664	2.2
266.05499	0.8
267.10147	1.2
268.07416	2.0
268.10947	1.5
270.08905	1.2
272.61853	0.6
278.09464	1.3
279.10178	55.5
280.10876	5.0
281.08063	8.2
283.09647	4.5
283.13089	1.7
288.98499	0.7
293.11484	0.7
295.09714	1.5
296.10480	10.1
311.05466	2.6
311.12775	72.3
312.13138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01872	1.4
60.82008	0.7
66.33725	0.7
70.75614	1.8
70.75954	0.8
71.52582	0.7
79.05489	2.7
81.07063	2.5
91.05479	5.0
94.04196	4.3
100.79180	0.8
103.05485	1.1
105.07040	7.4
107.04993	1.7
109.06497	4.4
115.05468	2.1
116.06242	1.1
117.07040	0.7
121.06484	1.2
121.51373	0.8
122.03640	9.8
128.06259	1.8
129.07016	4.2
131.04950	2.1
133.06497	3.7
135.04446	1.0
137.05981	98.4
141.07079	0.7
144.05688	3.5
145.06493	1.1
149.05971	6.1
155.04922	7.9
155.06041	1.1
156.05731	1.2
159.08078	7.5
161.06001	13.7
163.07475	0.7
165.07036	3.2
167.07031	0.7
170.27339	0.7
171.04340	1.0
172.05246	4.2
175.07594	3.4
179.08542	1.4
180.09361	1.4
181.06310	0.8
187.05844	1.6
187.07559	29.7
187.21590	0.7
188.08423	0.8
189.07047	5.8
189.08734	1.1
190.07780	25.0
190.09499	1.4
191.08568	47.9
193.06491	1.3
194.07179	0.9
201.07008	1.3
202.07800	2.1
203.08601	1.3
205.06390	3.4
207.08069	4.4
208.08826	5.6
218.07275	14.3
219.08063	67.4
220.08876	6.5
221.06021	2.3
222.06850	0.7
223.11172	1.1
225.09135	2.0
229.07607	2.1
231.08081	1.2
233.09618	1.2
235.07536	7.6
236.08337	14.3
237.09116	2.9
246.06793	2.3
247.07555	27.0
248.08325	4.2
249.05431	1.3
249.09161	1.4
250.09795	1.1
251.10683	92.1
252.10934	1.7
253.08623	8.1
261.09174	3.2
263.07193	3.4
263.10797	0.8
264.07828	10.8
265.08527	4.6
267.10181	0.9
268.10995	2.3
279.10178	87.1
280.10831	6.5
281.08093	14.1
283.13336	2.2
293.11722	0.9
295.09604	1.4
296.10461	12.3
309.11124	1.5
311.12787	100.0
312.13168	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
51.62912	0.6
55.01867	1.1
60.80692	0.7
62.02174	0.8
69.03431	1.1
69.32178	4.6
69.32582	1.8
74.86064	0.7
75.20422	0.7
79.05494	2.8
81.03459	1.0
81.07048	1.5
89.03945	0.9
91.05496	5.2
93.07021	1.2
94.04192	4.8
97.02916	0.8
99.01598	0.7
103.05480	1.7
105.03377	0.8
105.07037	6.4
107.04938	1.5
109.06539	3.8
115.05427	1.4
121.06565	1.5
121.10135	1.0
122.03653	8.3
128.06230	1.2
129.06985	4.6
131.04918	2.2
133.06494	4.5
134.03596	0.8
137.05986	100.0
143.04961	0.8
143.06068	0.8
144.05708	3.3
145.06540	0.8
149.06024	5.5
151.07529	1.6
155.04926	9.1
155.06078	1.1
156.05701	1.5
159.08076	8.1
161.05991	12.1
163.03857	0.9
163.07613	0.9
165.07004	2.9
167.07193	0.8
171.04530	1.2
172.05219	2.3
174.94559	0.7
175.07570	3.0
179.08594	1.8
187.07553	29.9
188.08212	0.8
189.07031	6.2
189.08655	1.1
190.07799	20.9
191.08566	47.1
193.06540	0.7
195.08028	1.0
201.07018	2.8
202.07776	2.2
203.08560	1.0
205.06528	3.0
205.10335	1.1
207.08095	5.5
208.08922	6.3
218.07289	12.7
219.08060	65.1
220.08778	6.8
221.06004	1.9
223.11279	1.0
225.09155	1.3
229.07719	1.4
233.09654	2.3
235.07579	9.2
236.08328	12.9
237.09087	2.6
246.06772	1.9
247.07570	28.0
248.08328	3.4
249.05417	1.4
250.09879	1.3
251.10686	94.3
252.11049	1.0
253.08655	7.5
261.09222	4.5
263.07086	2.9
264.07837	9.7
265.08536	4.3
266.05579	0.9
267.10254	1.0
268.06912	0.8
268.10791	1.9
278.09253	0.9
279.10187	74.7
280.10995	5.2
281.05270	1.1
281.08121	12.6
283.13132	1.1
296.10422	12.5
309.11127	1.1
311.12790	94.1
320.04681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01880	0.6
65.54003	0.5
69.88380	2.3
79.05499	3.1
81.07060	1.5
91.05496	4.1
93.07058	1.1
94.04199	4.4
95.04977	0.8
103.05514	1.1
105.07034	4.6
107.04947	1.6
109.06530	4.8
115.05483	2.0
117.03423	1.0
121.06464	0.6
121.10148	1.5
122.03667	9.4
128.06239	1.5
129.07014	3.5
131.04944	2.0
131.08537	1.1
133.06503	4.1
135.04382	0.6
137.05984	100.0
144.05716	3.7
145.06523	1.2
146.03656	0.6
149.06009	5.8
149.09628	0.7
151.07587	0.8
155.04918	5.2
155.06021	0.7
156.05719	0.9
159.08064	5.9
161.05981	9.1
163.03947	0.9
165.07065	2.4
167.08492	0.6
171.04440	0.7
172.03946	0.5
172.05222	3.2
173.05969	1.0
175.07588	2.0
177.05457	0.8
178.06042	0.6
179.08597	1.3
180.09366	1.3
181.06522	0.8
187.07559	29.6
188.08286	2.2
189.07040	4.5
189.08746	0.7
190.07791	17.1
191.08562	39.2
193.06519	1.0
201.05350	0.5
201.07034	1.5
201.53848	0.6
202.07819	1.9
203.08597	2.0
205.06511	1.8
207.07993	3.6
208.08852	6.6
212.44847	0.5
215.08621	0.6
217.06563	0.7
218.05302	0.4
218.07281	11.3
219.08063	53.2
220.08830	5.5
221.06007	3.3
223.11221	1.1
224.08519	0.8
225.09039	1.0
229.07645	1.2
231.08142	0.7
233.09608	3.2
235.07587	5.9
236.08298	13.5
237.09120	1.7
240.07907	1.0
246.06877	1.5
247.07568	28.6
248.08305	3.7
249.05482	1.5
249.09198	1.5
250.09996	0.9
251.10686	65.9
252.10959	1.4
253.08598	6.2
255.45370	0.5
261.09207	4.5
263.07150	2.6
264.07843	10.2
265.08545	3.1
266.05612	0.6
267.10242	1.0
268.07312	1.2
268.10934	1.7
278.09500	1.3
279.10181	69.9
280.10910	5.1
281.08063	9.3
283.09616	2.1
283.13153	1.0
293.11713	1.7
294.08963	0.6
295.09753	0.9
296.10458	13.2
311.12796	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03935	0.7
53.62450	0.5
55.01886	0.8
66.04729	0.6
67.46634	0.5
69.03423	0.8
69.34367	4.8
79.05484	3.3
81.07054	2.4
85.02921	0.7
91.05495	3.4
93.07042	2.9
94.04197	3.8
98.97621	0.7
103.05464	1.5
105.07026	5.6
107.04958	1.6
107.08566	1.1
109.06512	4.2
115.05463	1.9
116.06258	1.1
117.03413	0.6
119.04951	1.0
119.08597	1.0
121.06516	1.5
121.10155	3.2
122.03649	9.3
128.06224	2.2
129.07021	3.8
131.04974	1.6
131.08545	1.2
133.06516	4.9
134.03545	0.8
137.05981	89.7
144.05737	3.3
145.06474	1.2
146.03683	0.6
147.04488	0.7
149.05980	5.0
149.09599	0.5
151.07555	1.4
155.04930	6.6
155.06050	0.8
156.05713	1.4
159.08066	7.6
161.05983	11.7
163.03954	1.2
163.07538	0.9
165.07002	2.6
167.07016	1.0
171.04515	0.7
172.05162	3.2
175.07545	3.9
178.07719	0.7
179.08598	1.4
180.09349	1.6
187.07549	24.9
189.07001	6.1
189.08647	0.8
190.07776	20.3
191.08556	45.3
193.06424	0.8
194.98741	0.5
201.07033	1.8
202.07819	1.8
203.08566	1.3
205.06509	3.1
207.08047	5.4
208.08861	6.6
211.07570	0.8
217.06528	0.9
218.07277	13.0
219.08058	56.9
220.08823	6.7
221.05948	2.4
223.07646	0.6
223.11240	1.2
225.09132	1.0
229.07626	1.7
231.08067	1.3
233.09645	2.6
234.06555	0.6
235.07521	5.8
236.08347	13.1
236.10620	1.1
237.09093	2.4
246.06758	1.9
247.07570	24.9
248.08246	2.7
249.05399	0.9
249.09126	1.0
250.10010	0.9
251.10681	76.2
252.11067	1.1
253.08577	6.2
261.09143	2.9
263.07071	2.1
264.07819	9.1
265.08591	3.5
266.05704	0.7
267.10156	1.6
268.07364	0.9
268.10947	1.5
277.08362	0.7
279.10175	73.3
280.10901	4.6
281.08090	11.5
283.10007	1.2
283.13351	2.2
293.11823	0.6
295.09683	1.2
296.10452	13.1
309.11224	1.4
311.12775	100.0
312.13101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.222
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03931	2.8
55.01875	14.0
55.05511	30.9
56.96583	1.8
57.03431	4.0
57.07063	5.3
65.03925	2.5
67.05508	44.9
69.03417	5.1
69.06723	2.3
69.07069	29.3
69.49237	10.8
71.05001	8.8
71.08630	3.4
77.83813	1.4
79.05496	48.6
81.03405	4.6
81.07061	70.6
83.04986	18.7
83.08153	1.7
83.08626	22.5
85.02907	4.4
85.06535	3.6
87.04490	1.8
91.05483	37.5
93.06474	2.8
93.07046	53.7
95.04977	9.3
95.08609	45.6
97.02882	5.8
97.05913	1.8
97.06538	23.1
97.10173	23.4
98.20717	1.5
98.97569	1.6
99.04416	2.0
99.08094	3.3
103.05443	3.0
105.07034	42.0
107.04942	5.6
107.08603	60.2
109.06514	8.2
109.10152	19.7
111.04437	4.9
111.08072	6.8
111.11713	3.3
111.67371	1.6
111.68449	1.4
113.06001	6.4
117.03357	1.9
117.07018	11.6
119.08585	28.6
121.06504	10.8
121.10149	25.6
121.71583	1.6
123.08073	5.4
123.11715	6.6
123.42286	1.5
125.05949	4.7
125.09637	37.6
129.06996	4.0
131.04947	1.9
131.08559	15.6
133.06494	3.4
133.10133	24.9
135.08081	7.1
135.11716	12.7
137.05995	24.0
137.09613	4.8
137.13240	2.7
139.07478	1.7
139.11139	4.6
141.06956	1.9
143.08565	3.3
145.02820	3.5
145.10147	18.2
146.03162	1.9
147.03265	1.9
147.11676	13.4
149.06001	3.0
149.09633	15.1
149.13277	6.1
151.03911	1.4
151.11157	2.5
153.09120	3.6
153.12733	6.4
155.08495	1.8
157.10114	6.6
159.08035	2.4
159.11708	12.6
161.02841	1.5
161.05952	3.0
161.09608	2.3
161.13269	5.7
163.11183	9.7
163.14799	1.7
167.10641	4.0
169.10141	2.6
170.46709	1.5
171.10234	2.0
171.11678	4.5
173.09602	2.5
173.11938	2.2
173.13231	7.8
175.11176	2.7
175.14874	2.1
177.05441	4.2
177.12759	5.4
178.05846	2.0
179.05963	4.3
179.14284	2.0
181.12213	5.4
183.11678	3.5
185.13284	1.6
187.07529	5.6
187.11079	2.7
187.14885	2.2
189.11191	15.8
189.12735	3.0
189.16302	2.1
190.07718	3.0
191.08553	7.6
191.10353	2.0
193.12198	2.2
195.13791	3.2
197.13275	2.5
199.14799	1.7
205.12279	3.5
208.08575	1.6
209.11710	1.9
211.13309	2.4
213.14769	3.3
213.16580	1.9
217.15881	1.5
218.07275	2.6
219.08049	11.5
223.13246	8.7
229.15875	1.7
229.19382	2.2
233.18951	2.2
235.07568	2.6
235.16972	9.5
236.08229	2.7
237.11325	2.4
239.17931	7.8
247.07533	4.9
247.20471	4.5
249.18527	1.9
251.10640	13.8
253.08655	1.7
257.19009	11.7
263.06964	1.6
264.07889	3.2
265.08521	2.2
265.21631	1.8
270.08878	1.4
275.20078	100.0
279.10220	14.8
281.08179	1.5
283.09579	1.6
293.21118	45.5
296.10382	1.9
311.09390	2.4
311.12793	23.4
311.22238	4.5
311.29428	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.62443	2.2
53.03925	3.8
53.29424	1.9
55.01867	9.5
55.05511	16.6
56.96567	17.7
57.07077	31.1
67.05503	27.5
68.99768	3.5
69.03425	3.3
69.07069	21.0
69.79517	13.3
71.04988	5.4
79.05508	20.2
81.03438	3.7
81.07056	44.9
83.04978	9.9
83.08611	10.5
85.06554	4.5
90.53404	2.5
91.05480	24.6
93.07047	26.0
95.04971	4.5
95.08622	26.4
97.06531	10.1
97.99171	4.7
98.09713	2.2
98.97639	5.4
99.08063	3.0
105.07029	26.3
107.04991	5.1
107.08597	18.1
109.02887	6.3
109.06516	6.6
109.10169	16.5
110.50283	2.1
111.04459	21.9
111.08097	7.1
117.07018	8.5
119.08574	22.6
121.06483	7.8
121.10136	14.8
123.08041	4.4
123.11725	6.2
125.05972	8.8
125.09601	4.6
131.08563	12.9
133.10127	25.9
135.04355	4.4
135.08047	3.0
135.11682	9.3
137.05978	10.0
137.09637	6.1
143.08524	2.8
145.10124	10.1
147.11668	11.3
149.09639	8.4
153.05472	16.3
157.10135	6.3
159.11671	7.5
161.09557	3.4
163.11172	7.3
169.10159	4.3
171.11624	3.2
173.13254	6.1
175.14934	3.6
177.12813	3.5
181.04990	5.3
181.08936	3.3
181.12196	10.5
183.11690	3.3
185.13184	2.9
189.16406	2.2
191.10739	13.7
193.04929	3.9
196.62488	3.6
209.11739	100.0
212.86865	2.3
219.07977	2.4
237.11215	90.2
239.18037	5.6
240.14462	3.7
249.15071	4.7
255.12309	23.9
257.18997	6.8
258.15527	6.2
265.21780	4.1
267.16040	4.9
275.20081	43.2
276.16537	2.9
278.66821	3.7
279.10043	4.6
287.67444	5.4
290.17734	3.4
293.17480	10.2
293.21100	16.2
311.12833	6.5
311.18460	7.8
311.24615	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03950	1.8
55.01868	4.1
55.05512	12.5
56.77765	1.5
56.96550	1.6
57.03440	1.8
57.07085	7.5
63.18212	1.3
65.03952	2.3
65.55637	1.3
65.92008	1.3
67.05511	26.4
69.03433	2.8
69.07069	18.7
69.07413	2.3
70.74197	2.8
70.74530	1.6
71.05009	1.5
71.08672	1.4
71.22737	1.6
75.41272	1.4
78.43102	1.2
79.05505	16.1
81.07059	36.5
82.07399	2.0
83.04979	7.7
83.08619	6.8
85.06540	2.1
85.31906	1.5
86.09721	2.3
91.05503	15.0
93.07047	19.0
95.04966	5.4
95.08616	21.6
97.06551	3.2
97.10167	2.9
104.10764	3.8
105.07042	17.7
107.04951	5.1
107.08591	13.8
109.06550	7.9
109.10164	10.8
110.63510	1.5
111.04446	3.7
111.08087	2.0
117.07019	5.0
119.08599	9.2
121.06538	7.9
121.10164	7.2
123.08088	4.2
123.11739	3.3
124.99964	1.9
129.07048	2.0
131.08563	9.0
133.06458	2.0
133.10155	13.8
135.08073	2.2
135.11682	4.1
137.09616	3.3
143.08568	2.6
145.10147	10.2
147.11697	9.9
149.09624	3.9
149.13235	2.7
149.54868	5.9
151.11171	5.5
153.05440	2.5
155.08600	1.9
156.97466	1.8
157.10143	1.9
159.11737	7.4
161.05719	2.0
161.09636	2.3
161.13324	3.4
163.11172	4.0
171.11737	2.6
173.13278	4.6
175.11230	1.5
177.12794	2.3
183.11699	1.8
187.11165	2.1
187.14745	1.7
191.10641	1.5
191.14240	2.8
197.13271	1.5
200.98332	1.6
201.12665	1.8
201.16139	1.5
202.28719	1.6
207.13814	1.6
209.11707	16.2
219.13934	3.0
229.19664	1.9
237.11255	11.9
237.61136	1.6
239.17877	2.9
240.09920	4.0
247.20486	2.0
255.12311	3.2
257.19028	15.3
270.65103	5.9
273.65555	1.8
275.20078	100.0
293.17856	2.0
293.21109	58.1
301.20248	3.6
303.01575	1.8
310.63818	2.1
311.24799	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03941	3.0
55.01875	32.2
55.05516	44.7
56.64456	2.1
57.03435	5.7
59.05000	3.4
59.88577	2.0
65.03933	3.0
67.05511	44.1
69.03431	8.4
69.07070	23.4
69.24871	16.0
69.25277	3.6
71.04996	13.6
79.05503	55.4
81.03412	4.8
81.07063	71.7
83.04989	28.0
83.08619	28.6
85.02893	3.5
85.06562	4.4
86.78844	2.0
87.72773	1.9
91.05481	30.0
93.07048	33.2
95.04993	17.5
95.08614	35.2
97.02873	4.5
97.06535	41.7
97.10188	39.2
103.05487	3.7
105.07027	28.8
107.04961	5.8
107.08603	100.0
109.06516	7.8
109.10186	12.6
111.04438	4.6
111.08096	7.3
113.06032	11.5
117.07019	7.8
119.06114	2.7
119.08602	13.6
121.06514	12.9
121.10157	15.7
123.04459	2.1
123.08093	4.2
123.11697	6.3
125.06043	9.7
125.09639	75.2
129.06990	2.1
131.04935	2.7
131.08566	12.5
133.10153	13.4
135.08060	6.0
135.11656	13.9
137.05998	10.9
137.09639	2.9
139.11192	8.7
141.07088	2.6
143.08574	3.9
143.10680	2.1
145.10165	10.7
147.11650	11.8
149.09674	10.1
149.13210	3.1
153.09184	2.8
153.12769	16.1
157.10208	3.2
159.11723	7.6
161.09644	2.9
161.13315	5.0
163.11212	10.1
167.10706	5.8
169.12268	2.0
171.10295	3.9
171.11729	2.0
173.13229	4.9
177.05542	2.6
177.12798	7.5
179.05989	2.5
181.12230	11.6
187.07503	3.3
187.11287	2.5
189.11221	33.4
190.60165	2.1
191.08592	3.6
193.12239	2.9
195.13828	3.4
205.12331	6.6
209.11873	3.2
211.13339	6.2
213.14877	6.8
219.08035	7.4
223.13316	22.3
239.18056	2.9
241.14314	4.3
251.10768	7.4
251.16368	4.3
257.19046	6.7
275.20102	88.4
279.10202	7.9
293.21124	72.8
293.24280	4.2
296.10135	2.6
311.12909	13.7
311.22253	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	311.2219
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.77097	1.7
53.03944	4.3
55.01876	6.2
55.05516	24.1
56.96582	2.4
57.03436	3.2
57.07086	2.6
62.74947	1.9
65.03944	2.2
67.05513	47.3
69.03445	4.8
69.07070	23.6
71.04986	5.4
71.56553	3.0
72.08150	10.0
79.05500	33.5
81.03436	3.5
81.06584	2.7
81.07062	54.9
81.07526	4.0
83.04984	7.1
83.08622	16.4
85.06544	4.1
91.05483	35.3
93.07058	40.2
95.04971	9.9
95.08613	38.3
97.06538	7.4
97.10174	9.7
99.04454	2.2
103.05504	2.9
105.07043	35.8
107.04942	4.8
107.08605	26.4
108.56249	1.8
109.06564	5.5
109.10157	24.5
111.08106	4.8
117.07047	7.9
118.08678	3.2
119.08598	27.6
121.06519	11.5
121.10161	21.0
123.08060	6.3
123.11730	5.5
125.09628	9.6
129.07025	3.9
131.08588	15.4
133.10138	34.4
135.08073	5.8
135.11711	12.7
137.06000	3.1
137.09648	7.6
143.08607	3.7
145.10106	15.2
147.04456	2.9
147.08080	4.4
147.11714	14.0
149.05034	2.2
149.09647	12.2
149.13268	5.5
151.11197	4.8
155.08627	2.2
157.10191	3.0
159.11713	16.5
161.13274	4.4
163.11182	7.6
165.12743	3.6
169.10110	2.0
171.11769	3.1
173.09680	2.0
173.11777	8.0
173.13303	5.3
175.11295	3.1
177.12758	3.7
183.11861	3.1
187.14781	2.6
189.11209	6.9
189.12741	2.8
197.13257	3.0
207.13814	2.0
213.16568	3.9
229.19600	4.5
235.16995	4.5
239.17929	6.4
247.20584	2.2
251.20277	2.3
257.19107	14.2
275.20096	100.0
293.21118	26.3
311.05508	2.2
311.12891	2.7
311.18323	5.8
311.22095	11.0
312.21927	2.1
316.46948	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.222
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03946	2.2
55.01866	7.1
55.05515	25.7
56.96563	4.5
57.03428	5.9
57.07065	5.1
59.05006	2.8
65.03928	2.6
67.05508	53.8
69.03433	9.4
69.07069	20.0
69.32571	1.6
69.60355	9.0
71.05005	9.2
71.08633	51.4
72.08149	7.2
79.05495	24.4
81.03407	6.3
81.07060	32.4
83.04984	18.2
83.08632	11.3
85.02905	5.3
85.06558	4.8
91.05480	23.4
93.07046	36.7
95.04966	14.4
95.08611	37.0
97.02869	1.9
97.06545	10.5
97.10161	7.2
98.20687	1.8
98.97587	3.7
99.04454	2.9
99.08102	33.0
100.11257	3.8
103.05413	1.7
105.07039	15.4
107.04968	3.2
107.08602	15.9
109.06523	7.8
109.10164	37.5
111.04438	3.5
111.08082	5.0
111.11744	2.3
113.06030	3.8
113.09693	1.9
116.98598	1.9
117.07028	6.5
119.08583	13.9
121.06493	12.7
121.10150	14.3
123.08059	4.5
123.11691	3.5
125.09618	6.6
127.11201	4.8
128.06221	2.0
131.08568	7.0
133.10121	17.8
135.08046	4.5
135.11693	7.1
136.90071	1.6
137.05952	2.5
137.09602	11.0
139.11186	42.0
141.07005	1.8
141.09102	2.6
143.08577	2.2
145.10118	7.0
147.11685	5.3
149.09619	7.2
149.13271	5.4
151.11186	30.4
155.08612	2.8
155.10663	19.4
157.10110	3.2
158.99644	2.4
159.11646	9.1
161.09650	8.8
161.13231	2.7
163.11131	4.7
165.12737	3.3
167.10760	2.8
169.10150	1.5
173.11772	15.8
173.13197	2.4
177.12785	13.4
178.31366	1.6
179.10690	5.3
183.11703	1.8
187.11156	3.7
191.14310	2.7
195.11739	1.5
195.13850	6.9
197.13435	1.8
201.12650	1.5
209.11609	2.4
229.19612	1.9
239.17754	1.7
247.20985	6.2
250.97083	1.7
257.18893	7.5
265.21750	1.7
275.20071	33.5
293.21106	100.0
296.74673	2.3
310.74487	3.1
311.12878	2.0
311.22495	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.71195	1.8
53.03942	2.6
55.01871	4.9
55.05269	2.3
55.05518	42.8
56.96566	1.5
57.03432	3.5
57.07072	5.2
59.05035	1.6
65.03925	3.4
67.05513	66.7
69.03424	4.5
69.06783	1.7
69.07079	19.5
71.05000	100.0
71.07589	3.0
74.63458	1.6
79.05500	69.9
79.05964	3.5
81.03433	2.5
81.06580	3.2
81.07062	55.0
83.04986	17.1
83.08626	29.1
85.02918	1.6
85.06547	18.4
91.05489	48.4
93.07051	37.7
95.04972	9.2
95.08607	31.2
97.06551	11.4
97.10179	40.4
98.97575	1.6
99.08073	1.9
101.06046	1.7
103.05474	2.2
105.07040	45.5
107.04964	2.8
107.08609	47.6
109.06508	8.8
109.10159	9.7
111.04427	1.6
111.08092	5.3
113.06017	9.9
117.07043	11.7
119.08595	25.8
121.06547	7.6
121.10166	26.7
123.08085	9.5
123.11740	9.4
125.09630	34.5
129.07033	4.8
131.08582	23.9
133.10144	25.5
135.08038	4.8
135.11726	8.5
137.09634	5.0
139.11176	4.4
143.08548	4.8
143.10765	1.8
145.10112	12.7
147.07986	1.6
147.11705	16.9
149.09598	4.6
149.13275	2.5
151.11160	2.9
153.09100	1.8
155.08545	2.7
155.10667	2.8
157.10152	5.8
159.11696	7.6
161.13312	5.5
163.11215	2.1
163.14841	2.9
165.12695	1.6
165.33540	1.5
167.95921	1.6
169.10161	1.8
171.10219	4.4
171.11723	7.3
173.11754	4.7
173.13345	5.6
175.14879	2.0
177.12675	1.9
179.14386	3.1
181.12260	2.7
183.11760	2.9
189.11223	24.9
189.12781	4.9
197.13338	2.9
203.12755	2.2
207.13892	7.6
209.15359	2.6
223.17032	2.7
233.15468	1.6
239.18034	9.0
243.15906	2.3
249.18474	3.3
257.19067	13.1
263.20029	5.6
275.20081	56.4
293.21146	47.5
311.22241	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03953	11.8
53.46436	1.8
55.01876	12.8
55.05267	2.7
55.05515	34.3
56.96563	3.4
57.03437	3.9
57.07079	29.8
62.87580	2.2
66.33120	2.0
67.05170	2.9
67.05505	40.2
69.03445	9.9
69.07070	19.8
69.81065	6.1
69.81458	4.1
70.06570	1.8
71.04986	4.4
72.08122	2.1
79.05497	35.6
81.03422	26.7
81.07059	55.2
83.04980	14.8
83.08619	18.1
85.02904	4.3
85.06535	4.5
91.05485	31.9
93.07050	30.8
95.04984	20.1
95.08613	41.3
97.06532	18.8
97.10168	18.8
98.57073	2.0
98.97564	2.0
99.08060	3.0
105.07037	30.4
107.04952	17.4
107.08598	33.2
109.02834	3.6
109.06513	7.3
109.10159	18.6
111.04467	20.3
111.08070	6.2
113.09610	2.4
117.06995	12.5
119.08566	18.3
121.06532	11.3
121.10143	17.8
123.08035	13.6
123.11650	4.2
125.05988	4.0
125.09637	19.2
129.07018	4.9
131.08568	15.4
133.06500	3.5
133.09232	2.5
133.10147	25.8
135.04433	4.8
135.08040	6.6
135.11681	14.5
137.09622	5.9
139.07507	3.1
139.11148	2.4
141.06975	2.9
141.09105	2.7
143.08563	4.1
145.06479	4.2
145.10138	12.4
147.11652	10.2
149.02315	3.1
149.09660	12.4
149.13246	4.9
151.11201	7.4
153.05467	15.4
155.10658	6.6
157.10109	3.9
159.11690	12.5
161.13261	6.5
163.11160	11.0
164.75609	2.1
169.10155	4.5
171.11627	5.1
173.11797	2.8
173.13284	5.3
177.12747	10.0
179.14296	9.3
181.05008	3.7
181.12218	6.8
187.11171	6.0
189.11247	17.5
191.10646	15.1
193.05026	4.2
193.12416	2.0
195.13805	8.3
196.62640	2.3
205.12279	2.9
209.09731	4.8
209.11736	100.0
221.15387	19.0
223.13301	9.1
235.16982	3.5
237.11223	81.4
239.18022	4.6
241.14336	8.5
247.20555	3.6
255.12265	18.6
257.19049	13.0
275.20065	62.5
293.17496	7.0
293.21094	31.1
311.18607	7.9
311.21573	2.7
311.24500	5.9
326.21838	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03943	5.8
55.01874	16.2
55.05516	27.5
56.96556	4.8
57.03437	6.1
57.07084	16.4
65.03934	2.7
65.34497	2.6
66.36443	2.3
67.05169	4.4
67.05509	69.3
67.05868	3.7
67.76888	2.5
67.79980	2.7
69.03403	3.4
69.06717	4.1
69.07072	53.2
71.04974	8.7
71.08643	4.5
71.57603	3.5
73.19373	2.3
79.05495	38.7
81.03407	9.0
81.07065	100.0
83.04962	13.9
83.08605	14.1
84.74891	2.2
85.06532	6.8
88.07043	2.5
89.06070	2.6
91.05479	37.9
93.07051	45.2
95.04970	20.7
95.08611	78.7
97.06542	15.2
97.10164	7.1
98.21069	2.7
99.08092	7.5
105.07042	49.6
107.04953	8.2
107.08595	27.3
109.06537	15.4
109.10158	28.5
111.04443	9.0
111.08074	5.2
117.07028	9.0
119.08605	31.7
121.06496	10.8
121.10159	30.9
123.08081	21.7
123.11703	22.0
125.09608	5.4
131.08580	17.5
132.39279	2.7
133.10138	20.6
135.08057	12.6
135.11682	8.9
137.09631	10.8
137.38972	2.5
141.06898	3.4
143.08565	3.8
145.06422	3.6
145.10124	16.0
147.11694	31.8
149.09624	9.4
149.13255	6.2
151.11182	3.6
153.05466	8.3
156.56197	2.3
159.11681	12.0
161.09627	2.4
161.13287	6.5
163.11200	7.8
163.14781	3.2
165.12785	14.1
173.13229	7.6
177.12749	6.7
181.12244	4.5
183.11702	4.5
183.13861	2.7
185.13307	2.9
187.11215	6.1
191.10608	4.6
207.13713	3.4
209.11740	35.4
221.15419	3.7
237.11259	33.2
237.14868	15.0
247.20554	7.2
255.12465	12.2
257.19000	5.9
265.21619	7.1
275.20221	62.5
293.21249	56.8
311.20761	13.3
329.21652	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03939	0.9
55.01864	2.5
55.05512	11.9
56.96560	1.4
57.03446	2.9
57.07080	6.6
67.05180	0.8
67.05508	13.2
69.03413	1.3
69.06711	1.0
69.07066	10.9
69.43698	4.3
69.58429	0.7
70.10799	0.6
71.04982	1.0
71.08636	8.7
79.05491	8.0
81.03421	0.7
81.07060	14.7
83.04986	3.2
83.08620	6.9
85.06562	0.8
87.98202	0.6
91.05473	3.8
93.07055	7.6
95.04985	2.9
95.08603	9.3
97.06532	2.3
97.10180	6.4
99.08083	4.6
105.07042	4.1
107.04949	2.7
107.08601	7.1
108.05761	0.8
109.06495	2.1
109.10165	3.9
110.91844	0.6
111.04468	3.1
111.08059	1.4
117.06979	0.8
119.08603	3.2
121.06532	4.6
121.10158	2.8
123.11722	1.5
125.09633	2.8
131.08563	2.3
133.10136	2.8
135.04436	0.7
135.08038	1.3
135.11691	3.5
137.05959	0.7
145.10118	2.1
147.11693	1.4
149.05978	8.0
149.09596	1.1
149.13297	1.3
151.11273	0.9
153.05455	2.4
153.09109	0.6
157.10068	0.8
159.11674	1.6
163.11195	1.7
165.12723	3.8
177.12762	1.2
189.11230	1.2
191.10667	1.0
195.13821	0.9
201.16481	0.6
209.11734	13.0
219.20967	0.6
237.11227	11.1
237.22212	1.1
247.20552	1.2
255.12251	3.1
257.19107	0.7
265.21658	1.0
275.20090	7.9
287.80539	0.6
293.21109	100.0
294.21405	1.1
305.03732	0.7
311.19812	0.8
311.25806	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	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03938	1.0
55.01865	2.5
55.05514	16.7
56.96563	0.6
57.03450	2.9
57.07084	5.7
64.94964	0.6
67.05511	12.6
67.15692	0.5
68.05834	0.9
69.03426	1.0
69.06728	0.8
69.07076	12.1
69.72666	2.9
71.05008	1.2
71.08638	9.2
72.31439	0.7
79.05496	8.5
81.03421	1.6
81.07066	14.8
83.04996	3.3
83.08630	10.0
84.88830	0.6
85.06490	0.8
89.76923	0.5
91.05500	3.9
93.07052	6.5
95.04982	3.3
95.08622	9.5
96.08926	1.0
97.02369	0.5
97.06513	1.4
97.10181	11.2
99.08096	5.0
100.02473	0.7
102.02246	1.8
104.93629	0.6
105.07042	3.6
107.04947	2.4
107.08594	7.6
108.05780	0.7
109.06514	2.1
109.10170	4.2
111.04440	2.5
111.08137	0.9
111.11740	0.6
117.07011	1.0
119.08578	2.8
121.06510	5.4
121.10145	4.5
123.08039	1.0
123.11713	1.4
125.05973	0.9
125.09646	6.9
131.08575	2.5
133.10123	1.7
135.04364	1.1
135.08096	1.4
135.11670	3.1
137.13258	0.9
143.04829	0.6
143.08536	0.7
145.10124	2.2
147.11690	1.1
149.09630	1.2
149.13281	1.3
151.11182	1.6
153.05482	2.3
157.10158	1.1
159.11768	1.1
163.11206	1.2
164.12000	0.8
165.12769	1.0
167.10640	0.9
173.13272	0.7
177.12749	2.2
181.12276	1.0
189.11237	3.1
191.08382	0.6
191.10681	1.4
191.14445	0.7
193.12292	0.7
195.47523	0.7
198.98558	0.8
209.11743	13.8
211.13326	0.9
213.00108	0.8
214.00449	0.6
236.17522	0.6
237.11247	11.1
240.16544	0.8
247.20668	0.9
249.94467	0.6
251.10606	0.7
255.12369	3.4
257.19083	0.8
261.11356	0.6
275.20157	5.4
290.19711	0.7
293.21127	100.0
294.21188	1.0
310.64230	1.1
311.18597	1.2
311.25928	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03932	6.7
55.01871	12.0
55.05510	33.7
55.65345	4.0
56.96569	39.8
57.03429	6.2
57.07071	17.8
64.99419	3.2
67.05505	45.0
67.20140	3.6
69.03440	6.0
69.07066	60.4
71.04993	4.1
71.08650	5.7
71.58509	5.9
79.05509	31.1
81.07055	69.5
83.04974	13.3
83.08618	25.9
85.02893	4.5
85.06554	6.5
91.05476	20.8
93.07056	44.6
95.08607	59.1
97.02878	6.6
97.06560	19.0
97.10159	13.4
97.99178	11.7
98.97597	6.1
99.04453	4.4
99.08096	4.7
105.07037	24.6
107.08607	36.5
109.06496	7.3
109.10168	28.7
111.04449	7.1
111.08089	17.3
111.11686	6.6
119.08595	21.5
121.06509	8.9
121.10141	25.3
123.08037	5.3
123.11700	12.1
125.09605	8.9
131.08548	11.0
133.10110	13.5
135.08055	10.4
135.11703	28.5
137.05995	22.9
137.09613	8.7
137.13319	6.0
139.07596	8.6
143.08604	3.8
145.02824	6.4
145.10088	13.7
147.07857	4.6
147.11687	10.6
149.13277	10.4
151.11156	4.0
153.12749	10.8
159.11673	6.8
163.11255	5.3
163.14798	3.8
168.25893	4.2
171.11765	5.1
173.13257	6.4
173.82108	4.1
179.06000	4.9
185.13307	5.2
187.07545	8.2
191.08536	9.5
192.07216	3.5
197.15324	16.6
209.11647	6.1
217.14337	10.9
219.08061	10.0
237.11340	5.3
243.19637	4.2
247.07445	6.1
247.20590	11.2
251.10667	10.8
265.21597	10.9
269.66510	4.4
270.13760	5.2
270.16464	4.4
275.20062	50.0
278.66901	11.0
279.10147	17.6
279.14352	4.5
288.11981	5.8
288.14838	5.5
293.21115	100.0
311.09344	8.0
311.12756	25.1
311.22278	11.5
311.26407	4.5
311.29379	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	311.2219
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03945	1.1
55.01868	3.9
55.05513	6.0
56.96557	0.7
57.03428	1.0
57.07079	28.5
65.03931	0.6
67.05173	0.7
67.05511	9.8
68.99792	1.4
69.03435	7.0
69.07064	3.3
71.01347	1.5
71.04979	1.3
71.08625	1.0
71.56588	0.5
72.08148	1.0
79.05054	0.6
79.05502	8.7
81.03422	1.5
81.06587	0.6
81.07062	11.5
83.04989	9.5
83.08626	6.0
85.02885	0.8
85.06549	1.3
91.05489	6.3
93.07047	7.9
95.04975	5.0
95.08607	6.2
97.02882	1.3
97.06544	3.8
97.10184	3.9
98.97591	0.5
99.04459	0.8
99.08100	1.3
101.02389	1.0
105.07031	4.8
107.04956	4.0
107.08596	8.0
109.02895	4.1
109.06502	2.3
109.10170	4.4
111.04449	20.0
111.08068	2.2
116.98611	0.4
117.07031	2.0
119.08586	5.5
121.06509	2.3
121.10168	4.5
123.08070	1.2
123.11707	1.9
125.02365	0.4
125.05998	7.8
125.09663	4.4
127.07545	0.8
129.06984	0.6
131.08588	2.8
133.10135	4.7
135.04430	3.1
135.08069	1.5
135.11699	2.1
137.05986	0.6
137.09653	1.5
138.05550	0.5
139.03885	0.4
139.07550	0.7
139.11180	1.2
141.09116	1.1
143.08603	1.2
145.10143	5.0
147.08069	0.5
147.11693	2.7
149.02299	0.7
149.09622	4.9
149.13254	1.0
151.11197	1.2
153.05478	17.7
153.09155	0.8
153.12767	0.9
155.08525	0.6
155.10672	1.0
157.10152	1.5
159.08066	0.5
159.11690	1.9
161.09595	0.6
161.13274	0.8
163.03908	1.5
163.11205	6.2
165.09131	0.7
165.12840	0.8
167.10692	0.5
169.10130	0.5
171.11670	1.0
173.09654	0.7
173.11874	0.6
173.13307	1.3
175.07576	0.9
175.11235	0.6
175.14821	0.4
177.09267	0.7
177.12747	0.9
181.04968	4.2
181.12242	9.1
185.13205	0.5
187.14705	0.7
189.11221	4.4
189.16440	0.7
191.10683	12.1
193.04951	1.8
193.08669	1.3
193.12219	0.8
195.11824	0.5
195.13864	1.1
197.13336	0.7
209.11743	100.0
210.12108	1.3
219.10208	1.0
223.13301	3.5
235.16936	5.8
237.11230	83.8
237.32295	0.4
238.11522	0.6
239.18022	0.8
247.20670	0.9
253.17975	0.4
255.12297	24.3
257.18945	2.0
265.17953	0.8
275.20108	12.6
293.17511	8.8
293.21130	8.5
311.18561	9.3
311.21823	1.1
311.24463	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03942	5.2
55.01883	10.8
55.02106	2.3
55.05516	80.1
57.03429	4.3
57.07070	10.1
65.03935	2.4
67.05168	4.5
67.05508	59.9
69.03428	11.2
69.07070	22.9
70.96195	4.5
71.05006	3.6
79.05498	77.1
80.84959	2.6
81.03421	3.3
81.07061	62.8
83.04974	15.8
83.08140	3.7
83.08624	71.6
85.06530	6.7
86.96441	2.1
89.90528	2.1
91.05482	40.2
93.07044	29.0
94.07905	2.0
95.04976	5.4
95.08617	24.8
97.06538	9.3
97.10178	81.9
99.08110	2.5
101.06005	3.9
105.07048	30.4
107.04984	4.9
107.08604	95.5
109.06544	7.4
109.10175	21.3
111.04453	7.2
111.08091	9.9
117.07029	20.7
119.08587	20.0
121.06479	5.0
121.10155	26.0
123.08061	4.1
123.11713	10.3
125.09641	86.2
129.07010	3.6
130.97432	2.2
131.08586	27.5
133.10133	28.3
134.10513	2.4
135.08069	8.1
135.11723	9.7
137.09592	2.9
139.11130	2.5
141.07014	2.4
143.08582	5.2
143.10634	3.8
145.10133	27.4
147.11682	17.7
149.09645	10.9
149.13286	10.0
151.11192	6.0
153.05444	5.2
153.09148	6.4
153.12698	2.8
157.10170	6.6
159.11716	7.7
161.09576	2.2
161.13248	5.6
163.11273	3.2
167.10687	2.7
169.10085	3.2
171.10181	10.9
171.11700	12.4
173.11887	2.8
173.13301	4.1
175.11345	2.3
177.12828	6.0
181.12245	7.9
183.11591	3.0
189.11223	82.9
189.12666	3.2
191.10622	4.2
193.12296	3.3
195.13840	10.1
197.13278	3.4
209.11737	36.9
209.15446	3.7
213.14879	6.7
235.16838	2.9
237.11194	27.0
239.17996	11.4
249.18314	2.4
255.12241	11.4
255.27092	2.4
257.19012	32.9
275.20071	100.0
293.17685	3.6
293.21048	25.5
302.60870	2.4
311.22159	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	311.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01868	4.4
55.05523	12.4
55.05741	2.5
57.03434	8.4
57.07083	16.4
57.08333	1.9
63.55251	2.6
67.05510	24.1
69.03439	3.3
69.07073	23.3
71.08636	4.0
72.04512	4.8
79.05500	26.6
81.03423	2.9
81.07061	76.1
83.04993	5.7
83.08620	6.6
91.05482	24.0
93.07048	68.9
95.04967	32.8
95.08612	65.9
97.06535	28.6
97.10194	2.4
105.07035	56.9
107.08597	30.6
109.06522	14.2
109.10169	21.7
111.04435	4.1
111.11748	2.8
112.22031	2.1
115.05509	3.6
117.07042	6.8
119.08595	35.0
121.06511	8.6
121.10152	35.7
123.08064	10.7
123.10818	4.8
123.11715	100.0
125.06052	3.4
125.09624	2.5
128.06233	6.0
129.07005	9.6
130.07779	5.5
131.08563	19.3
133.10149	30.2
134.14247	2.2
135.04405	17.3
135.08034	3.6
135.11705	8.0
142.07788	4.7
143.08511	13.2
144.09348	3.8
145.10121	35.5
147.08047	3.9
147.11687	9.7
149.13278	3.2
153.05513	4.4
155.08595	3.5
156.09291	5.0
157.10185	12.7
159.11711	20.6
161.09634	22.6
161.13254	7.1
163.11218	2.3
167.40198	2.2
169.10143	7.3
171.11682	13.0
173.13300	5.2
175.11209	3.6
175.14859	6.9
177.16429	4.0
182.10941	3.2
183.11688	7.2
185.13358	2.8
187.11176	6.0
187.14821	2.6
188.11966	3.4
189.12784	4.3
189.16405	6.2
189.96907	2.7
190.67754	2.3
191.10681	3.6
195.11714	3.3
197.13297	5.9
199.14877	4.9
201.16426	8.2
209.11714	23.6
211.14937	2.7
219.17444	12.4
237.11221	21.2
237.16409	4.6
255.12317	6.6
255.17607	3.5
255.21062	3.5
268.21649	2.1
293.22580	4.6
311.16266	7.9
311.23386	20.8
311.31479	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	311.237
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03933	5.6
55.01869	4.7
55.05511	17.7
57.03431	5.6
57.07080	9.4
65.03928	3.1
67.05512	45.5
68.67192	1.8
69.07072	62.3
69.07452	3.3
71.04978	2.8
71.10286	4.2
78.18786	1.9
79.05065	2.4
79.05503	28.7
81.03409	6.6
81.07064	50.9
83.04963	2.3
83.08623	13.1
91.05482	47.4
93.07052	100.0
95.04361	3.4
95.04974	68.7
95.08610	84.6
97.06538	32.4
97.10178	5.0
103.05447	3.8
105.07037	74.8
107.08595	56.6
109.06496	12.6
109.09457	2.8
109.10159	36.2
111.11716	2.9
115.05456	4.4
117.07022	15.5
118.75464	2.0
119.08585	73.9
121.06515	19.2
121.10151	49.0
123.08087	20.2
123.11735	17.0
128.06189	3.2
129.07005	9.0
130.07759	5.0
131.08586	29.1
133.10139	41.7
135.04405	7.2
135.08090	11.5
135.11719	17.6
137.09567	4.3
137.13251	5.4
142.07796	8.8
142.75517	2.3
143.08574	12.8
144.09335	3.1
145.10136	45.0
147.11671	21.6
149.09601	6.3
149.13261	5.6
153.05493	2.2
155.08513	4.2
156.09364	5.9
157.10146	30.8
159.08069	5.8
159.11705	53.4
161.09604	14.2
161.13246	13.6
163.11223	5.4
163.14722	2.8
167.08524	2.3
169.10161	11.8
170.10910	2.5
171.11671	16.6
173.09647	3.5
173.13310	12.1
175.14824	15.3
177.16382	19.9
181.10107	2.6
183.11723	5.7
185.13219	6.6
187.11182	7.9
187.14879	9.6
189.16367	12.3
193.10033	2.4
195.11710	5.3
197.13290	7.3
199.14801	8.6
201.16444	11.0
203.17976	4.3
209.11717	10.1
209.13441	3.4
211.14795	6.6
213.16403	5.2
215.17938	7.6
219.17390	5.8
223.14807	5.5
227.14421	2.4
227.18047	3.6
237.11284	11.3
237.16373	5.9
241.15971	2.9
241.19589	2.5
243.20903	2.2
255.12297	2.7
255.17216	3.0
255.21112	5.6
283.24118	2.3
293.22629	6.1
311.23563	36.5
311.26511	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03934	1.4
55.01862	1.6
55.05513	38.6
56.96550	2.3
57.03440	14.2
57.07077	18.8
67.05508	7.7
69.07070	44.9
71.04955	0.7
71.08241	0.9
71.08633	11.0
71.58411	1.0
71.58782	0.6
73.02908	0.6
79.05502	5.7
81.07059	9.7
83.04984	1.3
83.08624	41.8
84.59174	0.6
85.10195	4.7
91.05460	1.4
93.07041	6.7
94.54850	0.6
94.94261	0.6
95.04967	0.6
95.08615	9.0
97.06543	4.4
97.10175	26.3
97.99156	0.7
99.08051	0.8
105.07041	1.3
107.08591	5.2
109.10153	3.6
111.04436	1.7
111.08053	1.6
111.11717	7.6
119.08569	1.4
121.10162	5.7
123.11694	1.5
125.09638	1.9
125.13263	1.0
131.08522	0.6
133.10118	1.0
135.04433	2.8
135.11711	4.7
137.05988	1.3
139.11134	1.4
145.10202	0.7
149.13278	2.6
153.05443	1.7
153.12761	1.2
159.11726	1.0
161.09573	2.1
163.14822	1.0
177.16379	0.7
187.14948	1.0
191.10591	0.9
209.11751	7.9
219.08281	0.7
219.21118	1.7
237.11198	7.2
237.22232	0.8
245.67183	0.8
249.15402	0.9
251.10713	1.1
255.12283	1.7
279.10220	1.7
293.24734	3.0
308.06201	0.7
311.25821	100.0
312.26303	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1233
Annotation	Acronidine
Peak:m/z	Relative Intensity
51.02382	0.4
53.03958	1.2
54.39159	0.3
55.01871	0.4
55.21292	0.2
56.96569	0.6
66.30352	0.2
67.05495	0.4
69.07085	0.3
69.56149	0.6
69.56575	0.9
77.03926	0.5
79.05501	30.0
81.07057	0.7
91.05486	0.9
93.07058	2.8
95.04993	1.5
95.08682	0.3
98.21149	0.9
103.05479	88.8
104.05844	0.3
105.04509	0.7
105.07047	3.6
107.04964	38.3
107.08580	0.5
108.05298	0.3
116.98618	0.3
121.06518	2.8
122.06039	1.0
131.04941	31.3
133.10103	0.3
134.06076	0.3
149.05994	3.6
164.07080	59.9
225.20538	0.2
234.99600	0.2
276.20395	0.3
311.74680	0.5
312.12320	100.0
313.12640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1304
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
53.03922	0.2
57.03434	0.3
59.45585	0.2
67.10065	0.2
69.07051	0.2
70.06596	1.2
71.06113	0.4
71.53857	0.4
71.81359	0.2
85.02892	0.4
87.04451	0.3
91.05492	0.6
93.07042	0.5
95.04953	0.4
103.05481	0.3
110.03527	4.5
121.06518	4.1
128.04544	0.2
135.03008	1.4
137.08253	2.0
143.01880	0.2
153.04071	1.4
154.50246	0.2
155.02007	0.2
162.07790	0.7
165.06445	0.5
166.50232	0.2
178.07256	0.3
180.08812	100.0
181.09134	0.4
191.42458	0.2
213.12498	0.3
233.06444	0.2
234.07492	0.2
245.05164	0.3
312.14069	0.6
323.09650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69800	0.5
60.39249	0.6
65.03935	1.3
68.78444	0.5
69.61359	3.7
71.90640	0.5
76.46581	0.5
77.83831	0.6
86.94994	0.7
92.04989	1.6
93.06992	0.6
94.59944	0.6
98.21401	1.2
116.04977	3.2
117.05751	2.3
118.06543	0.6
120.04472	2.7
121.06520	0.6
132.08032	0.6
134.06061	1.2
136.07570	0.9
144.04449	18.6
144.05588	1.1
144.43907	0.5
144.51712	0.6
148.03926	2.1
160.07594	6.2
162.05473	0.9
164.07033	2.1
172.03944	6.5
176.07068	14.0
178.08600	0.8
188.07071	29.2
204.06573	6.5
205.07222	0.6
207.70172	0.7
216.06563	17.1
220.09689	89.5
221.10115	0.6
222.07634	1.0
236.09348	0.6
248.06461	0.7
248.09198	45.5
280.11801	65.9
281.12167	0.7
312.14417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1595
Annotation	CJ 16169
Peak:m/z	Relative Intensity
55.01867	2.7
55.05520	5.4
56.96570	0.9
57.03444	0.8
57.07058	1.0
67.05497	2.9
68.99789	2.2
69.03423	0.8
69.07064	2.4
69.44852	0.6
71.08655	0.8
71.56963	1.1
78.01751	0.6
79.05491	1.7
81.07042	2.5
82.07388	0.9
91.05481	1.2
93.07027	1.8
95.08598	1.9
97.10155	2.0
103.05449	1.1
105.07018	1.4
107.04986	0.9
107.08607	1.9
109.10162	1.6
115.05465	9.1
117.05737	1.3
118.06503	3.2
121.06459	1.7
121.10175	1.1
125.09617	2.5
129.07028	3.1
130.06531	3.7
131.08554	1.4
141.06917	0.8
142.06532	8.1
144.04442	5.2
146.05991	0.9
149.09557	1.3
156.08012	3.7
166.06525	1.7
167.06076	0.9
167.07330	8.2
168.04436	10.2
168.05655	1.5
168.08102	8.4
170.06018	30.1
177.09074	0.8
184.07597	8.7
194.06030	15.1
196.03941	38.3
197.08412	0.8
198.05544	0.8
210.09038	0.9
210.12065	1.7
212.07068	14.9
214.04999	100.0
225.07849	3.7
226.08670	1.0
238.08597	2.5
238.11508	1.2
266.15399	2.4
276.13831	0.8
276.20624	0.7
294.14871	24.6
294.21500	7.7
312.15921	36.9
312.26135	1.7
312.32709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00306	1.0
53.03954	2.5
55.01856	2.2
56.96553	3.6
57.03428	5.2
61.02932	10.0
66.58244	1.1
69.03430	20.2
69.07067	10.6
71.04998	2.6
71.57555	1.2
73.02922	6.2
80.16775	1.0
81.03419	7.7
84.08112	1.8
85.02908	100.0
87.04471	3.3
87.08099	15.3
87.85354	1.3
91.03946	7.9
91.05484	2.8
95.04970	1.2
97.02890	27.9
97.03514	1.5
98.97578	4.3
99.04464	3.6
103.05462	4.2
105.09153	3.0
107.04974	2.1
109.02886	7.0
109.06438	1.3
110.97572	1.5
115.03923	3.1
116.98669	1.8
119.04960	1.5
122.03699	1.2
123.04418	1.2
126.97088	1.1
127.03928	30.4
131.04953	11.1
132.05275	1.5
133.08614	4.8
137.05974	20.0
138.06326	11.3
144.04436	5.1
144.98071	1.4
145.04964	54.0
146.09697	1.3
151.03911	1.6
158.99672	2.9
160.07660	2.2
163.06023	13.2
163.07436	2.4
164.07060	1.9
165.05463	2.5
172.03909	2.9
176.07014	5.7
176.10692	1.8
177.00638	1.7
178.08705	1.2
180.08702	1.9
187.07585	2.8
188.07152	7.6
190.12308	2.1
191.08211	1.2
191.13026	4.6
192.08858	1.6
194.08124	1.8
204.06583	3.8
216.06596	5.4
219.01703	1.4
219.07864	1.3
220.09807	25.2
222.02037	1.9
224.09198	4.6
237.02843	1.5
238.10748	4.8
248.09540	9.3
249.08504	1.5
252.08640	6.3
252.11191	2.9
265.08176	1.6
266.06198	1.4
280.11987	16.8
284.10034	3.8
295.13901	1.2
297.10745	1.5
312.14597	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23861	0.3
55.01841	0.3
55.05522	0.6
56.96571	2.2
57.03431	0.9
57.07073	0.8
65.03944	3.1
67.05492	1.1
69.03424	0.9
69.70670	1.8
70.06587	1.0
71.06930	0.5
71.08642	0.4
72.08158	0.4
73.02927	0.4
79.05509	0.5
81.03407	0.6
82.05824	0.3
83.05003	1.4
84.08144	0.9
84.96036	0.3
85.02910	1.7
85.06544	0.4
91.05491	0.5
93.03386	0.5
93.07063	0.4
95.04961	2.3
95.08643	0.3
97.02905	1.6
98.97575	2.4
99.04473	0.3
105.07027	0.8
107.04956	1.4
109.02880	0.4
110.97549	0.6
111.04454	3.5
116.98639	0.7
119.04967	0.3
120.08105	0.4
121.02872	100.0
123.04447	0.6
123.41304	0.3
124.99127	0.6
127.03989	0.4
128.98607	0.5
129.05450	0.4
131.04930	0.6
133.06509	0.8
134.06041	0.8
135.04398	0.6
135.08061	0.5
137.05997	1.1
139.03906	2.9
139.04936	0.4
141.17212	0.3
141.69528	0.3
143.00174	2.1
143.32381	0.3
147.04417	0.4
151.03911	3.1
151.07536	0.4
151.08688	0.4
152.07057	1.1
158.99641	0.7
161.01247	1.3
161.05960	0.8
163.03915	1.3
167.06984	0.3
170.99689	0.5
185.01186	0.6
189.00804	0.5
195.01880	0.3
218.64682	0.3
221.86232	0.3
226.08998	0.5
237.02788	0.4
249.02853	1.6
249.67276	0.3
267.03897	2.2
272.04547	0.8
285.05008	1.0
290.05518	0.4
295.08167	0.9
302.06516	1.8
313.08905	8.2
313.14053	1.2
313.27454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.5
51.02373	0.7
53.03740	0.3
53.03948	3.8
55.01864	0.7
65.03925	0.5
67.05502	0.7
71.57124	0.8
77.03922	0.9
79.05505	0.7
81.03441	0.3
81.07082	0.5
83.62760	0.4
91.05481	8.8
93.07050	11.2
95.04969	3.1
95.08670	0.4
103.05473	9.2
105.04533	1.1
105.22957	0.4
107.04953	0.7
118.58613	0.4
121.06509	100.0
122.06830	0.6
149.05916	0.4
150.05479	0.7
151.03909	14.3
151.05128	0.7
168.80782	0.4
194.08119	0.8
194.51039	0.3
253.08961	1.0
271.09644	2.4
313.10962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.3
56.96570	31.5
57.07069	1.5
63.07737	0.8
67.05499	2.7
69.07079	1.0
71.58700	1.5
71.95269	4.7
72.96043	2.3
73.19324	0.9
74.56594	0.8
79.05505	1.1
81.07070	2.3
88.42925	1.0
91.05495	1.4
93.07064	2.4
95.08615	2.6
97.02891	1.0
97.10162	1.1
105.00167	1.1
105.06999	1.3
107.08585	1.9
109.10175	1.7
110.97591	2.5
119.08590	1.5
119.26024	0.8
123.01188	1.0
123.08120	1.3
128.98630	1.6
137.02783	1.4
137.06010	2.6
151.04059	1.8
223.10004	4.8
235.10007	6.3
241.11127	44.8
253.08698	3.0
253.11119	82.2
254.11467	1.3
255.06569	1.0
259.12204	34.6
264.12762	2.2
271.12189	100.0
272.08633	1.9
276.12750	2.7
282.13766	2.7
289.13196	2.8
294.13782	14.5
313.07648	0.9
313.10565	4.5
313.20258	1.5
313.25027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1647
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
53.03942	6.1
55.05508	6.1
55.91872	2.6
57.03429	7.6
57.07072	3.5
61.02919	4.8
67.05499	9.6
69.03434	23.6
69.43926	15.0
71.04978	5.0
79.05495	16.7
81.03424	11.1
81.06586	3.5
81.07065	71.4
83.04962	7.0
83.08601	3.7
85.02918	34.4
91.05492	20.1
93.07057	100.0
95.04964	10.5
95.08620	16.8
97.02895	9.1
97.06551	4.3
99.04437	4.6
105.07038	21.7
107.08615	19.8
109.02874	9.0
109.06518	10.7
109.10167	5.9
111.04440	3.0
111.08060	2.8
114.84938	2.7
119.04929	3.2
119.08578	5.8
121.06551	5.7
121.10148	11.5
123.04402	3.2
123.08104	3.8
123.11723	31.6
127.03927	10.6
131.08568	4.9
133.10156	31.6
135.08089	3.5
135.11681	6.9
136.06212	3.3
137.05989	5.3
145.04968	5.6
145.10176	5.9
147.04343	6.0
147.08110	3.5
147.11708	4.6
149.09631	4.6
151.11198	48.6
161.09637	3.6
163.11243	4.5
169.12277	2.8
177.08875	2.6
235.61681	3.1
269.12061	3.3
295.15198	4.2
313.12784	9.7
313.16248	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	313.2373
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
55.01870	4.6
55.05513	26.4
56.03018	2.6
57.03439	3.2
57.07066	10.8
62.74718	2.5
65.02984	2.6
67.05508	100.0
69.03452	3.1
69.07079	18.7
70.61106	8.6
71.04987	9.6
71.08624	5.2
79.05495	38.6
81.07061	98.8
83.04989	8.3
83.08617	22.4
85.06564	12.4
91.05492	21.3
93.07048	52.8
95.04974	7.6
95.08614	58.3
97.06541	11.1
97.10162	6.6
99.08095	3.9
103.05456	2.8
105.07022	18.4
107.08593	31.9
109.06492	5.2
109.10167	44.4
111.08105	8.1
117.07031	6.6
119.08594	20.0
121.06486	3.9
121.10143	52.1
123.11721	14.5
125.09650	4.0
131.08578	9.3
133.10129	22.6
135.11699	50.4
137.09709	2.9
139.11192	6.1
143.08636	3.0
145.10129	11.5
147.11673	12.4
149.09633	4.0
149.13287	18.8
151.11241	5.5
153.12700	3.7
157.10103	6.4
157.12251	10.3
159.11726	10.4
161.13292	10.5
163.11195	4.9
164.68994	2.5
169.02864	2.5
171.11731	8.7
173.11826	5.4
173.13309	8.2
175.14854	7.1
177.12740	4.6
179.93956	2.8
181.12262	5.6
185.13310	5.4
187.13258	4.4
190.11775	2.7
195.13861	3.4
209.15460	3.1
231.21014	7.9
241.19510	9.0
249.22171	19.4
259.20657	21.0
277.21628	87.7
295.22699	24.2
313.17798	6.9
313.21188	4.5
313.27325	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	313.2374
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
51.70729	0.9
53.03938	2.6
55.01868	7.2
55.05267	1.6
55.05514	25.8
57.03428	2.2
57.07064	2.2
59.04987	1.3
63.00207	1.0
67.05509	50.4
68.50228	1.1
69.03424	3.0
69.07072	100.0
69.87304	4.4
71.05009	5.9
73.06174	1.1
73.06560	15.6
74.88287	1.2
77.03919	1.2
77.94238	1.0
78.70745	1.0
79.05499	38.3
81.07063	59.9
83.04983	7.3
83.08623	14.6
85.06544	10.6
91.05488	17.7
93.07052	32.2
95.04983	4.0
95.08611	33.9
97.06538	23.1
97.10178	15.5
99.08101	6.4
105.07041	17.2
107.08596	31.0
109.06522	4.2
109.10159	19.5
111.08078	4.9
113.09635	2.0
115.06784	1.6
115.07567	22.4
117.07001	4.2
117.52425	1.1
119.08608	12.6
121.09317	1.7
121.10156	30.7
123.08043	1.8
123.11744	6.5
125.09636	17.6
129.07027	3.9
131.08589	6.7
133.10132	11.2
135.08087	1.7
135.11702	28.9
137.09615	2.3
137.13284	3.0
139.11160	1.9
139.35770	0.9
143.08543	2.4
145.10127	6.2
147.11693	19.0
149.09601	1.3
149.13312	8.1
151.11215	2.7
153.09084	1.8
157.10028	1.0
159.11668	4.9
161.13283	9.3
163.11165	3.2
163.14838	6.8
165.12749	6.2
171.11728	4.9
173.11682	1.1
173.13246	3.0
175.14886	3.0
177.12756	1.6
179.14331	2.7
181.12231	2.7
181.15997	2.1
185.13251	3.6
189.11217	5.3
189.12810	2.9
193.15755	2.1
195.13774	4.5
199.14825	2.5
207.13802	1.9
209.15472	1.2
212.11942	1.2
221.15399	2.7
231.21175	1.5
235.16850	2.0
241.19556	8.1
259.20541	17.6
277.21649	55.6
278.21893	1.1
295.22696	37.8
313.23792	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	313.2375
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.03949	6.6
55.01867	8.5
55.05515	49.0
56.96564	8.2
57.03425	5.7
57.07075	10.7
59.72088	3.1
65.03937	6.6
67.05509	68.2
69.07065	48.4
71.04990	9.6
71.08616	5.3
71.57007	5.4
77.06382	3.0
79.05499	66.1
80.05827	8.5
81.03407	5.5
81.07062	100.0
83.04980	8.2
83.08619	44.8
85.02904	5.0
85.06548	7.9
91.05493	48.2
93.07047	82.1
95.04945	17.1
95.08611	57.5
97.06521	19.0
97.10164	9.7
98.97593	10.4
99.08095	17.4
101.05967	3.6
103.05488	30.5
104.05795	26.2
105.07036	32.4
107.04955	14.2
107.08600	40.6
108.05309	6.5
109.06544	6.7
109.10166	26.0
111.08088	16.2
115.07549	3.4
117.07015	11.0
119.08590	26.7
121.06487	16.6
121.10149	39.6
123.08080	10.0
123.11702	9.8
125.09631	14.0
129.06985	7.0
129.09113	14.7
131.04927	11.1
131.08557	10.4
132.05273	9.3
133.10136	23.9
135.08099	3.5
135.11702	31.1
137.09634	5.6
139.11110	4.9
143.08618	5.4
145.10143	10.6
147.11696	30.0
149.09633	4.7
149.13249	17.5
151.11151	5.7
157.10143	7.4
159.11745	10.0
161.09695	4.6
161.13245	14.1
163.11131	4.6
164.07094	18.4
164.52910	3.3
165.07443	16.7
165.12788	12.0
169.10265	3.7
171.11708	9.1
173.13284	3.7
175.11205	7.2
175.14833	3.8
177.12744	5.1
185.13338	6.4
189.12781	9.8
193.12209	5.8
195.13795	6.9
207.13725	16.1
212.92587	3.4
215.36772	2.9
221.15562	3.5
223.16676	3.5
224.33730	4.1
225.14801	8.1
231.17371	3.4
241.19618	7.9
249.21989	3.4
259.20605	15.4
277.18793	5.5
277.21664	83.7
295.22635	20.3
313.09402	4.1
313.12692	51.2
313.17862	24.6
313.21368	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	0.5
55.05513	7.6
57.03157	0.7
57.03439	15.3
57.07078	45.3
59.94970	0.3
63.98160	0.3
67.05173	0.5
67.05506	7.8
69.06723	0.6
69.07071	7.1
69.61162	1.8
69.61580	0.6
71.04977	0.5
71.08633	28.6
73.06562	0.4
79.05486	0.8
81.06590	0.7
81.07060	12.4
83.04986	2.4
83.08142	0.6
83.08621	9.4
83.83619	0.3
85.06528	0.8
85.10185	14.7
87.04460	0.4
87.32761	0.3
89.06039	2.3
93.07035	0.8
95.08606	16.3
97.06597	0.3
97.10172	4.8
97.73100	0.3
99.11736	0.8
103.07566	1.4
107.08610	0.7
109.10157	8.5
111.04465	2.2
111.11707	1.5
117.09124	0.6
119.08581	0.4
121.10121	0.6
123.11725	3.1
125.09673	0.3
125.13226	0.9
135.11574	0.4
137.13239	1.2
151.14793	0.5
159.10468	0.4
159.11720	0.4
163.14803	0.5
165.16335	0.6
195.10196	0.3
221.22678	0.7
239.23674	4.2
241.24965	0.3
257.24771	5.0
298.27408	0.9
313.27374	100.0
314.27863	0.7
329.83115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05332	0.2
56.96571	0.2
57.03439	0.5
61.01151	0.7
62.11637	0.2
64.96860	0.2
67.01860	0.2
69.03433	1.8
69.46346	0.3
69.99842	1.1
70.06599	0.8
73.02943	0.4
77.65150	0.2
80.94862	0.2
81.03872	0.2
81.07047	0.2
85.02914	0.8
86.99059	0.2
93.07065	0.2
94.04079	0.3
96.08184	0.2
97.02902	40.1
98.21384	0.3
98.97600	1.0
99.97958	0.2
106.06555	0.2
119.01765	0.3
119.03568	0.8
120.02570	0.3
121.06516	2.0
122.06894	0.3
134.06033	0.9
135.05417	0.4
136.06198	100.0
137.04625	0.4
137.05934	0.4
143.01631	1.9
148.06160	0.6
150.07710	0.4
152.05740	0.3
152.07053	0.4
152.10712	1.1
161.02686	1.5
162.07819	0.3
163.03911	0.3
164.05682	4.6
178.07288	2.3
179.03731	2.1
190.07207	0.3
196.09775	0.3
202.06038	0.3
203.45467	0.2
213.58948	0.3
218.98517	0.2
220.08354	0.3
222.59486	0.7
242.10201	0.3
248.07950	0.7
250.09384	0.6
278.07077	0.7
296.08145	3.6
314.09174	9.7
314.12152	0.7
314.15900	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1389
Annotation	Pessoine
Peak:m/z	Relative Intensity
53.03946	0.4
56.96552	0.4
60.41705	0.2
69.03432	0.2
71.56627	0.3
79.05498	0.4
81.07027	0.2
83.28275	0.2
91.05479	1.5
93.07040	2.4
95.04918	0.4
96.04480	0.2
98.97571	0.8
103.05473	2.0
104.05033	0.7
106.06549	3.2
116.98631	0.3
121.06515	10.5
122.06045	1.6
122.06827	0.4
132.04483	0.8
135.11676	0.2
148.41309	0.2
150.05511	49.2
153.58951	0.2
164.07062	0.4
176.07146	0.4
182.91193	0.2
194.08134	100.0
195.08478	0.5
222.48351	0.2
248.25674	0.2
258.04416	0.2
285.17188	0.2
314.13873	53.3
315.14331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.4
57.03432	2.5
61.02914	2.2
61.84080	1.0
69.03427	4.6
69.07063	1.6
70.06592	2.7
71.05007	2.7
72.08151	3.0
73.02913	1.3
73.06560	52.5
74.34681	1.0
79.05476	1.4
81.03417	2.4
85.02909	16.4
89.06043	19.1
91.05469	4.2
93.07038	1.7
95.04989	1.8
97.02888	6.6
98.21416	1.5
98.97590	3.1
106.06565	1.5
109.02872	1.4
116.07085	3.3
116.98602	1.1
117.09125	5.1
119.04969	1.7
121.02858	4.2
121.06506	7.9
122.03219	4.6
122.06846	1.7
123.04423	10.0
127.03963	2.4
133.54044	1.1
134.06027	4.2
135.10173	100.0
136.05203	6.6
136.06201	2.9
137.05977	6.9
145.04990	1.8
152.05695	2.9
152.06937	1.4
152.10721	1.4
153.07025	1.5
154.06279	6.7
155.08522	2.9
156.71228	1.1
163.03911	3.3
165.05562	1.4
165.06941	2.0
167.10658	3.0
174.55611	1.2
183.08043	4.5
193.06499	1.3
201.09088	3.1
208.78720	1.1
211.07588	3.9
221.96184	1.0
229.08530	3.0
282.15134	1.6
296.36896	1.1
314.12976	2.1
325.09906	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2116
Annotation	1-Methyl-2-(9-oxodecyl)quinolin-4-one
Peak:m/z	Relative Intensity
50.78368	0.1
59.48652	0.1
69.07024	0.1
69.41245	0.6
69.41664	0.3
69.56507	0.1
73.08289	0.1
80.61627	0.1
81.07062	0.1
87.04446	0.2
98.21493	0.3
138.67485	0.1
155.07283	0.6
156.08069	0.3
166.05022	0.1
172.07552	0.3
186.09175	0.7
187.09900	0.2
198.09174	1.9
199.09932	0.5
200.10735	1.8
210.14073	0.2
212.10709	0.4
216.10120	0.2
226.12248	0.2
229.10869	0.2
230.11789	0.5
242.11755	3.5
243.12640	0.7
252.17390	0.2
254.15297	0.3
255.16214	0.9
256.13333	0.5
270.18533	12.6
296.19977	0.2
298.18027	0.9
299.18716	0.6
314.21140	100.0
315.21439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.9882
Annotation	Perfluorohexanoic acid
Peak:m/z	Relative Intensity
57.02184	3.3
71.54773	3.7
71.55161	3.9
84.91187	4.4
87.94839	2.6
94.93010	13.4
96.25061	2.6
110.45782	2.6
110.93943	2.6
112.89596	6.2
114.89316	5.6
118.50552	2.7
136.93988	5.2
157.16585	2.4
160.94023	8.5
164.93535	100.0
178.75279	2.6
188.93527	33.2
206.94479	4.1
213.00087	4.3
278.98871	20.9
296.97736	94.4
309.53992	2.5
314.98840	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.9995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81119	0.5
54.93650	1.2
54.93935	3.2
56.03057	0.5
56.96357	1.0
56.96661	4.7
57.09267	0.5
57.21396	0.5
68.72930	0.5
69.95863	3.7
69.96288	23.4
70.02565	0.5
71.56431	0.8
71.94199	0.8
87.97298	1.2
98.97028	1.2
98.97725	14.4
100.99230	0.6
101.00983	1.3
105.23608	0.6
106.20528	0.5
110.79552	0.6
113.95273	0.7
116.98637	8.7
118.98333	0.6
119.02071	2.8
131.95267	1.1
131.96155	17.9
134.99655	2.8
141.02396	2.4
145.01820	0.8
149.97221	14.5
159.03477	2.0
163.02948	1.9
167.30200	0.5
169.01775	1.2
177.00972	3.7
178.01271	1.0
181.03976	0.6
185.01387	1.9
189.95224	2.6
190.95038	1.6
201.01033	1.1
203.02412	3.0
205.03922	1.5
205.94684	1.0
207.96281	8.8
207.97903	0.6
208.96162	2.0
211.02919	0.8
213.95306	1.0
216.98799	1.2
219.02029	7.9
219.03917	0.8
220.02113	4.0
221.01924	1.5
229.03954	1.8
231.96265	9.0
232.96075	1.9
233.03581	1.1
234.99863	0.9
243.02087	2.2
247.04939	1.1
248.94025	0.9
249.97356	25.9
250.44072	0.6
250.97044	1.3
255.02223	0.7
255.96103	3.7
257.02841	0.6
258.99899	1.0
259.99985	0.9
261.00052	1.0
261.03064	6.6
262.03290	1.7
263.02899	2.3
266.95279	1.0
268.94022	0.7
272.94394	1.6
273.03320	1.3
273.06708	3.8
273.97311	61.6
274.97562	1.9
277.00992	0.8
278.01059	1.5
289.46024	0.6
290.95297	2.4
291.04471	0.8
291.07803	2.0
291.98373	100.0
292.98822	1.4
295.81897	0.6
296.98969	1.7
300.47867	1.0
300.85089	0.6
301.00809	0.6
302.01630	0.5
309.95990	0.9
314.95389	6.4
314.99835	3.8
315.03842	0.8
315.07504	21.7
332.96368	4.7
333.05066	1.0
333.08542	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	315.0864
Annotation	Ochrolic acid
Peak:m/z	Relative Intensity
50.97615	1.0
51.36948	1.3
52.21225	1.1
53.03941	1.5
55.01865	2.3
55.05512	2.7
56.96550	1.3
67.05494	1.2
69.26462	8.6
69.26875	2.9
70.06598	8.8
72.08154	6.5
79.05500	3.0
81.03407	1.7
83.05024	1.1
84.08155	2.1
85.06564	1.1
86.09693	2.6
91.05505	6.2
93.07036	8.4
95.04969	3.3
95.08601	1.7
98.97591	1.6
102.59756	1.1
103.05486	6.0
105.07049	1.4
107.04972	2.4
109.02898	3.0
111.04482	1.2
112.60479	1.2
115.05461	17.4
119.04942	2.0
119.60077	1.0
121.06543	1.6
121.10148	11.6
123.04436	35.7
131.04942	11.1
133.06499	1.7
135.04425	2.3
137.02353	4.6
137.03304	1.2
137.05980	11.6
138.09146	4.1
143.04939	19.2
145.02896	1.4
146.06042	1.6
147.04436	5.3
149.05972	10.9
149.09628	2.2
152.06227	3.5
153.06960	1.7
159.04433	10.6
160.05220	22.3
161.05988	25.7
162.06718	1.7
163.03899	2.6
163.07574	1.6
165.05498	8.0
165.07024	4.3
166.07726	1.6
167.08559	7.8
167.10681	2.7
173.06006	1.8
176.06171	5.6
177.05487	11.2
177.07024	25.6
178.07817	3.5
179.08632	4.1
181.06569	6.0
187.03854	9.6
193.06531	1.7
194.07341	2.0
195.08066	16.1
197.06088	2.6
198.06750	3.0
199.07491	1.9
205.04901	8.3
205.06531	46.2
207.08086	4.0
208.05064	2.0
210.06781	4.0
211.07672	2.8
213.09071	5.9
221.06136	1.6
222.06741	2.7
223.07541	73.1
224.08237	2.1
225.09149	4.7
226.06247	10.3
227.07007	3.7
233.06006	14.3
234.06772	1.8
235.07550	1.5
237.05559	1.2
237.09262	3.4
239.07072	2.3
240.07800	2.1
241.08598	14.0
242.05757	3.5
250.06424	2.3
251.07047	66.0
252.07724	3.8
253.08612	6.4
254.05711	2.0
255.06554	2.8
255.10204	2.6
256.07251	1.8
261.05539	2.2
265.08615	3.1
268.07339	2.2
269.08090	100.0
270.08691	2.2
271.09680	4.5
279.06522	48.7
282.05234	1.7
283.09592	5.7
285.11313	2.2
287.06284	0.8
287.09137	22.0
293.23889	1.2
297.07620	95.8
297.18146	3.7
315.08673	32.5
315.12305	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	315.0863
Annotation	Ochrolic acid
Peak:m/z	Relative Intensity
50.21341	0.8
55.01868	1.9
55.05502	1.6
56.21208	0.7
56.96558	1.0
57.03438	1.3
67.05498	1.8
68.99759	0.8
70.06597	4.4
71.57713	1.2
72.08140	3.2
75.04488	1.4
77.03972	0.8
79.05482	2.9
84.04516	1.3
84.08138	1.6
85.02906	1.4
86.09705	3.7
89.36855	0.8
91.05464	5.0
93.03402	1.1
93.07053	10.1
95.04968	2.4
95.08608	2.0
97.02886	1.4
98.97581	2.5
102.66290	0.9
103.05473	6.0
105.03416	2.0
105.07036	2.8
107.04966	3.2
109.02895	2.4
109.06559	0.9
111.04485	2.2
111.08073	1.3
115.05464	20.3
116.06284	1.3
116.07127	1.1
116.98661	1.0
117.03443	0.9
117.07016	0.9
121.02840	0.8
121.06529	3.3
121.10155	9.5
122.03655	1.1
123.04433	37.8
123.05335	1.9
131.04945	13.5
131.08589	1.2
133.02798	1.9
133.06519	2.2
135.04433	2.5
137.02370	5.7
137.03273	1.1
137.05980	11.9
138.09135	4.0
138.28818	0.9
139.03902	1.6
143.04933	20.6
144.05730	1.5
146.06123	0.9
147.04359	4.4
149.05977	7.3
149.09634	1.5
152.06151	4.3
153.05472	1.1
153.07028	2.1
158.65259	0.9
159.04428	13.7
160.05203	22.6
161.04639	1.1
161.05986	23.7
162.06773	3.3
163.03900	2.8
163.07542	1.4
165.05513	7.7
165.07018	5.3
167.08566	10.1
167.10732	2.1
169.06482	1.2
176.06215	4.7
177.05489	10.3
177.07013	26.3
178.07796	3.4
179.08580	6.8
181.05096	1.7
181.06483	7.1
183.08075	1.0
187.03870	11.5
193.06358	1.3
194.07281	4.6
195.08061	15.1
197.05986	3.5
198.06813	1.6
198.48534	0.9
198.50459	0.8
199.07545	2.2
205.04892	9.7
205.06534	49.4
206.07208	2.7
207.08105	5.5
208.05266	1.6
209.05965	1.3
210.06769	3.8
211.07544	1.8
212.08244	1.0
213.05504	2.1
213.09068	4.7
215.06720	0.9
221.06013	1.6
222.06778	3.5
223.07549	77.9
224.08316	1.5
225.05614	1.3
225.09111	5.2
226.06239	8.6
227.07056	3.1
233.05983	19.7
234.06837	2.9
235.07507	2.8
237.05478	2.1
237.09290	1.9
238.06631	1.2
239.06937	1.5
240.07841	1.7
241.05017	1.1
241.08658	15.1
242.05833	4.9
250.06184	1.9
251.07043	64.7
252.07730	3.3
253.08641	6.2
254.05759	1.9
255.06601	2.9
255.10187	2.5
258.05225	1.2
261.05444	2.2
265.08524	5.9
266.66052	1.1
267.10223	1.2
268.07413	1.6
269.08093	100.0
270.08740	4.4
271.09677	5.5
272.06842	1.3
279.06531	47.6
280.06998	1.2
282.05197	1.5
283.09692	5.0
285.11194	2.4
287.09158	16.9
287.12183	1.7
297.07620	98.7
297.11240	6.1
297.18222	2.7
298.07977	1.6
315.05072	1.4
315.08670	32.5
315.12354	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	315.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01872	6.2
55.05507	2.8
57.03433	1.4
67.05495	2.4
68.99786	3.1
69.03443	6.2
69.07076	1.4
71.01356	1.7
71.04984	2.1
71.56315	1.4
73.02912	1.1
79.05477	2.6
81.03432	4.9
81.07050	3.7
83.04996	1.5
85.02912	10.1
87.00828	8.2
91.05494	4.5
93.07055	3.2
95.01332	2.1
95.04963	2.5
95.08591	1.2
97.02895	3.1
99.04452	1.6
103.05478	2.5
105.07045	2.9
107.08609	2.5
107.27771	1.0
109.02896	2.2
109.06567	1.8
109.10123	1.0
111.04424	1.7
115.03931	0.9
115.05463	10.0
117.07026	4.1
119.04947	1.2
119.08590	2.7
121.02824	1.0
121.06511	3.9
123.04446	2.1
123.08006	1.1
127.03954	4.5
128.06250	6.6
129.07005	14.5
130.07811	1.4
131.04918	1.5
131.08600	2.2
133.06508	1.6
137.05966	1.8
141.06993	10.4
143.08577	2.1
144.05704	1.4
145.06491	4.3
145.10179	2.4
147.04425	1.8
147.08066	2.1
147.11682	1.0
151.11191	1.2
152.06239	2.8
153.07010	25.9
154.07793	8.8
155.04944	2.0
155.06064	2.0
155.08563	50.8
157.05208	2.0
157.06503	34.9
158.07286	4.9
159.08067	11.0
165.05611	1.7
165.07013	33.4
165.12726	2.2
167.08484	0.9
168.05734	16.4
169.06448	7.3
170.07237	1.6
171.04427	4.0
171.08064	5.0
172.08922	1.1
173.09633	6.2
175.07501	2.5
181.06479	4.0
182.07237	5.5
183.08067	78.3
184.05289	1.0
184.08643	1.3
185.05963	7.0
187.07597	2.8
193.06392	7.5
194.07150	0.9
197.05997	1.2
199.07553	5.2
201.09122	68.6
207.08212	1.1
211.07559	100.0
223.07401	1.5
227.07027	2.4
229.08621	79.0
236.77283	1.0
243.06668	1.5
243.09169	0.9
247.09671	2.5
251.07022	1.7
255.06523	2.3
261.07602	1.2
261.10217	1.9
269.08139	2.8
297.07556	3.7
315.08670	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1052
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
55.05515	0.3
56.96553	0.6
69.03426	0.4
70.06581	0.5
70.15131	1.5
71.04993	0.8
72.08154	0.4
78.59187	0.3
80.43245	0.3
85.02901	0.8
85.06544	0.8
87.54420	0.3
88.90795	0.3
91.05474	0.4
97.06527	0.3
98.97585	1.1
114.99196	0.3
123.04433	0.5
134.35095	0.4
135.04425	0.8
137.06026	0.7
139.05081	0.4
151.03860	0.5
153.05336	1.4
153.06563	0.7
161.06038	0.6
163.03902	0.5
165.06865	0.4
167.07027	0.3
169.04771	0.3
169.06102	0.5
176.73523	0.3
185.04305	0.4
203.05305	0.7
205.06465	0.4
206.86549	0.3
219.01749	0.4
223.07394	0.9
251.07063	0.4
283.09665	0.7
297.11111	0.5
315.10510	100.0
316.10852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	4.8
69.03431	9.3
69.07074	5.5
71.01359	2.7
71.08630	3.0
71.58450	3.1
74.04371	2.3
79.05495	6.2
81.07055	11.2
81.54390	2.2
81.96931	2.5
91.05482	9.4
92.05791	2.5
93.03403	8.9
93.07063	5.0
95.04943	2.5
95.08617	8.0
97.02893	56.4
98.97596	3.4
105.07035	6.3
107.08568	2.7
109.02896	3.8
109.10122	5.1
111.04447	22.0
116.84550	2.6
119.08583	4.3
121.02872	44.1
121.06515	11.5
121.10203	3.1
123.00780	7.9
124.17445	2.8
133.10181	3.8
135.04405	16.6
135.11703	2.9
137.05963	12.5
139.03923	29.3
149.02351	96.5
149.05989	6.1
153.05478	7.5
155.14291	5.9
161.05981	6.9
163.03891	21.4
167.03401	26.7
177.05450	10.9
177.06870	3.8
181.04979	34.9
183.53537	2.5
187.53506	2.9
191.03407	100.0
195.08093	4.9
199.07571	2.8
205.04973	27.7
208.05194	2.7
209.04482	39.2
212.20117	52.6
223.05936	37.8
227.12000	2.8
241.07057	59.0
241.09270	5.0
251.07143	3.6
265.08548	3.1
269.08035	3.3
273.09592	3.2
283.09769	12.7
297.07813	3.8
297.11658	4.0
315.08344	7.6
315.12314	13.4
315.21793	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	315.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38821	1.6
55.67711	1.9
57.07071	1.9
58.42198	1.8
65.03943	3.0
67.05509	3.5
68.00285	1.9
68.78195	2.2
69.03428	12.7
69.07061	2.2
71.31164	2.0
79.05514	4.7
81.07058	4.0
86.09712	3.6
91.05487	10.0
93.03408	6.1
93.07047	4.0
95.01314	3.6
95.04986	1.9
95.08626	6.1
97.02901	64.6
97.25443	1.7
103.03926	2.4
105.07019	4.5
107.04971	5.0
109.02892	2.6
111.04440	23.6
115.05415	2.1
119.04970	3.4
119.08575	3.1
121.02878	37.3
121.06447	2.4
123.00791	4.5
131.04938	2.0
135.04428	18.4
137.05998	7.1
139.03899	28.9
141.01833	2.2
145.02846	3.2
149.02351	100.0
149.06003	5.1
150.06744	2.3
151.11139	1.9
153.05441	5.6
155.03384	3.6
161.05991	7.1
163.03903	23.3
165.06989	1.8
167.03384	20.4
173.02357	2.3
177.05487	11.8
177.06961	3.9
181.04979	22.4
181.06456	1.9
191.03403	94.3
195.08058	5.2
205.04985	22.0
205.06673	2.1
208.05186	3.0
209.04463	33.5
209.36053	1.8
213.05396	1.9
222.06735	2.6
223.05936	30.1
237.09113	4.4
240.07765	4.7
241.07059	52.6
251.07103	2.7
255.10126	5.7
265.08710	3.5
269.08109	5.2
283.09686	19.9
284.10056	2.6
285.11200	4.2
315.08508	7.6
315.12305	10.4
315.21445	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	315.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.8
55.01868	5.5
55.05500	21.9
56.96560	14.9
59.47499	5.4
65.03951	6.6
67.05522	29.3
69.03421	14.4
69.07072	15.4
71.04984	23.7
71.57971	5.9
73.02916	8.8
78.74647	5.9
79.05494	77.2
81.07061	81.0
83.04970	8.3
83.08603	11.1
85.02890	8.3
85.06535	8.4
91.05481	77.0
93.07056	63.4
95.04962	22.0
95.08627	30.5
97.02915	8.0
97.06538	15.7
98.97602	35.5
99.04454	13.0
103.05445	9.8
105.07042	68.7
107.04987	10.9
107.08611	32.1
109.06511	23.8
109.10136	12.4
111.04447	12.3
112.99176	6.1
115.05464	11.9
116.98637	11.9
117.07044	29.1
119.04958	18.5
119.08585	42.2
120.12204	5.4
121.06506	66.9
121.10128	15.4
123.08092	7.1
123.11714	19.0
125.06059	6.4
128.06204	22.9
129.06964	30.1
130.07780	14.8
131.08578	44.5
133.10132	20.2
135.08083	10.1
135.11693	6.6
137.05988	16.9
141.07002	14.3
142.07764	32.1
143.08569	65.8
144.09334	7.4
145.06400	10.3
145.10143	100.0
147.04436	38.3
147.08119	6.8
147.11684	8.0
149.09581	6.5
151.11197	22.9
153.07085	8.8
155.08519	26.3
156.09392	27.5
157.10150	70.9
158.07274	7.2
158.99582	6.2
159.08078	34.1
159.11697	10.3
161.09612	12.2
165.07082	15.4
166.07765	8.6
167.08574	11.0
167.99301	5.3
169.10136	36.2
170.10893	13.0
171.08081	13.1
171.11719	95.8
172.12408	6.1
173.09630	18.6
177.09180	13.2
179.08617	31.2
180.09293	10.0
181.10100	22.6
183.08104	26.8
183.11710	14.4
185.09677	8.9
189.09128	17.4
191.10658	7.8
193.10135	18.0
194.10977	13.2
195.08183	6.3
195.11757	17.5
196.12498	6.2
197.09660	30.1
197.13301	6.7
198.10385	22.6
199.11227	26.9
201.09169	14.8
209.09657	19.5
209.13234	35.1
213.09210	7.9
215.10791	14.7
216.11560	25.3
217.12363	10.0
221.09721	9.3
223.14833	26.2
227.14102	7.5
231.76007	5.2
233.13309	9.6
235.14734	6.4
236.12021	9.2
237.12750	13.9
251.14326	46.5
255.13818	15.3
269.15393	32.8
279.13803	19.6
291.18555	7.6
294.59622	6.1
297.14874	30.1
297.18082	7.7
315.07852	19.0
315.15457	33.4
315.19128	18.0
333.08963	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	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.7
54.32393	3.4
55.01876	21.7
55.05515	33.6
57.03448	25.4
57.07076	6.4
57.97263	4.2
59.05011	5.8
61.02922	16.9
67.05502	12.1
69.03441	34.6
69.07073	19.2
69.64745	21.0
69.65135	8.3
71.01347	9.1
71.05001	75.3
73.02919	25.8
76.62024	4.1
79.05490	24.9
81.03427	13.0
81.07050	29.0
82.65428	3.5
83.04984	6.5
85.02911	66.7
87.04492	7.8
91.03936	4.7
91.05476	42.2
93.07051	63.2
95.04972	14.9
95.08598	25.1
97.02885	18.4
99.04460	7.1
103.03944	12.1
105.07034	69.0
107.08607	71.6
109.06528	30.1
109.10161	10.8
109.45992	4.4
111.08067	7.6
115.03941	13.4
117.07022	19.9
119.08598	68.6
121.06506	13.3
121.10162	13.6
123.08095	21.2
125.09757	3.8
127.11156	4.3
128.06215	6.3
128.15541	3.5
129.07002	7.0
131.08572	31.9
133.04984	35.3
133.06548	12.6
133.10144	9.7
135.08080	8.5
135.11699	32.9
137.09647	8.5
141.07109	4.1
143.08603	18.9
145.04945	5.6
145.10138	32.0
147.08080	41.7
147.11713	10.4
149.09627	14.5
151.11163	10.3
153.12776	16.3
155.08556	13.1
157.06482	4.5
157.10172	5.3
159.08098	13.4
159.11673	11.8
161.09636	9.3
161.13223	4.3
163.11246	19.5
165.12761	100.0
171.08040	8.9
171.11700	8.0
173.09645	33.3
173.13263	8.6
175.07574	6.7
177.12782	33.2
183.08148	4.2
183.10118	5.1
183.11674	6.9
189.12830	24.2
191.10689	6.1
193.08638	4.5
197.13284	6.6
201.09042	5.5
201.12733	13.0
207.13788	10.2
209.11674	6.5
211.07613	6.3
215.14357	4.5
219.13829	15.2
231.13820	16.2
243.13843	12.1
261.14865	23.2
279.15701	18.4
297.16931	12.0
315.18121	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01874	18.1
55.05295	3.5
55.05515	36.4
57.03441	28.5
57.07053	6.3
59.04997	7.0
61.02932	15.5
67.05491	13.3
69.03135	2.9
69.03439	35.4
69.07081	20.1
69.87263	16.0
71.01350	9.1
71.04638	4.7
71.04996	53.2
73.02917	24.9
77.53057	3.2
79.05488	21.4
81.03410	12.2
81.07059	40.2
83.04957	8.1
85.02914	57.3
87.04462	4.4
91.05478	42.0
92.58441	3.0
93.07051	64.0
95.04963	14.4
95.08591	20.0
97.02910	23.4
97.06554	5.6
98.70933	3.1
99.04468	3.7
103.03927	11.4
105.06387	4.1
105.07040	56.9
107.04927	4.8
107.08604	73.9
109.02866	4.4
109.06528	32.2
109.10166	29.5
111.04449	4.1
111.08063	7.7
115.03928	15.3
115.05415	3.8
117.07013	16.5
119.04898	4.5
119.08605	57.1
121.06551	16.9
121.10145	10.4
123.08089	26.6
123.11721	8.2
127.03926	9.0
127.11211	11.3
128.06221	5.8
129.05472	3.9
129.06996	7.8
130.07774	4.4
131.08556	28.5
133.04965	25.6
133.06522	12.3
133.10101	14.2
135.08043	9.5
135.11710	27.1
137.06039	3.7
137.09622	13.5
139.11153	4.2
143.08559	15.5
145.04955	5.6
145.06464	3.2
145.10144	25.1
147.08058	34.8
147.11673	12.5
149.09572	11.0
149.13336	3.7
151.11160	11.3
153.06989	4.1
153.12756	21.1
155.08522	5.4
157.10118	5.4
159.08063	11.8
159.11687	10.1
161.09641	9.2
163.11172	14.2
165.12773	100.0
171.08218	3.6
171.11633	7.3
173.09624	30.9
173.13264	13.8
175.07578	6.2
175.11119	4.1
177.12776	23.3
179.10747	4.1
183.08018	4.8
183.11652	4.9
187.11232	6.6
189.12759	13.6
191.10620	12.2
193.08585	3.6
195.13808	7.0
201.12708	10.8
207.13733	7.9
209.11852	4.6
219.13824	16.4
226.16574	3.0
231.13884	9.9
237.14908	3.8
243.13753	9.5
261.14871	16.0
279.16019	16.8
297.17004	11.5
315.14771	3.4
315.18115	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	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.2
55.01889	30.0
55.05519	48.9
57.03439	39.9
59.04990	8.9
61.02921	19.5
67.05492	24.2
69.03435	47.1
69.07074	29.8
70.81844	11.6
71.01362	12.1
71.05002	76.6
73.02923	31.6
79.05493	38.0
81.03418	21.0
81.03851	5.2
81.07045	48.3
83.04964	13.4
83.08618	5.7
84.08157	6.6
85.02915	84.7
85.06551	48.6
86.09717	8.2
87.04479	9.0
91.05488	55.6
92.56670	5.2
93.07057	86.3
95.04961	19.1
95.08615	39.4
97.02904	39.8
97.06532	17.0
98.97570	11.8
99.04458	7.2
103.03963	17.7
103.05441	13.2
105.04511	5.6
105.07044	85.2
107.04960	12.2
107.08609	89.7
109.02901	12.8
109.06531	46.6
109.10146	21.5
111.04453	12.4
111.08083	8.9
115.03973	25.8
115.05465	15.8
117.07027	21.4
119.04948	10.3
119.08602	76.4
121.06509	16.3
121.10143	26.8
123.04417	27.1
123.08105	26.7
123.11671	8.0
125.09647	6.0
127.03914	10.2
129.05475	7.6
129.07014	10.6
130.07794	6.8
131.04951	11.3
131.08595	39.7
133.04996	37.0
133.06480	19.1
133.10133	12.3
135.08086	14.5
135.11700	40.7
137.05991	48.1
137.09599	13.1
138.09152	8.5
139.11174	10.5
141.06926	7.4
143.04926	14.4
143.08534	17.9
145.06506	8.7
145.10107	38.2
147.04443	9.0
147.08070	50.3
147.11662	16.3
149.05956	7.3
149.09615	20.2
151.07588	12.3
151.11185	23.1
152.06149	6.9
153.05537	8.1
153.06982	5.9
153.12807	30.5
155.08559	9.2
159.04465	13.7
159.08080	14.8
159.11710	17.8
160.05165	15.0
161.05969	29.1
161.09610	10.7
161.13225	11.7
161.94078	5.1
163.07529	18.8
163.11230	14.8
165.05710	5.7
165.07002	26.4
165.12772	100.0
166.07779	10.6
167.08565	13.1
167.10683	10.6
171.08072	8.7
171.11711	5.7
173.09615	36.4
173.13274	11.0
175.07585	6.7
175.11154	6.2
177.05559	6.6
177.07024	20.0
177.12775	23.6
178.07729	7.2
179.08553	6.3
181.06453	10.8
183.08006	7.9
183.11734	9.9
189.12740	20.7
191.10669	12.4
193.06494	9.4
194.07278	31.1
195.08009	18.0
201.12790	8.2
205.06548	31.3
207.13925	7.2
209.11626	7.1
210.06723	14.4
211.07628	10.0
211.09578	5.9
219.13791	16.3
221.06039	8.8
222.06755	19.1
223.07515	45.7
225.09113	13.7
229.55089	6.9
229.57387	6.2
231.13826	15.3
233.05986	17.2
235.07631	8.6
237.09074	18.1
239.06999	10.9
241.08498	11.8
243.13826	13.4
251.07086	41.4
253.08653	20.0
253.29796	6.0
255.10269	8.3
261.14883	34.7
265.08536	47.8
267.10263	7.6
269.08112	45.1
271.09802	5.8
279.06564	24.3
279.15918	24.0
283.09689	25.7
285.11319	28.3
285.78748	6.4
287.09106	12.0
297.07584	66.5
297.11221	77.5
297.17023	12.6
315.08649	30.5
315.12283	45.0
315.17947	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	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01868	6.1
55.05509	9.1
57.03425	7.8
61.02917	7.3
67.05495	8.3
69.03432	28.0
69.07061	7.2
71.01377	3.3
71.04992	8.9
71.56986	3.5
73.02917	5.3
79.05500	22.0
81.03429	21.7
81.07051	30.1
81.26134	2.4
83.04964	9.1
83.08636	2.4
85.02419	4.4
85.02911	60.5
85.06547	3.2
91.05485	26.6
93.07050	100.0
95.04989	14.1
95.08616	26.3
97.02909	11.2
97.06548	5.5
99.04440	6.3
103.03942	6.4
105.07042	31.1
107.04957	5.7
107.08605	99.8
109.02858	5.7
109.06526	7.5
109.10129	7.0
109.35008	2.6
111.04443	10.2
113.06021	2.7
115.03922	3.3
117.07004	4.1
119.08582	16.6
121.06532	4.5
121.10138	10.2
123.04418	4.6
123.08075	10.0
123.11727	3.1
123.95543	2.1
125.06020	4.2
127.03031	2.2
127.03906	10.4
129.07019	5.6
131.08560	13.5
133.04965	5.2
133.06523	3.8
133.10139	11.0
135.08083	4.1
135.10677	5.1
135.11710	92.3
137.05986	4.0
137.09633	8.6
137.13231	3.9
143.08577	8.6
145.04999	7.0
145.10106	15.0
147.08055	3.4
147.11690	17.6
149.09671	2.8
149.13271	5.5
151.07552	4.5
151.11176	7.6
153.12753	33.0
157.10118	7.1
159.07970	3.9
159.11777	10.9
161.09616	3.9
161.13278	3.2
162.18727	2.3
163.05980	2.6
163.11188	14.4
165.09129	5.2
165.12778	53.0
169.08656	2.7
169.10110	2.8
171.11705	4.1
175.11284	3.5
177.12715	5.6
181.08665	5.9
181.12221	7.1
189.12845	3.8
191.14362	3.1
193.08585	4.1
193.12260	8.3
197.13327	4.7
201.12805	6.4
207.13812	5.6
215.14397	3.5
219.13779	5.8
225.12828	2.5
231.13783	9.5
243.13817	5.7
249.14992	6.9
252.72095	2.4
261.14917	18.0
267.10733	2.4
279.15967	28.8
297.07520	3.1
297.16974	19.6
315.17987	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	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04615	2.8
51.05742	3.0
53.03935	3.5
55.01867	5.1
55.05504	8.0
57.03430	7.0
61.02937	5.0
67.05507	7.5
69.03432	32.3
69.07061	8.4
70.05198	11.9
71.04993	8.5
73.02913	2.9
79.05495	16.9
81.03425	16.2
81.07069	32.7
83.04982	9.2
85.02911	59.9
91.05480	28.9
93.07050	98.7
93.07630	6.6
95.04976	14.1
95.08616	24.3
97.02904	10.6
97.06503	8.0
99.04453	10.6
103.03951	5.4
105.07050	30.5
107.04943	5.8
107.08608	100.0
109.02882	4.1
109.06506	9.7
109.10132	9.6
111.04465	6.7
115.03956	6.5
117.07005	5.7
117.76909	3.2
119.08603	20.9
121.06522	7.2
121.10140	11.9
123.04420	4.6
123.08072	6.5
127.03915	11.9
131.08569	10.9
133.05011	7.5
133.10146	14.6
135.08098	4.0
135.11699	80.6
137.05978	3.7
137.09627	7.3
139.11153	3.2
142.07805	3.3
143.08562	7.3
145.04970	7.0
145.10103	10.5
147.08148	3.9
147.11684	17.1
149.09630	5.0
151.11159	6.5
153.12773	22.9
157.10101	5.6
159.11716	7.0
163.11169	15.7
165.09146	4.4
165.12770	47.4
169.08681	3.2
173.09569	3.0
174.86531	3.0
175.11378	3.8
177.12784	7.1
179.56107	3.3
181.08618	7.4
181.12231	3.9
189.12770	5.0
193.12253	7.2
197.13229	3.3
201.12723	4.1
219.13770	7.5
231.13818	8.3
243.13887	7.9
249.14723	3.8
261.14798	17.4
269.08069	2.9
279.15997	22.9
297.17044	16.4
315.18048	25.6
331.36411	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60031	1.5
53.03938	5.1
54.01395	1.4
55.01862	6.7
55.05507	12.0
55.84303	1.6
57.03431	9.3
57.07072	3.2
59.04993	3.1
61.02922	8.5
67.05514	12.7
68.21029	1.4
69.03078	2.0
69.03431	25.5
69.07081	8.4
70.84785	3.1
70.85121	1.9
71.01363	2.1
71.04998	10.1
73.02916	6.6
78.37497	1.8
79.05491	22.5
81.03423	15.8
81.07066	27.8
83.04987	12.8
83.08624	1.7
83.34840	1.5
85.02912	59.7
87.04452	3.2
89.55000	1.5
91.05488	22.9
93.07050	91.2
95.04981	12.8
95.08614	30.2
97.02908	17.3
97.06532	11.7
99.04452	5.8
101.02359	1.5
103.03960	5.9
105.07038	34.9
107.04955	6.6
107.08599	100.0
109.02874	6.5
109.06511	14.0
109.10155	11.7
111.04443	7.9
111.08054	2.9
113.06012	4.4
115.03924	5.7
117.07006	4.7
119.08598	20.4
120.33410	1.8
121.06519	5.7
121.10149	15.0
123.04393	5.0
123.08076	9.5
123.11717	1.8
127.03920	11.9
128.06281	1.8
129.06995	4.8
131.08583	11.6
133.04945	6.3
133.06487	3.1
133.10162	9.4
135.08116	8.0
135.11702	75.4
137.05957	3.6
137.09631	9.0
137.13261	5.2
142.07805	3.1
143.08563	7.9
145.04930	7.0
145.10124	13.1
147.08031	6.9
147.11711	13.5
149.09637	3.1
149.13264	3.8
151.07542	4.7
151.11163	9.0
153.12755	31.8
155.07074	3.3
155.08545	2.9
157.10146	6.4
159.08061	2.6
159.11726	8.5
161.09651	3.1
161.13287	4.0
163.06120	2.4
163.11197	7.0
165.09164	3.8
165.12772	49.7
167.08565	1.9
169.08664	2.5
169.10117	3.0
171.08003	2.5
171.11751	3.3
173.08276	1.9
173.09647	6.7
173.13318	3.6
175.11159	7.0
177.09169	2.6
177.12732	11.6
181.08621	5.7
181.12177	2.9
183.10176	1.8
183.11697	4.0
189.12738	6.0
191.10728	2.3
193.08603	3.6
193.12253	6.4
195.13763	2.4
201.12776	4.3
203.14224	2.1
205.12267	1.7
207.13818	6.0
211.09645	3.3
213.12683	2.2
214.71848	1.4
215.14299	3.5
219.13808	9.3
223.07544	1.7
223.51588	1.9
231.13828	6.7
233.15485	1.7
237.14969	3.2
242.99304	1.6
243.13782	7.5
244.14351	1.7
249.14854	5.1
257.13739	1.6
261.14890	19.7
269.08099	3.1
279.15881	19.8
297.07681	4.8
297.16919	13.0
315.18051	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	315.1956
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
50.57725	0.7
53.03947	2.2
55.01867	1.0
55.05526	3.8
56.96570	1.0
57.03444	0.9
57.07056	1.0
67.05506	5.0
69.03434	3.8
69.07049	2.2
70.03236	1.6
70.03647	2.4
73.02928	0.8
79.05501	23.8
81.07067	12.7
83.04991	7.7
83.08613	1.5
88.42036	0.6
91.05484	7.7
93.07066	4.8
95.04981	3.4
95.08619	5.5
97.06538	5.4
98.20840	1.3
98.21413	1.2
98.97596	2.0
103.05472	1.4
105.07040	13.4
105.49680	0.6
106.07818	0.7
107.04973	6.0
107.08606	7.4
109.06535	2.5
109.10168	6.1
111.04440	0.7
111.08102	0.9
115.05444	1.5
116.06278	0.7
117.07044	1.5
119.04980	1.1
119.08577	10.1
121.06511	8.5
121.10149	8.5
122.07328	5.6
123.08092	1.2
123.11673	1.1
125.06000	1.1
125.09623	2.0
128.06187	1.3
129.06995	1.8
130.07764	0.7
131.08568	4.3
133.06566	4.5
133.10136	4.9
135.04398	1.4
135.08063	15.3
135.11656	1.3
137.09628	22.3
137.13235	1.2
141.07060	0.7
142.07782	2.3
143.08588	3.1
144.05698	0.7
144.09340	1.1
145.06528	2.8
145.10135	3.2
146.07353	1.0
147.08038	2.1
147.11702	3.6
149.09569	1.2
151.11229	1.2
152.06252	0.9
156.09349	1.2
157.10106	3.9
158.07326	1.2
159.08067	100.0
159.11665	3.2
161.09663	5.5
161.13269	1.4
163.11211	3.9
165.07062	1.3
167.08563	1.0
169.10101	0.8
170.10938	1.1
171.08070	2.1
171.11729	3.0
172.08817	1.4
173.09619	1.8
175.11198	1.1
179.08617	0.8
180.09294	2.5
181.10144	1.1
184.08885	0.8
185.08173	0.7
185.09633	3.0
185.13281	2.8
187.11194	2.9
189.12785	3.5
191.10687	0.9
191.14380	0.7
194.08180	1.3
195.08371	1.0
195.11739	2.2
197.13258	1.0
198.10451	1.3
199.11259	3.4
201.12762	1.6
203.14334	1.7
213.09155	2.4
213.12752	10.2
215.14520	0.8
223.11165	1.6
227.10718	1.3
227.17918	0.9
231.13766	1.6
237.12793	0.8
239.14345	0.9
241.12270	1.8
265.11935	0.8
269.19098	0.9
279.17529	1.3
297.18515	13.9
315.08609	1.4
315.19644	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	315.2531
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.03945	1.8
55.05512	24.0
56.96560	3.5
57.03427	3.3
57.07074	4.1
65.03900	1.9
67.05508	80.4
69.07069	24.9
69.40786	6.9
69.41214	7.4
70.21545	1.6
71.05002	9.1
75.51473	1.7
79.05065	2.5
79.05494	25.6
81.07059	100.0
83.04989	4.4
83.08623	15.3
85.06551	9.5
91.05483	13.1
92.24788	1.9
93.07040	28.7
95.04964	1.9
95.08611	94.0
97.06537	7.2
97.10171	11.1
98.97559	6.8
99.08077	3.9
105.07012	13.9
107.08595	26.3
109.06504	2.3
109.10156	47.6
111.08083	3.0
111.11733	3.8
116.98539	1.8
117.07030	2.7
119.08589	10.7
121.10139	23.0
123.08043	3.9
123.11723	24.7
125.09633	3.7
131.08553	7.5
133.10158	13.6
135.08078	3.5
135.11691	20.0
137.09563	1.8
137.13237	12.8
139.11211	2.9
141.09033	1.9
145.10147	7.3
147.11688	11.6
149.09677	2.7
149.13251	7.4
151.11179	3.2
151.14845	4.4
157.10274	2.0
159.11708	6.2
161.13271	16.0
161.16573	2.0
163.11223	1.9
163.14890	6.6
165.12796	5.9
173.11847	2.9
173.13275	4.7
175.14787	4.4
177.16365	3.1
179.14388	4.9
187.14864	4.7
193.15852	2.4
195.13780	4.5
201.16353	2.9
203.17973	2.3
205.15701	1.9
209.15294	3.3
223.16983	2.7
242.80664	1.7
242.88274	1.9
243.21080	12.2
261.22159	27.6
268.63828	1.8
279.23193	98.0
297.24216	19.5
315.07700	4.2
315.19495	2.2
315.22644	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89147	0.7
53.03942	1.3
56.96574	0.7
57.03441	1.6
59.04996	0.7
67.05531	0.7
69.03430	3.9
69.07066	1.0
70.06617	1.5
71.56026	0.8
72.08150	3.0
77.03936	0.9
79.05524	0.7
81.03420	0.9
81.07069	1.6
85.02917	7.3
86.09717	2.8
87.00800	0.7
87.04472	1.1
91.05482	4.2
93.07038	5.9
95.05003	0.8
95.06128	0.8
97.02901	29.2
98.97612	1.2
103.05467	3.3
108.08147	5.1
109.06497	0.7
110.11395	0.6
115.03930	5.7
116.07095	1.9
121.06521	100.0
123.04417	0.9
124.07599	3.2
136.06235	1.5
136.07620	2.2
143.03401	0.8
149.06013	1.9
154.07498	1.0
154.08641	17.1
156.08939	1.3
158.06879	1.4
161.04509	3.6
161.05672	0.7
166.07362	1.1
172.49229	0.6
183.07886	0.7
184.08389	3.1
194.06999	1.1
201.09003	0.9
202.09404	2.2
211.07520	1.1
212.07928	3.2
217.08597	1.4
230.08997	2.6
242.13786	0.7
245.30150	0.7
296.41907	0.8
316.08789	1.6
316.15155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02554	0.2
53.03956	0.3
55.05503	1.1
56.62671	0.2
56.96551	0.3
67.05499	0.2
70.06567	0.7
70.88981	0.3
71.09577	0.5
72.08154	0.4
73.98637	0.2
79.05474	0.5
81.07067	1.5
83.08618	0.4
84.08138	0.4
85.02904	0.7
85.06538	1.3
86.09732	0.8
91.05466	0.6
97.02874	0.8
97.05283	0.4
98.06085	0.6
98.09686	0.4
98.97587	0.5
108.08112	0.7
109.06521	1.5
109.10146	0.3
110.06029	0.7
111.06847	0.4
121.06512	0.3
124.07602	0.6
126.09148	1.3
133.06093	0.3
137.05988	0.7
138.06439	0.3
138.09201	0.2
139.06287	1.1
143.88487	0.2
151.03952	0.6
154.08643	100.0
155.09004	0.3
165.05522	1.2
177.05450	0.4
193.79196	0.3
213.35251	0.2
225.07613	1.0
266.08792	0.4
270.08054	0.5
271.11926	0.3
298.07806	0.4
298.11728	0.7
316.08694	0.4
316.14200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	3.9
69.90952	4.8
70.06590	1.2
72.08161	1.5
85.02911	6.8
86.09701	3.3
86.80378	1.0
87.00799	1.2
91.05466	3.0
93.07069	6.6
95.04991	1.7
97.02906	26.2
102.80528	1.0
103.05483	2.5
105.00575	1.2
114.82467	1.0
115.03946	5.8
116.07026	1.4
121.06519	100.0
135.33292	1.2
136.06212	2.7
140.07986	1.0
143.03436	1.4
147.04538	0.9
149.06007	2.6
152.10777	1.4
154.08614	2.1
161.04482	6.5
171.08025	1.0
184.08302	1.7
199.47603	1.0
204.42281	1.1
210.09235	1.0
212.07971	1.6
217.08585	1.6
230.08952	1.7
313.94724	1.4
316.08221	1.3
316.15356	2.2
328.68582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1544
Annotation	Buphanidrine
Peak:m/z	Relative Intensity
53.03944	1.9
54.22325	0.5
69.63667	2.8
89.60698	0.4
91.05489	10.5
93.06467	1.0
93.07047	14.4
95.04982	2.7
96.21398	0.6
98.21512	0.8
98.97600	0.6
103.05471	10.2
105.04517	0.9
118.06554	5.4
119.07269	0.7
120.08113	28.7
121.06512	88.3
122.06040	0.9
136.07602	4.3
146.06053	1.9
147.81708	0.6
152.10736	2.6
159.98096	0.4
164.07077	43.6
165.07373	0.6
187.46130	0.5
196.09724	10.2
219.05988	1.9
228.06546	0.9
240.13872	0.6
284.12830	6.9
312.02777	0.5
316.15448	100.0
317.15820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.285
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05517	5.0
56.05041	4.5
56.96570	1.1
57.03445	0.9
57.07084	3.3
58.05586	0.4
58.06607	0.6
60.04531	100.0
61.79712	0.5
67.05512	8.3
68.05048	0.7
69.07077	6.1
70.06618	1.1
70.94650	0.9
70.94982	0.7
71.08627	0.9
72.04533	1.8
74.06093	2.1
78.69251	0.5
79.05504	3.9
80.05021	0.7
81.03430	0.5
81.07066	8.5
82.06594	1.7
83.05012	0.7
83.08637	2.9
85.10168	0.6
86.06094	0.8
87.04470	1.8
90.05565	1.4
91.05486	2.9
92.49449	0.5
93.07052	3.7
94.06566	0.8
95.04949	0.6
95.08614	7.3
96.08139	0.9
97.06563	1.0
97.10175	1.7
98.06101	0.6
98.97552	0.7
100.07627	0.6
102.05565	0.8
105.07044	1.4
107.08587	2.2
108.08182	0.5
109.06535	0.5
109.10159	2.9
111.08064	0.5
112.07624	1.0
117.07011	0.5
119.08623	1.3
121.06511	1.5
121.10172	2.1
123.11734	1.2
133.10123	1.6
135.11711	1.2
147.11707	0.6
212.23874	0.6
214.31583	0.5
219.21106	0.9
243.65897	0.4
250.25337	1.5
251.23604	0.5
262.25296	1.5
263.23749	0.6
268.26318	1.4
280.26370	12.7
293.14221	0.7
298.27435	17.4
316.28494	60.6
317.28931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93093	2.7
55.05511	5.0
56.05032	4.0
56.96567	24.4
57.03421	8.5
61.02916	12.5
63.28040	3.2
69.03439	28.4
69.07061	4.9
69.93385	15.4
70.06580	10.3
71.04996	4.1
72.08136	13.3
73.02905	13.3
81.03424	5.2
82.06600	3.4
83.04973	4.9
83.06107	3.9
84.04489	14.3
84.08142	52.1
85.02431	3.5
85.02911	41.9
85.06518	3.3
86.09713	70.1
87.04456	9.3
87.05578	7.1
89.00819	3.3
91.05450	4.5
95.08527	3.5
97.02889	28.5
98.21431	4.6
98.97590	44.0
99.04460	7.2
101.00864	11.5
107.04974	5.1
109.02901	4.5
110.97527	7.5
111.23000	2.7
112.99114	5.9
115.02418	3.1
115.03977	5.3
116.07122	5.1
116.98599	14.3
119.01907	16.7
121.06502	6.3
122.07030	2.6
124.99107	3.3
127.03906	13.6
128.98584	8.5
129.10254	21.7
130.04977	9.3
131.00171	3.5
131.01881	3.4
133.03459	7.8
133.06075	27.3
135.04434	4.6
136.07552	3.7
136.93130	13.9
137.05997	8.4
138.05505	5.4
140.98598	4.4
142.65834	3.4
143.00140	7.5
143.01913	9.0
145.03452	6.0
145.04909	5.7
147.04326	4.7
147.07652	4.7
154.94189	14.7
155.03346	3.4
156.06493	4.0
157.03427	5.6
157.13365	30.1
158.99689	9.9
161.01378	3.2
161.02899	14.6
161.05927	4.6
163.03923	13.5
169.03455	3.3
171.01321	3.9
171.04941	5.1
172.95247	10.5
173.01196	8.2
175.02919	3.1
177.00784	6.4
182.03360	4.6
183.11287	3.7
185.01285	3.0
185.12837	15.4
187.04521	4.6
192.04605	4.2
196.95258	4.7
197.02914	3.7
198.06732	3.1
202.05954	6.3
205.05424	13.6
209.03009	4.4
211.02507	3.4
211.04512	3.9
213.00279	4.4
213.02354	3.9
214.06001	3.7
214.96381	15.5
219.01741	10.5
221.03258	6.7
225.57100	4.3
226.05956	11.6
226.07912	4.1
226.96466	3.1
227.06892	11.1
227.11415	3.8
237.02853	16.1
259.06516	4.7
274.97415	4.5
275.05878	5.4
280.09375	4.7
295.06802	4.2
317.06281	100.0
317.11847	24.2
317.18060	3.4
317.21890	16.4
335.06891	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	317.1023
Annotation	7-Methoxy-8-(2-acetoxy-3-methyl-1-oxobut-2-enyl) coumarin
Peak:m/z	Relative Intensity
53.03940	1.5
55.01659	0.8
55.01874	9.0
55.05523	0.7
62.62620	0.7
70.57042	1.7
70.57412	1.3
79.05486	1.0
81.03405	0.8
81.07034	1.5
83.04958	2.7
89.03930	2.2
91.05479	3.1
93.07066	0.8
95.01331	1.1
95.04980	3.4
103.05474	1.8
105.03396	0.9
107.04961	2.6
111.04463	0.8
115.05485	7.6
116.06252	1.1
117.03395	3.7
117.06984	1.4
118.04162	1.5
119.04926	1.5
123.00794	1.3
128.06219	7.0
129.07034	3.0
131.04933	2.1
131.08574	5.4
133.02791	1.2
135.04463	4.1
137.05984	1.5
139.03918	1.2
141.06998	28.5
142.07765	2.0
143.04956	1.4
143.08597	4.2
144.05687	2.1
145.02844	4.3
145.06488	4.8
145.10117	1.0
146.03569	2.5
147.04402	2.0
152.06224	4.4
153.07007	6.6
155.04922	2.5
155.06056	1.0
155.08540	2.3
157.06494	3.4
158.07162	1.3
159.04431	2.3
159.08055	5.8
161.02187	1.4
161.06006	0.9
163.03915	18.2
165.05612	1.5
165.06985	6.3
167.03419	2.1
167.08519	2.2
168.05760	1.9
169.06496	22.2
169.10124	0.8
170.07220	3.2
171.04382	1.7
171.08089	5.4
173.02371	2.2
173.06001	4.1
173.09496	1.0
175.03825	1.2
181.06454	2.2
182.03532	1.0
183.04376	1.4
183.08060	3.6
185.05939	4.3
185.09683	1.5
187.03929	2.0
187.07581	5.7
189.05447	4.8
191.03392	4.6
191.07050	1.5
193.04922	1.7
193.06500	2.1
195.04398	1.2
197.05997	25.3
198.06735	3.2
199.03868	1.3
199.07558	9.2
201.01776	1.2
201.05498	2.0
201.09055	1.0
205.04924	2.3
211.07541	5.7
213.05469	2.5
213.09059	1.3
214.06320	1.5
215.07010	11.1
219.02965	1.0
221.05997	2.7
223.03932	1.9
223.07494	2.8
224.04735	1.0
225.05486	41.6
227.03452	0.9
228.04204	1.0
229.08633	4.9
231.06633	1.5
233.04446	1.2
233.08113	19.8
239.07059	10.3
241.04951	2.4
241.08554	3.5
242.05756	2.8
242.29750	0.9
243.06549	63.2
247.03995	1.0
249.05472	4.9
251.05528	3.2
255.06480	1.7
257.08109	100.0
258.08777	5.2
259.05988	2.6
267.06491	11.1
271.09601	2.4
275.09164	32.2
285.07568	5.5
299.09210	6.6
317.10257	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	317.102
Annotation	Teucrol
Peak:m/z	Relative Intensity
53.03926	0.5
67.05515	0.4
70.01127	0.4
71.57030	0.5
79.05496	1.2
80.55103	0.4
81.03429	0.6
81.07051	0.6
82.34285	0.4
84.93294	0.4
89.03922	6.9
91.05484	1.0
103.05447	0.4
105.06971	0.5
107.04948	2.4
109.02883	1.3
117.03381	10.6
121.05259	0.3
121.06507	0.8
135.04424	19.5
137.06056	1.0
145.02855	13.5
145.04012	0.8
163.03914	100.0
164.04247	0.5
197.55264	0.5
206.66357	0.4
225.05402	0.5
257.08057	0.9
299.09274	0.6
317.10904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1234
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01867	7.2
57.03419	4.3
61.02914	8.3
69.03442	13.2
70.32586	8.2
71.01365	3.6
73.02908	5.0
79.05469	3.9
81.03403	11.4
85.02916	53.3
91.05485	16.9
93.07030	3.6
95.18795	3.2
97.02898	30.6
103.03938	8.5
103.05463	4.4
105.07024	21.9
109.02886	3.0
109.06501	3.3
111.04412	4.1
115.05465	14.8
117.06989	4.2
119.04948	9.4
119.08646	2.9
121.06480	14.0
123.04430	14.0
124.04738	7.5
127.03905	9.0
128.06221	4.0
129.07021	22.8
131.04942	7.5
133.06516	22.9
137.05988	100.0
143.04953	12.4
143.08578	4.5
145.04980	6.3
145.06470	7.3
147.04408	12.9
147.07996	3.3
149.05998	21.6
151.07564	47.4
153.07033	5.4
155.06873	3.4
157.06476	21.0
161.05978	39.0
163.06096	2.6
163.07541	4.8
165.05492	32.5
167.07051	12.9
171.08070	5.6
173.06015	10.8
174.06766	5.9
175.07536	24.0
177.05490	6.1
179.07054	75.1
181.06471	4.8
185.05986	11.7
187.07559	9.8
189.05493	6.9
189.09186	4.1
191.07045	16.3
195.06514	4.2
199.07535	10.5
201.05479	3.9
203.07037	65.7
205.08527	9.9
215.06967	5.8
216.85855	2.5
217.08565	13.0
221.08096	21.1
227.07051	8.5
233.08107	15.9
245.08128	28.5
251.09251	7.3
263.09177	45.2
281.10229	4.1
299.11209	7.0
317.11993	7.3
333.58441	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1235
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
50.31102	1.3
53.03930	2.2
55.01864	3.4
56.96571	1.5
57.03429	2.0
61.02918	3.8
61.46303	1.3
64.63946	1.5
69.03431	7.0
69.94489	4.9
71.01345	2.4
72.08136	2.1
73.02916	3.2
79.05505	2.1
81.03403	2.7
81.07050	7.3
85.02905	28.9
86.09706	2.1
91.05473	5.6
93.07040	1.6
95.08632	2.7
97.02919	6.7
98.03205	1.3
98.97574	4.6
101.00882	2.4
103.03915	3.9
103.05495	1.5
105.07018	6.5
109.02881	4.2
109.06528	11.0
110.79811	1.6
115.05422	3.9
119.01910	3.0
119.04986	2.2
121.06494	6.9
123.04452	1.8
123.08024	2.0
127.03889	4.7
129.07027	3.2
131.01889	1.4
131.04884	2.7
133.03467	2.5
133.06496	11.2
135.04424	1.9
136.06210	2.7
137.05977	100.0
145.04991	4.4
145.06396	1.9
147.04393	3.0
149.05933	4.5
151.07558	15.4
155.04666	2.4
157.06506	5.5
161.05977	32.8
165.05478	14.8
171.08040	1.6
173.05981	8.9
174.06773	2.2
175.04428	1.5
175.07576	4.0
177.00800	1.7
177.05571	2.0
179.07056	10.8
185.05975	6.7
189.05521	3.3
195.06564	2.1
199.07466	2.4
203.07030	21.7
217.08615	2.1
221.08104	3.7
227.06972	7.8
227.11259	2.1
236.07288	2.6
240.45132	1.5
245.08105	3.6
263.09134	14.7
309.08340	1.7
316.12555	1.8
317.04749	3.4
317.08258	1.7
317.14474	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	317.1598
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03936	1.6
55.01869	1.8
55.05502	1.1
57.03236	0.3
57.03445	3.5
59.04994	1.1
61.02930	5.4
66.55418	0.3
67.05510	5.1
69.03435	13.0
69.03811	0.8
69.07063	0.6
70.06588	0.6
71.04987	1.6
71.46835	0.3
71.54115	0.4
73.02921	2.6
73.44147	0.3
79.05508	2.4
81.03422	6.3
81.07063	0.7
83.01356	0.8
83.08633	1.8
85.02911	33.5
85.06550	0.4
86.09698	0.8
87.04469	2.1
91.03956	2.1
91.05471	1.6
93.07055	13.6
95.08612	42.3
97.02899	12.7
98.97579	0.5
99.04456	2.4
103.05434	0.6
107.08584	0.7
109.02885	3.2
109.06530	0.7
109.10148	2.1
111.08091	0.7
113.09641	0.3
115.03926	0.8
115.59835	0.4
119.08594	2.3
121.06509	0.5
125.09624	1.2
127.03919	7.4
129.60016	0.4
131.04887	0.7
134.70717	0.4
137.05984	1.6
137.09612	5.9
145.04974	6.6
155.10678	100.0
156.11073	0.8
157.08597	1.0
163.07539	1.0
167.07008	0.5
175.09680	1.1
185.04234	0.6
196.13362	1.3
209.05630	0.4
214.14392	14.1
214.16391	0.8
225.05711	0.4
261.00903	0.5
317.06650	0.8
317.12097	4.8
317.15982	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	317.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01875	1.5
55.05517	9.4
57.03429	3.5
57.07071	1.2
67.05178	2.3
67.05510	36.5
69.06725	1.3
69.07072	18.4
69.49683	1.0
70.47753	2.4
71.04998	19.0
79.05064	1.7
79.05496	18.8
81.07063	34.9
83.08621	10.6
85.06548	10.5
89.45367	1.1
91.05492	9.3
93.07050	24.2
95.04950	1.5
95.08612	100.0
97.06556	8.1
99.08112	6.9
105.07033	5.9
107.08600	12.8
109.10158	14.7
111.08089	3.3
113.09647	44.0
119.08617	6.2
121.06530	1.1
121.10155	16.8
123.11702	4.5
125.09659	1.2
133.10130	4.9
135.11717	17.3
135.42464	1.1
137.09677	1.3
137.13275	2.1
139.11148	2.8
147.11682	2.9
149.13295	5.5
153.12750	2.2
157.12268	1.9
161.13223	6.1
163.14851	6.8
175.14844	6.2
177.16367	3.2
189.16386	1.5
219.01505	1.2
245.22655	3.9
257.08029	2.0
263.23724	14.8
281.24796	21.4
299.25809	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.0975
Annotation	6'-Hydroxy-3'-ketostauranthine
Peak:m/z	Relative Intensity
53.03947	1.8
53.86684	0.6
55.01870	0.7
57.03432	0.8
61.02916	0.7
61.12654	0.7
64.01479	0.5
65.03904	0.5
68.05024	1.1
69.03437	4.6
71.05008	0.6
71.57053	1.0
72.08157	1.0
73.02922	0.6
79.05488	1.3
81.03423	1.7
81.07050	1.3
82.12943	0.5
83.04971	0.7
83.08616	0.6
84.04493	0.6
85.02911	16.1
86.09708	1.1
87.04465	1.5
87.57665	0.5
88.02343	0.5
91.03931	1.1
91.05484	2.6
91.53925	0.5
93.03405	0.5
93.07039	2.0
94.07374	0.5
95.04974	9.9
96.04501	1.3
97.02879	4.9
98.97591	0.9
103.05447	1.1
105.04513	0.9
106.02927	1.2
107.04961	100.0
107.08578	1.5
108.05280	0.5
109.02891	2.3
109.06516	0.7
110.06045	0.6
111.03197	1.0
111.04431	2.7
118.51536	0.5
119.04955	10.0
120.04496	0.6
121.06515	15.4
123.04440	19.1
125.02343	1.3
126.05516	4.6
127.03921	3.2
128.12802	0.5
135.11757	0.7
136.03960	1.3
137.03465	0.5
137.06003	0.7
138.05484	3.7
139.03914	11.3
140.07056	1.0
145.04951	6.6
147.04427	7.3
150.05515	1.4
151.02670	4.2
152.03459	0.7
153.05379	0.6
154.05005	13.0
158.99725	0.8
160.03857	0.8
163.06017	1.2
165.04169	0.9
165.05486	6.9
166.05011	67.6
168.06586	1.2
177.00557	0.6
187.07481	2.5
194.04492	2.4
201.09074	0.5
203.07634	0.5
205.08707	1.8
212.05550	43.1
219.01898	0.7
229.08496	1.0
232.06030	1.9
245.08110	0.7
247.09610	1.3
254.08307	0.8
265.10724	1.0
272.09192	4.1
289.17664	0.6
296.25153	0.6
318.09747	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01872	1.9
57.03432	5.6
61.02929	9.1
69.03432	16.9
70.19105	1.2
70.48712	3.1
71.04974	1.7
71.30665	1.3
73.02923	3.7
81.03429	8.3
85.02908	100.0
87.04459	2.7
91.03961	6.0
91.05487	2.1
93.07037	3.3
93.21801	1.2
97.02894	20.6
99.04422	3.6
103.05464	2.3
109.02897	8.6
121.06512	90.0
127.03924	21.4
131.08569	1.8
141.06990	1.7
145.04970	43.8
145.06184	2.0
159.08081	3.4
163.06039	12.1
175.07550	2.4
179.07083	2.5
180.08675	4.1
183.08142	1.5
187.07571	17.8
201.09146	1.8
205.08621	14.7
217.08591	1.7
229.08627	7.3
235.09679	2.9
247.09694	6.1
265.10672	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01876	0.6
55.05516	0.6
57.03439	1.5
59.10904	0.3
60.04540	1.4
60.18819	0.3
61.02919	1.6
67.05489	0.6
68.05032	0.5
69.03434	4.5
69.07062	1.0
69.96581	0.3
70.06584	0.8
71.04993	0.7
71.58281	0.5
72.08148	1.0
73.02917	0.7
76.54865	0.3
79.05495	0.5
81.03429	1.6
81.07053	0.3
82.06578	0.9
83.04984	0.7
83.08592	0.4
84.04498	0.4
84.08150	0.7
85.02908	8.1
86.09713	4.0
86.10188	0.5
87.04470	0.8
87.05588	0.4
91.03945	0.5
91.05471	1.0
92.24347	0.3
93.07055	1.5
94.06505	0.3
95.04964	0.3
95.08605	1.6
96.04492	2.1
96.08147	1.7
97.02908	2.9
97.05277	1.9
97.06518	1.2
98.09726	0.3
98.97603	0.6
99.04460	0.6
100.07628	0.9
103.05488	0.4
105.07047	0.4
108.08141	0.3
109.02865	0.9
109.06502	0.6
110.06049	5.1
110.09127	0.3
110.09708	3.5
110.97573	0.3
111.08096	0.6
114.05513	0.3
116.98643	0.4
120.08104	0.9
121.05650	0.6
121.06513	9.1
121.07374	0.6
122.06802	0.4
122.99127	0.3
123.06879	0.3
125.08398	0.6
126.09155	9.1
127.03912	1.9
128.98528	0.3
132.58267	0.3
133.06444	0.3
136.07506	0.3
137.05986	1.1
138.06386	0.7
138.09151	21.4
139.07523	1.8
140.10675	0.3
145.04994	1.3
146.16325	0.3
152.10675	0.4
156.10210	100.0
157.10564	0.6
159.11314	0.4
161.05984	0.5
161.84151	0.3
165.05486	1.2
168.10205	1.1
173.12885	2.5
173.37167	0.3
180.10196	0.7
198.11296	0.8
201.12328	1.5
205.11844	0.4
213.33133	0.3
218.95642	0.4
222.11279	0.4
258.09906	0.4
318.15570	3.2
320.16522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3003
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
57.07076	6.2
58.06572	1.2
60.04524	0.3
68.05015	0.3
69.86813	0.5
69.87206	0.6
70.06590	12.7
71.08636	2.3
71.84125	0.3
72.08122	0.6
74.06073	0.4
85.10158	0.6
88.07629	19.4
98.21427	0.4
102.09177	11.4
132.10181	1.0
146.11723	0.6
150.11263	0.7
167.51984	0.3
212.23633	0.8
256.26346	39.7
257.26657	0.4
300.28952	2.7
318.30017	100.0
319.30356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01873	4.3
56.96567	19.3
57.03442	8.3
60.11930	1.5
61.02936	14.4
64.76025	1.8
66.38351	1.5
69.03080	2.2
69.03439	28.9
69.63207	2.2
69.63609	9.1
70.06580	2.5
71.04990	5.7
72.08170	3.5
73.02926	13.7
77.00880	1.4
80.33971	1.5
81.03421	9.4
82.99865	2.5
83.05003	2.0
84.08152	6.5
84.67121	1.7
85.02911	44.1
86.03259	3.2
86.09696	2.5
87.04490	6.9
87.97050	1.5
89.00845	2.7
91.03955	3.7
91.05482	5.2
95.04944	1.8
97.02895	25.6
98.97595	88.8
99.04453	3.4
101.00892	19.7
101.03471	1.9
102.01582	2.3
103.05447	3.0
105.02081	1.6
107.04974	3.9
109.02888	6.9
109.64313	1.7
110.97596	6.5
111.02090	1.9
111.02979	1.5
112.99141	4.0
113.00874	2.9
115.02455	7.2
116.98628	23.1
119.01926	27.1
119.04939	3.7
120.02572	5.1
120.58035	1.5
121.01704	3.7
121.06525	8.2
123.04533	1.6
124.99145	4.5
127.02451	3.0
127.03934	13.3
128.98616	6.7
129.03087	5.3
129.03984	2.4
129.05579	2.4
129.10263	1.8
131.00191	12.1
131.01901	5.4
131.04941	5.4
133.03487	17.5
134.99652	3.7
136.93152	6.9
137.02921	2.2
137.06015	15.6
138.05513	4.4
139.05875	4.9
143.00175	10.7
143.01923	9.3
145.01678	1.8
145.03525	7.5
145.04961	5.3
146.99680	2.2
147.01369	2.5
147.03149	4.5
147.04430	7.6
149.01207	13.8
149.06158	2.0
154.03810	2.4
154.94191	13.9
155.01947	5.5
156.03636	10.3
156.06564	3.0
156.99847	3.3
157.03551	14.0
157.04691	2.8
158.99706	13.7
159.05090	2.5
161.01225	12.2
161.03032	9.6
161.04514	2.6
163.03975	3.9
165.04112	2.2
167.02170	2.3
167.07097	5.4
168.42728	1.9
169.02628	7.1
170.05234	1.9
170.99783	2.7
171.01459	5.2
171.05194	2.4
172.95277	10.5
173.01299	5.7
173.03023	7.4
174.74396	1.5
175.00943	14.7
175.02510	3.2
175.04594	6.5
177.00798	7.5
177.02280	1.6
177.04172	2.7
177.05579	1.8
178.03090	3.1
179.00763	2.6
179.02316	12.1
179.07095	3.9
183.05110	2.9
184.05847	2.0
185.01268	2.6
185.02972	5.2
187.04607	4.6
189.02528	8.2
190.96400	2.8
191.02348	3.4
191.04013	4.0
193.01964	2.5
194.07202	2.0
195.05122	2.5
197.03281	5.0
199.00917	4.1
199.03888	2.1
201.05264	2.7
202.06062	4.6
203.02336	3.1
203.04079	8.0
205.05583	3.4
206.04237	2.3
208.04640	2.1
211.04500	4.2
214.96210	3.4
217.01970	31.1
217.03621	1.3
217.05528	2.8
219.01811	4.6
219.05190	3.3
220.04231	4.2
220.20088	1.7
221.03290	5.8
221.05138	9.7
223.06691	5.4
225.54813	1.6
227.06743	2.4
227.57043	5.3
228.05737	40.4
228.08098	2.1
228.55855	4.7
228.97664	2.6
229.04544	3.7
229.06671	8.4
231.03644	2.8
232.96523	3.2
235.02969	11.4
237.02866	6.1
237.06335	9.1
239.04314	15.0
245.05127	8.2
251.06877	2.2
257.05215	3.9
259.03018	9.3
259.06686	23.6
263.06207	2.9
267.07452	1.9
275.06110	5.3
277.04138	12.5
277.07813	4.9
293.05475	2.6
296.09088	2.5
319.01062	100.0
319.08115	15.6
319.09796	14.5
319.13254	31.8
332.07330	2.6
337.02164	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	319.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.6
57.03436	1.6
61.02929	8.4
69.03435	4.4
70.61790	2.3
70.62151	1.8
73.02916	2.4
73.38490	1.0
83.05003	1.3
84.04548	1.2
84.08176	1.7
85.02924	5.8
87.04478	1.6
89.00696	1.2
91.03985	1.0
97.02917	4.3
98.01318	2.0
98.97585	18.7
101.00923	3.5
105.07056	2.3
107.01835	1.4
110.97633	1.2
111.02114	2.5
111.04465	1.2
112.99152	1.1
116.98624	5.3
119.01909	7.6
119.69300	1.2
120.01896	1.2
120.02602	6.9
121.06528	2.3
124.99154	1.5
127.04032	1.9
129.03101	14.4
131.00269	2.2
131.01854	1.7
131.56082	1.0
133.03508	1.7
134.99695	1.1
136.93161	1.6
137.03073	1.4
137.06010	2.2
138.03619	1.5
143.00195	2.7
143.01973	2.2
145.03496	1.8
147.03148	3.7
149.01201	6.3
151.07646	1.5
154.94215	1.9
156.03624	5.9
157.03508	4.0
157.04707	1.7
158.99698	3.1
161.01288	3.1
161.02917	1.6
161.24158	1.0
172.95264	1.9
173.01286	1.4
175.04634	1.3
177.00833	2.2
179.02342	2.9
179.06998	1.3
184.03195	3.3
187.04622	1.3
190.96330	1.6
191.02354	2.0
193.03586	1.3
197.03348	1.7
206.05487	1.4
207.03432	2.7
207.05194	1.6
214.04164	18.1
214.05986	1.6
214.54366	1.4
221.03259	1.8
221.05284	1.2
222.07787	1.1
223.04723	2.4
223.06757	6.5
228.05724	15.3
228.55872	1.2
237.06357	2.5
239.04399	6.0
259.06711	1.8
291.05844	1.8
301.09070	4.6
307.03726	1.5
319.01239	21.8
319.10147	100.0
320.10712	1.3
336.09341	1.1
337.02222	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	319.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63451	0.8
52.97581	0.8
53.03944	1.7
55.01878	2.1
55.05504	1.1
56.96566	9.5
57.03445	4.5
57.60823	0.9
61.02919	4.4
67.05514	0.9
69.03443	10.1
70.06583	2.0
71.04993	2.3
71.57702	1.4
72.08162	6.4
72.93793	1.4
73.02929	6.5
73.08505	2.4
76.96710	0.8
77.83736	1.1
78.67455	1.0
79.05506	1.6
81.03421	4.6
83.04993	2.5
84.04501	1.7
84.08169	1.3
84.96043	1.4
85.02912	19.5
85.06559	1.1
86.03258	1.4
86.09708	2.2
87.04506	2.1
87.10052	1.1
91.03964	1.1
93.07082	1.3
95.05042	0.9
97.02899	13.6
98.97591	43.1
99.04491	1.3
103.05490	1.0
105.08547	0.9
107.05024	2.2
109.02914	4.1
110.01320	0.8
110.97618	2.5
111.02074	1.3
111.04504	1.5
111.38046	0.8
112.99129	1.2
115.03945	1.9
116.98640	12.9
116.99426	1.0
119.00130	0.9
119.01902	1.9
121.06535	2.8
122.06924	0.8
123.04499	1.7
124.99194	1.3
125.02411	3.1
127.03937	5.1
128.96422	1.2
128.98636	3.3
130.06618	1.1
130.08687	1.6
131.00177	4.5
131.04970	1.3
132.95844	5.1
134.99738	2.7
136.93089	1.9
137.02452	1.3
137.05962	7.0
139.03886	2.5
141.05530	2.0
143.00186	5.4
144.95909	2.7
145.05020	2.8
146.99643	1.7
147.03200	2.9
147.04515	1.4
149.01248	4.8
149.06006	1.5
150.96924	1.4
154.94232	5.6
156.03674	3.4
157.03488	1.9
157.04805	15.7
157.07622	23.7
158.97537	2.6
158.99657	7.9
161.01309	5.5
161.02983	1.7
163.03947	2.4
167.02295	1.0
167.07144	2.7
170.99738	2.2
172.95248	4.8
173.01163	1.0
174.96909	12.4
176.98557	1.3
177.00706	5.4
177.04292	1.9
177.05669	1.7
179.02245	4.3
179.07043	1.5
181.08733	1.1
185.01250	1.5
185.04257	1.7
186.04575	1.0
186.97043	2.7
189.00816	1.2
190.96179	1.3
192.04852	1.1
192.54860	1.3
197.03456	2.7
199.00705	2.5
201.00757	2.4
203.02362	1.3
203.05412	3.0
210.96977	1.0
211.00703	1.3
216.15999	2.5
216.98143	1.7
217.00266	1.6
219.01770	5.0
221.05241	1.4
223.05367	5.2
227.06935	2.3
227.57097	4.2
228.05618	12.7
228.56076	1.3
232.06012	1.2
234.99080	7.0
237.02843	5.4
237.06447	1.8
238.07069	1.3
239.04422	7.1
259.01276	1.2
273.09604	16.1
301.03711	1.0
318.60797	1.5
319.01086	34.0
319.04089	2.4
319.10165	100.0
319.13779	38.5
335.06790	1.0
337.01910	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	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
56.51059	0.4
62.31445	0.3
65.03951	3.1
68.53224	0.3
69.07063	1.0
69.53383	2.2
74.03883	0.3
76.18629	0.3
79.05487	0.8
80.05015	1.1
86.56666	0.3
91.05493	3.5
92.05019	4.9
93.03391	0.3
93.07051	0.7
94.06532	0.3
95.08566	0.3
96.08134	1.2
98.97585	0.8
106.06565	0.8
108.04491	1.9
109.06532	0.3
110.06054	1.5
110.09684	1.0
115.05469	0.5
116.78490	0.3
118.06551	0.8
119.04961	1.6
120.04475	1.4
121.07553	0.4
124.07582	2.5
125.08384	0.6
129.07037	0.5
130.06502	0.6
131.08621	0.5
132.04497	0.5
136.03964	6.1
136.07646	0.4
137.05991	6.1
138.05481	0.4
138.06380	0.6
138.09154	19.5
142.06528	0.4
144.08084	0.9
146.02361	0.4
149.06024	0.5
150.09206	0.5
151.03923	0.8
153.67857	0.3
154.05002	2.9
154.06279	0.4
155.07382	0.4
155.08574	1.4
156.08084	0.5
157.07576	0.3
157.08945	0.4
157.10146	1.0
158.09671	1.0
159.09187	0.5
164.03461	5.7
167.07315	1.7
167.08586	0.4
168.08092	0.6
169.08870	1.2
170.06020	0.5
170.09659	0.5
171.09167	0.7
171.71429	0.3
172.09976	0.7
174.12833	1.2
176.03438	2.1
177.05463	0.8
178.05025	0.7
181.05118	0.4
181.08897	0.6
181.44038	0.3
182.04514	15.7
182.05858	0.6
182.09735	1.2
183.09283	0.4
184.07654	0.5
184.11285	1.8
185.07130	0.5
186.11490	0.5
186.12917	0.7
186.71625	0.3
187.12253	0.6
196.09940	1.0
197.06934	0.7
197.08528	0.5
198.07887	1.4
199.08601	2.2
199.12370	1.0
200.09341	1.8
201.10210	0.6
201.13887	7.5
202.08568	0.4
202.12321	0.7
209.10791	0.7
210.09238	1.7
211.08598	0.7
211.12321	1.3
212.09354	1.7
212.10776	2.0
213.06509	0.4
214.12447	1.9
224.09518	0.5
225.10205	0.3
226.07393	0.7
227.08128	1.3
227.11818	2.7
228.08818	2.6
229.09650	1.2
229.13377	40.7
230.11819	1.0
230.13846	0.5
237.10236	0.7
238.08714	2.1
239.08202	0.6
239.11821	1.5
240.08922	1.2
240.10661	0.4
241.09648	0.5
242.10606	0.6
255.07556	0.8
255.11314	9.4
257.12866	24.1
258.11301	1.5
259.10703	0.4
265.09735	0.4
266.08273	0.5
268.08386	0.7
272.08060	1.6
273.09158	0.4
273.12369	8.4
283.10797	10.1
284.09192	13.6
290.09006	0.8
291.13406	1.8
297.02908	0.5
301.11856	21.8
315.03943	0.8
319.12906	100.0
320.13263	1.1
339.03772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45591	0.8
56.96562	1.7
69.03426	3.2
69.81288	3.8
70.06575	1.6
71.05000	1.5
72.08160	1.0
72.64989	0.9
79.37326	0.8
81.03425	1.9
81.07056	1.3
83.04975	3.0
83.71207	0.8
85.02897	4.8
85.04818	1.0
91.05491	1.5
93.07052	1.2
97.02908	2.3
98.97596	4.0
105.07008	2.2
111.04444	2.0
116.98632	0.8
119.04922	0.9
121.02864	1.2
121.06502	2.1
123.04456	0.9
127.03912	1.5
131.04922	2.9
136.07600	1.1
137.05966	3.5
139.03957	1.1
145.04926	1.2
147.04329	1.1
157.08449	2.3
161.06024	1.3
163.03932	1.3
167.07011	1.3
169.06519	1.1
177.05475	1.4
181.08351	0.8
237.02843	1.0
251.06760	1.2
255.11446	1.0
287.05713	1.3
301.11499	1.0
303.28082	0.9
319.13663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
52.48743	2.1
53.03952	2.5
55.05513	19.1
55.21564	1.8
56.96562	8.3
57.07071	5.5
61.33865	2.1
64.02930	2.0
67.05510	14.0
68.04173	1.9
69.03426	4.8
69.07072	23.6
69.36463	18.4
71.04990	5.7
79.05503	12.1
81.07061	21.2
83.05003	2.4
83.08618	8.5
85.02908	8.2
85.06555	2.2
85.19678	1.9
86.59476	1.8
87.04456	2.9
88.22437	2.2
91.05484	25.2
93.07041	25.1
95.04968	7.7
95.08608	37.2
97.06544	5.1
97.10172	5.3
97.99189	3.4
98.21484	3.4
105.06387	3.6
105.07040	48.0
105.14970	2.1
107.08599	34.8
109.06530	5.4
109.10161	27.2
111.08157	2.1
115.03933	6.8
117.07018	6.9
119.08591	100.0
121.06512	11.2
121.10166	24.0
121.62814	2.2
123.08065	6.8
123.11711	7.9
125.09702	2.3
128.06235	3.6
129.07021	6.2
131.08588	17.0
133.06451	3.3
133.10135	42.5
135.08066	13.8
135.11705	12.7
137.09630	3.5
137.13235	4.8
142.07762	3.0
143.08594	8.8
145.10141	21.4
147.08076	17.3
147.11707	32.6
149.09583	10.5
149.13293	5.8
151.11200	2.6
155.08498	2.6
157.10178	13.4
159.08089	4.1
159.11708	13.7
161.09596	13.0
161.13268	10.1
163.11224	10.4
163.14877	2.7
165.09135	6.1
169.10133	4.0
171.11668	8.6
173.09631	7.7
173.13306	9.0
175.11223	19.8
175.14821	5.1
179.10681	6.2
183.11598	2.5
185.13290	7.4
186.37296	2.2
187.11183	8.1
187.14793	13.7
189.12785	6.6
189.16405	48.5
191.10678	8.7
191.17888	2.3
193.12358	2.4
197.13419	2.5
199.11185	3.1
199.14835	6.6
199.75743	2.1
201.12706	2.5
201.16318	2.4
203.14261	2.5
203.17998	10.0
205.12271	3.6
213.16431	5.5
215.17986	5.4
217.12329	3.6
217.15704	2.7
223.13318	8.4
227.14410	4.0
229.19534	3.8
231.17439	31.6
235.13327	23.4
241.19447	9.6
245.15305	4.2
255.21019	2.6
257.19040	6.8
259.20633	24.8
273.22064	5.0
277.64032	2.8
283.20557	6.4
285.21283	2.0
286.68411	2.2
289.21625	7.0
295.68796	2.9
301.21582	20.0
319.22610	37.5
319.30438	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
51.00677	3.4
53.03931	6.2
55.05522	22.2
56.96572	27.2
57.07071	9.4
67.05503	27.9
69.03436	3.6
69.07072	57.8
70.16058	4.2
70.16332	15.6
71.04963	3.5
79.05494	23.1
81.07061	70.9
83.04984	4.6
83.08617	14.2
85.26402	3.1
91.05475	30.1
93.07039	44.2
95.04974	17.4
95.08608	75.4
97.06530	7.2
97.10167	14.9
97.99186	3.8
98.21418	4.4
105.06412	2.3
105.07031	67.1
107.04970	23.6
107.08595	37.7
109.06519	18.7
109.10154	47.1
111.08067	6.3
115.05430	5.8
116.00212	5.2
117.07018	14.5
119.08580	48.3
121.06541	18.5
121.10148	31.5
123.08072	8.4
123.11729	41.6
125.05955	7.1
125.13203	5.1
129.07022	11.0
131.08569	36.3
133.06461	7.9
133.10150	31.4
135.08073	19.6
135.11710	21.0
137.09607	5.8
137.13249	14.6
139.07532	8.6
141.06955	4.7
142.07790	5.9
143.08609	18.4
145.06499	14.0
145.10147	31.9
147.08034	7.7
147.11681	22.1
149.09645	11.4
149.13258	18.8
151.07600	4.0
151.11137	5.0
157.10121	20.4
159.08038	6.1
159.11703	25.3
161.09665	9.0
161.13240	17.2
162.92026	3.8
163.07571	6.4
163.11179	8.2
163.14833	13.9
165.09151	6.5
169.10210	5.7
171.11644	17.8
173.09630	5.1
173.13304	15.8
175.11266	4.4
175.14844	13.2
177.09122	6.4
177.12778	5.6
177.16373	7.1
181.10063	3.9
183.11699	6.6
185.13277	15.3
187.11206	7.2
187.14813	30.2
189.12782	9.5
189.16350	16.3
191.10693	5.9
195.11708	6.4
197.13054	3.8
199.14857	4.6
201.12747	6.3
201.16385	10.1
203.14290	4.3
205.15750	3.8
213.12660	6.6
213.16411	10.1
215.18010	6.3
219.13814	6.4
227.14362	5.3
227.17853	7.9
229.19458	8.2
231.13890	3.7
231.17429	48.9
233.15623	4.3
242.64113	3.4
243.21114	17.5
245.18987	10.2
249.14978	3.8
255.21198	12.4
257.16528	4.4
257.18982	6.2
257.26691	6.1
259.20615	16.5
261.22015	5.3
265.19537	6.5
266.16736	7.3
271.20538	5.4
273.22281	9.2
277.67801	5.4
280.68585	3.4
283.20627	15.7
286.68576	10.9
287.67209	4.1
295.69046	12.7
298.19324	6.5
301.21588	47.5
319.22665	100.0
319.30499	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	320.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47368	0.6
53.03943	2.0
55.01627	0.8
55.01876	12.3
55.05509	3.9
57.03432	1.9
58.99570	1.1
66.47181	0.6
67.05513	4.9
69.03426	1.5
69.07069	2.3
70.02952	0.7
70.06582	2.0
71.05006	1.4
71.56119	0.9
73.02923	11.5
74.02445	0.7
76.02223	2.9
77.03931	0.7
79.05502	4.5
80.97343	0.7
81.03426	23.2
81.07056	2.6
83.01320	1.5
83.04977	1.2
83.08636	3.2
83.37114	0.6
83.44639	0.6
84.08952	1.1
84.96074	0.8
85.02907	3.2
86.09697	1.4
86.99065	1.5
88.03986	1.8
88.95340	0.7
91.05485	9.9
93.07047	10.6
95.04990	4.4
95.08602	2.4
97.02875	2.2
98.97598	1.1
99.04453	6.9
101.02390	36.1
103.05473	1.8
105.00087	1.4
105.07036	1.4
107.04965	1.0
107.08584	3.9
109.02897	0.8
109.06541	1.0
109.10152	2.7
111.04444	4.7
111.08100	1.8
115.05480	0.9
117.07011	2.6
119.04957	0.7
119.08598	4.6
120.02511	0.7
121.06518	13.2
122.02747	11.8
122.06839	2.0
125.02347	2.6
125.09610	3.2
127.03916	2.1
128.04222	0.8
128.61594	0.7
129.01857	9.8
130.06525	1.0
133.10156	0.8
134.04501	2.0
135.07104	0.8
135.08070	9.7
137.09628	24.0
139.03880	1.8
144.08064	0.8
146.06027	1.2
146.08119	0.7
147.04396	2.6
151.11157	1.6
153.09129	4.8
153.11559	0.9
155.10649	1.5
157.08649	0.8
158.06039	0.8
163.07550	2.9
169.12268	0.6
169.72490	0.6
175.09702	2.2
176.10011	1.8
181.08591	6.6
188.07043	2.9
199.09674	100.0
200.09981	1.0
202.51332	0.7
206.81691	0.6
240.01773	0.6
255.85243	0.6
256.10150	0.6
260.08929	0.7
302.10602	1.5
320.11615	9.6
321.09531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01878	1.6
56.96545	1.3
57.03428	3.2
60.04541	1.3
61.02940	4.8
67.57683	1.1
69.03436	9.6
69.07071	6.3
70.06592	2.1
70.39957	0.9
71.05018	1.3
71.08063	1.9
72.08137	1.1
73.02930	1.3
75.82382	0.9
81.03420	9.7
84.08145	1.5
85.02908	42.9
86.03260	1.1
86.09711	3.1
86.40263	0.9
87.04463	2.5
91.03962	2.2
94.70245	0.9
97.02902	11.1
98.97604	2.5
99.04442	2.7
103.03885	0.9
109.02884	93.2
110.97581	1.7
112.07629	2.1
121.06516	1.0
123.04420	3.4
127.03927	8.8
129.10260	1.0
140.07092	3.5
141.05470	100.0
145.04967	13.1
156.71309	1.0
158.08080	6.0
163.06059	1.3
173.12883	2.3
177.05560	2.4
180.08696	2.9
267.08911	1.2
320.13666	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01144	10.8
64.53694	8.9
70.06313	8.2
70.06600	100.0
71.58485	8.8
72.08149	13.0
73.39302	10.3
80.51681	9.2
85.06535	11.1
91.05467	30.5
106.07382	13.7
112.07597	68.4
119.04933	27.7
137.05984	38.9
140.04350	14.1
140.05403	10.1
140.07069	31.4
145.02876	28.4
147.04407	54.9
158.08113	17.0
177.05469	54.1
180.07349	10.0
202.08437	9.4
302.11981	14.3
320.08487	20.1
320.19431	10.8
321.19302	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	321.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34951	30.8
70.56557	100.0
71.19179	31.2
74.56170	30.2
84.88528	30.7
111.05552	71.0
114.89308	43.4
116.89128	58.5
124.20633	31.2
138.93869	59.1
139.93048	29.2
141.06604	93.1
159.07678	74.3
183.51678	33.1
189.02487	52.0
207.76222	31.7
260.99823	31.7
320.90320	40.1
321.05844	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	321.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47234	43.1
69.47649	71.0
86.11539	14.4
94.57760	14.9
101.00890	71.7
111.05580	15.3
119.01925	53.0
141.06610	27.9
141.91319	16.2
143.01889	36.7
145.03487	49.8
159.07692	53.9
159.69743	15.9
161.02950	43.8
171.01378	31.5
179.27965	15.3
189.02441	86.2
201.02457	29.3
233.05177	42.0
261.04507	38.4
321.05981	100.0
340.10300	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0971
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.03930	2.3
55.01855	1.6
60.57410	1.2
65.03944	13.4
67.05484	5.5
69.03403	2.8
77.03908	1.3
79.05505	1.7
81.03432	8.2
81.07021	1.6
83.07989	1.2
90.78742	1.3
91.05482	6.7
93.03414	12.0
95.01293	1.5
95.04942	2.9
97.02902	23.3
103.05447	2.1
105.03322	1.3
109.02853	3.1
111.04404	2.6
115.05462	7.7
116.06208	2.6
117.03345	3.2
117.07053	1.1
119.04900	1.3
121.02857	4.3
121.06445	1.3
123.04398	4.2
125.02345	2.9
128.06200	4.7
129.06953	5.5
131.04874	4.5
131.08586	12.4
133.06458	1.6
139.03853	4.9
140.04688	6.6
141.07011	18.6
144.04697	1.7
144.05722	19.9
145.02878	9.7
145.06415	3.0
147.04395	3.3
149.02361	9.3
149.05994	1.9
153.05426	2.2
153.06944	2.8
154.06273	11.7
155.04872	4.4
155.05893	1.4
155.06995	4.1
157.06456	5.9
158.07281	3.0
159.08054	17.2
167.03415	17.8
168.05676	5.0
169.06470	15.9
169.07698	2.3
171.07935	1.7
172.05130	3.9
173.05960	1.9
175.03870	2.2
175.07501	1.5
177.05453	18.1
181.05003	12.1
183.04315	2.9
185.05875	4.1
186.06664	2.3
187.07556	34.7
191.06949	2.2
192.04260	1.8
196.05171	1.7
197.04370	1.5
197.05988	14.1
198.06644	1.5
199.03833	2.0
199.07524	1.7
200.04625	3.7
201.05435	2.7
203.06952	3.8
207.06493	5.8
213.05522	2.6
214.06189	3.5
215.06995	15.2
217.08443	3.2
218.09334	11.1
219.06587	10.4
219.10158	19.3
225.05356	2.6
229.04955	2.0
229.08595	24.6
231.06300	1.5
232.07286	1.6
233.07903	2.7
242.05675	2.1
243.06581	8.5
244.07205	2.1
245.08014	3.3
247.07513	1.7
247.09695	19.9
257.08081	21.7
261.09271	2.8
271.05981	2.8
275.09152	100.0
285.07608	2.2
289.07172	1.6
290.09149	2.1
300.00986	1.3
303.08643	16.3
306.08823	1.7
321.09619	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0971
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
55.01851	1.8
55.05481	1.4
65.03944	11.9
67.05494	6.1
69.03414	5.0
71.58707	1.5
75.77998	1.5
79.05503	2.4
81.03422	10.5
81.07028	2.4
83.04952	2.0
91.05466	9.9
93.03426	12.0
93.07000	3.4
95.01318	2.9
95.04937	4.4
95.08579	2.1
95.24802	1.5
97.02898	20.8
98.97566	1.3
103.05435	2.4
105.07003	2.3
107.04958	1.5
107.08608	1.5
109.02831	4.8
115.05409	5.6
116.06193	1.9
117.03321	5.2
117.06989	2.9
117.19517	1.2
119.04894	3.6
121.02812	4.2
121.06524	2.0
123.04386	4.2
125.02345	2.3
127.03885	1.5
128.06206	6.9
129.06934	6.0
131.04881	5.8
131.08586	14.3
137.05925	4.1
139.03810	4.4
140.04688	8.3
140.22426	1.2
141.07005	20.8
143.08493	2.8
144.04758	1.2
144.05713	17.2
145.02893	8.5
145.06410	4.5
147.04333	3.9
148.04703	2.7
149.02361	9.3
149.05959	2.0
152.06230	1.9
153.05452	2.7
153.06877	2.5
154.06273	12.7
155.04832	3.2
155.05873	1.9
155.07091	7.2
156.05650	2.1
157.06523	7.1
158.07214	3.8
159.06844	1.5
159.08060	18.2
161.05956	1.6
163.03735	1.5
167.03458	16.6
167.07072	2.1
168.05609	5.9
169.06462	19.5
169.07695	2.4
171.08026	2.5
172.05086	3.9
173.05919	3.6
175.03844	2.8
175.07492	3.6
177.05489	18.4
181.03670	1.2
181.04982	12.3
183.04381	3.3
184.05162	1.5
185.05931	2.4
186.06641	2.8
187.07555	35.3
188.08284	1.7
190.08063	1.3
191.06885	2.2
192.03940	2.2
193.08612	1.5
196.05101	2.3
197.05966	14.7
199.03793	1.5
199.07484	2.7
200.04605	3.1
203.06900	3.4
203.08504	4.2
204.07712	2.7
205.08504	1.5
207.06499	7.8
214.06110	4.9
215.07022	14.2
217.08502	4.7
218.07272	3.0
218.09277	10.7
219.06552	7.9
219.08426	1.5
219.10132	19.0
225.05553	2.8
229.04979	1.7
229.08620	29.5
231.07945	3.7
231.10033	1.5
232.07170	1.6
233.07811	1.6
233.09804	1.5
242.05670	1.7
243.06511	10.8
244.07054	2.2
245.07956	1.7
246.06543	1.5
247.09666	21.1
257.05762	1.4
257.08105	21.1
261.08899	5.7
263.06943	1.8
263.10587	2.8
271.05820	2.8
275.09161	100.0
285.07458	1.5
289.08331	7.3
290.09299	1.7
291.10034	2.8
293.11731	1.9
303.08640	18.5
306.08774	3.1
321.09619	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0972
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
55.05510	2.5
56.96562	6.4
57.07085	3.3
57.20132	1.8
57.84924	1.8
65.03947	12.5
66.97865	2.0
67.05493	6.8
69.07066	3.1
70.06589	3.0
71.39791	3.3
79.05470	3.0
81.07050	4.6
88.07603	5.7
88.94108	2.1
91.05472	8.4
93.03422	10.1
93.07021	3.6
95.01272	2.5
95.04958	4.2
95.08596	5.7
97.02896	20.7
98.97591	13.7
105.07014	4.2
107.08607	2.8
109.02913	2.6
109.10172	2.1
109.31745	1.9
110.97590	4.3
111.04427	3.5
115.05454	6.0
116.06219	1.8
116.98625	3.9
117.07008	3.2
119.04986	2.0
119.08583	3.5
121.02865	3.6
121.10075	2.4
123.04433	4.5
123.11745	2.3
128.06215	4.4
128.98625	4.7
129.06979	6.9
131.04933	4.1
131.08601	15.5
137.05942	2.3
139.03900	3.7
140.04674	8.4
141.07011	14.7
144.05733	16.7
145.06514	4.5
147.04391	4.0
149.02322	9.5
153.05486	3.5
153.07031	2.2
154.06252	11.6
155.04921	3.6
155.07063	5.2
156.05721	2.5
157.06470	7.3
158.99663	3.3
159.08041	16.5
167.03438	14.9
168.05638	4.7
169.06462	13.5
169.07658	4.3
171.08032	2.3
172.05115	2.2
175.07550	1.7
177.00761	3.1
177.05443	3.6
181.04948	12.9
181.06387	2.5
183.04408	2.8
185.05991	4.2
186.06924	2.1
187.07559	31.0
187.11417	2.2
194.99579	2.0
197.06050	9.1
199.03972	2.4
200.04678	2.2
201.00777	2.9
203.07124	2.7
207.06526	6.8
213.05370	2.0
214.06201	4.7
215.07034	13.4
217.08630	3.5
218.09433	10.0
219.01807	13.4
219.06581	11.0
219.10135	20.9
225.05490	4.1
226.23088	2.2
229.08635	23.3
230.05997	2.5
233.08038	4.2
235.16980	4.6
237.02827	16.7
243.06548	7.3
244.07242	2.6
247.09714	22.6
257.08145	20.4
258.26993	7.3
261.02936	4.3
271.05884	2.7
275.09146	100.0
279.03958	11.6
279.19476	3.4
285.07535	2.7
293.19467	2.1
303.08710	17.6
320.30652	22.8
321.09680	60.3
321.20523	7.9
321.30826	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	321.0971
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
50.97068	1.1
53.00289	1.1
53.03920	1.9
55.01871	2.1
55.05502	2.6
56.96552	2.6
65.03939	11.8
67.05508	10.0
69.03425	1.8
69.07056	2.4
70.30876	1.1
79.05472	3.5
81.03419	2.3
81.07061	8.4
83.04979	1.4
91.05489	7.7
93.03390	10.2
93.07011	3.4
95.01298	2.1
95.04931	5.0
95.08611	7.3
97.02315	1.3
97.02891	23.3
97.10127	1.8
98.20781	2.4
98.97581	3.0
103.05428	1.5
105.07011	3.2
107.04971	1.4
107.08559	3.9
109.02901	5.9
109.06461	1.5
109.10146	5.7
111.04423	2.8
115.05449	5.8
116.06208	2.3
117.07001	2.8
118.46462	1.2
119.04937	2.8
119.08532	2.5
121.02847	5.7
121.06463	2.4
121.10076	1.5
123.04380	5.0
128.06181	5.0
129.07001	6.9
131.04890	4.1
131.08566	11.9
133.06483	2.8
137.05888	2.3
139.03854	4.5
140.04688	7.6
140.06184	1.6
141.06985	17.7
144.05716	18.6
145.02829	2.2
145.06454	3.3
147.04411	6.2
147.11667	1.7
148.04747	5.7
149.02332	8.9
152.06233	1.9
153.05428	2.9
153.06926	1.6
153.09036	1.9
154.06267	11.7
155.04865	3.2
155.06985	4.5
155.08189	1.6
156.05621	1.8
157.06476	5.7
158.07185	3.0
159.06873	1.6
159.08054	17.4
167.03398	15.4
167.07025	1.7
168.05644	2.8
169.06453	13.7
169.07655	2.4
171.08006	1.6
172.05135	4.2
173.05893	2.9
175.07585	2.1
177.05508	7.5
181.05016	9.9
181.06462	2.3
183.04359	3.8
184.05096	2.1
185.06047	2.7
186.06761	2.8
187.07565	29.7
191.06961	2.9
196.05197	2.4
197.06006	9.8
198.06656	1.5
199.03894	1.8
199.07486	3.1
200.04619	2.3
201.05470	3.0
203.06953	4.2
204.07756	2.7
207.06525	7.7
213.05489	1.2
214.06210	4.0
215.07053	14.5
216.07773	1.4
217.08562	2.2
218.09361	9.0
219.01727	3.7
219.06598	11.1
219.10152	19.4
225.05475	2.0
229.08636	25.3
230.05742	2.0
233.08125	3.8
237.02823	2.6
243.06471	8.6
244.07191	1.9
247.07503	1.9
247.09702	21.4
257.08081	18.9
271.05762	2.4
275.09149	100.0
279.03787	2.7
285.07687	1.4
303.08676	13.6
321.09601	59.8
321.20129	1.4
321.24350	1.3
321.27765	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0971
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.16024	1.8
55.01845	1.7
55.05473	1.8
56.96547	2.5
65.03938	14.3
67.05472	6.5
69.03430	2.9
69.07026	2.1
71.58723	2.4
81.03423	11.4
81.07008	4.7
82.82978	1.3
83.04958	1.6
87.19879	1.2
91.05477	8.3
93.03423	8.5
93.07021	2.0
95.01324	2.7
95.04921	4.9
95.08550	2.3
97.02905	19.0
98.97556	3.3
103.05441	1.6
105.07003	2.5
107.04907	2.9
107.08543	2.0
109.02827	4.8
109.10136	2.3
111.21767	1.4
115.05386	5.5
116.06226	3.1
117.03336	3.6
117.07008	2.7
119.04875	6.4
121.02789	5.0
121.06476	1.8
123.04340	4.5
123.11660	1.5
125.02325	1.6
128.06172	4.8
129.07045	7.7
131.04866	5.5
131.08580	10.3
135.04391	1.6
136.54137	1.4
137.05949	2.3
139.03838	5.1
140.04657	7.4
141.07008	19.8
144.05702	20.9
145.02855	9.7
145.06416	4.4
147.04430	15.7
148.04651	5.3
149.02405	8.3
153.05429	2.4
153.07024	2.0
154.06247	12.0
155.04823	5.1
155.06949	5.7
157.06442	4.7
158.07195	2.8
159.06860	1.8
159.08070	22.3
161.05879	2.5
167.03413	17.9
168.05623	4.4
169.06383	14.6
169.07640	2.6
172.05183	3.1
173.05881	2.5
175.03818	3.2
175.07451	2.0
177.04076	1.9
177.05470	25.7
180.20491	1.4
181.04997	11.4
183.04347	2.6
184.05176	1.7
185.05919	4.4
186.06792	2.9
187.07565	31.9
191.06868	1.7
197.05992	12.5
199.07503	2.8
200.04648	3.9
201.05441	3.4
203.06989	3.4
204.07782	2.4
207.06415	6.1
214.06126	3.1
215.07011	14.3
217.08536	2.8
218.07497	1.5
218.09349	9.5
219.06587	9.3
219.10141	20.3
225.05426	2.2
229.06552	1.7
229.08583	26.8
230.05586	2.6
231.10072	1.8
232.07173	1.6
233.07974	2.3
235.07494	1.7
243.06415	6.4
244.07260	2.1
246.06554	2.8
246.08836	1.9
247.09709	19.2
257.08133	16.5
261.08978	5.0
271.05951	2.3
275.09158	100.0
276.66763	1.5
278.09222	3.2
289.08728	7.4
303.08655	19.6
303.23102	2.1
306.08798	2.7
321.09564	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27481	0.4
67.53950	0.4
69.50012	3.9
72.04536	0.7
77.41536	0.5
81.03431	1.5
84.95436	0.5
86.09710	100.0
91.05502	0.5
93.07059	0.7
97.02970	0.5
98.21526	0.9
103.05457	3.7
104.38948	0.6
107.04971	1.3
109.02882	0.6
117.03349	0.6
120.08111	98.9
128.10722	50.3
131.04948	2.2
134.70668	0.5
135.04408	0.9
141.06931	0.6
149.05983	2.1
154.88365	0.5
156.10208	16.3
159.04398	0.9
166.08644	63.2
177.05511	2.2
202.07753	0.6
203.08554	1.9
229.08563	0.6
231.08023	2.9
259.07574	1.3
260.97665	0.6
261.09119	0.8
275.09158	1.6
289.08560	2.3
291.10272	0.9
321.11499	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	321.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04549	1.2
66.19810	0.4
69.52342	1.1
69.52750	1.5
70.06586	0.6
72.08160	5.4
74.07220	0.4
81.03408	0.8
84.08131	1.1
85.06558	1.8
89.03917	1.9
89.10781	1.4
91.05481	0.7
96.56678	0.4
97.06570	0.4
97.07605	0.5
98.06050	1.0
98.20779	0.6
105.07015	0.4
107.04984	0.4
114.10301	3.8
115.08676	1.2
117.03378	10.1
118.68944	0.4
119.04964	0.4
121.10152	0.4
122.06097	0.5
127.12354	0.4
128.10901	0.7
128.11848	13.5
129.10246	4.8
129.34795	0.4
130.96727	0.3
131.04947	0.4
134.03661	0.5
135.04388	0.4
137.06017	0.6
145.02849	50.6
145.14441	1.0
146.03247	0.4
147.04402	0.8
149.05981	4.9
163.03938	0.6
170.90097	0.4
177.05473	100.0
186.05492	0.5
190.08635	1.3
232.12010	1.1
234.11264	3.0
247.14444	6.1
248.12834	6.7
248.47296	0.4
261.09338	0.4
265.15488	3.9
285.12500	0.8
290.15012	3.2
303.13593	0.6
303.17017	1.1
304.16574	5.6
321.19217	70.0
322.19601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03930	0.9
55.05507	2.5
57.07063	2.3
64.29561	0.8
67.05503	5.4
69.07076	7.5
71.04992	1.2
71.58636	1.2
71.59006	0.9
79.05479	2.4
81.07060	11.4
83.08620	3.5
91.05483	1.2
93.07042	7.8
95.08611	17.9
97.06506	1.2
97.10181	1.8
105.07045	1.9
107.08608	10.7
109.10155	12.6
119.08630	5.4
121.06517	1.4
121.10145	11.6
123.11729	4.1
128.14330	0.7
129.05444	1.6
131.08592	0.9
133.10135	3.8
135.11696	15.4
137.13264	3.8
145.10121	0.9
147.11699	2.0
149.13255	9.0
159.11726	1.2
188.56915	0.7
189.16344	1.6
191.17960	100.0
215.17949	1.5
280.19064	1.6
289.47519	0.7
303.23227	1.7
321.11072	1.1
321.24356	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	321.2427
Annotation	(S)-12-Hydroxygeranylgeranic acid
Peak:m/z	Relative Intensity
53.03940	2.9
55.05499	10.4
55.16539	2.2
56.72677	2.3
57.07068	3.5
58.51822	2.2
60.01836	2.1
61.25322	2.6
62.14545	2.3
65.03943	3.3
67.05170	3.2
67.05510	46.6
69.03437	4.3
69.07067	18.9
69.40599	20.2
71.04638	4.2
71.04995	45.6
79.05504	29.2
81.07067	78.2
83.04976	9.9
83.08623	6.9
85.06521	2.9
85.08211	2.3
91.05497	15.2
92.47814	2.6
93.07058	56.3
95.04976	48.8
95.08624	43.9
97.06540	4.5
98.20705	2.5
98.21247	8.5
99.08088	4.4
105.07048	39.5
107.08607	100.0
109.06538	4.7
109.10171	59.5
111.08071	3.8
117.07022	6.0
119.08587	44.8
121.06506	9.6
121.10166	29.9
123.08050	4.9
123.11676	13.0
125.09629	10.0
127.07594	3.3
127.11217	19.1
131.08585	9.6
133.10141	32.5
135.08066	6.1
135.11710	72.8
137.09615	8.6
143.08592	4.6
143.10703	10.1
145.10144	20.1
147.11699	22.7
149.13258	6.3
151.11243	4.1
153.12761	25.7
156.78189	2.6
157.10139	9.1
159.11752	13.2
161.09607	3.3
161.13239	14.5
163.11140	13.0
165.12790	4.4
169.10175	4.8
171.11703	9.2
173.13281	9.1
175.14867	33.0
177.12755	3.0
177.16411	4.6
179.14241	4.7
180.99976	2.8
187.14828	9.5
189.16409	19.4
193.06470	2.5
193.15895	36.6
197.13277	2.6
199.14864	25.7
201.16359	2.8
203.17917	9.1
211.14810	4.9
213.16388	5.8
215.17976	7.6
217.15907	9.7
225.16440	3.1
229.15849	2.8
233.18985	4.4
257.22672	6.7
267.21194	6.6
275.23584	2.9
285.22092	18.0
303.23209	87.5
321.14801	5.2
321.24170	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2427
Annotation	(S)-12-Hydroxygeranylgeranic acid
Peak:m/z	Relative Intensity
50.91860	1.8
52.83394	2.1
53.03938	4.6
55.05511	14.9
56.96563	3.1
57.07077	3.2
59.04979	2.7
65.03938	3.6
67.05511	48.9
69.03436	3.5
69.07073	14.7
69.09437	2.3
69.44185	12.5
69.44583	3.4
71.04999	30.0
73.02936	2.4
73.06558	3.5
77.03936	2.1
79.05503	27.9
81.07063	81.2
82.27198	2.1
83.04974	12.1
83.08633	8.0
85.06532	2.6
87.08079	3.2
91.05480	15.3
93.07052	59.6
95.04974	54.2
95.08613	44.3
95.09180	1.2
95.64371	2.0
97.06551	6.0
97.10182	3.9
98.97620	2.6
99.08099	3.7
105.07034	39.0
107.04977	2.7
107.07867	4.9
107.08601	100.0
109.06513	6.2
109.10162	64.8
111.08076	2.6
113.09661	3.3
117.07047	5.2
119.08589	52.1
121.06515	7.9
121.10143	36.2
123.08044	4.8
123.11724	15.4
125.05940	2.8
125.09676	9.9
127.07516	2.5
127.11204	13.9
131.08575	8.6
133.10129	33.1
134.25070	2.3
135.08041	5.5
135.11703	65.7
137.09628	6.0
137.13292	3.6
139.11172	2.2
142.07860	2.9
143.08588	5.5
143.10674	10.6
145.10133	18.8
147.08075	3.1
147.11705	20.6
149.09630	3.3
149.13252	5.1
151.11194	3.6
153.12746	27.3
157.10121	9.4
159.11699	13.8
161.09689	2.9
161.13258	13.5
163.11166	11.6
163.14839	3.9
165.09190	4.2
165.12827	4.2
169.10202	5.5
171.11703	6.7
173.13246	10.3
175.14832	44.3
175.16261	3.5
177.16385	5.7
185.13222	2.1
187.14841	8.0
189.16434	20.3
191.14281	3.3
193.15904	34.0
197.13222	4.6
199.14845	22.9
201.16396	2.8
203.17967	7.9
205.15825	3.1
207.17421	2.7
211.14772	4.4
213.16325	5.2
215.17993	6.4
217.15933	6.7
243.17574	2.6
248.16510	4.2
257.22629	2.6
267.21222	3.9
285.22058	18.4
289.18237	2.5
303.19821	2.8
303.23184	88.1
304.23743	2.3
321.20554	6.4
321.24173	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	321.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
53.67771	2.3
54.42383	2.7
55.01867	2.9
55.05516	19.5
56.96560	5.0
57.07076	22.5
57.29658	1.9
67.05507	15.0
69.07073	27.4
71.08633	13.0
71.58855	3.8
79.05501	16.3
80.94845	2.8
81.07059	33.8
83.08622	23.3
84.96044	28.9
85.10179	7.9
91.05483	26.9
93.06478	3.2
93.07054	58.7
95.04940	6.3
95.08608	34.6
97.06544	11.9
97.10162	14.7
98.72987	2.5
98.97569	2.6
102.97112	3.5
103.05464	9.8
105.07024	6.1
107.08593	40.1
109.10172	20.4
111.08092	2.6
111.11725	9.3
119.08624	2.4
121.05659	5.4
121.06516	100.0
121.10152	35.2
122.06840	8.9
123.11681	12.5
125.05963	3.3
131.08591	3.1
133.10146	3.8
135.08037	3.6
135.11714	14.6
137.13264	5.7
139.07552	41.2
149.09564	3.7
149.13284	9.4
151.14821	4.0
153.09123	14.4
159.11734	3.6
163.14810	8.1
167.10680	9.6
177.16351	4.8
181.12234	10.3
191.17940	6.7
195.13730	2.6
205.19595	5.3
209.15295	3.3
215.17906	2.6
223.16963	5.5
261.25836	7.4
262.98080	2.6
265.21725	2.7
275.27515	4.1
285.25500	2.6
300.14758	3.6
303.23639	2.9
303.26950	5.0
316.06174	2.3
317.17838	8.4
318.18243	2.9
321.11133	4.5
321.22174	2.8
321.28006	4.8
331.19495	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	321.9933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49362	0.2
56.31536	0.2
56.96571	2.3
60.66175	0.2
61.02926	0.5
65.44583	0.2
71.56510	0.3
71.95262	0.5
98.97592	9.8
99.97923	0.3
101.00894	0.8
102.00988	0.2
116.38315	0.2
116.98635	4.3
119.01918	1.7
120.02044	0.4
122.97810	0.2
123.98620	0.2
126.97073	0.2
134.99673	1.5
140.98849	0.7
142.03499	0.3
158.99876	1.7
168.75644	0.2
176.97408	0.3
177.00966	9.4
182.99826	2.3
196.90750	0.2
201.00940	9.2
202.00999	0.2
202.93492	0.2
214.92027	0.5
214.96660	1.1
216.98711	0.5
219.02020	100.0
220.02116	2.2
221.02386	0.5
225.94266	0.4
232.93054	0.3
234.94881	0.4
234.99788	0.6
235.44766	0.5
235.94629	0.2
236.99533	2.0
237.03009	0.2
238.92303	0.2
238.93102	0.3
238.95459	2.6
239.96048	0.3
242.03622	4.3
244.95091	0.2
254.93253	0.3
255.95442	0.2
256.93091	1.3
256.97128	9.2
257.97092	0.5
258.99805	0.4
262.95807	0.4
263.93530	0.3
265.45523	0.2
272.94376	0.7
273.94485	0.4
274.94232	2.3
274.97708	1.2
276.95126	0.2
277.00748	0.3
278.01080	0.2
279.98206	1.4
280.96613	2.5
286.92661	0.4
292.95142	0.8
295.59238	0.2
295.92935	0.7
296.42938	0.3
298.97733	42.3
299.19012	0.2
299.97968	0.8
303.97894	0.3
305.42889	0.2
307.93015	0.3
316.95499	1.5
316.98941	0.4
317.43372	0.2
318.94879	0.2
319.43939	0.4
319.93777	0.3
321.99332	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	322.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01873	4.6
56.05047	2.6
56.96567	23.5
57.03438	31.8
57.07069	8.4
57.72585	2.3
60.04519	3.2
60.05649	3.8
60.78794	2.5
61.02935	17.4
67.05517	13.9
69.03432	26.0
69.67876	9.6
69.68284	6.0
70.06596	14.7
71.04994	5.7
72.08160	55.9
73.02925	76.3
79.05492	2.7
79.32485	2.8
81.03405	10.1
83.04989	5.1
84.04526	4.4
84.08130	6.7
84.96034	10.4
85.02909	44.9
85.06534	7.7
87.04475	5.2
89.03920	6.5
91.05478	3.9
93.07059	2.9
95.04989	2.8
97.02888	20.4
98.97591	95.4
99.04472	3.4
100.07626	5.9
101.02443	3.0
107.04970	2.9
109.02837	8.2
110.97585	22.2
112.07635	5.2
112.11254	7.8
112.99142	6.0
115.03937	6.6
116.98623	30.3
117.03381	18.1
119.06280	2.8
120.08148	3.5
123.04490	2.5
123.05561	7.3
124.99114	4.8
127.03925	7.5
128.98608	23.6
130.08641	4.7
131.00192	5.6
131.01804	4.0
131.04910	2.9
134.99675	5.1
135.04414	7.5
137.05965	3.8
140.02354	3.1
140.98679	3.0
141.05507	3.2
142.08626	3.2
143.00188	9.0
144.88084	2.5
144.98106	3.2
145.01784	3.6
145.02850	62.9
145.04890	4.7
146.02324	3.1
146.16521	6.3
146.99661	5.5
147.04343	3.3
149.05978	4.8
150.05861	2.7
152.04144	4.1
152.98593	5.3
155.03078	2.6
158.99660	38.5
160.09694	10.0
161.01242	4.8
161.03059	3.2
161.04626	12.8
163.03946	32.0
170.05257	3.1
170.99670	11.6
173.87341	2.4
175.11945	5.3
176.03317	3.2
177.00740	24.8
177.05493	100.0
179.02272	3.4
180.07524	3.2
182.03386	4.1
189.00688	9.8
190.04976	5.6
192.04681	2.9
199.05473	19.1
199.99968	2.6
201.00696	6.2
201.04213	4.0
205.05499	4.9
208.06061	5.2
210.56174	2.7
212.06313	4.2
214.05986	18.9
219.01775	46.2
233.06784	10.2
234.11256	54.1
237.02824	42.5
239.04489	4.0
247.04919	10.4
250.07173	3.6
251.13905	7.9
256.09082	16.3
256.58981	3.4
257.07822	4.0
261.02829	2.9
265.05948	59.5
266.06342	3.3
271.07608	16.9
271.57645	3.8
280.08139	11.9
283.06967	12.4
289.05975	4.0
303.07477	14.9
305.15814	3.2
305.18729	30.1
307.07043	10.5
321.08530	13.5
322.11288	20.9
322.15524	3.8
322.18134	5.1
322.21536	38.2
323.12155	3.7
341.05798	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	322.2742
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03961	0.6
54.82832	0.6
55.05520	4.6
56.96558	0.8
57.07090	0.8
57.98621	0.6
60.04530	0.9
62.06094	100.0
67.05509	15.2
69.07068	4.2
69.84164	3.3
79.05502	8.4
81.07062	16.3
83.08636	1.9
84.17624	0.6
85.06591	0.6
91.05491	5.5
93.07052	11.8
95.08611	12.6
97.10161	0.8
98.97598	0.8
105.07011	3.1
107.08588	6.7
109.10168	4.7
117.07042	1.2
119.08617	2.2
121.10147	4.4
123.11760	2.8
128.40628	0.6
131.08585	2.6
133.10156	1.7
135.11732	4.6
137.13306	1.2
138.30743	0.5
145.10141	1.7
147.11734	1.5
149.13303	2.5
159.11723	1.0
161.13284	1.1
163.14873	1.3
173.13347	1.7
177.16399	1.2
186.14903	1.0
187.14825	0.7
200.16562	0.8
243.21037	3.1
261.22226	4.8
287.97287	0.7
304.26508	2.8
305.24860	1.7
322.27515	12.7
322.31021	1.2
335.17160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.1
55.05513	3.7
56.96572	1.4
57.07069	2.1
60.04535	2.0
60.23355	0.7
62.06095	100.0
66.36334	0.8
67.05173	1.3
67.05511	18.2
67.57469	0.8
69.07060	5.0
70.76180	2.6
79.05501	12.2
81.07062	17.8
83.05014	0.9
83.08625	2.1
85.06558	1.2
87.19565	0.8
91.05499	6.2
93.07056	16.1
95.04998	1.2
95.08617	16.5
98.97589	1.9
103.05495	0.9
105.07027	3.4
107.08604	8.6
109.10178	6.1
117.07021	1.9
119.08612	2.7
121.06504	2.4
121.10148	6.6
123.08041	0.9
123.11716	1.9
129.52844	1.0
130.06520	1.1
130.08685	0.9
131.08577	3.6
133.10139	3.1
135.11716	4.1
137.13321	1.0
140.03743	0.9
144.04483	2.0
145.10132	1.8
147.11664	1.2
149.13266	2.4
151.14853	1.4
154.06523	1.3
158.11810	1.6
159.11711	1.3
161.13324	0.8
163.14807	2.4
172.13367	1.6
173.13316	0.9
177.16403	2.4
182.05988	1.9
186.14966	0.9
187.14877	1.7
196.07610	0.8
198.05447	6.1
209.08359	1.2
209.95648	0.8
212.07079	1.4
228.19498	1.0
240.06610	6.5
243.21126	4.5
261.22137	5.7
278.15167	1.3
304.26468	3.5
305.24747	2.1
322.14148	2.1
322.27448	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	322.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05515	3.2
56.96568	1.1
57.07084	1.9
60.04538	0.7
62.06096	100.0
67.05510	16.2
69.07080	3.0
70.71570	1.5
71.08644	0.8
79.05502	11.3
81.07066	17.3
83.05006	0.5
83.08638	2.1
85.06575	0.9
85.10138	0.6
89.45242	0.6
89.49290	0.4
91.05499	5.1
93.07052	13.2
95.04973	0.5
95.08620	15.3
97.06544	0.9
97.10203	1.0
98.97590	1.3
99.04503	0.6
99.08130	0.6
105.07072	3.7
107.08610	9.2
109.10159	5.2
116.98592	0.8
117.07070	1.7
119.08588	3.5
121.10164	7.2
123.11742	1.7
130.08632	0.6
131.08604	3.2
133.10136	2.3
135.08064	0.7
135.11700	4.3
137.13240	0.8
140.03737	1.1
145.10141	2.8
147.11725	1.7
147.90800	0.5
149.09625	1.0
149.13258	2.5
151.14940	0.8
158.11731	0.8
159.11736	1.6
161.13309	1.3
163.14883	1.7
165.16463	0.7
172.13380	1.3
173.13324	1.4
175.14767	0.5
177.16402	4.1
186.14972	1.1
187.14783	0.8
198.05653	0.8
200.16492	0.8
214.18073	1.1
224.16563	0.5
226.18048	0.9
228.19633	0.5
233.22618	0.7
238.18140	1.1
240.06572	0.6
240.19585	0.9
243.21103	5.4
252.19455	0.6
261.22153	7.6
278.24884	0.5
285.49194	0.5
304.26279	2.7
305.24591	2.4
322.27457	25.6
323.22189	0.7
326.46561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58127	2.7
56.96547	5.7
61.02920	11.5
69.03438	8.0
70.40382	10.3
70.98137	3.0
73.02919	3.6
84.08161	5.2
84.91183	3.2
85.02912	9.8
91.03949	3.2
92.55653	3.6
95.04975	3.4
97.02901	6.8
98.21505	3.1
98.97591	10.0
101.00871	13.0
103.22656	2.7
116.98658	3.7
119.01933	18.4
121.01629	3.1
129.05467	2.8
131.01932	4.7
133.03481	6.9
143.01920	8.9
145.03465	6.9
149.01102	3.0
151.09373	2.6
157.03445	14.5
161.02980	7.4
163.04587	3.5
169.03557	3.4
173.02916	3.6
175.04552	6.3
187.04588	3.5
189.00703	3.6
205.05498	6.2
211.04584	4.7
211.08029	3.1
220.06827	8.2
223.06619	32.7
225.06485	3.4
241.07773	8.6
249.02655	2.8
261.08154	3.3
263.06113	3.1
291.05743	22.2
295.08746	7.4
305.07004	3.3
323.07468	100.0
323.11319	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61272	2.7
77.60838	3.0
80.58403	2.8
81.03498	3.3
94.01915	3.4
94.93019	4.1
95.26079	2.4
129.25485	2.8
140.45461	3.0
161.99629	11.1
173.03075	4.1
201.65234	3.0
203.03908	3.6
244.03134	3.1
248.89804	8.9
322.97208	5.9
323.07587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44422	1.0
53.96382	1.1
56.96565	2.9
61.02922	1.4
68.78647	1.2
69.03425	4.2
70.99479	2.2
70.99866	1.5
77.00886	1.1
82.99837	7.0
84.04491	1.8
85.02916	5.6
91.05513	3.0
93.07047	3.9
97.02895	3.0
98.97598	15.7
101.00890	64.4
103.00645	2.3
109.02878	1.2
110.97546	1.4
112.99123	2.1
113.00892	4.6
115.02445	4.5
116.98644	2.8
119.01932	48.7
121.01704	2.2
121.06519	20.3
122.07118	1.6
127.02437	5.3
131.00220	2.0
131.01932	9.0
133.03481	8.9
137.02950	2.5
137.05988	2.0
139.02420	11.6
142.03447	1.9
143.00179	2.0
143.01912	25.7
145.01672	2.2
145.03485	16.4
147.03078	1.3
155.01884	6.2
156.02626	1.8
157.03484	48.5
158.99666	2.0
161.01167	1.2
161.01596	1.6
161.02974	16.9
161.07115	3.1
163.04475	6.8
165.03981	2.6
169.03482	1.7
173.01404	2.1
173.02992	7.7
175.02789	3.6
175.04549	17.6
177.00905	1.3
179.02258	2.8
179.05542	5.1
180.07678	3.2
181.05667	5.1
185.02922	2.6
187.04570	3.5
191.08171	1.6
195.05109	1.7
197.03348	1.6
197.06685	3.4
201.02457	3.2
203.02263	4.7
203.04027	4.6
203.05690	1.7
205.05579	27.7
207.04974	1.4
215.03970	3.1
217.07193	1.4
219.03543	2.9
221.03282	7.3
221.05060	4.5
221.06926	7.0
223.06653	100.0
233.06841	10.5
235.08281	1.7
239.04367	3.7
241.07675	18.3
247.08139	1.6
263.07690	4.9
275.07800	1.7
277.03946	1.3
281.05188	2.8
291.05637	1.2
305.07104	32.5
323.08246	98.8
323.11206	36.6
341.10861	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65263	0.4
70.74294	0.9
75.45329	0.5
77.65366	0.4
81.03418	0.6
86.29607	0.4
91.05441	0.6
98.97569	0.4
107.04940	0.7
109.02875	1.3
109.23155	0.4
119.04998	0.7
121.06492	1.1
134.93088	0.4
136.07549	0.6
147.04425	1.1
161.05963	0.6
202.07721	0.5
203.08575	1.9
214.40929	0.4
231.07916	2.0
247.07513	0.6
248.08333	1.4
259.07614	0.5
263.05338	0.6
263.10638	1.3
276.07883	1.0
291.10135	4.0
293.07974	0.9
305.11557	0.4
305.14804	0.5
323.10983	100.0
324.11099	1.1
347.77707	0.4
349.51962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01873	0.8
56.96569	0.8
58.38301	0.3
66.56590	0.4
67.05544	0.4
69.03420	0.8
69.07079	0.6
71.59451	0.6
79.05511	1.9
81.03408	0.9
81.07056	1.4
83.05010	0.4
84.96043	0.5
91.05489	1.9
93.07024	0.7
94.04195	0.8
95.04971	0.7
95.08620	0.6
97.02888	0.6
98.97560	1.0
103.05465	2.9
105.07038	9.4
107.04971	0.8
109.02863	0.6
109.06527	1.5
109.10168	0.4
115.05445	3.5
117.03345	0.5
118.04159	0.8
119.08592	0.5
121.06543	2.3
121.10152	0.4
122.03665	2.3
123.04424	0.5
128.06213	1.1
131.04941	1.6
132.05678	0.5
133.06497	6.4
133.10049	0.4
135.04414	0.4
137.05986	25.7
139.05499	0.8
141.07001	1.2
143.04958	0.7
146.03641	5.1
147.04376	0.5
147.08075	0.5
149.06030	1.7
156.05682	0.9
159.08052	1.1
161.05992	63.3
162.06609	0.5
163.07521	0.5
165.07022	0.7
167.04930	1.1
169.06487	0.6
171.08066	1.5
175.07574	1.3
177.05481	1.4
177.06866	0.5
178.07762	0.8
179.08571	0.7
181.28891	0.5
184.05183	1.4
189.06979	1.1
190.07867	0.7
191.06996	1.4
191.08575	3.1
192.09282	2.4
199.07565	11.8
202.06314	0.5
202.07791	16.5
203.08568	26.9
204.09343	1.7
205.06433	3.4
205.09998	0.4
206.07224	0.7
206.99640	0.8
207.08160	0.5
209.01208	1.7
213.06981	0.7
215.08600	1.5
217.09941	0.5
218.07379	0.6
219.06187	0.7
219.08080	7.5
219.81113	0.4
220.08858	9.1
221.09630	1.0
227.02301	3.7
229.06364	0.7
230.07297	3.5
231.08066	46.0
232.08830	8.5
233.05998	1.2
233.09569	0.8
234.06754	0.9
235.07510	1.4
235.11122	1.9
237.09213	1.4
241.06522	0.7
242.07271	0.5
243.07965	0.7
245.03349	1.6
245.05873	0.6
245.09625	1.3
246.10580	0.4
247.07568	8.0
248.08354	21.7
249.09120	2.9
250.03819	0.4
250.06273	0.6
252.39580	0.4
258.06766	3.5
259.07562	32.4
260.08331	24.5
261.05545	0.6
261.09073	2.8
262.10034	2.4
263.10678	18.7
265.08508	2.3
273.09067	1.6
274.09836	0.7
275.07098	4.0
276.07837	18.5
277.08618	4.9
279.10202	0.5
280.10974	1.7
281.03253	2.4
290.09393	0.5
291.10165	100.0
292.10855	6.5
293.08130	4.3
293.11313	0.6
295.10248	0.6
295.13226	3.1
299.04379	3.5
305.11957	0.5
308.10422	4.2
323.12784	69.2
324.13242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03935	1.8
55.01853	1.9
57.03419	1.1
58.11871	1.1
63.04183	1.0
68.23973	1.0
69.03416	2.4
70.18007	2.1
79.05479	4.8
81.03383	1.6
83.04997	1.3
90.56613	1.1
91.05464	3.7
93.07046	11.5
94.04180	1.4
95.04951	3.8
95.94932	1.3
98.20857	1.4
98.97540	1.6
103.05450	3.8
105.07036	16.0
109.02870	3.9
111.04401	1.8
115.05446	10.8
117.07054	1.8
118.04102	1.3
121.06456	1.8
121.10142	10.1
122.03649	2.5
124.07596	1.2
127.03938	1.9
130.04140	1.6
131.04907	3.9
133.06505	13.9
137.05984	32.8
139.03879	1.6
143.06058	3.5
146.03589	4.7
146.07263	3.7
147.04375	2.7
149.05936	3.5
151.07518	2.1
159.06790	1.1
160.05209	1.7
161.05989	59.5
162.06673	3.8
163.07539	1.5
165.05464	1.4
167.10640	1.7
171.08037	2.0
175.07579	2.5
177.05441	5.2
184.05215	1.5
191.08583	3.1
192.09343	2.7
199.07574	7.0
202.07811	12.9
203.08574	30.7
205.06519	2.7
213.44720	1.1
219.08086	8.1
220.08844	9.0
221.09711	1.4
230.07227	2.5
231.08052	42.0
232.08832	8.1
233.05859	2.9
235.11118	2.1
237.09148	1.8
245.09644	1.3
247.07558	7.4
248.08348	25.4
249.09077	2.4
250.06355	2.4
258.06790	3.4
259.04980	1.8
259.07565	26.6
260.08340	10.5
261.09097	1.3
263.10669	30.7
265.08572	4.6
267.16525	1.4
273.09100	1.7
275.06799	2.0
276.07785	18.0
277.08575	6.8
291.10153	100.0
292.10846	6.6
293.08060	7.3
295.13257	3.0
305.11603	1.9
307.09708	1.1
308.10431	6.5
311.73151	1.1
323.12711	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	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01884	0.7
70.88171	1.4
70.88518	1.1
73.45152	0.6
79.05486	2.4
81.03402	0.8
81.07040	1.0
91.05476	1.9
93.07021	1.5
94.04156	1.8
95.04990	1.2
103.05463	2.1
105.07043	8.2
109.02850	1.3
109.06495	1.9
115.05469	4.0
118.04138	0.8
119.04958	0.8
119.08533	0.7
121.10119	1.0
122.03661	4.4
122.37649	0.6
128.06226	1.2
131.04947	2.1
133.06454	5.5
136.65031	0.7
137.05984	56.8
139.05531	0.8
141.06981	1.2
143.06035	0.8
145.06461	1.0
146.03625	7.4
147.04399	0.9
149.06009	2.4
153.07027	0.8
159.08177	0.8
161.05991	82.3
167.04932	1.4
168.05641	1.0
171.08032	1.3
171.12987	0.7
175.07582	1.6
177.05547	1.0
184.05208	1.2
189.07034	1.2
191.08568	2.9
192.09361	2.0
199.07553	14.0
202.07761	14.3
203.08565	28.0
204.09328	1.7
205.06505	2.5
213.07100	0.9
215.08519	1.8
217.06578	0.8
217.10039	0.7
219.08072	7.3
220.08850	11.0
221.09543	1.1
229.06696	0.7
230.07301	4.0
231.08058	45.1
232.08856	5.7
233.06108	0.9
233.09709	1.2
234.06741	1.0
235.07553	0.9
235.11247	3.3
237.09084	1.8
243.08095	1.0
245.06023	0.8
245.09676	1.6
247.07573	7.8
248.05769	1.3
248.08336	22.6
249.09157	3.6
258.06805	3.0
259.07556	33.0
260.08310	15.1
261.09100	1.6
262.09860	1.5
263.10681	25.0
264.07867	0.7
265.08603	4.1
273.09076	1.4
274.09897	1.2
275.07166	3.9
275.09976	0.8
276.07819	14.4
277.08566	5.9
280.10852	0.9
290.09302	1.7
291.10165	67.7
292.10922	6.9
293.08096	7.1
295.13300	3.9
305.20346	0.8
307.09720	1.4
308.10468	7.0
323.12787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.128
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
57.00737	0.3
57.89178	0.4
58.19359	0.4
70.47215	1.1
71.04987	0.7
77.58032	0.4
85.02903	0.8
91.05433	0.6
94.04188	0.4
105.06998	1.4
109.06501	0.9
115.05444	0.4
121.06525	0.4
122.03620	1.3
131.04889	0.5
133.06487	1.1
134.64885	0.4
137.05986	14.1
141.07047	0.4
143.04950	0.5
145.06358	0.5
146.03593	1.3
149.05984	1.7
152.06125	0.5
161.05995	12.0
165.06966	0.5
167.04921	0.6
169.06555	0.5
171.08110	0.8
175.07570	1.8
177.06920	0.5
179.08646	0.5
181.06425	0.6
184.05226	0.7
187.07564	1.1
189.06931	0.7
191.08536	0.8
192.09241	0.7
197.05948	0.7
198.06705	1.1
199.07565	8.2
201.09166	0.4
202.07765	7.5
203.06653	0.9
203.08571	18.6
204.09290	0.7
205.06538	2.0
206.07191	0.5
209.06078	0.6
209.09656	0.6
210.06752	1.1
211.07558	1.0
213.09016	0.5
215.08746	0.7
217.10129	0.4
218.07227	0.9
219.08060	3.8
220.08873	5.3
221.09575	0.9
223.07462	0.7
226.06335	1.9
227.07013	0.5
230.07254	1.2
231.08066	26.3
232.08838	4.2
233.05988	2.7
233.09578	0.9
234.06804	1.0
235.07513	0.7
235.11205	1.3
236.08371	0.6
237.05418	0.8
237.09056	2.7
239.07117	0.5
240.07814	0.6
241.08609	6.4
242.07144	0.7
243.08037	0.6
245.09554	1.8
247.07587	4.9
248.08353	28.1
249.09132	4.5
250.06303	1.6
250.09906	0.4
251.07068	2.1
251.10651	0.5
252.07838	0.9
252.11397	0.5
255.06540	1.0
258.06735	1.4
259.04971	0.8
259.07578	12.4
260.08334	5.9
261.05557	1.2
261.09094	1.8
262.06302	1.6
262.09912	3.0
263.10715	20.6
264.07813	1.5
264.11221	0.8
265.08615	6.0
266.08963	0.6
267.10187	0.5
269.08112	4.9
270.08881	0.7
273.08948	1.1
274.09918	0.5
275.07092	1.2
275.10675	1.1
276.07837	18.2
277.08588	11.2
277.79343	0.4
278.05780	1.3
279.06583	2.0
279.10181	1.0
280.07394	1.1
280.10977	2.6
281.11575	0.5
290.09369	2.7
291.10168	61.4
292.07349	1.6
292.10876	11.1
293.08090	7.7
293.11298	0.6
294.08795	2.5
295.09625	2.7
295.13330	2.6
305.11783	5.5
307.09677	4.2
308.10397	10.9
316.16718	0.4
323.12796	100.0
324.13226	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.128
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.09155	0.7
69.35197	4.2
69.35624	2.6
75.17657	0.7
76.49866	0.7
79.05477	2.2
79.28297	0.8
81.07052	0.7
81.84052	0.7
91.05485	1.6
94.04181	1.9
98.20720	1.6
103.05466	1.4
103.47669	0.8
105.07045	9.4
106.44363	0.7
106.52093	0.8
109.06508	2.6
111.48862	0.7
115.05447	3.3
117.03436	0.7
118.96952	0.7
122.03655	3.4
128.06175	1.5
131.04941	2.1
133.06508	6.1
137.05988	49.3
139.05443	1.2
141.06981	1.4
146.03658	6.2
149.05978	1.8
161.05998	71.5
164.06978	1.0
167.04924	2.1
168.05766	0.8
171.08029	1.2
175.07596	1.2
177.05461	2.0
183.96561	0.9
184.05254	1.4
189.07002	1.7
191.08556	3.1
192.09267	2.2
199.07578	14.6
202.07788	18.1
203.02466	0.7
203.08575	30.8
204.09297	1.3
205.06525	1.8
205.10159	1.0
213.07155	1.3
215.08426	1.4
219.08057	10.0
220.08864	8.5
221.09653	1.0
229.06435	0.7
230.07204	4.8
231.08072	47.9
232.08839	5.9
233.05980	1.5
233.09637	1.1
235.11200	2.0
237.09109	1.9
241.06572	1.1
243.07957	1.8
245.09698	2.1
247.07565	7.9
248.08327	20.8
249.09058	2.7
258.06763	3.4
259.07556	35.8
260.08377	19.9
261.09039	2.5
262.09912	1.4
263.10675	21.1
264.07831	0.9
264.11267	1.4
265.08630	3.6
273.08987	1.3
275.07056	5.6
276.07843	15.7
277.08633	6.4
280.11038	1.2
291.10175	81.3
292.10901	8.0
293.08133	5.0
295.09940	1.1
295.13278	3.3
307.09708	1.8
308.10449	5.9
323.12793	100.0
324.13120	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.43109	0.4
54.15923	0.4
70.00249	1.3
70.00648	0.7
81.03422	0.7
85.02877	1.1
87.13154	0.4
89.95892	0.4
91.05415	0.6
95.08543	0.5
98.20822	0.8
98.97590	0.8
105.07028	0.8
109.02871	1.4
118.00440	0.4
121.06503	0.6
121.10044	0.4
122.68968	0.4
127.60424	0.4
128.91927	0.4
133.06465	0.8
136.07578	1.2
137.05971	2.3
139.05403	0.6
145.02718	0.4
146.03600	0.8
147.04396	2.9
149.05934	2.0
151.07552	1.1
160.05215	0.4
161.05992	4.1
162.63896	0.4
164.07057	0.6
165.05460	1.8
165.06952	0.5
167.04886	0.7
170.07280	0.5
171.08086	0.9
175.07536	1.6
177.05479	0.5
179.93370	0.5
181.06412	0.6
184.05260	0.5
185.46945	0.4
187.07578	1.2
190.07732	0.7
191.08519	2.0
192.09332	1.3
198.06718	0.9
199.07607	3.8
201.09081	1.7
202.06032	0.8
202.07774	9.1
203.08568	30.2
204.09264	0.7
205.06479	2.4
205.10164	0.6
206.07069	0.6
207.08141	0.5
211.07645	0.6
215.08499	1.2
217.10146	0.9
219.08061	6.3
220.08841	9.8
221.09616	0.6
225.09227	0.9
226.06189	0.6
230.07303	2.6
231.08061	36.8
232.08817	8.7
233.06032	3.4
233.09737	1.0
234.06804	0.9
235.07463	1.3
235.11197	1.4
237.09155	2.8
241.08591	2.5
242.07359	0.8
245.09622	1.8
246.10411	0.4
247.07574	6.0
248.08350	28.3
249.09116	4.0
250.06247	1.9
251.07022	0.6
252.07736	0.5
252.11435	0.4
258.06802	1.1
259.07547	15.3
260.08325	7.7
261.05521	0.8
261.09048	3.0
262.06122	0.9
262.09930	2.2
263.10690	34.9
264.07968	0.7
264.10867	0.6
265.08624	5.9
265.11499	0.7
269.08078	1.8
273.09155	2.0
274.10068	0.9
275.07007	1.3
275.10440	0.7
276.07809	16.1
277.08594	8.6
278.05853	2.1
278.08640	0.4
279.06885	0.7
279.10138	1.3
280.07730	0.5
280.10938	2.1
289.08694	0.6
290.09259	2.4
291.10165	72.6
292.07581	0.9
292.10858	7.7
293.08102	11.7
293.11371	1.1
294.08875	0.9
295.09909	0.8
295.13397	1.2
305.11841	2.7
307.09525	2.6
308.10428	8.4
323.12787	100.0
324.13254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.26168	0.7
55.01874	0.9
55.32975	0.7
56.96552	2.6
64.07935	0.6
67.05505	0.8
67.38501	0.7
69.03427	2.0
69.07076	0.8
69.85805	4.1
79.05474	2.3
81.03411	1.3
81.07040	1.5
86.09678	2.2
87.09999	0.8
91.05457	2.5
93.07043	1.5
94.04177	1.1
94.35840	0.7
95.08587	0.9
97.02911	1.7
98.97593	1.4
103.05445	3.4
105.07027	9.8
109.02911	1.6
109.06483	1.2
115.05441	2.7
117.03358	0.9
120.08061	2.1
121.06495	3.5
122.03646	2.9
122.08803	0.8
123.04476	1.2
128.06245	1.3
129.11134	1.0
131.04915	2.6
132.05630	0.9
133.06493	6.2
135.04433	1.9
137.05975	24.8
139.05423	1.2
143.04875	0.8
145.02840	1.6
146.03624	5.6
147.04373	1.0
149.06007	1.8
151.07541	1.3
159.08115	1.4
161.05988	67.7
163.00598	0.8
163.07552	1.5
165.06906	1.0
166.08713	0.9
167.04919	1.2
167.06984	0.8
167.08913	1.0
168.88390	1.0
169.08521	0.8
171.07980	1.7
175.07544	2.8
175.67513	0.8
177.05424	1.9
178.07799	1.0
184.05142	2.1
189.06992	1.0
190.07735	1.1
191.07013	2.4
191.08580	3.2
192.09351	2.3
199.07535	11.9
202.07762	17.1
202.09523	1.4
203.08569	26.5
204.09264	1.1
205.06445	2.9
205.10048	1.1
206.99631	1.0
209.01215	2.2
215.08517	2.1
217.06377	1.0
218.07233	1.3
219.08055	10.9
220.08839	9.5
227.02243	7.1
230.07378	4.1
231.08061	43.6
232.08810	7.4
233.06010	1.2
233.09525	1.7
234.06757	1.3
235.11224	1.9
237.09135	1.8
241.06467	0.9
245.03336	3.4
245.09648	2.3
247.07562	7.4
248.08347	24.9
249.09167	1.4
258.06766	2.9
259.07565	36.7
260.08316	24.0
261.09036	2.0
262.09903	2.8
263.10684	21.6
265.08618	2.9
273.08978	1.1
275.07013	5.5
276.07828	16.5
277.08551	5.2
280.11212	1.1
281.03232	4.1
290.09363	1.3
291.10153	100.0
292.10858	7.3
293.08011	4.2
293.11169	0.9
295.13202	2.4
299.04388	6.6
308.10321	5.4
323.12772	76.4
324.13193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1393
Annotation	Diphenylalazine B
Peak:m/z	Relative Intensity
56.96563	0.3
61.00908	0.3
62.70768	0.3
67.05503	0.5
71.30601	0.7
78.01164	0.3
79.05473	0.5
81.07049	0.9
81.53695	0.2
87.80105	0.3
91.05483	1.0
93.07030	0.6
103.05465	1.0
105.07047	0.3
107.04975	1.3
107.08601	0.4
115.05459	0.6
116.04982	0.5
116.35934	0.3
117.05759	1.1
118.06541	1.2
121.06478	0.8
121.10175	0.3
124.07559	0.4
130.06541	30.6
131.06082	2.2
131.06969	0.5
132.04472	0.6
133.05246	0.4
142.06529	1.9
143.06035	0.5
144.04448	1.1
145.05261	1.8
146.06018	4.1
148.07590	0.7
155.06041	0.8
156.06827	0.4
158.06052	0.5
160.03973	3.3
160.07629	0.4
164.07056	0.3
174.05537	7.1
175.06308	12.4
176.07097	11.8
178.08694	0.5
182.08304	0.6
188.07076	1.7
194.08159	1.2
195.09392	0.3
204.08130	0.3
206.08144	37.2
207.09058	0.8
217.08977	0.5
218.09729	1.7
219.09123	1.6
220.07701	0.3
220.09735	0.7
221.07153	0.4
221.10762	1.0
222.86066	0.3
230.08240	0.5
231.09134	0.6
232.09981	0.9
233.10658	2.1
234.09251	0.6
234.11452	0.5
235.08615	3.4
235.12276	0.4
243.08975	0.4
244.09901	0.6
245.10808	3.5
246.09082	0.8
246.11499	0.8
247.08472	0.8
247.09856	0.4
247.12242	0.4
248.09351	1.6
249.10254	2.1
259.08649	1.0
260.09598	0.3
260.10834	0.3
261.10242	2.9
262.08575	1.0
262.11105	2.3
263.08054	2.6
263.11768	2.5
265.09650	0.4
271.08722	0.4
272.09534	0.5
273.10245	4.0
274.08487	0.4
274.11084	3.0
275.08237	2.7
275.11829	1.1
276.10150	0.4
277.09799	2.4
277.13434	1.0
278.10358	6.0
279.11169	0.9
287.11743	0.3
289.09692	4.2
290.10519	8.7
291.11313	3.2
292.12085	1.1
294.11285	6.1
295.11328	0.3
295.14429	1.3
296.12769	1.1
305.12872	11.0
306.11163	0.9
307.11865	0.3
323.13928	100.0
324.14380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
61.12136	0.9
67.05503	2.3
70.94357	1.2
70.94669	1.1
79.05500	1.6
84.08163	1.7
91.05473	1.5
94.06565	4.6
106.06546	1.3
108.08127	18.5
110.06071	4.9
115.32446	0.9
118.06559	4.4
119.07356	5.6
120.08109	7.9
122.06060	4.6
123.06818	2.3
124.07601	11.1
124.36356	1.0
130.06641	1.1
132.08130	1.2
133.07597	1.2
135.06825	1.5
136.07588	100.0
142.08641	9.3
145.07562	1.2
146.06033	4.8
146.08411	1.4
147.06805	2.4
147.09175	1.2
148.07620	4.9
152.07108	1.8
154.08661	3.4
160.07611	1.6
161.07115	1.8
164.07085	34.7
166.08676	1.1
170.08347	1.3
172.11287	1.1
173.10793	5.0
181.08844	2.1
182.15192	1.1
183.09158	1.8
185.10832	2.9
195.09248	1.2
196.11295	1.7
197.10799	2.1
198.11508	2.7
201.10257	7.5
203.08597	1.2
211.08719	3.2
212.09354	1.9
213.10243	7.3
213.13954	3.2
215.11832	1.1
223.12291	1.8
224.10701	3.2
225.10223	5.5
226.11034	8.4
231.08035	1.5
239.11696	1.9
240.08949	1.4
240.12598	2.6
241.09775	6.7
241.13371	26.6
254.10522	3.3
259.14432	26.3
269.12888	39.0
277.15512	2.6
287.13907	34.6
288.14404	1.5
291.10202	3.3
305.14966	98.4
306.15436	1.4
316.46609	1.1
323.10861	19.8
323.16068	1.7
324.11389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01862	4.1
55.05508	15.9
56.96537	5.1
57.07074	6.6
59.04992	4.2
62.06063	4.2
67.05173	5.4
67.05505	75.1
69.03435	31.1
69.07066	17.6
69.32803	31.6
71.04990	22.1
71.08643	6.8
79.05501	33.3
80.66370	3.5
81.03417	7.8
81.07064	73.5
83.01344	10.9
83.04985	21.5
83.08640	4.0
84.17053	3.3
84.43327	3.2
85.02900	5.4
85.06534	10.2
91.05490	41.7
93.07043	41.6
95.04984	19.4
95.08044	5.9
95.08618	69.4
97.06528	11.8
97.10172	3.9
98.21449	8.8
98.97566	13.7
99.04466	52.2
99.08099	6.6
103.05455	6.5
103.42704	4.6
105.07046	54.9
107.04943	6.6
107.08591	50.1
109.06516	26.2
109.09481	4.2
109.10164	60.8
111.04447	18.6
112.25426	4.1
113.05973	7.4
114.10248	4.9
115.05452	8.3
115.07628	3.7
116.98626	9.2
117.07029	10.1
118.07745	4.8
119.08581	35.4
121.06539	17.9
121.10160	49.3
122.07263	16.8
123.08065	37.7
123.11707	42.7
125.05975	10.9
125.09599	5.1
127.07557	4.3
128.06197	4.5
129.07022	7.1
131.08568	12.1
133.10139	65.9
135.08054	39.6
135.11694	5.8
136.08824	6.2
137.05925	5.6
137.09619	100.0
143.08607	6.1
145.10118	8.9
147.08044	5.5
147.11705	10.4
149.09720	8.5
151.11192	32.5
159.11761	6.6
161.09608	12.8
163.11166	8.2
173.09508	4.8
179.10652	32.5
187.11119	7.8
249.18703	4.3
258.99792	10.0
277.00723	8.9
282.38211	4.1
323.12720	5.9
323.18527	16.4
323.22144	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	323.2216
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03943	1.4
55.01879	5.8
55.05495	4.1
57.03439	29.8
57.07086	1.3
67.05173	1.8
67.05508	27.1
69.03409	1.5
69.07062	2.9
71.04988	4.4
71.48791	1.8
79.05479	11.7
81.03395	1.8
81.07064	14.2
83.04976	2.2
83.08600	2.5
85.02895	1.4
85.06544	28.1
91.05482	9.6
93.07037	11.1
95.04966	38.9
95.08607	7.1
97.06555	1.8
97.10164	1.4
98.11194	1.5
98.97608	1.9
105.07037	8.0
107.04942	4.1
107.08601	9.5
109.06523	24.9
109.10143	1.8
111.04405	3.0
111.08092	2.4
113.06009	100.0
115.05483	1.0
117.07003	4.4
119.08563	4.8
121.06481	2.6
121.10121	3.5
123.01582	1.1
123.08047	1.2
129.06985	3.0
131.08586	7.9
133.10121	2.9
135.07106	1.6
135.08047	19.3
135.11705	3.8
137.09622	2.0
143.08568	3.0
145.10094	5.5
147.08025	2.1
149.09610	3.5
149.13284	1.8
157.10120	3.4
159.11671	2.9
161.09599	2.5
163.11142	2.7
169.10083	1.6
171.11635	1.1
173.13219	2.1
177.12677	1.4
181.12186	1.6
199.14801	3.1
217.15910	6.5
219.13893	1.1
227.12688	1.6
230.61537	1.3
242.09776	1.5
245.18919	1.9
273.18500	15.0
291.19562	45.0
305.21091	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01876	4.4
55.05265	1.2
55.05516	18.8
57.03428	2.3
57.07073	1.5
62.06095	45.7
62.83393	0.8
63.06424	5.2
65.03951	1.4
67.05175	1.3
67.05508	21.0
68.05827	2.2
69.02517	0.8
69.03449	4.6
69.07072	15.1
71.05004	0.9
71.57190	1.3
73.75896	0.8
79.05503	17.8
80.05828	1.3
81.03432	2.1
81.07066	18.4
82.07395	2.7
83.04984	2.5
83.08626	11.0
87.41695	0.8
88.76588	0.8
90.79053	0.8
91.05488	9.8
93.07053	15.7
94.07389	2.8
95.05006	4.3
95.08616	11.5
96.08941	1.9
97.02895	2.8
97.06535	1.6
97.10181	17.8
98.97581	1.7
103.05446	1.0
105.07026	7.5
107.04967	3.7
107.08602	11.2
108.08923	1.7
109.06542	1.6
109.10159	4.9
110.10490	1.5
111.08107	1.2
117.07009	4.8
119.08592	9.4
121.06485	2.1
121.10178	5.2
122.10477	1.1
123.04485	1.0
123.08076	3.9
123.11738	2.0
125.09636	12.7
129.07007	2.8
129.97389	0.8
131.08549	5.7
132.08882	0.9
133.06560	1.3
133.10139	3.1
134.07408	0.9
134.10489	0.9
135.08092	4.0
135.11710	2.8
137.09593	2.4
141.06999	1.3
143.08604	2.3
145.10141	3.6
147.08067	3.7
147.11668	2.4
149.09657	1.3
149.13287	1.8
151.11172	1.1
153.09113	2.5
157.10133	2.0
157.12201	0.9
159.11732	1.7
161.09677	1.1
162.10458	0.9
163.11224	1.4
165.09172	1.3
171.11726	1.3
173.13432	0.8
175.11234	1.3
203.12747	6.0
205.12228	1.7
223.13269	10.2
237.14767	1.7
244.21509	1.3
255.17320	1.3
262.22653	1.8
263.20065	1.8
273.18506	7.0
277.00922	1.0
291.19562	100.0
292.20004	1.3
305.17737	1.7
305.21140	17.3
305.26590	1.5
306.25238	0.8
323.22336	2.3
323.27905	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.9
55.01865	16.6
55.05511	35.3
56.96574	3.8
57.03418	11.8
57.07073	8.3
57.80437	3.2
59.04997	4.3
65.03937	4.3
67.05170	5.9
67.05508	82.5
69.03415	12.9
69.07068	35.4
71.04987	7.1
71.08626	4.6
71.57774	5.0
72.94572	2.9
73.02921	3.4
79.05498	50.6
81.03408	8.8
81.07058	99.1
83.04984	35.4
83.08622	18.7
85.02905	4.5
85.06544	10.1
91.05484	58.7
93.07054	61.2
95.04974	10.9
95.08616	50.5
97.02904	6.1
97.06528	11.3
97.10194	7.5
98.97627	7.8
99.04455	3.4
99.08135	5.1
105.07031	58.2
107.04969	13.9
107.08596	55.0
109.02894	3.6
109.06519	14.6
109.10161	68.1
111.04433	7.5
111.08080	11.1
113.06042	3.5
117.07020	11.5
119.08580	23.1
121.06544	14.2
121.10155	16.8
122.30508	3.0
123.04423	4.1
123.08112	7.3
123.11674	20.5
125.06000	3.6
129.06998	7.5
131.08569	14.1
133.06494	16.1
133.10136	100.0
135.08063	10.3
135.11668	14.8
137.09584	5.9
139.07518	8.2
143.08571	10.4
145.06485	3.9
145.10133	11.5
147.08052	12.0
147.11678	9.6
149.09637	15.6
149.13354	3.2
151.11186	88.2
151.77725	3.0
157.10152	4.2
159.08075	6.3
159.11731	3.2
161.09601	10.8
161.13269	4.6
163.11237	8.8
165.09102	3.1
171.11765	6.3
173.03003	4.4
175.11150	5.2
177.09125	12.3
179.10674	11.5
183.13812	31.4
185.02979	3.2
185.13390	3.1
189.12717	6.0
211.13278	3.5
217.12242	5.0
229.14433	7.6
245.05025	3.6
245.19003	14.0
255.17429	5.9
263.20074	15.4
273.18454	36.1
291.19540	56.2
305.21176	25.0
323.22183	37.1
323.25912	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	323.2583
Annotation	Gypopinifolone
Peak:m/z	Relative Intensity
51.73212	1.4
52.26855	1.2
53.03937	2.1
53.72364	1.4
55.01880	12.2
55.05516	23.2
55.38392	1.6
55.59687	1.4
57.03437	6.4
57.07073	3.3
63.50910	1.4
65.03936	2.2
66.55550	1.5
67.05509	61.4
67.05871	3.1
69.03441	2.5
69.07072	76.8
69.31333	13.8
71.04994	8.4
79.05057	2.8
79.05498	43.8
79.21263	1.5
81.03407	1.9
81.07062	100.0
83.04991	9.4
83.08636	15.4
85.06543	14.3
87.04475	1.9
91.05479	34.8
93.07050	50.3
95.04991	9.7
95.08612	54.2
97.06541	15.9
97.10178	7.0
98.97617	1.8
99.08090	13.6
99.91970	1.5
105.07032	26.2
106.07360	1.4
107.08593	33.7
107.64063	1.3
109.06526	11.1
109.10156	18.3
111.08083	7.5
111.11737	1.9
113.06020	13.5
113.09670	2.0
115.07510	1.6
117.07028	4.1
118.01545	1.5
119.08591	23.9
121.06506	2.3
121.10152	37.9
123.04314	1.4
123.08074	7.7
123.11698	8.5
125.09637	31.6
129.07018	4.4
129.09187	1.6
131.08578	8.8
133.10118	14.6
135.08089	4.1
135.11711	42.1
137.09602	2.9
137.13213	1.8
139.11220	2.2
143.08574	4.1
145.10130	6.2
147.07961	2.1
147.11688	27.2
149.09608	1.9
149.13263	15.8
151.11201	3.5
153.09103	1.8
157.10168	4.2
159.11676	7.1
161.13263	11.7
163.11203	6.8
163.14842	5.6
165.12796	7.1
171.11697	7.7
173.13269	5.0
175.14851	5.5
177.12830	4.4
179.14319	3.3
181.12317	2.3
185.13290	4.3
189.12788	4.7
191.14372	2.7
195.13928	2.0
199.14851	2.8
203.14319	1.6
207.13855	4.6
223.16884	2.2
231.21057	3.2
235.16960	2.3
241.19548	5.1
259.20569	14.0
277.00812	2.5
277.21652	61.8
291.19583	5.6
305.21570	1.8
305.24695	8.5
323.19983	3.4
323.25870	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	323.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	52.1
57.06821	6.4
57.07077	83.4
64.94294	3.3
67.05506	30.5
69.07070	100.0
69.67367	23.4
71.04977	3.9
71.08636	54.6
71.69951	3.6
79.05503	9.2
79.09644	3.5
81.07059	61.6
83.04995	4.5
83.08621	71.8
85.06539	8.2
85.10186	32.0
91.05491	11.6
93.07059	21.4
95.08609	74.9
97.06527	17.5
97.10177	52.9
99.72015	3.6
105.07011	31.5
107.08611	26.5
109.06541	6.1
109.10161	39.3
110.47573	4.2
111.08071	7.5
111.11709	33.4
115.07565	13.3
116.98697	4.8
119.08584	27.7
121.10157	20.7
123.08041	7.1
123.11726	26.3
125.09633	4.6
125.13298	19.2
127.07574	6.3
129.09138	7.5
133.10155	23.8
135.11673	12.6
137.09639	11.8
137.13275	11.6
139.11214	7.7
141.09193	4.1
143.10709	4.1
147.11716	28.5
149.13266	5.8
151.11185	18.8
151.14845	4.7
153.12701	4.0
155.10730	6.3
157.12163	4.3
161.13303	21.1
165.12776	21.8
165.16478	5.1
167.14313	6.3
169.12228	8.4
175.14856	8.2
179.14304	24.3
183.13815	9.2
189.16502	9.0
193.15907	13.1
197.15288	5.3
203.18001	7.0
211.16827	3.9
249.22142	6.2
263.27432	13.7
287.27325	14.1
305.28372	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	323.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	53.9
56.90220	5.1
57.07079	71.5
67.05501	26.7
69.07068	100.0
70.90240	4.7
71.08630	69.3
71.58672	4.9
79.05482	12.8
81.07056	81.2
83.08624	75.6
85.06535	12.8
85.10184	30.4
91.05486	11.4
93.07046	25.8
95.08607	84.8
97.06541	11.1
97.10165	62.6
98.97596	8.4
105.07005	23.5
107.08605	36.5
109.10147	52.6
111.08092	11.9
111.11729	27.8
115.07585	10.0
119.08533	29.5
121.10152	20.8
123.08041	8.3
123.11722	25.2
125.13267	15.0
133.10136	24.0
135.11693	12.8
137.05968	12.2
137.09621	9.0
137.13232	14.9
139.14845	5.7
147.11684	25.5
149.05975	8.4
149.13277	8.1
151.07535	15.7
151.11185	15.3
153.12749	9.5
157.12178	6.8
161.05962	9.5
161.13216	26.7
163.07526	10.6
163.14789	10.2
165.12744	22.3
169.12167	7.8
171.13869	7.3
175.14830	12.5
177.05464	7.9
179.14330	28.6
183.13763	12.5
189.16481	6.6
193.15891	7.0
197.15425	8.6
203.17960	7.2
207.17354	8.3
217.19597	7.1
221.18947	5.8
231.08038	5.6
235.20456	6.5
263.27271	17.9
287.27417	20.4
291.10196	13.6
305.28360	14.0
323.12735	29.0
323.27121	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	324.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81890	0.7
53.03937	1.2
54.96322	0.6
56.96564	0.9
57.03408	0.8
65.03924	1.1
67.05485	1.6
69.03124	0.8
69.03429	7.3
69.07046	1.0
70.06578	1.8
71.58765	1.0
72.08124	1.2
79.05483	2.7
79.06499	0.7
84.04467	0.7
84.08114	1.0
85.02900	1.6
85.06523	1.2
87.00791	1.3
87.04474	51.9
89.03913	4.5
91.05457	2.5
93.07034	1.4
95.04962	1.5
97.02851	1.3
98.97561	1.6
102.00225	0.6
105.03384	1.1
106.06524	1.9
107.04950	5.2
109.02859	1.6
117.02634	0.8
117.03393	14.9
121.06503	1.7
121.08862	0.9
121.10137	1.3
122.05981	1.1
123.04446	1.3
124.07621	0.8
125.07091	0.9
129.05466	1.7
132.04395	1.2
133.02853	7.1
134.03630	1.0
134.06013	3.6
135.04369	3.2
136.07591	4.8
137.05968	3.0
137.07933	3.7
144.04451	1.5
145.02856	35.0
146.03223	1.0
147.04401	1.3
147.09113	1.9
149.05984	5.7
150.05469	2.3
151.03906	3.5
154.08601	2.4
155.08926	2.4
157.12206	2.1
160.03940	13.7
161.02353	4.5
161.05978	1.0
162.03027	0.8
162.05495	10.1
163.03917	13.7
164.07056	3.3
165.05424	1.0
165.07448	3.6
167.10649	1.2
176.07034	0.9
177.05481	61.3
178.04944	5.2
179.03410	29.0
182.08134	1.0
183.08463	1.5
188.03320	1.0
192.06566	8.3
194.06462	1.4
194.08145	25.9
195.11197	1.0
203.08171	2.2
204.08904	3.5
206.04659	3.7
220.06023	2.2
220.08206	0.9
221.09267	1.1
231.08023	1.8
232.08418	4.3
234.06299	0.8
238.04935	0.9
238.07124	11.0
248.07936	1.7
249.08684	4.6
250.06386	1.1
250.09163	0.7
260.07822	2.6
261.08752	0.8
263.10437	0.8
264.08517	1.0
264.11139	4.4
277.08115	2.5
278.10309	3.7
280.11780	6.7
291.09720	1.1
292.07690	0.9
292.10547	10.1
294.04504	0.7
294.08173	2.0
308.09988	0.9
324.10608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61391	0.5
67.48940	0.6
69.56580	1.9
69.56995	1.1
72.60049	0.5
72.76440	0.5
79.05483	0.9
89.03914	0.6
97.02870	0.6
98.20743	0.9
99.30117	0.4
104.05019	0.5
106.06563	2.3
116.04971	1.0
118.02904	0.8
120.04478	1.0
121.08868	1.2
132.04454	1.3
134.06027	4.8
135.04451	1.1
144.04445	2.3
145.02928	0.8
150.05540	1.0
150.09114	0.5
160.03951	7.0
160.07501	0.7
162.05518	15.5
163.03937	4.0
164.07082	0.7
166.08549	0.6
176.07091	4.8
178.04993	4.9
178.08647	1.7
180.06554	0.5
185.40691	0.5
188.03412	1.9
188.07112	0.8
192.06538	5.6
194.08136	26.9
204.06578	4.7
206.04338	0.5
206.08179	3.7
208.09660	0.6
209.06888	0.6
220.06052	1.7
220.09712	4.1
222.07629	12.5
229.04895	0.5
232.06064	1.5
236.09184	25.2
237.09508	0.7
238.10757	69.6
239.11143	0.9
246.07611	0.5
250.07199	1.6
252.12411	0.8
264.08685	12.2
264.11453	1.0
280.08887	0.4
280.11826	10.2
282.09747	19.5
324.10800	100.0
325.11279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.3
57.03438	0.4
57.70950	0.3
59.04036	0.3
66.38673	0.4
68.37445	0.3
68.79895	0.3
69.03443	0.8
71.04993	2.5
71.40122	0.8
83.05006	0.6
84.96027	0.5
85.02910	2.9
87.04477	45.2
91.05498	0.9
92.64153	0.4
97.02871	0.8
98.97555	0.9
104.05022	0.5
109.23816	0.4
117.03391	0.6
120.08114	1.6
121.06504	0.5
129.05466	0.5
130.01089	0.4
132.04475	1.5
135.04424	1.0
137.06020	0.5
143.00090	0.5
145.02895	0.9
146.05962	0.9
147.04439	1.9
158.99667	0.4
163.03932	6.9
164.07086	58.6
165.07788	1.5
166.08669	0.9
170.04230	0.4
178.03929	0.7
178.08633	1.5
196.09654	1.5
206.08150	0.5
221.01201	0.5
238.10687	0.8
239.02309	1.6
250.10774	100.0
251.11420	3.7
254.82477	0.4
257.03366	0.5
282.13403	2.4
324.11212	0.6
324.14407	3.6
324.18167	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2171
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.51134	0.4
53.03945	0.7
55.01886	0.8
55.05514	2.1
56.96570	0.9
57.07082	0.7
57.12106	0.5
61.36639	0.4
65.42309	0.4
67.05508	3.8
68.54427	0.4
69.03432	1.0
69.07074	9.4
70.72885	0.4
70.73215	1.2
76.04642	0.4
79.05500	3.1
81.07065	7.9
83.04995	2.9
85.02917	1.3
86.09711	100.0
91.05488	9.2
91.06020	0.9
93.07049	12.3
95.04981	2.3
95.08614	2.4
97.02921	1.0
97.06493	0.5
98.97600	0.7
105.07038	14.0
107.04945	0.8
107.08589	3.7
107.51183	0.5
109.06525	8.1
109.10173	1.3
111.08094	3.8
117.03419	0.5
117.07104	0.8
119.08598	4.5
121.06474	0.9
121.10163	1.6
123.08087	1.3
123.11710	0.8
128.10722	4.7
129.06992	0.7
131.08566	4.1
132.10214	31.3
133.06490	1.3
133.10143	18.1
135.04497	0.6
135.08083	0.5
137.06013	0.9
142.07794	0.6
147.08028	0.7
147.11696	10.2
149.09619	2.2
149.13275	1.1
151.03920	0.6
151.07614	3.9
151.11192	44.0
154.40923	0.4
156.10190	1.5
163.03922	3.6
165.12781	3.0
175.11200	3.4
192.13843	0.6
193.12285	4.3
222.14917	0.7
238.10945	0.6
260.20120	7.3
260.22665	0.7
278.21182	29.0
292.10382	0.5
306.20627	8.1
324.09940	2.6
324.21722	20.7
325.10840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05502	1.3
56.96577	1.7
67.05490	1.8
69.03409	0.7
69.07065	2.2
71.57526	0.8
72.08141	1.1
79.05058	1.2
79.05493	14.9
80.82922	0.5
81.03452	0.6
81.07056	2.2
81.86525	0.6
83.04975	0.7
84.08149	0.9
85.02937	1.1
85.23141	0.6
86.09702	0.9
89.03959	0.6
91.05486	3.1
93.07044	2.4
95.04984	1.9
95.08599	0.8
97.02948	1.0
98.21273	0.8
98.93150	0.6
98.97573	1.4
103.05469	6.7
105.07035	70.2
107.08602	3.7
109.06537	1.0
109.10206	0.7
112.11225	1.1
117.03384	1.6
119.08569	1.0
121.06509	1.8
133.06496	51.8
135.04414	2.2
135.08060	100.0
145.02872	1.3
145.10410	1.1
151.07553	15.3
157.10388	1.0
163.03918	12.8
164.07150	1.1
165.07388	0.6
167.05234	1.2
192.34007	0.6
211.18506	0.6
250.10721	1.2
279.17801	52.4
280.18225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17139	0.4
53.03956	0.5
58.88971	0.4
69.03410	1.4
70.06564	0.6
70.82946	0.6
71.39247	0.7
71.39589	0.4
73.02898	0.4
81.03423	0.6
84.08149	1.2
85.02906	4.3
97.02892	1.5
98.55421	0.5
98.97599	0.9
106.61132	0.5
117.03394	1.0
118.05037	0.5
124.97860	0.5
127.03932	0.7
129.32742	0.5
130.05055	0.5
135.04395	0.9
137.05980	0.7
145.02757	1.0
145.04947	0.9
145.07625	0.7
147.04401	0.5
157.10947	1.1
157.15974	0.5
159.70724	0.4
162.02977	0.8
163.03885	6.1
163.08659	0.8
177.05478	1.3
185.04234	1.5
310.05295	1.1
325.08948	100.0
326.09201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03935	1.0
55.01872	0.3
57.03437	0.6
61.94612	0.2
69.03434	3.8
69.07056	0.3
69.37082	0.6
69.37484	1.8
71.04996	0.3
73.02879	0.3
79.05484	1.5
81.03422	8.1
81.07046	0.5
85.02908	4.1
89.03920	5.4
91.05472	0.7
93.07040	0.4
97.02889	1.8
99.04471	0.6
100.56724	0.3
103.05443	0.3
107.04942	2.7
107.08585	0.8
109.02902	3.1
112.05589	0.3
117.03389	10.4
119.08566	0.6
127.03909	0.9
131.05002	0.4
133.02858	0.7
135.04420	16.6
135.08046	0.5
137.05963	2.2
145.02850	13.3
148.92529	0.3
151.07538	0.7
163.03911	100.0
164.04272	0.4
175.07581	1.7
177.07111	0.3
181.04924	2.1
186.05333	0.4
201.05528	0.5
201.09088	0.5
205.06508	0.8
224.56664	0.3
233.06012	0.4
237.09056	0.5
240.52376	0.3
249.09134	0.4
250.06345	0.4
264.07901	0.4
265.08612	0.8
279.21143	0.3
292.07263	0.4
293.08041	0.7
293.11261	0.3
297.11136	0.4
307.08020	7.9
325.10184	2.3
325.14362	1.7
325.21625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03932	0.7
56.50105	0.3
57.03418	1.0
58.95190	0.3
63.02378	0.6
69.03438	4.3
71.04967	0.4
71.18996	0.6
71.19332	0.4
79.05486	1.0
81.03412	1.4
85.02899	2.5
89.03921	6.5
97.02895	9.1
99.04441	0.7
101.02425	0.5
107.04958	2.1
117.03386	11.3
127.03904	0.6
135.04425	17.2
145.02855	13.6
163.03914	100.0
164.04185	0.6
170.43762	0.3
181.04968	1.4
244.21266	0.3
307.08008	1.9
325.09241	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	325.092
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03939	0.9
55.01865	0.7
57.03429	0.9
69.03436	4.9
69.07076	0.5
70.55109	1.0
71.01360	0.4
71.04972	0.6
79.05495	1.9
81.03410	2.4
81.07059	1.1
85.02913	2.9
89.03918	5.8
91.05479	1.5
93.07046	0.7
97.02898	7.8
99.04449	1.1
103.05470	0.7
105.07037	0.5
107.04947	2.0
107.08614	2.2
109.02866	1.5
109.06554	0.4
109.10170	0.4
115.05426	0.6
117.03384	9.2
117.07018	0.6
119.04938	0.8
121.06506	0.5
123.04424	0.7
127.03899	1.6
129.07007	0.7
131.04927	0.8
133.02844	4.2
135.04420	14.7
135.08032	2.4
137.06003	4.7
137.91174	0.4
141.07002	0.6
145.02856	13.1
145.03976	0.9
145.04967	1.3
147.04424	1.2
147.08064	0.9
149.06021	0.5
150.06850	0.5
151.07574	0.8
153.06967	0.4
153.09062	0.5
157.73529	0.3
163.03912	100.0
163.07510	2.7
164.04268	0.8
165.05545	0.8
169.06525	0.6
175.03981	0.9
175.07567	3.9
181.05003	2.2
181.08586	0.5
189.09167	0.5
198.56010	0.4
199.09633	0.6
201.05569	1.4
205.06532	0.8
219.08078	0.4
222.06845	0.9
233.06032	1.3
237.09181	0.6
249.05492	0.5
250.06282	0.8
251.07083	0.5
255.06682	0.4
265.08664	1.2
279.06638	0.5
292.07358	0.6
293.07996	1.2
293.11185	0.6
297.11417	0.5
307.07965	2.6
310.08386	0.4
322.08606	0.4
325.09698	5.0
325.14374	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0921
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.01600	0.3
53.03942	1.3
55.01865	0.6
57.03428	1.1
61.02923	0.4
63.02390	0.4
64.54098	0.3
65.03941	0.6
67.05505	0.5
69.03434	4.2
69.07053	0.4
71.04996	0.7
71.53773	0.4
77.03946	0.6
79.05500	2.2
81.03427	2.6
81.07059	0.7
85.02916	2.7
89.03412	0.5
89.03922	6.7
91.05494	4.0
93.07029	0.6
95.04957	0.5
95.08614	0.6
97.02895	8.8
98.97559	0.3
99.04430	0.7
101.02377	0.5
103.05459	1.2
105.03386	1.3
105.07018	0.4
107.04971	2.5
107.08630	2.0
109.02867	1.0
109.06510	0.4
115.05457	0.6
117.03394	10.4
117.07035	0.3
119.04967	2.5
119.08566	0.4
121.06525	1.2
122.03618	0.7
127.03913	1.2
131.04927	1.2
132.05753	0.4
133.01840	0.7
133.02859	13.6
134.03601	0.5
135.04428	18.1
135.08038	1.5
137.05984	8.4
139.03993	0.5
143.04924	0.7
145.02863	15.0
145.04793	0.6
147.04413	1.6
147.08096	1.0
149.06001	3.2
150.06776	2.6
151.07552	2.1
158.03645	0.6
161.06000	0.8
163.03917	100.0
163.07526	4.4
164.04239	0.4
165.05486	1.4
165.06964	0.6
166.30498	0.3
169.06520	0.5
173.05981	0.5
175.03922	3.5
175.07535	2.2
176.06252	0.4
177.05521	0.6
177.07050	0.9
178.07788	0.4
181.04926	2.1
181.08682	0.3
185.05910	0.4
186.03104	0.6
186.06792	1.0
189.07120	0.4
189.09195	0.4
190.07744	0.4
194.07243	0.9
201.05472	5.3
201.09108	0.9
205.06564	2.7
209.09767	0.6
218.07249	0.4
219.08086	0.7
221.05945	0.9
222.06816	1.1
233.05975	2.7
233.09549	0.4
234.06726	0.4
235.07425	0.6
236.08415	1.0
237.09105	1.8
239.07030	0.6
247.07623	0.6
249.05562	1.0
250.06326	1.2
251.07071	0.8
254.09534	0.4
261.05646	0.3
261.09131	0.6
264.07770	0.8
265.08691	2.8
272.91876	0.3
277.05017	0.4
279.10034	0.8
282.09113	0.5
292.07318	1.4
293.08102	3.2
293.11395	0.8
295.06165	0.4
297.11246	1.3
307.08804	1.8
310.08536	0.4
325.10373	7.4
325.14371	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
56.53711	0.3
56.83254	0.3
57.03424	0.6
63.06695	0.3
64.67942	0.3
69.03433	4.1
69.36613	0.4
69.37054	2.3
71.01347	0.5
71.05024	0.7
79.05494	1.1
81.03426	1.7
85.02906	1.9
87.04501	0.3
89.03925	5.3
97.02901	9.3
98.21535	0.6
99.04476	0.7
101.02376	0.4
107.04982	1.9
117.03391	9.3
127.03915	0.8
127.84124	0.3
135.04427	15.7
145.02866	13.0
145.03845	0.4
163.03917	100.0
164.04277	1.0
164.07146	0.4
181.05025	2.3
251.11159	1.2
265.07239	0.4
307.08142	1.8
319.26611	0.3
325.09198	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	325.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
57.03419	0.8
69.03432	3.5
70.82410	0.9
71.01338	0.3
71.04988	0.5
79.05489	1.1
81.03435	1.7
84.07146	0.3
85.02911	1.9
88.18741	0.3
88.36351	0.3
89.03918	5.1
97.02898	9.6
99.04436	0.9
104.19987	0.3
107.04969	2.3
109.02864	0.7
117.03387	7.9
127.03918	0.5
135.04422	15.9
145.02855	12.6
145.03835	0.3
157.70151	0.3
163.03911	100.0
164.04285	0.5
181.04971	2.0
267.41495	0.3
304.83344	0.3
307.08154	1.4
325.09201	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	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01857	0.4
57.03430	1.2
63.02353	0.3
64.22358	0.3
69.03426	5.2
69.61317	0.8
69.61732	1.3
71.01344	0.4
79.05493	1.2
81.03419	3.4
85.02908	2.8
89.03918	5.7
91.05457	0.8
97.02897	8.5
99.04446	1.0
107.04956	1.7
107.08599	0.3
108.46511	0.3
109.02879	1.2
115.73618	0.4
117.03381	9.2
127.03916	1.5
133.02837	1.5
135.04417	15.4
135.08075	0.6
137.05980	1.0
145.02847	13.4
145.03999	0.8
153.64578	0.4
158.60677	0.4
163.03908	100.0
164.04288	0.7
175.07565	0.7
181.04916	2.4
211.59554	0.4
307.08118	3.2
313.21844	0.3
325.09296	5.3
325.14114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1437
Annotation	Glabridin
Peak:m/z	Relative Intensity
52.83578	0.7
53.03945	1.7
55.01874	1.5
56.96576	1.0
60.45576	0.6
65.03930	0.8
67.05505	1.5
68.16893	0.7
69.03441	8.1
69.35999	0.6
69.36316	6.0
71.04994	1.8
72.08150	0.7
75.26521	0.6
77.03949	1.1
79.05505	3.6
81.03415	4.4
81.07072	1.9
85.02901	3.9
89.03915	6.0
90.26165	0.9
91.05497	9.1
93.07058	1.7
94.04179	1.7
95.04981	1.6
97.02907	9.0
98.97601	1.1
99.04475	1.5
103.05496	4.4
105.03415	1.1
105.07053	2.2
107.04993	4.6
107.08582	5.5
109.02879	3.6
109.06503	0.8
109.10171	1.3
115.05469	6.4
117.03384	10.3
117.07014	5.7
119.04953	2.8
119.08578	7.1
121.06503	2.2
121.82784	0.6
122.03648	5.3
122.53653	0.7
127.03961	4.8
128.06194	3.2
129.07024	6.0
129.71039	0.7
131.04929	8.5
132.05725	4.3
133.02864	13.9
133.06494	1.2
135.04427	16.7
135.08051	11.9
137.05994	62.7
138.72951	0.7
141.07016	8.8
145.02867	11.5
145.04980	6.9
145.06494	1.9
146.07323	0.9
147.04436	2.0
147.08058	18.5
149.06001	2.0
150.06770	1.4
151.07571	1.5
153.09109	2.0
157.06503	1.8
160.05203	4.6
161.06013	4.9
163.03925	100.0
163.07565	12.4
164.04285	0.7
165.05548	1.4
169.06508	16.8
173.06094	0.7
175.04034	2.3
175.07565	73.8
177.05502	2.8
179.80634	0.7
181.04999	1.7
181.08614	2.1
186.03119	0.7
186.06821	1.7
187.07607	1.9
188.08315	0.9
189.09128	7.5
193.06433	0.8
199.09663	1.1
201.05458	3.2
201.09148	7.8
203.13722	0.7
205.06500	2.3
205.10257	0.9
218.07344	0.8
219.08157	1.0
221.05902	1.3
222.06790	1.3
227.93086	0.7
233.06026	1.7
233.09673	4.0
235.07623	1.1
237.09125	2.4
249.05527	1.1
250.06314	1.8
251.06912	0.8
258.70779	1.0
261.09058	2.4
265.08630	5.0
265.12122	2.3
292.07379	0.9
293.08041	3.3
293.11646	3.8
295.09573	0.8
297.11151	1.6
307.08328	2.6
310.11804	0.8
325.10428	9.6
325.14316	52.4
326.14862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	Otobain
Peak:m/z	Relative Intensity
53.03926	0.7
55.01868	0.7
63.45108	0.7
63.84946	0.9
68.91334	0.7
69.03421	1.5
69.85567	3.5
74.00295	0.7
74.68103	0.6
79.05486	1.6
81.03405	2.3
85.02896	1.0
87.04508	0.8
89.03919	2.4
91.05492	8.1
94.04180	1.5
97.02888	1.8
98.20770	1.3
103.05453	6.6
104.06234	1.4
105.07055	1.5
107.04939	2.8
109.02867	1.1
115.05467	6.9
117.03367	3.6
117.07014	7.0
119.08595	5.7
122.03664	4.2
122.46957	0.7
128.06223	2.3
129.07005	8.3
131.04941	12.1
132.05734	6.2
133.02837	1.0
135.04427	6.7
135.08049	1.3
137.05988	73.1
141.07008	12.0
144.05710	0.8
145.02869	5.7
145.05054	1.1
145.06502	2.7
146.07263	0.8
147.08052	22.5
151.07561	2.6
157.06516	2.2
158.07327	1.1
160.05193	4.5
161.05971	4.5
162.06444	0.9
163.03922	41.4
163.07564	16.9
165.07353	0.7
169.06502	20.5
174.06795	1.1
175.07559	100.0
181.04843	1.1
186.06773	2.0
187.07549	2.6
188.08339	1.5
189.09135	9.8
190.07755	1.1
201.09117	10.3
205.10167	1.9
233.09625	4.9
251.11000	1.6
261.09180	3.7
265.12250	3.2
278.09430	0.9
293.11621	4.1
295.09512	1.2
307.08209	2.5
325.14359	74.6
326.14627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1436
Annotation	Licarin B
Peak:m/z	Relative Intensity
52.94813	0.5
53.03918	0.5
54.05192	0.5
55.01868	1.0
55.05488	1.0
57.03420	1.3
61.02911	0.7
65.81026	0.5
67.05485	0.7
69.03429	3.9
69.49539	4.3
70.06577	1.0
73.86601	0.6
79.05479	1.7
81.03446	3.0
81.07022	0.9
83.04966	1.3
84.08144	1.8
85.02912	5.1
89.03901	2.2
91.05487	3.8
94.04176	1.1
95.04980	1.6
97.02901	3.2
98.20801	1.4
98.97549	0.7
99.04430	1.0
103.05466	6.0
105.07006	1.2
107.04980	1.4
109.02891	1.1
109.06502	1.3
109.10131	0.8
111.04455	1.4
115.05467	4.0
116.06310	0.5
117.03399	4.2
117.07018	2.1
117.09119	1.6
119.04919	1.9
119.08554	0.8
120.89465	0.6
122.03624	3.3
123.04430	1.7
127.03924	2.0
127.07613	0.8
127.11107	0.6
128.06230	0.9
129.07004	1.0
131.04926	11.2
133.02841	2.4
133.06508	0.9
135.04414	7.2
137.05986	51.5
141.07002	2.4
143.04903	2.3
144.05736	1.1
145.02827	6.5
145.04941	1.6
145.06479	2.5
147.04410	0.9
147.08044	2.1
149.05971	0.7
151.03902	1.1
151.07552	15.1
155.05998	0.7
157.06436	0.9
159.08089	1.1
160.05211	2.1
161.05968	1.6
161.22446	0.7
163.03914	42.8
163.07547	12.2
163.08810	1.2
165.05521	0.7
167.07010	1.5
169.06413	3.4
171.08044	0.7
173.05971	2.7
175.07578	17.0
177.05489	1.1
181.04968	0.8
181.06389	0.7
186.06764	0.9
187.07562	2.0
190.06218	1.2
190.07802	1.4
191.06885	0.8
192.07921	1.4
193.08485	0.9
197.05992	1.4
199.07523	1.1
201.05498	1.1
201.09064	4.5
203.08719	0.9
204.09384	0.6
205.06807	0.9
205.08463	3.4
205.10165	2.5
207.08293	1.2
207.10188	1.8
211.07542	3.2
212.04738	0.7
217.08669	0.9
218.07344	1.9
219.10194	1.2
221.06038	1.3
222.14668	0.9
225.05566	4.1
227.07082	5.2
229.08705	0.6
232.08832	0.9
233.06094	0.9
233.09796	5.7
235.09698	5.8
237.09062	1.8
239.07077	2.6
240.07816	17.2
241.08713	0.9
247.07480	0.8
247.09740	1.2
249.05415	1.3
250.06267	1.0
250.09949	1.8
251.10747	1.0
253.05035	7.8
253.08543	0.9
254.06465	0.8
254.09384	15.6
255.06619	3.5
255.10353	0.8
259.06165	2.5
259.09616	1.8
261.09082	2.5
261.11514	1.0
264.07800	0.7
265.08459	1.7
265.10474	0.6
265.12186	3.5
266.09167	0.8
267.06570	0.8
268.07327	27.0
269.08109	1.2
270.08868	7.6
271.09561	0.8
278.09354	1.4
279.10117	1.2
282.08878	9.4
283.09668	100.0
284.10074	1.4
289.10840	2.1
293.08661	0.7
293.11737	16.6
294.12512	3.4
295.09677	1.5
297.11227	52.3
298.11417	0.9
307.08466	2.0
307.12216	2.3
310.12006	2.0
325.10477	3.5
325.14349	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33970	0.7
50.34245	0.8
51.02386	0.6
53.03944	1.3
55.01853	0.9
55.05270	0.7
55.05513	10.1
56.96561	2.1
57.03431	1.0
60.05645	4.4
61.02914	0.8
63.02396	0.6
65.74493	0.6
67.05494	0.7
69.03452	3.8
69.07033	0.7
69.96424	0.7
70.06600	5.0
70.10071	2.8
72.08164	11.8
73.02921	1.1
79.05489	0.7
81.03420	1.8
81.07076	1.1
83.05009	0.8
84.04498	2.2
84.08144	5.1
85.02917	13.2
85.06538	0.8
89.03906	3.1
91.05480	1.4
93.07027	0.8
95.04943	0.7
97.02907	6.4
97.07669	6.5
98.06066	32.5
98.21410	0.9
98.97594	3.2
99.04502	1.3
102.05540	1.2
103.05455	1.6
105.07021	1.5
107.04964	1.4
109.02897	2.5
110.97538	0.7
111.04439	1.3
111.05527	1.0
113.10771	1.8
114.09194	4.7
114.10299	17.9
115.07958	1.2
115.08704	14.8
116.07039	0.8
116.98617	1.5
117.03388	8.1
117.06996	1.1
119.04932	1.3
120.08122	0.9
121.06467	1.2
121.08892	1.3
123.04432	1.8
127.03915	2.8
128.98601	0.8
130.05016	11.9
130.08679	1.5
131.04939	1.6
131.12947	3.0
133.02847	1.2
133.06453	0.9
134.67079	0.7
135.04405	5.3
136.07584	0.8
137.05992	2.7
140.08232	0.9
145.02852	40.0
145.04942	2.8
145.06479	1.4
145.07607	2.2
146.05966	1.6
147.04411	1.7
149.05991	3.7
151.03937	1.1
151.07529	4.2
152.07104	1.0
156.11282	1.5
157.10864	69.9
158.99651	1.3
160.05174	0.7
161.01289	0.7
161.06000	1.5
163.03926	21.0
163.07520	1.0
163.08739	1.0
165.05515	0.9
167.07034	0.9
173.05975	0.8
173.13956	4.2
175.07562	1.3
177.05486	95.3
178.08652	4.1
186.05669	0.9
187.07578	0.8
194.10364	0.9
196.07941	1.5
196.09695	12.4
205.08540	0.7
206.11829	0.7
207.10275	1.0
210.11250	2.1
219.02010	1.1
219.50256	0.7
222.11192	0.7
235.09683	1.4
236.10341	1.8
237.02760	1.2
246.05637	0.8
247.14496	4.4
248.12743	3.3
259.06158	1.0
265.15472	0.8
289.07312	0.8
290.14963	9.4
292.04190	0.7
307.08096	1.3
307.17670	30.8
308.18054	0.6
325.09027	12.9
325.14584	5.5
325.18729	100.0
326.12149	7.4
326.18784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.05514	9.2
56.96568	9.7
57.03444	4.5
57.07092	4.1
59.05018	1.0
65.03951	1.4
66.19961	0.8
67.05509	38.9
69.03445	4.9
69.07069	8.8
69.58379	2.0
69.58792	3.7
70.06570	1.0
71.04993	2.9
72.08142	2.0
74.04671	0.7
75.04494	1.0
79.05501	26.7
79.57640	0.9
81.03424	2.2
81.07061	46.9
83.04990	2.1
83.08619	4.5
84.08159	1.2
85.02914	3.0
85.06542	3.1
89.03921	5.4
91.05480	15.4
91.06030	0.7
93.07050	34.2
95.04988	2.0
95.08612	48.7
97.02908	10.4
97.06532	2.9
97.10176	2.3
98.21244	3.0
99.04461	1.6
99.08067	1.5
103.05503	1.0
103.66451	0.7
105.07048	13.5
107.04962	4.1
107.08601	24.6
109.06538	2.5
109.10166	22.3
109.10912	1.4
111.08086	2.8
112.11259	1.7
113.09644	1.2
116.98631	0.9
117.03398	9.1
117.07027	5.9
119.08588	11.6
121.06534	4.3
121.10151	26.9
123.08049	1.5
123.11720	11.3
125.09617	2.7
127.03941	1.3
131.08574	13.3
133.10123	14.2
133.11058	1.1
135.04436	16.1
135.08083	9.2
135.11710	22.3
136.08392	5.4
136.93098	1.0
137.05939	1.1
137.09644	2.7
137.13300	1.8
139.11188	1.9
143.08586	1.3
145.02859	14.1
145.10129	13.4
147.11687	5.2
149.01190	1.2
149.02303	2.0
149.09557	1.2
149.13277	8.1
151.11174	3.5
154.94154	0.9
159.11717	10.3
161.13229	1.6
163.03915	100.0
163.11214	1.4
163.14894	1.0
164.04240	1.5
172.95299	1.7
173.13257	6.6
175.14828	0.9
181.04964	1.8
187.14847	2.0
189.16368	2.1
193.05003	3.0
205.19560	3.5
215.17969	24.6
233.19016	40.0
235.20631	1.2
251.19969	1.2
282.70044	1.0
284.67142	1.0
293.67545	2.4
301.19720	0.8
301.67258	1.7
302.17264	1.2
302.68039	7.4
305.18137	1.3
307.08185	2.0
307.22696	9.3
313.17444	1.0
314.18692	3.3
324.66925	1.3
325.09189	5.8
325.14618	1.1
325.18109	1.3
325.23410	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	326.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29475	0.5
55.01890	0.6
59.05061	0.7
59.59449	0.6
64.73546	0.6
68.08106	0.6
68.61101	0.5
69.40394	4.3
70.06621	0.6
71.04997	0.6
73.48930	0.5
74.15991	0.5
79.05514	0.8
81.03482	0.8
83.11775	0.5
85.02947	1.4
91.05531	0.9
93.03429	0.7
95.05017	0.7
97.02928	1.3
98.21463	1.0
98.98472	7.5
98.99022	0.6
103.05507	0.9
104.05001	6.9
104.05656	0.7
106.06546	0.5
117.03424	0.9
118.03687	0.7
118.90986	0.6
121.02921	0.9
121.06566	1.3
121.64549	0.6
122.06021	4.0
130.06609	1.5
131.04938	1.1
132.04472	7.0
134.05965	0.8
135.04463	1.3
136.04778	1.5
137.05972	3.1
138.06363	2.3
145.02907	0.6
146.03265	1.4
147.04469	1.2
149.02353	4.8
150.05518	7.0
156.04405	1.3
158.06009	1.2
160.03906	1.2
163.03897	5.4
164.04248	7.9
174.05518	21.3
174.99223	0.8
175.06310	2.4
176.07962	1.0
178.05016	9.9
192.06567	3.0
202.05009	54.8
206.04581	1.0
217.07390	1.6
222.07578	1.0
230.04504	19.7
234.07626	100.0
235.07944	0.9
236.05507	0.9
238.07237	0.6
240.07845	0.6
241.08141	1.2
249.06387	0.5
252.08620	1.3
254.09595	0.5
255.09869	0.9
262.07129	50.8
268.07394	0.8
269.07620	1.4
271.09467	0.6
283.09537	2.0
284.10031	8.7
294.09726	62.8
298.11554	3.9
326.12268	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
56.96557	0.3
57.03437	0.4
61.02899	0.2
69.03422	0.6
70.06593	0.3
70.13220	0.6
70.13603	0.4
70.77172	0.2
71.04991	0.4
71.06120	0.4
71.16847	0.1
71.74517	0.2
73.02902	0.2
76.45377	0.2
81.07059	0.4
85.02907	0.9
88.02202	0.2
93.07042	0.4
95.04971	0.4
96.05675	0.2
97.02886	0.5
98.21066	0.4
98.97579	0.7
98.98470	6.9
102.01793	0.2
103.05487	0.3
107.04935	0.3
107.08588	0.2
110.07056	0.2
116.98689	0.2
116.99500	0.2
117.03409	0.2
121.06519	1.9
121.10131	0.2
124.05088	5.6
127.03923	0.3
129.05400	0.2
132.01115	0.2
135.04427	0.3
135.38826	0.2
136.04697	0.2
136.06232	0.2
136.07487	0.2
142.06149	0.9
145.02943	0.2
147.04404	0.2
149.04599	3.2
151.09799	0.5
158.99593	0.2
163.03925	1.5
164.04271	1.6
167.05688	2.6
174.05838	0.2
174.99260	0.7
176.09358	0.3
177.00705	0.2
179.04660	0.3
179.08022	0.6
186.05879	0.3
194.10387	100.0
195.10632	0.5
196.09779	0.2
199.64905	0.2
219.01715	0.3
234.07613	0.3
247.11792	0.3
252.08833	0.3
272.13144	0.7
280.11627	0.2
282.09659	0.2
290.12784	0.2
294.09695	0.2
326.08936	0.8
326.15128	1.5
339.07602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
53.64173	0.8
55.05503	3.3
57.07053	1.1
58.99580	2.4
59.05000	1.2
67.05505	3.6
69.03419	3.1
69.07059	3.0
70.02934	1.1
70.06584	1.2
70.70872	1.9
70.71188	0.8
71.04997	12.2
72.05230	0.7
73.05324	0.7
74.00661	2.3
79.05491	4.7
81.07057	13.9
83.04980	3.2
85.02912	2.3
85.06557	1.7
86.00658	6.3
86.99036	1.4
87.02692	2.5
88.02223	11.3
88.03992	7.2
90.39557	0.8
91.05468	2.2
93.07047	3.7
95.04984	4.1
95.08606	2.1
95.83134	0.8
96.08151	0.8
97.01106	1.8
97.02898	0.8
97.06516	3.3
98.97598	1.2
98.98483	6.3
99.02682	3.3
99.08096	7.7
102.03775	1.3
103.02148	0.9
105.00121	0.9
105.07015	3.4
107.08602	7.7
109.06532	4.5
109.10154	10.9
111.02663	5.8
113.04230	4.6
114.03710	1.2
115.02183	6.0
118.97687	0.8
121.06482	1.3
121.10146	3.8
122.02702	3.0
123.08033	1.3
123.11694	9.1
125.09628	2.9
127.02087	1.0
127.11185	1.9
128.05304	9.8
129.03757	1.6
131.08627	1.1
132.01157	10.8
133.10138	4.5
134.02748	4.3
137.05991	2.2
139.05746	1.0
139.11189	1.4
140.05313	9.6
141.03688	9.0
143.10703	1.3
151.09969	1.3
151.11172	18.4
153.12767	1.5
165.07335	1.3
169.12247	13.4
172.04433	0.8
173.09958	1.3
174.05841	12.7
183.08392	4.3
186.05849	22.7
187.04253	11.9
194.10388	0.9
200.07431	2.0
201.09445	8.0
209.09935	1.2
226.12560	7.2
227.11003	3.3
236.09317	0.8
254.12125	5.1
255.10489	2.3
272.13156	100.0
273.11484	6.4
290.14227	29.3
290.16666	0.7
290.17508	1.1
304.80554	1.0
308.15152	3.8
315.41846	0.9
325.18839	0.8
326.12567	1.6
326.16284	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	326.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05517	4.9
55.76197	0.9
56.96563	0.6
57.03428	0.9
58.99581	2.7
59.10500	0.6
61.02945	1.0
67.05512	2.8
69.03439	3.7
69.07060	1.9
70.06562	1.1
70.97749	1.6
71.04996	10.2
74.00650	2.5
75.02711	0.9
79.05510	5.9
81.06586	0.8
81.07063	14.3
83.04976	3.4
85.01127	0.8
85.02910	2.3
85.06532	0.8
86.00658	6.1
86.99046	1.2
87.02694	1.9
87.72213	0.7
88.02231	12.4
88.03998	6.2
91.05485	1.5
93.07037	2.8
94.60544	0.9
95.04995	3.8
95.08609	2.4
96.08125	0.9
97.01097	1.7
97.02879	1.3
97.06525	2.8
98.97576	3.2
98.98486	4.2
99.02685	2.4
99.08096	7.1
101.00881	1.2
102.03773	0.9
105.07021	3.2
107.04975	1.3
107.08600	6.9
109.06532	3.7
109.09448	1.0
109.10167	12.0
111.02020	0.7
111.02682	4.9
111.08103	1.5
113.04253	3.6
114.03741	1.1
115.02158	6.9
119.01880	1.1
121.06493	4.2
121.10152	4.2
122.02690	2.7
123.08115	0.8
123.11707	10.0
125.09625	2.8
127.05782	0.7
127.11205	2.2
128.05313	10.2
129.03700	2.5
132.01166	10.6
132.99544	1.1
133.10126	3.9
134.02742	4.0
137.06000	0.7
139.05788	0.9
139.11168	2.6
140.05296	9.5
141.03705	9.2
143.01938	0.9
143.10648	1.0
146.02802	0.8
149.09566	1.4
151.11194	15.5
152.05708	0.8
153.12767	1.2
155.08971	1.2
157.03535	1.0
165.07301	1.8
167.03717	0.9
169.12260	12.8
170.04152	1.0
173.02881	0.9
173.09996	1.7
174.05859	11.2
174.99252	1.1
175.04308	1.4
183.08415	3.4
186.05862	21.4
187.04256	9.9
194.04152	0.8
200.07503	1.3
201.09422	8.0
207.05028	0.7
209.09961	1.1
212.05173	2.2
219.10481	0.7
223.06526	1.9
224.06786	1.6
226.12662	6.0
227.11031	2.9
236.06215	0.8
244.13744	1.0
254.12036	4.7
255.10579	2.9
265.07605	1.1
266.07977	1.2
272.13165	100.0
273.11398	4.5
290.14224	29.5
308.15302	2.0
326.12653	1.4
326.16367	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	326.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15382	2.0
55.01873	14.2
55.05501	11.2
57.03441	3.6
66.15373	1.8
67.05508	42.3
68.67198	1.9
69.03450	3.8
69.07073	16.7
69.65337	9.1
71.05000	9.3
79.05493	16.9
81.03406	2.1
81.07059	49.4
83.05004	10.1
83.08618	5.0
85.06548	7.9
87.56513	2.0
91.05484	30.2
93.07050	24.1
95.04953	6.5
95.08631	10.2
97.06553	4.4
98.98472	100.0
99.04446	5.4
105.07035	41.2
107.04951	3.0
107.08599	44.7
109.06530	7.0
109.10162	87.7
113.06023	4.9
117.07005	3.4
119.08594	5.1
121.10168	4.9
123.11704	11.8
127.07570	3.6
131.08582	7.0
133.10138	98.3
135.08104	3.9
135.11623	4.5
136.04797	2.7
137.70302	1.9
145.10117	3.7
149.13284	2.7
151.11191	84.3
154.94182	3.3
159.11671	2.6
161.09599	4.7
163.03879	5.8
164.04257	11.2
169.12239	22.7
172.95255	4.3
174.99278	9.7
179.10716	4.9
197.11639	3.0
205.08044	2.1
215.12697	9.9
228.97935	2.6
245.18987	3.8
251.00084	4.1
255.17537	3.0
263.20059	4.3
273.18546	11.8
290.22208	2.5
291.19516	19.2
326.13470	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2329
Annotation	Tumonoic acid E
Peak:m/z	Relative Intensity
52.24831	0.6
55.05516	1.8
56.96563	0.6
57.07077	1.1
67.05508	4.2
69.03432	1.6
69.07070	8.9
69.70806	2.6
70.08509	0.5
79.05499	8.6
81.07063	7.9
83.04987	7.1
83.08622	0.5
86.09711	100.0
91.05490	7.4
93.07053	17.3
95.04979	1.8
95.08602	4.3
97.06554	2.6
98.21502	0.6
98.98473	9.6
105.07035	5.1
107.04958	1.1
107.08601	9.5
109.06525	1.8
109.10140	0.7
111.08059	0.9
115.04560	0.5
115.05464	0.6
117.05464	0.6
117.07027	3.7
119.08588	2.0
121.06512	1.5
121.10161	2.6
123.08073	2.0
128.10713	4.7
131.08554	4.1
132.10216	52.1
133.10138	11.0
135.08040	2.0
135.11708	10.9
149.09592	0.7
149.13272	7.0
151.11145	3.0
151.14818	0.7
153.12738	3.4
156.10208	0.6
159.11710	4.0
163.03915	1.6
164.04263	3.0
164.73024	0.5
174.99237	1.2
177.12753	9.8
192.13811	0.7
195.13806	2.7
210.07660	0.7
236.10759	0.5
252.08739	1.6
253.16748	0.5
262.21631	6.7
280.22736	4.8
308.22235	11.2
309.17383	1.0
326.23282	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	326.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
53.11872	0.5
55.01889	0.6
55.05515	2.0
56.96562	0.9
57.07066	2.1
58.06593	0.6
58.13339	0.6
61.79982	0.6
62.25756	0.5
67.05511	6.1
67.84192	0.6
69.03429	0.9
69.07072	10.3
71.04998	1.0
71.57881	0.7
72.08138	0.5
74.02448	0.6
77.03929	0.7
79.05499	18.7
81.07069	13.5
83.04974	2.4
83.08640	0.7
85.02902	0.8
86.09711	100.0
86.15929	0.5
89.03919	0.8
91.05495	8.8
93.07050	33.4
95.04992	1.7
95.08611	7.3
97.02893	1.8
97.06537	2.5
98.03245	0.9
98.98475	33.3
100.02485	1.8
105.07037	5.0
107.04946	1.6
107.08601	18.1
107.09295	1.2
109.06525	1.9
109.10186	2.6
111.08147	0.7
112.11285	0.8
117.03379	1.1
117.07039	3.0
118.03656	1.8
119.08575	3.0
119.10000	0.6
121.06518	6.2
121.10147	3.6
122.06841	0.9
123.08077	1.4
123.11742	0.9
125.05988	1.0
128.10725	2.2
131.08557	3.5
132.10216	53.2
133.10141	10.6
135.04428	1.9
135.08080	2.3
135.11699	18.1
136.04793	1.6
137.05981	4.9
138.06369	1.6
140.01054	0.7
145.02855	1.7
145.10141	1.4
146.03195	1.8
149.13280	16.6
151.07578	2.7
151.11203	4.1
151.14828	2.6
153.12779	3.1
156.10225	0.7
159.11716	2.6
162.74152	0.6
163.03908	10.4
164.04260	13.7
169.12273	0.7
173.13321	0.8
174.99255	5.3
177.12758	13.2
178.26324	0.7
189.09094	0.8
192.13887	1.3
195.13904	1.0
202.09396	0.9
208.16930	1.0
234.09944	1.4
236.08035	0.7
237.02895	0.7
242.16760	0.9
246.15675	0.9
246.24506	0.7
251.00061	0.8
252.10947	0.9
254.17535	6.2
262.09521	1.6
262.21677	17.5
263.10281	0.9
263.73721	0.7
264.07397	0.6
265.08188	0.8
266.10190	0.8
268.10474	0.8
279.09857	1.0
280.10590	1.4
280.22787	2.5
290.21246	0.9
294.12253	1.8
295.12946	2.0
296.10110	1.1
297.09903	0.6
308.22217	40.9
311.12427	2.1
314.19601	1.0
326.09995	1.0
326.14731	8.6
326.23337	9.1
327.19385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1077
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
58.33532	0.5
65.03957	1.6
67.05492	0.6
68.85681	0.6
69.03429	1.1
71.03963	1.2
71.04298	0.8
79.05506	0.7
81.07059	0.9
82.06563	1.2
85.02895	1.3
87.89087	0.6
91.05496	13.2
93.07059	0.9
93.49339	0.6
95.22923	0.6
98.98479	59.9
99.04456	0.8
107.04999	0.5
110.17751	0.6
116.99548	1.1
119.04958	28.5
121.06505	1.0
123.04439	1.0
128.07111	0.9
137.06007	0.9
147.04427	100.0
151.03923	0.6
163.03947	0.7
164.04247	1.1
165.05498	46.3
174.99234	9.9
175.74525	0.6
177.86929	0.6
190.94002	0.7
200.63237	0.6
251.00070	2.0
309.15366	1.6
327.16281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1593
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.01874	0.9
67.05505	0.5
70.87870	0.7
79.05501	2.4
81.07066	0.9
91.05489	3.6
93.07040	0.6
94.04179	1.7
95.04996	0.7
98.98473	6.7
103.05473	16.8
103.90923	0.3
105.07038	7.9
107.04964	3.4
109.06512	2.4
115.05455	1.6
117.07046	1.6
119.04942	1.3
120.05744	0.7
121.06519	6.3
121.83459	0.3
122.03660	7.0
123.04429	0.4
123.08091	1.2
128.06264	0.8
129.06982	0.6
131.04936	19.4
133.06499	32.3
135.08061	10.7
136.05203	1.2
137.05984	100.0
138.06323	0.7
143.04906	0.8
143.08603	0.6
144.05722	0.7
145.06503	6.9
147.04434	0.9
147.08037	1.8
149.05988	2.1
151.07558	11.8
155.06059	0.4
157.06500	3.0
160.05217	0.7
162.06747	0.8
163.07552	53.1
164.07950	0.4
165.07021	0.4
165.09106	0.5
171.08032	1.6
173.05927	0.3
174.06886	0.4
174.99243	0.8
175.07573	3.4
177.09093	1.3
187.07542	1.5
188.08316	0.6
189.09119	2.1
195.08015	0.3
200.90550	0.3
202.07851	0.3
203.10722	1.9
205.10344	0.3
207.08015	0.7
207.11693	0.5
217.10088	0.8
219.08215	0.4
220.08902	0.8
233.09563	0.3
233.45293	0.3
235.11197	2.0
245.09644	1.2
247.07480	0.3
249.09235	0.4
250.99918	0.3
263.10696	4.2
295.09811	0.7
295.13278	14.4
327.12433	0.8
327.15912	12.4
327.19891	0.5
328.16147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02375	1.2
53.03952	3.7
53.91734	0.4
55.01872	0.6
55.05513	2.1
57.07065	0.8
65.03952	0.4
67.05511	3.5
68.82320	0.4
69.03434	0.5
69.07077	2.1
69.34553	0.4
69.39415	0.8
69.39818	2.7
71.05008	0.5
71.08618	0.4
77.01581	0.5
77.03947	1.1
79.05503	3.3
81.03424	0.9
81.07059	4.2
83.08637	1.5
85.06559	0.6
91.05489	4.7
93.07052	7.9
95.04972	10.1
95.08614	6.4
97.06537	1.8
98.98473	100.0
103.05479	0.8
105.04524	1.2
105.07037	8.8
105.37396	0.4
107.04969	0.7
107.08607	6.7
109.06506	1.4
109.10181	2.5
116.99510	1.8
117.07041	1.9
119.08595	5.5
121.06505	1.4
121.10152	2.7
122.07269	0.7
123.08054	1.1
123.11726	1.0
127.97073	0.5
129.07053	0.9
131.08592	2.9
133.06494	1.5
133.10143	4.7
134.07295	1.0
135.08061	14.3
135.11729	1.3
137.09647	1.9
140.01086	1.2
141.07060	0.6
142.07738	1.0
143.08553	2.3
144.09293	0.8
145.06479	0.5
145.10114	4.1
147.11676	1.4
147.89923	0.4
149.09618	0.5
151.07565	0.7
151.11234	0.5
152.06224	7.5
153.07005	6.6
155.08614	0.7
156.09380	0.7
157.10156	3.9
159.08084	0.8
159.11708	4.3
161.09642	1.7
161.13237	0.9
165.03731	1.5
165.09123	10.2
167.05357	0.4
168.05692	2.6
169.06490	0.8
169.10153	1.1
170.10919	0.5
171.08107	0.9
171.11697	1.7
173.13268	1.5
174.99243	13.6
175.01520	0.7
175.14844	2.1
182.10985	0.7
183.11700	0.8
185.13297	0.7
187.11162	0.4
187.14842	1.3
197.13252	1.5
199.14864	0.6
201.16438	0.6
209.13251	1.0
211.14851	0.8
213.16443	0.5
215.02521	1.7
217.15849	0.4
223.14850	0.7
228.09412	2.2
229.10146	1.4
232.96422	0.7
233.03609	9.4
239.18303	0.5
251.00073	2.8
251.04710	3.9
277.16180	1.6
295.17255	3.3
309.07489	0.4
309.22266	1.0
327.07819	35.1
327.23056	2.7
328.08145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.7
55.01874	0.7
55.05519	3.2
57.03429	0.4
57.07077	2.3
59.05000	0.8
61.78842	0.4
65.03946	0.6
67.05509	4.2
69.03437	1.1
69.07075	12.6
69.63914	2.4
69.88712	0.4
70.98196	0.4
71.05010	0.6
71.08594	0.4
73.06570	0.7
77.01599	0.8
77.66784	0.4
79.05508	2.0
81.03429	0.6
81.06583	0.8
81.07064	17.2
83.08633	3.0
85.06556	2.1
91.05482	3.4
93.07043	6.2
95.04983	1.0
95.08620	9.5
95.09228	0.5
97.06512	1.0
97.10174	0.9
98.98475	100.0
99.08111	0.6
103.05483	1.3
105.07033	2.2
107.04968	0.6
107.08614	4.5
109.06530	0.7
109.10163	5.7
111.08084	1.6
111.11725	3.6
116.99556	0.8
117.07056	0.4
119.04923	0.7
119.08582	1.5
121.06516	12.0
121.10156	1.6
122.03651	0.8
123.08098	1.2
123.11719	19.8
125.06068	0.7
125.13298	0.5
127.03951	0.7
127.11229	0.6
129.06995	0.5
131.04938	1.2
131.08594	0.5
133.10126	0.5
135.11737	3.2
137.04887	0.8
137.05984	13.0
137.09634	1.0
137.13269	1.5
138.05505	1.4
140.01093	0.6
147.08119	0.8
147.11749	0.6
149.13304	2.2
151.03973	2.4
151.05028	0.7
151.07564	0.7
151.14864	0.6
153.05490	0.4
153.12766	5.9
155.08647	0.4
155.14340	0.6
160.05231	0.5
163.03983	0.9
163.07576	1.1
163.14822	0.5
165.06946	0.5
165.09158	1.5
165.12787	0.6
166.05013	35.2
171.13872	0.8
173.62968	0.4
174.99245	15.8
175.07570	1.0
177.09149	2.3
179.08630	0.6
185.13254	0.4
187.07588	0.5
189.07031	0.7
193.00487	0.4
195.78479	0.4
203.07056	0.9
203.10646	0.5
207.08105	1.5
208.06091	8.4
219.07968	0.4
221.06047	0.4
224.08418	0.4
225.09055	0.5
232.96584	0.7
234.06839	1.3
235.07544	1.5
249.09148	1.8
251.00020	2.9
251.07028	0.5
252.07884	0.6
262.06464	0.4
265.08563	0.8
267.10226	1.5
268.07523	0.6
277.08585	3.4
279.26990	0.7
281.08267	0.4
281.22778	0.5
283.09705	2.2
286.10815	3.0
291.26959	1.1
295.09641	1.4
297.27945	1.1
299.12827	1.4
309.11160	1.2
309.27762	2.1
327.08505	0.9
327.12305	6.2
327.15662	1.0
327.19577	0.6
327.23151	1.2
327.29160	0.6
328.07999	0.6
328.11838	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	328.118
Annotation	Penicidone A
Peak:m/z	Relative Intensity
50.01586	0.3
51.02391	0.2
53.03944	0.6
56.96567	0.3
57.46759	0.2
57.87667	0.2
65.03940	0.5
67.05510	0.2
69.07078	0.2
69.72622	0.8
77.03916	0.3
77.17056	0.1
81.03424	0.2
81.07060	0.4
91.05482	9.0
93.07056	1.3
95.04973	24.1
95.08600	0.2
98.21221	0.4
98.98473	6.9
98.99121	0.3
103.05473	3.0
104.05017	0.3
105.04524	0.7
105.05807	0.5
105.07069	0.2
107.04980	0.4
109.06527	1.5
119.04949	39.2
120.05193	0.2
120.08125	0.2
121.05649	0.2
121.06514	4.3
122.06061	0.9
123.04433	62.7
124.04821	0.2
132.04279	0.2
134.06010	0.5
137.06010	1.1
138.05571	0.2
143.08134	0.3
147.04416	23.4
163.04022	0.2
164.07072	100.0
165.05481	26.8
165.07182	0.3
165.07701	0.4
166.04971	3.3
170.11714	0.2
172.94392	0.3
174.99210	0.8
175.99640	0.2
190.95358	0.2
201.00227	0.2
208.06087	1.2
208.09746	0.4
209.10500	0.6
222.07492	0.2
232.96384	0.2
260.23810	0.1
286.10754	0.3
328.11789	48.9
329.12128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1181
Annotation	Penicidone A
Peak:m/z	Relative Intensity
51.02377	0.4
53.03942	0.8
55.01883	0.4
60.63931	0.3
60.74169	0.3
61.62053	0.3
65.03949	0.6
71.57607	0.3
74.52560	0.3
74.86974	0.3
77.03932	0.4
81.07072	0.5
91.05487	7.8
93.07047	1.3
95.04975	23.0
96.53407	0.3
98.48810	0.3
98.98476	8.4
98.99118	0.4
103.05461	3.0
105.04499	0.6
105.05839	0.3
107.04957	0.5
109.06553	1.5
110.06042	0.3
119.04954	40.3
121.06514	2.8
122.06030	1.1
123.04438	64.4
124.04836	0.3
126.35726	0.3
134.06006	0.4
136.28111	0.3
137.05997	1.1
147.04422	22.1
148.98051	0.3
164.07080	100.0
165.05492	24.0
165.07513	0.5
166.04968	0.5
167.32408	0.3
172.94405	0.7
174.99217	0.8
190.95378	0.4
195.61362	0.3
231.84802	0.3
232.96466	0.4
250.97498	0.3
317.14383	0.4
320.33386	0.3
328.11819	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.68115	0.1
56.96559	0.3
62.06083	0.1
67.05498	0.3
69.44843	0.9
77.03924	0.3
79.05466	0.1
81.03434	0.1
81.07070	0.1
91.05485	3.9
92.05025	0.4
92.86046	0.1
93.05794	0.4
93.07052	6.2
94.06575	0.3
94.07354	0.1
95.04979	1.4
95.08595	0.1
97.96823	0.1
98.97556	0.2
98.98475	2.9
103.04787	0.2
103.05473	4.8
105.04515	0.4
109.06590	0.1
119.04917	0.3
119.70844	0.1
120.04463	1.2
121.06512	59.0
122.06031	0.3
122.06842	0.2
123.04430	0.6
125.85600	0.1
137.04735	2.2
138.05507	4.7
147.04393	0.2
148.03926	1.3
164.07106	0.5
165.05559	0.2
166.05005	100.0
167.05327	0.6
172.94380	0.2
174.99263	0.3
176.99025	0.2
180.06564	0.3
190.95430	0.2
207.04967	0.2
208.06061	24.8
209.06427	0.1
211.03093	0.1
232.96497	0.3
286.10745	9.0
328.11810	30.3
329.12015	0.2
338.50845	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.1
56.96564	5.3
57.03430	2.5
60.12458	0.9
61.04215	1.0
67.05502	20.0
69.03415	1.1
69.07076	6.7
69.36852	0.9
70.03629	0.9
70.15999	4.5
71.04989	2.4
79.05495	24.8
80.07398	0.9
81.03413	1.8
81.07057	16.2
83.04980	1.1
83.08617	8.2
85.06540	1.4
91.05483	11.4
93.07050	17.6
95.04974	3.9
95.08614	12.5
97.06528	2.4
97.10160	7.3
97.58971	1.0
98.98468	100.0
103.05462	1.8
105.07027	10.9
107.04971	1.2
107.08616	11.8
109.06512	1.5
109.10165	12.8
111.08086	1.9
116.98664	1.2
116.99503	2.8
117.07048	2.6
119.08596	8.4
121.06497	3.2
121.10152	13.4
123.08019	1.4
123.11665	2.2
125.09624	6.2
129.07014	1.3
130.93318	2.8
131.08560	2.3
133.10143	5.8
135.11684	2.4
137.05919	1.1
137.09628	4.6
138.06419	1.0
140.01135	1.4
145.10126	4.1
147.11694	4.5
149.09633	2.0
149.13287	1.4
155.10687	3.9
157.10185	1.5
159.11732	3.2
161.13251	2.5
172.94362	12.7
173.11826	7.5
173.13199	1.9
174.99216	9.7
175.99612	1.7
176.98961	3.5
179.14360	1.1
189.11246	7.0
190.95416	13.5
208.96457	3.7
213.97061	1.6
214.95378	2.5
232.96480	20.1
232.98627	1.9
250.97484	7.5
250.99875	1.5
252.99745	2.1
255.98148	3.8
262.93906	2.4
275.20059	10.0
280.94968	3.1
292.22708	1.5
293.21155	2.8
328.11703	1.2
328.15311	2.2
343.04694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
55.05514	50.6
56.96563	3.1
57.03417	1.3
57.07059	1.5
59.04993	1.8
67.05502	14.4
67.47907	1.1
69.03430	6.2
69.07066	16.2
79.05502	26.9
81.07059	16.5
82.12795	1.3
83.04965	5.1
83.08141	2.7
83.08620	40.0
85.06535	1.9
91.05476	12.6
93.07034	10.2
95.04974	2.1
95.08607	7.7
97.10175	77.8
98.97615	3.5
98.98470	78.1
99.08128	1.6
105.07028	12.2
107.04956	1.8
107.08597	79.5
109.06512	1.8
109.10151	4.2
111.08077	3.8
116.98674	1.8
116.99525	2.0
117.07052	3.1
119.06047	1.5
119.08575	7.0
121.10130	3.5
123.11730	2.2
125.09634	61.6
130.93279	2.9
131.08517	2.6
133.10129	9.5
135.08046	6.4
135.11734	2.4
137.05962	3.1
138.06302	2.2
143.10689	4.1
145.10106	6.0
147.11685	7.4
149.09596	4.9
151.07603	2.0
152.07895	2.2
153.09122	4.4
157.10243	1.2
159.11710	3.8
161.13257	2.1
163.11172	1.9
170.11816	1.7
171.10152	10.0
171.11568	2.4
172.94359	10.5
173.13361	1.5
174.99294	8.9
176.98947	2.3
178.83583	1.4
181.12288	1.9
189.11223	100.0
190.95381	11.0
214.95355	3.1
229.19508	1.9
229.91116	1.2
232.96468	16.0
239.17905	2.4
247.20651	1.5
250.97490	7.1
250.99887	1.5
255.98244	1.9
257.19116	8.3
262.93829	2.7
275.20068	76.4
280.94980	2.1
293.21112	7.6
328.15503	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01875	8.1
55.05510	40.1
57.03440	10.1
60.95847	8.3
63.23460	4.7
65.03939	4.6
67.05169	7.1
67.05510	85.3
69.03436	9.4
69.07066	54.4
69.60960	23.0
71.04988	6.8
79.05488	60.2
81.03430	9.4
81.07061	100.0
83.05005	11.2
83.08620	23.3
85.06557	5.0
91.05489	48.5
93.07052	62.8
95.04987	16.2
95.08614	42.2
97.06532	15.8
97.10147	24.3
98.09696	9.5
98.98469	85.8
105.07033	47.5
106.09554	3.9
107.04926	7.3
107.08602	52.3
109.06525	13.5
109.10157	24.9
111.08111	11.8
112.18635	3.5
117.07027	14.5
119.08594	37.1
121.10157	29.1
123.08078	12.4
123.11704	10.8
125.09623	21.6
131.08537	20.6
133.10120	33.0
135.11690	32.7
137.06010	8.4
137.09676	9.3
145.10146	21.7
147.11705	27.7
149.09673	9.2
149.13310	15.3
151.11133	4.3
153.09099	4.6
157.10193	4.6
159.11720	15.9
161.13164	5.2
163.11206	12.3
171.10320	4.9
172.94400	7.9
173.13338	6.5
174.99269	5.8
177.12776	4.8
179.14288	4.1
181.12216	33.4
183.11739	4.3
189.11244	15.1
193.12234	6.8
195.13829	22.3
232.96429	11.0
239.17924	7.1
257.19022	10.9
266.65408	4.1
275.20078	66.1
291.34207	4.0
293.21152	13.5
328.18823	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01873	2.0
55.05516	12.9
56.96563	1.2
57.03432	2.2
59.05013	1.5
61.65870	1.0
67.05175	2.1
67.05511	33.1
69.03438	2.1
69.07075	9.4
70.52196	3.3
71.04998	3.3
73.57266	1.2
78.37698	1.0
78.95404	1.1
79.05499	24.8
81.03430	3.9
81.07063	24.2
83.04994	3.2
83.08639	7.3
91.05483	20.7
93.07049	28.0
95.04984	5.5
95.08610	13.9
97.06527	4.3
97.10182	4.7
98.98471	100.0
105.07036	15.5
107.08601	16.2
109.06533	2.4
109.10157	15.4
111.08081	2.0
117.07013	2.8
119.08583	11.7
121.06532	2.7
121.10146	12.0
123.08048	2.2
123.11696	1.3
125.09617	3.2
131.08600	5.8
131.13965	1.1
133.10129	10.4
135.11720	4.8
137.05933	1.2
137.09589	6.5
144.13177	1.2
145.10187	5.3
147.11719	6.0
149.09576	2.7
149.13274	2.6
151.11232	1.6
155.10698	2.7
157.10170	1.4
159.11719	3.5
161.13339	1.4
163.11188	2.0
172.94286	5.9
173.11758	6.6
173.13068	1.2
174.99217	9.0
176.98935	3.3
181.12297	3.0
189.11230	3.8
190.95413	5.9
193.12346	1.8
208.96399	1.5
211.13292	2.0
214.95412	2.5
232.96451	5.1
235.17015	2.9
239.18106	1.6
250.97580	3.8
252.99658	1.9
257.18848	1.3
275.20059	12.7
280.94952	1.4
328.15207	1.6
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
51.99081	1.0
53.03932	1.1
55.01881	5.6
55.05523	7.6
56.34290	0.9
56.96574	1.1
57.07074	2.9
67.05515	14.8
69.07074	6.7
71.04996	2.6
71.48043	0.8
71.56985	1.3
73.34290	1.0
79.05515	5.0
81.03410	2.4
81.07066	12.0
83.04993	3.1
83.08629	3.9
85.06543	2.0
86.83841	0.9
91.05502	9.4
93.07062	9.0
95.04980	3.5
95.08621	8.7
98.98479	100.0
105.07053	10.2
107.04947	1.5
107.08599	9.6
109.06543	2.3
109.10174	18.6
111.04483	1.2
111.08135	1.3
113.06034	1.1
116.99519	2.8
117.07063	1.6
118.96763	2.1
119.08623	4.7
119.65030	1.0
120.08905	1.2
121.06519	1.8
121.10162	2.7
123.04414	1.6
123.08077	3.1
123.11744	3.3
127.07592	1.3
129.24442	1.1
131.08600	2.8
133.10149	23.5
135.11774	1.6
137.09647	3.9
141.98373	2.1
145.10135	3.5
147.11702	2.2
151.11208	13.2
159.11731	1.8
161.09613	1.0
163.11221	2.2
164.07082	2.1
165.09187	1.5
169.12228	5.8
172.12180	1.1
172.94458	1.8
173.13260	1.2
174.99257	9.9
175.99562	1.8
176.98943	2.8
177.12712	1.2
179.10698	1.4
181.12370	1.0
215.12857	1.9
232.96516	4.0
253.00035	1.1
257.19052	1.4
275.20059	13.2
293.21176	11.2
310.31131	2.2
328.08313	1.2
328.15311	1.3
328.23553	1.7
328.35812	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	329.1019
Annotation	3,5,7-Trihydroxy-6-methylflavanone 3-acetate
Peak:m/z	Relative Intensity
53.00330	0.3
53.03958	0.4
55.01889	0.2
55.05529	0.2
59.26918	0.2
65.03944	2.3
65.04230	0.2
67.05527	0.7
68.71624	0.2
69.25355	0.3
69.25759	1.6
79.05493	0.3
80.07598	0.2
91.05484	1.4
93.03410	4.8
93.07059	2.6
95.04993	0.8
98.21659	0.3
98.98471	13.2
103.05450	1.4
105.04520	0.3
107.08604	0.2
121.02876	17.6
121.06510	20.8
122.06876	0.8
137.31210	0.2
139.03908	4.3
145.06496	0.2
149.01151	0.4
149.02353	9.2
166.05026	2.6
167.03407	100.0
168.03729	0.6
171.08183	0.2
174.99216	1.2
176.98940	0.4
208.06039	0.9
209.04463	41.3
241.08643	0.4
251.07068	0.3
252.99754	0.4
259.09589	0.4
269.07968	0.4
287.09082	6.4
297.97629	0.2
301.10770	0.2
311.09219	0.3
329.10098	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	329.1022
Annotation	3-Hydroxy-4',7,8-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03945	0.3
55.01651	0.0
55.01878	0.2
55.09750	0.0
57.03432	0.2
65.03945	0.8
67.01871	0.3
67.05502	0.1
68.99784	0.8
69.03433	0.2
69.07065	0.1
71.01353	0.1
71.04987	0.1
71.13406	0.1
75.04449	0.0
77.03920	0.1
79.01841	0.0
79.05489	0.2
81.02968	0.1
81.03417	1.2
81.07037	0.1
83.01344	0.1
83.04984	0.1
84.08150	0.1
85.02906	0.9
85.06548	0.1
89.03911	0.1
91.05477	0.4
93.03418	0.7
93.07037	0.3
95.01350	0.1
95.04963	0.3
95.08601	0.1
97.02908	0.3
98.98467	9.5
99.04450	0.1
100.98910	0.0
103.05441	0.3
105.03397	0.3
105.07024	0.1
106.04200	0.1
107.01339	0.1
107.04966	0.2
107.08614	0.1
109.02880	1.1
109.06501	0.1
109.10148	0.1
110.03674	0.1
111.00797	0.1
111.04449	0.2
115.05441	0.4
116.16724	0.0
116.99503	0.2
117.03393	0.2
119.04964	0.1
121.02869	2.3
121.06507	0.9
121.10143	0.3
122.03642	0.1
123.04458	0.3
124.01589	0.1
125.02369	0.3
125.05989	0.1
127.03894	0.3
131.04926	0.2
133.02858	0.4
133.06500	0.1
134.03650	0.3
135.00783	0.1
135.04420	1.5
135.08043	0.1
136.05298	0.1
137.02348	3.2
137.03383	0.2
137.05977	1.8
138.03116	0.4
139.03902	0.2
139.05473	0.1
141.01836	0.1
141.07008	0.1
143.04919	0.4
144.05664	0.1
145.02795	0.1
145.06474	0.1
147.04387	0.3
149.02344	4.0
149.05972	0.4
149.09608	0.1
151.03871	0.3
151.07614	0.1
152.01047	0.1
153.01836	0.9
153.02974	0.1
153.06998	0.3
155.04878	0.1
157.06499	0.1
159.04442	0.2
160.05170	0.2
161.02341	1.9
161.05965	0.6
163.03899	0.2
163.07565	0.1
165.01814	1.0
165.05470	0.2
165.06926	0.1
166.02634	0.5
167.03406	6.1
167.07094	0.3
167.10719	0.2
169.06444	0.1
170.02158	0.1
171.02940	0.1
171.04425	0.1
172.05157	0.1
173.05972	0.1
174.99216	0.9
175.00653	0.1
175.03937	0.1
175.07590	0.5
176.06288	0.0
176.98990	0.5
177.01833	2.4
177.05464	0.3
177.07031	0.3
177.09149	0.1
179.03430	0.6
179.07033	0.1
179.08548	0.1
181.06427	0.4
183.02924	0.3
184.03728	0.2
187.03897	0.3
187.07574	0.4
189.05493	0.1
191.08546	0.1
193.06468	0.1
194.07301	0.1
195.02898	3.3
195.08055	0.2
197.06004	0.2
199.07506	0.2
201.05510	0.1
203.03386	0.2
205.04922	0.3
205.06511	0.6
205.08553	0.1
206.07272	0.1
207.08112	0.1
208.05092	0.1
209.06052	0.3
210.06773	0.1
211.07549	0.1
212.04674	0.1
213.03769	0.1
213.05489	0.2
215.07074	0.1
216.07903	0.1
218.05704	0.2
219.08113	0.2
221.06021	0.1
222.06789	0.1
223.07533	0.8
225.05383	0.1
225.09128	0.1
226.06337	0.1
227.07018	0.5
229.04922	0.3
230.05783	0.1
231.06483	0.2
233.06020	0.3
234.06624	0.1
235.07521	0.1
237.05376	0.3
237.09091	0.2
239.07016	0.1
240.07820	0.2
241.04913	0.1
241.08783	0.1
243.06445	0.4
244.07207	0.2
245.04451	1.6
247.07713	0.1
250.06239	0.1
251.00049	0.1
251.04468	0.1
251.07047	1.0
251.10667	0.1
252.07782	0.3
252.99768	0.2
253.04955	0.1
253.08653	0.1
254.05795	0.1
255.06519	1.9
256.07315	0.1
257.04437	0.1
257.08112	0.1
258.05273	1.0
263.05460	0.2
265.05060	0.3
265.08289	0.3
267.06348	0.1
267.10394	0.1
268.07291	0.3
269.04419	0.2
269.08008	0.1
270.08917	0.1
271.06021	1.5
272.06790	1.9
273.07370	0.1
278.05927	0.1
279.06598	0.1
279.10306	0.2
282.05133	0.2
283.06052	11.0
283.09570	1.7
284.06516	0.2
284.10187	0.1
285.03986	0.3
285.07590	0.2
285.10898	0.1
286.04718	3.6
287.05453	0.1
293.04712	0.1
293.08041	0.2
299.05502	9.0
300.06274	12.6
301.07120	1.3
301.10635	0.2
310.04669	0.1
311.05536	7.8
311.09079	0.9
311.12955	0.3
312.05972	0.2
329.06543	100.0
330.06860	1.4
331.04382	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1234
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.01878	0.7
55.05514	0.6
57.03469	0.6
59.17498	0.5
65.03960	0.9
67.05515	1.9
69.03435	2.2
71.04995	1.0
79.05498	2.0
81.03433	1.8
81.07067	7.1
83.04994	1.4
84.04512	1.3
84.83829	0.5
85.02889	3.1
85.06553	0.8
91.05495	9.5
93.07057	2.5
95.04978	2.5
95.08629	1.0
97.02943	0.9
98.98478	100.0
99.04469	1.9
100.98859	0.8
107.08625	1.0
109.06519	5.7
109.10174	0.9
111.04474	1.9
116.99530	1.4
119.04102	1.0
119.04958	17.9
119.08601	1.3
121.06501	1.4
123.04432	0.5
127.03918	1.1
127.07571	1.1
128.05313	2.2
129.06641	1.3
130.05003	0.9
137.05991	11.2
137.09677	1.1
139.03941	0.7
140.05310	2.3
145.04950	0.8
147.04427	74.8
148.04771	0.8
149.09697	1.0
149.10735	0.7
151.03961	0.8
151.11209	0.7
155.07031	1.8
157.04877	0.6
165.05507	1.4
165.09082	0.6
167.10786	1.2
169.12199	0.5
173.08105	1.6
174.99258	9.3
175.07608	0.6
176.98929	3.6
185.03181	0.5
200.12834	1.6
201.11256	0.8
226.12643	1.1
231.08012	0.5
237.87343	0.5
243.08038	1.6
249.43678	0.6
251.00046	0.9
252.99797	2.2
293.33463	0.6
311.14310	1.2
329.06543	0.8
329.11893	0.9
329.15378	3.2
342.70435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05505	0.7
65.03938	0.8
67.05491	1.2
68.99795	0.6
69.03427	1.2
70.96092	0.7
70.96423	0.9
78.64608	0.5
79.05498	2.7
81.03406	1.4
81.07043	1.7
85.02915	2.6
85.06072	0.6
85.06546	7.5
89.03880	0.7
91.05488	3.9
93.03419	0.8
93.07046	4.0
94.04188	1.9
95.04967	1.3
95.06070	0.6
95.08591	1.3
96.18523	0.5
97.02894	1.2
97.06554	0.5
98.98471	61.2
103.05463	1.4
105.07005	1.3
107.04951	1.6
107.08600	0.9
109.02879	0.8
109.06516	2.1
109.10167	1.2
111.04426	0.6
111.84154	0.6
115.05470	4.5
116.99519	0.6
117.07020	4.6
119.04965	1.0
119.08659	0.6
121.06496	2.1
121.10143	4.0
122.03654	5.2
125.05991	1.0
127.03882	1.7
129.06993	1.5
131.04927	1.5
135.04416	1.3
136.05145	1.0
137.02371	7.9
137.05984	65.6
138.03128	0.8
139.11163	1.9
139.80316	0.5
143.04900	3.1
144.05728	2.7
145.06480	3.8
147.04349	0.5
149.02328	1.2
149.05992	3.2
149.09639	0.9
151.03922	0.9
151.07573	0.8
152.06226	0.8
153.05455	1.6
159.15195	0.6
160.05219	9.9
161.02289	0.7
161.06012	1.5
163.03937	0.7
163.07568	2.2
165.01738	0.9
167.03394	1.6
167.10695	2.5
171.02821	0.6
172.05188	3.6
174.99251	6.7
175.07556	36.2
176.98926	2.9
177.05443	0.8
177.09119	2.9
180.05721	0.7
187.07553	26.8
188.08377	0.7
190.07841	0.7
191.07027	1.1
191.08583	3.2
195.02837	0.6
197.06058	0.7
198.06625	0.7
198.14731	0.5
205.08559	2.9
208.05217	5.0
218.07402	0.8
219.08093	5.5
221.09920	0.6
224.04517	0.7
225.05473	1.1
226.06288	1.2
227.07057	2.0
229.05016	1.0
235.07588	1.1
236.04729	1.1
236.08311	1.0
240.07799	1.8
243.06601	1.4
244.07266	0.8
247.07571	3.1
251.06961	0.6
251.10585	3.8
252.99731	1.3
253.08377	0.8
254.05684	1.4
255.06537	1.6
257.04492	0.6
259.06110	1.3
261.09058	1.4
264.07846	1.6
265.08429	0.8
268.07327	2.4
269.08032	3.2
270.08899	2.0
271.06052	5.1
272.06784	5.9
279.10181	6.8
280.10748	0.9
281.08139	1.6
283.06085	1.6
283.09683	7.4
284.06598	0.7
286.04727	1.0
293.11517	0.9
296.10413	2.2
299.05487	3.3
300.06308	22.0
301.07205	3.2
311.05481	1.3
311.09171	1.2
311.12778	19.3
315.08661	9.5
329.06573	100.0
330.06946	1.4
330.10831	8.6
337.04889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06890	1.1
62.69785	1.2
65.03967	1.2
68.26263	0.9
69.50248	8.8
79.05509	1.7
81.07043	1.6
85.06554	2.0
90.52862	1.0
91.05477	5.0
93.03396	1.5
94.04221	2.4
95.04948	1.1
98.21500	2.0
98.98472	53.5
102.94980	1.2
103.05467	3.5
107.04945	1.9
109.06536	3.9
115.05471	5.1
116.73215	1.2
117.07014	5.0
122.03632	6.3
123.04335	1.1
127.88416	1.3
131.04907	5.7
137.05989	100.0
143.04919	2.7
144.05716	3.8
145.06482	7.5
147.04379	2.6
149.06038	3.0
151.07552	2.1
153.05469	1.5
154.73021	1.1
160.05214	10.0
161.05983	1.8
163.07593	3.1
172.05225	5.8
174.99242	5.1
175.07565	44.6
176.98943	2.9
177.07663	1.0
177.09145	4.9
179.07051	3.9
187.07567	40.0
190.07852	1.8
191.07056	2.0
191.08638	3.7
205.08594	5.9
219.08095	6.1
224.85629	1.3
227.06950	1.3
236.08328	1.4
240.07874	2.0
247.07584	3.6
251.10718	4.8
261.09229	1.7
264.07971	1.9
265.08838	1.3
268.07355	2.5
270.08890	3.9
279.10181	11.6
283.09656	10.7
285.11209	2.9
296.10544	2.4
299.12772	1.8
311.12796	27.0
352.19324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1384
Annotation	Hirsutanone
Peak:m/z	Relative Intensity
55.01843	0.5
65.03953	0.6
67.05519	0.5
69.03413	0.7
69.97910	1.3
69.98327	1.7
70.06593	0.7
71.04971	0.8
79.05496	2.0
81.07064	1.9
81.97587	0.5
85.06542	1.8
89.03905	0.7
91.05494	3.0
93.03408	0.6
93.07024	0.7
94.04189	2.9
95.04943	0.6
97.02935	0.7
98.98470	52.7
99.04470	0.6
101.69231	0.6
103.05479	2.5
107.04966	2.1
109.06541	3.3
109.10168	0.8
111.04431	0.6
115.05456	5.8
117.07024	5.6
119.04958	1.5
121.06487	1.0
121.10077	0.8
122.03658	7.1
125.05974	2.0
129.06976	0.6
131.04939	3.9
133.06464	0.5
136.05090	0.6
137.05983	100.0
138.06326	0.8
143.04912	2.9
144.05696	5.1
145.06505	5.7
146.03644	0.7
147.04420	0.6
147.08046	1.1
149.05960	4.2
153.05472	2.6
160.05205	15.0
161.05948	1.7
161.35681	0.6
163.07539	3.3
165.06995	0.8
167.07132	0.9
167.10753	0.8
172.05211	5.1
173.05920	0.8
174.99232	5.9
175.07556	53.2
176.98915	2.8
177.09106	3.9
179.07053	2.1
187.07549	37.4
188.08295	0.7
189.06999	0.8
189.94646	0.5
190.07800	1.0
191.07039	1.0
191.08600	2.8
205.06657	0.9
205.08586	4.5
207.08121	0.8
208.08870	1.6
210.02496	0.8
218.07242	1.6
219.08086	6.3
220.08827	0.8
221.05931	0.9
225.05365	0.7
227.07019	1.2
235.07703	0.8
236.08354	1.9
237.09097	0.8
240.07860	2.1
247.07549	5.6
248.08310	0.6
251.07095	0.7
251.10706	4.6
252.99724	1.0
253.08664	1.2
255.06583	1.1
261.09268	0.7
264.07874	2.6
265.08600	1.0
268.07339	2.1
270.08902	3.3
279.10162	12.5
280.11026	1.0
281.08072	1.7
283.09659	10.2
285.11197	1.3
293.11499	0.8
296.10443	1.4
299.12909	1.5
311.12772	26.0
315.08862	0.6
329.06778	1.3
329.13821	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	329.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91731	1.2
67.05439	1.4
69.03392	1.2
69.98269	4.5
70.06616	2.0
81.07050	2.1
85.06583	1.4
91.05482	5.0
94.04212	2.2
98.98467	74.5
99.04469	1.9
103.05463	4.8
107.04964	1.6
107.47810	1.6
109.06506	3.3
111.04395	1.7
115.05434	7.1
117.07037	5.8
119.04961	2.3
121.10155	1.7
122.03683	4.8
131.04929	5.0
137.05983	100.0
143.04964	3.5
144.05684	4.6
145.06494	6.1
147.04350	1.8
149.06055	3.3
151.07541	3.2
153.05437	2.4
155.05002	1.7
160.05196	11.1
161.05981	3.6
161.61331	1.3
163.07568	4.2
172.05202	5.0
174.99251	6.1
175.07542	36.2
176.98927	2.3
177.09106	4.0
179.07120	6.5
187.07564	35.7
191.06982	1.8
191.08557	2.8
205.08667	6.4
219.08096	8.7
221.06042	1.6
227.07130	2.3
236.08331	1.9
247.07523	2.7
251.10695	4.3
252.99835	2.1
253.08699	2.2
264.07767	1.8
270.08859	3.0
279.10101	9.5
280.10754	1.3
283.09634	11.7
285.11310	4.1
296.10513	3.2
311.12808	26.0
318.07849	1.4
329.13953	3.2
330.10687	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2325
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.03946	2.6
55.01854	3.6
55.05515	13.6
57.03436	2.6
62.23809	1.2
65.03909	1.3
67.05172	1.9
67.05512	27.2
69.03423	2.6
69.07076	13.3
70.95293	2.3
71.05002	19.7
79.05500	25.6
81.03429	1.6
81.07063	25.6
83.04987	8.2
83.08620	4.0
85.06541	5.5
91.05487	25.6
93.06466	2.3
93.07052	33.0
95.04950	2.9
95.08137	1.3
95.08622	12.7
97.06548	10.8
97.10205	7.2
98.98476	100.0
100.98879	1.5
103.05486	2.2
105.07046	16.3
107.04953	2.5
107.08604	16.0
107.28894	1.2
109.06528	4.6
109.10166	7.6
111.08090	3.8
116.99538	1.6
117.07026	5.5
119.08575	10.6
121.06514	10.9
121.10152	15.2
123.08028	2.1
123.11691	2.7
125.09637	5.6
129.07033	2.0
129.09116	5.4
131.08595	8.0
133.10152	9.2
135.08066	2.8
135.11690	2.0
136.07588	3.2
137.06032	1.5
137.07915	1.9
137.09636	2.3
139.11183	8.1
145.10114	4.9
147.11682	5.6
149.09558	2.5
151.11172	2.6
157.10133	3.5
159.11682	3.4
161.13213	2.1
163.14763	1.4
171.11693	1.5
173.13277	3.0
174.99245	11.6
176.98990	6.3
185.11760	1.9
185.13280	1.5
189.11223	3.1
193.12221	1.5
194.40216	1.2
203.12788	9.8
207.13963	1.5
209.15410	1.3
225.14854	1.6
252.99918	2.3
257.18985	4.3
263.20129	2.7
275.17365	1.4
275.20108	21.6
293.21164	8.6
297.36884	1.4
302.15457	1.2
311.22177	1.8
329.19415	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2324
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.26141	0.7
53.03947	1.1
55.01876	27.5
55.05514	6.7
57.03436	2.0
57.07058	0.7
67.05509	7.6
69.03420	1.5
69.07076	6.9
70.91195	0.8
70.91517	1.5
71.04984	2.4
79.05499	10.0
79.94994	0.8
81.07059	11.4
83.04984	16.9
83.08615	3.9
85.06534	4.0
91.05495	5.9
93.03426	1.5
93.07048	6.3
95.04971	2.7
95.08620	5.6
97.06545	3.3
97.10168	2.7
98.21263	1.0
98.98470	59.8
99.08104	0.8
103.05506	0.9
105.07035	4.0
107.08610	11.7
109.06489	0.8
109.10145	3.0
113.06055	1.2
113.09652	3.5
117.07050	1.5
119.08588	2.9
121.02856	4.5
121.06521	7.3
121.10147	4.0
123.11694	1.2
125.09636	100.0
129.06943	0.7
129.09131	2.2
131.08589	3.2
133.10146	2.4
135.11723	2.6
135.64418	0.7
139.03906	1.2
139.11182	1.4
140.27425	0.8
141.39723	0.9
145.10127	2.6
147.11620	0.7
149.02362	2.3
149.09633	1.9
151.11215	0.9
153.12746	1.0
157.10069	0.8
159.11757	2.8
163.11215	1.7
167.03409	26.9
167.08643	0.7
167.10612	1.4
171.11626	1.5
173.13295	0.8
174.99219	5.8
176.98997	3.0
181.12254	1.2
189.09558	0.7
189.11234	1.3
209.04504	10.3
211.13269	0.9
239.18123	1.1
251.16370	0.7
252.99902	1.0
257.19080	1.5
275.20078	9.8
287.09137	1.8
293.21112	13.1
311.22195	4.4
329.10071	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03278	0.5
52.84746	0.6
53.03943	0.7
55.01879	0.7
55.05263	0.9
55.05515	14.1
55.31994	0.5
56.96572	0.5
57.03447	2.6
57.07085	7.7
65.03927	0.6
67.05509	15.1
69.07076	18.4
70.06603	0.9
71.05013	1.2
71.08638	3.9
71.57820	0.9
75.27326	0.6
79.05502	10.9
81.07063	22.5
83.04971	1.0
83.08630	14.9
85.06543	0.9
85.10164	1.8
88.07589	0.6
89.19662	0.6
91.05500	3.3
93.07050	11.7
95.08618	15.2
97.06532	6.8
97.10178	8.8
98.98473	100.0
99.08103	0.8
105.07066	1.5
107.08604	10.9
109.10171	8.3
111.08094	2.9
111.11748	1.6
111.99985	0.8
116.99519	2.3
118.73714	0.5
121.10153	19.8
123.11721	5.5
124.47530	0.5
125.09636	1.4
125.13272	0.6
129.05530	0.8
133.10141	0.7
135.11702	16.1
137.13263	4.0
139.11198	1.4
149.02277	0.7
149.13257	5.0
153.12718	1.1
159.11665	0.8
163.14832	3.2
167.14403	0.9
167.99715	2.3
168.21870	0.5
174.99222	11.5
176.98940	3.5
177.00296	1.2
177.16371	1.2
190.01129	1.5
196.04312	0.8
199.01598	0.8
219.21080	22.1
226.34944	0.6
237.22139	18.3
251.00079	1.1
252.99789	2.3
253.67874	0.6
255.23265	1.8
264.01694	1.0
278.92865	0.6
280.32166	0.6
286.03293	1.2
295.03784	0.9
303.23737	0.7
304.04343	1.6
311.25858	10.8
329.20956	0.9
329.27341	1.1
330.33670	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	330.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00719	0.7
56.79649	0.8
62.06092	1.2
64.51091	0.8
69.03433	5.2
70.06576	1.9
71.56026	0.8
72.03028	0.8
72.98974	0.9
74.51427	0.7
79.05495	5.3
81.03444	1.2
81.07055	3.0
84.08125	1.7
85.02917	8.7
91.05489	7.9
91.37411	0.7
93.07041	1.4
95.04974	4.5
97.02898	16.5
98.98474	38.5
103.05428	1.0
107.04957	22.5
107.08622	1.0
109.06515	1.5
111.04507	0.9
113.02384	1.4
115.03944	3.2
119.04960	5.7
121.06527	11.3
122.06056	1.0
122.06832	1.2
123.04430	11.1
123.25228	0.9
125.02351	5.3
127.03901	1.4
135.04428	100.0
135.11688	0.9
136.93147	1.8
137.05989	30.2
143.03391	3.2
145.05025	0.8
147.04430	3.4
148.04774	6.2
151.03885	2.1
153.05453	8.7
153.12744	1.9
154.94193	1.5
161.04451	8.2
165.05449	1.6
168.06578	3.9
168.10223	1.0
172.95265	1.2
174.99252	3.5
175.99673	1.2
176.98903	2.5
183.18600	1.0
232.75136	0.8
238.74721	0.8
312.12497	1.1
330.12399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05546	1.3
55.01855	1.1
55.05513	4.2
56.96565	3.4
57.03422	2.3
57.07072	2.9
60.04523	1.9
61.34583	1.1
67.05504	11.2
69.07066	4.3
69.87659	5.2
70.06593	2.6
73.21227	1.1
74.06097	1.4
77.96500	1.2
79.05492	5.1
81.07065	11.2
83.04971	2.0
83.08620	3.1
87.04475	7.1
88.07625	1.4
91.05491	3.1
93.07050	8.1
95.04996	2.3
95.08609	7.4
97.06564	1.5
97.10175	2.4
98.98471	100.0
101.06001	2.7
105.07002	2.7
107.08572	4.1
109.10148	7.1
116.99489	2.0
117.07011	1.5
119.08554	3.6
121.10145	3.6
123.11698	1.7
125.09647	1.3
133.10126	2.4
135.11644	2.0
137.09613	1.5
139.11211	2.9
155.10690	1.9
173.11722	5.5
174.99191	8.0
175.99557	2.1
176.98975	6.0
178.08693	2.9
189.11235	1.8
194.30518	1.1
211.13136	1.4
270.27878	2.8
277.21695	6.2
295.22687	4.5
309.68439	1.6
330.17050	2.2
330.29977	11.3
330.33871	4.5
331.08044	1.4
331.18768	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
54.83737	1.2
55.01870	3.2
55.05307	1.5
55.05519	15.0
56.96559	4.1
57.03437	7.2
57.07081	7.2
59.16590	1.5
62.26728	1.2
65.03947	1.3
67.05170	2.3
67.05512	40.2
69.03417	2.4
69.07075	17.8
69.59860	8.8
70.06591	3.5
71.04979	4.3
71.08616	4.6
79.05499	25.9
81.03408	2.6
81.07065	47.7
83.04984	9.8
83.08623	10.5
85.06551	4.0
87.04479	26.2
88.07617	5.4
91.05489	16.6
93.07054	33.0
95.04963	5.1
95.08041	2.3
95.08614	27.8
95.90137	1.3
97.06522	7.1
97.10178	4.1
98.20770	2.8
98.98475	100.0
99.08090	2.9
100.11217	2.0
101.00838	1.7
101.06001	1.6
102.09168	2.8
105.07027	12.1
107.08606	15.4
109.06547	2.5
109.10161	15.0
111.08114	4.0
113.09650	1.6
117.07005	4.6
119.01868	2.5
119.08590	8.6
121.06508	6.9
121.10156	20.4
123.08073	2.1
123.11712	4.6
125.09605	3.2
129.07014	2.3
131.08578	5.0
133.10117	10.6
135.08061	1.6
135.11696	20.6
137.09607	2.1
139.11191	14.8
143.01927	1.6
143.08580	1.8
145.10141	2.9
147.11697	6.4
149.13286	13.0
151.11137	3.0
153.12714	3.1
157.10060	2.8
159.11696	8.3
161.03029	1.5
161.13298	6.3
163.11238	1.6
163.14749	2.3
165.12805	2.1
170.10333	1.5
171.11794	1.7
173.11732	4.6
173.13182	2.2
174.99239	5.1
175.11223	1.5
175.14812	3.2
176.98973	6.2
177.12717	6.3
178.08629	2.4
179.14319	1.6
186.12465	1.4
189.11061	2.2
193.12276	1.8
195.13818	21.1
198.01749	1.4
223.97821	1.6
231.21069	3.2
241.19510	4.3
249.22177	4.2
259.20670	6.9
268.30002	3.7
270.27908	7.5
270.98267	1.5
277.21652	38.5
295.22702	16.0
306.67316	2.1
307.12265	13.1
325.13120	6.6
330.13974	3.0
330.17395	7.6
330.29980	28.3
330.33719	10.6
331.18896	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3367
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.05504	0.4
57.07084	6.3
58.06604	0.4
67.05494	0.3
69.61713	1.7
70.06598	10.0
71.08642	2.6
77.93240	0.3
85.10190	1.2
88.07638	14.1
96.37083	0.3
98.21476	0.6
98.98471	3.1
102.09184	3.4
106.08675	7.7
247.69725	0.3
268.30072	0.7
286.31027	0.8
312.32599	6.9
329.88876	0.3
330.33676	100.0
331.33994	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0791
Annotation	Malvidin
Peak:m/z	Relative Intensity
53.99736	2.3
61.08835	2.4
69.59222	7.7
69.59631	8.0
75.26591	2.5
85.02891	3.3
112.89603	6.2
127.30944	2.6
136.94090	3.1
198.98529	2.6
200.66190	2.5
232.90160	13.9
258.99738	2.7
331.07922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03954	1.9
55.01885	0.5
55.05505	0.7
56.96561	0.4
62.60415	0.2
67.05494	0.9
68.82977	0.3
69.03439	0.4
70.55508	0.8
77.03931	0.5
79.05492	0.6
81.03418	0.5
81.07066	3.6
85.02882	0.6
90.63194	0.3
91.05488	7.4
93.07051	11.6
95.04973	2.7
95.08604	1.0
98.98466	5.3
103.05470	8.7
105.04519	1.1
107.08613	0.3
117.03391	0.5
121.06513	100.0
122.06853	0.8
123.11721	2.9
127.03887	0.3
137.05994	0.7
145.02859	0.6
149.05997	0.3
151.03937	2.2
151.11160	0.5
169.12271	1.0
176.98962	0.6
177.05496	1.5
181.06602	0.3
187.13283	0.5
189.63158	0.3
271.09698	0.8
331.11697	2.5
331.17523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.1
51.02375	0.3
52.52973	0.1
53.03947	1.7
55.01867	0.3
65.03932	0.2
71.57032	0.2
77.03919	0.6
79.05503	0.1
81.03441	0.2
83.20223	0.1
89.64712	0.1
91.05488	6.7
91.32055	0.1
92.05823	0.1
93.07051	10.1
93.37695	0.1
95.04976	2.4
95.08575	0.2
98.98476	3.4
102.04704	0.1
103.05479	7.6
105.04521	0.9
105.07052	0.1
116.99506	0.1
121.06515	100.0
122.06828	0.8
151.03906	2.1
154.72453	0.1
174.99219	0.2
176.98958	0.3
193.31036	0.1
225.02499	0.1
271.09763	0.2
303.28577	0.1
308.06247	0.1
314.20410	0.1
331.13834	0.3
353.62744	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.1
51.02380	0.4
53.03948	1.6
55.01866	0.3
65.03941	0.2
67.05517	0.1
71.57488	0.2
77.03933	0.5
79.05498	0.2
81.03432	0.3
81.07059	0.2
83.04962	0.1
85.02890	0.2
91.05488	6.0
93.07051	9.8
95.04972	2.2
95.08578	0.1
98.21315	0.1
98.98474	4.6
98.99123	0.2
103.05475	8.0
105.04535	0.9
112.07376	0.1
121.06513	100.0
122.06831	0.8
123.04408	0.2
125.65051	0.1
151.03902	2.2
174.99236	0.1
176.98987	0.4
271.09677	0.3
308.12912	0.1
331.08179	0.2
345.68893	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03954	3.7
56.96567	1.1
59.26614	0.4
65.03947	0.7
67.05514	3.7
69.36490	3.6
77.03937	1.4
79.05486	1.4
81.03439	0.6
81.07064	1.3
82.27689	0.4
82.65687	0.4
84.02642	0.4
91.05495	7.8
91.96620	0.5
93.07047	10.7
95.04977	36.5
95.08598	0.8
98.21068	1.7
98.54301	0.4
98.76588	0.4
98.97552	0.6
98.98476	15.3
100.98869	0.8
103.05482	7.8
105.03403	0.6
105.04533	2.1
105.07035	0.8
107.04956	0.7
109.10134	0.7
119.04928	1.7
121.06516	100.0
123.00809	1.3
123.04438	11.1
123.11788	0.4
133.02852	1.7
133.10141	0.7
134.68713	0.5
135.04416	1.2
135.11673	0.6
137.06012	1.5
141.01778	0.7
147.04482	1.7
149.05980	0.4
151.03915	38.5
151.11159	0.4
153.05534	1.0
154.07835	0.7
163.03912	0.7
165.05591	0.8
165.06912	0.4
169.10062	0.6
174.99252	0.7
175.03963	1.5
176.98918	1.2
178.07770	0.8
179.08551	0.9
187.02687	0.4
191.16003	0.5
193.05000	3.2
197.09729	0.9
225.09106	0.8
243.10336	0.7
253.08553	0.6
271.09644	6.8
313.10764	1.6
331.11929	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.00301	0.2
53.03952	2.7
55.01858	0.3
55.05522	0.2
56.96556	0.2
62.45171	0.2
65.02123	0.2
65.03939	0.5
67.05505	0.5
69.07063	0.3
71.56896	0.2
77.03938	0.6
78.04724	0.2
79.05488	0.5
81.03400	0.4
81.07063	0.6
90.50926	0.2
91.05485	7.6
93.07047	11.8
95.04972	2.9
95.08594	0.5
97.02909	0.3
98.98470	20.5
100.98888	0.5
103.05473	9.2
105.04512	1.7
105.07036	0.3
109.10168	0.5
116.14281	0.2
116.99469	0.3
119.08652	0.2
121.06509	100.0
122.06826	0.8
123.11724	0.2
127.03883	0.2
133.10088	0.2
135.11726	0.2
145.10175	0.2
147.04376	0.2
151.03912	0.3
174.99271	1.4
176.98933	1.9
252.99768	0.6
254.99564	0.4
313.17789	0.2
316.05756	0.2
331.08139	0.5
331.11621	0.4
331.18872	2.1
331.22455	0.3
333.29022	0.2
340.09735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1289
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
53.19298	0.4
55.01896	2.3
55.05508	1.0
56.96547	0.6
66.86726	0.5
67.05486	1.6
69.03426	0.6
69.07076	0.9
71.04980	2.0
71.51552	0.4
79.05479	1.0
80.92272	0.5
81.03421	0.6
81.07051	4.8
82.06586	0.5
85.02888	1.8
85.06521	0.5
91.05473	1.7
93.07039	1.7
94.06539	1.4
95.04976	0.8
95.08614	4.3
97.02917	0.5
97.06542	0.7
98.98464	12.4
101.03848	0.5
103.05486	0.6
106.06555	1.6
107.08612	0.7
108.04482	2.3
109.10172	1.0
110.06044	0.9
119.04961	0.5
121.06488	2.6
122.06023	2.5
123.11717	2.9
127.33260	0.4
129.27736	0.5
134.06004	2.2
135.04425	0.7
136.03952	1.8
136.07472	0.6
137.05957	3.8
137.09625	0.9
140.06984	0.5
145.02797	0.8
146.05981	0.8
148.07552	1.0
149.06003	0.7
150.05501	1.3
151.07536	1.3
151.11185	0.8
152.07100	0.7
155.10631	0.7
158.09628	1.1
160.07555	0.5
161.07088	1.5
162.05516	6.2
163.03925	4.0
163.06180	0.7
164.07071	1.9
165.09103	1.6
167.07175	0.7
168.06601	1.2
169.07631	0.5
169.12233	1.5
170.08272	1.1
170.09685	1.0
173.10782	1.3
174.99292	1.0
176.07092	1.6
176.98926	1.0
177.05576	0.9
181.04916	0.5
181.06425	0.9
183.09232	0.6
184.07568	0.7
184.11261	1.0
186.07832	1.3
187.08707	1.9
187.10654	0.5
187.12195	0.8
189.06622	5.6
194.08130	0.9
196.09962	0.6
197.10719	0.6
198.09206	1.0
199.08708	1.0
200.09302	1.0
201.06494	0.6
201.10204	4.0
201.13884	0.6
203.08131	2.7
211.08769	0.9
211.12366	0.7
212.10770	1.1
213.10254	2.1
214.07205	1.3
214.10835	0.6
215.08180	8.8
215.11714	3.7
225.10281	1.1
227.08234	1.2
228.08966	1.2
229.06285	0.8
229.09749	10.1
229.13405	1.4
231.11349	0.9
237.00714	0.5
238.06226	0.7
239.11621	2.2
240.10257	1.4
241.09763	1.1
241.13373	0.6
242.10449	0.8
243.07712	2.0
243.11333	5.7
247.14314	0.6
252.08884	0.6
253.09767	1.4
254.10345	0.9
255.11220	1.3
256.11932	0.6
257.09216	8.4
257.12872	5.5
258.11234	0.6
259.05472	0.7
267.11276	3.2
268.05972	0.6
269.08966	0.6
271.10812	5.8
275.13965	3.2
285.12363	8.7
292.17966	0.5
295.10782	3.7
303.13324	2.8
313.11819	17.3
316.09219	0.5
331.12881	100.0
332.08667	0.5
332.13208	1.6
354.51501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01875	6.5
55.05515	38.7
57.03434	0.9
57.07093	1.2
59.05005	3.0
61.02917	1.6
61.88755	0.5
65.03942	2.8
67.05512	11.4
69.03436	13.2
69.07072	26.7
69.49239	0.5
69.53596	0.5
70.06596	0.8
70.81880	1.0
70.82207	0.8
71.04991	2.5
73.02917	0.9
79.05489	4.2
81.03424	3.0
81.07064	6.7
81.32616	0.6
83.04993	6.3
83.08625	100.0
84.04522	0.6
85.02908	6.8
85.06556	1.6
87.04482	1.2
87.08098	2.5
91.05473	3.6
93.03425	4.8
93.07049	11.3
95.04978	14.9
95.08620	4.8
97.02910	2.5
97.06544	4.5
98.98474	23.2
99.04488	0.9
103.05486	1.2
105.04530	0.8
105.07034	3.0
107.04981	0.5
107.08578	3.3
109.02863	0.7
109.06541	2.5
109.10162	3.0
110.97567	0.5
111.04449	19.1
111.08090	34.2
119.08587	0.9
121.02868	3.5
121.06499	6.5
121.10160	1.5
123.07994	0.7
123.11678	4.2
127.03963	1.8
129.05524	3.1
129.09119	5.9
133.10146	3.0
137.02417	0.7
137.09660	0.6
139.03912	7.8
139.07533	5.2
139.11215	0.7
145.04948	1.3
151.11198	13.1
153.12770	0.6
157.05009	1.3
157.08615	36.0
169.12239	12.1
174.99231	0.9
175.09666	80.3
176.98912	1.9
179.71208	0.5
193.12221	0.7
201.11285	0.6
202.14349	0.6
215.75261	0.6
219.75473	0.5
249.11215	0.9
267.12280	8.3
285.13464	1.4
295.11798	1.7
313.12830	22.2
313.16443	1.1
331.13867	21.1
331.17224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1753
Annotation	Schizonepetoside C
Peak:m/z	Relative Intensity
53.03950	5.6
55.01869	4.6
55.05505	4.6
57.03430	4.4
57.07064	2.3
58.06609	2.8
59.05008	31.9
61.02920	8.1
67.05510	12.4
69.03429	16.2
69.07065	7.3
69.20212	14.0
69.20639	10.0
70.06596	6.1
71.04996	19.7
79.05510	14.8
80.61160	2.1
81.03413	6.7
81.07066	56.6
83.08624	2.7
83.65932	2.3
84.08144	7.4
85.02428	3.1
85.02915	47.0
85.06539	3.2
86.00662	3.1
86.06079	2.8
90.99615	2.2
91.03968	3.0
91.05497	16.0
93.07050	50.7
95.04967	8.7
95.08614	7.9
97.02898	12.0
97.06519	3.4
98.98473	56.2
103.05473	7.1
105.07050	11.5
107.08611	30.9
109.02855	3.8
109.06516	17.7
109.10165	56.9
111.08088	15.4
114.05529	4.6
121.06519	51.1
121.10138	2.8
122.06781	2.9
123.11719	49.4
127.03915	7.0
131.08609	3.1
133.10155	32.6
135.11696	3.6
145.04974	7.7
151.11198	100.0
165.09178	2.2
169.12250	10.8
176.98926	3.6
182.10054	3.5
197.12874	2.3
218.76440	2.6
226.25128	2.4
228.10568	8.2
294.13312	2.5
330.65945	5.1
331.12640	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	331.1754
Annotation	Picrocrocin
Peak:m/z	Relative Intensity
53.03948	3.3
55.01867	2.9
55.05508	8.7
57.03440	6.5
57.07077	3.8
59.05010	10.6
61.02928	8.2
64.68429	1.4
65.03922	1.6
67.05511	15.1
69.03435	32.4
69.07076	17.6
70.81251	3.2
71.04996	32.5
71.08610	2.1
73.02931	4.7
79.05495	15.0
81.03417	16.6
81.06578	3.4
81.07062	71.6
83.04982	6.5
83.08617	8.3
84.04490	1.6
84.08128	1.9
85.02911	53.5
85.06567	4.8
85.81081	1.5
86.09721	1.3
87.04444	1.7
89.06030	1.8
91.03959	1.3
91.05497	10.5
93.07046	17.1
95.04976	12.2
95.08598	12.2
97.02893	21.1
97.06528	8.6
97.10202	2.1
98.97565	3.1
98.97702	3.0
98.98471	59.2
99.04468	8.1
99.08087	3.9
101.02386	1.6
103.05474	1.7
105.07049	9.7
107.08605	25.9
109.02879	7.4
109.06528	11.2
109.10168	40.3
111.04477	2.8
111.08089	10.3
111.11718	5.0
113.06026	2.1
115.03938	2.4
119.08567	2.3
121.06487	11.0
121.10161	5.6
123.04440	5.7
123.08065	5.7
123.11715	47.4
125.06049	2.7
125.09635	3.0
127.03934	19.3
127.11195	4.8
130.05003	1.9
133.06526	1.8
133.10130	9.3
135.08057	4.2
135.11696	2.7
136.08856	4.1
137.05954	2.0
137.09604	2.1
139.03979	1.6
139.11176	15.8
141.12758	6.4
144.86858	1.7
145.04930	8.7
147.08115	2.0
147.11684	2.5
149.09628	3.5
151.03964	2.5
151.07570	4.3
151.11192	100.0
153.09045	1.9
153.12729	17.0
157.12276	12.2
158.99710	2.0
163.03920	3.3
163.11168	2.6
163.90070	1.5
169.12254	68.0
174.99269	3.2
175.09689	5.8
175.11200	4.6
176.98946	6.0
177.09129	1.9
181.12234	3.4
193.12276	14.2
211.13341	2.4
225.11292	1.9
235.13409	5.3
247.13374	1.7
252.99736	1.7
295.15274	3.3
301.16504	2.0
313.07111	4.3
313.13095	2.1
313.16473	9.2
331.17413	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	331.1754
Annotation	Picrocrocin
Peak:m/z	Relative Intensity
51.02380	1.3
53.03940	4.3
55.01859	4.1
55.05517	9.6
55.05735	1.8
55.27707	1.2
56.96579	2.1
57.03437	9.5
57.07063	4.8
59.05011	9.1
61.02938	6.6
65.03929	1.5
66.86876	1.1
67.05222	1.3
67.05506	16.5
69.03078	2.4
69.03431	39.6
69.07070	19.9
70.06591	3.2
71.05000	30.9
71.08599	1.3
71.56677	1.6
72.08158	2.1
73.02913	3.6
77.03181	1.3
79.05498	15.1
81.03429	14.5
81.07063	74.5
83.04988	10.2
83.08630	13.0
84.04498	2.0
84.08139	2.1
85.02909	56.7
85.03428	2.9
85.06530	4.2
86.27844	1.4
87.04472	3.1
91.03998	1.6
91.05492	9.9
93.07042	17.9
95.04970	12.7
95.08607	11.2
96.31254	1.2
97.02895	23.0
97.06534	10.0
97.10157	1.3
98.97607	4.2
98.98473	95.7
99.04456	8.1
99.08090	5.4
100.98875	2.5
101.02387	2.5
101.69630	1.3
103.03951	3.1
103.05496	2.0
105.07032	8.8
107.04957	2.5
107.08602	25.1
109.02897	7.6
109.06532	12.3
109.09454	2.4
109.10165	39.8
111.04441	4.4
111.08093	9.4
111.11711	3.5
113.06015	1.6
115.03982	1.6
119.08575	4.0
121.02823	1.5
121.06517	11.4
121.10153	5.5
121.53909	1.3
123.04403	4.8
123.08096	7.5
123.11714	52.6
125.05988	2.2
125.09655	3.1
127.03927	21.6
127.11162	3.5
129.05504	1.6
130.04958	1.5
131.08600	1.7
133.02841	1.7
133.06485	1.5
133.10121	8.8
135.04453	1.6
135.08037	5.1
135.11702	3.0
136.08789	3.0
137.05928	2.4
139.03900	2.0
139.07526	2.3
139.11191	13.6
141.12740	5.2
145.04976	8.6
147.07985	2.6
149.05919	1.8
149.09604	5.5
151.03862	2.4
151.07567	3.0
151.11191	100.0
152.11536	1.7
153.09129	2.5
153.12756	16.8
155.07062	1.9
157.08635	3.4
157.12228	9.5
158.99693	1.7
161.09644	1.4
163.03911	4.1
163.11137	3.8
165.09081	2.0
169.12256	81.3
174.99243	4.8
175.09653	10.7
175.11182	5.0
176.98917	11.1
181.12238	3.9
189.09119	1.5
193.12224	10.3
194.07027	5.1
203.07491	1.7
207.10120	2.3
211.13226	2.1
235.13292	4.2
247.13387	2.7
252.99921	1.6
277.14261	1.5
295.15430	4.0
313.12833	3.2
313.16449	8.9
331.13620	2.9
331.17166	12.8
348.38657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.05518	3.7
59.04994	2.7
62.80242	0.7
67.05495	2.6
69.03406	1.3
69.07074	3.9
69.82473	1.4
69.82896	2.4
71.04995	20.8
71.95251	0.7
73.06558	7.5
79.05502	8.9
81.07065	36.0
85.06557	1.1
85.19842	0.8
91.05476	3.4
93.07052	20.3
95.04984	5.8
95.08622	5.0
97.02883	7.4
97.06538	1.9
98.98480	11.3
103.05481	0.8
105.07017	1.2
107.08602	18.4
109.10155	3.1
115.03941	0.9
121.06480	3.9
123.04442	5.0
133.02881	1.4
135.11700	34.4
137.13254	1.3
151.03894	5.8
153.12752	100.0
154.13103	1.1
155.07156	0.7
163.03938	4.2
166.77953	0.8
181.12242	1.1
233.23293	0.7
303.07349	0.7
313.07135	1.5
319.75388	0.7
352.76746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58849	0.5
53.03936	2.0
55.05512	3.8
57.07074	1.0
59.04990	2.8
65.03930	0.6
67.05517	4.0
69.03436	1.5
69.07075	3.8
70.21362	1.7
71.04600	0.6
71.04996	19.9
73.06561	5.9
79.05495	7.6
81.07060	35.9
83.04984	0.7
83.08607	0.7
85.02908	0.8
85.06558	0.7
89.03896	0.8
91.05480	5.0
93.07047	21.0
95.04978	9.6
95.08614	5.2
97.02909	6.5
97.06533	2.1
97.10150	0.8
98.98471	23.6
103.05437	0.6
105.03410	0.5
105.04514	0.9
105.07020	1.2
107.08596	16.3
109.06510	0.7
109.10155	4.6
111.08053	0.8
115.03934	1.5
117.03395	0.8
119.08616	0.6
121.06509	8.7
123.04434	7.0
123.11739	0.7
124.63144	0.5
125.09624	0.8
133.02870	3.4
133.10095	0.6
135.04436	1.4
135.11696	32.3
137.06027	1.0
147.04475	0.6
151.03908	10.6
151.11134	0.6
153.12753	100.0
154.13055	0.8
163.03911	6.7
174.99214	0.8
176.98918	2.2
177.05452	0.7
191.03427	0.8
193.05029	0.8
271.09576	1.3
299.14911	0.8
313.07114	1.9
331.17242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.96576	1.4
57.07077	0.4
65.03938	2.2
67.05510	0.9
69.07086	0.6
69.82948	1.2
71.96265	0.3
79.05495	0.8
81.07071	0.7
83.08656	0.3
91.05488	100.0
92.05817	0.6
93.07028	0.5
95.04984	0.5
95.08617	1.1
97.99237	0.4
98.98474	30.7
100.98925	0.6
105.07037	0.5
106.05859	0.3
106.06565	5.0
107.08570	0.6
109.06546	0.4
109.10165	0.6
116.99504	0.8
119.08602	0.6
120.08114	3.1
121.10167	0.6
123.11747	0.3
127.03917	0.4
127.81345	0.2
133.10159	0.3
135.11736	0.5
140.01109	0.5
142.52921	0.2
145.10181	0.2
147.11742	0.2
153.07092	0.3
159.13808	0.2
163.11267	0.3
165.07031	0.6
166.07848	1.6
173.13289	0.3
174.99255	1.3
176.98941	3.3
179.08615	0.3
181.10117	4.7
189.16373	0.3
198.12784	10.2
219.57564	0.2
224.10706	0.3
231.14029	0.2
235.17099	0.2
244.12572	0.2
252.99817	0.6
278.67181	0.3
285.22217	0.4
331.08255	0.9
331.18103	23.6
331.22583	2.1
331.26422	0.6
331.30139	0.5
332.18378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1881
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.02682	0.4
54.18911	0.4
57.03416	0.4
67.05494	0.7
69.37393	3.3
71.58194	0.4
79.05505	0.5
81.07063	1.0
83.04954	0.4
83.08614	0.6
93.07033	0.4
95.04966	0.5
95.08611	0.7
98.98470	19.1
107.08575	0.5
109.10145	0.7
121.06557	1.8
121.07273	0.3
127.03844	0.4
174.99287	1.2
176.98953	1.4
177.90169	0.4
212.01630	0.4
228.81757	0.4
252.99785	0.8
331.18802	100.0
331.34122	1.1
332.19064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.4
56.96575	1.8
57.07073	2.5
58.92723	1.2
67.05498	4.1
68.14983	1.0
69.07063	3.1
70.08073	4.0
79.05490	2.9
81.07040	4.5
83.08611	2.5
91.05474	1.7
93.07042	4.4
95.04977	1.7
95.08617	3.9
98.98474	100.0
100.98884	2.2
105.07053	1.6
107.08535	1.4
109.10156	3.0
116.99480	1.8
121.06486	3.9
121.10162	1.8
123.11716	2.0
127.03902	2.0
133.10149	1.5
135.07996	1.8
145.10100	1.7
156.97458	1.6
174.99219	4.3
176.98927	10.1
198.98582	1.9
213.00043	1.2
228.79610	1.0
239.98541	1.0
252.99760	3.3
262.11780	1.2
301.01880	1.6
313.17764	35.1
331.08218	2.3
331.18829	79.1
332.15607	1.1
332.19327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99714	0.8
55.05510	1.3
55.65588	0.7
56.96544	1.0
60.60053	0.9
67.05508	5.5
69.07072	2.0
69.38960	6.1
69.39372	1.3
71.08620	1.0
75.70036	0.8
79.05487	2.6
81.07056	5.5
83.08628	1.5
91.05476	2.4
91.21496	1.0
93.07045	2.4
95.04961	1.5
95.08613	4.5
97.10171	1.0
98.98470	100.0
100.98888	1.9
102.00628	0.8
105.07025	2.7
107.08553	2.5
109.10152	3.7
116.99532	1.5
119.08586	1.1
121.06541	6.3
121.10156	1.9
123.08100	0.8
123.10600	0.8
123.11676	2.8
130.42613	0.9
133.06454	1.2
135.08057	2.1
149.06003	1.0
149.13319	1.0
156.97447	1.5
174.99268	4.4
176.98927	9.3
198.98532	1.9
213.00105	1.3
252.99768	1.9
261.71844	0.9
273.86816	1.0
278.64090	1.0
316.06018	0.9
331.08136	1.8
331.18805	39.6
331.25970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2118
Annotation	oscr#17
Peak:m/z	Relative Intensity
51.21957	0.9
53.03953	0.8
55.01859	1.7
55.05508	19.4
56.96563	12.4
57.07062	3.7
59.04995	1.0
59.80056	0.8
65.03930	3.6
67.05177	1.4
67.05507	18.8
69.03412	2.1
69.07071	8.0
71.04988	1.5
71.08633	1.0
71.58441	1.1
79.05486	3.7
79.97094	0.8
81.07055	7.2
83.04969	1.3
83.08631	11.5
85.06549	12.2
91.05498	6.2
93.07031	3.9
95.08605	4.0
97.10169	19.9
97.99147	2.3
98.98466	100.0
99.50352	0.9
100.98906	2.2
105.07024	3.0
107.08582	7.8
109.10162	2.4
111.08068	1.8
111.11720	1.1
115.05468	1.8
116.99458	1.8
117.06994	1.5
119.04929	1.8
119.08577	2.1
121.06502	1.5
121.10143	2.2
125.09628	19.4
127.03932	1.7
128.06221	1.8
129.06992	1.5
131.04919	7.9
133.06493	1.5
135.08060	2.1
137.05952	1.1
139.11101	1.1
139.53838	0.9
140.01093	1.2
143.08556	2.0
143.10666	3.7
145.10115	1.5
147.04393	13.7
153.09065	2.9
157.06456	1.1
157.10164	1.1
159.04428	6.8
161.05931	1.8
163.03888	4.4
171.04398	2.0
171.10110	1.9
173.05971	2.3
174.99176	4.5
175.03906	85.7
176.04459	1.1
176.98894	10.3
177.05452	9.5
180.50352	0.9
185.13339	1.2
187.03905	27.6
187.07544	3.6
189.05463	9.7
189.11215	36.0
195.08080	1.1
198.06805	1.9
199.03929	9.0
199.07597	1.3
201.05443	4.5
203.03328	5.2
203.06998	2.9
213.05458	2.2
213.09100	1.6
215.07039	3.6
217.04996	1.0
226.06236	9.9
227.07085	2.0
228.07813	3.1
229.08612	25.6
231.10133	9.6
239.06940	1.2
241.08588	24.6
243.10162	18.0
245.08115	3.0
247.09656	41.9
249.14961	1.9
252.99599	1.3
253.08453	1.5
255.10199	1.3
258.15881	0.9
259.09647	10.7
260.65833	1.1
265.10416	1.0
269.66382	3.1
278.66949	5.0
279.17139	1.6
281.17126	1.1
290.17694	2.8
295.13281	5.3
301.19907	1.7
313.14310	11.3
313.20096	1.5
331.08008	3.5
331.11710	2.4
331.15250	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	331.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.01867	2.7
55.05269	0.8
55.05516	9.8
57.03437	1.4
57.07075	0.7
60.21264	0.6
62.06094	0.8
65.03928	1.2
66.81171	0.6
67.05508	18.9
69.07075	9.4
70.95683	1.3
70.96022	1.1
71.05002	5.3
77.03918	1.0
79.05504	12.2
81.07067	24.9
83.04984	2.4
83.08633	3.8
85.02918	0.8
85.06548	4.3
87.04505	0.7
89.79574	0.7
91.05489	13.7
93.07051	27.0
95.04976	4.8
95.08047	1.5
95.08614	16.9
97.06525	3.3
97.10190	4.1
98.98478	26.0
99.08095	4.4
100.98825	0.8
103.05473	8.7
105.04527	1.0
105.07026	5.7
107.04922	0.8
107.08614	12.1
109.06503	0.9
109.10152	7.1
111.08073	1.6
113.02340	0.8
113.09707	1.1
117.07029	1.8
119.08617	4.3
121.06517	100.0
121.10152	18.5
121.11027	1.0
122.06845	1.9
123.08079	1.6
123.11702	1.8
125.09624	3.3
125.17228	0.7
129.07028	2.1
131.08577	4.6
133.10124	4.5
135.11700	13.2
137.09636	1.9
139.11177	3.6
143.08653	1.0
145.10155	2.2
147.08002	0.8
147.11700	3.4
149.13277	3.3
151.03947	2.5
151.11140	1.0
153.01788	0.8
153.12852	0.8
157.10117	0.9
159.11789	2.3
161.13268	0.8
163.11195	1.1
165.12834	0.9
167.03378	0.7
171.11734	1.3
173.11787	1.6
173.13231	1.1
174.99268	1.3
175.14868	1.0
176.98946	2.4
177.12718	0.9
181.12288	1.2
185.11742	2.1
185.13232	1.4
187.07605	1.1
189.11191	0.9
189.16441	0.8
193.08611	0.8
195.13838	1.7
199.02377	1.4
201.14912	0.9
203.07068	0.9
203.12820	3.1
205.08659	1.3
207.10223	1.3
211.09647	1.2
211.34512	0.7
221.08224	0.7
223.09834	1.2
229.10628	0.9
231.06599	1.8
235.09787	1.1
241.19518	1.2
249.07712	2.8
259.20599	6.7
263.09363	0.9
277.21643	18.5
281.10208	1.2
295.22479	6.0
313.23779	0.9
331.13861	1.6
331.19183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.4
55.61874	1.1
56.96558	4.1
57.03443	2.0
57.07082	29.9
67.05503	12.0
69.07068	6.5
70.06585	3.3
70.40950	0.9
71.06915	1.1
71.08635	20.9
71.56799	1.5
75.04485	1.9
79.05500	3.8
81.07061	14.6
82.01443	2.7
83.04954	1.0
83.08620	7.2
85.10192	10.6
86.42403	1.0
87.54028	1.0
88.07638	5.3
90.81998	0.9
91.05463	3.5
92.41140	1.2
93.07044	7.3
95.08614	22.5
96.08951	1.0
97.10162	4.5
97.62502	1.0
98.98473	100.0
100.02498	5.9
100.11313	0.9
100.98873	2.7
102.02216	1.8
102.09164	1.2
104.20815	1.1
105.07049	5.4
106.08665	2.9
107.08547	5.6
109.10155	14.0
111.11736	1.2
116.99503	1.4
118.03520	1.9
119.08628	5.4
121.06506	3.8
121.10142	4.2
123.04063	3.6
123.11681	6.3
124.04159	1.6
125.03852	1.1
127.03881	1.3
131.08527	1.6
133.10155	5.4
135.11705	2.6
137.13258	3.1
140.01064	1.8
141.05092	1.9
145.10115	2.5
147.11739	4.6
151.11147	0.9
157.10181	1.2
159.11725	1.5
161.13255	4.5
173.13205	1.4
174.99220	4.3
175.14812	3.7
176.98927	8.6
181.92424	1.1
200.57906	1.0
203.17833	1.2
216.83354	1.2
239.23729	8.1
248.16806	1.1
252.99849	1.1
257.24808	2.3
276.89920	1.0
277.97281	0.9
280.68665	1.2
287.18564	1.1
289.69232	1.7
290.19626	2.2
298.20154	1.3
298.70197	6.3
299.20206	2.8
310.21024	2.1
310.71170	2.2
313.27554	19.1
313.33139	3.4
315.09949	1.1
331.08206	2.9
331.26419	7.6
331.34012	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	331.2842
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05509	10.7
56.96569	2.6
57.03432	7.4
57.07076	94.0
59.69819	1.5
67.05508	21.4
69.07064	15.6
69.95462	1.4
69.97473	8.3
71.08632	64.7
75.04486	2.7
75.13402	1.3
79.05478	2.2
80.50602	1.4
81.07056	34.6
83.08620	21.8
85.09712	2.9
85.10184	32.4
93.07040	3.1
95.08607	53.7
97.10177	10.9
98.98466	100.0
99.11736	3.0
100.98874	1.9
101.46695	1.5
103.07563	1.4
107.08564	2.7
109.10157	25.2
111.11718	3.5
119.08589	2.3
121.10111	2.5
123.08042	2.0
123.11678	8.9
123.15587	1.5
125.13274	3.1
137.13271	6.3
139.14859	1.7
151.14839	2.3
160.07204	1.6
165.16458	2.6
174.99263	4.3
176.98930	10.2
198.11975	1.6
221.22572	4.1
224.72441	1.5
239.23680	26.7
257.24759	6.0
313.27374	73.3
331.08112	4.3
331.19400	2.0
331.26541	10.8
331.30322	2.9
331.34018	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	331.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.1
56.96557	3.6
57.03429	4.8
57.07084	72.1
67.05515	18.3
69.07074	14.3
70.06603	7.9
71.06911	2.0
71.08642	50.6
71.58853	1.4
73.17764	1.4
75.04483	2.6
79.05481	2.2
81.07063	25.0
83.08630	19.5
85.06561	1.3
85.09719	1.9
85.10192	27.9
88.07629	10.0
89.07965	2.3
91.05492	2.3
93.07022	2.1
95.08614	43.0
97.10182	8.7
98.98478	100.0
99.11757	1.7
100.98863	2.4
102.09157	2.1
106.08698	3.2
107.08559	2.3
109.10164	20.4
111.11722	2.9
119.08601	2.0
123.11713	11.4
125.13298	2.9
135.11736	1.9
137.13266	4.7
151.14812	2.5
174.99229	5.1
176.98933	10.3
205.12354	1.3
215.02309	1.3
221.22789	1.9
225.98917	1.3
239.23753	19.8
252.99551	2.2
257.24786	4.6
285.74753	1.4
313.27414	59.9
313.33011	5.5
331.08188	2.6
331.34024	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
51.38131	1.2
52.53071	1.4
55.05515	14.1
56.96552	1.6
57.03444	7.3
57.07079	100.0
64.04816	1.4
67.05167	2.9
67.05509	32.7
69.07071	16.7
70.06598	1.8
71.08636	75.6
75.04489	2.7
79.05502	2.3
81.07061	40.5
83.08621	29.0
85.06564	1.4
85.10186	40.6
88.07621	2.7
91.05479	1.9
93.07044	5.1
95.08614	62.1
97.10163	15.2
98.98471	90.9
99.11724	3.1
100.60912	1.3
100.98907	2.5
106.08696	1.8
107.08524	2.2
109.09461	2.5
109.10165	28.8
111.11745	3.5
113.13226	1.4
116.99557	2.0
118.01479	1.5
121.06496	3.0
121.10110	1.9
123.08085	1.4
123.11700	11.6
125.13297	3.7
127.03947	2.9
130.76883	1.3
133.10127	1.4
135.11734	2.2
137.13261	6.8
151.14825	2.2
165.16376	1.5
174.99252	3.2
176.98936	7.1
221.22681	2.0
239.23703	22.1
251.99625	1.4
252.99622	1.9
257.24814	5.8
286.21991	1.4
313.27386	86.0
313.33026	3.3
331.08087	3.0
331.34003	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	332.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	29.2
61.96756	2.3
67.05468	2.1
69.90603	5.5
69.91036	7.6
70.69104	2.2
83.08629	2.1
84.96037	8.6
85.06535	2.9
87.01225	2.4
91.05493	6.0
93.07066	2.3
98.21349	5.2
98.97591	100.0
98.98457	8.7
110.97581	59.7
112.99137	16.0
116.98626	32.0
121.06511	13.0
122.06879	12.8
128.98611	43.3
131.00183	12.8
134.99667	5.8
135.08044	10.7
138.35504	2.3
140.00194	2.6
143.00227	2.6
144.98044	5.8
146.99661	12.6
149.01225	3.0
151.68411	2.2
152.00253	3.9
158.99695	11.9
170.99660	45.7
171.01050	3.1
173.01256	10.8
177.00713	12.5
189.00726	78.0
191.02237	2.9
198.12631	2.4
207.01730	11.0
212.02296	8.0
213.00720	4.0
231.01816	24.0
249.02843	33.2
267.03970	7.9
272.04425	3.6
291.03891	42.6
291.08862	3.0
295.28726	2.4
309.04974	27.3
332.06259	3.3
332.18649	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	332.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74832	1.0
52.87872	0.7
53.03933	2.8
55.01864	2.4
57.03422	3.6
61.02917	4.6
69.03436	10.3
70.83273	0.9
70.83620	2.0
71.04990	1.4
73.02927	1.8
79.05510	6.6
81.03403	4.2
81.07068	1.9
85.02912	43.2
85.03432	2.2
86.09696	1.9
91.03957	2.5
91.05490	7.5
95.04980	10.2
97.02903	11.4
98.98461	3.7
99.04488	1.4
103.05452	1.0
107.04964	32.3
109.02880	5.7
109.06464	1.5
119.04923	4.4
121.06503	2.4
123.04445	34.6
123.05470	2.8
127.03948	9.2
131.04984	1.1
132.85176	1.1
135.04431	100.0
136.06203	3.9
137.05980	31.6
145.04990	19.1
153.05478	54.9
153.06746	2.2
163.06018	1.8
173.06012	1.2
180.08693	1.7
185.16562	1.0
201.09277	1.4
202.59741	1.0
211.07466	1.8
229.08649	3.0
261.18826	1.0
332.13480	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	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03954	1.5
55.01870	2.8
56.96568	3.0
57.03444	5.8
61.02924	7.3
66.51224	1.2
67.05494	2.7
69.03432	17.1
70.95641	2.2
71.04979	2.2
73.02911	5.7
75.77304	1.1
79.05524	1.7
81.03419	5.2
85.02910	42.4
86.03199	1.1
87.04471	3.3
91.03948	3.1
91.05500	1.3
97.02901	16.6
98.97593	4.8
99.04459	3.8
101.00849	2.2
101.02337	1.2
104.10751	15.0
106.06564	4.7
107.04961	4.7
108.08125	100.0
109.02873	4.3
113.00900	1.1
115.02397	2.0
121.06481	5.1
123.05481	1.6
123.06811	4.4
124.07599	15.7
127.03928	12.2
133.03497	1.6
134.06021	15.1
135.04442	5.2
136.06131	1.4
136.06569	1.2
136.07600	15.8
137.06058	1.6
143.01909	2.6
145.04965	13.6
150.05519	3.6
152.07082	78.4
153.05469	17.8
154.08730	1.8
157.03416	1.7
159.05040	1.7
161.05589	6.7
163.02486	1.1
169.01816	1.2
170.06058	3.4
170.08147	15.5
175.02597	1.2
175.04648	1.1
183.03984	1.6
184.86749	1.0
189.00726	1.2
191.03903	1.2
219.01866	1.9
220.04071	1.5
226.04218	1.3
242.08170	1.9
245.05194	1.9
251.08670	1.5
291.04056	2.4
314.12323	37.6
321.10300	5.2
332.13422	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07465	0.6
55.05516	6.5
56.73240	0.7
57.07076	0.9
62.06094	100.0
62.86483	0.8
67.05510	8.0
69.07079	6.0
70.75423	2.1
71.05002	0.8
78.40997	0.6
79.05498	3.5
81.07058	10.0
83.08641	4.6
85.02915	0.9
85.06556	1.0
86.28156	0.6
91.05500	2.6
93.07065	4.4
95.08609	9.8
97.06521	1.5
97.10216	2.0
98.98493	3.1
103.05495	1.2
105.07056	1.5
107.08614	1.7
109.10197	2.7
119.08611	1.8
121.06519	12.7
121.10186	2.1
122.06852	8.0
123.11834	0.7
133.10176	1.8
135.11737	2.3
137.13306	1.1
147.11702	1.4
213.09267	0.9
235.20703	0.8
278.24911	1.5
296.25861	40.0
297.24380	2.2
314.26904	76.1
315.27347	0.7
332.15009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.5
61.02905	1.4
66.06313	1.0
68.99770	2.5
69.03420	4.7
69.97433	5.6
74.06391	1.2
85.02908	3.1
87.00829	3.3
91.05485	3.3
103.05476	1.2
105.07073	2.0
107.04897	1.1
110.09676	2.4
115.05465	8.9
117.07022	8.1
121.06550	1.7
128.06192	7.1
129.07021	11.1
131.04924	8.2
131.08572	3.6
138.09111	2.5
141.07007	13.1
143.08546	2.8
144.05679	2.6
145.06505	11.9
145.10135	1.5
146.06122	1.1
147.04428	1.9
149.05927	1.6
152.06195	2.7
153.07008	19.1
154.07800	8.7
155.04918	5.0
155.06018	2.0
155.08563	30.3
157.06505	22.8
158.07268	4.1
159.08073	6.5
165.07005	29.1
168.05716	10.3
169.06499	9.3
170.07283	1.8
171.08064	3.9
173.06001	43.3
173.09615	1.8
174.11244	2.0
175.07533	2.4
181.06480	3.1
182.07307	6.2
183.08067	64.1
185.06062	6.1
187.07611	5.8
188.07149	1.2
189.05515	2.3
193.06488	4.3
197.05891	1.1
199.07567	5.5
201.07268	2.5
201.09125	41.2
203.07037	1.7
211.07559	75.9
212.07857	1.2
215.07120	1.7
216.51343	1.2
217.08662	1.7
229.08617	100.0
230.09039	1.8
247.09660	11.0
297.17969	1.6
315.08664	3.3
333.09763	9.7
333.13638	1.8
333.20154	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1333
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
51.28300	0.8
53.03928	0.9
55.05499	1.2
69.07064	1.1
71.58563	1.0
78.04697	1.6
78.17351	0.8
79.05485	1.9
81.07045	2.2
83.08617	1.0
85.02888	0.9
91.05481	2.5
94.04176	2.9
95.04940	1.2
95.08602	2.3
98.45615	0.9
98.97573	2.0
98.98459	3.7
103.05453	1.5
105.06986	1.7
106.04169	1.7
107.08632	0.9
109.10166	1.2
119.04937	1.1
119.08514	1.0
121.06510	2.0
122.03658	6.5
123.04436	7.4
123.11678	1.0
124.05186	2.7
127.03903	0.9
131.05000	0.8
135.04370	0.8
137.05986	90.0
147.04437	1.4
149.06006	1.0
151.03865	1.4
151.07494	1.2
152.04771	1.2
153.05432	1.0
153.06953	1.3
155.08525	1.5
163.07509	0.9
165.06996	3.5
167.07053	100.0
181.06490	2.4
181.08565	1.3
183.08058	3.1
185.05951	1.2
185.09618	0.9
187.14726	1.1
196.05240	1.2
197.02977	0.8
199.07571	1.4
199.14845	1.1
209.06030	0.9
211.07570	3.0
212.04716	1.1
213.05481	1.7
219.01801	1.0
225.05638	1.0
227.07079	4.7
239.07051	1.6
243.10181	1.8
255.06529	3.2
257.35342	0.8
271.09702	2.5
283.09720	2.1
288.09933	36.1
301.10748	0.9
303.12277	8.0
315.12265	1.7
333.20636	2.2
333.25729	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1333
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
55.01874	0.6
61.61199	0.4
65.03958	0.6
65.16547	0.3
66.04711	0.7
66.49235	0.3
67.05506	0.8
71.57993	0.7
78.04706	2.9
79.05493	1.7
81.07062	0.9
83.04980	0.3
85.33506	0.4
91.05489	2.2
93.07069	0.7
94.04179	2.1
95.04943	0.9
95.08662	0.5
98.98469	1.9
99.04449	0.4
103.05471	0.9
105.06971	0.7
106.04173	1.4
107.04949	1.1
107.08604	0.6
109.06503	0.5
111.04442	0.6
117.06925	0.3
119.04984	1.0
119.08560	0.5
120.05202	0.4
121.06500	2.5
122.03648	7.8
122.04477	0.6
123.04430	7.2
123.11737	0.4
124.05202	2.3
129.06935	0.4
131.04935	1.3
134.03642	0.5
135.04422	0.4
137.05984	84.8
138.06291	0.5
147.04391	1.8
149.05991	0.8
151.03932	1.6
151.07539	1.7
152.04651	1.7
152.05898	0.3
153.05435	1.1
153.07002	1.6
155.08580	0.9
161.05959	1.2
163.07552	1.0
165.05559	0.8
165.07007	2.5
167.07050	100.0
168.05705	0.9
168.07448	0.6
169.06512	0.5
170.80777	0.4
179.07021	0.7
181.06494	2.1
181.08527	0.6
182.07315	0.5
183.08084	3.0
184.05246	0.9
185.06015	0.8
195.08095	1.1
196.05157	0.7
197.06001	0.4
198.06836	0.5
199.07539	1.8
207.04471	0.5
209.05891	1.0
211.07550	3.3
212.08144	0.4
213.05429	1.0
213.09027	0.4
215.10568	0.7
223.03838	1.3
223.07599	0.7
226.06169	0.5
227.07021	4.4
239.06989	0.7
241.04906	0.5
243.10086	1.8
245.08087	0.7
253.08638	0.6
255.06567	2.4
255.10104	0.7
271.09665	3.0
273.07578	0.6
283.09549	2.4
288.09933	34.8
289.10403	0.5
301.10626	0.8
303.12283	8.4
315.12314	2.3
315.19754	0.5
333.12546	1.4
333.20950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65289	2.0
71.04998	1.0
78.04323	0.6
78.04693	3.4
79.05510	1.6
81.03443	0.7
81.07062	1.2
83.04992	0.7
85.02908	1.3
91.05491	1.8
94.04205	2.7
95.04965	0.8
95.76632	0.6
98.97557	0.7
98.98481	2.1
103.05434	0.7
105.07055	1.0
106.04189	2.1
106.78530	0.7
107.04954	1.1
115.02815	0.6
119.04990	0.9
121.06539	2.0
121.82331	0.7
122.03664	6.6
123.04443	7.6
124.05212	2.0
132.48868	0.8
137.05984	90.6
147.04419	1.7
149.06039	1.6
151.03891	1.1
151.07578	1.6
152.04651	2.5
153.05534	1.7
153.06972	1.3
161.05974	1.9
162.91486	0.7
163.07562	1.2
165.07002	2.6
167.07048	100.0
168.07361	0.9
169.06422	0.7
181.06476	1.8
183.08072	2.5
183.48323	0.6
193.06439	1.0
199.07518	0.9
201.05507	0.7
209.06036	1.4
211.07527	3.0
223.03928	1.1
227.07024	3.5
237.05406	1.4
238.49352	0.8
240.87970	0.9
243.10208	1.7
255.06497	3.1
255.10258	0.8
265.04968	0.8
269.07687	0.8
271.09586	2.5
283.06232	1.1
283.09668	2.7
288.09924	22.3
299.88809	0.7
301.10632	0.9
303.12271	6.5
315.12274	2.4
333.13797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1334
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
62.49960	0.5
67.46279	0.5
71.58336	0.6
71.58704	0.9
72.41369	0.6
78.04716	3.6
79.05503	1.2
91.05503	2.4
94.04196	2.5
95.04974	1.2
96.05772	0.6
98.98443	1.1
101.76038	0.5
103.05505	0.8
105.07034	0.8
106.04184	2.4
107.04953	0.8
109.02909	0.8
119.04971	1.2
120.96033	0.5
121.06542	0.8
122.03652	9.2
123.04440	6.9
124.05235	2.3
131.04935	0.7
134.03659	0.8
135.04443	0.6
136.69196	0.6
137.05984	92.6
139.35490	0.6
147.04448	1.6
149.06023	0.9
151.03914	1.8
151.07539	1.1
152.04668	1.6
153.05531	1.5
153.07079	1.1
161.06087	1.1
165.05475	1.0
165.07016	2.6
167.07051	100.0
168.05699	0.9
168.07431	0.9
177.05441	0.9
179.06958	0.7
181.06458	1.1
183.08043	2.6
185.05988	0.8
191.07045	0.7
195.08136	0.6
205.13120	0.6
209.06041	0.6
211.07588	2.5
213.05487	0.7
221.05818	0.6
223.03940	1.1
225.09146	0.8
227.07091	2.9
228.07695	0.6
237.05493	0.6
239.07054	1.0
241.05109	0.6
243.10179	1.3
244.00906	0.5
255.06599	1.9
255.10069	0.9
257.08316	0.5
271.09705	2.7
272.10464	0.8
283.09625	3.0
288.06662	1.2
288.09924	24.3
303.12274	6.7
315.12280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1335
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
55.05479	1.3
57.16845	0.9
67.05497	3.0
69.03434	2.6
69.07064	3.0
69.73665	6.1
77.04998	0.9
78.04713	2.6
79.05501	4.0
81.03399	2.1
81.07051	4.4
83.04966	1.3
83.08618	1.3
85.02914	2.0
85.37233	0.9
85.51487	1.2
91.05508	6.2
93.07057	4.3
94.04182	2.5
95.04982	2.0
95.08604	3.3
97.02897	2.5
97.06576	1.1
98.97588	3.1
98.98464	12.0
103.05532	1.5
105.07048	3.1
106.04169	1.9
107.04948	2.1
107.08611	2.2
107.66810	0.9
109.02885	3.8
109.10159	1.9
111.04435	1.8
117.07008	1.3
119.04951	2.0
119.08593	2.5
121.06527	6.1
121.10178	1.5
122.03651	8.1
123.04454	7.7
124.05206	2.0
127.56319	1.0
129.06934	1.1
131.04921	1.9
131.08571	1.5
133.06483	1.1
133.10132	1.9
135.04433	1.8
135.11716	1.2
137.05991	91.6
141.09177	1.7
143.08566	1.6
145.10126	2.0
147.04405	2.7
147.11687	1.4
151.03986	1.7
151.07587	1.3
152.04654	2.1
153.05531	2.3
153.06953	2.5
155.08556	2.6
159.07932	1.1
159.11787	1.4
161.06050	1.5
163.07571	1.3
165.05664	1.6
165.07030	3.7
167.07056	100.0
171.06429	1.0
176.98924	2.9
177.05516	1.7
179.07071	1.6
181.06497	2.9
181.08582	1.7
183.08096	4.0
184.05182	1.7
185.09444	0.9
195.08136	1.2
197.06000	1.8
198.06786	1.0
199.07559	2.5
201.05399	1.1
203.30815	1.0
207.04520	1.0
211.07552	3.8
213.05469	1.4
213.09006	1.3
223.03967	1.5
227.06989	5.9
239.07068	1.3
241.08575	1.2
243.10175	2.4
255.06639	3.4
271.09760	3.6
273.07550	1.3
273.11313	1.7
288.09949	42.7
297.18527	1.3
301.10788	4.1
303.12326	9.5
315.12277	2.3
333.11987	1.9
333.17068	1.5
333.20355	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	333.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14262	0.8
53.03952	2.0
55.01855	1.5
55.05260	1.2
55.05509	12.9
55.56322	0.8
55.63940	0.9
56.12700	0.8
57.03437	2.2
57.07070	2.7
61.02937	0.9
67.05499	6.9
69.03432	4.9
69.07072	4.5
70.06586	2.4
70.68299	1.7
70.76093	0.7
71.04991	6.6
72.57677	0.7
73.02913	1.3
73.06530	1.0
74.06039	0.9
76.44105	0.7
79.05502	6.7
81.03421	1.7
81.07059	13.0
83.04985	20.0
83.08629	4.4
84.04531	0.7
85.02910	12.2
85.06544	100.0
85.86080	0.7
86.09735	1.7
91.05471	5.1
92.07543	0.8
92.59535	0.9
93.07050	12.1
95.04956	1.7
95.08607	9.1
97.02898	4.7
97.06538	6.3
97.31686	0.8
98.98467	3.9
99.04441	1.3
101.06043	1.0
103.03952	1.5
103.07581	1.2
105.07034	5.4
107.04969	1.1
107.08608	7.9
109.02882	1.7
109.06544	3.9
109.10140	5.8
111.04479	1.1
111.08099	7.6
113.09637	0.9
117.06966	0.8
119.04898	1.4
119.08566	3.5
121.06538	2.1
121.10146	6.3
122.93233	0.9
123.08045	2.6
127.03927	2.1
129.05550	0.8
129.06708	1.4
131.08574	4.2
133.04959	1.1
133.06502	0.9
135.08003	0.9
135.11688	5.1
137.05949	10.1
137.09622	1.6
139.11203	11.0
143.08522	1.3
145.04977	1.0
145.10120	2.3
147.08066	2.6
147.11755	1.0
149.05940	0.8
149.09587	5.7
153.09096	13.5
153.12747	11.8
155.08543	1.0
157.07651	1.0
165.12752	3.5
167.07071	10.1
167.10695	16.8
171.08070	1.0
171.10133	5.8
171.11404	1.0
173.09608	2.2
175.07492	1.0
177.12787	1.1
201.12929	0.9
207.13896	1.0
219.13809	0.9
226.06181	1.1
231.08623	4.2
231.13701	1.1
249.15099	1.2
251.07800	0.8
255.06607	0.9
257.00986	1.1
261.14813	1.6
279.15973	1.7
288.09915	1.0
297.13342	1.1
297.16949	1.5
315.09897	2.5
315.14282	1.0
315.17834	2.0
333.07156	0.7
333.10944	4.9
333.14569	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	333.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96477	26.4
56.96793	6.3
57.07004	0.6
66.03546	0.6
67.05442	1.2
69.06991	0.9
69.73105	1.3
69.73528	2.2
71.77374	0.6
71.95160	5.7
72.95950	1.8
72.96346	0.7
74.97518	1.8
80.99721	0.7
81.06976	1.4
84.95931	3.2
93.06982	1.1
95.08551	1.2
97.96708	3.1
97.99107	0.6
98.97504	1.2
98.98360	7.4
105.00081	1.2
107.08513	0.8
109.10156	0.7
110.97580	13.5
111.04268	0.5
115.97797	1.2
116.98528	0.7
119.08508	0.6
123.01085	0.9
128.98622	18.7
129.06000	0.6
131.00072	0.9
134.99451	0.6
137.02640	2.1
143.00140	2.8
146.99664	8.3
151.00644	0.8
152.00156	1.3
155.03688	0.8
157.01668	1.0
161.01219	3.5
161.04742	0.8
164.12885	0.6
165.00754	1.1
165.02122	0.6
167.03780	0.7
169.01697	0.7
169.05362	0.7
170.01134	1.0
171.03217	1.7
175.02715	1.2
176.98776	0.7
185.04770	1.3
189.00612	0.7
189.04288	1.7
197.04782	0.9
199.06462	0.6
201.04208	0.6
203.05864	1.3
205.01804	0.7
227.09538	1.2
241.11115	2.2
241.66200	0.7
243.08977	1.3
245.10583	1.4
249.07964	0.7
259.12161	0.8
263.09601	5.0
264.10248	0.8
265.11084	1.4
270.11261	0.6
277.11188	1.5
282.11508	0.9
300.66187	0.6
303.12820	3.4
313.14954	2.1
315.16330	78.7
316.16534	1.2
317.14343	0.7
321.13702	1.0
331.15945	3.3
332.65747	1.3
333.17389	100.0
334.17801	1.2
337.65442	0.6
351.18472	14.3
356.19006	26.3
357.19479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1911
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03944	1.9
55.01866	3.2
55.05505	5.5
56.96558	3.1
57.03427	4.9
59.05000	4.0
61.02926	5.6
67.05497	5.6
69.03436	10.4
69.07066	7.1
70.06573	2.7
70.23932	3.6
71.04992	34.2
72.08149	1.5
73.02905	2.4
73.06552	5.1
73.51445	1.2
79.05492	7.8
81.03417	6.3
81.07059	34.9
83.04996	2.4
83.08617	1.5
84.04509	4.5
84.08142	3.6
84.95973	1.4
85.02909	50.9
85.06534	5.6
86.09733	1.6
87.04455	1.4
91.05489	8.2
93.07048	21.8
95.04987	3.2
95.08617	8.2
97.02899	13.1
97.06516	4.0
98.06033	1.1
98.97588	3.6
98.98470	13.2
99.04464	1.8
99.08103	1.4
103.05452	2.1
103.07600	2.5
105.07021	3.6
107.08606	15.3
109.02893	6.0
109.06547	1.6
109.10146	6.9
110.09698	1.6
110.31373	1.2
111.08045	1.6
112.11238	1.9
117.07011	1.6
119.04951	1.3
119.08585	3.4
121.06528	11.3
123.04482	1.4
123.05591	2.6
123.08054	2.1
123.11704	12.3
127.03918	6.8
127.11192	4.8
133.06517	1.4
135.04439	1.2
135.08128	1.3
135.11690	32.2
136.06218	2.3
137.06015	4.8
138.09138	1.8
141.12753	52.7
143.08565	1.2
145.02806	1.7
145.04990	7.3
147.08067	1.9
147.11708	1.9
153.12756	100.0
155.14337	2.2
163.03894	5.7
171.13817	67.4
173.06023	1.6
176.98911	1.5
189.12729	2.2
195.04990	1.4
207.13791	2.7
211.07562	1.4
213.07924	1.9
221.02887	1.6
229.08534	2.0
229.10608	2.5
234.22270	1.3
237.04356	4.6
255.05307	1.7
260.05695	1.2
297.06531	3.9
297.18036	1.6
315.17935	1.3
333.15009	3.6
333.19843	1.8
337.43048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	21.2
55.05501	21.5
57.03428	14.1
57.07068	18.9
59.05003	7.0
60.18258	6.6
61.02914	11.4
69.03429	21.3
69.07053	17.1
69.73740	39.5
69.74136	12.6
70.06555	10.7
71.05000	60.9
73.02908	13.7
79.05500	11.6
81.03452	8.8
81.07059	40.1
83.08589	9.1
83.44055	7.4
85.02906	82.0
91.05473	28.4
93.07046	56.9
95.04955	11.8
95.08608	46.1
97.02870	14.6
97.06573	10.3
103.03913	10.2
104.62287	6.7
105.07062	39.6
107.08609	52.1
109.06514	15.5
109.10184	7.5
111.08107	7.3
112.66521	8.1
115.05439	11.7
117.07045	13.9
119.08598	45.4
121.06467	10.3
123.08074	11.3
127.03878	11.7
128.06198	6.8
129.07010	14.3
131.04909	8.6
131.08556	16.7
133.04945	16.1
135.11719	38.6
137.13242	22.8
138.96230	7.6
143.08566	7.4
145.04968	13.5
145.06470	11.0
145.10127	21.4
147.08063	21.8
149.09636	12.0
151.11153	9.9
153.06949	14.3
153.12756	100.0
155.08539	21.5
157.06494	14.7
159.08131	8.9
165.06972	24.3
165.12790	64.8
173.06021	35.1
173.09651	23.2
173.13304	9.0
175.07596	14.4
177.12802	11.2
183.08083	53.1
189.12772	17.0
193.06509	9.4
201.09137	39.8
207.13760	12.3
211.07573	49.7
219.13686	11.2
229.08636	79.5
247.09770	9.7
261.14835	11.8
279.15985	21.8
297.16983	16.1
300.04486	7.9
315.18008	20.6
333.09625	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	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82802	3.3
55.01860	5.3
55.05514	18.8
55.73238	3.2
57.03438	9.2
57.07066	16.6
67.05505	5.6
68.05024	5.1
69.03423	10.6
69.07075	14.5
69.66746	20.5
70.06599	5.1
71.01375	4.3
71.05003	20.5
72.08157	43.8
73.02909	6.5
73.06567	5.4
75.87009	3.6
79.05482	7.4
81.07068	17.8
82.06570	4.5
83.08611	5.7
84.04508	48.7
85.02914	39.5
86.09689	13.3
87.04453	5.7
91.05461	11.1
93.07053	25.3
95.04972	7.5
95.08599	20.8
97.02876	12.1
97.06541	7.2
98.20847	8.0
98.98442	10.7
102.05546	7.2
105.05678	4.8
105.07020	15.7
106.33309	3.6
106.37668	3.7
107.08607	22.4
109.02892	5.7
109.06577	7.0
109.10157	7.8
110.09689	73.4
110.70155	3.5
111.08112	4.7
115.03927	6.2
116.01692	6.2
119.08584	18.2
121.06527	8.9
125.44077	3.3
127.03930	7.8
128.10686	3.8
131.08586	8.3
133.04984	8.2
133.06482	6.5
135.11671	21.6
137.13260	10.4
138.09152	97.7
145.04962	4.8
145.10083	5.6
147.05702	3.9
147.07994	6.7
149.26474	3.5
151.11169	4.8
153.12743	62.3
154.89949	4.3
155.08528	7.9
155.14253	4.6
156.10208	37.0
157.06531	4.4
159.08086	5.2
165.07059	4.5
165.12773	30.8
171.13757	7.3
173.05975	10.8
173.09677	10.4
173.13284	4.1
174.11276	100.0
177.12700	5.1
183.08031	12.4
184.00684	3.6
201.09059	10.3
202.98938	3.6
203.04869	6.8
211.07507	7.0
214.37254	4.2
219.13943	5.9
229.08659	15.5
243.13469	7.1
251.17702	4.9
261.14948	8.4
279.15823	3.8
297.18121	70.3
315.19073	27.1
333.20193	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.05502	5.3
57.03420	5.3
67.05499	6.0
69.03427	6.3
69.07058	5.4
70.14708	9.7
75.02607	3.0
76.70411	3.3
79.05495	13.6
81.07063	12.5
84.08134	3.7
85.02911	12.9
91.05493	17.2
93.07053	76.4
95.08633	23.0
97.06565	4.2
98.98454	7.1
102.07261	3.1
105.07046	9.0
106.07398	4.1
107.07874	5.3
107.08598	100.0
109.06532	3.9
109.10168	4.3
119.08613	4.8
121.06493	33.7
133.10138	10.7
133.39815	3.7
134.10487	13.3
135.11707	69.1
147.11659	3.5
147.48044	3.5
150.87730	3.1
153.12773	19.5
164.75023	3.5
194.12640	6.3
197.62717	3.5
212.13765	3.1
341.06238	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	333.1907
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03945	10.9
55.01865	15.8
55.05513	29.1
57.03429	15.5
57.07067	19.7
59.05002	7.5
61.02913	9.8
64.88153	5.6
67.05506	12.1
69.03432	22.3
69.07053	26.7
69.55732	42.5
71.04994	62.0
73.02927	14.6
79.05493	19.4
81.03387	14.7
81.07065	49.2
83.08620	8.3
85.02909	94.2
87.04485	7.3
91.05505	27.7
93.07059	63.1
95.04962	12.2
95.08595	32.3
97.02913	27.9
97.06535	25.3
98.21537	7.9
103.03934	10.6
103.05467	5.7
103.76345	5.6
105.07033	42.0
106.29357	5.3
107.08609	53.4
109.02896	8.9
109.06503	19.3
109.10175	25.4
111.08075	8.5
115.03928	12.1
119.08585	53.4
121.06511	48.6
122.06834	18.1
123.08070	16.2
125.05965	5.8
127.03906	12.6
127.11145	7.1
129.05441	5.7
131.08563	18.2
133.04991	20.9
133.06439	6.4
133.10114	11.1
135.11693	49.1
137.06018	5.8
137.13268	16.0
143.08565	10.1
145.04962	11.5
145.10146	19.2
147.08055	19.9
147.11739	5.8
149.09645	11.0
151.11140	6.3
153.05470	10.3
153.11655	9.8
153.12773	100.0
159.11682	9.6
163.11208	10.8
165.12798	70.3
173.09605	20.5
173.13231	8.4
175.07579	8.6
177.12735	16.7
189.12744	14.7
191.10655	10.0
219.13805	17.2
261.14877	26.2
265.28253	6.6
279.15952	16.4
285.05609	6.6
297.16998	11.1
315.18011	35.3
333.15234	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	333.1907
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
55.05503	2.0
57.07038	0.8
59.04993	2.6
67.05490	1.5
69.03436	1.0
69.07056	3.3
70.71313	2.4
71.04997	17.9
73.06562	4.0
79.05499	6.1
81.07063	29.1
83.08635	0.8
85.02897	3.2
91.05467	2.4
93.07047	17.5
95.08610	2.3
97.06503	1.8
107.08602	12.4
109.10165	2.0
111.08073	1.0
119.08668	0.8
122.17046	0.7
122.34031	0.8
126.37194	0.7
135.11710	27.1
153.12752	100.0
169.08742	0.7
261.05292	0.8
291.79190	0.7
310.98959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50803	0.7
55.05516	8.5
56.05020	3.1
57.03438	1.2
58.99583	0.9
61.02922	0.9
61.49720	0.7
63.06580	0.7
63.48082	0.7
63.93700	0.6
67.05499	1.3
68.05029	4.6
69.03424	2.2
69.07061	2.5
69.72823	0.6
70.06590	0.9
71.04984	3.2
71.55848	1.1
72.08160	38.0
73.06571	4.2
81.03407	1.7
81.07071	4.5
82.06564	2.8
83.04949	1.0
83.08611	1.5
84.04510	50.4
85.02909	9.1
85.06571	0.7
86.09704	12.7
87.04456	0.9
90.09182	2.2
91.05522	1.8
93.07053	5.5
93.12328	0.6
94.06554	2.0
95.07341	0.7
95.08589	3.2
96.04499	2.3
96.08122	2.3
97.02905	1.1
97.06515	1.1
98.98457	2.1
100.01645	0.7
100.02220	2.5
102.05560	6.5
105.07002	1.1
107.08604	1.5
109.10188	1.2
110.09691	65.8
115.05460	1.0
116.01676	2.9
117.07040	0.7
120.32543	0.8
121.06485	1.9
123.11724	1.2
129.07007	0.9
132.10210	4.2
135.11690	3.1
137.13309	0.8
138.09152	80.1
140.14339	1.4
141.12756	4.7
144.01169	1.8
145.04962	0.9
145.06456	1.0
153.06966	1.5
153.12727	6.5
155.08539	2.3
156.10217	35.0
157.06537	1.3
162.02179	1.2
165.06993	2.2
165.12697	0.9
166.08627	2.7
168.05707	1.0
171.13855	6.2
173.05972	2.2
174.11276	100.0
183.08072	2.9
185.60863	0.7
187.07480	0.9
197.12907	4.2
201.09113	2.9
203.04860	6.2
211.07587	2.7
223.17941	0.8
229.08560	5.6
243.13437	6.3
247.09654	0.9
251.17641	5.9
269.18594	1.2
272.16187	0.7
287.19574	0.7
297.18115	61.5
304.48550	0.8
315.19156	24.5
333.20227	85.9
334.20337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38968	0.4
54.57984	0.4
57.03423	0.5
66.00615	0.4
68.32413	0.5
69.07076	0.5
70.29362	1.8
78.19975	0.5
86.09717	0.6
93.07041	1.0
97.02897	0.4
98.21270	1.0
98.98494	2.3
105.07055	1.6
108.18298	0.5
112.96684	0.4
113.96430	0.7
121.06421	0.5
121.10179	0.5
128.10455	0.4
133.10176	1.2
145.10188	0.7
251.12379	0.5
333.20395	100.0
334.20691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05701	0.7
55.05522	1.8
56.96578	7.4
64.45190	0.7
67.05512	2.4
69.07065	2.4
70.40897	3.0
75.00109	0.9
78.78439	1.0
79.05501	1.8
81.07074	3.4
88.07651	0.9
91.05480	1.7
93.07066	3.2
95.08625	3.4
97.56351	0.8
97.99190	1.7
98.97572	1.8
98.98483	9.9
105.07065	1.9
107.08587	3.8
109.06553	1.1
109.10206	1.9
111.08100	0.9
119.08604	2.6
121.06533	1.4
121.10160	2.4
122.10487	0.8
133.10138	1.7
135.11671	1.4
137.04036	1.0
137.05968	2.4
143.08453	1.0
145.10150	1.9
159.11751	1.1
161.13263	1.3
167.07098	1.4
175.14883	1.3
176.98994	2.1
185.13376	0.9
213.16464	1.0
231.80341	0.8
260.15155	0.9
271.14661	1.9
280.15189	2.2
288.09680	1.0
300.66830	2.7
310.67773	1.2
312.17212	1.3
315.19226	0.9
333.20432	100.0
333.24219	8.5
333.31720	2.1
334.20923	1.4
334.29520	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87035	0.5
56.96560	1.2
68.17397	0.5
71.49787	0.9
71.94092	0.7
72.93809	0.7
74.61671	0.5
81.07037	1.0
93.07042	1.1
95.08623	0.7
98.98467	5.3
105.07044	0.7
107.08604	1.1
109.10159	0.7
111.01093	0.5
112.96725	1.2
113.96404	1.8
119.08565	1.3
121.10146	0.7
131.04848	0.4
131.97453	1.0
133.10205	0.5
137.06009	2.1
150.56171	0.4
151.15213	0.5
154.98982	0.7
171.11652	0.6
201.09775	0.6
254.41826	0.5
257.12347	0.8
299.22232	0.5
315.19000	0.6
333.20377	100.0
334.20676	0.9
351.19614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.4
58.15645	0.5
58.76365	0.4
58.84348	0.4
60.19416	0.5
61.07161	0.4
69.33076	0.4
70.60342	0.5
70.60693	1.5
79.05514	0.5
89.58383	0.4
91.05508	0.6
93.07034	0.9
95.08604	0.8
98.97568	0.5
98.97813	0.5
98.98471	6.0
105.85022	0.4
121.10008	0.5
122.18820	0.4
161.09641	0.5
176.98936	1.8
195.09941	0.8
231.10754	0.8
232.94664	0.5
287.11801	1.8
315.18893	0.4
333.20374	100.0
334.20700	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2642
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
54.59255	2.6
55.01857	2.7
55.05512	19.7
56.96571	2.5
57.03438	4.8
57.07071	2.7
64.59049	2.4
67.05509	65.6
69.07074	26.1
70.33317	10.0
70.33663	2.7
71.04980	3.4
71.19315	2.5
77.03912	2.5
79.05484	20.8
81.06571	4.8
81.07058	78.4
83.05002	3.4
83.08640	12.1
83.97961	2.2
85.02894	3.2
85.06540	7.9
91.05497	14.5
93.07050	30.0
95.04991	3.5
95.08610	70.0
97.06554	6.7
97.10165	7.1
98.97565	2.3
98.98467	8.0
99.44337	2.4
104.30405	2.4
105.07043	12.1
107.08595	18.9
109.10165	39.1
111.08131	2.4
117.76186	2.4
119.08585	10.1
120.83048	2.1
120.86537	2.4
121.06513	31.7
121.10152	14.4
122.06860	3.7
123.11711	17.4
126.27119	2.5
131.08615	6.6
133.10130	9.3
135.08118	3.4
135.11699	11.1
137.13268	7.7
141.09058	2.5
145.10159	5.2
147.11674	6.7
149.09662	2.8
149.13191	4.8
151.11127	2.8
151.14833	3.4
157.10133	4.3
159.11629	3.9
161.13278	9.2
163.11336	2.4
165.12743	5.8
173.11769	5.6
173.13330	6.9
179.14368	3.6
187.14893	3.2
209.15294	2.8
222.82294	2.5
223.16855	3.7
229.10640	3.5
243.21065	12.4
261.22067	25.7
279.23212	100.0
288.27835	2.5
297.24234	9.0
333.14594	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	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80404	0.4
53.03946	0.7
55.01872	0.7
55.41973	0.5
57.03441	2.0
61.02929	3.8
69.03434	6.4
70.99481	1.2
71.04987	0.8
73.02919	1.5
81.03420	3.3
83.01381	0.5
85.02912	29.6
87.04459	0.6
91.03957	1.9
91.05492	11.2
97.02910	7.5
99.04446	1.7
109.02882	2.2
109.06516	0.8
119.04957	6.9
121.06470	0.6
127.03942	4.5
129.07019	1.0
135.04390	0.5
137.05989	100.0
138.06308	1.1
145.04980	7.7
149.05971	0.7
151.07552	1.3
155.07054	10.5
163.06104	1.0
165.05486	0.8
172.09775	0.6
175.07541	0.7
179.07059	2.4
180.08708	2.2
189.05386	0.5
195.06725	0.6
197.08032	0.5
203.07048	1.5
203.34111	0.5
204.10254	1.0
208.87520	0.5
221.08064	0.9
230.08937	1.0
236.12955	1.0
245.08118	1.3
251.53123	0.5
263.09225	2.4
281.10278	1.0
299.11279	0.8
303.42966	0.5
334.10712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
50.54227	2.7
57.10386	2.9
65.31939	2.4
67.22746	2.5
69.99148	10.5
69.99535	5.1
86.52783	2.6
98.20814	3.7
100.97836	2.6
105.04965	2.4
185.23686	3.3
258.20093	2.8
335.07385	100.0
335.11328	6.4
351.52100	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	335.0742
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
53.46289	1.7
55.77101	1.7
56.05026	2.0
56.96556	4.3
57.03443	3.9
61.02914	7.2
69.03429	12.2
69.88154	5.3
69.88545	3.6
73.02907	3.1
81.03426	2.5
84.08138	4.0
85.02493	2.1
85.02914	23.1
91.05473	1.9
97.02903	9.8
98.97590	17.9
101.00867	6.3
107.04881	2.2
108.08103	3.7
109.02856	2.8
109.08424	2.6
110.01526	2.1
110.97556	5.0
112.99127	3.5
113.00890	2.1
116.98589	4.4
119.01882	5.4
127.03899	7.7
127.08689	2.3
128.98601	6.2
129.03145	3.0
131.01852	2.7
133.06047	2.9
137.05974	8.5
138.06303	2.7
143.00146	1.9
143.01874	2.3
145.03432	3.0
145.04884	3.1
146.05101	2.4
147.04251	2.9
147.05113	3.3
152.07092	3.6
153.07390	2.8
155.01945	3.4
157.03441	4.1
158.99641	2.5
161.02959	1.9
165.03961	1.9
167.07036	5.1
169.03458	2.5
171.05043	3.6
173.06642	8.7
175.04524	2.4
175.09007	2.6
177.00681	3.0
179.07106	2.5
185.02867	2.1
185.06624	13.8
189.06079	3.7
201.06049	3.5
202.06322	2.1
215.07623	2.2
219.01797	8.8
221.05087	7.1
223.05359	7.3
237.02852	7.4
244.58089	2.0
261.08218	3.0
267.87900	1.9
273.07059	2.1
275.09805	15.5
277.07733	2.3
291.09305	5.3
292.09558	7.4
293.05450	4.9
293.11133	8.8
308.74164	1.8
335.07355	100.0
335.13773	5.9
336.07492	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	335.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.8
65.03951	6.9
67.05495	9.0
69.03422	20.6
69.27969	57.8
71.04975	16.1
79.05482	26.0
81.03423	12.8
83.04993	52.4
85.02903	9.4
89.65376	6.9
91.05469	22.4
93.07056	17.5
95.05017	14.2
97.02877	7.5
99.04456	29.3
103.05432	8.7
105.07013	19.9
107.04950	16.6
107.53386	7.4
109.02883	17.8
109.06512	8.7
111.04434	13.5
111.32478	6.5
115.05462	8.3
115.29965	7.3
117.07059	8.2
119.04991	12.5
121.01742	7.3
121.06516	100.0
122.19961	7.0
128.06189	8.1
133.02827	14.6
135.04410	76.9
137.06020	12.8
141.06975	15.6
145.06543	8.9
145.10188	9.6
147.04439	52.6
151.03909	12.5
161.02470	7.6
161.05945	13.8
163.11086	9.7
165.05458	60.4
167.07095	75.2
169.06476	11.9
171.07988	11.9
173.99239	9.1
177.05453	20.8
185.09560	8.4
187.07669	9.2
189.05467	9.6
189.91432	7.1
191.07010	19.8
191.10585	8.2
192.09454	6.9
192.53711	7.0
193.05023	33.5
197.06026	15.9
199.07642	7.1
203.03445	11.9
205.04997	8.1
213.09126	10.8
215.07031	36.9
225.05504	16.3
233.08203	33.5
233.10187	7.5
243.06499	28.9
257.08075	24.8
259.09595	39.3
275.09207	66.8
291.12265	50.5
292.66415	7.3
292.69562	7.8
317.10214	51.6
335.11292	9.9
359.31036	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	335.1126
Annotation	Melampodin B
Peak:m/z	Relative Intensity
53.03929	7.3
55.01870	8.3
55.05528	19.1
63.64188	4.5
67.13277	3.8
69.03419	6.4
70.71133	4.7
70.71483	10.8
71.04999	20.7
76.15401	3.6
79.05492	18.5
83.04984	58.3
90.74680	4.3
91.05473	15.7
93.07029	4.4
95.04948	10.6
97.02880	7.9
99.04458	32.9
103.05455	10.2
105.03426	4.7
105.07012	12.4
107.04994	20.9
109.02891	6.3
111.04436	16.9
115.05418	4.9
117.07001	7.8
119.04928	4.3
121.02866	3.6
121.06487	14.9
122.06880	4.8
128.06239	7.3
129.07039	6.2
131.04919	9.9
131.08575	6.9
133.02881	10.4
133.06491	8.7
135.04430	100.0
137.05971	6.7
141.07002	10.8
143.08539	6.0
145.02884	6.3
145.06523	7.5
147.04399	11.9
151.03928	10.8
153.05460	9.7
155.04900	5.9
159.04395	10.3
159.08055	5.5
161.02269	4.0
161.05986	19.2
163.03918	7.1
165.05482	82.5
167.07059	85.1
167.08437	8.7
169.04970	8.6
169.06425	9.3
171.08046	8.1
173.05998	10.6
175.03914	8.1
177.05498	19.5
178.06226	4.5
179.03334	7.0
183.07993	4.4
185.09709	4.3
185.86427	5.0
187.07562	10.6
189.05519	11.7
191.03448	5.4
191.07104	19.0
193.04970	39.9
197.05994	12.1
199.07475	5.6
201.05458	9.4
203.03473	23.5
205.04854	8.6
211.07730	4.0
213.09128	7.2
215.07079	36.4
221.08171	6.0
225.05501	22.9
229.08635	9.4
231.06590	4.9
231.10117	9.9
233.08095	60.1
239.07028	8.2
241.08571	9.7
243.06554	40.7
257.08072	39.3
259.06140	5.5
259.06714	6.5
259.09619	58.4
261.07602	11.6
267.06573	7.2
273.11166	12.2
275.09134	96.3
285.07480	10.4
291.12308	68.2
299.08975	5.1
303.08597	4.6
317.10184	76.0
335.11249	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43855	0.7
57.96038	0.8
57.96404	0.8
64.40787	0.9
66.41066	0.9
67.05522	1.3
68.48421	0.8
69.03421	1.8
70.06586	1.3
70.21368	1.5
70.21719	2.2
72.08138	1.0
79.05508	0.9
81.07041	1.9
84.08152	1.0
85.02891	1.3
91.05486	2.1
95.05038	0.8
98.20737	1.0
103.05461	1.4
105.07058	0.9
107.04886	1.0
119.04915	0.9
121.06513	1.3
129.07014	1.5
131.08606	1.9
137.05971	3.3
142.06522	1.3
147.04431	1.0
151.03972	0.8
154.06503	1.1
155.10669	1.0
156.08081	5.9
157.06425	1.2
158.99728	0.8
167.07214	2.1
168.08049	0.9
171.08067	1.1
172.11249	1.0
173.13345	1.1
174.05574	0.9
174.09169	2.8
175.03896	1.0
177.05528	1.1
182.08305	1.5
182.09787	1.2
183.09300	1.1
184.07629	5.2
185.09647	2.7
197.07094	3.6
197.10715	2.5
198.07861	2.6
198.09387	2.0
199.08739	1.7
199.12297	1.6
200.10770	2.2
209.07085	1.7
209.10690	1.5
210.07555	1.8
210.09464	7.6
211.08612	4.6
212.09230	3.5
212.11040	9.1
213.08011	1.0
213.09845	0.9
214.08720	2.0
225.06645	3.9
225.10175	5.1
226.07210	27.3
227.08194	6.5
227.11786	11.6
228.10219	5.0
235.08635	1.4
237.10233	12.9
239.08205	3.3
240.09000	7.3
241.09760	1.0
244.09744	5.3
253.09721	12.1
255.11308	63.3
256.09717	30.3
256.12369	1.5
269.09198	1.5
270.06403	11.0
271.07108	1.7
271.10782	1.3
273.12418	2.2
281.09238	9.0
284.07822	1.1
287.10324	2.3
288.07397	11.3
289.11670	1.1
299.10291	56.5
308.05417	0.9
317.11340	100.0
318.11664	1.2
318.70456	1.0
335.08624	0.7
335.12366	18.2
335.15860	1.5
335.21207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
56.96566	2.0
57.03426	1.0
58.47531	0.3
61.02919	0.6
62.21988	0.3
67.05508	0.6
69.03443	1.9
69.07078	0.4
69.96085	1.6
70.06598	0.4
71.04973	0.9
71.66154	0.3
73.02908	1.3
81.03416	1.0
83.05006	0.4
84.08142	0.3
84.96081	0.5
85.02515	0.3
85.02920	4.2
85.06532	0.9
86.03247	0.5
86.85629	0.4
87.04450	0.7
91.05487	0.7
95.04997	0.4
97.02915	2.0
98.21469	0.6
98.97601	7.2
98.98358	0.6
98.98457	0.6
101.00920	0.5
107.04977	0.8
109.02873	0.8
109.06557	0.5
110.97585	1.6
111.04411	0.4
113.00865	0.3
116.98627	2.0
119.01885	0.9
119.04948	0.4
120.05252	0.4
123.04408	0.4
127.00717	0.5
127.03894	1.3
128.98608	1.5
129.88037	0.3
131.00192	0.5
131.01936	0.5
131.04831	0.4
133.06487	0.4
134.99693	0.5
135.04388	0.3
137.05965	2.7
138.06305	1.1
140.98628	0.3
143.00221	0.6
143.01910	1.0
145.01753	0.6
145.04948	0.7
146.99663	0.6
147.04420	0.8
149.01250	0.6
154.08670	0.4
155.01859	0.7
155.03386	1.0
155.07043	0.6
158.99683	1.4
161.01228	0.5
161.02974	0.9
162.99179	0.4
163.04012	0.9
165.05496	0.5
170.99654	0.5
173.04495	1.0
173.06609	0.6
173.07938	5.6
173.09648	0.5
173.09940	0.4
174.13132	0.6
177.00734	0.9
179.02219	0.4
179.07077	0.5
185.06602	1.2
186.04449	1.0
187.02797	0.4
192.04761	0.5
202.06009	0.8
202.12651	0.4
202.56206	0.4
203.07751	0.7
213.89420	0.4
219.01784	3.0
221.05070	0.6
227.56870	0.5
229.03926	0.4
237.02794	2.8
239.04425	1.2
243.58270	1.7
261.03650	0.4
275.09839	1.0
289.06079	0.7
293.10974	1.7
297.11307	0.4
307.07040	1.0
309.08496	0.6
320.07529	0.4
335.13144	100.0
353.07571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05502	1.1
56.96560	0.5
67.05509	1.1
69.07064	1.2
69.71173	2.7
74.28944	0.5
79.05499	0.6
81.03435	0.8
81.07059	1.8
82.72411	0.6
83.08614	0.7
89.70435	0.4
91.05492	6.1
93.07052	10.7
95.05000	2.7
95.08641	1.2
98.97587	0.7
103.05484	6.2
105.04544	1.0
105.07046	1.2
107.08626	1.3
109.02865	1.0
109.06516	0.6
109.10144	1.2
119.08605	0.9
121.06517	100.0
122.06850	0.9
123.04441	4.6
131.01903	0.5
133.10135	0.6
135.08047	0.8
139.03906	1.2
143.01979	0.7
143.08514	0.6
145.10123	1.4
147.11855	0.6
152.00876	0.5
165.05528	1.0
173.03029	0.9
176.04720	0.7
179.12592	0.6
187.03917	0.8
189.05505	0.6
197.08133	1.2
199.49678	0.5
207.02933	0.6
215.04019	0.6
233.04694	0.8
247.11076	0.5
268.62576	0.5
311.05209	0.5
317.13974	4.2
335.15182	1.5
335.22186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06305	0.6
50.94960	0.8
51.15442	0.7
53.03946	1.1
53.81334	0.6
55.05514	15.8
57.03427	1.0
57.07075	3.0
59.05001	1.4
65.03960	0.9
67.05510	20.4
68.39384	0.7
69.03432	1.7
69.07069	5.4
69.22566	5.6
69.22969	1.3
71.04997	9.4
71.47488	0.8
77.03958	0.6
79.05499	6.9
81.07063	100.0
83.08636	1.8
83.38780	0.7
85.06552	6.4
88.57497	0.6
89.06048	2.6
91.05484	2.0
93.07047	9.6
95.04967	4.5
95.08611	21.4
97.10183	11.0
99.04452	1.0
99.08130	1.8
105.07050	3.2
107.08595	4.0
109.06487	3.5
109.10191	2.9
111.08089	2.8
113.06076	0.9
121.10155	1.1
123.08121	1.6
123.11715	75.8
133.10144	4.6
141.12740	3.8
148.72990	0.7
151.11192	15.4
169.12251	36.4
187.13298	14.0
317.16068	2.1
335.13055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72306	0.3
56.91716	0.4
57.07079	0.8
57.30196	0.3
69.07056	0.4
69.48942	3.3
70.06585	3.2
70.30566	0.4
71.06920	0.7
73.61502	0.4
84.08105	0.5
86.09711	35.7
88.07590	0.8
91.05447	0.6
93.07063	0.7
98.20738	0.5
103.05476	3.1
119.87041	0.4
120.08112	100.0
121.06523	4.8
121.08452	0.5
128.10722	14.4
131.04951	1.6
131.08572	0.7
132.10204	1.0
133.04906	0.5
133.40884	0.4
146.11804	0.7
156.10225	3.3
159.11716	0.5
163.07549	2.2
180.10207	55.5
181.10573	0.9
185.20976	0.5
185.94424	0.4
229.23616	1.4
231.28439	0.4
231.90623	0.5
238.97119	0.4
245.19347	0.4
272.25845	1.2
273.26160	7.2
335.29855	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.0
56.96559	7.3
62.39510	2.3
63.03801	2.4
67.05506	4.6
69.07071	2.8
71.58413	2.7
71.58754	3.1
79.05492	3.5
81.07066	8.3
91.05464	5.2
93.07034	8.4
95.08607	6.3
105.06981	2.3
107.08588	3.8
109.10183	3.6
113.03090	2.2
118.19536	2.0
118.67575	2.3
119.08582	4.7
121.06515	46.1
121.10168	5.0
122.27041	2.2
131.08565	2.8
133.10208	3.3
135.11717	2.6
145.10117	4.1
185.13283	2.5
189.16435	2.2
239.02257	2.5
241.19298	2.0
308.66238	2.3
335.21936	100.0
335.25769	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	335.2216
Annotation	(-)-Leucothol C
Peak:m/z	Relative Intensity
55.05502	8.4
56.96565	6.4
57.07076	6.0
58.44255	2.5
59.05009	2.7
65.74076	2.6
67.05504	16.1
68.36963	2.6
69.07067	20.2
71.04989	3.4
71.58360	4.8
73.39608	2.4
74.72624	2.1
79.05508	12.6
80.93734	2.6
81.07067	19.3
83.05025	3.0
83.08617	3.5
91.05488	16.6
93.07042	14.7
95.04974	27.7
95.08607	26.2
97.06523	9.5
97.10161	6.5
97.66549	2.3
98.97594	5.3
105.07035	36.1
107.04986	2.7
107.08596	18.0
109.06515	5.6
109.10157	43.9
110.97564	2.6
117.07014	8.2
119.08582	29.5
121.06519	15.9
121.10172	13.7
123.04430	3.6
123.08066	5.0
123.11700	16.5
125.06022	4.0
125.31850	2.3
128.52492	3.1
129.07004	7.2
131.08578	10.8
132.05760	2.6
133.06476	5.8
133.10135	17.0
135.08049	11.0
135.09006	2.4
135.11737	6.6
137.05946	6.0
137.09639	3.7
139.07538	8.2
139.98788	3.4
142.07730	3.3
143.08618	4.1
145.06526	2.5
145.10133	11.0
147.08052	21.6
147.11699	6.6
149.05971	3.8
149.09612	4.8
149.13261	6.9
151.07553	6.8
155.08537	4.7
157.10072	7.0
159.08051	3.7
159.11703	5.0
161.09619	3.1
161.13310	5.5
163.14780	2.6
165.09134	3.4
171.11720	5.0
173.13258	8.3
175.07549	21.6
175.11212	5.8
175.14799	9.2
183.11703	4.2
185.13301	4.3
187.11179	5.2
187.14854	10.0
199.14851	2.7
201.12706	7.3
201.16414	3.1
203.14313	4.7
205.12164	3.0
205.15927	2.9
208.08313	2.5
211.14819	3.8
219.17429	3.4
225.12738	3.1
229.12187	3.6
229.15909	8.5
243.17384	5.9
247.16977	7.6
253.19530	3.2
257.18936	4.2
259.20581	7.7
271.20605	5.8
275.20090	39.6
281.19019	3.8
287.20044	22.3
289.42459	2.6
299.20068	77.9
311.68466	2.6
317.21143	100.0
335.18597	4.4
335.22183	40.7
335.25922	3.3
339.79333	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2217
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
53.03938	5.6
53.56348	2.9
55.01872	7.9
55.05516	21.3
57.03423	11.4
63.41412	3.5
67.05164	5.7
67.05505	61.4
67.05839	2.7
69.03413	5.7
69.07067	34.4
70.02125	15.0
70.02484	6.0
71.04988	10.2
79.05498	34.9
81.07059	81.7
83.04981	13.5
83.08623	10.4
83.42059	3.2
85.02898	7.2
85.06587	5.7
91.05481	22.5
93.07047	47.7
95.04982	23.5
95.08608	95.9
95.73686	2.9
97.06522	13.8
97.10182	10.4
98.68947	3.1
99.04483	6.6
105.07029	56.3
107.08588	38.0
109.06528	12.9
109.10161	43.2
111.04436	4.0
111.08084	4.0
113.06006	7.9
115.03931	8.2
115.05467	3.0
117.07029	13.0
119.08578	42.9
121.06512	33.9
121.10138	28.9
123.04441	5.5
123.08064	12.8
123.11736	17.8
129.06949	5.4
131.08574	33.8
133.06531	6.2
133.10124	28.0
135.08069	12.5
135.11725	16.3
137.05965	8.8
137.13245	6.5
143.03409	41.5
143.08560	6.4
145.10130	36.1
147.08057	14.7
147.11711	18.1
149.09631	7.9
149.13297	8.7
149.61171	3.3
151.07597	9.5
153.09081	3.9
157.10110	5.0
159.08080	6.4
159.10474	3.2
159.11650	17.0
161.09673	7.5
161.13248	9.0
161.78065	3.6
163.07562	7.8
163.11157	3.8
163.14795	7.3
165.09109	7.8
169.04968	11.6
169.10229	6.3
173.09637	8.3
173.13249	7.3
175.07555	6.2
175.11221	4.0
175.14813	11.3
177.09105	7.1
177.16397	10.0
183.11696	3.5
185.08029	3.1
185.13190	4.5
187.11205	6.0
187.14798	30.6
191.10667	12.9
193.08595	5.9
201.12732	4.5
201.16345	10.6
203.10699	3.5
203.17947	11.3
205.12244	6.2
205.15900	10.4
211.14912	5.8
219.17488	5.7
225.16544	3.8
229.15866	7.9
235.13293	3.7
243.13664	3.0
243.21291	4.7
245.18954	4.8
247.16948	100.0
259.20609	35.6
261.22089	7.5
271.20624	7.6
275.20047	9.5
287.20071	48.4
299.20163	23.7
317.21152	81.3
317.24243	2.9
335.22110	55.4
335.25861	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2217
Annotation	Lathyrol
Peak:m/z	Relative Intensity
55.01863	5.2
55.05513	13.9
56.96561	7.9
57.07074	4.7
58.78678	2.8
60.04531	3.3
61.02922	3.5
64.67440	2.9
67.05512	17.3
69.03435	15.2
69.07070	22.6
69.31892	9.1
69.32305	16.7
73.02917	3.6
79.05487	16.1
81.03410	5.1
81.07054	32.2
83.04978	6.9
83.08591	8.3
85.02909	12.2
85.06534	3.9
87.04453	7.9
88.04009	3.0
91.05484	24.6
93.07053	25.3
95.04980	25.1
95.08616	28.6
97.02904	16.1
97.06532	11.3
97.10152	5.4
98.97583	12.4
103.05443	6.8
105.07032	36.7
106.15887	2.7
107.05009	3.0
107.08622	23.0
109.02883	3.6
109.06500	5.6
109.10155	40.0
115.03902	7.9
117.07025	5.8
119.08587	36.1
121.06497	34.8
121.10150	11.2
122.06855	4.0
123.04429	3.5
123.08018	4.1
123.11697	11.1
125.09575	4.0
129.06956	6.8
131.08578	27.0
133.04944	5.4
133.10136	15.3
135.04347	5.3
135.08060	6.1
135.11694	5.6
137.05957	6.7
137.13280	4.9
139.07515	3.6
143.08530	14.4
145.10146	18.7
147.08028	18.9
147.11674	13.1
149.05998	4.2
151.07576	4.7
155.08493	3.7
157.10121	10.2
159.08165	2.7
159.11697	17.8
161.09607	4.2
161.13274	4.4
163.03903	15.5
163.11253	4.0
164.07088	19.1
169.10149	7.0
171.11729	7.6
173.09659	4.5
173.13269	9.5
175.07567	18.8
175.11159	4.3
175.14810	11.2
177.09062	3.5
178.63356	3.3
180.09216	2.7
181.33620	3.0
183.11714	8.3
185.03036	5.4
185.13283	6.6
187.11188	2.8
187.14822	12.8
189.16391	10.4
191.10571	2.9
193.08513	3.1
197.13255	4.9
199.14822	4.9
201.12721	8.7
201.16396	14.5
203.04041	4.8
203.14380	4.1
208.04356	3.7
211.14841	4.4
213.16576	5.9
215.03839	4.4
215.17947	6.0
215.61720	3.3
220.81223	2.8
225.16412	4.2
227.18001	3.6
229.15851	9.1
230.60661	3.2
239.17950	3.4
240.43665	3.7
243.17551	5.0
245.19067	6.8
247.16901	8.4
253.19510	7.0
269.19064	6.1
271.20563	8.4
275.06152	4.3
275.20026	18.0
281.19006	6.0
287.20245	14.8
299.20053	65.2
317.21127	100.0
335.09805	10.9
335.15948	13.4
335.22052	43.0
335.25980	4.9
336.10516	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	1.7
55.01867	0.7
55.05265	0.9
55.05509	9.5
57.03434	13.8
57.07059	1.6
58.77422	0.6
65.03934	1.4
67.05502	48.1
69.06728	0.8
69.07067	10.5
70.27602	2.2
71.04970	1.2
76.01134	0.5
77.03883	0.5
78.57547	0.5
79.05489	24.8
81.07056	51.2
83.04979	1.5
83.08215	0.6
83.08625	5.8
85.06522	1.9
91.04893	0.8
91.05473	12.8
93.07043	28.9
95.04955	1.7
95.08604	40.3
97.06509	2.0
97.10159	2.6
99.08088	0.6
105.07028	10.2
107.08591	18.3
107.72345	0.5
109.06522	1.3
109.10150	18.5
111.08080	1.0
111.11668	0.5
117.07013	2.6
119.08579	9.6
121.10145	16.0
122.14082	0.6
123.08064	1.2
123.11717	7.2
129.05466	1.2
131.08565	7.2
133.10112	6.6
135.10695	0.8
135.11694	15.2
137.09601	1.1
137.13268	2.1
137.88330	0.6
140.16623	0.5
143.16554	0.6
145.10106	6.9
147.11685	6.8
149.13245	9.1
151.11243	0.9
151.14815	0.9
159.11693	4.5
161.13264	5.7
163.14780	4.4
165.12712	1.4
173.13283	5.2
175.14795	2.2
177.16347	2.1
179.14333	0.8
185.13046	0.6
187.14851	2.9
201.16383	1.1
215.17953	1.0
219.20985	0.8
243.21080	9.3
261.22165	10.4
279.23169	0.8
317.24704	2.8
335.25784	100.0
336.26147	1.1
358.90454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03946	3.0
55.05510	11.0
57.03439	17.0
57.07070	2.0
65.03952	1.6
67.05508	58.9
69.07069	14.0
71.49044	2.4
72.91610	1.4
79.05498	30.8
81.07060	53.4
83.08612	5.4
85.06557	1.7
91.05473	12.4
93.07047	31.7
95.04967	2.0
95.08609	44.5
97.06545	1.8
97.10177	1.5
98.78439	1.4
105.07056	9.0
107.08601	16.9
109.06434	1.5
109.10148	17.4
117.06990	3.0
119.08581	6.5
121.10136	12.7
123.11681	7.1
131.08563	5.7
133.10107	4.6
135.11705	8.0
145.10117	4.1
147.11713	4.0
149.13235	5.1
159.11693	2.6
161.13300	2.9
173.13193	2.6
183.85596	1.4
185.64426	1.4
187.14757	2.2
243.21057	3.0
253.57390	1.4
257.05151	1.6
261.22153	8.5
272.76413	1.4
335.25800	100.0
354.14868	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	3.0
55.01865	1.5
55.05515	16.4
57.03440	18.6
57.07061	1.9
65.03923	3.3
67.05508	62.7
69.06731	1.0
69.07075	15.6
70.02462	3.5
71.04984	1.7
79.05499	35.1
79.66332	0.9
81.07061	53.2
83.04956	1.3
83.08626	6.4
85.06556	1.5
91.05485	16.6
93.07050	34.8
95.04935	2.4
95.05499	0.9
95.08614	46.9
97.06503	2.1
97.10155	1.9
98.20874	1.1
98.98440	1.6
105.04502	1.4
105.07034	9.0
107.08602	15.5
109.06491	0.9
109.10168	15.4
111.08044	1.4
112.39000	0.9
117.07005	3.1
119.08607	6.4
121.10152	15.1
123.11694	5.3
130.86909	0.9
131.08565	6.1
133.10141	5.3
135.11697	8.6
137.09550	1.4
137.13239	1.5
145.10100	2.9
147.11687	3.2
149.13268	5.0
158.88983	1.0
159.11699	2.9
161.13240	3.0
162.14758	0.8
163.14845	1.3
164.62900	0.9
173.13268	2.4
175.14835	0.9
187.14793	1.0
243.21118	2.3
261.22150	3.6
335.21954	14.9
335.25763	100.0
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
53.03950	3.6
55.01862	1.5
55.05271	1.2
55.05513	20.1
57.03436	18.9
57.07059	2.4
65.03934	2.2
67.05507	72.0
67.45321	0.7
69.06721	1.2
69.07069	17.4
69.44479	4.7
71.04971	2.1
77.03916	0.8
79.05493	34.9
81.03441	0.8
81.07058	62.1
83.04976	1.7
83.08623	6.6
85.06531	1.3
91.05485	18.4
93.07044	38.7
94.31148	0.7
95.04973	3.7
95.08609	50.7
97.06519	3.1
97.10166	2.6
98.98495	1.7
105.04564	1.3
105.06382	0.9
105.07027	9.5
107.08601	17.4
109.06504	2.0
109.09466	1.2
109.10162	18.5
111.08068	2.1
117.07034	4.0
119.08577	8.4
121.06496	1.3
121.10147	13.4
123.08069	1.7
123.11716	5.4
131.08583	6.7
133.10146	6.6
135.08049	0.9
135.11687	8.4
137.09599	1.3
137.13252	2.1
143.03448	1.7
145.10133	4.4
147.11707	4.0
149.13237	5.2
151.14703	1.0
151.52840	0.6
159.11693	2.8
161.13242	2.8
165.09120	0.7
173.13232	1.7
175.14821	1.6
177.16380	1.0
187.14804	2.3
243.21034	1.1
247.16966	3.4
259.20538	1.2
261.22092	2.4
287.19879	1.3
298.80811	0.7
299.20071	1.1
317.20996	2.4
335.22339	5.0
335.25784	100.0
336.26068	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2583
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03943	2.7
55.01875	1.0
55.05262	0.9
55.05519	15.3
55.54345	0.5
57.03443	18.1
57.07080	2.5
59.48088	0.4
65.03934	2.6
67.05509	64.1
69.03439	0.9
69.07072	13.5
70.76311	1.3
71.05000	1.2
71.08634	0.8
77.03933	1.2
79.05500	32.5
79.70226	0.4
81.07063	58.0
83.04977	1.4
83.08621	5.8
85.06569	1.5
89.06054	0.7
91.05487	16.2
93.07051	34.0
95.04976	2.4
95.08615	47.6
97.06543	2.1
97.10183	2.0
99.08097	0.8
105.04552	1.1
105.07043	11.2
107.08601	18.7
109.06544	1.2
109.10165	19.6
111.08089	1.4
117.07012	3.8
119.08588	9.2
121.06537	0.7
121.10149	15.1
123.08078	1.1
123.11722	7.1
125.09592	0.7
129.05513	0.9
131.08571	6.6
133.10149	7.6
135.11696	12.2
137.09666	0.8
137.13278	2.9
138.89035	0.5
145.10135	5.7
147.11687	5.0
149.13257	6.9
151.14919	0.7
153.12834	0.6
157.10136	0.8
159.11699	3.6
161.13258	3.6
163.14847	2.6
173.13297	3.9
175.14804	1.4
177.12752	0.8
177.16368	1.1
179.14296	0.9
183.11615	0.5
187.14853	2.4
191.14374	0.6
195.12253	0.7
205.16002	0.5
213.00452	0.5
215.18114	0.6
243.21126	3.8
258.31067	0.5
261.22189	6.0
265.46268	0.5
275.19431	0.5
276.21088	0.6
279.23227	0.8
317.24829	3.6
335.25818	100.0
336.26193	1.2
356.63123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45211	0.5
53.03939	0.8
55.90718	0.4
58.06601	0.6
60.04512	1.5
60.25697	0.4
68.05032	3.9
69.03423	2.0
69.07069	0.8
69.56749	3.2
79.05492	1.0
84.04501	2.1
85.02919	0.6
86.06076	1.1
88.07630	1.0
89.03918	5.4
91.05492	0.7
95.08592	0.6
96.04517	6.4
97.02905	21.4
98.97599	0.9
107.04984	2.2
110.06047	0.9
114.05544	14.7
117.03405	9.5
119.08636	0.5
120.40628	0.5
121.06542	0.5
135.04436	17.3
138.05522	17.2
145.02858	13.3
146.95830	0.5
149.02382	0.9
151.55974	0.4
156.06564	4.8
163.03922	100.0
164.04289	0.7
174.07620	1.4
175.03912	0.9
180.06607	2.2
186.05489	0.8
193.04961	0.5
243.25150	0.5
252.57448	0.5
268.15533	0.6
287.27786	0.6
288.92230	1.2
294.13391	2.7
335.29745	3.0
336.10812	32.4
336.14343	2.6
336.30066	1.6
337.11209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1438
Annotation	Eremofortin E
Peak:m/z	Relative Intensity
55.01651	0.2
55.01875	1.7
55.05523	1.0
56.96548	0.3
59.04985	0.8
65.03947	0.3
67.05489	0.4
68.05028	0.4
69.03430	0.4
69.07071	7.5
71.58784	0.2
73.02920	5.9
73.06171	0.3
73.06558	4.8
81.07060	0.3
82.47331	0.2
85.02895	0.2
85.37635	0.2
89.03915	0.4
91.05476	0.5
91.12602	0.2
92.05010	0.9
93.03401	0.3
95.08601	0.3
96.04513	0.5
97.02893	1.4
97.06529	1.0
98.97587	0.3
99.17358	0.2
105.03409	0.3
107.07340	1.8
108.08115	1.1
110.06048	0.3
111.59013	0.2
114.05521	0.7
117.03385	0.7
120.04478	2.3
121.05222	0.6
121.06510	0.4
122.05977	0.2
132.14058	0.2
135.04422	1.2
136.07570	0.6
137.04768	0.3
137.05965	0.5
138.05496	1.5
145.02850	0.7
148.03923	3.4
151.05197	0.3
151.06305	3.7
152.07071	5.6
156.06596	0.3
162.05463	0.4
163.03915	5.3
174.07661	0.4
175.62337	0.2
180.06563	78.8
181.06938	0.3
194.08131	0.8
206.08078	0.4
222.07571	0.8
238.07079	0.2
277.12946	0.3
294.13358	96.6
295.13660	1.2
308.14801	1.2
336.14410	100.0
337.14713	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1436
Annotation	Eremofortin E
Peak:m/z	Relative Intensity
55.01877	1.9
55.05510	1.4
57.03430	0.3
57.71718	0.2
59.04993	0.6
60.04509	0.6
65.03923	0.5
67.05508	0.3
68.05028	0.5
69.03432	0.7
69.07070	8.9
69.93690	0.5
69.94099	0.8
73.02921	5.6
73.06168	0.4
73.06557	5.0
73.39374	0.2
79.05494	0.6
81.07032	0.3
85.02868	0.5
86.74370	0.3
89.03921	0.8
89.09286	0.2
91.05456	0.5
92.05006	0.8
93.05804	0.3
93.07027	0.3
95.04951	0.2
96.04490	0.9
97.02899	3.0
97.06544	1.2
98.97567	0.4
103.05452	0.2
105.07030	0.3
107.04948	0.5
107.07336	2.1
108.08121	1.1
110.06018	0.4
114.05540	2.2
116.98591	0.3
117.03391	1.1
120.04460	3.0
121.05272	0.3
121.06512	1.4
121.10075	0.2
135.04417	2.6
136.07593	0.6
137.04768	0.3
137.05946	0.6
138.05511	2.7
145.02858	1.6
145.84419	0.2
146.10361	0.3
148.03938	3.2
151.06287	3.8
152.07071	6.3
156.06567	0.9
162.05473	0.4
163.03911	13.2
174.07639	0.7
175.04041	0.2
180.06560	84.2
181.06937	0.6
194.08136	0.8
206.04913	0.2
222.07585	0.8
234.06906	0.2
245.09644	0.2
246.10324	0.3
248.08415	0.4
252.14066	0.2
261.09122	0.3
262.76270	0.2
263.10739	0.3
273.61981	0.2
274.09930	0.3
275.10785	0.5
276.07858	0.2
277.12949	0.3
279.10193	0.4
288.92276	0.4
290.09348	0.3
291.10107	0.9
294.13354	100.0
295.13599	1.5
305.08502	0.3
305.11639	1.2
306.12360	1.1
307.09671	0.5
308.14740	1.2
321.11298	0.2
322.11938	0.2
336.11096	4.5
336.14407	97.8
337.10767	0.5
337.14493	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	336.1434
Annotation	Eremofortin E
Peak:m/z	Relative Intensity
50.06714	1.1
52.27013	0.9
52.88723	1.0
55.01874	1.7
55.05498	2.3
59.04983	1.6
64.03738	0.9
69.07076	9.4
70.59010	2.2
70.59340	1.8
70.80627	1.0
73.02923	5.8
73.06554	5.5
77.40315	1.0
79.05495	1.4
81.07060	1.0
85.02895	1.2
89.03937	1.7
91.05492	1.5
92.04990	1.4
96.04482	1.7
97.02905	8.5
98.97589	2.5
105.07058	1.5
107.07375	1.8
108.08120	1.8
114.05566	5.7
116.98637	1.4
117.03395	1.6
117.81130	1.0
119.04967	1.1
120.04453	2.8
121.06516	1.8
135.04407	5.1
136.07616	1.1
137.05989	3.1
138.05487	5.9
145.02824	3.9
148.03938	3.9
151.06293	4.0
152.07077	4.6
156.06490	1.1
163.03917	28.4
175.14850	1.3
180.06570	96.4
280.21805	1.1
288.92358	1.1
294.13382	94.2
295.13818	1.4
309.23062	1.0
336.10831	9.5
336.14420	100.0
337.10794	1.1
337.14832	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88247	1.8
69.34903	13.7
82.42645	1.4
98.21523	2.9
103.46847	1.5
118.22379	1.6
120.70963	1.4
136.19910	1.8
140.64699	1.6
286.42209	1.7
337.08923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86713	2.2
56.96569	15.0
57.11085	2.9
59.43219	2.0
62.19987	2.2
69.03436	3.8
69.51239	2.3
70.34405	4.0
70.34800	6.2
70.98124	7.6
85.02883	3.1
87.94234	2.2
98.97598	30.4
101.00877	6.9
110.97575	9.1
112.99133	4.6
113.03469	5.2
115.02435	2.9
116.98624	9.7
119.01946	5.2
124.95545	5.3
127.02475	4.2
128.98607	10.8
131.00185	2.7
133.03496	3.6
143.00116	2.8
143.01924	7.2
145.03488	11.2
146.99651	6.6
155.01894	6.8
157.03502	7.3
161.02977	2.7
170.96002	5.9
173.02960	5.2
175.04549	3.3
188.97035	5.9
189.00731	6.6
202.98596	5.8
203.04094	4.9
205.00142	2.8
207.01717	2.6
212.97070	3.3
219.01683	4.4
223.06717	3.9
230.98230	7.5
235.06677	6.5
244.99606	5.5
251.04359	2.7
263.00711	13.6
277.02307	5.5
277.07751	10.9
295.06924	4.7
295.10529	3.0
307.08765	10.2
337.08981	100.0
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
56.96571	3.2
57.43343	1.6
65.01049	1.6
71.25050	3.2
77.56549	1.6
95.17199	1.4
96.47752	1.5
96.92755	1.5
97.02872	2.2
98.97599	5.5
101.00862	2.2
110.97562	2.7
112.99043	1.8
113.00861	1.7
113.03461	2.3
116.98661	2.1
119.01916	2.8
128.98569	2.3
133.03441	2.6
143.01852	3.0
145.03459	3.0
155.01906	1.8
157.03473	3.6
170.95963	1.8
173.03009	3.3
185.02966	3.3
202.30563	1.7
203.04007	3.8
217.05539	2.0
219.01900	1.8
230.98097	3.0
235.06618	3.0
239.72466	2.0
245.05051	2.2
263.00870	3.8
267.00388	1.7
277.07758	6.0
300.89999	1.5
302.77570	1.6
307.08673	6.6
335.29871	1.6
337.08984	100.0
338.09854	2.1
355.80487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0921
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.03946	0.5
63.02354	0.5
70.73044	0.7
78.63480	0.3
79.05488	1.4
84.08157	4.2
89.03924	5.9
95.04964	4.1
95.35157	0.3
98.20979	0.3
107.04971	2.1
109.70300	0.3
111.04446	0.6
117.03387	9.2
121.02920	0.5
121.95753	0.3
135.04427	16.6
136.44301	0.3
137.35452	0.3
139.03894	1.2
145.02863	12.3
145.03995	0.7
145.79514	0.3
148.87819	0.3
163.03914	100.0
164.04231	0.9
181.04933	1.2
301.85855	0.4
308.62161	0.3
319.08041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1435
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
55.01851	0.2
56.77935	0.2
63.78543	0.1
68.32320	0.2
69.26485	0.3
69.26894	1.0
69.82925	0.1
71.04980	0.4
75.04483	1.1
85.02879	0.2
95.05011	0.2
98.20685	0.2
105.06979	0.2
117.03354	0.2
121.06370	0.2
122.03691	0.2
131.04887	0.2
136.05261	0.2
136.37657	0.1
137.05934	0.3
141.07069	0.2
145.06505	0.3
149.05991	1.0
151.07512	0.5
153.06969	0.2
158.07263	0.4
161.05948	0.7
163.07498	0.2
163.61287	0.2
165.06972	0.3
169.06464	0.5
175.07550	0.6
179.07014	0.2
181.06503	0.7
182.07324	0.2
183.08012	0.2
185.06021	0.2
186.06693	0.3
189.06970	0.4
189.09071	0.7
190.07745	0.3
191.08583	1.0
194.07301	0.3
195.08069	0.4
197.05940	0.3
198.06744	0.4
199.07506	0.8
201.09103	2.9
202.07790	2.0
203.08548	3.4
204.09309	0.3
205.06622	0.4
205.10101	0.3
206.96243	0.2
208.08762	0.3
209.05954	0.4
209.09712	0.2
211.07523	0.5
212.08257	0.2
213.09123	1.4
214.07648	0.2
215.08574	2.1
216.09335	0.4
217.06531	0.2
217.10196	0.9
218.07341	1.2
219.08066	5.2
220.08754	1.0
221.05978	0.3
221.09595	0.6
222.06642	0.3
223.07500	0.3
223.11223	0.2
224.08334	0.9
225.05513	0.3
225.09058	0.6
229.06549	0.4
230.07278	1.0
231.08057	7.0
232.08841	2.3
233.05969	0.6
233.09602	3.1
234.06752	0.5
234.10417	1.4
235.07651	0.9
235.11156	1.0
236.08339	0.8
237.09084	0.6
238.09804	0.4
240.07887	0.8
241.08633	0.7
242.07268	0.3
243.08049	1.3
244.08899	1.3
245.09639	5.5
246.06670	0.5
246.10405	5.9
247.07555	8.7
247.11186	0.6
248.08362	4.8
249.05386	0.4
249.09109	1.1
250.06250	0.5
251.07051	0.7
251.10667	2.1
253.08617	0.4
254.09450	0.2
255.10190	3.3
257.09616	0.3
258.06775	1.0
258.10175	0.4
259.07559	3.6
259.10400	0.3
260.08322	2.0
261.06137	0.3
261.09113	8.6
262.09879	10.7
263.07150	1.1
263.10678	10.1
264.07819	2.9
264.10742	0.3
265.08618	2.4
265.11530	0.2
266.12936	0.4
268.11041	0.3
269.08115	0.8
272.08313	0.3
273.09103	4.0
274.06888	0.2
274.09903	9.4
275.07065	4.6
275.10657	9.7
276.07819	5.5
276.11346	0.9
277.05414	0.3
277.08691	1.6
277.12244	7.9
278.09372	1.8
278.12912	0.8
279.07022	0.4
279.10150	5.8
280.10608	0.3
281.08167	0.2
283.09698	2.7
284.10510	0.8
287.10663	0.5
288.11380	0.4
289.08600	3.6
289.12192	2.0
290.09378	10.9
291.10147	29.9
292.07272	2.5
292.10690	0.8
293.08060	2.1
293.11667	0.8
294.08881	0.9
294.12561	0.9
303.10342	0.2
304.11038	0.9
305.11722	38.7
306.12491	34.2
307.09674	14.2
307.12903	1.2
308.10394	2.7
309.11197	2.1
309.14835	1.0
319.13263	3.0
319.16727	0.2
321.11203	4.0
322.12006	15.5
323.12454	0.2
335.12732	0.3
337.14337	100.0
338.14682	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1435
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
59.95994	0.2
62.95019	0.3
65.71850	0.3
70.34586	0.9
71.13278	0.2
71.70490	0.3
73.12437	0.2
73.77626	0.2
75.04456	0.9
85.02874	0.3
91.05433	0.3
94.41206	0.3
96.53255	0.3
121.06482	0.3
136.66124	0.3
137.05977	0.5
145.06491	0.4
149.06001	0.7
151.07562	0.4
157.06558	0.4
161.06010	0.6
163.07553	0.4
175.07524	0.5
179.07072	0.3
181.06508	0.6
182.07251	0.5
183.08115	0.3
186.06659	0.3
187.07553	0.3
189.06967	0.5
189.09123	0.6
190.07739	0.4
191.08588	0.6
195.08078	0.4
197.06076	0.4
198.06834	0.4
199.07509	0.5
201.09117	3.0
202.07779	2.1
203.08565	3.3
204.09261	0.5
205.06564	0.4
205.10146	0.5
206.07301	0.3
208.08896	0.4
211.07619	0.5
213.07217	0.4
213.09065	1.4
215.08592	2.5
216.09323	0.4
217.10115	0.7
218.07336	1.0
219.08063	5.7
220.08842	1.0
221.09628	0.5
222.06728	0.4
223.11000	0.3
224.08336	0.8
225.09027	0.4
229.06459	0.3
230.07292	1.5
231.08069	7.8
232.08827	2.4
233.06035	0.4
233.09624	3.6
234.06863	0.5
234.10397	1.4
235.07443	0.8
235.11189	0.9
236.08305	1.2
237.08987	0.4
239.10698	0.3
240.07722	0.7
241.08720	0.6
242.07263	0.4
243.08115	1.4
244.08919	1.8
245.09630	5.8
246.06824	0.8
246.10403	6.3
247.07555	9.1
247.11101	0.6
248.08308	5.6
249.09158	0.7
250.06262	0.4
251.07143	0.6
251.10681	2.0
255.10222	3.1
257.09573	0.4
258.06738	1.1
259.07532	3.4
260.08401	3.0
261.06134	0.5
261.09103	9.4
262.09903	11.1
263.07135	1.5
263.10669	10.8
264.07840	3.2
265.08578	2.2
268.10947	0.4
269.08112	1.0
272.08334	0.6
273.09082	4.8
274.09903	9.6
275.07074	4.3
275.10672	9.3
276.07861	6.1
276.10953	0.4
277.04993	0.5
277.08707	1.2
277.12204	7.3
278.09378	1.9
278.12912	0.5
279.10168	6.5
279.13144	0.2
283.09689	2.2
284.10422	1.0
287.10614	0.4
288.11359	0.4
289.08597	3.0
289.12228	1.5
290.06110	0.6
290.09384	10.0
291.10159	31.6
292.07285	3.0
292.10663	0.8
293.08142	1.9
293.11734	1.0
294.08890	0.9
294.12500	1.1
303.10220	0.3
304.11102	1.2
305.11728	40.4
306.09280	1.2
306.12494	34.5
307.09680	15.9
307.12976	1.3
308.10422	3.1
309.11191	1.6
309.14838	0.7
319.13315	2.6
321.11264	3.9
322.12003	15.2
335.12949	0.4
337.14343	100.0
338.14679	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1436
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
55.01835	0.4
56.96531	0.4
67.05480	0.5
69.07027	0.6
70.30491	0.3
70.93953	0.6
75.04416	1.0
79.05453	0.5
81.03374	0.3
81.06990	1.1
86.10773	0.3
89.03870	0.4
91.05467	1.4
93.07001	0.6
95.08553	0.9
97.02868	0.6
97.10031	0.3
98.97556	0.7
103.05434	0.5
105.06960	0.6
107.08579	0.6
109.10114	0.8
114.82552	0.3
116.98591	0.3
117.03398	0.3
119.08554	0.5
121.06520	1.4
122.06758	0.3
123.11682	0.4
126.42281	0.3
131.04851	0.5
135.04340	0.4
137.05904	1.2
138.07613	0.3
145.10081	0.4
146.03224	0.3
147.11684	0.5
149.05957	0.9
157.10201	0.3
160.05206	0.3
161.05971	0.6
163.03860	1.0
164.04276	1.4
164.90698	0.3
175.07559	0.5
177.05334	0.3
178.07608	0.3
180.06541	0.6
181.06708	1.3
186.06467	0.3
189.06902	0.6
189.09084	0.4
190.07860	0.3
191.08536	0.7
195.07986	0.3
197.05969	0.4
199.07480	0.5
201.09134	1.7
202.07906	1.4
203.08601	2.2
204.09314	0.4
205.06407	0.4
205.10139	0.3
206.07301	0.4
208.08871	0.4
211.07484	0.6
213.09079	1.3
215.08553	2.0
216.09261	0.4
217.06686	0.3
217.10046	0.9
218.07251	1.1
219.08084	4.2
220.08748	1.3
221.09590	0.6
222.06743	0.3
223.07480	0.6
224.08238	1.0
225.09074	0.6
230.07219	1.2
231.08066	5.9
232.08762	2.2
233.06013	0.4
233.09596	3.4
234.06689	1.1
234.10364	1.2
235.07404	0.8
235.11185	1.2
235.76984	0.3
236.08289	0.9
240.07825	0.7
241.08598	0.6
242.07394	0.3
243.08009	1.3
244.08813	1.0
245.09613	4.4
246.06664	0.7
246.10423	5.4
247.07555	7.9
247.11214	0.4
248.08344	4.6
249.05492	0.4
249.09155	1.1
250.06227	0.9
251.06876	0.7
251.10616	1.7
255.10158	2.8
257.09625	0.4
258.06802	1.2
259.07474	2.8
260.08322	2.3
261.06018	0.5
261.09106	7.6
262.09918	10.7
263.07108	1.2
263.10669	8.9
263.12723	0.2
264.07831	2.7
264.10468	0.5
265.08652	2.1
266.09381	0.6
269.08078	1.0
273.09097	4.2
274.06812	0.6
274.09885	8.5
275.07040	4.3
275.10632	7.8
276.07849	5.5
276.11069	0.5
277.05460	0.5
277.08673	2.2
277.12228	7.0
278.09335	1.7
278.12668	0.4
279.06958	0.5
279.10150	4.9
281.08124	0.5
283.09686	2.8
284.10370	0.8
287.10583	0.4
288.11374	0.5
289.08603	2.9
289.12216	1.4
290.06131	0.6
290.09357	10.2
291.10159	27.2
292.04211	0.4
292.07251	3.3
292.10425	0.6
293.08090	1.5
293.11700	1.2
294.08832	1.3
294.12631	1.1
295.13684	2.4
303.10190	0.5
304.10931	1.1
305.08356	2.1
305.11716	39.2
306.12506	32.3
307.09695	13.0
307.13068	1.1
308.10336	3.5
309.11194	2.2
309.14856	0.9
319.13284	3.2
321.11246	4.3
322.08786	0.5
322.12018	14.5
337.10938	5.5
337.14365	100.0
338.14682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.05507	19.4
57.07074	5.2
65.31760	5.1
67.05509	33.3
69.07063	31.0
71.05010	31.0
79.05502	25.1
81.07063	68.5
83.08619	14.7
85.06554	5.8
91.05484	40.8
93.07050	49.2
95.04964	18.8
95.08619	100.0
97.06551	9.3
97.10174	5.5
98.58203	5.1
105.07034	71.7
107.08598	49.3
109.06501	17.5
109.10139	31.9
115.05516	5.4
117.07020	17.5
119.08587	86.8
121.06567	6.4
121.10158	89.9
123.08054	14.7
123.11736	57.4
128.06255	8.0
129.07010	13.8
130.07811	5.6
131.08566	42.4
133.10143	41.8
135.08083	31.3
135.11685	17.4
142.07822	23.3
143.08527	36.6
145.10129	69.2
147.08061	9.9
147.11678	30.8
149.09579	11.4
149.13200	6.9
153.54117	5.0
155.08537	17.3
156.09303	7.5
157.10139	62.7
158.10898	5.7
159.11703	27.3
161.09641	46.6
161.13258	9.9
165.26662	4.5
167.08583	8.7
169.10153	20.1
171.11696	30.8
173.13281	19.9
175.14876	20.4
177.16454	7.5
179.08617	8.2
181.10144	9.5
182.10945	7.6
183.11693	32.9
184.12587	5.1
185.13266	14.5
187.14810	13.7
189.16412	8.9
194.11086	7.1
195.11717	21.3
196.12306	5.8
197.13252	42.5
199.14897	11.0
201.12775	13.8
201.16379	10.8
208.12604	4.6
209.13300	16.3
211.14868	13.7
213.12714	8.4
213.16393	6.0
215.14290	19.6
223.14821	16.9
225.16481	8.1
237.16515	8.2
239.17995	7.2
253.19501	10.2
257.19116	5.6
279.21103	15.1
281.18964	14.6
319.24329	10.1
337.25037	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	337.2739
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.42940	0.4
51.95929	0.4
52.72477	0.5
53.03945	1.3
55.01876	1.1
55.05518	22.7
56.34014	0.4
57.03442	14.8
57.07080	4.7
65.03937	1.7
67.05511	51.0
69.03444	0.4
69.07075	29.1
71.04987	2.1
71.08629	1.8
79.05057	0.8
79.05502	12.8
81.07066	55.5
83.04978	1.6
83.08143	0.7
83.08630	13.6
85.06546	1.6
85.10182	0.9
86.55860	0.5
88.90646	0.5
91.05489	7.9
91.08248	0.4
93.07053	13.9
95.04983	0.9
95.08617	44.5
95.50961	0.5
96.54584	0.5
97.06504	2.4
97.10183	7.0
98.98464	0.5
99.08083	1.1
105.07040	5.6
107.08597	8.4
109.06516	0.9
109.10168	16.2
111.08105	2.4
111.11732	1.9
113.09707	0.6
117.07057	0.7
119.08596	5.7
121.10153	7.3
123.08051	0.9
123.11740	6.3
125.09650	0.9
133.10150	5.7
135.11693	3.5
137.09624	1.4
137.13249	2.6
139.11139	0.6
145.10165	0.6
147.11708	3.7
149.13297	2.7
151.11133	0.6
151.14882	1.3
159.11749	0.6
161.13269	2.9
163.14812	2.5
175.14810	1.8
175.37881	0.5
177.16504	0.9
179.14331	0.7
179.17998	0.7
180.82755	0.5
181.15863	0.5
189.16420	1.1
192.69963	0.5
199.36983	0.5
200.56030	0.5
220.17070	0.6
235.16956	1.1
245.22636	3.1
263.23773	4.4
306.12570	0.5
337.27402	100.0
338.27731	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.274
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.25619	0.8
52.24714	0.9
53.03944	1.9
55.01872	1.4
55.05519	25.2
57.03189	1.3
57.03444	18.2
57.07065	3.6
58.14231	0.7
65.03925	2.2
65.68781	0.8
67.05512	59.2
69.07075	32.4
69.52567	1.8
69.52977	4.4
71.05002	1.5
71.08637	1.3
79.05061	1.1
79.05501	15.8
81.07066	54.4
83.04974	2.5
83.08630	17.4
85.06539	1.5
85.10188	1.1
91.05491	9.9
93.07055	15.3
95.04947	0.9
95.08615	38.6
97.06532	2.9
97.10182	5.9
105.07039	7.5
107.08614	7.7
109.09448	1.3
109.10171	16.5
111.08102	1.5
111.11698	1.7
119.08589	5.7
121.10196	6.8
123.11735	7.7
133.10165	5.7
135.11697	4.0
137.09590	1.0
137.13248	2.7
147.11765	4.1
149.13252	2.6
151.14859	1.2
161.13257	3.0
163.14809	1.9
175.14842	2.8
177.16479	1.0
182.08675	0.9
189.16405	1.1
199.78123	0.9
245.22638	1.7
263.23709	3.3
298.87668	0.8
299.35266	0.8
337.27393	100.0
338.27850	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93832	3.2
56.96568	1.6
59.69080	0.8
69.95808	1.6
69.96180	25.6
70.37090	1.7
70.37484	1.8
83.86602	0.7
87.97221	1.1
98.97601	5.7
106.43914	0.8
113.95137	1.8
116.98634	4.0
119.01920	1.5
131.96155	19.8
134.99649	1.9
149.97198	14.6
153.93251	0.8
172.83025	0.8
177.00951	1.7
189.95233	2.4
207.96259	8.1
219.02037	2.8
220.02121	1.3
231.96259	8.3
234.99950	1.0
243.01926	1.0
249.97324	25.9
254.07971	1.0
255.96213	4.8
258.99725	1.9
261.03082	4.4
263.02945	1.5
272.94489	1.3
273.97321	65.7
274.97507	5.0
277.00894	2.6
278.01251	0.9
283.00006	0.9
291.98364	100.0
292.98563	3.3
296.09106	3.8
296.98840	2.3
298.97720	1.2
301.00842	1.4
314.99911	3.9
315.03281	1.4
315.07541	1.0
316.98944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	1.1
58.36777	0.5
60.01983	0.5
69.22250	5.5
70.06593	0.8
71.04987	0.7
72.08141	0.6
79.05481	0.9
84.04513	0.7
84.08138	0.9
85.02903	0.6
86.02437	0.6
91.05457	2.3
95.04947	0.6
98.20681	1.1
98.97575	1.4
103.80366	0.5
104.04975	1.1
106.06548	0.5
107.04955	1.1
117.03379	1.0
117.05746	1.0
118.03667	0.7
118.06562	4.5
119.04951	2.8
120.04453	1.3
120.08062	0.8
121.02876	0.9
121.06498	0.8
124.35925	0.5
130.06491	1.3
132.04434	2.2
133.05199	1.0
134.06009	1.0
135.04393	2.0
136.07568	1.3
137.05939	1.0
145.02863	2.6
146.03191	1.1
146.06009	5.4
147.00728	0.8
147.04427	5.9
148.03928	1.4
148.07547	0.7
150.05452	1.0
151.03983	0.7
152.03357	0.7
162.05501	9.0
163.03804	0.6
164.07059	2.6
165.01912	1.3
165.04176	0.6
165.07832	1.7
174.05504	4.7
176.03381	3.8
176.07198	1.0
177.05475	3.8
178.04782	1.0
178.06017	0.8
180.06544	1.6
184.51480	0.5
190.05023	6.0
191.05823	4.4
192.06577	10.9
197.06712	0.8
202.05046	3.7
206.04541	0.5
207.08940	1.0
208.06058	2.5
209.06833	2.0
215.02792	0.6
218.04506	11.7
220.06071	16.4
221.02924	0.8
222.07735	1.0
223.04720	1.4
223.08348	0.6
224.09160	1.1
234.07658	7.3
235.04678	0.7
236.03137	1.1
236.05545	18.8
246.03989	3.0
250.04462	0.7
250.07135	36.3
252.08691	100.0
253.08995	0.7
257.03912	1.5
264.05182	2.5
266.04440	1.3
266.10223	1.5
266.54697	0.6
268.08273	0.6
278.06631	19.4
294.09738	15.2
296.07681	18.7
320.10858	0.9
338.08713	99.3
338.17557	2.3
339.08960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
55.05495	1.1
55.94689	1.1
56.96561	4.9
61.01242	0.8
67.05492	2.6
69.03427	2.3
79.05474	3.4
81.03411	1.8
81.07057	13.9
83.04953	1.4
83.08649	0.9
85.02912	9.2
85.06529	1.2
91.05466	2.7
93.07072	1.3
95.04949	0.9
95.06069	1.3
95.08610	18.1
97.02882	2.4
97.06536	60.1
98.97603	5.1
99.04403	1.0
111.08061	1.7
111.52799	0.9
116.98616	2.0
117.03359	1.2
121.02848	3.4
123.08071	19.4
127.03915	1.1
128.98570	1.1
137.05978	3.6
141.09108	100.0
142.09393	1.1
145.02850	2.7
147.04443	0.9
151.03918	1.5
153.41487	0.9
154.05035	1.0
159.10175	12.3
163.03831	1.0
164.04356	1.1
177.05495	5.0
184.51389	1.2
185.01605	1.2
192.03659	1.1
193.51889	1.2
194.02092	1.6
194.52496	1.0
198.02425	1.3
200.02275	1.7
206.02271	2.5
206.52528	1.1
207.03062	1.4
209.02791	1.4
212.02269	1.3
215.02829	2.2
216.03699	1.3
219.02896	1.2
221.02811	2.8
221.53070	1.0
227.02861	1.1
230.03421	2.3
236.03279	1.2
239.02896	1.3
248.03366	2.5
257.03836	4.9
257.54202	1.2
266.04468	8.1
266.54645	4.1
272.04355	2.3
275.04880	1.8
277.55453	0.9
295.05609	3.0
308.06497	1.3
309.07144	2.7
317.06003	1.9
317.56061	1.9
320.06232	1.5
337.07129	2.0
338.07330	19.2
338.14114	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.9
57.03441	1.1
61.02924	4.1
69.03419	4.8
71.04974	1.0
71.42877	1.6
73.02914	2.1
81.03423	1.5
82.99858	2.3
84.04498	1.0
84.08144	1.9
85.02912	9.5
90.72061	0.8
91.05500	1.2
93.83294	0.7
97.02890	2.6
98.97588	2.6
101.00888	30.0
103.00643	1.0
106.06559	2.9
109.02926	1.1
113.00874	2.1
115.02410	2.5
119.01929	38.0
119.04942	2.9
121.01620	1.3
127.02427	3.0
127.03946	1.3
129.03957	0.9
130.05023	1.8
131.01918	3.8
133.01671	1.2
133.03473	4.6
133.08839	1.1
137.02953	3.4
137.05965	1.7
139.02411	6.1
142.03249	1.2
143.01909	15.2
144.04807	1.0
145.03485	11.3
147.03316	1.3
147.04376	6.7
154.05005	1.1
155.01918	1.9
157.01549	1.5
157.03482	37.2
159.03294	1.2
161.02995	10.5
163.04578	6.8
166.06903	1.2
169.03468	1.6
173.02995	3.7
175.04532	16.5
177.04053	1.7
177.07927	1.3
181.05589	3.1
185.02942	1.4
187.04543	3.3
188.03699	1.5
195.05090	1.9
197.02962	1.0
205.01921	0.8
205.05574	21.4
218.06372	0.9
219.01727	4.2
220.56764	0.9
223.06639	100.0
224.06831	1.9
231.01736	1.1
237.02678	2.3
239.04387	1.6
241.07677	19.0
245.05112	1.9
246.08298	2.5
249.06039	1.4
249.08260	14.6
258.06754	2.1
259.06442	1.3
265.07523	0.9
267.09290	2.6
275.06177	1.1
275.98148	1.0
277.07712	37.2
279.05640	3.0
293.07166	1.6
303.05624	7.9
303.08920	1.2
321.06711	42.0
321.10059	2.2
339.07642	30.4
339.10574	20.5
339.16135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.9
57.03441	1.1
61.02924	4.1
69.03419	4.8
71.04974	1.0
71.42877	1.6
73.02914	2.1
81.03423	1.5
82.99858	2.3
84.04498	1.0
84.08144	1.9
85.02912	9.5
90.72061	0.8
91.05500	1.2
93.83294	0.7
97.02890	2.6
98.97588	2.6
101.00888	30.0
103.00643	1.0
106.06559	2.9
109.02926	1.1
113.00874	2.1
115.02410	2.5
119.01929	38.0
119.04942	2.9
121.01620	1.3
127.02427	3.0
127.03946	1.3
129.03957	0.9
130.05023	1.8
131.01918	3.8
133.01671	1.2
133.03473	4.6
133.08839	1.1
137.02953	3.4
137.05965	1.7
139.02411	6.1
142.03249	1.2
143.01909	15.2
144.04807	1.0
145.03485	11.3
147.03316	1.3
147.04376	6.7
154.05005	1.1
155.01918	1.9
157.01549	1.5
157.03482	37.2
159.03294	1.2
161.02995	10.5
163.04578	6.8
166.06903	1.2
169.03468	1.6
173.02995	3.7
175.04532	16.5
177.04053	1.7
177.07927	1.3
181.05589	3.1
185.02942	1.4
187.04543	3.3
188.03699	1.5
195.05090	1.9
197.02962	1.0
205.01921	0.8
205.05574	21.4
218.06372	0.9
219.01727	4.2
220.56764	0.9
223.06639	100.0
224.06831	1.9
231.01736	1.1
237.02678	2.3
239.04387	1.6
241.07677	19.0
245.05112	1.9
246.08298	2.5
249.06039	1.4
249.08260	14.6
258.06754	2.1
259.06442	1.3
265.07523	0.9
267.09290	2.6
275.06177	1.1
275.98148	1.0
277.07712	37.2
279.05640	3.0
293.07166	1.6
303.05624	7.9
303.08920	1.2
321.06711	42.0
321.10059	2.2
339.07642	30.4
339.10574	20.5
339.16135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77156	1.4
56.96556	3.6
70.23520	3.6
70.23882	1.2
78.52272	1.1
81.03388	1.6
91.05486	8.0
97.02868	3.1
98.56114	1.1
98.97585	9.8
110.97565	5.5
116.98613	1.2
118.73708	1.0
119.04955	22.2
127.03913	3.1
128.98618	2.8
136.06180	1.5
140.98470	1.0
147.04417	100.0
163.00673	1.1
163.03873	1.4
165.05508	1.3
193.01724	1.2
195.03392	1.6
219.01746	6.2
237.02704	3.3
279.05389	1.4
339.07803	13.1
340.94156	1.2
344.46875	1.2
357.08481	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	339.0843
Annotation	Thiazostatin A
Peak:m/z	Relative Intensity
51.62626	11.0
55.16240	11.9
59.35722	12.6
70.28536	41.8
79.31580	15.9
106.72029	13.2
110.27699	13.8
145.31107	13.6
192.04491	13.2
197.07605	14.2
206.24165	12.0
339.08163	100.0
352.98392	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19877	0.5
71.11308	1.1
85.02890	0.6
93.77453	0.5
98.21423	0.5
118.80827	0.5
119.04926	0.6
137.06064	0.8
141.73239	0.5
145.02823	0.8
147.04462	1.8
177.05457	0.8
195.05095	0.9
221.06529	0.7
339.10522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1062
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.96568	7.8
61.85153	1.0
64.32265	1.0
69.03436	1.2
71.55663	1.3
84.08126	1.5
84.96032	3.9
85.02911	1.2
91.05499	8.1
94.14317	0.9
97.02902	6.2
98.21162	1.0
98.97591	25.0
102.37904	1.0
110.97586	10.5
112.99164	1.5
116.98629	5.7
119.04950	22.7
121.06519	1.4
124.99125	1.4
127.03913	2.6
128.98643	5.8
128.99406	1.1
131.00168	1.7
138.04239	0.9
140.98593	1.4
143.00177	3.2
144.98138	1.4
146.99667	1.9
147.04422	100.0
152.98488	1.0
158.99687	3.5
161.01196	1.8
163.00685	1.7
163.03911	2.8
165.05542	1.2
170.99680	2.2
177.00684	2.7
181.01749	1.7
193.01764	5.0
195.01807	0.9
195.03352	5.9
195.04839	1.1
201.00661	1.7
207.03288	1.4
211.02814	1.5
213.04362	2.1
218.99767	1.1
219.01779	11.9
237.02596	10.6
251.91724	0.9
267.84164	1.0
274.35187	1.0
279.05344	2.1
339.10757	95.6
357.08594	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	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03922	0.9
55.01862	0.6
56.97098	0.5
57.03431	0.5
65.53958	0.5
69.03429	4.5
70.85657	1.5
71.04984	1.0
79.05489	1.7
81.03421	10.6
81.07083	0.7
85.02911	4.8
89.03914	6.5
91.05488	3.0
91.84219	0.5
95.08617	0.6
97.02906	5.5
98.21545	0.7
99.04436	0.8
103.05443	1.1
105.03397	0.6
109.02890	4.0
117.03380	23.5
117.07047	0.5
119.04916	2.4
120.09203	0.6
121.06483	0.7
127.03906	1.1
129.07013	4.6
131.04935	1.6
131.08591	0.6
133.22641	0.5
134.03606	2.0
135.03395	1.2
135.04420	23.3
137.06004	3.9
145.02850	51.1
147.04408	3.1
149.02290	0.7
149.05986	8.7
151.03880	1.3
151.07547	1.1
157.06502	2.1
163.03894	1.3
172.05219	2.9
174.06737	3.5
175.03917	3.5
175.07521	1.0
177.05473	100.0
178.05832	1.0
178.07585	0.7
181.30083	0.7
185.05980	1.3
186.05458	0.9
187.07565	10.8
189.09070	5.1
190.07881	0.9
191.08609	1.7
195.06429	3.3
199.07455	1.2
202.07846	1.1
203.08565	3.6
207.06538	7.4
208.08754	0.7
217.08577	7.0
218.07256	1.3
219.08086	5.0
220.08757	0.9
231.08028	3.5
232.08815	0.8
235.07404	1.0
236.08347	1.6
237.09035	0.6
247.07541	2.4
248.08299	2.3
249.08992	1.8
251.06946	0.7
251.10649	2.0
259.07520	1.9
260.08273	0.6
261.09161	2.1
263.07065	0.9
263.10660	2.4
264.07828	1.0
265.08453	0.8
276.07980	1.0
277.08749	2.7
278.09412	0.6
279.10321	2.8
281.08167	0.7
289.08618	2.6
291.10095	4.4
294.08853	2.4
295.09457	1.1
309.11246	5.2
311.12827	0.6
315.04160	0.6
321.09534	12.7
339.12357	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	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03941	0.8
57.03434	1.4
67.76836	0.4
69.03439	4.5
69.35482	2.3
69.35909	1.0
71.01352	0.6
71.04990	1.2
81.03429	2.9
85.02901	3.8
89.03917	6.6
90.40056	0.4
93.93076	0.4
97.02897	10.8
97.03521	0.8
99.04461	0.7
101.02380	0.5
109.02885	0.4
109.18407	0.3
117.03386	20.9
127.03928	1.0
134.03648	1.5
135.04401	0.8
137.05983	0.7
137.06969	0.4
140.19757	0.4
142.69827	0.4
145.02853	56.8
147.04446	0.6
149.05997	7.7
163.03874	1.1
177.05479	100.0
178.05823	0.5
179.63277	0.4
186.05438	1.0
195.06526	2.8
207.06578	0.6
307.44135	0.5
321.09628	2.3
339.10748	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	339.1077
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
65.03934	0.5
70.93307	0.4
81.03427	0.6
83.04959	0.6
84.80164	0.2
91.05486	8.8
98.97585	0.4
111.04460	0.7
119.04954	22.7
145.02901	0.3
147.04417	100.0
148.04752	0.9
165.05516	0.9
177.05490	0.3
219.01917	0.3
310.79312	0.2
316.71677	0.2
334.50323	0.3
357.08429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77651	0.4
65.03929	1.0
71.16383	0.7
91.05485	9.1
95.87202	0.3
96.05673	0.4
100.81623	0.4
119.04950	23.7
145.02779	0.7
147.04416	100.0
148.04758	0.6
165.05478	0.9
177.05470	1.3
232.02136	0.3
303.75684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.67614	0.3
54.95010	0.3
56.96567	0.7
57.03432	0.4
65.03935	1.5
67.05496	0.5
69.03412	0.8
70.06612	0.4
70.81989	0.7
70.82332	0.8
71.04980	0.5
71.45573	0.4
74.80794	0.3
78.75484	0.3
79.05505	0.6
83.04967	0.4
84.04502	1.3
84.08127	0.8
85.02899	1.3
87.04457	0.4
91.05483	13.6
93.07036	0.9
95.04981	0.8
97.02917	0.6
98.97630	0.4
103.05471	0.6
105.07063	0.6
110.07187	0.9
111.04462	0.5
115.80261	0.3
117.03392	0.7
119.04951	26.4
119.08578	1.7
121.06526	2.1
123.08046	0.4
129.05502	0.5
136.06187	1.3
137.05975	1.5
137.09598	0.7
139.00703	0.6
139.03897	0.7
145.02866	1.6
146.06050	0.8
147.04417	100.0
147.11717	0.9
148.04715	0.7
149.05986	0.5
163.03929	1.0
164.68571	0.3
165.05458	0.8
165.09123	0.5
174.90347	0.3
177.05510	3.7
201.05414	0.4
206.11967	0.4
236.41322	0.4
237.04378	1.0
255.05437	0.5
258.29507	0.4
297.06299	0.8
358.67337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.8
57.03428	1.3
60.71914	0.7
67.05502	1.5
69.03427	5.6
71.01366	1.1
71.05002	1.8
71.17309	1.6
79.05527	0.9
81.03410	2.8
81.07056	1.2
83.04952	1.3
83.06108	1.4
84.04511	9.9
85.02913	6.2
89.03922	5.3
89.82384	0.7
91.05492	4.5
93.07043	2.4
95.04985	1.3
95.08596	1.5
97.02896	10.2
99.04460	3.1
101.02361	0.8
102.05554	1.5
105.07028	4.9
107.04953	1.0
111.08077	1.0
117.02606	1.5
117.03391	20.2
117.07018	0.8
119.08591	14.9
119.69438	0.9
121.06480	1.0
129.06622	2.2
130.05011	7.1
131.08580	1.1
132.99934	0.8
133.10161	1.8
134.03641	1.0
137.05988	2.7
137.09608	0.9
145.02856	49.6
147.04437	1.8
147.07628	3.8
147.11703	5.2
149.05981	7.8
151.07423	0.8
151.11180	3.1
163.03929	1.3
165.09140	1.4
175.11201	4.6
177.05484	100.0
193.12299	2.3
195.06496	3.0
210.14819	0.9
276.15979	1.4
304.15372	0.8
307.09848	1.1
316.06586	0.8
321.09836	3.5
321.17807	0.9
322.16629	0.9
339.10709	8.7
339.14450	1.8
339.19244	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	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
53.51497	0.5
57.03429	0.6
63.21366	0.5
69.03432	5.2
69.81861	0.7
69.82146	2.5
71.04993	0.9
73.02897	0.6
81.03421	15.4
85.02908	5.4
88.50414	0.4
89.03923	7.0
91.05480	1.5
94.77766	0.4
97.02903	3.0
99.04463	0.8
106.04176	0.8
109.02888	7.2
117.03384	23.8
119.04955	1.9
121.36022	0.4
127.03920	1.5
134.03633	1.5
135.04402	0.9
137.06000	2.0
142.61313	0.4
145.02856	57.0
147.04401	1.3
149.05995	7.3
163.03889	1.1
175.03934	2.6
177.05479	100.0
178.05765	0.8
185.06049	0.5
186.05478	0.8
192.42102	0.5
195.06558	4.3
207.06496	4.1
218.07281	0.7
219.08104	0.8
236.08395	0.9
241.08914	0.5
247.07530	1.3
251.10648	0.8
264.07907	1.2
279.08640	0.6
307.09610	1.9
311.12738	2.4
321.09692	20.6
339.11975	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.38528	0.4
53.03943	1.2
55.01874	0.6
57.03456	0.9
57.03712	0.4
62.06813	0.4
69.03433	7.6
71.04990	0.9
79.05514	0.4
80.11475	0.4
81.03421	9.8
85.02905	3.9
89.03922	5.3
89.04428	0.6
91.05490	2.5
97.02900	6.8
98.21524	1.1
99.04461	1.5
103.05421	0.5
107.04917	0.4
109.02883	5.1
117.03384	21.8
119.04947	3.6
127.03923	2.3
131.04962	0.7
131.47217	0.4
134.03592	1.3
135.04439	1.4
137.06003	3.2
145.02852	53.2
147.04391	3.0
149.05984	7.2
151.07579	2.4
163.07597	0.6
165.09105	0.9
175.03920	5.8
177.05478	100.0
178.05812	0.8
186.05461	0.9
187.23953	0.5
195.06526	2.3
201.09117	0.5
207.06511	9.5
207.08350	0.7
218.07246	0.6
219.08116	0.7
233.08817	0.7
236.08165	0.6
247.07529	1.3
247.10472	0.8
249.08493	0.8
262.09476	0.6
263.07071	0.5
263.09756	0.9
264.08057	1.0
264.10669	1.5
265.08243	0.7
265.11258	0.8
266.08475	0.4
275.07004	0.5
275.09903	0.8
276.10632	1.2
277.08069	0.7
277.11392	0.7
278.08746	0.5
279.10190	0.9
279.12881	0.6
291.09961	0.6
292.10049	2.0
293.07806	0.7
293.10797	3.8
294.08093	0.6
303.08575	1.2
306.12115	1.1
307.09470	1.3
307.12457	5.8
308.10016	0.7
308.13165	5.2
309.10284	2.0
311.12726	1.3
321.09717	16.6
323.12183	0.7
324.12805	2.4
339.11273	4.3
339.15070	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	339.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70864	0.3
55.20398	0.4
56.96574	3.9
65.03933	0.9
69.03407	0.6
69.54790	0.5
69.55193	1.8
71.05009	0.4
81.03422	0.5
83.04985	0.7
84.96033	1.2
85.02901	0.9
85.58725	0.4
91.05485	10.1
93.07028	0.8
95.04983	0.6
97.02898	2.8
98.20801	0.4
98.96938	0.5
98.97592	9.5
103.05445	0.5
109.02873	0.7
110.97574	4.1
112.99116	0.7
113.12115	0.4
116.98650	2.4
119.04952	21.6
121.06515	5.4
124.99055	0.5
127.03924	1.4
128.98639	2.5
130.05037	1.0
131.00179	0.5
133.85098	0.4
136.06192	0.5
140.98610	0.7
143.00148	1.2
144.98087	0.8
147.04417	100.0
148.04837	1.0
152.98569	0.6
157.04941	0.4
158.99692	1.4
161.01266	0.8
163.00676	0.8
163.03889	0.7
165.05508	0.4
170.99652	1.0
177.00711	0.9
178.08707	0.5
181.01720	0.6
184.16605	0.4
193.01762	1.8
195.03317	1.7
201.00706	0.8
203.03438	0.4
210.11270	0.9
211.02791	0.9
213.04329	1.0
219.01779	4.6
223.02783	0.4
236.05789	0.4
237.02568	4.1
237.04819	0.8
251.06781	2.3
251.56932	0.5
261.02756	0.8
265.03955	0.5
279.05487	0.7
321.05121	0.7
321.09488	0.5
339.07526	7.6
339.10660	4.9
357.08575	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	339.1231
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
51.02373	0.5
53.03935	2.0
54.14252	0.5
55.01864	0.8
55.05511	0.6
56.96560	0.9
57.03432	0.7
57.07047	0.6
67.05463	0.6
69.03436	5.2
69.07056	0.9
71.58594	0.8
79.05479	1.9
81.03419	11.0
81.07045	1.5
83.08629	0.7
85.02905	4.9
89.03918	5.6
91.05483	3.3
93.07021	0.8
95.04939	0.5
95.08606	1.2
97.02911	6.3
97.10147	0.6
98.97589	1.0
99.04449	0.7
103.05449	1.5
105.03379	0.9
109.02880	3.5
109.10184	0.9
115.05433	0.7
117.03380	24.3
119.04966	4.2
121.06516	0.6
122.03612	0.8
127.03911	1.7
128.06250	1.3
129.07005	6.8
131.04926	1.5
131.08595	0.6
134.03632	2.1
135.04420	37.0
137.05995	6.2
143.08640	0.9
144.05701	1.3
145.02852	55.3
146.07303	0.6
147.04424	4.1
149.02321	1.0
149.05998	9.3
151.03882	1.6
151.07489	1.2
157.06493	4.0
158.07179	0.5
162.03122	0.6
163.03943	1.2
165.05479	1.0
171.08087	0.6
172.05208	3.0
173.05943	0.8
174.06770	5.0
175.03902	4.9
175.07512	1.8
177.05479	100.0
178.05826	0.9
185.06007	0.8
186.05424	0.7
187.07553	18.5
189.09125	6.6
190.07819	1.6
191.08563	3.5
195.06522	2.3
199.07594	1.9
202.07832	1.6
203.08575	5.5
205.06511	1.8
207.06519	10.3
214.94843	0.5
215.06996	0.6
217.08614	9.9
218.07288	1.5
219.08069	7.3
220.08742	0.8
221.05945	0.6
223.17099	0.5
231.08084	6.4
232.08839	1.3
233.09547	0.8
235.07515	1.2
236.08368	1.7
246.06764	1.1
247.07558	3.9
248.08305	3.5
249.05377	0.8
249.09053	2.4
251.07057	0.8
251.10690	3.2
259.07553	2.1
260.08298	1.6
261.09131	3.6
263.07086	0.8
263.10699	3.2
264.07813	2.1
265.08643	0.9
269.08118	1.5
274.97388	0.7
275.07031	0.7
276.07755	1.1
277.08606	2.9
278.09399	0.8
279.10226	4.4
281.08157	0.6
289.08560	4.8
291.06903	1.0
291.10071	5.6
294.08804	4.1
295.09692	1.0
306.08887	0.9
307.09573	1.0
309.11163	7.4
311.12674	0.6
321.10193	13.1
339.12366	8.8
345.48892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83528	5.1
52.67267	4.4
53.03953	6.1
55.05513	52.5
56.96561	6.2
57.03426	7.2
57.07078	48.5
67.05511	36.4
69.07069	93.8
69.97458	26.4
71.04984	5.2
71.08636	28.0
79.05499	35.9
81.07058	100.0
83.08624	67.8
84.96024	6.2
85.10172	12.4
87.34631	4.6
91.05467	16.9
93.07047	83.2
95.04961	6.4
95.08605	78.3
97.06538	15.2
97.10177	34.1
98.17881	5.0
98.97581	18.1
105.07001	13.0
107.08599	74.8
109.06480	7.2
109.10175	43.0
111.08142	4.4
111.11707	17.1
116.98615	7.2
117.06960	6.3
119.08568	23.2
121.06486	7.9
121.10143	56.8
123.08046	8.4
123.11712	13.7
125.05972	9.3
125.13253	8.6
131.08539	5.6
132.18953	5.2
133.10120	9.3
135.08040	7.7
135.11679	37.4
137.09717	4.9
137.13240	8.7
139.07542	78.3
145.10129	7.2
147.11673	8.0
149.13263	24.5
151.14861	8.3
153.09091	25.6
155.08472	5.8
159.11656	6.3
163.11212	13.6
163.14841	17.5
167.10698	19.0
171.11668	5.7
173.13264	7.2
175.14742	6.3
175.82771	6.3
177.05464	11.7
177.16408	9.7
181.12267	25.6
191.17958	13.9
195.13840	14.5
205.19502	7.9
209.15315	8.2
215.17834	5.9
221.22586	7.0
223.16962	7.0
233.19173	5.4
237.18446	8.7
251.20056	9.7
261.25739	12.3
265.21744	11.1
274.97534	16.8
275.27374	12.7
292.98740	5.5
302.40094	5.6
303.26758	9.5
313.74493	5.2
321.27780	16.3
339.12408	5.6
339.22986	17.8
339.29257	32.1
339.77652	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	339.2895
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03944	1.0
54.32153	0.6
55.01878	0.7
55.05516	27.8
57.03442	13.1
57.06825	0.8
57.07080	11.6
62.08600	0.5
67.05510	18.2
67.06055	0.8
68.45411	0.6
69.07074	35.9
71.04992	1.2
71.08639	5.3
79.05502	7.9
79.83208	0.5
81.03430	0.6
81.06582	1.2
81.07059	23.1
83.04965	1.0
83.08624	22.8
85.06567	1.3
85.10206	3.7
91.05466	1.1
93.06564	0.8
93.07061	11.3
95.08615	22.1
97.06553	3.8
97.10177	14.3
98.21503	1.6
99.08094	1.2
107.08606	6.6
109.10157	8.8
111.08070	2.1
111.11737	3.2
121.10146	12.4
123.11723	3.4
125.09602	1.6
125.13255	0.9
135.11705	6.7
137.13272	1.3
139.11182	1.1
149.13226	3.6
151.14809	1.0
153.12785	0.9
163.14830	2.2
165.16377	0.6
177.05490	1.3
177.16379	1.0
247.24248	2.2
265.25162	3.5
273.60211	0.6
286.64761	0.7
339.28973	100.0
340.29266	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05111	1.9
53.03938	4.0
55.01867	3.6
55.05257	2.6
55.05511	19.4
56.96568	14.3
57.03444	2.4
57.07083	10.3
60.45974	1.8
65.03932	1.9
67.05503	19.3
69.03429	10.7
69.07069	45.5
70.73051	3.6
70.73420	3.7
70.98116	4.2
71.08630	7.5
73.06571	1.7
79.05485	7.6
81.03395	4.2
81.07059	52.7
83.05019	1.8
83.08621	34.7
85.02911	5.7
85.06534	6.1
89.03920	8.9
91.05485	27.0
92.05819	2.3
93.07049	11.2
95.08609	62.9
97.02896	67.5
97.06520	4.4
97.10177	18.4
98.97580	14.1
103.05477	4.5
105.07036	7.2
107.08614	13.7
109.02851	3.7
109.06544	4.5
109.10155	33.1
111.08080	2.4
111.11716	21.4
115.03938	2.2
115.07574	4.6
116.98623	5.2
117.03401	21.9
119.04958	30.3
119.08586	10.4
121.06515	6.9
121.10154	13.5
123.08055	5.3
123.11708	31.1
125.13286	11.8
127.03895	2.6
127.07569	4.3
129.06987	2.0
129.09093	2.6
131.04959	4.1
131.08592	2.9
132.02103	2.4
133.10130	8.5
134.99608	2.3
135.04419	3.7
135.11708	9.8
137.05983	24.9
137.09631	5.2
137.13237	18.9
141.09172	2.4
142.94568	2.2
143.10670	2.6
144.98059	2.6
145.02846	51.3
145.10115	2.4
146.48073	1.8
147.04416	29.4
147.11728	12.0
149.02467	1.8
149.05991	10.7
149.13252	5.7
151.03918	3.6
151.07568	3.2
151.11189	5.6
151.14838	6.9
155.07027	1.8
155.10698	4.9
157.04001	2.7
159.11687	4.3
161.05986	3.1
161.13274	6.6
165.05510	4.1
165.11589	2.0
165.12711	10.9
167.03444	3.0
167.23788	1.9
169.12296	4.7
173.13316	2.8
175.03900	46.2
175.14865	4.0
177.00775	3.5
177.05467	100.0
179.07039	1.9
179.14317	8.4
181.12303	2.4
183.13828	7.1
185.01285	1.9
187.07515	2.3
189.05421	2.6
189.16377	2.4
191.08699	2.1
191.14471	1.9
193.15851	3.4
193.19534	2.0
195.13750	4.4
197.15437	3.1
199.02888	2.2
203.17929	2.2
205.06485	2.0
207.06532	81.4
207.17332	3.8
211.02968	2.3
211.16931	2.7
215.07008	3.6
219.08102	5.0
221.18846	2.6
229.08522	2.1
231.08109	3.5
235.07614	3.0
239.20023	2.6
251.20107	2.8
261.09045	2.7
264.07800	2.8
265.21631	2.9
274.52768	1.9
274.97629	4.8
279.10132	4.2
285.25760	3.8
289.08572	4.2
291.10281	2.7
292.98529	2.5
293.07562	2.3
297.02802	3.1
302.61496	2.3
303.08701	6.4
303.26694	2.8
307.09583	7.1
311.12817	4.4
315.03928	4.5
321.10562	6.6
321.27890	23.0
339.03745	2.4
339.12131	21.6
339.23026	4.2
339.29077	2.2
357.04974	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	340.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59624	0.7
52.08191	0.7
55.01881	2.0
55.05516	22.9
59.12842	1.0
67.05529	4.2
69.03436	5.3
69.07087	4.6
70.76189	1.1
70.76505	1.2
79.05479	2.8
81.07064	4.4
83.04977	1.4
83.08626	19.5
85.02913	7.0
87.04483	1.2
90.89938	0.7
94.02536	0.9
97.02891	2.3
97.10178	49.5
103.55229	0.7
104.68587	0.7
107.08599	6.7
125.09638	65.5
137.05988	3.5
143.10684	100.0
144.11002	1.0
145.73393	0.8
161.11751	13.7
175.59700	0.8
187.07610	1.4
231.08002	1.2
235.73627	0.9
244.51964	0.8
289.38681	0.8
323.12738	1.1
341.14108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89693	0.7
55.01880	2.0
55.05520	1.5
57.03437	1.4
67.05515	5.4
69.07071	10.4
69.54304	4.3
71.04996	9.6
71.41452	0.7
79.05493	10.3
81.07054	3.2
83.04988	2.1
84.95805	0.7
85.06547	7.4
86.09710	100.0
89.85561	1.0
91.05480	7.3
93.07056	11.6
95.04977	3.1
95.08597	1.3
96.88965	0.9
97.06501	0.9
98.21494	1.2
99.08108	2.0
105.07032	12.9
107.04915	4.3
107.08598	18.0
109.06526	2.5
109.83422	0.8
111.04438	4.9
117.07032	4.8
119.08582	8.3
121.06528	6.6
121.10138	8.6
123.04397	1.2
123.08076	1.5
128.10770	5.0
129.06950	3.8
130.07762	1.2
131.07594	1.5
131.08569	21.6
132.09210	2.0
132.10208	31.6
133.10220	1.0
135.04393	4.0
135.11723	1.4
137.05939	1.3
137.09598	6.5
143.08618	0.9
145.06497	1.6
145.10126	13.0
147.08075	3.7
147.11681	2.2
149.05978	2.5
149.09628	41.5
155.08585	1.4
156.10193	2.1
163.07556	2.1
163.11177	15.4
165.09125	5.1
165.12839	1.5
167.10681	47.1
173.09619	5.5
191.10670	30.0
202.55136	0.8
202.85588	0.9
206.15370	1.6
208.13358	1.1
209.11746	42.1
210.14882	5.8
238.14372	3.0
252.15977	1.2
256.15381	2.0
258.18509	2.9
276.19604	19.4
294.20670	12.5
304.19043	3.9
309.09671	1.1
322.20181	18.2
340.21219	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.5
55.05520	13.1
57.03442	5.1
64.49035	1.7
65.03962	2.4
65.40160	1.8
67.05178	2.6
67.05515	45.9
69.03451	4.6
69.07079	13.1
70.77077	5.5
71.04984	4.2
71.89956	1.7
79.05497	15.9
81.07067	49.7
81.69719	1.9
83.05000	25.7
83.08619	3.6
85.06548	8.4
86.06070	12.0
87.04525	2.0
91.05492	33.8
93.07063	25.3
95.04981	5.1
95.08606	11.2
97.06541	3.1
97.10149	1.9
99.08103	3.6
105.07043	34.7
107.05000	2.0
107.08608	38.9
109.06525	4.3
109.10168	58.3
110.10527	1.9
117.07066	1.9
119.08590	4.8
120.52367	2.0
121.06499	2.3
121.10152	6.0
123.08092	4.1
123.11715	14.8
131.08571	7.3
133.06490	2.8
133.10147	94.5
135.08101	2.0
135.11710	2.4
137.09608	3.2
143.08678	2.3
144.61591	1.9
145.10191	2.3
146.18459	2.0
149.09570	4.1
151.11205	100.0
161.09581	2.2
177.09122	5.2
179.10683	12.8
183.13814	35.1
183.15346	3.0
229.14368	3.2
245.19217	2.5
273.18521	9.4
291.10327	1.8
291.19464	9.0
305.21103	7.3
340.13885	2.1
340.23862	2.5
340.28870	8.0
340.35620	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	340.2847
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
54.24093	0.9
55.05516	12.0
57.07067	3.6
60.04531	24.1
60.08170	1.1
64.65410	1.1
65.82555	1.0
67.05507	10.4
69.03424	1.2
69.07070	19.0
71.05002	1.2
71.08649	1.6
71.57956	1.3
72.08175	1.0
79.05488	3.0
81.06626	1.6
81.07058	12.0
83.08619	13.5
87.04462	1.2
91.05475	4.2
93.07031	3.3
95.08607	12.1
97.06544	1.7
97.10176	8.0
99.08134	1.0
99.22703	1.1
105.07035	2.1
107.08598	3.8
109.10191	6.2
111.08095	1.9
111.11716	2.0
119.08588	4.0
121.10157	3.5
122.10469	1.0
123.08058	1.2
123.11720	3.3
128.83090	0.9
133.10121	3.1
135.11676	1.1
137.09584	1.1
137.13237	1.3
142.15913	8.0
147.11702	4.2
153.11128	1.3
154.12277	3.7
161.13214	1.7
163.14856	1.5
165.12770	1.2
169.55867	1.1
172.13324	1.9
181.23204	1.0
245.22725	2.1
263.23758	3.4
273.86627	1.1
280.26407	8.7
298.27478	11.8
312.56857	1.1
322.27457	2.4
340.28503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20266	13.9
58.11585	16.5
69.03458	18.7
69.37856	100.0
69.38209	15.8
69.86027	13.4
71.05003	19.4
75.93404	12.8
77.33014	12.2
79.21950	13.1
79.93423	13.4
85.02917	48.3
95.95850	12.7
97.02874	19.8
98.97598	18.6
99.62867	12.0
101.42159	11.7
108.62566	12.6
137.05997	31.0
145.04868	13.3
194.07155	26.1
195.10649	14.3
225.06409	33.4
225.23405	13.8
250.07312	12.4
251.06734	15.7
300.50107	15.7
333.78381	13.7
341.06424	85.6
341.12302	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	341.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32790	2.4
54.47593	2.7
55.01871	4.2
55.05513	3.5
56.96564	15.3
57.03436	4.4
61.02919	6.3
67.05498	4.0
69.03436	15.6
69.07078	4.3
69.41070	18.6
70.06573	7.6
71.04980	8.4
73.02882	4.3
79.05486	6.6
79.85425	2.4
81.03421	8.3
81.07054	7.1
82.05958	2.5
83.04980	6.2
84.08144	7.7
84.96043	5.4
85.02905	31.2
85.03385	3.7
85.06531	10.1
87.04478	5.1
89.21822	2.2
91.05498	8.5
93.07050	6.5
93.38908	2.5
95.08598	3.3
97.02888	13.4
98.20760	5.5
98.97587	37.9
103.05484	5.8
105.07042	5.1
107.04941	6.8
107.08568	3.7
109.02889	4.8
109.06506	3.8
110.07128	2.2
110.97585	13.3
111.04459	3.8
111.35931	2.3
112.99163	3.0
115.03960	2.4
116.98622	13.6
117.03368	4.4
119.04961	6.5
121.06516	5.1
121.10156	3.2
122.03590	3.0
122.07122	4.2
123.04406	9.2
123.08065	3.6
127.03908	10.6
128.06195	5.0
128.98605	15.6
129.06993	6.7
131.00172	3.5
131.04929	11.6
133.02849	3.1
135.04434	4.4
135.08133	2.7
137.05975	100.0
143.00206	4.4
144.05687	4.3
145.02821	3.5
145.04951	5.9
146.99683	5.3
147.04420	12.3
149.05922	3.1
151.07527	8.8
157.06493	3.6
158.99681	6.2
160.05139	3.4
161.05960	9.9
162.05444	2.6
163.03951	16.4
163.07559	8.1
167.07130	3.4
170.04205	2.6
170.99626	4.8
171.07976	3.0
172.05251	6.7
174.06772	7.2
175.07578	7.4
177.00735	6.9
177.05513	4.0
178.08614	4.1
179.03391	34.1
179.07022	11.0
179.08774	3.3
180.08775	19.5
187.07527	33.2
189.00844	2.7
189.09125	12.6
191.07019	3.4
191.08574	4.2
199.07472	4.0
200.00041	3.2
202.07616	2.7
203.08585	11.1
205.04796	3.1
205.06609	3.6
211.07521	3.4
217.08310	13.5
219.01746	28.6
219.08032	7.5
220.08916	4.0
227.06946	4.6
231.08006	12.3
231.11502	3.3
232.08684	4.0
235.07481	3.0
236.08235	3.2
237.02818	38.6
237.09116	2.9
242.07669	2.5
247.07582	9.2
248.08340	16.8
251.06682	4.3
251.10825	5.4
253.08464	2.9
259.07471	5.1
261.08987	3.6
263.06900	4.5
263.10794	13.7
264.07816	3.7
265.08627	5.3
270.08911	7.1
271.09741	4.3
277.08774	6.3
277.11841	16.2
279.10187	10.3
283.09457	3.0
291.10156	30.5
293.08148	6.9
296.10455	7.2
305.09079	8.4
305.64301	2.5
308.10455	5.8
311.12906	15.6
323.12830	38.3
341.05869	3.7
341.07797	4.4
341.13168	58.2
342.11642	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	341.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01865	2.4
55.05503	4.0
56.96563	16.0
57.03445	12.8
57.07065	2.6
59.04982	2.3
61.02922	9.3
65.03926	2.7
67.05497	4.3
69.03438	22.4
70.06582	7.4
71.04995	32.9
71.57405	3.6
73.02899	7.3
75.04465	1.7
79.05483	2.7
81.03416	13.3
81.04536	2.8
81.07043	3.6
83.04968	8.6
84.08138	7.1
84.95991	2.9
85.02909	85.9
85.06555	3.8
86.43194	1.9
87.04465	5.6
89.00784	2.5
91.03951	2.0
91.05438	13.7
93.07043	4.6
94.04173	3.0
95.04977	3.5
97.02374	2.3
97.02908	23.2
98.97588	83.9
99.04458	4.8
99.97897	2.4
101.00881	3.5
101.06002	2.4
102.57822	1.8
103.05482	3.0
107.04949	3.9
107.08620	2.5
109.02840	5.7
109.06506	2.3
110.07148	2.7
110.97583	9.9
111.04428	3.9
112.99175	3.4
116.98627	29.4
119.01854	4.7
119.04927	15.8
120.04408	2.5
121.01643	2.0
121.02898	2.1
121.06509	9.7
122.03659	4.9
122.07133	6.2
123.04440	6.9
124.99126	2.6
127.03932	15.0
128.98625	7.6
129.03102	3.2
129.05481	9.5
129.07019	4.3
130.08693	2.2
131.00169	4.2
131.01810	3.0
131.04924	9.2
134.06039	3.1
134.99644	4.8
135.04399	3.8
136.07555	4.5
137.05980	100.0
138.06322	4.0
140.00177	2.8
143.00185	7.6
143.01923	6.7
143.10696	3.6
145.01701	2.8
145.02748	2.1
145.04980	9.5
146.99666	5.6
147.03246	3.5
147.04393	21.6
148.04826	4.3
149.01222	3.7
149.05931	3.7
151.07523	5.8
153.05499	3.6
157.03456	2.8
157.06470	3.2
158.99675	25.8
161.01234	9.6
161.02960	4.1
161.04729	2.5
161.05983	2.6
162.03549	3.1
163.03912	10.3
163.07585	4.2
165.05499	5.8
167.07068	16.1
170.99669	5.3
172.05200	3.3
173.01265	3.2
173.02931	2.9
174.06728	4.1
175.07585	5.9
177.00731	14.9
177.05513	7.9
178.03925	4.8
179.02190	5.1
179.03561	10.8
179.06967	9.4
179.08302	27.3
180.08879	14.4
185.01305	2.5
185.02916	3.0
185.06610	2.5
187.04453	11.7
187.07547	17.5
189.00705	3.8
189.09103	6.7
191.02287	2.8
191.07018	3.3
192.04694	5.2
197.01221	3.9
197.03090	3.3
197.04825	3.2
197.08058	2.5
201.05202	4.3
202.05814	3.6
203.02214	2.4
203.03958	3.4
203.08554	4.6
205.06505	2.3
207.03271	2.4
209.08028	2.5
211.02811	4.3
215.07635	2.5
217.08630	8.9
219.01791	16.2
219.08107	2.6
220.02246	2.7
220.08472	2.5
221.03270	6.1
225.06389	2.0
227.02415	2.2
227.04654	2.0
227.07013	5.8
227.09106	2.8
229.03798	4.1
231.08069	8.4
236.07364	6.5
237.02805	14.7
239.04344	32.1
239.06760	2.7
242.07397	3.7
242.57610	2.2
247.07344	3.8
248.08331	7.0
250.06956	10.1
251.06769	52.7
251.56921	3.1
253.03830	6.0
255.06799	2.6
259.07730	2.2
260.07333	5.6
263.10681	8.9
264.07791	2.4
269.07956	2.9
270.08878	4.8
271.09641	6.1
271.57971	3.4
274.08359	2.6
275.09579	3.0
276.07932	4.3
277.11703	2.9
279.10202	5.7
281.05325	15.2
291.10181	16.4
293.08054	3.0
293.10919	5.9
295.04822	2.9
296.10233	3.4
297.11145	6.4
304.07895	3.0
305.11215	3.5
311.12720	6.7
313.23364	2.5
321.08658	4.0
323.12842	18.5
341.13446	17.8
342.11600	14.0
355.07080	13.3
359.02808	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	341.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
67.28872	0.2
68.05032	0.2
69.03425	0.4
69.46571	1.0
72.04513	0.2
72.08157	0.2
73.35250	0.1
87.04473	0.5
91.05482	0.4
93.03403	0.4
93.07035	0.2
97.02874	0.2
103.05486	0.8
104.01876	0.1
111.04422	0.7
115.05504	0.2
118.06534	0.7
120.04441	0.2
121.02877	0.2
121.06544	0.3
122.03686	0.2
125.02370	0.4
128.05014	0.2
129.07004	0.2
130.06534	100.0
131.06856	0.8
137.06003	2.1
138.05533	0.4
139.03905	4.6
144.08102	0.3
146.06021	1.3
151.02667	1.1
151.07559	0.2
154.05009	0.3
161.06026	0.2
166.05008	16.9
167.07054	0.3
176.07085	0.2
179.08949	0.3
187.07512	0.9
188.07011	0.7
189.09158	0.2
194.04509	0.2
212.05556	13.1
213.05727	0.2
217.08646	0.3
220.21945	0.2
240.07713	0.2
248.08499	0.3
251.10936	0.2
259.06793	0.2
263.10733	0.3
270.09103	0.2
271.09686	0.2
279.10181	0.2
281.11938	0.2
291.10236	0.6
296.36765	0.2
309.11740	0.4
311.12668	0.4
323.12839	0.8
341.11194	0.7
341.14795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01874	1.1
61.43793	1.0
63.33672	0.9
69.03432	1.2
69.07074	1.9
69.24225	10.4
79.05503	3.4
81.07063	2.6
82.09358	1.0
89.03947	1.2
91.05487	4.0
93.03436	1.2
93.07058	1.4
94.04170	3.0
95.04960	2.0
98.21511	2.4
103.05471	2.6
107.04970	1.6
109.06497	2.3
115.05507	1.3
121.10145	1.5
122.03656	7.2
125.06001	1.3
128.06262	3.4
129.06998	7.6
131.04958	3.9
131.08585	1.2
137.05981	100.0
138.85826	0.9
144.05717	2.0
145.02840	1.7
149.05997	2.5
151.03976	2.2
151.07579	3.9
157.06496	6.1
160.05196	2.6
161.06017	3.0
163.07545	2.2
165.05464	2.4
165.06824	1.4
171.08008	1.7
172.05133	4.9
172.78244	1.0
173.06000	1.5
174.06808	10.1
175.07590	8.6
177.05501	6.1
185.06053	1.6
187.07549	38.7
188.08240	1.8
189.09117	18.6
190.07860	2.3
191.08624	3.8
199.07509	3.5
202.07773	2.5
203.08589	13.0
206.07303	1.2
208.08870	1.6
211.07516	3.0
217.08594	24.2
218.07269	1.9
219.08035	11.1
220.08861	4.8
221.09674	1.5
225.09125	1.5
227.07109	4.6
231.08043	13.8
232.08832	3.7
233.05930	1.4
233.09642	2.0
235.07657	1.7
236.08365	3.7
237.09137	3.7
239.06978	1.3
240.07848	3.2
241.08739	1.1
245.09732	1.3
247.07591	7.7
248.08302	17.0
249.09105	3.1
251.10622	6.2
253.08601	2.8
255.06615	2.6
259.07523	4.4
260.08386	3.3
261.09189	3.2
262.09827	1.4
263.07458	1.8
263.10663	15.3
264.07822	3.3
265.08606	4.1
270.08859	9.9
271.09647	8.4
276.07736	7.6
277.08582	3.8
279.10190	12.8
280.10825	1.8
281.08069	2.2
283.09732	3.1
291.10168	40.2
292.10748	3.6
293.08109	4.4
293.11404	1.2
295.09924	1.5
296.10434	9.3
297.11212	2.0
305.11740	1.7
305.96155	1.0
308.10437	4.2
309.11264	1.9
311.09543	2.0
311.12793	18.7
323.12778	37.4
341.13690	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	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01860	1.3
58.50613	0.7
65.03951	0.8
66.27265	0.7
66.27651	0.7
69.03441	1.1
69.23029	5.9
69.23440	2.3
71.04981	1.0
74.65027	0.6
77.03925	1.0
81.03404	1.2
81.07040	1.0
81.58038	0.8
91.05472	2.8
94.04188	2.9
95.04981	1.4
95.27927	0.7
103.05466	1.5
105.07064	0.7
107.04957	1.5
109.06516	3.1
111.04432	1.4
115.05448	1.0
119.05007	1.0
122.03661	8.0
128.06245	2.0
129.07007	8.3
131.04945	3.1
131.08569	1.0
137.05984	100.0
143.08583	1.3
144.05713	4.0
146.03514	0.9
147.04446	1.3
149.05992	1.8
151.03862	1.5
151.07532	3.5
153.05511	0.9
157.06479	5.3
158.07307	1.3
159.04431	1.2
160.05203	1.3
161.05972	1.4
161.09633	1.4
163.07555	1.8
165.05482	2.6
171.08057	1.9
172.05206	4.1
174.06760	10.9
175.07559	5.7
177.05473	1.5
179.07089	0.9
179.08572	0.8
187.07559	36.1
188.08269	1.5
189.09119	15.9
190.07784	1.6
191.07047	1.5
191.08575	4.3
199.07535	4.3
202.07819	3.8
203.08551	10.7
205.06551	2.3
207.07773	5.1
208.08870	1.6
211.07550	2.0
217.08609	20.1
218.07359	1.6
219.08063	9.4
220.08847	4.7
221.05923	1.1
227.07048	3.2
230.07387	1.3
231.08041	12.8
232.08882	2.8
233.05997	2.0
233.09613	1.7
234.06664	1.0
235.07593	1.3
236.08241	4.0
237.09087	2.9
240.07933	2.0
247.07568	6.5
248.08356	16.6
249.05327	0.8
249.09169	2.2
250.06305	1.2
251.10785	5.9
253.08665	2.0
255.06505	1.8
259.07541	5.1
259.97614	0.7
260.08301	2.7
261.09155	2.9
262.10095	0.7
263.07043	1.5
263.07547	1.1
263.10687	15.7
264.07837	2.8
265.08624	5.0
268.07318	1.6
270.08902	4.9
271.09598	5.2
276.07797	7.6
277.08649	2.8
279.10187	14.0
280.10956	1.8
281.08060	2.5
281.11777	1.2
283.09720	3.0
291.10168	38.1
292.10947	2.6
293.08081	5.6
293.11472	1.3
295.09692	1.1
296.10483	8.1
297.11203	1.7
308.10260	3.6
309.11011	1.3
311.12817	14.6
323.12769	39.2
341.13846	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	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03941	1.3
55.01852	1.2
56.96560	1.1
57.03442	1.3
60.51857	1.1
65.03948	1.6
69.03451	1.0
69.55452	6.8
70.06593	1.4
71.04993	2.8
73.02924	1.7
79.05493	3.3
81.07067	2.5
85.02904	3.5
91.05492	6.7
91.25653	1.4
94.04205	2.8
95.04941	2.0
97.02895	1.9
98.21182	4.5
98.97549	1.6
103.05446	2.3
103.60674	1.2
105.07030	4.2
107.04966	1.3
109.06551	2.7
111.04429	1.1
115.05445	2.6
119.04948	1.9
119.08630	1.1
121.06544	2.0
122.03680	9.4
123.04419	1.1
125.06032	1.4
128.06210	3.6
129.06999	10.0
131.04913	3.0
133.02850	1.5
133.06473	3.2
137.05983	100.0
143.08582	1.9
144.05746	3.6
145.06526	2.2
146.07256	2.0
147.04405	2.3
149.05997	2.7
151.03926	2.7
151.07573	5.6
153.05457	2.6
157.06485	7.1
158.07196	2.0
159.08090	1.9
160.05183	2.2
161.05933	6.4
163.07542	3.2
165.05562	1.7
171.08052	1.8
172.05226	8.8
174.06793	16.9
175.07582	14.0
177.05461	2.8
177.09167	1.9
187.07564	47.2
188.08272	2.1
189.09103	18.6
190.07806	2.4
191.08549	4.5
196.05270	1.5
199.07616	7.4
202.07826	3.8
203.08556	11.5
205.06516	1.9
208.08934	2.5
211.07539	3.8
217.08603	29.3
218.07291	2.7
219.08040	13.5
220.08842	6.3
221.09659	2.2
227.07014	2.3
231.08087	15.0
232.08852	4.6
233.05934	3.1
233.09624	3.5
235.07550	2.0
236.08356	3.4
237.04427	2.5
237.09132	3.6
239.07077	3.1
240.07764	3.1
247.07596	7.4
248.08334	16.9
249.09117	2.1
250.06204	1.7
251.10649	9.5
253.08727	2.9
254.09367	1.5
255.06535	2.1
256.07278	1.8
259.07541	3.2
260.08444	2.4
261.09146	3.5
262.09833	1.5
263.07324	1.8
263.10681	13.6
264.07828	4.8
265.08627	5.8
270.08914	3.9
271.09586	11.6
275.09927	1.8
276.07953	6.3
277.08560	3.3
279.10184	16.7
280.10828	2.9
281.08026	3.7
281.11115	1.1
283.09705	3.4
288.19019	1.1
291.10159	34.0
292.11047	1.6
293.08044	5.3
293.11349	1.5
296.10452	12.3
297.06271	1.4
297.11389	2.1
308.10358	4.3
311.12790	26.6
313.14334	1.7
323.12781	37.4
341.13998	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	341.1386
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.57379	1.0
51.09960	0.9
51.83414	0.9
55.02549	0.8
64.18729	1.1
71.04977	3.5
71.30814	1.3
79.05505	2.0
81.07066	1.3
91.05488	3.5
94.04201	2.5
95.04926	1.5
103.05455	2.6
105.07042	1.1
107.04959	1.3
109.06538	2.8
115.05441	1.6
119.04987	1.2
119.08614	1.1
122.03683	7.3
128.06230	1.2
129.07040	6.6
130.44908	1.0
131.04916	2.5
132.05667	1.4
133.02858	5.4
137.05989	100.0
143.04951	2.2
144.05719	3.3
145.06499	1.8
146.07214	1.3
147.04379	1.2
149.06024	3.0
151.03970	2.2
151.07559	5.3
153.05528	1.6
155.04865	1.0
155.67068	0.9
157.06497	4.3
158.07318	1.4
160.05217	3.5
161.05998	3.8
163.07626	1.6
165.05469	3.1
167.07047	1.5
168.05757	1.1
171.08121	1.7
172.05196	5.7
173.05890	1.0
174.06784	7.5
175.07561	17.6
176.08318	1.2
177.05511	3.1
177.09081	2.1
179.07060	2.3
185.44029	0.9
187.07562	37.2
189.09108	10.7
190.07758	1.6
191.08586	3.7
196.05241	3.7
197.05981	2.3
199.07558	5.0
202.07808	4.4
203.08580	12.9
205.06599	2.0
205.08531	1.8
207.08124	1.1
208.08919	1.6
211.07547	16.3
212.04779	1.4
213.05382	2.1
217.08615	13.8
218.07381	1.7
219.08096	7.1
220.08829	5.6
221.06044	1.5
221.09641	2.1
225.05447	1.8
227.07043	17.3
228.07820	3.0
231.08041	14.2
232.08931	2.4
233.05972	2.3
233.09627	1.6
235.07486	1.2
236.08281	2.2
237.09106	2.1
239.07037	9.6
240.07822	10.0
241.04990	1.5
241.08591	1.5
247.07533	6.8
248.08342	20.7
249.09206	1.7
251.10703	6.5
253.08531	2.1
255.06544	14.0
256.07318	6.6
256.20627	0.9
259.07578	4.0
260.08273	2.4
261.09280	2.2
262.09961	1.3
263.07596	1.8
263.10663	16.7
264.07788	2.7
265.08670	4.3
268.07358	2.3
269.08051	1.7
270.08887	28.0
271.09674	35.8
276.07828	9.2
277.08603	6.4
279.10245	11.3
280.10843	2.6
281.08206	1.5
281.11575	2.0
283.09695	8.9
290.09430	2.1
291.10181	50.0
292.10910	3.9
293.08081	6.0
293.11002	1.2
295.09775	2.0
295.13144	1.4
296.10483	6.1
297.11227	1.8
305.11810	2.2
308.10547	5.6
309.11243	2.1
311.12790	12.3
313.14377	1.5
323.12784	37.6
341.13867	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
67.05495	1.6
71.04995	3.4
71.19947	1.9
79.05496	1.8
81.07047	2.4
87.04469	2.9
91.05508	7.1
95.05024	1.8
105.07015	2.0
105.35854	1.4
109.06535	2.2
115.05444	2.3
117.03384	3.0
119.04940	2.0
121.06500	3.5
122.03628	10.9
128.06235	2.2
129.07011	6.5
130.06535	23.9
131.04944	2.5
133.02863	4.1
133.06609	1.9
137.05983	100.0
137.76212	1.6
144.04465	1.6
144.05632	3.4
145.02855	5.2
145.06499	2.5
146.03172	4.4
147.04410	1.9
147.06366	1.5
147.08055	1.9
149.05986	4.5
151.03905	2.4
151.07530	3.9
155.93242	1.6
157.06471	5.4
161.05981	4.3
161.09489	1.7
163.03973	1.9
165.05489	4.2
166.05048	5.0
172.05205	5.5
174.06764	6.1
175.07562	26.6
175.09074	2.8
177.05493	12.0
177.09119	3.8
178.05783	5.5
179.05881	3.7
179.08778	2.1
187.07555	34.3
189.09113	10.0
191.07033	1.9
191.08568	3.8
196.05194	2.8
199.07469	2.9
202.07758	3.5
203.08591	9.8
205.06793	3.2
211.07585	10.8
212.05537	2.4
213.05559	2.2
217.08585	11.7
219.07996	8.9
220.08943	3.9
227.07022	14.4
231.08080	9.6
235.07539	2.3
236.08232	2.0
237.09111	2.4
239.07124	8.0
240.07816	8.1
241.08588	1.7
247.07523	5.4
248.08366	17.9
249.09058	3.6
251.10573	8.3
255.06529	14.3
256.07388	4.4
259.07620	4.1
260.08197	2.0
261.09116	1.9
262.10294	1.6
263.10699	16.2
264.07895	2.7
265.08691	4.6
268.07233	2.4
269.08038	2.6
270.08881	26.6
271.09647	28.3
276.07846	5.4
277.08630	3.2
279.10281	10.2
280.10962	3.1
281.11682	2.4
283.09622	6.4
291.10181	45.6
292.10941	3.2
293.08078	5.8
296.10461	7.1
297.11087	1.7
305.11475	2.9
308.10464	4.5
309.11362	4.6
311.12787	14.4
313.14169	1.8
323.09290	2.8
323.12839	39.5
341.13995	34.4
344.92966	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.85400	0.8
71.30373	1.5
79.05498	1.0
81.07088	1.0
91.05514	1.9
94.04161	2.4
98.21005	0.9
99.80033	0.9
107.04988	1.2
109.06502	2.7
112.68497	0.9
122.03661	7.4
127.15009	0.8
128.06216	1.7
129.07013	9.2
131.04961	2.7
131.08583	0.8
133.02890	1.5
137.05981	100.0
143.08539	1.8
144.05730	3.0
148.35072	0.8
149.06007	2.1
151.03963	1.4
151.07547	2.8
153.05412	1.1
157.06480	5.8
160.05190	2.0
161.05994	1.5
163.07532	2.0
165.05411	1.7
171.08072	2.1
172.05170	6.3
174.06793	11.2
175.07607	5.3
179.07066	0.9
185.06026	1.3
187.07549	40.3
189.09119	14.7
190.07848	1.3
191.07037	1.4
191.08588	3.8
199.07562	5.7
202.07747	3.4
203.08594	10.8
205.06532	1.2
207.08086	1.0
208.08806	0.9
211.07585	2.0
217.08617	21.4
218.07253	1.4
219.08041	10.9
220.08844	5.8
221.06038	1.1
221.09633	1.1
227.07013	2.4
231.08034	14.3
232.08818	2.9
233.09644	1.4
235.07524	2.6
236.08293	3.4
237.09184	2.8
239.07153	2.6
240.07953	1.7
247.07582	8.1
248.08362	11.8
249.09090	1.1
251.10626	6.7
253.08595	3.0
255.06572	3.1
259.07608	4.8
260.08304	2.4
261.09180	4.0
262.09906	1.8
263.07083	2.5
263.10675	18.5
264.07806	3.2
265.08557	4.2
266.09137	1.1
270.08929	5.0
271.09607	5.6
276.07825	7.4
277.08646	3.1
279.10211	12.7
280.10806	1.7
281.08084	2.7
281.11362	0.9
283.09671	3.0
291.10159	35.5
292.10931	3.5
293.08087	5.6
296.10406	10.2
297.11169	1.9
308.10364	3.6
309.11264	1.0
311.12778	18.3
313.14215	1.1
323.12781	38.2
341.13849	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	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03962	0.9
65.69634	1.0
69.82997	1.1
69.94849	4.5
79.05508	2.2
81.07063	2.2
82.17517	0.9
85.75127	1.0
86.50102	1.1
91.05497	2.9
93.07062	2.6
94.04208	2.6
95.04938	1.2
98.20761	1.1
99.22813	1.0
105.07062	1.2
107.05015	1.2
107.08626	1.7
109.06538	1.8
115.05454	1.8
121.06496	1.2
121.10164	2.4
122.03641	5.8
125.31434	0.9
128.06227	2.2
129.07011	7.2
131.04977	2.1
131.08566	1.1
135.74776	1.0
137.05984	100.0
143.04979	1.0
143.08635	1.2
144.05746	3.2
146.03584	1.1
147.04433	2.0
149.05994	1.3
151.03850	1.1
151.07529	3.6
153.05498	1.3
157.06487	3.6
158.07269	1.4
159.08163	1.2
161.06000	3.3
163.07603	2.2
165.05501	1.6
171.08057	2.4
172.05211	4.5
172.06586	0.9
174.06770	9.0
175.07579	10.1
179.07063	1.0
187.07562	30.4
188.80931	1.0
189.09134	12.5
190.07774	2.0
191.08566	4.0
199.07527	5.2
202.07802	3.4
203.08565	10.2
205.06487	2.4
208.08763	1.3
217.08591	18.8
219.08063	9.4
220.08849	3.3
227.07088	1.9
231.08075	13.3
232.08730	3.2
233.05975	1.9
233.09601	2.7
235.07565	1.8
236.08340	3.4
237.09200	2.4
239.06897	1.1
240.07755	1.4
241.08571	1.1
247.07553	5.6
248.08310	11.0
249.09088	1.9
251.10658	8.6
253.08627	2.4
255.06543	1.3
259.07578	3.8
260.08334	2.9
261.09067	4.4
263.10693	12.9
264.07803	2.9
265.08710	4.8
270.08777	4.6
271.09671	2.8
276.07846	6.7
277.08603	2.9
279.10214	13.9
280.10950	2.0
281.07962	1.9
283.09695	2.9
291.10156	25.9
292.10855	3.5
293.08075	4.4
293.11099	1.1
296.10428	6.9
305.11975	1.4
308.10455	2.3
311.12827	17.3
313.14392	1.4
323.12796	31.0
341.13852	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	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01871	0.8
56.37669	0.6
64.96471	0.7
65.03920	1.0
69.03425	1.0
71.56941	1.0
72.08153	0.8
72.99111	0.5
79.05492	2.3
80.98830	0.6
81.07052	2.5
84.08138	1.8
86.09709	2.0
91.05489	4.9
93.07053	3.5
94.04180	1.9
95.04975	1.7
97.02971	0.6
103.05466	2.8
105.07028	6.0
107.04987	1.0
107.08610	1.3
109.06538	2.3
111.04417	0.7
115.05487	3.8
116.06282	0.6
117.06994	1.4
118.04234	0.8
119.05005	1.7
119.08588	2.6
121.06519	12.3
121.50847	0.6
122.03660	6.6
123.04436	1.7
123.64986	0.6
128.06224	2.1
129.07013	2.9
131.04944	1.3
131.08585	0.9
132.05722	1.6
133.06509	3.7
137.05981	100.0
143.04909	0.9
144.05690	1.2
145.06462	1.7
146.03555	1.0
147.04408	2.3
147.08081	3.2
149.06004	1.5
149.09628	1.3
151.07576	1.4
155.04944	1.0
157.06485	1.6
159.08061	2.2
160.05180	2.2
160.65346	0.8
161.05991	9.5
165.06981	1.0
171.08044	0.9
172.05199	1.7
175.07567	26.4
176.14368	2.3
177.14717	1.9
178.08615	1.7
184.05344	0.9
187.07570	10.4
189.07152	1.4
189.09108	1.5
190.07816	4.2
191.08578	9.7
199.07524	8.8
202.07751	2.4
203.08548	6.6
205.06476	1.3
208.08881	0.7
215.08620	1.2
217.08569	1.4
218.07207	3.3
219.08052	13.9
220.08865	2.8
231.08058	6.2
232.08829	1.6
233.09631	1.0
235.07520	1.3
236.08371	2.1
237.09125	1.0
247.07588	4.5
248.08372	3.8
251.10686	15.1
252.11066	0.7
253.08896	0.8
258.41772	0.7
259.07602	2.4
260.08362	0.8
261.09048	1.1
263.10675	3.5
264.07962	0.8
265.08710	0.9
266.32297	0.6
276.07794	1.6
277.08661	3.4
279.10150	14.5
280.10867	1.2
281.08069	1.2
291.10135	6.6
292.11029	3.0
293.08084	0.7
295.13327	0.9
296.10519	1.6
302.65015	0.6
308.10269	0.8
309.09421	1.0
311.12799	16.1
323.12778	4.5
341.12433	2.0
341.19403	4.3
342.13257	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	341.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03955	3.4
55.05514	4.5
57.03439	3.2
65.03955	1.4
67.05515	3.1
69.03439	2.7
71.05001	1.5
71.54252	0.9
75.04489	7.4
77.03918	1.3
79.05502	33.8
79.21339	0.7
81.07057	3.1
83.04984	1.6
85.02927	3.5
91.05492	15.1
93.03447	1.1
93.07055	97.2
94.07350	0.9
95.04992	6.4
95.08640	0.7
97.02911	1.4
98.97629	1.2
103.05489	8.0
105.04532	1.7
105.07046	9.8
107.04981	1.2
107.08609	27.8
109.06535	1.8
110.97592	0.8
111.04466	2.5
111.08070	3.8
115.05408	0.8
115.26685	0.7
116.06297	0.8
119.05007	0.8
121.02876	0.7
121.10155	100.0
122.03629	2.4
122.10484	1.1
123.08154	0.9
123.11745	0.9
125.06027	1.7
128.06221	1.0
129.05505	1.4
129.07027	3.2
131.04942	7.9
131.08574	2.5
133.06505	1.2
133.07608	1.0
136.93532	0.8
137.05994	26.0
139.03886	1.4
139.11194	2.0
144.05826	0.7
145.02876	1.1
147.04442	1.2
149.09625	11.2
151.07568	2.0
156.05771	0.8
157.04979	1.4
157.06487	1.2
158.07242	1.0
161.05956	1.7
161.89217	0.9
163.03917	5.3
163.07562	10.1
165.05379	1.0
167.07013	1.4
167.10695	20.9
172.05154	1.2
173.05905	0.7
174.06793	2.7
175.07556	2.6
177.05453	1.5
179.06985	1.4
187.07558	10.1
189.09097	4.3
191.08566	1.1
199.07547	1.4
203.08559	4.1
211.07448	1.1
217.08606	6.1
219.08052	1.7
227.07005	1.2
229.03729	0.9
231.08087	2.8
232.08691	0.9
247.07501	1.9
248.08330	4.2
249.09166	1.3
251.10812	1.8
259.07706	1.0
259.42892	0.7
263.10663	3.9
264.08011	0.9
265.08618	1.6
270.08899	1.7
271.09619	2.8
276.07974	1.3
279.10205	2.5
281.95618	0.7
283.09729	1.3
291.10153	7.8
293.08115	1.3
295.09613	1.0
296.10437	2.7
309.11090	1.3
311.12839	4.6
323.12326	6.2
332.08182	1.3
341.06573	1.8
341.13696	5.1
355.06955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03942	1.7
55.05512	0.8
57.03440	4.1
63.07440	0.7
65.03931	1.7
66.74143	0.6
67.05503	2.1
69.03424	2.0
71.12270	1.4
75.04491	8.4
79.05506	6.8
81.07069	4.3
83.04980	2.2
85.02900	1.0
85.64732	0.7
91.05489	7.1
93.03436	1.4
93.07053	69.9
93.54574	0.6
94.04190	0.7
94.07379	0.7
95.04983	3.8
95.08620	2.1
103.05441	1.0
105.04540	1.2
105.07037	6.8
107.04961	1.0
107.08599	2.4
109.06516	1.4
111.04454	3.4
111.08099	4.7
115.05490	0.6
118.31374	0.5
119.08572	1.1
121.10155	100.0
122.03637	1.3
122.10475	0.7
123.08082	1.0
123.11736	5.0
129.05508	1.1
129.07007	1.6
131.08601	1.5
133.07596	1.1
137.05989	22.7
139.03915	1.6
139.11198	2.4
149.09637	17.3
151.07628	1.3
157.04988	0.8
157.06412	0.9
160.05142	0.8
161.06029	2.0
167.10701	36.0
172.05196	1.1
174.06772	1.7
175.06177	0.6
175.07596	2.2
179.07083	1.1
182.86292	0.7
187.07559	6.4
189.09100	3.3
191.08601	1.7
199.07628	1.1
203.08661	1.7
211.07510	0.9
217.08617	3.4
219.08073	2.4
227.06906	1.1
231.08244	2.6
247.07545	1.9
248.08391	2.8
251.10645	1.2
255.06471	1.2
259.07684	0.8
263.10773	2.9
264.07819	1.0
270.08905	2.2
271.09735	1.0
276.07864	1.5
277.08737	0.9
279.10239	4.3
283.09555	0.8
291.10098	6.2
291.12674	0.7
293.08133	1.2
296.10434	1.1
308.10519	0.7
311.12820	3.3
321.58139	0.7
323.12253	6.3
341.14023	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	341.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.2
53.03944	3.0
55.01843	0.7
55.05506	4.9
57.03438	2.3
62.61614	0.8
65.40807	0.6
67.05519	3.4
69.03432	2.8
75.04487	3.9
77.03925	2.2
79.05498	37.2
81.03416	1.0
81.07066	4.7
83.04987	3.1
85.02939	0.9
91.05487	14.8
93.07050	94.7
94.07335	1.1
95.04967	4.8
97.10139	1.0
98.20721	1.7
103.05474	2.3
103.74378	0.7
105.04543	1.7
105.07039	8.1
107.08604	29.3
109.06551	0.8
111.04460	3.1
111.08102	3.0
119.08617	2.5
120.61683	0.7
121.06576	1.9
121.10152	100.0
122.03636	0.7
122.10442	1.0
123.08076	1.2
125.09637	2.8
129.05453	1.2
129.07085	0.9
131.04933	1.5
131.08592	1.6
133.07584	0.9
137.06001	8.1
139.03935	1.0
139.11195	1.8
147.06462	0.7
149.09630	10.6
157.04974	1.0
163.03923	0.7
163.07602	0.9
167.10690	15.7
170.40810	0.7
174.06702	0.8
175.07635	0.8
182.05000	2.0
187.07565	2.2
189.09138	1.2
208.02892	1.1
215.54007	0.8
217.08690	1.3
225.09497	1.6
248.08455	0.8
259.07562	0.9
267.10507	1.9
270.08853	1.0
271.09521	1.0
279.10248	1.2
291.10065	2.1
311.12848	1.5
323.12497	1.5
341.14011	0.8
341.15994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03942	1.3
55.01883	0.8
55.05512	0.8
57.03445	3.8
60.81638	0.5
65.03947	0.9
67.05501	1.9
67.11106	0.5
69.03443	1.0
69.95021	0.4
70.10359	0.9
70.10772	1.5
73.12096	0.4
75.04481	5.1
77.03921	0.5
78.04653	0.5
79.05504	8.1
81.07056	3.9
83.04981	2.0
85.02928	0.6
91.05485	7.9
93.03406	1.4
93.07056	63.8
94.07403	0.5
95.04994	3.0
95.08616	1.2
95.88881	0.5
96.34030	0.4
98.21462	0.6
100.58776	0.5
101.45649	0.5
103.05470	1.1
105.07037	5.7
105.52768	0.4
107.04974	0.9
107.08577	3.5
108.61377	0.5
109.06532	1.2
111.04452	2.1
111.08092	3.0
115.05452	1.0
119.08575	1.0
121.10156	100.0
122.03654	2.0
122.10446	0.7
123.08090	0.9
123.11716	3.5
125.05992	0.9
129.07019	2.6
131.04930	1.3
131.08585	1.5
131.58061	0.5
132.05806	0.5
133.02872	1.4
133.06551	1.0
133.07550	0.8
137.05991	24.7
139.03923	0.6
139.11208	2.7
144.05717	0.8
147.04442	1.0
147.06747	0.5
147.08022	0.8
149.06067	0.8
149.09634	14.7
151.03941	1.5
151.07556	1.2
157.06535	2.0
159.08055	0.8
161.05969	2.5
162.06821	0.5
167.06998	0.9
167.10701	25.2
170.42345	0.5
172.05170	0.7
174.06799	1.6
175.07567	5.6
177.09203	0.6
187.07532	5.7
189.09129	3.3
191.08566	1.8
199.07593	1.6
202.07817	0.7
203.08588	2.3
211.07613	0.8
217.08636	2.8
218.07356	0.7
219.08073	3.3
220.08896	0.7
221.09575	0.7
227.06967	0.9
231.08080	2.7
232.08669	0.6
247.07504	1.0
248.08331	2.5
249.09207	1.1
251.10600	2.4
252.28011	0.6
259.07614	0.7
261.09149	0.9
263.10693	1.7
264.07755	0.9
265.08670	1.0
270.09048	1.0
271.09695	1.2
276.07855	1.2
277.08655	0.5
279.10284	2.7
281.08243	0.5
281.11676	1.0
289.30630	0.6
291.10199	4.9
296.10434	1.1
308.10352	0.8
309.11362	1.5
311.12811	4.0
323.12833	3.3
341.13736	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	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01873	7.2
55.05516	13.1
57.03439	2.6
58.62793	1.3
65.03936	2.1
67.05508	26.2
69.03430	28.6
69.07063	10.6
71.04991	10.0
71.58080	2.2
79.05501	20.4
81.03416	25.6
81.07060	37.3
83.04984	16.5
83.08630	6.2
85.02912	8.2
85.06551	6.2
87.04480	7.6
88.04790	2.9
88.64108	1.4
91.05481	27.6
93.07045	26.0
94.04201	3.2
95.04954	9.9
95.08609	40.1
95.11117	1.3
95.63046	1.3
97.02901	11.9
97.06512	9.7
97.10163	4.0
98.97594	2.1
99.04462	5.1
99.08084	3.5
103.05502	2.6
105.07046	26.0
105.07701	3.0
105.98170	1.3
107.04961	6.3
107.08607	13.9
109.02889	7.0
109.06513	10.9
109.10155	9.5
111.04437	4.0
111.08076	2.3
115.03934	2.4
115.05473	2.9
117.06999	9.1
119.04948	2.7
119.08582	18.6
121.02903	1.6
121.06528	6.8
121.10126	10.1
122.03680	8.0
123.04425	4.7
123.08063	7.2
125.05968	2.5
127.03922	13.0
128.06242	4.8
129.07007	13.0
131.04970	3.3
131.08554	8.4
132.05708	1.7
133.02866	3.1
133.06517	6.6
133.10124	11.2
135.08052	5.8
135.11685	8.0
137.05981	100.0
137.09573	3.2
137.13246	3.6
141.06966	2.5
143.08560	4.8
144.05737	3.2
145.06476	4.0
145.10085	6.9
146.03468	1.7
147.04424	2.4
147.08052	6.3
147.09146	1.5
147.11710	4.4
149.05928	3.6
149.09648	2.3
149.13274	2.2
151.03940	3.6
151.07539	19.3
151.11087	1.7
153.05566	1.5
153.18288	1.4
155.08575	1.6
157.06500	6.4
157.10143	4.1
159.08121	4.4
159.11732	3.4
161.06046	8.7
161.09650	2.9
161.13252	17.8
163.05963	1.3
163.07579	4.7
163.11066	1.6
165.05566	3.6
165.06984	2.1
167.07094	3.7
169.08521	1.3
169.10201	1.8
171.08037	2.0
171.11670	2.2
172.05171	4.3
173.05989	1.9
173.09521	2.1
173.11804	3.4
173.13229	3.3
174.06688	7.2
175.07549	17.4
175.14862	1.9
177.05476	3.5
177.12782	1.6
179.07068	3.5
179.10718	1.9
179.14304	7.1
180.06520	2.4
181.06834	3.4
185.13208	3.1
187.07544	36.7
187.09163	2.4
189.09102	15.8
189.12788	1.9
190.07854	3.7
191.08563	5.1
191.14320	2.5
195.08513	3.0
195.13774	1.4
196.05168	1.8
199.07582	4.2
201.12822	2.5
202.07863	4.1
203.08574	10.2
205.06471	4.4
207.13802	4.6
209.15402	4.5
211.07619	3.4
217.06544	2.8
217.08580	19.3
218.07277	2.9
219.08102	8.5
219.13805	2.8
220.08861	4.7
221.09607	2.1
223.16833	1.6
225.14868	5.0
227.07094	5.9
231.08081	9.5
232.08838	3.9
234.06668	1.7
235.07637	2.7
236.08453	2.0
237.09148	2.7
237.14957	7.5
238.06323	1.7
239.07042	2.7
240.07753	4.1
247.07518	7.8
248.08366	12.9
249.09119	5.3
251.10660	10.7
251.16451	4.8
253.08620	2.9
254.10379	1.4
255.06500	3.8
255.10687	2.3
259.07504	4.6
259.16885	2.9
260.08273	2.7
261.09140	2.6
263.07022	1.9
263.10669	9.8
263.16391	4.4
264.07877	3.4
265.08560	4.0
269.15448	2.4
270.08902	8.6
271.09668	11.2
275.16412	1.8
276.07932	4.2
277.08572	5.2
277.17996	3.0
279.10095	13.5
280.10986	2.1
281.08109	3.3
281.11713	5.1
283.09750	3.7
287.16379	7.8
291.10123	28.4
293.08173	5.4
293.17358	2.5
295.09439	2.0
296.10458	6.5
297.10913	2.9
305.17480	21.1
308.10422	3.8
309.11176	5.9
311.12753	14.7
323.09421	1.5
323.12775	25.5
323.18521	42.5
341.10202	4.3
341.14056	48.8
341.19107	7.6
341.28250	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.3
55.05507	24.6
56.96568	17.1
57.03446	9.1
61.02919	4.1
67.05508	35.7
69.03434	40.4
69.07068	18.4
71.04995	17.2
79.05505	29.1
81.03442	35.9
81.07066	66.0
83.04992	16.8
83.08637	14.2
85.02908	12.1
85.06561	7.5
91.05492	38.6
93.07053	51.0
94.04207	3.9
95.04982	16.2
95.08617	51.9
97.02920	15.7
97.06514	14.8
97.10216	8.3
99.04467	7.8
99.08136	5.1
105.07050	31.4
107.04961	7.7
107.08578	27.1
109.02864	7.2
109.06552	11.5
109.10186	12.4
111.08098	8.9
115.05435	4.5
117.07043	11.6
119.08604	31.5
121.06531	13.7
121.10150	18.7
123.04452	5.7
123.08115	11.0
123.11680	6.0
125.05983	4.3
125.09628	4.0
127.03944	20.9
129.07051	12.4
131.04971	5.4
131.08585	15.6
133.06502	8.9
133.10161	22.5
135.08070	5.1
135.11720	11.5
137.05991	100.0
137.09627	6.5
143.08609	4.5
145.10104	6.9
147.08090	3.6
147.11719	8.6
149.06004	7.8
149.09615	7.0
149.13290	8.0
151.03952	4.3
151.07588	25.2
151.08630	5.3
155.91583	4.2
157.06529	9.1
159.08073	5.5
159.11742	6.2
159.39998	4.1
161.05995	13.4
161.13261	25.4
165.05562	5.1
171.08031	4.5
172.05280	3.9
173.13297	9.4
174.06792	6.5
175.07550	12.0
177.12805	5.4
179.14351	11.0
187.07574	40.0
189.09138	19.4
189.12766	4.8
199.07510	6.6
202.07898	5.8
203.08614	11.3
211.07513	7.1
213.07977	7.8
217.08589	18.7
219.08099	6.8
220.08842	5.0
225.14813	7.6
231.08174	14.2
237.14880	13.7
239.07147	6.7
241.15851	4.7
247.07597	9.4
248.08336	17.1
249.09338	4.6
251.10539	5.0
251.16492	6.4
255.06540	5.5
259.07535	5.7
263.10699	13.6
263.16525	6.8
269.10538	30.7
269.14774	4.4
270.08914	14.7
271.09650	17.7
276.07782	7.9
277.08722	4.2
279.10190	15.2
280.11023	5.1
281.08340	3.8
281.11618	5.7
281.14365	10.4
287.11646	10.4
287.16412	13.5
291.10156	37.5
295.09268	5.4
296.10455	7.4
305.17398	24.0
308.10519	6.1
309.11377	5.8
311.12756	16.4
323.12738	36.7
323.18518	58.6
323.22162	4.8
341.06241	5.0
341.10175	8.5
341.13992	21.3
341.19870	14.7
341.28564	24.0
351.94131	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2326
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03955	6.2
55.01862	9.8
55.05515	26.1
57.03422	14.0
57.07069	13.4
59.04986	4.1
61.02917	5.9
62.95576	3.7
65.03876	3.3
66.14960	3.2
67.05177	3.4
67.05508	43.5
69.03434	25.5
69.06725	5.0
69.07071	85.8
71.01342	14.3
71.04986	13.2
71.57885	4.7
73.02903	11.7
79.05502	25.2
81.03422	18.8
81.07062	85.7
83.04979	14.6
83.08629	32.1
85.02899	26.2
85.06538	15.0
91.05480	30.6
93.07052	51.5
95.04980	22.7
95.08608	100.0
97.02893	34.8
97.06535	8.1
97.10162	20.3
99.04445	9.7
99.08083	13.4
100.53314	3.5
103.03950	8.6
103.05463	7.9
105.07025	34.5
107.04965	7.6
107.08610	44.0
109.06535	9.5
109.10159	79.2
111.04436	19.6
111.08083	13.6
111.11721	4.9
113.06026	4.8
115.03915	10.8
117.07024	8.2
119.08587	31.3
121.06511	42.6
121.10149	39.7
123.04474	4.4
123.08072	11.6
123.11712	55.4
125.06015	7.6
125.09625	7.7
125.13289	10.6
127.03925	4.0
129.05473	14.2
129.07011	9.4
131.08562	16.0
133.04964	10.4
133.06476	4.8
133.10136	28.3
135.08012	10.2
135.11684	23.2
137.05988	34.3
137.09608	9.2
137.13240	7.8
139.03902	22.2
139.07500	10.1
139.11205	5.4
141.06963	5.2
143.06963	4.2
143.08578	12.0
144.04413	6.4
145.10127	25.1
147.08025	5.5
147.11659	19.5
149.09610	6.3
149.13252	18.6
151.07523	9.9
151.11203	6.5
157.10138	11.0
159.06590	3.9
159.08060	4.2
159.11713	20.5
161.05942	5.0
161.09723	4.6
161.13232	22.6
163.11150	4.9
163.14803	15.4
165.16428	4.7
169.10120	5.8
170.10902	4.0
171.11729	9.6
173.13272	10.3
174.06819	4.7
175.07545	4.2
175.14847	20.0
176.07030	7.8
177.16382	50.8
178.08632	7.8
179.14342	4.2
179.17982	16.6
185.13292	8.7
187.07545	12.3
187.14838	10.7
189.16377	19.9
189.29219	3.8
191.17946	11.8
199.09662	11.9
199.14798	4.5
201.16418	19.7
203.18005	17.0
204.06639	4.9
205.12216	3.9
207.17502	3.6
211.14835	9.7
213.16408	5.3
215.18031	10.3
217.08754	7.4
217.10646	5.2
217.15839	4.0
219.17432	5.0
222.07695	6.3
227.07021	3.9
227.12683	7.8
227.17961	4.5
228.76897	3.8
231.07985	5.0
231.17542	5.4
233.18961	12.3
241.19901	3.7
245.19049	8.8
251.20097	14.4
261.18549	9.5
263.10629	7.6
263.20050	8.8
269.19040	8.7
271.09604	8.0
287.19977	17.2
291.10184	13.3
305.21118	44.7
308.10803	3.6
311.12665	4.0
323.12640	12.8
323.22177	55.5
341.13766	11.1
341.23431	38.5
342.13388	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	341.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
54.13304	2.5
54.19434	2.3
55.05508	51.9
55.60117	2.4
57.07075	50.1
67.05510	19.2
69.07069	100.0
69.26544	18.4
69.26945	5.1
71.08635	41.6
73.06544	3.2
78.53312	2.3
79.05500	6.5
81.07057	44.7
83.05013	3.8
83.08620	72.9
85.06544	10.7
85.10179	19.2
91.05486	8.3
93.07056	19.2
93.25044	2.4
95.08602	46.9
97.06540	11.1
97.10173	52.6
99.11720	3.0
105.07035	13.3
107.08592	21.6
109.06578	4.2
109.10152	28.6
111.08074	9.2
111.11720	31.2
115.07571	11.0
119.08562	15.6
121.10133	20.2
123.08030	4.2
123.11695	16.1
125.09648	6.8
125.13264	15.6
127.07534	3.5
129.09120	4.7
131.08562	2.5
133.02812	2.5
133.10152	16.6
135.11728	13.3
135.12633	2.7
137.06006	6.7
137.09633	5.1
137.13246	6.9
139.11229	4.2
139.14793	6.2
141.09123	5.9
143.10631	3.3
147.11697	18.3
149.13235	8.6
151.11168	8.0
151.14799	3.5
153.12741	3.9
155.10686	6.0
157.12244	3.0
158.08165	2.4
161.13297	14.1
163.14778	7.4
165.12791	15.3
167.14354	3.0
169.12195	3.2
171.13847	3.5
175.14792	8.5
177.16359	4.1
179.14301	15.8
181.15912	3.8
183.13797	4.9
185.15457	3.6
187.07570	2.9
189.16451	2.6
191.17990	5.2
191.26613	2.5
193.15903	11.0
195.17532	2.9
196.87572	2.6
197.15385	5.8
203.17924	4.5
205.19421	4.4
207.17509	5.4
209.19200	3.2
217.19617	3.5
221.18898	2.9
231.21117	3.7
237.14954	2.6
241.21790	3.3
249.22153	4.3
263.27359	6.8
270.08820	2.3
287.27350	11.0
291.10077	3.6
305.28244	15.2
323.29401	3.3
341.17270	6.3
341.26639	40.4
341.30460	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	342.1337
Annotation	(-)-Isocaryachine N-oxide
Peak:m/z	Relative Intensity
53.03957	3.2
56.96559	0.5
56.99015	0.5
63.00532	0.6
65.03934	1.5
71.30865	0.8
77.03918	0.9
79.05496	0.8
81.07063	0.7
86.09729	1.0
91.05485	14.7
92.05031	2.0
93.07048	22.0
95.04948	3.3
96.75582	0.6
103.05472	16.4
105.04520	2.0
110.83813	0.5
116.04977	3.0
117.05784	1.7
118.06541	5.4
120.04481	1.4
121.06509	100.0
122.06818	0.7
133.35442	0.5
134.06006	1.1
144.04451	21.4
146.06010	16.7
162.05534	4.5
172.03947	6.7
176.07076	29.2
178.08644	35.3
190.05008	4.2
204.06561	36.6
222.07623	35.9
341.65445	1.3
342.13373	66.2
343.13852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1339
Annotation	(-)-Isocaryachine N-oxide
Peak:m/z	Relative Intensity
53.03947	2.6
55.73309	0.3
65.03950	0.3
67.05498	0.4
69.07058	0.5
70.48402	0.6
77.03931	0.8
77.79980	0.3
79.05499	0.4
86.09715	4.7
91.04902	0.3
91.05486	12.3
93.07050	17.2
95.04967	2.7
103.04786	0.6
103.05472	11.5
105.04524	0.9
105.07042	0.5
109.06535	0.4
118.06551	0.5
121.06512	100.0
122.06847	0.9
128.10713	1.8
132.10208	1.3
133.10141	0.8
144.04466	0.6
146.06007	3.3
151.11201	2.2
156.10201	0.7
162.05553	0.8
169.12253	1.1
172.03712	0.3
176.07066	1.9
178.08638	11.1
190.05020	0.7
204.06596	1.3
222.07623	8.7
250.69562	0.3
264.55139	0.2
278.21103	0.3
296.22171	0.8
298.14319	2.4
310.10657	0.5
324.12344	1.8
324.21698	0.5
342.13385	49.4
343.13718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.2
56.96554	0.6
57.03415	0.3
61.02914	0.5
69.03418	1.4
70.06580	0.4
70.12678	0.3
70.13068	0.6
71.04971	0.7
71.06120	0.3
73.02898	0.4
81.03414	0.6
83.04980	0.2
85.02908	3.3
87.04475	0.3
91.03937	0.3
97.02907	1.8
98.97585	2.5
99.04460	0.2
103.05452	0.5
109.02858	0.6
110.03532	4.4
110.97564	1.0
116.98609	0.7
123.04436	0.2
127.03921	0.8
128.04547	0.5
128.98615	1.0
131.04932	1.0
135.02997	1.4
137.06015	0.9
137.08241	1.8
138.06329	0.4
143.00180	0.3
145.04948	0.3
153.04095	1.4
158.99658	0.3
162.07748	0.7
163.03958	0.9
165.06522	0.5
170.99710	0.3
173.01262	0.2
173.53668	0.2
180.08807	100.0
181.09106	0.5
182.03357	0.2
187.04443	0.4
188.07903	0.2
199.99850	0.3
201.00566	0.3
219.01685	1.5
220.02357	0.2
237.02818	2.0
238.03348	0.2
239.04471	0.2
251.06781	0.8
252.05760	0.6
255.03984	0.2
261.06329	0.5
292.10532	0.4
324.10596	0.2
341.05527	0.3
342.11212	2.0
343.10422	0.2
355.06921	0.3
359.06522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93080	2.4
61.76977	3.5
61.94078	2.8
69.03442	3.4
69.57819	15.3
71.04994	4.1
79.05510	5.7
79.84630	2.6
81.07068	3.5
89.24628	2.4
91.05476	6.7
94.04160	3.4
95.88278	2.8
98.20779	5.4
101.01833	3.3
103.05470	3.4
105.07058	3.1
107.08560	3.3
109.06548	2.9
115.05440	3.2
121.06524	5.8
122.03642	9.7
123.03934	3.3
124.04311	2.5
129.06995	4.7
130.07350	5.4
131.04839	2.8
133.02852	10.5
135.08035	7.1
137.05983	100.0
138.06316	64.2
144.05716	4.0
149.05978	3.1
151.07619	6.6
158.06926	3.9
161.05728	5.2
165.05455	4.2
173.05692	3.1
175.07568	13.5
176.07870	19.2
177.05505	6.1
178.05856	8.3
187.07458	16.6
188.07893	28.5
189.09036	7.5
190.09424	7.8
192.08992	5.2
197.05669	3.8
198.06314	3.5
199.07608	3.7
203.08409	4.9
204.08948	14.8
206.06989	4.4
211.07445	6.5
212.07831	14.0
213.05069	3.7
217.08534	4.3
218.09041	13.0
219.07878	3.7
220.08376	15.3
221.09259	6.8
222.10060	4.1
227.06937	6.4
228.07527	16.2
229.08226	2.7
232.08482	17.0
234.06248	4.4
238.09450	3.4
240.07516	8.2
241.08179	13.9
248.08134	8.4
249.08655	21.8
250.09415	5.2
252.11070	6.1
254.08932	5.2
255.06732	3.5
256.06879	15.8
257.07568	7.0
260.07938	8.0
262.09357	4.3
263.10416	6.2
264.11008	20.5
265.08530	3.8
266.08957	5.2
269.07666	4.3
270.08813	9.7
271.09323	43.8
272.10007	43.2
277.08215	12.1
278.08798	7.5
280.07330	3.1
280.10498	12.2
282.08585	4.1
282.12061	6.4
284.09988	11.8
291.10144	5.1
292.10495	63.4
293.11163	6.4
294.08377	5.0
297.10831	8.4
309.10855	7.6
310.11523	4.2
312.13150	26.8
314.14624	4.7
324.13156	61.6
342.14221	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94925	1.3
55.01865	3.0
57.03429	4.3
60.04524	1.7
61.02923	5.8
69.03439	10.3
69.78232	1.3
71.01347	1.8
71.55714	2.7
73.02931	3.0
81.03421	4.2
85.02910	43.7
86.06080	1.6
87.04488	2.4
91.03964	2.9
91.05499	7.3
93.07044	3.1
97.02902	14.3
99.04455	3.4
101.02396	1.9
103.03909	1.6
103.05477	2.9
107.04965	5.9
109.02886	4.1
110.19747	1.5
115.05437	1.8
117.07028	1.9
119.04933	4.5
121.06525	15.1
123.04418	1.6
127.03944	11.9
136.06200	40.9
136.07440	1.9
136.07642	1.8
137.05945	24.5
138.06306	11.9
139.03923	2.2
145.04959	20.6
145.06490	5.7
147.04402	2.4
151.03922	2.3
153.05444	2.3
157.06570	1.8
159.07954	1.5
162.07784	2.8
162.09151	25.8
163.03952	2.5
163.06052	5.0
163.07564	10.5
165.05482	8.1
174.06760	1.9
175.07314	4.0
179.03419	4.7
180.03819	8.7
180.10210	100.0
181.10445	1.6
183.06584	2.4
187.07587	10.3
188.07899	5.9
189.09122	2.6
190.09450	2.9
203.08412	1.6
204.08745	7.7
208.09647	2.1
217.08595	2.6
218.09012	3.8
220.08386	2.9
223.12065	1.9
232.08418	4.1
248.08180	1.9
249.08670	3.5
250.10733	3.3
252.11043	2.8
255.96457	1.5
260.07755	3.3
264.11035	5.1
271.09363	2.4
277.08304	2.7
280.10693	3.8
292.10538	10.8
294.08603	1.9
310.12738	2.8
312.13217	4.3
324.13116	14.4
342.08572	1.6
342.15482	30.8
343.13696	4.0
356.79419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.2
54.94406	1.2
55.01865	2.3
55.05496	4.2
56.05038	68.7
57.03416	1.3
61.01151	32.9
63.68750	1.0
67.05509	7.9
69.03413	1.4
69.07056	3.2
70.82792	3.2
74.02406	1.6
74.06070	2.4
79.05500	10.0
81.07056	16.7
83.04985	12.4
85.02883	1.6
87.02689	7.0
91.04965	1.9
91.05486	24.2
93.06480	1.8
93.07048	29.6
95.04985	7.9
95.08578	4.7
97.06532	1.7
98.06055	6.4
102.05546	9.9
103.05467	1.3
104.05333	97.5
105.07031	37.6
105.07666	1.2
106.37779	1.1
107.04946	2.8
107.08612	9.0
107.53695	1.0
109.06522	21.6
109.10133	3.4
111.08086	12.3
117.07028	2.2
119.04953	1.4
119.08570	10.7
121.06520	9.9
121.10130	2.8
123.08054	3.2
129.06982	3.5
131.08582	12.3
133.03204	46.7
133.04214	2.5
133.06497	3.4
133.10135	44.4
135.08060	1.7
137.05965	4.0
144.06544	10.4
145.10033	1.1
146.06320	1.9
147.08012	3.4
147.11693	26.5
149.09570	3.5
150.05849	100.0
151.07568	10.9
151.11191	80.9
157.10077	2.1
165.12807	6.0
174.05753	2.2
175.11198	25.4
180.06454	1.9
193.12245	40.2
207.15239	1.1
214.58134	1.3
222.07495	2.9
230.15399	7.2
248.16463	29.8
276.15961	7.5
278.15808	3.1
294.17017	32.6
296.16815	21.3
324.16263	7.3
326.48199	1.3
342.13327	5.3
342.17297	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02930	0.9
55.01875	10.8
55.05512	9.0
67.05499	3.6
71.56170	2.0
72.08160	100.0
79.05490	5.0
81.07050	3.6
85.02894	2.9
91.05487	35.4
93.07046	4.4
95.04962	0.9
103.05457	1.0
105.07042	22.8
107.04939	1.9
110.33579	1.0
116.01683	1.9
117.07037	5.5
118.08667	38.0
119.08588	46.1
121.06505	3.8
128.06212	4.1
129.07007	9.7
131.08556	2.4
133.06506	7.2
133.10146	20.3
135.60368	1.0
137.05977	4.3
138.06383	2.5
142.03233	2.9
143.08578	11.4
145.04921	1.2
145.06496	3.3
145.10112	2.7
147.08060	39.5
161.09628	73.7
161.42221	1.0
162.02174	1.7
162.10034	1.5
163.03893	1.9
165.09145	2.9
171.08070	3.0
179.10646	3.7
188.07857	2.2
189.09117	63.0
190.09407	1.3
207.10233	2.4
222.07623	1.9
242.15488	1.4
245.53709	1.3
260.16476	28.2
278.17532	35.9
288.15994	2.5
292.10577	2.2
296.18567	1.3
306.17026	16.7
324.13544	2.5
324.18082	39.8
342.13501	2.1
342.17130	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.05515	6.0
57.03442	1.0
57.07083	12.9
61.02907	1.6
64.83884	0.8
69.03428	3.8
70.06581	1.5
71.13478	1.5
72.08143	1.7
79.05486	1.2
81.03430	1.6
83.08612	3.1
85.02904	15.9
86.09743	0.9
87.04482	1.7
89.06036	27.0
93.07036	3.5
94.07413	0.9
97.02896	3.5
98.20934	1.0
99.04442	1.1
101.09664	14.3
107.07072	35.4
107.12540	0.9
109.02921	1.0
121.06519	2.5
121.10152	2.1
122.10520	1.4
127.03898	2.5
137.06058	2.1
145.04980	3.3
150.09923	1.1
162.05641	1.0
163.13300	100.0
192.46179	0.9
194.08124	1.0
236.09265	0.8
238.10738	2.4
283.53149	1.0
290.08557	1.0
319.01266	1.0
342.11588	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02601	0.4
53.03946	1.0
55.05506	1.2
58.51179	0.4
67.05511	2.3
69.07072	10.9
70.06621	0.5
70.07370	0.5
71.04988	1.7
71.56264	0.6
72.08135	0.4
74.61626	0.5
79.05495	3.1
81.07066	5.3
82.06609	0.5
83.04993	1.8
83.40937	0.5
84.08102	0.4
85.06557	1.0
86.09711	100.0
91.05486	8.9
93.07047	11.1
95.04967	2.5
95.08617	0.7
103.05499	2.9
105.07034	9.9
106.07327	0.4
107.04970	0.4
107.08591	2.9
109.06532	5.6
109.10145	0.7
111.08086	1.1
114.10268	0.5
115.05451	0.5
119.08604	2.4
121.06518	22.1
121.10146	1.2
123.08100	0.9
123.11747	0.7
127.07589	0.5
128.10727	8.4
131.08577	2.0
132.10213	27.8
133.06488	1.2
133.10136	14.9
135.08087	0.7
137.05989	4.4
138.06352	2.7
145.10121	0.6
146.06079	0.8
147.08080	1.2
147.11697	5.4
149.09650	1.1
149.13329	0.5
150.05469	0.4
151.09950	1.0
151.11191	20.9
155.07082	1.5
156.06593	1.5
156.10205	4.7
157.10120	0.6
161.45996	0.4
162.06328	0.5
165.12791	0.8
166.75883	0.5
169.12242	6.2
174.11308	0.8
175.07634	0.7
175.11244	3.6
175.63878	0.4
178.08601	2.3
188.07941	0.5
191.08382	0.4
192.13954	0.4
193.12268	4.8
196.13426	0.4
199.49947	0.4
210.14824	0.8
220.08464	0.5
222.07622	3.1
252.11026	1.0
260.20145	1.0
262.76343	0.6
278.21161	7.0
280.10522	0.6
292.10614	0.6
296.22229	33.8
297.22604	0.9
306.20834	1.7
312.13177	1.2
324.21695	20.7
325.22104	0.5
342.13385	11.3
342.22791	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	342.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01860	0.6
55.05517	0.8
56.05007	0.5
56.91562	0.4
67.05498	2.7
69.07071	9.9
69.76022	0.4
71.04989	1.5
71.57621	0.6
77.03978	0.7
78.26985	0.4
79.05499	3.6
81.07070	5.9
81.63745	0.4
82.06583	0.7
83.04988	1.9
85.06529	1.1
86.09711	100.0
87.10059	0.7
91.05027	0.3
91.05486	10.7
93.07049	11.5
95.04984	3.1
95.08598	1.4
103.05489	2.6
103.59556	0.5
105.07035	9.6
107.08609	2.4
109.06527	6.5
109.10140	0.8
110.79418	0.4
111.08086	1.1
114.10217	0.5
119.08607	2.7
121.06515	20.3
121.10152	1.1
122.76405	0.5
123.11719	1.1
125.05972	0.5
126.70239	0.5
128.10719	9.1
129.07022	0.6
131.08575	2.4
132.10214	29.2
133.06503	1.4
133.10127	13.9
135.08047	0.7
137.05988	4.8
138.06339	3.2
145.10136	0.5
146.06000	0.7
147.08051	1.6
147.11696	4.7
149.09590	0.8
149.88925	0.4
151.07599	0.6
151.11192	19.9
155.07072	1.0
156.06577	2.3
156.10222	4.1
161.05904	0.5
165.12823	1.0
169.12256	6.6
174.11354	0.6
175.07599	0.8
175.11186	3.5
176.07961	1.2
178.08655	2.3
187.07544	0.5
188.08032	0.5
192.08989	0.6
193.12276	5.4
204.06642	0.5
210.14925	1.0
220.08318	0.7
222.07736	2.2
252.11188	1.0
260.20215	1.3
278.21198	8.4
280.10596	1.3
292.10513	0.6
295.00439	0.5
296.22229	29.9
306.20779	1.7
312.13159	0.9
324.12869	0.9
324.21707	21.0
342.13367	10.7
342.22806	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	342.2427
Annotation	Malouetamide
Peak:m/z	Relative Intensity
56.96563	0.2
57.78458	0.2
67.05515	0.2
69.07066	0.4
71.33554	0.2
71.59064	0.2
75.02605	0.2
81.03431	0.3
81.07061	0.4
91.05478	0.3
93.07034	0.4
95.08616	0.4
97.02879	0.2
103.05507	0.3
107.04971	0.2
107.08598	0.2
109.10154	0.2
119.08585	0.2
121.06507	1.3
124.74774	0.2
129.07120	0.2
129.23390	0.2
131.08589	0.2
133.10072	0.2
137.05966	1.1
138.06358	0.6
169.08864	0.8
171.06856	0.2
175.07330	0.2
183.10449	0.3
187.07555	0.3
188.07784	0.3
197.11983	0.4
198.12346	0.2
200.10741	0.2
201.11493	0.3
214.08649	1.0
214.90080	0.2
222.51846	0.2
226.12251	0.5
228.13910	0.2
234.55583	0.2
242.11751	3.1
244.13246	0.4
249.08669	0.3
257.14182	0.3
258.14935	1.5
268.16934	0.6
270.14926	5.0
270.18124	0.3
271.09497	0.3
271.15652	1.5
272.09998	0.3
275.11716	0.3
280.10205	0.2
282.18439	0.4
283.19287	0.3
284.16650	0.5
286.17838	0.2
292.10474	0.4
298.21658	2.7
312.12961	0.3
312.19620	0.6
314.21085	0.7
316.59885	0.2
324.09494	0.2
324.13156	0.3
326.21225	1.5
327.21878	0.6
342.24289	100.0
343.24640	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.8
55.01865	7.7
55.05513	46.1
67.05506	93.6
69.03424	8.4
69.07072	55.4
69.38506	5.1
70.44540	4.8
71.04982	14.0
71.57890	9.2
71.86886	4.9
79.05496	81.0
81.03413	11.3
81.07068	73.7
83.04962	8.4
83.08606	23.9
85.06522	6.9
91.05487	73.6
93.07050	100.0
95.04969	20.5
95.08607	57.9
97.06512	19.0
97.10166	16.6
105.07035	56.7
107.04948	9.0
107.08598	73.8
109.06545	13.4
109.10167	41.4
117.06996	19.1
119.08603	47.7
121.06492	23.6
121.10136	35.4
123.08017	7.0
123.11707	10.5
125.09635	19.6
129.06952	5.6
131.08559	24.9
133.10133	42.6
135.08076	8.6
135.11682	24.0
137.05945	6.5
137.09612	17.3
145.10143	22.1
145.37041	5.3
147.11688	21.3
149.09592	15.0
149.13260	15.4
153.09175	7.8
153.12682	6.1
157.10143	7.3
159.11690	12.3
161.13229	8.1
163.11157	10.7
171.11681	10.4
173.11751	21.1
173.13213	9.1
175.14804	7.1
181.12180	8.0
195.13870	11.7
203.12782	19.8
235.16969	8.3
257.18994	13.0
275.20114	47.6
289.21585	18.8
307.22495	7.5
342.13577	6.7
342.24561	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.0
55.01871	8.7
55.05516	37.0
57.03428	7.5
59.90424	4.4
65.03923	5.8
67.05508	84.1
69.07071	58.7
69.98251	4.8
70.26569	18.5
71.04992	6.9
79.05499	58.4
81.03423	7.8
81.07063	100.0
83.04987	16.0
83.08636	18.7
84.04114	5.0
85.06541	11.0
91.05492	54.7
91.83561	4.4
93.07041	72.9
95.04962	25.5
95.08626	57.3
97.06561	23.4
97.10177	13.5
98.97578	5.4
99.08083	7.2
105.07050	61.1
107.04990	8.6
107.08584	37.6
109.06537	11.8
109.10200	25.9
111.08063	10.9
117.07046	34.4
119.08599	46.6
121.06492	11.7
121.10174	32.6
123.08083	13.5
123.11724	9.2
129.07014	13.3
131.08563	33.5
133.10132	41.7
135.11710	33.6
137.09618	12.2
143.08563	6.4
145.10150	20.7
147.11679	38.8
149.09676	14.2
149.13272	13.4
151.11185	7.5
158.53467	4.3
159.11740	29.2
161.13274	11.3
163.11224	17.3
169.10112	5.2
173.13293	19.1
177.12775	11.8
178.08807	4.6
181.12276	15.7
185.13190	7.1
187.11240	6.3
190.36211	4.6
195.13835	13.2
201.12646	4.9
207.13852	6.5
213.14868	9.3
222.07616	7.1
239.17993	7.6
247.20461	6.2
257.18994	9.0
263.20313	5.7
275.20047	69.6
275.22815	8.4
289.21661	15.4
342.13269	5.4
342.21246	6.1
342.37399	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.4
55.05510	41.7
56.96552	3.6
57.07066	3.0
59.04972	3.3
60.04499	3.3
67.05504	20.2
69.03423	7.5
69.05624	3.1
69.07080	21.9
71.57109	3.5
79.05506	31.7
79.61005	3.3
81.07051	26.3
83.04978	3.7
83.08627	31.9
86.09744	3.5
91.05477	13.6
92.43298	3.1
93.07043	24.4
95.08586	13.4
97.06529	5.5
97.10176	70.6
98.97617	6.3
103.05476	3.4
105.07032	18.1
107.08603	84.2
117.07001	7.3
119.08556	7.9
121.06480	12.6
121.10136	4.1
125.09633	76.5
131.08554	5.5
131.92221	3.4
133.10118	9.2
135.08070	18.7
135.11681	13.2
136.93147	7.1
137.05954	5.2
145.10117	11.5
146.05923	3.3
146.56177	3.3
149.09615	6.5
153.09103	12.1
154.94226	6.3
157.10185	3.3
157.12314	8.6
159.11691	5.2
163.11214	3.3
171.10204	3.2
172.95201	9.5
178.08611	4.9
190.96420	4.1
198.96921	3.1
203.12801	100.0
214.96286	4.0
222.07640	7.6
239.17990	4.1
257.18979	12.1
275.20093	39.1
287.80048	3.5
289.21671	19.9
296.33963	3.2
301.00079	3.7
306.62091	4.9
307.22629	11.9
318.36484	3.3
319.00967	11.2
342.13223	10.2
342.30042	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	342.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18407	0.3
55.05506	0.8
57.07080	5.5
67.05513	1.7
69.03436	2.6
69.07074	1.3
70.87643	0.8
71.08632	3.5
78.71462	0.4
81.07058	2.3
83.08634	1.2
85.10187	1.6
85.13788	0.3
85.78748	0.3
86.06073	100.0
87.04474	11.6
93.07044	0.6
95.08611	3.3
95.93005	0.3
97.10175	0.6
104.07115	17.2
106.09640	0.4
107.08591	0.5
109.10151	1.2
119.08615	0.4
121.06506	0.7
121.10219	0.5
122.10480	0.4
123.11719	0.6
127.26318	0.3
131.02850	0.3
176.07188	0.4
178.73463	0.5
194.46497	0.4
239.23718	1.0
283.26218	0.5
342.13300	0.9
342.30124	5.5
342.37347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81596	0.3
55.05520	2.1
57.07080	19.2
58.06586	0.7
60.08146	1.3
61.87820	0.3
62.06089	1.6
67.05503	2.2
69.07074	2.8
69.91581	0.9
69.91972	0.5
71.08639	9.0
72.08136	0.9
73.02634	0.2
73.02934	2.2
77.67383	0.3
78.30549	0.3
81.07056	3.5
83.08616	2.9
85.10185	4.2
86.09721	0.3
87.04468	0.6
87.51368	0.3
91.05466	0.6
93.07015	1.0
95.08610	4.1
96.08923	0.5
97.10172	1.7
98.21452	0.4
98.97560	0.3
105.07076	0.3
109.10158	1.3
112.30721	0.4
123.11707	0.8
125.09667	0.3
137.05984	0.6
147.04387	0.9
156.17427	1.1
164.98151	0.3
174.18559	3.6
197.95897	0.3
212.23767	0.7
215.98994	0.3
230.24806	2.4
283.26331	100.0
284.26608	1.1
324.36420	0.6
340.02689	0.4
342.33630	55.3
342.37372	56.1
343.33908	0.7
343.37677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
56.54147	0.3
57.07080	7.1
58.06599	1.2
62.06093	2.3
67.05499	0.3
69.07072	0.3
69.44207	1.8
71.08637	3.9
72.08165	1.2
81.07040	0.6
85.10174	0.7
95.08582	0.9
107.08594	0.5
109.10118	0.3
119.08582	0.5
121.10144	0.4
123.11749	0.3
133.10114	0.4
137.06000	0.4
147.04402	1.2
156.17529	1.7
174.18553	5.0
202.21640	0.5
212.23714	1.2
228.23196	0.2
230.24773	4.5
231.47343	0.2
236.24706	0.2
252.23485	0.3
292.10272	0.3
298.34619	0.3
324.36200	1.0
342.37308	100.0
343.37598	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.3
69.43832	1.5
69.44227	4.7
71.82311	0.7
98.21537	1.3
98.97588	14.3
99.97882	1.0
116.98631	5.7
119.01923	1.0
128.96173	0.9
134.99651	1.3
147.31625	0.8
177.00960	4.3
197.48328	1.0
198.97881	1.7
201.00992	1.6
216.98816	8.4
217.98975	0.9
218.98576	2.4
219.02013	7.1
220.02139	2.1
222.97882	1.4
234.96458	1.7
234.99966	8.4
235.99980	1.5
236.99516	2.4
240.98950	14.0
253.01198	1.4
258.96722	2.2
259.00003	37.4
259.99991	4.4
261.00327	1.2
261.03082	6.9
264.99054	3.1
273.98840	1.5
276.97589	3.0
277.01047	15.5
278.01016	3.7
278.96689	1.1
279.00616	1.8
283.00006	100.0
284.00183	5.3
291.70273	0.8
300.97684	7.3
301.01041	89.7
302.01157	7.0
318.98624	9.1
319.02118	3.1
319.98175	1.1
324.02628	2.2
325.01065	19.5
326.01440	1.2
342.98779	4.2
343.02130	76.8
343.98611	1.0
344.02347	2.0
360.99075	4.8
361.03433	11.9
366.03653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1025
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.03943	2.9
67.05517	2.0
69.03423	2.3
69.32365	9.3
69.32765	2.5
70.06570	1.1
79.05491	5.4
81.03423	3.2
81.07048	4.3
85.02898	3.6
86.57123	1.3
89.03918	5.3
90.94551	1.5
91.05503	4.7
93.07067	2.6
95.04975	2.3
97.02906	1.6
98.21573	2.3
103.05498	3.7
105.07030	2.5
107.04961	6.4
107.08602	8.7
109.02898	2.6
109.06524	2.0
109.10213	2.3
111.04455	1.7
111.08086	3.0
115.05415	1.5
116.01747	2.0
117.03359	9.1
117.07009	1.5
119.04955	2.4
121.02894	1.8
121.06519	4.9
123.04422	2.0
125.05983	2.1
129.07037	2.1
131.05006	2.0
132.91495	1.5
133.02864	18.3
135.04419	22.3
135.08073	15.1
137.02373	2.6
137.05988	22.4
139.03880	2.9
142.03191	2.7
145.02846	13.7
145.06541	1.7
149.05971	7.4
150.06778	3.9
151.07590	1.5
153.05565	6.4
153.09135	2.7
157.06522	4.3
161.05991	2.6
162.02194	2.3
163.03915	100.0
163.07532	12.1
164.04240	1.7
165.05501	3.8
165.06982	2.2
167.07024	4.8
173.06001	2.6
175.07597	2.5
177.05501	2.6
177.07050	1.6
181.04987	5.5
181.06458	1.5
181.08563	6.8
189.05475	1.7
189.09132	3.7
194.07227	1.6
195.08122	2.0
201.05550	4.8
203.10690	1.5
211.07683	1.9
219.06555	2.8
223.07596	3.4
225.56450	1.7
237.09106	2.9
239.07054	2.8
250.06281	3.1
252.07574	1.4
265.08606	5.8
267.06512	2.1
268.07333	3.1
281.08154	1.7
283.09644	4.3
293.08044	3.0
293.11002	1.4
297.07687	1.6
297.11029	1.6
300.10056	1.7
307.09293	4.3
311.09119	11.2
311.12296	2.2
312.09872	1.9
315.12204	2.5
325.10641	6.7
325.14038	3.0
343.08218	2.3
343.11722	14.7
343.15274	3.1
344.72369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
57.03429	3.3
61.02930	1.1
65.03947	1.0
67.05492	1.1
69.03421	3.5
70.06593	2.0
71.57127	1.5
73.02924	2.0
79.05489	2.7
79.66663	1.0
81.03416	1.5
81.07022	2.2
85.02908	14.1
89.03924	8.5
91.05475	2.8
93.07047	1.5
95.04964	2.5
97.02889	5.8
102.96854	2.8
107.04964	3.5
109.02872	1.1
109.06554	2.0
110.07156	2.0
111.04443	2.9
113.02375	2.0
114.96850	1.5
117.03387	8.8
119.04972	2.1
121.06532	1.7
122.03585	1.5
123.04460	6.3
125.06018	1.8
133.02856	1.7
135.04427	17.2
136.06157	2.8
137.05949	16.5
138.06276	1.2
139.03917	3.8
143.03378	4.0
145.02864	13.9
145.04976	1.3
147.04411	7.7
151.03896	6.3
151.04956	1.2
152.04648	1.2
153.05490	18.1
163.03914	100.0
165.05478	41.0
165.06892	2.0
167.07043	9.9
179.03423	5.3
180.03780	2.4
180.10129	2.2
181.05045	32.5
181.10518	2.9
183.06528	11.6
223.00827	1.3
232.28053	1.0
241.02058	1.5
289.42810	1.1
293.10837	1.8
343.06900	1.8
343.13440	21.4
361.07968	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	343.1025
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
50.37420	1.0
53.03965	1.2
55.01892	1.2
56.43314	0.9
57.03441	2.2
60.95840	1.6
68.84161	0.9
68.99803	1.1
69.03439	4.5
69.18167	2.6
69.18581	7.6
70.06593	2.1
70.11016	0.9
73.02921	2.7
79.05492	3.3
81.07046	1.8
81.63326	0.9
85.02910	13.3
86.09703	1.4
89.03925	7.2
91.05502	2.7
95.04971	1.6
97.02880	4.6
98.21275	4.9
102.96865	2.1
107.04958	2.4
108.28824	1.1
109.02901	1.2
109.06501	1.2
110.07153	1.9
111.04450	3.2
113.02399	2.8
114.96925	1.2
117.03396	9.9
119.04951	1.8
121.06505	3.4
123.04439	5.4
125.05985	2.4
127.03904	2.0
132.97881	1.2
133.02829	1.9
135.04420	18.3
136.06152	2.4
137.05943	13.8
139.03882	3.4
143.03415	2.0
145.02866	13.5
146.67592	0.9
147.04434	8.4
151.03883	4.9
152.04793	1.0
153.05461	14.2
163.03912	100.0
164.04272	1.4
165.05493	34.5
166.56531	0.9
167.07024	7.3
178.61571	1.0
179.03416	4.8
180.03773	2.8
180.10248	1.5
181.05020	35.2
181.10553	2.1
183.06508	8.8
191.10336	0.9
216.13028	0.9
223.01180	1.3
238.16331	0.9
238.56870	1.0
343.07028	2.5
343.13419	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	343.118
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01880	2.0
55.05507	2.9
56.96573	2.8
57.07066	2.1
60.56966	1.3
65.03946	1.8
67.05508	5.9
69.03439	2.0
69.07082	4.6
70.73260	2.5
71.04997	3.2
79.05490	5.3
81.03441	1.7
81.07056	8.5
85.02923	1.8
85.06553	1.9
91.05479	10.3
93.07064	7.6
95.04967	2.9
95.08623	10.4
97.02907	1.7
103.05477	4.9
103.59420	1.5
105.07047	4.6
107.04937	3.4
107.08598	7.2
109.02876	1.7
109.06506	1.6
109.10169	8.5
111.04431	2.4
115.05447	8.8
117.07009	2.8
119.04951	5.3
119.08585	4.5
121.06508	27.9
121.10151	5.0
122.03637	3.1
123.11720	2.9
123.17809	1.5
125.06049	2.1
131.04973	3.5
131.08578	2.4
133.02859	8.5
133.10129	3.9
134.03712	1.6
135.04428	5.0
135.08054	6.5
135.11700	3.8
137.05995	39.6
137.09604	1.8
137.13235	4.3
138.06313	2.2
142.26143	1.5
143.04915	5.0
145.06483	6.0
145.10107	1.9
147.04442	4.2
147.11684	1.9
149.05991	5.9
149.13322	1.8
150.06767	3.1
151.03925	5.9
151.07541	1.8
153.05501	2.5
158.03636	4.2
159.04477	3.5
159.11664	1.7
160.05249	2.6
163.03920	2.3
163.11255	2.1
165.02710	1.4
165.05524	3.1
165.06972	2.3
166.07816	2.2
173.06006	9.4
175.03955	2.7
175.07538	8.0
176.06274	3.8
177.05537	3.2
177.07025	9.5
178.07851	3.4
179.08511	2.5
181.06508	1.7
186.03131	9.3
187.03897	4.6
189.16461	1.7
191.18059	2.3
193.04944	2.7
193.06590	2.4
194.07268	12.7
195.08183	1.6
197.13286	1.4
201.05472	29.8
203.07036	2.7
204.05788	2.6
205.06506	31.7
206.07237	3.1
207.08081	2.2
209.06206	1.5
211.07455	3.6
219.06512	4.0
219.08257	3.3
221.06047	8.5
222.06763	25.2
223.07605	4.0
227.07140	2.3
229.36951	1.5
231.09245	1.6
233.05978	28.9
234.06749	7.6
235.07544	2.3
236.08305	1.7
237.09143	30.8
239.07118	6.1
241.08603	1.5
247.07541	4.8
249.05547	9.4
250.06253	28.9
251.07036	4.9
254.05688	1.6
261.05585	5.9
262.06152	1.9
262.71692	1.5
263.07236	1.6
264.07819	9.2
265.08630	54.5
265.11465	3.1
266.09293	5.9
267.06638	7.0
268.07278	2.7
277.05029	4.6
278.05762	13.6
279.06375	1.9
279.10172	5.2
281.08185	2.2
282.08969	5.3
283.09695	4.5
292.07306	21.6
293.08105	50.0
293.11374	3.2
294.08734	2.7
295.06042	3.6
297.06622	2.0
297.11188	18.7
307.09653	66.5
310.08469	11.7
311.09183	2.0
325.10727	100.0
325.28888	4.4
326.10806	2.1
343.11777	7.2
343.26501	1.7
343.30048	6.4
344.69302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1179
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
50.28267	0.7
51.02386	0.9
53.03950	4.2
55.01871	1.2
61.39595	0.7
63.22470	0.8
65.03949	1.5
67.05512	0.9
68.25153	0.7
69.03432	1.6
69.07050	0.9
69.20456	8.3
69.32040	0.7
70.65575	0.7
77.03927	2.6
78.04720	0.9
79.05496	2.8
81.03413	1.8
81.07069	2.2
83.04949	0.9
85.02897	1.9
89.03912	3.0
91.05488	15.2
93.07058	12.3
95.04984	4.7
97.02871	1.0
98.21455	1.6
100.11248	5.0
103.05479	9.0
105.03410	5.1
105.04519	2.0
105.07024	2.3
107.04974	3.2
107.08601	6.5
109.06484	1.9
109.10223	1.3
115.05487	1.9
117.03363	3.9
117.07011	1.5
119.04950	3.3
121.06517	100.0
122.03644	4.0
123.04473	1.0
125.05978	1.1
127.03886	1.5
131.04927	2.6
133.02864	87.0
134.03523	0.8
135.04454	8.3
135.08073	14.0
137.06000	24.7
143.04883	1.0
145.02866	3.0
145.06502	2.9
147.04413	3.4
149.02380	1.1
149.05998	14.1
150.06783	10.8
151.03958	1.4
151.07550	0.9
153.07132	0.9
153.09094	1.7
158.03700	1.8
161.06023	3.5
163.03926	2.5
163.07562	3.5
163.11246	3.1
165.05513	13.5
165.06909	1.8
167.03416	1.2
173.06053	5.5
175.03946	2.2
177.05508	5.6
177.06920	1.2
179.08730	0.8
181.08672	3.8
181.12202	1.1
186.03076	1.3
188.07857	1.0
193.04958	5.5
194.07295	1.7
195.08133	1.0
199.09663	1.2
201.05482	20.5
205.06497	1.7
209.16469	0.9
219.06471	8.0
221.05995	2.5
222.06816	2.5
223.07571	1.4
233.06003	2.1
234.06807	1.0
237.09209	1.8
249.05545	1.2
250.06273	1.8
251.07103	1.0
264.08356	0.8
265.08624	2.8
267.06525	3.3
270.05270	1.0
278.05545	0.8
279.10281	1.0
282.08951	3.8
292.07346	1.5
293.08057	2.8
307.09708	2.9
310.08221	2.1
311.09061	1.6
325.10715	23.1
325.14316	1.8
343.08069	2.3
343.11801	10.4
343.30615	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	343.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01877	0.9
55.05505	2.1
58.42663	0.7
65.03955	0.7
65.20693	0.7
67.05489	0.7
69.03436	1.7
71.19801	1.9
73.02894	0.7
79.05499	3.3
81.03409	1.0
81.07056	2.3
83.08641	0.7
85.02912	1.0
91.05484	8.6
93.07059	9.5
93.87080	0.7
94.04129	1.0
95.04971	3.2
97.02891	1.0
97.37389	0.8
100.11267	9.8
103.05469	6.8
105.04534	0.8
105.07042	1.3
107.04955	2.7
107.08614	6.1
107.48722	0.6
109.06516	1.2
109.10228	0.9
111.08072	1.0
115.05451	1.3
117.07006	1.3
119.04950	1.2
121.06515	100.0
122.03650	1.0
123.79239	0.9
125.05988	1.1
127.03935	1.6
129.06920	1.2
131.04922	1.1
133.02863	6.3
135.04439	2.6
135.08067	17.4
137.05984	14.4
138.06421	1.2
139.03816	0.6
142.03244	1.3
146.03619	0.9
149.05977	2.2
150.06799	1.7
151.03886	1.0
151.07642	1.1
153.09109	2.3
161.05994	2.5
162.02231	1.7
163.03929	2.6
163.07625	5.2
165.05551	1.1
173.06036	1.2
175.07559	1.1
177.05530	1.6
181.05026	1.4
181.08588	5.2
181.09966	0.7
189.09175	1.5
190.07784	1.4
193.04967	1.2
194.07254	1.0
199.09592	1.2
201.05455	3.5
205.04912	0.9
205.10178	2.2
207.08038	1.0
209.16478	0.8
218.07317	1.7
222.06801	1.2
222.84706	0.8
223.07605	0.8
225.05367	0.8
233.06033	1.7
233.09671	3.8
234.06711	1.2
235.07552	0.9
239.07069	1.7
246.06725	0.8
249.05624	0.7
249.09105	0.9
250.06267	1.5
250.09853	0.8
251.06898	1.0
261.09076	2.5
265.08649	2.2
265.12225	1.3
267.06631	0.8
267.10132	0.8
278.09314	1.0
284.10229	0.8
293.08221	1.6
293.11710	4.9
295.09476	1.6
307.09793	1.6
310.11935	1.4
313.14398	3.9
325.10712	4.0
325.14401	14.3
343.11462	1.5
343.30731	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	343.1178
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
51.02373	0.5
53.03951	2.7
55.01882	0.8
55.38837	0.3
59.67882	0.3
65.03937	0.7
67.05502	0.7
69.03416	0.6
69.07058	0.4
77.03920	1.2
78.04696	0.4
79.05495	1.2
81.03424	0.5
81.07054	1.0
85.02880	0.5
91.05484	8.7
93.07049	10.5
95.04984	3.1
95.08588	0.9
97.06521	0.4
98.21493	1.1
98.97562	0.6
101.86790	0.3
103.05476	8.4
105.03399	0.7
105.04510	1.0
105.07021	0.7
107.04964	2.2
107.08614	2.4
109.06535	0.7
109.10174	0.5
109.70847	0.3
112.75163	0.3
115.05450	0.9
117.07027	1.0
119.04947	0.7
119.08560	0.4
121.06511	100.0
122.03672	0.7
122.06844	0.9
123.04418	0.7
123.11705	0.4
128.10448	0.3
130.04016	0.4
131.04921	0.6
133.02858	12.4
135.04463	2.3
135.08058	2.0
137.05986	6.5
143.04881	0.7
145.02872	0.7
145.06470	1.0
147.04425	1.2
149.02379	0.5
149.05981	4.2
150.06783	3.0
151.03896	0.3
151.64659	0.3
157.06790	0.4
158.03682	0.7
161.05962	0.5
163.03926	0.4
163.07562	1.1
165.05495	1.9
165.06860	0.7
167.07051	0.6
173.05981	1.9
175.03860	0.7
175.07509	0.8
177.05507	1.4
177.06995	1.1
179.08578	0.5
181.05035	0.8
181.06531	0.5
181.08699	0.9
183.08043	0.4
186.03163	0.6
193.05014	1.2
193.06590	0.4
194.07323	1.3
195.08075	0.9
201.05460	6.9
205.04921	1.0
205.06543	2.9
208.97870	0.4
211.07449	0.4
219.06418	2.4
221.05930	0.9
222.06854	1.3
223.07645	0.9
233.05957	2.3
234.06735	0.8
236.08228	0.4
237.09169	1.9
239.07117	1.0
249.05426	0.9
250.06343	1.6
251.07095	1.3
254.09293	0.4
255.10213	0.8
264.07800	0.5
265.08606	4.9
266.09235	0.4
267.06604	0.5
269.08057	0.8
277.04971	0.4
278.05792	1.0
283.09805	1.3
292.07324	1.6
293.08093	4.2
294.08780	0.4
297.11218	1.7
301.10547	0.6
307.09607	3.9
310.08215	0.7
311.09320	0.5
325.10660	8.8
325.14197	0.6
343.11722	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01881	1.0
55.05500	3.2
57.03440	1.0
61.36303	1.1
69.03425	1.6
69.92010	4.4
77.03944	1.1
79.05500	3.8
81.07066	2.7
83.08624	2.7
85.02897	1.7
91.05499	10.2
93.07047	12.3
95.04987	2.0
99.04482	1.2
100.11266	22.8
100.11884	1.8
103.05472	6.7
105.04513	1.2
105.07021	1.9
107.04932	4.4
107.08606	7.2
109.02913	1.3
109.06536	1.7
111.08019	0.9
115.05515	1.5
117.07020	1.3
119.04985	1.1
121.06512	100.0
122.03665	1.9
123.04485	1.2
127.03901	1.8
129.06985	1.7
130.04115	1.1
131.04926	1.0
133.02867	7.4
135.04453	3.0
135.07104	1.8
135.08064	22.1
137.05988	23.0
138.06299	1.6
139.03848	0.8
143.04898	1.2
145.06447	1.1
145.86241	1.0
149.05981	2.9
150.06758	2.1
151.03870	1.5
151.07582	3.0
153.09143	3.2
161.05989	3.2
162.02155	1.1
163.03957	3.8
163.07536	6.0
165.05492	1.9
165.06953	0.8
167.08588	1.1
173.06018	1.1
175.07486	1.6
177.05467	1.1
177.07037	1.2
181.05109	1.2
181.08569	4.7
187.07596	1.5
189.09222	1.0
190.07811	2.1
194.07323	1.1
199.09709	1.6
201.05487	3.6
205.06586	1.5
205.10158	3.5
207.07944	1.7
209.16518	2.6
211.07452	1.0
215.08789	1.1
218.07254	1.7
221.06035	1.5
221.09561	0.9
222.06757	2.0
232.08940	1.0
233.06033	1.8
233.09660	5.4
235.07570	3.3
237.09146	2.5
247.07509	1.1
249.05540	1.4
249.09041	1.6
250.06206	1.8
250.09848	1.5
251.06924	1.1
252.07835	1.0
253.08585	1.5
255.10010	1.0
261.09201	4.4
263.07028	2.4
265.08792	4.2
265.12119	2.8
267.53540	1.0
268.07260	1.0
269.08093	2.5
277.08612	1.3
278.09366	1.4
284.10596	1.4
293.08459	1.5
293.11633	9.3
294.12271	1.2
295.09610	2.7
297.11160	1.8
307.09711	1.5
310.11914	1.7
313.14319	5.4
325.10635	5.9
325.14236	28.0
343.11630	1.6
343.30734	19.9
348.43106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.05503	10.0
56.96567	6.7
57.07077	5.6
67.05497	17.8
69.03433	4.8
69.07072	4.8
71.04987	12.2
71.58292	8.1
76.64034	3.7
79.05492	13.9
81.03412	6.4
81.07066	25.5
83.04980	6.4
83.08630	4.1
85.06534	4.7
86.66125	3.9
91.05494	21.5
93.07056	55.0
95.04971	40.0
95.08604	59.2
97.06525	9.9
97.74805	3.8
103.05431	7.0
105.07033	69.3
107.08610	41.3
109.06509	16.0
109.10132	6.4
115.39413	4.2
117.07034	22.3
118.40800	3.9
119.08605	22.8
121.06525	21.2
121.10138	14.9
123.08070	21.1
123.50938	4.5
129.06989	6.9
130.07817	7.8
131.05020	3.9
131.08589	10.1
133.06429	5.2
133.10121	16.7
135.08095	22.1
135.11668	17.4
137.05971	7.0
137.09641	4.8
138.08626	4.1
143.08533	5.3
145.10118	54.0
147.08110	11.0
147.11714	6.8
149.09593	5.1
151.07564	36.8
157.10091	11.5
159.11667	5.4
161.09598	8.5
161.13274	6.4
163.11200	41.6
165.09100	16.2
173.13261	4.7
175.11169	5.1
175.84024	3.8
189.09000	4.8
189.12773	7.2
191.10654	4.7
203.14319	9.1
221.15414	20.5
240.23163	5.0
247.17000	4.1
250.09407	4.4
263.16293	4.7
308.60556	4.4
320.16412	4.5
325.21497	11.7
325.24973	5.2
343.18784	8.0
343.22711	100.0
343.26807	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	343.2272
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03930	5.8
55.01867	5.5
55.05514	17.1
56.96559	5.3
57.03431	6.3
57.07080	6.6
58.48650	2.8
59.05004	7.0
67.05505	30.5
69.03430	10.9
69.07052	8.9
69.22929	29.9
71.05008	18.7
78.87617	2.6
79.05503	23.2
81.07056	32.2
83.04961	7.1
83.08635	3.6
85.02923	4.7
85.06572	4.6
87.31933	3.0
91.05486	30.9
93.07050	59.0
95.04985	51.2
95.08616	71.9
97.06548	18.8
98.21124	15.4
98.97594	5.4
103.05453	4.0
105.07037	70.6
107.04946	4.9
107.08615	51.6
109.06535	16.8
109.10165	8.5
113.09631	2.9
115.05453	5.0
117.07013	25.6
119.08596	29.2
121.06528	32.2
121.10139	15.9
123.08086	20.9
129.07021	4.3
130.07794	16.0
131.08582	13.5
133.06551	3.7
133.10138	21.7
135.08067	22.9
135.11713	15.5
137.05986	5.3
137.09683	7.0
143.08585	13.3
145.06464	3.7
145.10136	79.4
147.08055	12.3
147.11725	8.8
149.09631	4.7
151.07544	35.3
153.09074	3.7
155.08551	4.1
156.09398	4.8
157.10146	9.7
159.08092	4.1
159.11700	9.7
161.09657	6.8
161.13300	3.5
163.07489	4.1
163.11188	50.8
164.07104	30.2
165.09108	16.0
169.10109	6.2
171.11732	9.8
175.11288	3.2
177.09225	7.3
179.07045	5.5
183.11642	4.2
185.13324	5.8
187.11179	5.2
189.12762	9.6
195.11678	5.4
197.13318	5.9
203.14372	4.8
207.10059	3.8
207.11867	3.8
207.13847	5.8
209.15460	4.5
213.74045	3.3
215.14339	3.6
221.15421	26.2
225.12794	3.5
233.15306	4.3
263.16339	4.6
270.11398	4.5
273.10074	3.6
307.20596	3.6
325.21765	11.4
343.15799	7.0
343.22690	100.0
364.60159	3.2
365.38614	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	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.66920	2.7
52.20960	2.9
53.03942	3.5
53.17857	2.6
55.01867	5.2
55.05512	13.7
55.51095	3.5
56.96555	5.2
57.03435	8.1
57.07077	6.5
59.05001	3.3
60.55970	2.7
67.05511	26.7
69.03449	7.7
69.07055	8.2
69.55068	22.2
71.04988	12.5
79.05501	20.9
79.61686	3.1
81.03428	4.8
81.07067	24.7
83.04984	6.2
83.08640	4.0
83.16203	3.2
91.05491	27.9
93.07056	53.0
95.04974	37.8
95.08617	59.4
97.06557	15.4
103.73547	3.2
105.06394	4.2
105.07047	61.4
107.04973	4.7
107.08595	42.6
109.06528	11.3
109.10154	10.9
115.05456	5.7
117.07030	24.6
119.08590	26.3
121.06516	32.8
121.10148	15.9
123.08062	14.3
123.11713	3.9
125.09615	3.4
129.07022	3.6
130.07779	10.6
131.08585	8.6
133.06519	5.9
133.10158	17.2
135.08044	19.6
135.11694	16.4
137.05954	4.2
137.09615	6.1
142.07800	4.1
143.08543	10.7
145.10138	57.0
147.08104	8.3
147.11736	7.2
149.09625	5.2
151.07558	26.0
155.08591	3.6
157.10126	8.7
159.11681	8.6
161.09642	5.7
161.13274	4.3
163.11200	45.2
164.07074	32.1
165.09137	10.9
169.10143	3.3
171.11755	4.3
173.09691	4.8
175.11191	7.1
175.51617	3.5
177.09102	4.6
181.10088	3.2
185.13263	3.4
187.11153	3.1
189.12796	4.6
197.13319	5.3
199.14821	4.6
203.14276	6.7
207.13741	3.8
209.15424	3.4
211.14934	4.3
213.16971	3.5
215.10663	3.7
215.14229	3.7
221.15384	24.3
240.23221	4.3
258.23660	2.9
263.16449	4.2
325.21637	9.6
343.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.0
55.01855	7.3
55.05523	33.7
57.03428	11.5
57.07073	5.5
62.79012	4.7
64.16492	4.5
67.05511	51.3
69.03416	6.9
69.07066	23.8
71.04987	7.7
78.22516	4.8
79.05500	40.0
81.03387	5.1
81.07063	38.8
83.05000	7.5
83.08633	9.7
84.72379	4.3
85.06535	12.1
91.05470	45.9
93.07053	94.0
94.07832	11.8
95.04978	94.0
95.08620	100.0
97.06528	7.4
98.21494	16.1
103.05471	5.0
105.07046	80.4
107.04971	10.9
107.08611	63.2
109.06533	49.6
109.10168	33.5
111.04456	6.9
112.05247	5.9
117.07051	13.3
119.08580	37.1
121.06503	28.0
121.10162	29.2
123.08086	25.9
123.11690	8.1
125.05919	4.5
130.07791	12.4
131.08595	14.7
133.06470	8.1
133.10138	14.3
135.08034	22.0
135.11684	23.9
137.05980	9.9
137.09622	13.8
143.08560	15.0
145.06470	8.2
145.10127	40.8
147.11687	16.6
151.07593	6.7
153.12659	5.3
153.55031	4.3
154.88548	4.9
157.10121	9.9
159.11748	9.1
161.09668	8.8
161.13144	6.0
163.11208	33.5
164.07092	27.5
165.12787	48.9
169.10161	4.8
170.10918	5.1
175.14885	8.3
181.12248	16.5
229.24475	6.9
284.26501	6.5
314.16153	4.6
318.85913	5.0
338.98093	5.5
343.22757	16.5
343.26590	5.6
343.37677	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	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15371	1.5
53.03944	2.3
55.01878	2.2
55.05511	20.2
57.07074	4.7
60.72009	1.5
62.44046	1.6
67.05510	75.4
69.07074	32.3
71.05012	8.1
71.57065	1.8
77.03886	1.5
79.05492	24.5
79.25287	1.8
81.07061	100.0
83.04984	3.9
83.08621	15.5
85.06536	8.7
91.05491	13.3
93.07053	30.7
95.08617	85.7
97.06529	6.8
97.10183	10.7
98.35659	1.6
99.08097	4.0
105.03390	3.6
105.07033	10.5
107.08603	23.0
109.06555	3.2
109.10162	51.2
111.08070	3.3
111.11703	3.2
117.07034	3.7
119.08585	13.8
121.06545	8.1
121.10146	25.5
121.10939	3.0
123.08052	3.7
123.11723	21.5
125.09599	3.7
131.08582	9.8
133.10118	15.6
135.08058	2.1
135.11696	20.1
137.09650	4.5
137.13301	9.0
139.11206	3.9
145.10156	7.2
147.11717	11.2
149.13287	9.1
151.11172	3.1
151.14877	2.3
159.11700	5.4
161.13269	9.7
163.07596	2.1
163.11143	2.7
163.14850	4.7
164.07066	13.0
165.12776	7.1
173.11874	3.4
173.13310	5.8
175.14908	4.8
177.12756	1.9
177.16429	2.9
179.14345	6.7
184.09465	2.2
187.14861	4.5
189.16426	2.8
197.15367	2.0
201.16388	2.3
206.25708	1.7
209.15497	2.2
243.21175	12.2
261.22150	23.2
263.74652	1.9
270.11310	1.9
279.23203	80.1
280.23764	2.0
297.24200	7.7
307.26288	2.5
311.19025	1.9
325.21768	1.8
325.28726	1.7
343.22626	3.1
343.30112	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01865	1.3
55.05513	7.3
56.96552	1.1
57.07055	1.9
59.04986	1.1
61.02900	0.9
65.03926	0.8
67.05504	7.1
69.03433	10.7
69.07068	19.0
71.04988	3.1
71.58463	1.0
71.58864	0.9
73.02917	0.9
78.30141	0.7
79.05489	5.5
81.03430	1.7
81.07063	26.0
83.04983	6.0
83.08627	5.3
84.96017	0.9
85.02898	1.8
85.06548	6.2
91.05494	4.8
93.07056	9.6
95.04984	2.3
95.08608	18.1
97.02920	1.2
97.06535	3.8
97.10181	1.3
98.97566	1.2
99.04453	2.1
99.08093	4.6
101.06041	1.8
103.05463	1.0
105.07035	3.8
107.04967	1.6
107.08604	11.8
109.06549	1.5
109.10168	8.5
110.97572	1.1
111.04445	2.0
111.08096	6.2
111.11736	4.4
116.98656	0.8
117.06976	1.3
119.04948	0.9
119.08571	3.1
120.09291	1.0
121.06509	7.4
121.10179	4.6
123.11713	18.0
125.09625	1.1
127.11192	4.9
129.05452	6.8
129.06941	0.8
133.02866	6.1
133.10156	1.6
135.08047	9.4
135.11705	6.0
137.05986	7.3
137.09627	1.2
137.13231	4.1
139.11218	1.7
145.05057	1.1
145.06355	0.7
145.10165	1.4
147.11702	1.4
149.06000	1.3
149.13214	1.6
150.06734	1.2
153.09090	1.2
153.12732	9.9
159.11798	1.1
161.13254	3.2
163.07550	3.4
163.11189	1.4
163.14815	1.0
164.98506	0.8
165.05554	1.2
165.12762	2.9
166.06334	0.7
171.13802	1.7
175.07567	0.9
177.05591	0.8
179.14322	2.0
181.08603	4.2
188.06825	17.3
196.09451	24.4
201.05475	2.0
201.16380	1.3
219.06570	1.0
222.06784	1.0
237.18500	2.3
265.08545	1.1
267.06964	1.0
277.25342	1.7
289.25256	2.6
292.07224	1.2
295.26309	2.9
307.26303	11.6
311.09271	1.0
325.10693	2.4
325.27359	3.3
343.16312	100.0
344.16599	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.05509	1.6
56.96564	0.7
57.07076	8.3
58.06599	1.6
58.11118	0.2
67.05219	0.2
67.05511	2.7
69.07076	1.6
69.40394	1.9
71.08282	0.3
71.08631	4.8
72.08144	1.0
75.64596	0.2
77.03885	0.3
79.05486	0.8
81.03420	0.3
81.07059	3.3
83.08630	2.2
85.02906	0.3
85.06522	0.3
85.10187	2.9
86.09705	1.6
91.05489	1.3
93.07040	1.7
94.07372	0.3
95.04930	0.4
95.08051	0.5
95.08613	6.1
97.06518	0.3
97.10174	0.8
98.97585	0.3
103.05463	0.9
105.07011	0.4
107.08615	0.5
109.06429	0.3
109.10155	3.4
109.40107	0.2
113.32531	0.2
117.07059	0.3
119.08564	0.5
121.06512	5.5
121.10083	0.3
122.06835	0.9
123.11681	0.9
131.08537	0.3
132.10208	1.0
133.10143	0.6
135.11642	0.3
137.06032	0.2
145.10110	0.7
150.05501	0.5
159.11681	0.3
164.07088	4.2
165.16272	0.3
183.17433	3.2
199.79361	0.2
240.23222	100.0
241.23573	0.9
270.11374	0.3
343.28986	1.8
364.05515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.6
56.96563	3.2
57.07082	10.2
63.66387	1.5
67.05509	15.0
69.07070	10.6
69.44115	11.9
71.04984	3.5
71.08629	4.1
76.13014	1.4
79.05480	6.1
81.07059	28.1
83.08627	7.1
85.06535	5.2
85.10175	4.9
91.05492	8.6
93.07053	17.7
95.05006	1.8
95.08616	44.2
96.86249	1.3
97.10161	3.8
97.52187	1.8
98.97597	1.9
103.05475	2.9
105.07034	10.5
107.08607	19.1
109.10163	34.5
113.09650	3.8
117.07015	2.6
119.08587	9.0
121.06516	13.6
121.10161	16.3
123.08060	1.9
123.11709	12.9
131.08582	4.1
133.02811	9.3
133.10110	9.9
135.08057	2.0
135.11681	12.6
137.05981	11.1
137.09529	1.6
137.13226	12.1
145.10144	5.6
147.11720	9.0
149.13274	9.4
151.11276	1.7
151.14848	3.7
159.11693	6.6
161.13190	7.4
161.35612	1.6
163.03957	2.1
163.11214	1.7
163.14803	5.4
165.06944	1.6
171.11693	3.0
173.13240	3.6
175.14828	3.8
177.16367	2.9
183.17430	3.4
185.13182	2.4
187.14812	5.3
189.16336	7.7
191.14320	3.7
191.17955	12.2
193.05067	1.8
201.05441	3.6
201.16406	4.8
203.17929	3.0
205.06526	1.7
205.15904	2.3
215.17929	2.8
217.19635	2.5
219.06564	1.7
229.19545	2.2
240.23239	100.0
254.03477	1.7
269.22662	3.5
307.09946	2.2
325.10672	5.3
325.28891	23.5
343.11606	2.4
343.26160	3.3
343.29938	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	343.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.7
56.96560	2.2
57.07074	11.3
65.03936	1.6
67.05173	2.1
67.05508	24.9
69.07069	21.3
71.04984	5.2
71.08620	3.0
71.42558	2.3
74.09085	1.3
79.05496	15.7
81.07057	85.4
83.08626	10.4
85.06529	11.7
85.10159	1.4
91.05472	12.8
93.07050	39.1
95.08610	100.0
97.10159	5.9
105.07027	27.8
107.08598	50.7
109.06541	1.8
109.10159	59.1
111.08084	2.5
111.11688	1.8
113.09667	3.0
117.07011	1.6
119.07784	2.4
119.08584	29.4
121.06493	2.7
121.10149	43.4
123.08125	2.3
123.11708	38.2
123.65899	1.3
125.09605	2.5
131.08574	8.3
133.10135	29.9
135.08057	3.3
135.11702	43.3
137.05957	2.2
137.09619	4.4
137.13264	35.7
137.57002	1.1
143.08562	3.1
145.10147	16.5
147.11691	30.7
149.13261	22.4
151.11211	2.3
151.14833	6.6
153.12769	1.6
157.10139	4.6
158.11023	2.0
159.11699	16.6
161.13272	19.5
163.11263	1.7
163.14832	20.6
165.12856	3.2
171.11719	3.7
173.13280	14.4
175.07658	1.5
175.14835	13.0
177.12779	3.6
177.16396	7.6
179.14333	3.6
185.13272	3.5
187.14810	14.7
189.16386	23.7
191.14330	11.0
191.15747	1.5
191.16286	1.5
191.17932	12.4
191.88948	1.4
193.15944	2.8
199.14781	3.0
201.16364	16.9
203.17934	9.3
205.15901	6.6
205.19514	4.1
207.17445	23.6
213.16478	3.3
215.17958	13.3
217.19539	5.1
219.17532	2.6
227.18008	2.5
229.19507	5.8
233.19000	2.9
241.19576	5.6
243.21033	4.8
247.78961	1.3
255.21172	3.4
257.22830	1.6
269.22635	5.2
283.24109	2.8
285.25800	2.3
297.06723	2.2
299.27448	3.3
319.98004	1.3
325.25104	2.9
325.28894	48.6
343.29962	83.7
343.36893	10.2
344.30469	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.4
57.07077	7.9
58.07413	1.0
62.06086	2.2
67.05511	9.5
69.07073	10.0
71.04997	1.7
71.08628	2.8
71.37757	1.5
72.08952	1.5
79.05495	6.1
81.06583	1.8
81.07059	36.3
82.04275	0.9
83.08627	4.7
83.35988	0.9
85.06544	5.0
90.30764	1.2
91.05492	4.0
93.07047	19.0
95.04953	1.4
95.08608	43.8
97.10166	3.6
97.21756	1.0
105.03391	1.5
105.07037	11.3
107.08601	20.3
109.10152	21.6
113.09622	1.3
119.08577	14.3
121.10149	20.2
123.11712	19.8
131.08563	3.1
133.10144	13.2
135.11693	21.0
137.09671	1.4
137.13263	11.5
139.11154	1.4
145.10138	7.2
147.11691	12.6
149.13237	10.2
151.11169	1.8
151.14804	2.7
159.11682	7.1
161.13246	7.2
163.07530	2.0
163.14830	9.8
165.16443	1.2
171.11685	2.1
173.13274	5.8
173.14546	1.0
174.18515	1.7
175.14822	5.6
175.18848	2.3
177.12759	1.1
177.16379	4.4
179.14259	1.3
185.13190	1.3
187.14842	6.5
189.16379	14.5
191.14316	4.1
191.17944	4.8
199.14774	1.3
201.16429	6.1
203.17976	5.7
205.15907	4.2
207.17453	15.4
213.16431	1.4
215.17982	7.3
217.19478	2.2
219.17436	1.2
227.18021	1.0
229.19565	1.2
230.24855	1.7
231.25143	2.0
233.19002	1.6
241.19493	2.2
243.21114	1.8
245.19218	0.9
255.21164	2.2
269.22672	1.4
325.28912	23.2
343.30066	34.2
343.37628	100.0
344.30109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03980	1.7
55.05507	9.3
56.96558	3.0
56.97173	1.6
57.03466	1.4
57.07080	10.5
58.07409	2.7
67.05508	23.4
69.07073	13.6
71.05001	1.6
71.08635	5.0
74.24976	1.4
79.05505	15.4
79.64108	1.5
81.07062	100.0
82.25352	1.6
83.04969	1.4
83.08625	7.2
85.06547	2.0
85.10242	2.6
91.05477	8.8
93.07049	34.7
95.04996	1.7
95.08614	77.1
97.10171	3.2
98.21613	2.8
105.07042	16.9
107.08600	37.8
109.10160	34.7
111.08092	2.7
111.11698	2.3
117.07041	2.3
119.08583	24.8
121.06492	2.2
121.10152	30.4
123.08057	2.0
123.11721	36.1
131.08549	3.4
133.10152	29.3
133.11115	3.1
135.08064	6.0
135.11696	42.5
137.09673	2.0
137.13269	27.4
143.08568	2.1
143.51071	1.5
145.10150	10.4
147.11682	21.6
149.13248	11.3
157.10110	2.1
159.11699	12.3
161.13257	13.3
163.14825	23.2
165.12712	2.9
171.11775	1.7
173.13286	6.3
175.14828	6.8
177.12813	2.1
177.16405	6.3
179.14307	4.5
185.13315	2.6
187.14853	10.8
189.16397	41.5
191.14359	3.6
191.17937	4.4
201.16415	8.5
203.17984	8.8
205.15948	7.7
206.16655	2.1
207.17456	60.4
215.17990	19.0
217.19548	3.7
219.17384	3.8
221.19043	2.0
229.19603	3.4
233.19066	2.4
241.19604	3.0
249.49588	1.7
255.21133	3.9
283.26367	5.6
284.26654	37.9
287.31506	2.8
299.27328	2.4
325.28909	27.2
343.29990	82.0
343.33990	17.2
343.37695	47.8
343.41980	2.3
344.30350	2.5
352.85001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16211	1.6
55.05505	11.8
57.07077	8.3
67.05513	27.6
69.07081	20.7
69.62056	8.8
71.04997	13.2
79.05494	15.7
81.07065	60.8
81.60031	1.6
83.08616	12.9
85.06538	14.3
88.05760	1.7
91.05480	10.7
93.06476	2.5
93.07049	41.6
95.08613	100.0
97.10162	7.4
98.21530	3.5
103.05447	1.7
103.17560	1.6
105.07040	23.7
107.08604	54.4
109.06506	2.0
109.10162	83.8
111.08092	2.3
113.09646	12.7
117.07024	2.3
119.07792	2.4
119.08595	29.9
120.48943	1.9
121.06500	7.6
121.09309	3.1
121.10152	44.1
123.08054	1.7
123.11721	32.1
127.75709	1.8
131.08565	8.9
133.02785	3.4
133.10144	22.5
135.11703	44.2
135.99416	1.7
137.05986	3.7
137.09628	3.6
137.13268	28.1
139.11128	2.0
145.10147	12.7
147.11687	18.1
149.13268	24.4
151.11171	2.1
151.14790	6.7
153.12766	3.8
159.11684	16.4
161.13257	14.3
163.11177	2.5
163.14809	11.7
165.12747	2.5
171.11699	3.5
173.13260	14.1
175.14824	17.2
177.16350	9.6
179.14331	2.3
187.14799	9.9
189.16397	24.6
191.14403	9.0
191.17944	38.0
199.14767	4.2
201.16402	16.0
203.18048	8.7
205.15865	3.3
205.19492	5.2
207.17445	3.5
212.55144	1.6
213.16510	2.3
215.17975	7.9
217.19548	4.3
219.17395	2.6
219.21143	2.1
227.17935	3.3
229.19473	6.6
231.21127	2.7
233.18954	2.4
241.19540	5.4
243.21046	2.5
255.21065	4.4
269.22681	6.8
273.22192	2.0
283.24191	3.8
287.23639	2.1
299.27261	2.4
307.09592	1.7
325.28934	60.3
343.11963	2.2
343.24783	8.0
343.29941	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36070	0.4
55.05542	0.4
57.03450	0.7
61.02922	2.2
63.65290	0.3
65.03944	0.9
69.03435	3.4
69.53102	0.3
70.06587	1.4
70.81232	0.8
71.04993	0.4
73.02912	0.4
81.03429	1.2
81.07058	0.4
84.08147	0.5
85.02908	16.5
86.09708	0.8
91.03945	0.5
91.05485	3.9
97.02895	4.1
99.04469	0.6
109.02868	1.4
110.71819	0.4
116.07103	1.3
119.04942	14.4
123.04440	2.3
127.03910	2.3
136.07555	0.4
137.06015	1.2
145.04958	3.3
147.04414	100.0
148.04675	0.6
151.03940	0.8
164.07047	0.8
165.05481	54.7
180.08655	1.5
182.08118	1.4
201.12416	0.6
344.13574	1.2
344.19376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.7
70.06590	4.2
70.60338	6.3
85.02899	4.4
86.09725	2.9
91.05481	5.5
97.02891	2.8
100.88161	2.8
101.89766	2.7
115.45818	2.5
116.07097	11.4
119.04987	17.5
121.06532	3.2
147.04420	100.0
149.06007	3.7
163.24838	2.3
165.05496	72.4
218.97244	2.6
320.22046	2.6
330.54779	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	344.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
62.92609	0.3
70.68767	0.7
73.22995	0.2
73.52106	0.3
77.07937	0.3
79.05508	0.3
81.07030	0.4
85.02923	0.3
91.05502	1.7
93.07059	2.8
95.04947	0.5
99.18861	0.3
100.11251	0.9
103.05477	1.6
104.04987	0.6
105.05772	0.7
108.02512	0.3
110.06125	0.4
118.71761	0.3
120.08096	0.3
121.06516	23.3
122.06035	2.1
122.06821	0.4
134.06017	0.6
150.05515	6.6
162.02234	0.3
162.20753	0.3
164.07079	100.0
165.07535	1.0
166.08675	0.5
224.09239	0.8
244.08398	0.4
270.11273	8.9
290.48254	0.3
344.14941	0.4
344.31165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
59.43530	0.3
62.18995	0.2
71.10727	0.6
77.03903	0.5
91.05478	1.7
93.07040	2.5
95.04994	0.4
103.05476	2.2
104.04999	1.1
105.04504	0.4
105.05822	0.3
106.06581	0.4
109.90668	0.3
110.06052	0.4
120.08070	0.4
120.79903	0.3
121.06516	22.8
122.06039	1.9
134.06012	0.8
150.05525	7.5
164.07076	100.0
165.07527	1.0
166.08679	0.5
182.08127	0.6
224.09233	0.8
253.72061	0.3
257.99564	0.3
270.11255	9.5
274.48904	0.3
282.72598	0.2
302.13831	0.4
325.36130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62166	0.1
53.03954	0.6
55.10902	0.1
61.86391	0.1
69.66303	1.0
77.03934	0.3
91.05496	1.4
92.05071	0.2
93.07047	2.4
95.04985	0.5
103.05480	1.8
104.04961	1.0
105.04564	0.2
105.05741	0.4
110.06033	0.4
113.87589	0.2
120.08114	0.2
121.06518	25.2
122.06065	1.4
122.06828	0.3
134.06049	0.7
138.05464	0.2
150.04301	0.3
150.05518	7.8
164.07080	100.0
165.05504	0.2
165.07407	1.1
166.08669	0.4
182.08153	0.5
206.08054	0.2
224.09282	0.8
270.11276	8.3
294.99646	0.2
302.13910	0.2
313.23410	0.1
344.14847	0.3
345.58490	0.2
355.27127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
58.55051	0.2
69.26199	0.6
69.26610	1.8
91.05495	1.7
93.07051	2.4
95.04979	0.5
102.05923	0.2
103.05473	1.7
104.05000	1.0
105.05779	0.4
110.06036	0.2
111.42512	0.2
113.97417	0.2
119.04949	0.4
120.08092	0.5
121.06516	24.8
122.06070	1.3
122.06783	0.3
123.04432	0.4
123.50018	0.3
134.06041	0.8
137.06052	0.2
150.05516	8.1
150.06688	0.5
164.07077	100.0
165.07474	0.8
166.08592	0.4
180.06551	1.0
224.09215	0.8
270.11282	8.6
302.13965	0.3
344.11386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01872	0.2
62.54144	0.2
64.40795	0.2
65.10604	0.2
67.05512	0.4
69.07077	0.7
70.27287	0.7
71.05017	0.2
75.56451	0.1
77.03948	0.3
79.05508	0.6
81.03437	0.4
81.07060	0.6
81.10381	0.2
82.21926	0.2
87.78367	0.2
91.05489	2.4
93.07059	2.9
95.04982	0.9
95.08620	0.2
97.06541	1.9
98.20714	0.3
98.21288	0.4
103.05493	1.6
104.05009	0.9
105.05807	0.4
105.07012	0.3
109.06554	0.2
110.06088	0.3
115.07562	0.4
120.08130	0.4
121.06519	26.7
122.06045	1.7
122.06824	0.3
134.06094	0.8
135.11646	0.2
136.55534	0.2
147.11685	0.2
150.05522	8.3
164.07082	100.0
165.07434	0.8
166.08609	0.4
182.08127	0.5
194.39273	0.2
199.04333	0.2
224.09135	0.9
229.03159	0.2
269.73459	0.2
270.11285	7.8
270.14209	0.4
273.18362	0.2
302.13861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99590	3.2
69.03421	2.4
70.06583	0.8
71.55934	1.1
76.02239	4.0
83.04981	1.5
85.01121	0.9
85.02914	3.6
86.00661	11.8
86.06072	4.8
86.99055	2.8
88.04002	4.4
89.06055	5.1
91.05496	5.7
91.29226	0.7
93.07050	2.7
95.08620	1.9
97.02874	1.3
101.00616	36.0
103.02134	1.4
104.05344	1.1
105.00099	2.2
107.08621	1.5
113.64291	0.8
119.04951	10.4
121.06519	4.5
122.01959	1.4
122.02753	20.3
125.06020	1.7
126.03754	1.1
132.01169	39.9
133.08623	3.0
135.11740	1.4
136.07600	3.4
137.09645	1.2
139.11218	1.8
144.04774	1.5
147.04427	54.9
148.04308	1.2
149.06020	4.7
159.11728	1.0
163.11148	1.6
164.07100	0.9
164.61923	0.9
165.05492	24.0
166.13904	0.8
167.07059	100.0
168.07481	0.9
173.02713	4.5
180.06554	1.8
182.08112	1.4
190.05347	30.9
205.12277	3.3
208.06035	1.4
208.82539	0.8
223.13338	19.5
226.31169	1.0
236.03831	0.9
240.34142	0.9
242.50436	0.9
248.09058	0.9
255.10388	0.9
266.10110	0.8
294.09726	1.6
312.10657	1.0
327.12634	0.9
327.20126	1.2
344.15298	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
55.01879	1.5
55.05522	0.4
58.99586	1.7
64.95731	0.4
69.70367	1.7
72.08172	0.9
76.02238	2.6
77.03923	0.6
79.05514	0.7
79.48103	0.4
83.04977	1.8
84.08131	0.6
86.00671	4.8
86.09712	1.2
86.99048	1.2
91.05476	3.9
92.95988	0.4
93.07049	7.5
95.04993	1.0
95.08613	0.9
97.06551	0.6
101.00600	3.1
103.05461	0.5
105.00107	1.6
105.07085	0.4
105.85307	0.4
107.08643	2.0
111.08092	0.9
119.08585	0.6
121.06524	8.4
121.10139	0.9
122.02734	7.5
123.08086	4.3
125.05952	0.4
125.09660	0.5
132.01163	6.9
135.08057	0.5
135.11720	4.1
137.09578	0.8
145.10127	0.8
149.05992	100.0
153.09111	0.5
159.11658	0.8
163.11209	2.9
177.12825	0.7
205.12251	65.2
206.12593	1.1
263.35196	0.4
271.42905	0.4
326.14203	0.5
344.15213	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	344.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35150	1.2
55.05512	1.7
56.96565	1.9
57.03439	2.3
59.05007	48.6
61.02919	3.2
63.63465	1.0
67.05511	1.5
69.03439	7.7
69.65012	2.5
69.65437	4.8
70.06590	3.7
71.04993	1.6
72.08171	1.9
73.02914	2.2
76.88329	1.0
77.06038	2.5
79.05491	2.1
81.03426	3.3
83.04991	1.7
84.08156	1.9
85.02438	1.6
85.02924	28.5
85.03431	1.9
86.09715	1.8
87.04455	1.4
89.06039	19.4
91.03936	1.8
91.05477	4.7
95.05001	1.5
97.02917	8.6
98.21487	1.6
98.97583	4.6
99.04444	1.4
103.07596	55.6
109.02905	2.7
109.10178	1.3
116.07084	1.6
116.98624	2.6
117.03355	1.2
119.04975	9.4
121.08616	1.7
122.06065	5.4
123.04457	1.9
127.03921	4.1
133.08620	8.1
134.04591	1.9
135.04439	1.7
136.06197	2.8
137.06004	9.5
143.03157	1.5
145.02841	2.1
145.04950	3.6
146.06012	7.0
147.04425	45.0
151.03926	1.8
152.06964	1.4
153.05438	1.6
158.99669	2.1
163.03917	11.7
164.07088	40.2
165.05493	27.9
165.11250	100.0
166.11649	1.3
167.07077	1.2
170.99583	1.3
177.05559	1.2
180.08725	1.6
182.04984	26.8
182.08234	1.6
183.06532	1.4
197.12939	1.2
209.15526	1.6
237.02811	1.4
267.01770	1.9
326.12402	4.2
344.09732	6.5
344.13412	4.4
344.17303	2.1
345.13254	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05513	5.8
55.92766	0.8
56.96561	1.6
57.03438	1.8
58.50730	0.7
59.05000	0.9
62.97650	0.7
66.91452	0.8
67.05499	5.8
69.03418	1.2
69.07062	3.1
69.23528	6.7
69.23931	1.8
71.04987	1.0
76.88463	0.7
79.05500	5.3
81.03416	2.5
81.07066	11.3
83.04982	1.8
83.08603	3.9
85.02894	1.5
87.04434	0.9
90.19968	0.7
91.05508	4.9
93.07066	7.2
95.04974	2.9
95.08624	4.6
97.06561	0.9
97.10176	6.0
98.20735	1.6
99.08078	1.2
103.05460	2.6
105.07040	2.5
107.04971	1.1
107.08604	3.9
109.06473	1.6
109.10156	2.1
111.04424	1.5
111.08065	1.9
112.23112	0.8
117.06992	1.0
119.08571	2.5
121.06514	31.4
121.10093	2.3
122.06039	1.6
123.08079	4.4
125.09642	4.4
131.08563	1.6
133.10135	1.3
135.08064	1.2
135.11685	1.3
137.09645	2.1
139.11153	0.9
143.08772	0.8
145.10165	1.8
149.09610	1.5
150.05539	6.6
153.12720	1.1
157.10170	1.0
159.11667	1.2
161.09572	1.0
163.11217	1.7
164.07079	100.0
165.07520	0.7
177.12790	1.0
181.12094	0.9
189.11241	2.3
193.12260	1.0
224.09262	1.2
227.12747	1.0
258.22458	0.7
270.11270	8.7
273.18555	2.8
291.19553	17.3
309.20599	14.6
344.11829	1.7
344.26300	1.5
345.20428	0.9
364.02014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01870	2.6
55.05505	5.7
56.96579	2.5
57.03432	5.9
65.03926	2.3
67.05509	23.2
69.03437	2.8
69.07070	30.9
71.05005	10.8
71.58751	2.7
73.02921	1.9
79.05495	27.3
81.03420	16.5
81.07059	25.8
83.04980	5.4
83.08617	4.2
85.02863	1.8
85.06551	4.7
91.05486	18.6
93.07049	25.0
95.04968	18.6
95.08588	14.3
97.02864	2.1
97.06534	100.0
97.10172	2.9
98.97585	3.8
99.08109	7.0
103.05463	4.3
105.07036	11.0
107.04952	2.5
107.08611	12.2
109.06525	8.6
109.10169	8.6
111.08061	2.0
115.07571	23.5
117.07001	8.0
119.08585	9.3
121.06513	37.5
121.10131	5.9
122.06860	3.6
123.08031	1.8
123.11733	2.5
129.06979	3.8
131.08588	9.0
133.02882	2.4
133.10110	9.7
134.03227	1.9
135.08043	7.7
135.11717	6.0
136.08382	4.3
137.05963	6.7
137.09630	2.3
143.08597	4.0
145.10143	5.1
147.08125	2.6
147.11722	4.4
149.09622	2.9
149.13269	5.1
150.05511	6.0
153.09109	2.8
157.10117	3.7
159.11725	7.3
164.07085	53.4
165.09160	1.8
171.11697	3.5
175.11267	2.4
177.12772	9.2
185.13326	2.1
195.13855	5.7
213.84166	1.8
215.82031	1.7
217.15968	1.9
219.13693	2.0
223.07303	1.9
223.13356	3.0
241.08318	1.6
270.11353	6.2
273.18433	4.3
291.19550	4.7
294.23764	1.9
308.10083	2.4
326.10968	3.2
327.17764	1.9
344.11966	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01868	4.9
55.05507	7.1
56.96561	2.9
57.03430	7.4
65.03942	1.9
67.05158	2.7
67.05502	24.4
69.03416	2.2
69.07074	34.7
71.04619	1.5
71.04985	11.1
71.25228	3.0
73.02915	3.4
79.05498	26.9
81.03419	14.8
81.07060	23.6
83.04996	4.3
83.08644	4.1
85.06549	2.6
91.05491	28.9
93.07049	23.6
95.04971	20.9
95.08601	15.1
97.02893	2.3
97.06535	100.0
98.97602	3.5
99.08075	5.3
103.05464	6.0
105.07029	11.4
107.04970	5.0
107.08598	12.4
109.06516	8.6
109.10155	5.4
111.08109	2.7
115.05454	2.1
115.07583	26.6
116.98600	2.8
117.07027	7.1
118.52528	1.6
119.04937	2.2
119.08591	7.5
121.06514	42.3
121.10130	4.9
122.06045	2.3
122.06855	4.9
123.08092	2.9
123.11668	2.3
123.14044	1.6
129.07025	3.0
131.08571	8.1
133.06516	2.0
133.10132	7.0
135.04315	2.0
135.08044	5.1
135.11682	6.4
136.08382	2.4
137.06006	6.9
138.06332	2.5
139.07535	3.7
145.10114	4.8
147.04320	2.3
149.09621	2.7
149.13228	4.6
150.05499	5.8
157.10194	2.3
158.99539	1.9
159.11705	6.4
161.09662	3.2
164.07076	86.3
173.13040	2.5
177.12766	6.3
195.13837	6.2
223.11093	1.7
223.13271	3.5
270.11133	8.4
273.18427	5.9
291.19556	7.1
308.99054	2.0
326.10941	2.6
327.18082	2.8
344.18781	2.9
344.22787	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	344.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44436	1.4
55.01866	2.0
55.05509	4.3
56.96565	1.6
57.07084	2.5
57.19746	1.5
59.01078	1.5
67.05510	20.7
67.94823	1.4
69.07059	6.2
71.04975	3.0
71.08595	2.0
71.57948	2.5
79.05491	9.5
81.07067	18.4
83.08610	4.6
88.07622	2.9
91.05488	7.8
91.65215	1.6
93.07058	16.1
95.04942	2.8
95.08604	11.5
97.06485	2.0
103.05440	3.5
104.99307	1.7
105.07024	4.9
107.08634	7.5
109.10155	14.3
111.08044	2.0
117.07021	2.0
119.08597	3.6
120.82699	1.8
121.06516	28.6
121.10149	10.4
122.06020	3.1
123.11705	1.5
131.08577	3.3
133.10135	3.5
135.11752	7.5
138.76395	1.7
139.11200	2.1
147.11710	4.5
149.13277	3.6
150.05493	7.7
151.11159	1.7
159.11664	2.8
161.13310	2.0
163.65007	1.5
164.07085	100.0
173.11765	6.8
173.13240	1.5
187.13336	3.6
195.13800	4.0
241.19524	2.5
259.20459	5.0
270.11203	8.3
277.21707	14.8
285.26892	2.2
291.23157	3.9
306.88928	1.9
344.18753	2.4
344.25555	15.1
344.31415	2.4
344.38290	8.9
345.20322	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	345.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36996	1.3
61.02919	3.9
69.03433	5.3
70.28352	5.5
73.02946	2.2
81.03433	2.5
85.02919	9.6
87.02576	1.4
87.63966	1.3
91.03976	3.5
97.02898	6.6
101.00904	2.1
111.52898	1.3
119.01952	3.1
120.95421	2.3
127.02413	1.5
127.03946	4.8
131.01958	1.6
131.98099	1.3
138.96411	8.7
143.01895	2.7
145.03487	1.7
145.04953	2.0
150.72438	1.4
155.01942	3.1
156.97507	40.0
158.97256	4.4
158.99890	2.7
161.02965	2.0
173.03008	2.9
174.04541	1.5
174.98560	11.1
177.00967	9.6
180.97488	10.4
182.97226	1.5
183.05035	3.0
185.02995	2.7
194.99068	18.2
198.98564	47.2
200.98340	9.4
201.00983	11.2
204.98026	1.6
213.00116	74.9
214.96490	4.2
216.99611	8.2
219.02029	100.0
220.02159	2.1
228.97676	1.8
231.01202	6.5
234.06688	3.6
238.95786	2.1
242.03682	4.8
245.05124	6.3
249.65373	1.4
255.07169	3.5
256.97647	18.4
261.03195	1.6
263.06073	1.5
264.07736	8.1
279.98489	2.5
280.97089	3.5
285.02524	7.0
298.97903	55.5
303.03333	57.1
303.06821	3.1
303.98520	2.0
305.07117	2.4
321.04388	16.3
321.99393	8.8
330.05240	2.0
344.99957	22.7
345.03793	2.1
345.10349	2.1
347.07816	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
56.96574	0.9
60.46870	0.4
65.03955	0.5
67.05495	3.4
69.07050	0.5
69.41750	0.5
71.57066	0.7
77.03944	0.9
79.05497	1.1
81.07066	1.1
83.96581	0.4
91.05480	6.9
93.07050	10.9
94.07395	0.5
95.04969	4.2
95.08640	0.5
103.02467	0.9
103.05465	7.7
105.04543	1.1
105.06989	0.6
107.08578	0.4
109.06562	0.7
109.10152	0.8
119.08421	0.5
121.06512	100.0
122.06836	5.5
135.02873	0.5
135.11613	0.7
137.06001	0.6
137.09682	0.5
147.01366	0.8
150.05531	1.1
151.03920	0.8
151.05917	1.2
153.04034	1.0
153.14484	0.5
155.05609	0.6
155.08476	0.6
161.02960	0.6
164.05678	0.8
164.07074	16.8
165.04012	1.5
165.05489	5.0
165.07430	13.6
171.05064	1.1
173.94281	0.5
177.03967	1.0
179.01906	0.9
179.05501	0.7
181.03505	1.8
183.05042	7.3
189.00354	1.4
193.07185	0.6
195.05080	2.0
197.03021	0.6
197.06595	0.5
199.04541	0.8
201.06100	0.8
205.03461	1.3
206.06705	0.7
207.01418	5.7
211.08124	0.5
213.06090	4.9
214.06134	0.5
221.02965	0.7
223.04532	10.5
225.02451	3.5
225.06093	0.8
231.01549	1.0
231.07106	0.7
236.07674	2.4
237.06116	4.5
239.04076	2.6
241.05615	2.0
246.06125	1.6
249.02429	1.3
253.05472	0.6
255.07011	2.5
257.05106	0.9
263.03973	2.7
267.03442	0.8
271.11679	2.2
273.08237	0.8
278.08737	2.6
281.05133	5.7
299.06137	7.3
304.06708	8.0
307.15845	0.9
322.07742	13.4
325.16901	0.9
326.17099	1.0
343.18228	0.5
345.05835	0.8
345.09454	2.2
345.20480	1.2
346.19928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0968
Annotation	(2R,3R)-Aromadendrin 7-methyl ether 3-acetate
Peak:m/z	Relative Intensity
50.23092	0.1
53.00303	0.2
55.01868	0.2
55.05513	0.2
65.03944	3.2
67.05515	1.5
68.46325	0.2
71.03964	0.3
81.03396	0.2
83.04988	0.7
89.95229	0.2
91.05486	4.6
93.02808	0.3
93.03407	4.6
94.04188	0.3
95.04960	0.8
109.06503	0.4
111.04420	0.4
114.13665	0.1
119.04953	2.9
121.02875	17.7
121.06518	0.3
123.04455	0.3
137.05984	15.3
139.03908	19.3
149.02351	8.8
157.06541	0.2
165.05466	0.3
166.05043	0.2
167.03406	100.0
168.03766	0.6
179.07074	0.2
191.03340	0.2
201.19148	0.1
209.04459	28.2
210.04761	0.2
220.10486	0.1
257.08020	0.3
275.09177	0.3
303.08624	7.4
317.10196	0.5
345.09695	22.3
346.09979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0969
Annotation	Trypacidin
Peak:m/z	Relative Intensity
55.01881	0.4
59.83913	0.3
65.03942	2.7
67.05493	1.0
70.03511	0.9
70.03896	0.6
74.24207	0.4
79.05493	0.6
81.07063	0.8
85.02916	0.5
88.61176	0.3
91.05487	33.3
93.07060	0.5
95.04947	0.6
95.08627	0.7
97.02936	0.5
99.03910	0.4
103.05463	0.6
104.59245	0.3
107.04968	0.4
109.06523	1.5
115.05480	0.3
119.04950	16.9
119.08585	0.4
121.02876	1.5
121.06491	1.4
121.56738	0.4
122.03638	0.7
123.04443	1.0
129.05545	0.3
131.04942	1.0
137.05984	100.0
138.06332	0.9
139.03923	1.8
149.02347	6.0
151.03922	0.6
153.05420	0.4
157.06668	0.4
163.03954	0.8
165.05502	2.0
165.06833	0.6
165.09189	0.6
167.03374	2.3
167.07133	0.7
174.32890	0.4
191.03421	1.4
191.07019	1.2
193.06734	0.4
195.27725	0.4
209.04451	4.6
209.06209	0.6
211.07562	0.6
221.05937	0.6
221.08076	0.4
225.09227	0.5
241.08566	0.5
253.08601	0.5
267.06650	0.7
267.10129	0.6
271.17218	0.5
281.08411	0.4
285.07611	0.7
295.09653	0.6
303.08578	1.7
313.10678	1.0
327.08575	0.6
327.12244	1.0
345.09433	1.7
345.13367	1.4
345.19104	0.6
353.15836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.097
Annotation	(2R,3S)-5,4'-Dihydroxy-7-methoxy-3-O-acetylflavanone
Peak:m/z	Relative Intensity
51.02386	0.2
53.00315	0.3
53.03933	0.2
55.01871	0.3
55.05513	0.3
60.70313	0.1
65.03938	2.9
67.05505	1.2
70.63200	0.3
79.05477	0.2
80.43468	0.1
81.07043	0.2
83.04980	0.4
91.04899	0.1
91.05481	4.6
93.03407	4.8
93.07033	0.7
94.04190	0.2
95.04955	1.2
95.08604	0.3
97.02877	0.2
98.97584	0.2
103.05461	0.7
105.03393	0.2
105.07030	0.3
107.08594	0.3
109.06551	0.2
109.10152	0.2
111.04442	0.2
119.04953	2.1
119.08588	0.2
121.02869	17.3
121.06504	7.1
123.04433	0.3
131.04939	0.5
131.08559	0.1
133.02821	0.3
135.08023	0.2
137.05978	11.7
139.03905	14.0
147.04408	0.2
149.02348	8.6
163.04007	0.1
165.05498	2.6
166.15286	0.1
167.03401	100.0
168.03746	0.5
173.06055	0.3
175.07611	0.2
178.07646	0.2
179.07141	0.3
179.08603	0.3
182.07249	0.1
191.07054	0.4
206.75706	0.2
209.04453	30.7
210.04863	0.3
210.06770	0.2
225.09206	0.3
234.06580	0.2
235.07329	0.2
243.10146	0.2
253.08620	0.2
261.99976	0.2
267.10199	0.2
271.09634	1.0
285.11249	0.4
295.09653	0.3
303.08630	8.3
313.10709	1.6
317.10388	0.3
335.11560	0.2
345.09683	20.7
345.13104	1.1
346.10046	0.4
357.33746	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	345.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01875	0.8
57.03444	0.9
61.02923	1.7
67.90083	0.7
68.99811	0.7
69.03446	3.9
71.21417	1.4
73.14812	0.7
79.05482	2.4
81.03410	1.9
81.07051	0.9
85.02913	12.8
87.04464	0.8
89.03919	7.5
91.05492	1.6
95.04994	1.3
97.02913	3.9
99.04453	1.0
105.03409	0.7
107.04955	2.8
109.02895	1.8
109.06534	1.0
111.04442	2.1
117.03386	9.1
121.06473	1.0
122.03631	1.0
123.04417	5.7
125.06010	9.7
127.03888	1.6
133.02876	2.2
135.04425	17.1
135.05415	1.1
137.05988	20.4
139.03876	3.1
145.02864	11.5
145.04982	2.1
147.04414	1.6
148.04761	1.4
151.03937	10.7
152.04715	1.6
153.05473	19.4
163.03922	100.0
165.04152	1.3
165.05489	20.5
166.05855	0.8
167.07072	8.6
175.07545	0.8
183.06551	30.3
229.38747	0.6
310.94995	0.6
313.10757	0.7
345.14490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1183
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
50.11518	1.2
53.03942	3.1
53.26733	1.1
55.01864	1.9
57.03435	3.4
61.02921	4.1
63.02335	1.2
66.04713	1.6
67.05511	2.6
68.99773	3.7
69.03442	9.4
71.53376	2.4
73.02906	2.4
73.30138	1.2
78.86301	1.3
79.05486	4.6
81.03412	4.6
81.07049	2.4
85.02908	34.7
89.15669	1.1
91.03951	1.9
91.05483	5.5
93.03418	2.6
94.04188	2.4
95.04980	4.4
97.02895	11.4
99.04449	2.5
105.03396	2.4
107.04974	3.7
109.02909	4.3
109.06522	5.3
111.04416	7.4
119.04951	1.7
121.06532	3.4
122.03669	3.3
123.04433	21.8
125.05994	34.5
127.03876	6.7
131.04964	1.5
133.02869	5.7
135.04427	4.4
137.05983	82.1
139.03889	11.7
145.04985	5.6
149.05928	2.6
151.03922	23.7
151.05089	2.5
152.04672	7.6
153.05475	80.9
161.05978	1.3
163.03920	2.7
163.06075	1.6
165.05482	77.3
167.07057	31.9
170.23059	1.3
177.05321	1.6
183.06537	100.0
191.07074	2.9
221.05998	1.9
237.09079	1.5
254.74292	1.3
255.53667	1.8
265.08560	1.8
285.11066	1.8
297.10916	1.3
309.11243	1.3
345.14841	9.1
358.97653	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
54.53984	0.8
55.01875	0.9
55.05529	0.9
65.03954	1.5
67.05502	1.3
77.03934	1.3
79.05492	1.6
81.07044	1.8
91.05488	12.6
93.03401	2.0
93.07063	10.4
94.04185	2.5
95.04979	3.4
103.05479	12.4
103.15684	0.8
105.07036	3.1
107.04967	1.2
107.08616	0.9
109.06473	0.9
119.04959	2.5
121.02866	10.7
121.06512	100.0
122.03651	4.7
122.06864	1.2
123.04448	1.2
131.04941	7.1
133.02841	0.8
133.06519	8.0
135.08061	3.1
137.05991	66.4
139.03899	12.6
145.06442	1.1
149.02359	5.0
149.05910	1.1
151.03871	1.1
151.07578	2.3
153.07123	0.9
163.07556	15.3
165.05504	10.3
165.06911	1.2
165.09096	0.9
166.05022	4.6
167.03412	53.1
167.05319	2.7
175.07567	1.3
177.09082	1.1
189.09264	1.5
191.07045	1.8
194.07208	1.0
206.60455	0.9
209.04478	14.5
209.06366	0.9
211.08856	1.0
225.10268	10.9
241.08673	0.9
249.09218	1.2
252.46133	1.0
253.09752	10.6
267.10059	0.9
281.09128	2.4
285.11368	1.2
295.09659	2.4
295.13257	1.5
299.10263	8.5
303.08527	3.9
313.10757	2.8
314.11273	0.9
327.09653	21.8
327.15543	0.9
345.10684	58.4
346.10745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1335
Annotation	Dihydromilletenone methyl ether
Peak:m/z	Relative Intensity
51.02376	0.6
53.03933	1.9
53.84825	0.4
59.01374	0.5
60.08944	0.4
65.03939	1.2
67.05495	0.6
69.38274	3.1
73.51186	0.4
77.03932	1.2
79.05490	2.8
81.07040	1.0
91.05491	5.8
93.03402	0.8
93.07046	3.0
94.04165	1.2
95.04952	1.6
95.08615	1.6
103.05460	3.2
105.03394	1.4
105.04509	0.5
107.08559	0.5
109.06533	2.5
119.04977	2.5
121.02869	1.3
121.06509	36.7
122.03667	1.1
131.04922	0.8
133.02921	2.4
133.03773	0.5
135.04404	0.8
137.05984	12.0
139.03908	2.0
147.04395	0.9
149.02342	1.7
151.03958	1.0
153.05341	0.4
155.89876	0.5
165.05482	100.0
166.04999	1.4
167.03415	4.1
167.05365	1.3
167.06979	0.9
173.05942	0.7
175.03876	0.8
181.04962	2.6
181.06348	0.5
191.07039	1.0
192.03053	0.5
193.04987	0.4
195.79289	0.5
207.06416	0.5
209.04405	0.9
225.09149	0.9
232.25658	0.4
245.08189	0.5
267.10364	0.5
271.09772	3.0
285.11197	0.6
313.10883	1.6
327.12589	0.5
345.09366	0.8
345.13583	2.9
363.05423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
53.42743	0.3
55.05499	0.5
56.96561	0.7
57.03418	0.3
67.05500	1.0
69.03417	0.8
69.07063	1.2
71.58542	0.4
77.03928	0.4
78.68188	0.3
79.05476	0.8
80.05796	0.3
81.03422	0.9
81.07057	1.3
83.08610	0.4
85.02899	0.5
91.05486	6.9
93.07050	10.5
95.04958	2.5
95.08589	1.2
97.02868	0.8
97.10196	0.4
98.97587	1.7
103.05475	8.7
105.04529	1.0
105.07014	0.4
107.08624	0.9
109.10155	0.6
116.98612	0.6
117.07009	0.4
119.08564	0.6
121.06509	100.0
122.06821	0.7
133.10071	0.3
135.04454	0.3
135.08026	0.7
137.05991	2.1
137.09622	0.3
145.10121	0.4
151.03885	0.8
157.15465	0.3
159.11636	0.4
161.01262	0.3
165.05489	7.9
165.06894	0.5
167.03427	1.1
177.00793	0.4
181.12819	0.3
201.00536	0.3
209.04349	0.4
238.09604	0.5
249.02829	0.4
271.09769	0.3
273.13535	0.5
313.03513	0.3
313.10632	0.5
345.05948	0.6
345.09518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00306	0.2
51.02372	0.3
53.03951	2.0
54.59632	0.2
55.01866	0.3
68.39445	0.2
69.75105	1.5
77.03935	0.7
78.85093	0.2
79.05489	0.4
91.05492	6.1
93.07052	9.1
95.04974	1.9
103.05476	7.9
105.04504	0.6
121.06513	100.0
122.06855	0.8
126.63116	0.2
151.03963	0.5
164.07095	1.0
165.05482	6.9
165.07475	0.6
230.70604	0.3
230.73257	0.3
293.46698	0.3
320.36511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
51.85329	0.3
53.03949	2.4
55.01867	0.8
65.03935	2.6
67.05506	1.4
77.03926	0.9
81.03407	0.4
81.07027	0.4
83.01406	0.3
83.04978	0.7
88.58479	0.2
91.05482	11.1
93.03405	4.0
93.06468	0.5
93.07047	9.9
95.04974	2.4
95.08580	0.4
97.02906	0.2
103.05469	8.2
105.04504	1.0
109.06529	0.4
111.04427	0.5
116.87213	0.3
119.04946	3.2
120.38350	0.2
121.02880	15.2
121.06505	100.0
122.06835	0.9
122.88028	0.3
123.04438	0.6
131.04950	0.4
135.04411	0.3
137.05981	14.0
139.03905	13.2
147.04428	0.6
149.02345	6.7
151.03915	0.8
151.07487	0.3
161.05940	0.3
165.05486	10.4
165.06870	0.4
167.03403	82.9
168.03796	0.5
175.07562	0.4
187.07489	0.4
191.07100	0.3
209.04456	24.1
257.08032	0.3
271.09634	0.4
281.08099	0.4
285.07715	0.3
303.08621	6.1
317.10123	0.3
327.08676	0.4
327.12219	0.3
345.06546	0.7
345.09692	17.8
345.13266	1.0
346.09955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
57.29414	0.4
61.60665	0.5
70.73135	0.5
71.24168	0.8
74.23851	0.6
74.24363	0.4
77.03897	0.7
79.05490	0.5
86.94764	0.5
91.05486	7.0
93.07043	10.2
95.04955	1.6
103.05462	7.8
105.04501	1.0
110.40946	0.5
113.17189	0.5
121.06509	100.0
122.06861	1.4
125.05940	0.5
137.05957	2.3
139.03828	0.5
151.03961	0.9
164.07089	1.6
165.05496	7.1
165.07405	1.5
167.03427	2.0
243.19797	0.5
250.39145	0.5
327.11969	0.6
344.09857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
67.05523	0.5
70.61424	1.0
77.03902	0.6
79.05479	0.7
81.07052	0.6
84.97144	0.3
91.05486	6.1
93.06467	0.7
93.07048	11.0
94.07359	0.4
95.04991	2.6
103.05478	7.9
105.04523	1.3
109.10146	0.5
111.26025	0.3
113.12032	0.4
121.06513	100.0
122.06862	2.1
137.06001	0.5
141.11453	0.3
151.03896	0.4
156.65538	0.4
164.07062	3.2
165.05493	7.1
165.07397	3.4
205.33620	0.4
281.10760	0.6
299.11401	0.4
325.16882	0.4
345.06277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.2
53.03953	2.0
55.01868	0.3
65.03941	0.7
67.05505	0.5
69.47945	0.2
69.76874	0.8
77.03917	0.7
78.35928	0.2
79.05506	0.5
81.07045	0.6
84.89223	0.2
91.05489	7.7
92.05804	0.2
93.03378	0.5
93.07054	10.0
95.04971	2.3
95.08614	0.8
98.20789	0.2
98.97594	0.3
103.05478	7.2
105.04521	0.8
107.04963	0.3
107.08607	0.4
109.06525	0.5
109.10173	0.3
119.04976	1.0
119.08642	0.2
121.02923	1.7
121.06513	100.0
122.06863	0.7
123.66512	0.2
129.62209	0.2
131.04971	0.2
133.02884	0.3
135.04443	0.4
135.08073	0.2
137.04907	0.2
137.05989	5.1
137.08591	0.2
137.09630	0.3
138.05385	0.2
138.06335	0.3
139.03894	1.6
139.05910	0.2
145.02827	0.3
147.04439	0.3
149.02367	1.0
151.03923	0.8
154.78658	0.2
156.55495	0.2
165.05492	9.3
165.09195	0.2
166.03918	0.1
166.05003	6.5
167.03427	8.9
167.05350	5.4
173.13391	0.2
177.05435	0.6
191.07166	0.3
208.06041	1.4
209.04494	2.4
209.06458	1.5
241.98260	0.2
271.09625	0.4
292.06686	0.3
303.07968	0.3
303.10602	0.8
313.10727	0.6
345.11591	3.0
345.20834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
57.07056	0.8
61.16524	0.6
65.89577	0.7
69.69029	2.1
69.69444	1.4
70.06599	3.0
81.07078	1.0
88.07641	9.3
89.07961	2.0
91.05498	5.7
93.07047	8.0
95.04945	2.2
95.08604	1.1
98.97577	0.7
103.05466	7.9
103.95202	0.7
104.99236	1.1
105.04546	1.2
106.08670	16.1
107.09001	2.9
109.10188	0.7
121.06506	100.0
151.03917	0.8
154.89264	0.6
165.05463	7.5
262.98077	1.0
284.26700	1.2
345.06076	1.4
345.31882	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	345.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
56.69751	1.0
59.19137	1.0
69.95508	2.0
69.95924	3.0
87.54549	0.9
91.05489	7.7
93.07051	8.8
98.20750	1.7
103.05465	6.8
111.93166	1.0
121.06509	100.0
122.06873	2.2
164.07066	5.1
165.05460	8.6
165.07433	3.9
185.71483	1.0
188.99886	1.0
237.52148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	5,7-Dihydroxy-6,8-dimethyl-3-(4'-hydroxy-3'-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
53.03933	0.8
54.26459	0.4
55.01864	0.7
55.05497	0.5
56.84356	0.3
57.03437	0.4
57.48951	0.4
61.02913	0.7
66.04718	0.5
67.05502	0.5
68.99786	0.5
69.03417	1.5
69.66050	0.8
69.66459	1.6
70.06593	0.3
72.08137	0.7
73.02903	0.6
75.71812	0.4
77.03922	0.4
78.72954	0.3
79.05495	2.1
81.03423	0.6
81.07047	1.1
83.04971	0.9
85.02905	4.9
89.03918	1.3
91.05482	2.8
93.07058	0.4
94.04185	3.1
95.04974	1.0
96.20616	0.3
97.02883	1.3
98.97600	0.4
99.04405	0.5
103.05453	0.9
105.03384	0.6
105.07020	0.4
107.04975	1.1
108.73795	0.4
109.02882	0.5
109.06517	1.2
111.04469	0.8
115.05457	2.1
117.03357	2.1
119.04965	1.0
121.06506	2.5
122.03645	7.9
123.04426	3.0
125.05991	4.3
127.03945	0.8
128.00954	0.3
131.04959	2.1
132.05766	0.4
133.02847	1.4
135.04431	5.1
137.05978	100.0
138.06305	0.5
139.03870	1.3
142.43263	0.3
143.04956	1.2
145.02841	3.0
145.04990	1.2
146.03619	0.8
147.04411	1.6
148.04793	0.7
149.05960	2.6
151.03902	3.7
151.07524	0.7
152.04674	0.6
153.05469	9.9
157.08539	0.4
159.04457	0.8
160.05205	1.1
161.05994	3.8
163.03906	22.6
163.07603	1.1
165.05505	9.4
165.06998	1.5
166.05812	0.5
167.07068	3.9
175.07581	2.7
176.04715	1.1
177.05519	0.9
178.07761	0.7
179.07077	0.8
179.08553	1.2
181.06503	0.8
182.07327	0.5
183.06528	13.0
189.06966	0.6
191.07045	5.1
193.06488	1.2
196.08640	0.5
198.07060	0.5
199.01480	0.4
203.07062	1.6
205.06543	0.8
206.07243	0.8
207.08041	1.8
209.06044	0.6
210.06764	1.4
211.07562	0.5
217.06569	0.4
221.05980	2.1
221.08075	1.0
222.06741	0.8
223.07567	0.5
224.08318	1.1
225.09047	2.0
233.05948	0.8
234.06824	1.6
235.07582	1.2
237.09087	1.8
238.06270	1.1
239.10649	0.8
240.07912	0.5
241.08737	0.6
245.41196	0.4
249.09151	1.0
251.07091	0.6
253.08543	3.4
262.06311	0.5
265.08624	2.5
267.07520	0.3
267.10107	2.4
269.08398	0.5
277.08575	3.1
282.08813	0.5
284.10138	0.4
285.11224	3.1
294.08954	0.8
295.09634	1.1
297.11154	2.6
299.12793	0.8
309.11188	4.1
313.10742	1.4
322.57510	0.4
327.12219	1.4
345.13245	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
69.18731	6.3
69.19139	2.6
91.05486	6.6
93.07060	10.9
95.04944	1.7
103.05482	9.9
105.04448	1.0
107.08611	1.4
109.10128	1.4
121.06514	100.0
145.63977	1.1
164.07059	6.1
165.05513	7.4
165.07423	5.1
265.06216	0.9
345.05942	2.0
345.24072	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01883	0.9
55.05264	1.2
55.05515	18.3
55.75092	0.8
57.03442	0.9
58.99580	4.5
67.05499	1.2
68.05022	1.1
71.04999	5.1
71.57327	0.8
79.05502	1.5
79.56342	0.7
80.05021	13.8
81.03419	1.2
81.07071	1.5
83.08623	10.1
84.04506	3.5
85.02917	5.5
86.06047	1.2
86.99070	3.6
91.05478	1.6
93.07039	2.9
95.04973	0.8
95.08594	1.7
96.04530	1.3
97.02872	1.7
101.00838	1.0
107.04955	1.1
107.08599	2.7
108.04462	3.8
109.02895	1.7
109.10197	4.4
111.69561	0.9
114.03766	12.4
114.37180	0.7
116.01688	15.4
119.08620	0.7
121.06503	5.9
125.00517	0.7
127.03918	1.5
129.05473	1.2
131.72386	0.7
132.12201	0.7
136.03912	1.9
137.05936	1.2
137.09618	7.5
139.05780	1.8
142.03232	100.0
143.01883	1.1
144.01135	5.2
144.04836	0.7
151.03841	0.9
159.08392	10.9
162.02211	17.8
163.03931	2.7
165.05472	1.0
165.09125	5.9
170.02724	34.0
183.10123	0.8
193.06046	0.9
199.05420	5.0
211.07225	1.2
221.02913	2.0
227.04826	7.4
242.12154	3.1
245.05954	24.8
252.10736	1.2
262.11154	7.4
270.11624	3.3
298.34689	0.8
301.36917	0.8
327.13910	1.7
334.77029	0.8
345.14856	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.05262	0.9
55.05516	16.7
58.99587	4.5
65.75595	0.5
67.01143	0.5
68.05029	1.3
69.39906	0.9
69.40311	3.1
71.04997	3.8
76.03990	1.2
80.05022	11.1
81.07059	1.0
83.08627	10.0
84.04522	3.2
85.02917	3.3
86.03218	0.6
86.06077	0.6
86.99073	3.6
88.02209	0.7
96.04507	1.3
97.17315	0.6
98.99049	0.5
99.02707	0.7
108.04460	2.7
114.03758	12.6
116.01691	13.5
121.06525	1.7
129.05486	1.3
136.03963	1.9
137.06006	1.0
137.28108	0.6
137.78883	0.6
139.05771	1.3
142.03233	100.0
143.03534	0.6
144.01163	5.0
159.08406	8.0
162.02220	16.5
163.03865	0.9
165.05472	1.1
170.02728	36.5
171.02934	0.6
188.03755	0.7
195.07729	0.5
199.05402	5.1
211.07219	1.0
221.03101	2.7
227.04865	5.3
240.10504	0.9
242.12038	3.5
245.03308	1.3
245.05934	24.4
252.09567	1.2
262.11139	6.4
263.04056	0.8
270.11584	2.9
321.05972	0.9
341.73727	0.6
345.14932	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	17.1
58.99582	3.5
69.03417	1.3
70.88019	1.4
70.88342	1.8
71.04996	7.6
76.04015	1.2
79.05514	1.0
80.05020	14.6
81.07068	2.4
83.04983	1.6
83.08617	10.1
84.04504	2.4
85.02904	8.1
86.99061	2.4
88.02228	2.2
91.05498	1.5
91.09563	0.9
93.07042	2.2
96.04507	1.6
97.02895	1.7
98.97629	1.3
103.05461	1.3
108.04485	1.4
109.10152	1.6
114.03773	13.2
116.01690	13.0
121.06520	6.7
129.05478	1.7
134.99820	1.2
136.03981	1.6
137.05988	2.0
137.09514	1.1
142.03230	100.0
144.01163	6.4
159.08392	8.5
162.02217	12.8
163.03922	3.8
165.05482	3.8
170.02724	40.3
199.05370	5.2
210.92685	0.9
221.02968	5.8
222.03362	1.1
227.04886	5.9
235.58478	0.9
236.21753	1.0
242.12091	3.1
245.03317	1.6
245.05945	26.9
252.09479	4.6
255.01505	1.2
262.11118	5.7
263.03976	1.9
270.11520	3.3
289.60065	1.1
333.39948	1.2
345.14981	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29587	0.4
67.05507	0.5
69.03429	1.0
69.07055	0.5
69.98559	2.1
79.05457	0.4
81.07055	1.6
82.04140	0.4
83.04975	0.6
85.02908	0.9
85.06512	0.4
91.05486	1.1
93.07059	1.0
94.62051	0.4
95.08617	0.9
95.14716	0.4
97.02912	0.4
97.06615	0.4
98.20856	0.6
98.21374	0.7
99.04491	0.7
99.08100	1.1
105.06989	0.5
107.08611	0.6
109.06519	0.6
109.10165	0.5
119.08571	0.5
121.06541	0.6
121.10168	1.0
123.11713	0.5
125.09617	0.8
130.60091	0.4
133.10133	0.8
137.09584	0.5
139.11186	0.7
149.05988	1.2
150.06252	1.0
164.66136	0.4
165.09079	0.5
165.12766	0.8
183.09995	2.1
183.12173	0.5
183.13802	8.7
185.04218	1.3
201.11334	0.4
203.05255	1.6
205.12309	0.5
206.12631	1.1
212.65430	0.5
215.08626	0.4
219.08046	0.5
225.11023	0.5
243.10855	0.7
275.77875	0.4
320.98663	0.4
345.15204	100.0
346.15631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1542
Annotation	Taxuside
Peak:m/z	Relative Intensity
51.02381	1.1
53.03943	3.6
55.01872	4.6
55.05523	3.1
57.03455	2.0
67.05506	17.4
69.03429	17.1
71.04996	6.5
71.56216	2.1
79.05499	5.6
81.03423	11.8
81.07074	8.5
83.04989	2.9
83.08630	2.1
84.08152	2.4
85.02922	6.7
85.06548	1.7
86.09706	2.3
91.05486	36.2
93.07046	20.4
94.04210	1.3
95.05008	2.9
95.08612	28.2
97.02904	17.7
98.97591	2.0
99.03889	1.2
99.04471	4.9
101.02395	14.0
103.05491	2.4
105.07047	4.4
106.99041	1.2
107.08592	3.5
107.20573	1.0
109.02885	35.6
109.06503	1.2
109.10155	25.6
111.04443	1.4
116.07133	1.6
117.07029	2.6
118.67339	1.2
119.08590	76.5
121.06512	15.3
121.10172	1.4
122.03670	2.4
123.08073	3.0
127.03927	20.0
133.10086	2.8
135.11641	1.8
137.05978	30.2
137.06917	2.2
137.09621	65.8
145.04974	2.0
147.08070	9.1
149.06023	3.4
150.06444	2.0
151.11243	3.3
155.10684	4.3
163.07500	1.7
164.07106	3.7
165.09132	15.0
165.12747	1.8
183.08772	1.2
183.10197	5.3
190.05046	1.5
201.11230	100.0
206.12634	3.4
208.06163	3.3
219.10841	2.7
243.10831	1.4
267.10269	2.1
299.15149	1.4
327.14594	6.7
345.15268	89.6
346.12955	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	345.1547
Annotation	Grevilloside D
Peak:m/z	Relative Intensity
53.03943	1.9
55.01867	4.6
55.05509	12.0
65.03928	2.0
67.05508	24.1
68.99792	22.6
69.03421	6.8
69.07056	2.0
71.01360	2.4
71.04990	5.0
71.56207	2.9
73.91147	1.8
77.20602	1.7
79.05489	8.6
81.03427	3.0
81.07065	28.9
83.04984	3.9
83.26879	1.7
85.02921	3.1
87.00829	6.6
91.05473	8.4
91.15501	1.6
93.07043	11.5
95.04986	15.2
95.08611	21.0
97.02866	3.2
97.10177	5.4
105.03423	3.1
105.41483	1.9
107.04943	2.6
107.08604	2.2
109.02877	5.3
109.06506	5.6
109.10168	23.7
110.10468	2.6
111.04419	3.9
115.44897	1.6
119.08618	14.5
121.06500	6.2
123.04472	11.9
123.08060	6.3
127.03973	2.2
137.05974	4.3
137.09634	25.8
142.03221	7.2
147.08066	13.5
163.03909	3.5
165.07803	1.2
165.09129	64.3
183.10185	100.0
309.13669	4.2
311.08081	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
55.01862	1.5
65.03954	0.8
67.05518	0.7
69.03415	1.1
70.24165	2.0
70.24538	1.0
72.08146	2.3
73.08479	0.8
78.24799	0.6
79.05489	2.0
81.07043	0.9
83.04983	0.6
86.09724	4.0
87.10049	1.0
91.05469	4.4
93.07054	1.4
94.04209	3.5
95.04946	0.9
98.21410	0.6
103.05467	9.7
103.71664	0.6
105.07037	5.4
107.04952	1.7
109.06477	1.2
111.04431	1.0
115.05459	1.6
117.07055	1.0
119.04897	1.1
121.06537	4.0
121.10159	1.1
122.03672	8.5
128.06241	0.7
129.06999	0.7
131.04939	10.2
133.06490	15.4
135.04408	1.0
135.08063	7.5
137.05978	100.0
138.06369	0.8
143.04951	1.8
143.08646	0.9
145.06496	2.7
147.04443	0.8
147.08063	1.1
149.05965	1.3
151.03935	7.9
151.05054	0.8
151.07553	5.3
153.05460	1.5
157.06450	0.9
160.05164	0.7
163.07545	31.6
165.05470	1.7
165.06920	0.7
165.09140	0.6
167.06990	0.9
171.04494	0.7
173.06090	0.6
175.07515	2.8
177.09114	1.5
178.07701	0.6
181.06393	0.8
183.13828	1.0
185.16516	1.6
186.11597	0.6
186.16826	1.9
189.09169	1.3
191.07024	4.4
203.07007	1.6
203.10669	1.8
221.06161	0.7
221.08031	3.2
235.07550	0.8
235.11227	1.2
253.08492	0.8
263.10648	1.6
285.11093	0.7
295.13235	3.3
313.10770	0.9
327.12341	1.1
327.15771	0.7
340.99585	0.6
345.13342	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	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01863	1.5
59.67410	0.8
65.03937	3.3
66.39692	1.0
67.05486	2.2
69.20599	10.1
71.29293	0.8
79.05489	2.3
81.07049	2.5
91.05488	15.4
92.05804	0.9
93.03402	4.7
93.07048	8.8
94.04173	2.8
95.04952	3.3
95.08605	1.0
97.02871	1.3
98.38725	0.9
103.05460	12.4
105.04523	1.4
105.07013	3.3
107.04945	2.1
109.06490	1.5
115.05430	1.5
117.07018	1.4
119.04947	4.5
121.02886	15.8
121.06514	81.7
122.03658	8.2
131.04932	9.7
133.06509	14.1
135.08061	5.4
137.05988	99.1
138.06331	1.4
139.02924	1.8
139.03908	19.1
145.06499	3.2
147.08003	1.6
149.02394	7.2
151.03876	1.8
151.07523	3.3
157.06422	1.5
158.06065	0.9
161.05951	1.1
163.07555	26.2
165.05502	12.9
166.05011	14.3
167.03415	100.0
167.05307	11.0
168.03767	1.3
175.07637	1.4
189.09090	1.1
191.07025	1.8
203.10704	1.6
208.06021	3.1
209.02586	1.8
209.04500	26.8
209.06351	5.2
225.10161	3.4
236.13377	1.0
253.09814	7.7
271.09525	1.4
295.09897	1.9
295.13239	3.1
299.10260	6.0
303.08292	7.0
313.10635	1.8
327.09610	11.7
345.10486	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	345.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
66.04735	0.6
69.03425	0.8
69.41254	3.7
79.05506	2.3
81.03374	0.7
81.07039	1.2
85.02914	1.4
85.44191	0.4
91.05489	4.0
93.07026	0.6
94.04191	4.2
95.05007	0.7
95.08624	0.5
97.02917	0.5
102.76644	0.5
103.05475	8.6
105.07041	4.4
107.04967	1.6
109.06521	1.3
115.05441	1.0
117.07011	1.0
118.74087	0.4
119.04958	1.1
121.06517	3.6
122.03661	9.6
123.04393	1.2
123.08088	0.6
123.10528	0.4
125.06059	1.1
128.06206	0.5
131.03925	0.5
131.04935	11.3
133.06505	19.3
135.08083	7.4
137.05989	100.0
138.06259	0.9
145.06490	3.1
147.04457	0.7
147.08052	1.1
147.60278	0.5
149.06044	1.4
151.03915	1.0
151.07559	4.7
153.05493	1.9
156.96623	0.4
157.06499	1.4
161.06012	0.8
163.03929	0.9
163.07558	30.6
165.05495	2.3
165.09111	0.8
167.03365	1.1
167.07050	1.0
171.08072	0.9
175.07558	1.5
177.09160	0.6
183.06578	2.3
189.09108	1.7
191.07059	0.9
203.10686	1.1
235.07681	0.5
235.11304	0.7
245.09608	0.7
253.08815	0.6
263.10825	1.4
264.14017	0.5
295.09735	1.3
295.13336	3.4
327.12396	0.9
327.15982	1.6
345.13568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57673	2.4
61.55813	2.6
67.61740	2.6
71.57560	4.4
81.68367	2.7
91.05472	4.0
93.07057	8.0
94.56618	2.5
103.05482	2.8
111.28846	2.8
121.06533	37.3
121.10152	4.0
122.06882	2.9
136.38437	2.2
153.03049	2.6
164.07085	27.5
165.07478	25.0
271.11658	3.6
305.26767	2.5
315.05518	2.6
327.19333	49.8
328.14560	3.0
345.06186	6.7
345.20413	100.0
345.24152	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	345.2274
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.03937	1.7
55.01857	3.1
55.05510	27.1
56.96566	5.2
57.77628	1.1
59.75145	1.0
67.05506	9.8
69.03437	5.5
69.07066	15.4
70.08829	3.2
70.09167	1.3
79.05493	13.2
79.20881	1.0
81.07063	13.2
83.04976	4.5
83.08622	17.3
85.06527	1.3
91.05479	2.4
93.07042	11.8
95.08640	5.3
97.06506	3.4
97.10172	50.1
98.97572	1.7
103.05474	1.3
104.99276	4.0
105.06993	2.7
107.08602	15.1
109.10162	2.6
111.08083	1.4
119.08527	2.9
121.06473	8.0
121.10139	8.6
123.08083	1.3
125.09635	45.5
133.10138	1.9
135.08041	4.1
137.05974	2.9
137.09558	1.4
139.11186	13.0
143.10635	3.1
153.09114	14.1
157.12288	8.0
165.09129	1.7
171.10172	11.0
172.94215	1.2
189.11224	100.0
190.11551	1.2
191.14377	1.1
203.12633	1.4
226.93011	1.4
262.97992	2.7
291.19406	2.3
292.66599	2.7
309.20590	4.0
327.21539	5.1
345.05920	2.8
345.09680	1.6
345.20444	1.4
345.24109	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.4
56.96568	16.1
57.07074	2.8
59.99897	1.6
65.56187	1.5
67.05156	1.5
67.05496	3.0
69.03401	1.5
69.07064	6.0
69.40747	13.3
73.22646	1.5
77.12297	1.5
79.05511	3.4
81.07063	7.3
83.08621	2.4
84.96043	5.7
85.02912	2.1
91.05476	2.9
93.07043	6.4
95.08605	6.6
97.02913	3.7
97.10172	1.4
97.99198	3.9
98.97587	100.0
105.07062	1.8
107.08612	2.8
109.10204	3.3
110.97575	3.5
112.99139	20.0
116.98628	34.5
119.08541	2.2
120.59933	1.7
121.02931	2.1
121.06496	3.3
121.10143	6.3
122.06895	2.0
124.95476	4.4
126.97021	1.6
128.98599	4.1
131.00182	20.5
134.99686	8.2
137.02325	3.3
137.06023	2.7
140.00221	3.8
140.98648	3.8
142.96547	4.7
144.98116	3.7
147.11572	1.7
149.01266	7.6
154.01738	2.1
157.64537	1.5
158.99660	29.5
159.11711	2.5
172.02773	2.9
173.01236	37.7
177.00716	24.1
184.97623	5.3
189.00793	2.0
191.02283	24.1
191.03842	3.1
200.02467	3.7
200.04294	3.2
201.00746	13.7
202.98613	13.0
214.03888	5.1
219.01764	14.4
220.99646	3.1
224.15125	2.3
226.00418	1.8
226.21687	5.6
226.98582	2.9
233.15759	2.3
242.03253	2.3
244.99751	43.5
245.02306	2.6
256.15005	3.0
256.65298	2.0
263.00806	9.2
264.15604	2.9
268.01379	2.0
273.16205	4.1
280.35623	1.6
284.66818	2.8
286.02271	2.2
298.06296	1.7
314.18845	2.7
334.06015	2.0
346.18088	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	346.045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.3
66.90760	0.6
67.05501	1.4
69.07053	1.1
71.56604	1.1
71.56966	0.7
79.05495	1.0
81.07065	1.7
84.96037	4.9
91.05482	1.7
93.07035	2.1
94.07412	1.2
94.07980	0.6
95.08589	1.3
98.97592	100.0
103.05491	1.1
105.07025	0.9
107.08607	1.2
109.10171	1.0
110.97594	2.5
112.99142	19.4
114.25039	0.6
116.98629	28.9
121.06511	11.4
122.06835	6.3
123.07221	0.7
124.95477	4.5
126.97044	1.0
128.98610	2.3
131.00191	18.5
134.99680	4.7
140.00224	3.1
140.98607	2.4
142.96544	5.0
143.00192	0.8
144.98116	3.1
145.10228	0.7
146.99661	1.7
149.01242	6.1
154.01808	1.9
158.01320	1.1
158.99675	33.0
160.97623	1.9
162.99182	2.2
164.07080	1.7
165.07452	1.2
166.07483	0.8
166.08759	4.7
170.99628	0.6
172.02869	0.7
173.01239	35.3
177.00728	23.6
182.99710	1.6
184.97594	5.5
189.00739	1.3
191.02283	25.2
195.01765	1.3
200.02289	3.7
201.00720	11.8
202.98672	12.0
214.03886	5.1
219.01793	12.2
220.99739	1.9
224.02025	0.7
226.00320	1.3
226.98709	2.9
231.01750	1.9
233.03394	0.7
237.02847	0.9
242.03520	1.5
244.99721	37.6
263.00735	7.1
268.01331	2.6
275.19760	0.7
281.01797	1.0
286.02347	2.7
305.01810	1.4
323.02914	1.4
346.16736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.3
66.90760	0.6
67.05501	1.4
69.07053	1.1
71.56604	1.1
71.56966	0.7
79.05495	1.0
81.07065	1.7
84.96037	4.9
91.05482	1.7
93.07035	2.1
94.07412	1.2
94.07980	0.6
95.08589	1.3
98.97592	100.0
103.05491	1.1
105.07025	0.9
107.08607	1.2
109.10171	1.0
110.97594	2.5
112.99142	19.4
114.25039	0.6
116.98629	28.9
121.06511	11.4
122.06835	6.3
123.07221	0.7
124.95477	4.5
126.97044	1.0
128.98610	2.3
131.00191	18.5
134.99680	4.7
140.00224	3.1
140.98607	2.4
142.96544	5.0
143.00192	0.8
144.98116	3.1
145.10228	0.7
146.99661	1.7
149.01242	6.1
154.01808	1.9
158.01320	1.1
158.99675	33.0
160.97623	1.9
162.99182	2.2
164.07080	1.7
165.07452	1.2
166.07483	0.8
166.08759	4.7
170.99628	0.6
172.02869	0.7
173.01239	35.3
177.00728	23.6
182.99710	1.6
184.97594	5.5
189.00739	1.3
191.02283	25.2
195.01765	1.3
200.02289	3.7
201.00720	11.8
202.98672	12.0
214.03886	5.1
219.01793	12.2
220.99739	1.9
224.02025	0.7
226.00320	1.3
226.98709	2.9
231.01750	1.9
233.03394	0.7
237.02847	0.9
242.03520	1.5
244.99721	37.6
263.00735	7.1
268.01331	2.6
275.19760	0.7
281.01797	1.0
286.02347	2.7
305.01810	1.4
323.02914	1.4
346.16736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52934	0.5
61.02934	0.5
61.90026	0.5
62.04853	0.5
65.03925	0.5
69.03421	0.9
70.06592	0.6
71.55941	0.6
72.08160	0.7
73.02908	0.5
81.07026	0.7
81.52037	0.6
85.02896	2.3
86.09732	0.6
91.05486	3.3
91.05988	0.5
93.07027	0.7
95.04964	0.6
97.02866	0.6
98.98478	23.3
103.05458	1.0
104.10738	0.7
105.07009	0.6
109.06546	0.5
115.05433	2.8
116.04981	0.5
117.05750	1.9
117.07017	1.8
118.06548	3.1
119.04980	0.5
121.06509	3.8
123.04456	0.7
125.00016	47.7
130.06535	0.7
137.05991	1.4
142.06537	2.1
143.07281	3.0
144.04456	1.5
144.08095	11.1
146.06021	6.0
147.04413	1.4
148.04762	0.9
151.11195	1.1
153.05475	2.4
154.05882	0.9
162.05495	0.9
163.03912	1.5
164.04283	1.5
165.05518	1.5
166.05833	1.3
170.06061	4.9
172.07585	25.0
176.07153	1.6
178.08640	11.5
178.10091	1.0
183.06503	1.2
184.07080	1.8
188.07063	5.5
190.04979	0.7
198.05498	2.1
202.08650	9.1
204.10219	71.7
205.10509	0.9
207.10092	0.6
216.06572	4.4
222.07726	3.2
222.11205	3.9
230.08154	4.3
248.09190	25.6
266.10309	1.3
270.04987	0.6
286.04636	0.9
300.06589	0.6
302.07907	10.3
314.04214	2.1
328.05817	4.5
328.12073	1.0
332.05209	1.2
346.06894	100.0
347.07309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.14228	0.4
55.01863	1.0
55.05502	0.4
56.05030	2.4
56.96336	0.4
56.96569	4.0
57.03437	2.7
57.92443	0.4
59.04987	0.3
59.89932	0.3
61.02922	3.2
68.04991	0.4
69.03084	0.5
69.03432	7.7
69.07072	0.4
69.36447	2.9
70.03751	0.5
70.06599	3.7
71.04999	3.6
71.06927	0.5
72.08157	1.8
73.02917	4.2
74.06062	0.4
79.05469	1.1
81.03422	2.9
82.06536	0.4
83.01333	0.5
83.04984	1.0
84.04488	1.2
84.08158	2.7
84.96029	0.3
85.02910	15.9
86.03252	0.6
86.09717	2.3
87.04465	2.6
89.03909	0.6
91.03945	1.3
91.05469	1.3
93.07045	0.6
95.04964	1.0
95.07357	0.7
96.08139	1.8
97.02289	0.5
97.02892	7.9
98.03218	0.5
98.21449	0.8
98.97589	6.9
99.04478	1.8
101.00839	1.3
101.02349	0.5
102.05510	0.3
103.00593	0.4
103.03922	0.5
103.05472	0.8
104.10787	0.6
106.06586	0.5
107.04951	1.3
108.08101	1.3
109.02863	1.4
109.08904	1.0
110.09705	3.6
110.97572	2.2
111.04433	1.1
112.08733	0.5
112.99135	0.9
114.05518	1.1
115.00721	0.4
115.02409	0.4
115.03925	1.2
116.07088	0.9
116.98623	2.6
119.01911	2.0
119.04923	1.1
120.08102	1.3
121.06483	0.6
122.07178	0.8
123.04429	0.4
123.06754	1.7
124.07568	1.1
125.03503	0.7
127.03941	3.3
128.04224	0.4
128.98595	1.4
129.05464	0.9
129.10245	0.9
131.00159	1.0
131.01904	0.7
133.03555	0.5
133.05115	0.8
134.99660	0.8
135.04398	1.2
136.07587	10.7
137.06036	3.1
137.08360	24.4
138.05490	1.1
138.09149	6.1
139.02420	0.4
143.00165	0.8
143.01903	1.5
145.01741	0.6
145.03448	1.4
145.04951	1.7
146.99582	0.8
147.03307	0.5
147.04424	0.8
148.03853	2.1
148.07584	21.1
149.05957	0.4
150.05527	0.4
152.05762	0.6
152.07059	0.7
152.98636	0.5
153.04004	0.6
153.07776	0.6
154.08574	0.9
155.01881	0.8
156.02066	0.5
156.03548	0.7
157.01575	0.5
157.03435	1.0
158.99664	1.5
159.04926	0.4
161.01181	0.8
161.02924	1.2
161.05659	0.6
162.03203	0.6
163.03911	3.2
166.04982	4.2
166.08644	73.7
167.02051	0.5
167.07025	2.1
167.09044	0.8
168.10150	0.5
170.05154	1.1
170.99687	0.6
172.94357	0.9
173.01379	0.6
173.02969	1.5
174.54636	0.6
175.02745	0.4
175.04381	0.8
177.00758	1.5
179.06999	0.7
182.03340	0.5
182.09517	0.5
183.55115	0.6
184.06274	3.4
184.09695	63.5
185.02954	1.0
185.10162	0.5
187.02855	0.6
190.95406	0.6
190.98727	0.5
191.02364	0.4
197.05521	0.7
201.00781	1.0
203.02293	0.6
203.04146	0.4
205.05554	2.8
210.08897	0.5
214.08145	2.5
214.95404	1.3
219.01820	2.2
219.05113	0.6
220.02048	0.5
220.05894	1.8
221.03143	0.5
221.05077	0.7
223.06657	0.7
227.07013	2.0
227.57338	0.4
232.96509	4.0
233.10497	0.5
234.05978	0.5
234.56784	0.6
235.06598	0.8
237.02753	1.9
237.06227	0.5
239.04543	0.6
242.07591	0.5
243.08061	0.6
245.05112	1.1
248.99191	0.7
250.06940	0.9
250.97453	1.7
255.06398	0.8
256.06958	0.4
259.06601	0.6
264.57849	1.2
265.07733	1.6
280.10019	0.9
304.17740	0.6
305.05356	1.7
321.10159	0.7
327.58765	0.4
328.03766	0.7
328.13843	1.4
329.20462	0.4
337.07864	0.4
339.09396	1.5
346.04919	3.1
346.14990	100.0
346.61713	0.4
347.07971	0.7
347.15265	1.3
357.10239	0.7
364.05829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1651
Annotation	Prostephabyssine
Peak:m/z	Relative Intensity
56.96341	0.4
56.96569	5.0
67.05500	0.7
69.07037	0.8
69.79077	0.9
69.79481	1.6
70.98101	0.5
73.06966	0.4
79.05488	0.6
81.07074	2.0
83.08568	0.4
84.42880	0.4
87.04459	1.3
91.05458	1.8
93.07046	2.1
94.07327	0.7
95.01295	0.5
95.04940	0.8
95.08584	0.9
97.06556	0.5
97.99187	0.9
98.97000	0.6
98.97588	5.0
103.05479	1.0
104.04987	0.5
105.03370	0.6
105.06995	1.2
106.06525	0.7
107.08578	0.7
109.10082	0.4
110.11814	0.4
112.99113	0.9
113.02375	0.4
116.98634	2.3
118.06532	2.4
119.08585	0.7
120.08115	0.7
121.06512	8.1
122.06821	2.0
131.00188	0.5
133.10143	0.6
134.05998	1.3
134.99678	0.6
135.04468	0.6
135.11653	0.4
137.04738	1.9
137.05754	0.4
138.05524	2.8
144.08099	0.4
145.10170	0.6
146.06013	1.1
146.08128	0.5
147.11699	0.4
149.53365	0.8
150.05511	0.4
151.06264	1.4
158.99661	1.6
159.11690	0.4
162.05515	2.3
163.06279	1.6
164.07077	7.2
165.07855	1.9
166.04968	0.9
169.03702	0.5
173.01216	1.3
174.05498	1.2
176.03352	0.6
176.07069	2.9
177.00716	0.7
178.08632	1.1
180.06557	1.2
181.03679	0.8
188.07071	0.9
189.16452	0.7
190.05009	6.4
191.02274	0.8
191.05804	1.3
192.06619	2.1
193.01736	0.4
200.04649	0.7
202.08595	0.6
203.02260	0.8
204.06595	6.4
206.08131	22.3
208.06087	3.6
211.02840	0.5
213.04321	0.7
216.06573	0.7
218.04471	2.7
219.01746	0.7
222.07616	10.0
224.09167	1.5
224.15112	1.8
227.19940	0.4
232.06058	1.6
233.15527	0.9
234.07625	3.8
236.05617	1.5
244.06090	0.5
244.66435	0.4
244.99692	1.3
248.09138	0.5
250.07123	83.1
251.07523	0.6
263.00790	0.4
264.15671	0.8
268.13416	0.8
293.67471	0.7
296.12814	0.8
298.06424	0.4
300.16095	0.8
302.68042	1.5
303.18292	0.4
305.18390	0.8
311.68408	0.4
314.13922	1.4
314.18829	3.5
322.05890	0.9
325.69586	1.2
328.15353	1.3
332.15060	0.9
346.16507	100.0
347.16998	1.1
368.07669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	13.6
69.66273	6.3
72.08132	6.5
73.38235	6.1
76.05293	6.6
79.05501	10.2
85.02887	13.2
86.03263	7.7
86.09711	30.8
91.05462	13.0
95.04979	8.6
97.02860	8.7
98.98471	11.6
118.03840	6.6
119.04825	6.2
121.06498	11.1
123.04414	15.5
124.04752	7.1
124.63825	7.1
125.00017	15.1
125.06004	9.5
135.04433	19.3
136.04755	12.4
137.06000	42.9
138.06300	20.7
145.02802	10.8
146.03215	13.0
151.03900	8.5
153.05464	100.0
154.05801	17.0
163.03912	69.7
164.04256	87.9
165.05481	17.5
166.05888	19.0
167.06996	11.3
172.07603	14.2
183.06499	18.8
184.07271	80.7
199.17958	8.7
204.10204	33.4
207.10127	12.5
238.48363	7.7
248.09219	14.6
250.55896	8.0
346.06870	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	346.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.4
56.05037	11.0
68.71205	1.5
69.07074	3.5
70.06599	2.9
70.52120	4.8
72.08155	33.3
74.06082	60.2
79.05480	3.6
81.03434	1.8
81.07068	2.3
82.06588	3.6
83.04966	8.0
84.04508	1.7
84.08147	3.6
85.02888	3.2
85.06544	8.2
86.09708	100.0
88.03987	5.5
91.05474	7.8
92.05795	2.0
93.07033	3.0
97.07622	1.8
98.02406	2.3
98.06074	5.8
99.04463	3.0
100.04011	1.7
109.02879	2.0
116.07104	6.3
118.08708	2.1
119.04955	2.2
121.06526	3.5
121.10139	1.7
122.03605	3.2
124.07584	3.0
126.05516	23.3
126.06372	2.2
127.03883	1.8
127.08672	8.8
132.10205	48.9
136.08447	2.1
137.05984	37.0
138.06329	22.2
138.09167	5.7
139.11304	1.6
141.10219	3.8
142.08629	9.5
144.06580	4.6
153.06593	16.9
156.10260	3.3
157.13373	15.7
166.12247	2.2
167.10680	2.7
169.09755	6.5
173.09329	2.3
175.07576	2.1
184.09738	2.0
185.12877	2.1
187.10779	44.0
197.09215	34.6
201.12337	21.6
203.13922	46.5
215.10254	15.5
229.11858	5.2
245.10297	4.9
254.08818	2.8
268.10510	2.5
284.16049	5.5
286.11539	2.6
328.18561	4.2
346.09305	2.5
346.13483	3.3
356.58908	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	2.4
58.06596	0.4
62.35474	0.3
69.07069	6.6
69.78673	0.2
70.06593	0.4
71.58240	0.3
72.08160	0.7
74.06085	12.4
74.71600	0.3
81.07040	0.2
82.06571	0.3
84.08149	0.6
84.16320	0.3
85.06556	0.6
86.09711	100.0
86.73412	0.2
87.10040	0.4
90.05559	0.4
91.05496	0.4
98.06075	0.8
99.05569	0.4
108.34905	0.3
114.05288	0.3
116.07109	1.7
121.06551	0.5
126.05533	4.2
127.03952	0.3
132.30339	0.2
137.05998	1.0
138.06334	0.4
138.09128	0.5
138.65697	0.3
139.06401	0.3
144.06569	1.6
145.55646	0.3
153.05479	0.8
165.05623	0.4
166.08665	0.8
184.07277	0.6
184.09702	0.5
195.11348	0.8
199.18109	1.0
203.13930	12.8
211.14508	1.1
227.17636	0.5
239.11508	0.6
239.13922	11.0
257.15051	1.0
263.82141	0.3
284.16226	0.7
328.18829	0.5
346.13937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01870	3.3
55.05516	22.4
57.03436	4.1
59.04985	3.0
67.05508	76.7
69.07064	29.7
70.96152	5.6
71.04990	3.9
79.05495	27.4
81.03403	3.3
81.07057	50.8
83.04957	6.1
83.08195	2.7
83.08626	21.6
91.05492	27.0
92.05775	5.4
93.07040	39.3
94.07361	5.1
95.04974	6.2
95.08606	29.0
97.06512	7.9
97.10175	15.3
98.97575	15.1
103.05462	6.1
104.05782	4.7
105.07030	21.6
107.04935	3.8
107.08593	39.4
109.02626	5.4
109.06499	5.7
109.10158	67.5
111.08047	5.7
112.99155	5.5
113.98147	2.8
116.98643	6.9
117.07014	10.5
119.08566	17.2
121.06506	100.0
121.10125	10.6
122.06850	69.0
122.07643	1.3
123.08044	2.3
123.11682	4.3
125.09634	15.1
131.00206	3.9
131.08527	10.9
133.10104	15.7
135.08049	4.1
135.11682	8.1
135.14771	2.4
137.09622	7.9
145.10107	8.7
147.11668	7.8
149.09590	9.1
149.13243	10.5
155.10657	40.3
158.55060	2.4
158.99629	6.2
159.11671	10.3
161.13271	2.9
163.11197	3.6
164.07063	6.5
165.05452	4.7
165.07367	3.1
165.12775	2.1
166.05870	5.0
166.07404	2.2
171.10097	3.1
173.01222	8.9
173.11748	86.7
177.00723	3.9
177.12704	3.0
187.14941	2.4
189.11211	13.5
190.20061	2.3
191.02315	3.0
195.13797	25.7
202.98628	3.1
213.14902	16.1
219.01698	2.7
239.17999	3.2
244.99658	5.4
247.20540	2.5
257.18973	9.5
272.08768	3.5
275.20053	57.9
276.20114	2.3
293.21078	13.8
346.16251	3.6
367.93076	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01876	4.1
55.05510	1.8
56.96563	9.3
57.03447	8.1
60.04537	2.4
61.02931	7.7
69.03433	16.2
69.07063	2.4
70.06617	3.7
70.84757	4.4
70.98145	1.8
71.04993	10.0
72.08161	2.9
73.02910	8.7
74.00660	2.2
76.02221	3.1
76.13646	1.4
79.05490	7.1
80.82979	1.6
81.03417	3.8
81.07059	6.7
82.06605	1.9
82.99865	1.9
83.04987	3.5
84.04503	4.5
84.08125	5.1
84.96020	3.5
85.02431	2.6
85.02912	35.7
86.00680	2.3
86.09696	4.1
87.04479	3.2
88.02213	5.4
89.03917	15.7
91.03941	2.1
91.05488	4.9
93.07041	6.4
94.06492	1.6
95.04981	5.1
97.02885	11.8
98.01294	3.2
98.21178	2.4
98.97588	20.2
99.04437	1.9
100.02176	3.1
101.00897	18.6
102.03794	2.9
103.05476	3.1
105.07008	2.2
107.04951	8.2
107.08580	2.9
109.00514	1.9
109.02888	3.7
109.06519	4.0
109.10139	4.2
109.72281	1.6
110.97590	3.0
111.02043	2.6
111.02744	2.6
112.99127	2.3
113.00892	4.0
113.04245	2.2
114.03740	3.0
115.02425	4.1
115.03914	2.0
116.98639	6.8
117.01853	3.9
117.03372	11.5
118.01041	2.1
118.03703	1.9
119.01933	22.3
119.04927	2.8
120.02594	7.9
121.06532	37.3
121.10098	2.2
122.07020	3.9
123.11678	3.2
126.03649	2.0
127.02417	3.0
127.03989	3.7
128.05319	15.1
128.98631	4.1
129.02214	1.8
129.03088	6.8
129.03941	2.5
129.05464	2.7
129.10240	2.0
130.05002	2.1
130.08658	2.5
131.01901	13.5
133.01563	3.3
133.03503	5.4
134.99841	2.3
135.03323	2.3
135.04425	22.8
136.06206	5.7
136.93137	2.0
137.04570	3.0
137.05972	12.0
138.00710	1.9
140.05302	18.3
141.03941	1.9
143.00177	2.9
143.01878	12.6
143.10535	1.9
144.99765	3.1
145.01668	4.1
145.02829	8.6
145.03596	5.2
145.05003	5.0
146.99722	3.2
147.01288	5.2
147.04366	3.8
149.02983	6.3
151.11174	6.5
152.05682	7.5
154.00276	3.5
154.94139	3.4
155.01880	8.9
157.03508	10.6
158.99698	5.3
159.05020	3.8
161.01122	2.3
161.02957	15.1
162.99345	2.4
163.03908	96.3
164.04247	5.9
169.02464	15.2
169.12198	2.8
171.05035	7.1
172.95294	3.2
172.97652	1.7
173.01282	2.4
173.02974	8.4
173.06612	3.2
175.00850	4.5
175.02318	1.7
175.04556	4.1
177.00967	15.3
177.02405	2.4
178.03123	8.7
179.04875	2.3
181.03502	4.6
182.09987	3.2
183.01297	2.0
183.05003	4.4
184.05856	3.6
185.01437	3.6
185.02974	11.6
185.04359	1.8
186.99130	2.6
187.04515	4.7
188.09721	3.4
189.00865	2.7
189.02455	3.0
189.06075	5.5
190.98634	2.4
191.03864	3.4
195.03459	2.7
195.05167	3.8
196.01297	5.6
197.02957	3.8
197.06548	4.5
199.03647	7.7
201.00920	29.1
201.02538	4.1
201.06168	4.1
201.09470	5.0
203.02415	6.9
203.04062	9.3
203.05673	2.1
205.01959	3.6
205.05579	5.1
207.05125	1.9
208.04053	2.1
209.02988	6.1
209.06596	1.8
213.00809	1.9
213.04321	2.6
213.06137	4.0
214.96294	3.8
215.02428	3.0
215.04164	2.6
217.01955	2.8
219.01958	45.3
219.07103	2.2
220.04160	10.5
221.03189	3.6
221.05115	7.3
223.04668	2.5
223.06644	10.1
225.06201	3.4
226.02443	2.6
226.12561	10.0
227.02402	5.5
227.04333	8.4
229.02174	1.9
229.04620	7.3
231.01901	2.7
231.07756	4.1
233.05057	2.9
235.03041	2.0
237.02861	3.3
237.06123	3.9
238.02444	2.6
239.02325	4.1
239.04478	3.8
243.01982	18.3
243.07999	12.1
244.14006	1.9
245.05243	13.1
251.06566	2.7
257.03561	27.6
259.03003	2.8
261.03046	3.0
261.08331	4.5
263.06064	1.8
265.07813	9.4
277.07755	1.8
278.30289	1.8
287.04587	12.4
287.09494	2.6
305.05716	100.0
306.05658	2.7
311.14255	16.6
319.08487	2.4
323.06540	2.7
328.07147	2.9
329.07361	2.4
329.11258	2.8
329.15308	39.9
330.13660	2.7
339.09537	11.5
347.07986	22.3
347.12228	2.0
347.16287	13.3
348.11526	1.8
357.10693	8.9
365.06000	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01872	0.6
55.05513	2.6
57.07085	0.6
58.32692	0.4
65.03941	0.8
67.05509	0.9
69.03423	0.7
69.07071	0.6
69.73527	2.6
70.06570	0.6
71.05003	1.1
77.03921	0.7
79.05496	0.9
81.03410	0.5
81.07037	1.2
83.04996	3.9
84.04487	0.4
84.08142	0.6
85.02925	0.6
85.06547	11.7
86.09721	0.9
88.42080	0.5
91.05477	7.1
93.07050	11.8
95.04989	2.6
95.08588	0.7
97.02883	0.8
97.06532	1.2
99.04457	1.3
103.05480	7.2
105.04537	1.1
105.07005	0.8
107.04982	0.8
109.10163	1.8
111.04477	0.6
117.05560	0.5
119.04887	0.6
121.06513	100.0
121.10155	1.8
122.06834	0.5
129.17802	0.5
137.05962	2.6
139.03902	0.6
139.11180	1.7
149.02364	1.3
149.09627	1.3
167.03391	1.3
167.10727	2.4
170.67601	0.5
181.06462	0.6
185.11722	0.8
241.09537	0.6
245.10278	1.3
301.11789	0.6
311.10098	0.5
329.11081	0.8
347.12433	4.2
347.16617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
69.66791	2.5
77.03941	0.5
91.05491	5.3
92.05852	0.5
93.07058	7.5
95.04977	1.4
97.21793	0.4
103.05473	6.9
104.05804	0.5
105.04545	0.5
107.04935	1.2
121.06515	100.0
122.06843	4.4
123.07059	1.3
125.59043	0.4
137.05988	1.7
152.05992	0.5
164.07089	5.1
165.07452	6.5
166.07635	4.5
167.08026	2.3
181.90932	0.4
193.84441	0.4
231.19569	0.4
272.72034	0.3
273.12073	0.8
347.09451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55392	0.2
51.02374	0.3
53.03949	1.7
53.51447	0.2
55.01881	1.3
56.24932	0.2
65.03923	0.2
70.34579	0.6
73.02915	0.5
74.70425	0.2
77.03923	0.6
79.05487	0.7
81.07069	0.2
87.04474	3.5
91.05485	6.9
93.07050	10.3
94.07343	0.2
95.04973	2.7
98.20874	0.2
103.05475	8.1
105.04524	0.9
107.04946	0.5
107.08592	0.2
109.31873	0.2
118.09367	0.2
119.04914	0.2
121.06513	100.0
122.06847	1.5
123.04467	1.0
123.06995	0.2
129.99094	0.2
135.04430	0.8
137.05986	0.6
149.05975	1.2
151.05919	0.2
153.05522	0.4
164.07101	0.7
165.07448	1.1
166.07689	0.6
167.06944	0.4
177.05508	1.1
195.06538	1.0
209.08084	2.9
227.09172	5.0
287.20111	0.3
312.03256	0.2
347.17023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1702
Annotation	Decapetaloside
Peak:m/z	Relative Intensity
53.03949	5.5
55.01866	5.3
55.05513	19.1
57.03429	8.4
61.02929	8.1
67.01813	2.4
67.05515	27.0
67.42346	2.9
69.03439	23.3
69.07068	7.0
71.05001	12.5
71.56509	2.6
79.05498	59.8
81.03425	5.5
81.07066	52.1
83.04998	21.7
83.08617	2.8
83.60932	2.6
85.02917	26.4
85.06550	9.9
91.05486	21.2
93.07056	31.9
93.31362	2.4
95.04967	4.0
95.08627	8.2
97.02902	11.8
97.10185	14.6
103.05451	2.6
105.07027	23.2
107.04967	4.0
107.08604	100.0
109.06517	23.7
109.10168	40.2
111.04462	10.6
119.08582	3.2
121.06516	22.6
121.10155	24.3
123.11711	3.6
125.05997	7.7
125.09637	76.1
127.03976	5.1
129.05479	16.8
131.08560	6.9
133.10129	26.1
137.05971	3.1
137.09624	40.8
138.19827	2.3
142.03250	2.6
144.02821	8.5
145.04991	3.8
149.09631	24.3
151.11203	32.5
155.10696	4.4
163.03960	2.8
164.01741	3.3
165.09142	19.0
167.10687	44.5
169.12260	11.8
172.02339	3.1
183.10202	2.3
185.11768	19.2
187.13271	16.2
215.12881	5.0
217.84523	2.5
219.01813	2.4
292.72827	2.8
304.26501	2.7
311.14841	4.4
329.15997	8.0
361.15103	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	347.1702
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
55.05509	6.2
57.03427	5.2
67.05502	4.7
69.03422	4.9
69.07083	11.3
69.35943	12.6
69.36352	4.3
69.65494	1.9
70.06587	2.7
75.04485	17.4
77.85675	2.4
79.05488	4.5
81.03400	2.5
81.03851	2.0
81.07055	14.2
83.04959	3.6
85.02448	2.0
85.02901	12.3
85.06551	23.1
87.73228	1.7
91.05486	9.0
93.07053	67.2
95.04978	2.8
95.08600	9.4
97.02881	3.5
97.06522	3.2
97.10166	5.8
98.21139	9.2
105.07025	6.7
107.08586	4.6
108.31448	2.0
109.02843	1.9
109.06599	2.3
109.10156	2.2
111.08083	20.5
115.59000	1.9
120.01098	1.7
121.06532	2.8
121.10150	62.5
127.03889	2.2
131.08540	2.1
137.05991	10.8
139.11165	8.4
145.04942	2.8
149.09644	9.8
150.62425	1.9
151.07574	6.2
153.06596	2.0
167.10698	45.4
185.11746	100.0
195.17628	1.9
295.74088	1.8
347.16525	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	347.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41660	0.9
53.03942	2.5
53.04352	0.8
55.01865	3.4
55.05505	2.6
57.03442	4.4
57.07069	1.5
59.05005	43.8
60.51205	0.7
61.02932	1.4
65.03923	0.9
67.05502	7.0
69.03432	13.3
69.07077	4.7
71.05000	10.0
73.02914	1.7
73.06554	1.1
79.05498	5.1
81.03408	2.0
81.07059	18.4
83.04967	3.2
83.08620	6.0
84.04501	3.8
85.02912	15.6
85.06548	5.9
87.04472	28.9
91.05482	9.4
93.07041	16.0
95.04964	3.9
95.08592	4.0
97.02284	1.2
97.02894	18.2
97.06545	15.4
98.20706	2.2
98.97578	1.3
99.08098	1.6
101.02361	2.3
103.05469	6.3
105.04509	1.2
105.07037	6.4
107.04971	0.9
107.08601	14.0
109.06515	5.6
109.10170	9.1
111.04459	0.8
111.08087	4.6
113.02371	2.9
113.06001	2.2
114.10249	1.5
115.03954	4.2
115.07561	0.9
119.08630	1.1
121.06511	79.7
121.10139	5.3
122.06851	1.5
123.08058	1.8
123.11710	12.4
125.02422	0.9
130.04965	1.6
133.10147	5.1
137.09653	2.6
139.11162	3.3
143.03400	3.2
145.04881	0.9
146.06000	1.1
149.09634	3.5
149.13301	4.6
151.11197	25.9
157.12302	1.7
161.04449	2.8
167.03395	0.9
167.10680	3.5
169.12250	100.0
185.11700	1.9
185.15440	1.6
187.13348	2.9
194.06940	1.0
201.11226	1.5
222.11287	1.8
229.44426	0.9
241.07623	0.8
280.08502	0.7
329.15726	1.9
347.13181	0.8
347.16989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31750	1.5
53.03938	3.3
55.01890	4.2
55.05502	3.1
57.03437	9.5
57.07067	1.8
59.04987	3.2
67.05507	10.0
69.03429	13.6
69.07060	4.9
69.75893	2.4
69.76308	7.9
71.01326	2.5
71.04997	38.2
72.08138	2.8
73.02920	11.4
78.23905	1.8
79.05499	17.1
81.03406	2.3
81.07063	88.0
83.04959	6.2
84.08149	3.5
85.02913	47.6
87.04459	5.8
91.05472	6.0
93.07035	11.2
95.04953	3.7
95.08607	6.4
97.02901	55.4
97.06516	4.7
98.21101	5.8
99.00804	4.5
99.04438	3.3
99.08105	4.2
101.02385	10.0
105.07036	4.4
107.08603	26.8
109.06525	7.4
109.10156	29.2
111.04485	2.4
111.08057	4.0
111.56402	2.1
113.02380	12.5
115.03950	15.1
119.08589	4.5
121.06506	18.0
121.10117	3.0
123.08080	2.2
123.11713	42.9
125.02325	3.6
129.01878	2.4
133.10121	7.1
137.09593	3.3
139.11166	6.4
141.12668	2.2
143.03397	17.1
149.09576	2.1
151.11189	69.3
153.12663	2.3
155.11836	3.3
157.12267	2.6
161.04498	9.9
167.10699	4.5
169.12245	100.0
172.70937	1.9
182.28763	2.1
187.13274	3.4
197.11723	1.9
201.11165	5.0
235.33060	2.0
347.12585	3.9
347.16769	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	347.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41138	0.6
53.03934	1.5
54.37595	0.6
55.01858	2.0
55.05495	2.5
57.03417	2.8
57.07064	1.4
58.96917	0.7
59.05004	38.4
61.02932	0.9
67.05504	5.2
69.03078	0.9
69.03432	12.8
69.07068	3.9
71.01340	0.6
71.04985	7.3
71.56533	0.9
73.02905	2.4
77.42252	0.7
79.05486	5.9
81.03436	0.9
81.07061	15.0
83.04993	1.4
83.08614	5.7
84.04506	3.4
84.08163	1.2
85.02914	11.9
85.06545	6.4
87.04472	28.8
91.05479	3.5
93.07051	10.2
95.04964	1.7
95.08592	2.9
97.02901	17.1
97.05916	0.9
97.06539	13.9
98.12603	0.7
98.88493	0.7
98.97573	0.8
101.02361	1.6
103.05463	3.2
105.07060	5.7
107.08601	9.7
109.06538	5.0
109.10162	8.0
109.10840	1.2
111.08057	4.9
111.25657	0.8
113.02332	2.0
113.05975	1.3
115.03953	3.8
115.07597	1.1
119.08587	1.5
121.05648	1.4
121.06512	28.9
121.10149	3.9
122.06802	0.7
123.08071	1.6
123.11716	13.4
125.02364	0.8
130.05005	0.9
131.08575	1.1
133.10143	5.5
137.09677	1.3
139.11159	3.2
143.03404	3.5
149.09608	2.6
149.13295	3.7
151.11192	24.4
157.12190	1.1
161.04462	2.5
165.09145	0.7
165.20079	0.7
165.21465	0.8
167.10681	2.1
167.31354	0.7
169.12250	100.0
176.37587	0.7
185.09943	0.7
185.11726	2.3
185.15453	0.8
187.13281	2.3
197.11748	0.9
201.11171	1.0
222.11154	1.0
264.13470	0.8
286.66708	0.8
329.15894	1.4
347.12421	0.9
347.17224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1701
Annotation	Decapetaloside
Peak:m/z	Relative Intensity
52.74832	2.9
52.75078	2.8
53.03942	4.7
54.47066	3.6
55.01867	5.9
55.05513	17.3
57.03425	7.4
61.02922	7.2
67.05514	21.8
69.03431	16.6
69.07060	4.3
71.04983	9.7
73.02908	3.3
79.05071	3.9
79.05501	51.8
81.03400	7.5
81.07067	51.4
83.04980	20.5
85.02914	23.4
85.06522	8.4
91.05487	17.4
93.07053	31.2
95.04996	5.2
95.08604	7.6
97.02885	11.1
97.10175	13.8
98.97571	2.9
99.04465	3.2
102.18549	3.3
102.33409	2.9
105.07029	12.2
107.04939	2.9
107.08601	100.0
109.06524	27.0
109.10165	22.0
111.04426	7.9
121.06509	16.9
121.10174	19.6
123.08059	3.4
125.09634	74.0
129.05475	11.5
131.08568	6.6
133.06538	4.1
133.10161	20.4
135.11673	3.5
137.09618	27.3
149.09612	28.6
151.11206	26.4
153.05484	5.2
155.10632	4.0
165.09128	12.3
167.10699	37.8
169.12242	10.2
170.06070	3.4
173.09714	3.3
185.11761	19.6
186.16029	3.2
187.11797	3.1
187.13223	14.6
329.11047	4.1
329.16013	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	347.2196
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05503	0.9
66.27023	0.4
67.05503	0.5
71.57082	0.6
77.56366	0.4
77.87789	0.4
79.05518	0.7
81.07053	1.1
81.76804	0.4
83.08631	1.2
88.07627	1.3
91.05492	0.5
93.07056	1.2
105.07045	0.8
107.08582	0.4
119.08624	1.1
121.06522	2.8
122.39106	0.4
126.85596	0.4
145.10178	0.7
151.14799	0.4
159.11697	0.6
229.12093	0.5
235.12991	0.7
265.14346	0.8
299.31564	0.8
347.21960	100.0
348.22189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82769	0.5
61.32977	0.5
67.05503	0.7
69.82962	1.4
69.83374	1.5
74.66928	0.5
79.05475	0.7
81.07032	0.6
86.34792	0.5
91.05452	0.8
93.07046	1.3
95.08630	0.7
98.20870	0.8
98.97556	0.5
105.07003	0.6
107.08595	0.6
109.10173	0.7
116.97223	1.1
121.06516	3.0
121.10141	0.6
123.73994	0.5
133.10124	1.2
134.51883	0.5
135.08064	1.1
139.98808	0.7
174.66278	0.5
235.13185	0.8
248.17703	0.7
249.14728	0.8
265.14191	0.7
347.21960	100.0
347.33420	1.5
348.22406	0.9
357.27737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00362	2.8
53.03952	6.4
55.01874	3.5
55.05508	3.8
56.05025	4.4
56.96562	19.0
57.03447	13.6
57.28706	2.7
58.09029	2.7
59.75727	2.5
60.04521	6.7
61.02933	13.1
66.34464	3.0
67.05512	5.1
69.03434	25.5
69.07058	2.6
70.06593	6.4
71.04979	8.5
71.57520	3.0
72.08165	4.6
73.02925	22.4
74.06072	5.0
77.39791	2.8
79.05503	5.7
81.03413	10.3
84.04510	9.7
84.08137	6.3
84.96023	9.5
85.02911	66.0
85.06509	2.8
86.09712	24.2
87.04453	8.4
88.04001	2.5
89.03926	24.1
91.05476	11.0
97.02899	27.1
98.97593	60.1
99.04453	8.3
101.07120	3.1
102.05514	3.6
107.04958	9.1
109.02873	6.3
110.97557	22.6
111.04369	2.9
112.02981	2.3
112.07597	10.0
112.99192	3.7
113.03515	3.5
115.03881	2.8
116.98634	20.3
117.03386	13.7
119.01820	4.2
119.04942	11.7
120.53136	2.3
122.06001	5.2
123.04431	39.7
124.99146	4.0
126.05556	3.3
126.86956	2.5
127.03925	11.8
128.98595	16.6
130.08629	10.1
130.09608	3.3
131.00128	3.2
131.04880	3.1
134.99670	3.4
135.04434	25.4
136.04724	2.5
136.05099	4.2
136.06187	59.6
137.05977	16.8
143.00140	9.9
143.01918	6.1
144.01967	7.3
145.01816	4.2
145.02769	17.1
145.04967	10.7
145.91438	2.7
146.99611	7.2
147.04422	3.3
150.05530	15.7
151.03897	9.2
151.07545	35.2
155.04666	2.8
156.03354	5.3
158.99664	17.1
161.01187	7.4
161.02948	5.8
162.03076	9.0
163.02559	5.9
163.03917	100.0
164.04198	6.9
167.07028	3.1
168.03436	2.8
168.06601	24.2
169.05020	13.5
170.99571	4.3
171.00842	4.1
173.12836	8.7
174.04355	4.8
176.55467	2.8
177.00716	13.4
181.08603	9.0
186.04367	7.7
186.11269	4.2
187.14420	4.0
189.00729	3.9
190.05011	3.7
191.03824	2.8
192.04752	4.2
193.01802	4.1
201.00568	4.5
201.12445	4.8
204.05540	3.8
205.03717	2.7
205.05481	3.4
211.02766	3.8
215.13914	2.7
218.98444	3.2
219.01767	41.8
227.06941	3.2
228.05446	6.9
237.02820	47.6
239.04356	3.3
253.03888	3.4
257.07819	3.4
265.05988	14.7
271.07593	3.3
282.08734	4.6
290.49210	2.5
309.08530	3.8
329.30435	2.8
330.11813	10.3
330.17358	6.2
341.05405	9.8
348.06793	5.1
359.06479	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	348.1442
Annotation	6alpha-Hydroxyundulatine
Peak:m/z	Relative Intensity
65.02068	0.7
65.03930	0.9
69.03415	1.1
70.06577	0.8
71.58154	1.1
79.05507	1.1
81.07061	3.6
83.04968	0.6
83.92071	0.6
84.04514	0.8
84.08142	1.3
85.02897	1.5
86.09699	1.1
91.05486	31.1
93.05759	1.0
93.07038	2.6
94.07355	0.8
95.04996	0.8
95.08560	0.7
103.05411	0.8
107.07335	5.3
108.08126	3.9
109.06506	2.2
115.96849	0.6
118.05710	1.2
118.06548	23.4
119.04952	17.5
120.04462	0.7
120.08085	0.6
121.06477	0.8
121.10150	2.2
122.06022	2.0
122.10496	0.7
128.04961	2.2
133.10266	0.7
134.06018	1.8
136.07588	23.5
137.05984	57.1
138.06316	1.5
139.11168	1.0
146.06018	17.1
148.03920	0.9
149.09624	0.8
150.10013	0.8
152.07097	1.3
153.05524	1.4
154.69905	0.7
162.05544	2.7
164.07904	0.9
166.04948	1.2
167.07071	0.7
168.10231	2.8
174.05510	21.5
180.06564	22.7
183.38193	0.6
185.11838	1.8
186.12048	2.1
212.09190	19.8
302.10080	0.8
307.22958	0.6
312.12521	0.8
316.11746	3.0
330.09778	1.0
348.11227	4.1
348.14444	100.0
349.14737	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53596	0.4
55.01869	0.6
56.02851	0.5
56.05031	0.7
57.03423	1.2
59.04992	0.5
59.62606	0.4
61.02919	1.5
65.03939	0.5
69.03438	3.3
69.07081	0.6
70.06586	1.3
70.81477	0.4
71.04987	0.4
71.57524	0.6
72.08153	0.7
73.02920	0.8
79.05495	0.8
81.03422	2.2
81.07060	1.4
84.08147	1.3
85.02911	17.9
85.06548	0.9
86.74632	0.4
91.03980	0.6
91.05486	11.0
93.07048	2.1
94.07361	1.7
95.05004	2.2
97.02896	4.8
98.10563	0.4
98.21012	0.5
99.04452	0.8
105.07048	0.7
106.61655	0.4
109.02873	1.5
111.04429	0.5
113.46400	0.4
115.89940	0.4
119.04953	13.7
121.06527	0.8
121.10159	1.2
122.10465	1.2
124.07608	1.3
127.03894	2.5
129.10249	0.7
133.85501	0.4
134.75467	0.4
136.05194	2.0
137.06004	1.7
145.04955	2.9
151.07556	100.0
152.07921	0.7
158.08205	0.6
163.06009	0.5
165.09157	1.2
166.08560	0.7
167.10706	0.4
168.11009	1.2
169.08623	15.6
175.07553	0.4
179.07030	0.4
180.08742	1.4
181.08612	0.6
182.64127	0.5
185.11760	1.2
186.12106	1.7
193.08618	1.1
217.08690	0.6
228.11603	0.5
235.09554	0.5
259.09619	0.9
277.10721	2.0
295.11856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32447	0.6
52.91557	0.4
57.03434	1.5
60.17672	0.5
60.24191	0.5
61.02922	1.6
69.03432	3.7
69.07072	1.0
69.88203	1.2
69.88615	1.6
70.06583	1.2
70.08028	0.5
73.02892	0.5
75.04466	0.7
81.03423	2.1
81.07072	0.7
84.08161	0.9
85.02425	1.0
85.02914	16.2
85.06546	0.8
86.09737	0.6
91.03958	0.7
91.05492	10.8
93.07043	2.0
93.66930	0.6
94.07404	1.5
95.04958	2.1
97.02402	0.5
97.02917	4.4
109.02885	1.5
111.08088	0.8
119.04102	0.9
119.04956	13.0
121.10124	1.5
122.10486	1.5
124.07586	2.1
127.03915	2.1
136.05237	1.8
137.06006	1.6
145.04955	2.5
151.07556	100.0
165.09068	1.3
166.08667	0.9
167.10661	1.0
168.11069	1.3
169.06503	0.8
169.06932	0.7
169.08609	15.7
180.08685	1.0
181.08755	0.9
185.11725	2.5
186.12241	3.0
193.08640	1.4
253.10023	0.5
259.09799	1.2
277.10721	1.3
295.11658	1.1
348.16110	0.9
373.06189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
54.14508	0.4
55.01855	0.9
56.96558	0.4
57.03427	1.6
59.04995	0.3
61.02937	2.5
67.03230	0.4
67.05511	0.5
69.03127	0.5
69.03438	4.6
70.06578	0.4
70.65398	0.4
71.04984	1.7
72.08138	0.7
73.02906	0.9
74.09713	1.2
79.05491	0.6
81.03410	2.2
83.04973	0.4
84.08155	0.9
85.02913	21.8
85.06534	1.1
86.09729	0.4
87.04462	1.1
91.03953	0.9
91.05491	11.9
95.04979	3.0
97.02901	5.1
98.97570	0.7
99.04447	1.0
105.07064	0.6
109.02884	2.1
119.04959	12.7
121.06509	1.0
123.04488	0.6
127.03925	3.8
131.04863	0.6
136.05211	1.5
136.06152	0.4
137.06001	1.7
145.04973	4.6
151.07555	100.0
152.07889	1.1
161.06006	0.8
163.03873	0.6
165.09135	1.8
169.08607	10.8
175.07379	0.5
180.08696	1.8
181.08604	0.9
181.95795	0.4
186.11270	0.6
189.09120	0.6
193.08687	2.2
217.08630	0.8
235.09741	0.6
259.09402	1.2
273.10825	1.3
274.11594	0.6
277.10703	2.4
295.11807	0.9
302.12979	4.4
348.13531	6.7
348.16977	0.5
349.08954	1.7
349.13083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01853	1.0
57.03436	1.0
61.02918	1.3
64.13909	0.5
69.03443	3.7
69.79375	0.9
69.79714	2.6
71.04972	1.0
73.02907	0.8
75.58884	0.4
81.03444	2.6
85.02913	17.4
87.04494	0.7
91.03941	1.1
91.04973	0.7
91.05493	11.3
95.04984	2.4
97.02901	5.2
97.81800	0.5
98.21517	0.7
99.04463	0.5
101.69543	0.5
109.02869	1.7
119.04958	11.4
127.03882	2.6
136.05212	1.4
137.06020	0.7
138.09038	0.5
139.11914	0.5
145.04979	5.5
151.07556	100.0
158.35736	0.5
163.06013	0.6
169.08623	9.9
170.33711	0.6
180.08640	1.7
193.08607	1.1
217.08504	0.6
277.10977	0.8
348.16876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05495	0.3
56.05043	0.4
58.82716	0.3
67.05511	1.0
68.05025	0.4
69.07057	0.6
69.45869	2.0
70.98959	0.2
77.08874	0.3
79.05502	1.3
81.04533	0.5
81.07065	2.1
82.05365	0.3
83.04996	0.4
83.06110	5.4
91.05476	1.7
93.04532	4.4
93.07056	3.4
94.08499	0.3
95.04971	0.6
95.06097	5.7
95.08616	0.7
98.20683	0.5
105.07030	2.2
107.08628	1.7
109.06534	2.4
109.10143	0.8
110.07172	100.0
111.05582	0.3
112.08733	0.8
113.25063	0.3
117.35176	0.3
119.08572	0.6
121.06521	0.5
121.10166	0.4
123.11783	0.3
131.08595	1.1
133.10139	3.6
138.06645	0.7
147.11707	0.5
149.09631	1.5
151.11203	5.1
152.08208	2.8
156.07700	40.3
169.12335	0.6
175.11253	0.5
178.08655	0.3
180.07698	1.2
193.12317	1.0
198.08838	0.6
272.14124	0.3
302.18625	6.5
330.18146	3.3
348.19205	46.7
349.19479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05495	0.3
56.05043	0.4
58.82716	0.3
67.05511	1.0
68.05025	0.4
69.07057	0.6
69.45869	2.0
70.98959	0.2
77.08874	0.3
79.05502	1.3
81.04533	0.5
81.07065	2.1
82.05365	0.3
83.04996	0.4
83.06110	5.4
91.05476	1.7
93.04532	4.4
93.07056	3.4
94.08499	0.3
95.04971	0.6
95.06097	5.7
95.08616	0.7
98.20683	0.5
105.07030	2.2
107.08628	1.7
109.06534	2.4
109.10143	0.8
110.07172	100.0
111.05582	0.3
112.08733	0.8
113.25063	0.3
117.35176	0.3
119.08572	0.6
121.06521	0.5
121.10166	0.4
123.11783	0.3
131.08595	1.1
133.10139	3.6
138.06645	0.7
147.11707	0.5
149.09631	1.5
151.11203	5.1
152.08208	2.8
156.07700	40.3
169.12335	0.6
175.11253	0.5
178.08655	0.3
180.07698	1.2
193.12317	1.0
198.08838	0.6
272.14124	0.3
302.18625	6.5
330.18146	3.3
348.19205	46.7
349.19479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.05508	7.9
55.23549	3.0
55.59003	4.1
57.03453	3.6
57.07062	3.8
60.04527	5.7
67.05499	11.4
69.03441	7.1
69.07076	6.2
71.05001	36.9
71.56154	3.7
78.99532	2.9
79.05505	20.1
81.07069	60.2
83.04975	5.9
85.02919	10.7
85.06557	25.5
87.04478	3.9
91.05487	15.2
93.07054	86.2
94.05209	3.1
94.07375	3.1
95.08630	26.7
97.02902	64.7
105.07042	11.5
107.08607	100.0
108.08919	7.7
109.10160	14.9
113.02392	5.3
115.03930	8.4
119.05090	3.5
119.08583	4.4
121.06500	15.5
126.09991	6.0
131.03606	3.2
133.10161	6.2
135.11707	88.4
137.13283	20.7
143.03435	7.3
143.14658	3.3
153.12744	22.0
156.07599	4.1
161.04454	10.7
161.51823	3.2
168.11031	3.8
254.71445	3.8
348.27231	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	348.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16768	1.4
59.04975	1.6
61.23749	1.4
69.07059	2.5
71.04998	13.6
73.06540	4.8
75.90392	1.2
79.05513	3.5
81.07069	20.0
91.05460	1.8
93.07052	15.1
95.08614	3.9
97.02909	3.3
107.08594	12.4
109.10165	3.6
119.08665	1.4
120.14686	1.4
121.06499	4.6
122.06821	1.5
135.11708	22.7
136.06174	4.2
153.12758	100.0
169.12184	1.3
187.57097	1.4
273.20798	1.7
299.86838	1.3
335.84091	1.4
348.20367	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	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05804	1.8
55.01865	2.9
55.05513	18.3
57.03422	8.3
58.45598	2.0
59.04995	2.4
67.05505	75.6
68.63970	2.0
69.03422	2.3
69.07079	11.6
69.37759	16.7
71.04974	3.7
71.08629	6.5
79.05495	14.9
81.03431	3.2
81.07061	37.6
83.04987	5.2
83.08624	15.4
85.06534	3.5
91.05484	14.9
93.07047	21.0
95.04986	2.3
95.08630	17.2
97.06564	2.4
97.10175	15.3
99.08083	8.0
101.75446	2.0
104.90994	2.2
105.07021	7.4
107.08617	13.1
109.10162	65.4
111.08098	4.2
111.50209	1.8
117.58314	2.3
119.08582	10.3
121.06498	12.2
121.10143	7.4
122.06843	6.6
123.08082	2.7
123.11726	4.1
125.09631	10.8
131.08524	4.7
133.10120	7.9
135.11679	6.2
137.09602	4.8
147.11728	2.7
149.13246	8.4
151.11209	4.1
155.10667	37.8
159.11668	4.8
161.13184	4.3
173.11745	100.0
175.14845	2.6
177.12788	3.2
179.14413	3.1
189.11224	16.4
190.14444	3.6
195.13835	19.2
213.14839	9.3
241.19527	2.6
249.21947	2.4
277.21655	31.0
295.22736	19.0
348.18460	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31121	0.4
53.03937	2.0
55.01859	0.6
55.05510	0.5
55.06568	0.4
56.96559	1.4
66.19708	0.5
67.05486	0.6
69.07066	0.6
70.52927	1.4
70.53272	0.6
79.05489	0.6
81.03409	0.5
81.07064	0.8
85.02908	0.9
85.42107	0.4
87.11131	0.4
91.05486	6.0
93.07045	10.0
95.04987	2.1
97.02894	0.6
98.97576	0.5
103.05473	7.7
105.04514	0.9
105.07008	0.6
115.05486	0.4
117.07025	0.4
121.06511	100.0
122.06859	1.0
125.02353	3.3
133.10124	0.6
145.10132	0.5
159.11694	0.6
163.94443	0.4
168.93079	0.4
209.49585	0.5
211.06032	2.7
235.82477	0.4
303.04089	0.6
349.19833	3.3
349.23807	1.2
356.00864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
56.96556	1.7
57.03413	0.9
58.65132	0.4
61.02918	1.4
69.03426	2.8
69.39802	0.4
69.43401	1.7
69.43828	1.8
70.06578	0.7
71.05011	0.5
79.05475	0.6
81.03403	1.3
85.02919	5.9
85.06532	0.6
86.03236	0.5
87.04471	0.7
91.03954	0.9
91.05480	0.9
97.02889	3.0
98.97589	4.7
99.04456	0.6
103.05468	1.1
107.04984	0.6
109.02873	0.7
110.97562	1.9
116.98630	1.2
119.04942	0.7
127.03903	1.9
128.98613	1.3
131.00143	0.6
131.04907	2.7
137.05966	1.1
144.08072	0.5
145.02884	0.4
145.04984	1.1
146.99661	0.5
151.03912	0.7
151.07590	1.1
152.07887	0.7
156.08041	0.7
158.99615	0.5
161.05986	0.5
163.03874	2.0
163.07562	0.9
167.03441	0.8
167.07019	1.0
170.99638	0.5
187.09425	7.5
219.01776	3.2
219.07042	0.5
229.09482	0.6
237.02766	3.4
332.11496	0.6
334.53098	0.7
349.14676	100.0
350.15228	0.8
355.06830	2.3
373.08163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1497
Annotation	Phyllaemblic acid B
Peak:m/z	Relative Intensity
51.07958	1.6
55.01869	5.6
55.05262	2.8
55.05518	40.7
57.03437	3.1
59.05006	17.1
61.84872	1.3
63.40523	1.3
64.52316	1.7
67.05509	8.8
69.03440	14.2
69.07074	21.6
69.67396	8.3
71.04987	5.3
79.05504	2.7
81.07065	11.8
83.04985	5.2
83.08628	100.0
85.02911	10.4
85.06544	5.4
87.04482	9.5
87.08107	2.8
91.05470	3.9
93.07062	7.9
95.04989	9.8
95.06107	2.2
95.08607	3.5
97.02885	5.8
97.06547	12.7
102.43037	1.4
105.07039	3.2
107.08601	5.6
109.02899	2.0
109.06499	5.2
109.10170	9.4
111.04450	16.6
111.08088	31.7
121.06520	5.3
121.10125	2.2
123.11734	8.0
127.03975	2.8
129.05493	4.5
129.09116	5.0
133.10173	4.0
139.03909	8.5
139.07530	4.4
139.11168	4.2
145.04987	2.5
151.11191	18.2
157.05003	3.5
157.08615	42.8
157.12289	1.6
169.12250	68.2
169.80647	1.3
175.09669	75.6
187.13339	7.9
193.12373	1.6
267.12323	4.0
275.98730	1.6
313.12836	24.8
327.73328	1.4
331.13931	14.2
331.17590	2.3
358.60385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01865	0.6
58.59864	0.3
64.24105	0.3
69.03445	0.3
69.28175	3.2
77.03930	0.4
78.07977	0.3
78.50472	0.3
79.05486	0.4
81.07059	0.3
91.04965	0.6
91.05491	6.9
93.07055	9.3
95.04980	1.8
103.05473	6.5
105.04571	0.6
109.06535	0.8
121.06518	100.0
122.06818	0.6
137.05969	0.7
139.07582	0.8
155.07031	0.9
169.08623	3.5
201.44057	0.3
211.09724	0.6
229.10748	0.8
309.67017	0.4
349.13889	0.5
349.18228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.7
56.96302	4.0
56.96568	51.5
60.49952	1.8
67.05491	3.3
69.07047	4.2
71.58121	2.5
71.58481	2.7
71.95244	8.8
72.96034	4.0
79.05481	5.7
81.07040	7.6
83.04964	1.9
84.96012	4.0
86.55212	1.9
91.05463	5.9
93.07004	3.3
95.04964	1.8
95.08609	4.4
97.02886	3.2
98.97612	3.0
105.07024	3.2
107.08578	3.7
109.10159	3.4
110.97594	5.0
114.05545	2.3
115.00687	3.2
119.01740	2.6
119.08573	2.4
121.10056	2.6
123.08125	2.2
123.11694	2.0
128.98598	4.9
131.08524	2.3
134.99559	2.2
135.11610	2.3
136.63742	2.0
137.02774	4.1
145.02849	6.5
145.10144	2.3
155.03828	2.4
156.06554	2.2
159.11737	2.1
161.85945	2.3
171.03249	4.4
173.04890	3.6
177.05513	7.9
181.05263	3.4
183.06854	3.2
185.04796	5.5
195.06880	3.9
199.06441	16.5
201.07944	5.3
203.05913	4.5
211.06409	8.9
213.07991	42.7
217.07498	12.8
219.09044	3.1
225.08060	5.6
227.09625	4.0
229.07507	69.5
231.09061	35.1
236.09531	4.7
243.09084	22.6
247.08540	39.9
252.08994	12.3
255.09158	2.9
261.10117	11.8
266.10638	4.4
267.08923	3.0
269.10617	6.7
273.10107	2.4
275.20044	6.0
285.10162	5.0
331.15802	13.9
349.16840	100.0
349.23938	4.4
349.27768	5.2
350.12421	3.9
350.17416	2.2
367.17813	21.9
372.18350	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	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01876	5.5
55.05516	14.1
56.96572	9.3
57.03447	12.1
57.07080	2.8
60.95854	2.6
65.03950	1.3
67.05508	27.9
67.31707	0.7
69.03425	2.2
69.07074	17.2
69.07456	1.0
70.48592	2.8
71.05000	2.1
71.95272	1.8
79.05502	22.9
81.03405	1.7
81.07064	35.1
83.04986	7.0
83.08635	6.1
85.06545	2.4
91.05486	23.0
93.07053	31.4
95.04977	8.6
95.08617	20.7
97.06538	5.0
97.10178	2.5
98.20765	0.7
98.97608	1.1
101.98524	1.0
103.05462	1.8
105.04533	1.2
105.07037	26.8
107.04963	9.2
107.08599	19.6
109.06532	11.8
109.10163	10.3
110.97543	1.2
111.08085	2.2
112.41088	0.8
115.05443	0.9
117.07030	10.0
119.08588	16.7
121.05651	1.3
121.06524	24.2
121.10159	10.1
123.08090	5.7
123.11684	3.8
125.09662	1.7
128.98640	1.1
129.07039	2.6
130.07814	0.9
131.08582	18.1
133.06506	3.3
133.10135	18.3
135.08087	6.2
135.11725	5.5
137.05966	1.4
137.09608	2.6
141.06995	1.7
143.08580	3.8
145.06517	1.8
145.10135	15.5
146.99643	1.0
147.08031	3.5
147.11694	14.1
149.09645	6.9
149.13278	3.7
150.10199	0.7
151.11191	5.9
155.08615	1.4
157.09053	0.8
157.10109	3.8
159.08072	2.6
159.11711	9.0
161.09605	4.1
161.13245	3.7
163.11206	6.6
163.14862	1.1
163.96782	0.8
165.12862	1.3
169.01793	0.7
169.10126	1.7
171.03412	0.9
171.11754	3.5
173.09653	3.7
173.13271	7.0
175.11221	3.7
177.12749	3.2
179.14362	2.3
183.11720	2.5
185.04892	2.1
185.13332	1.5
187.11238	1.9
187.14822	1.5
189.12785	1.6
191.14334	3.0
197.13249	1.8
199.06458	1.8
199.14920	1.2
201.12776	3.3
203.05942	1.1
205.07478	0.9
207.13826	3.2
211.06485	1.0
213.08043	2.0
213.16481	1.0
215.14334	1.9
215.18059	1.6
219.13879	3.5
223.06456	0.9
229.07428	0.8
229.19447	3.6
231.09048	1.5
231.17229	0.9
233.19080	1.2
239.17964	3.5
243.08984	1.5
247.20683	4.4
251.09563	1.3
254.94658	0.9
255.09038	2.9
257.19037	16.6
267.08997	4.9
269.10590	5.6
273.10101	1.1
275.20081	100.0
276.20392	1.2
285.10065	4.9
287.16937	0.9
290.10306	0.8
292.12292	1.2
293.21091	10.4
316.68607	0.9
317.18710	0.8
331.15768	3.2
331.22571	0.9
349.16983	19.6
349.23743	46.9
367.18088	4.1
372.18466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1858
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
53.03940	4.0
55.01864	2.5
55.05510	3.2
57.03436	8.2
57.07071	1.5
57.11433	1.0
59.05006	2.5
61.02931	8.6
61.03233	1.6
63.29318	1.2
67.05517	5.8
69.03434	20.8
69.07063	8.1
69.90383	1.2
71.05000	35.3
73.02922	3.9
79.05494	9.5
81.03420	10.1
81.07061	65.7
83.01334	1.4
83.04982	4.3
85.02908	80.1
85.06541	1.9
87.04460	2.0
89.06027	1.5
91.03961	3.6
93.07046	5.6
95.08619	2.4
97.02899	19.8
97.06539	6.5
97.10155	1.0
99.04446	5.3
99.08099	3.3
99.22610	1.2
105.07029	2.4
107.08590	15.1
109.02874	6.8
109.06537	3.1
109.10159	21.9
111.08092	3.1
111.11729	4.3
115.03973	1.1
121.10161	2.3
123.08109	1.8
123.11711	36.7
127.03920	16.1
127.07608	1.4
133.10156	5.8
139.11188	9.3
141.12746	1.7
145.04964	12.5
151.11191	48.6
157.12259	9.3
169.12248	100.0
170.12567	1.2
187.13315	33.9
187.15001	2.3
243.12263	1.6
313.26108	1.1
349.18600	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	349.1859
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
55.01859	5.4
55.05513	22.0
57.03437	1.9
57.07051	1.6
59.05005	23.9
61.02933	2.3
67.05509	9.5
69.03133	1.4
69.03439	18.9
69.07076	18.5
70.72739	2.6
71.05001	8.1
71.64691	1.4
75.24171	1.4
79.05499	4.7
81.03412	3.1
81.07059	15.0
83.04981	3.7
83.08628	58.8
85.02920	15.5
85.06568	7.0
87.03996	1.6
87.04472	15.6
87.08073	1.9
91.05485	9.0
93.03423	2.2
93.07071	9.1
95.04956	5.8
95.08628	3.5
97.02909	7.0
97.06535	21.4
99.08078	3.2
105.07046	7.3
107.08602	10.9
109.02892	1.8
109.06524	7.0
109.10162	13.1
111.04488	7.6
111.08090	27.7
115.07579	2.7
121.06499	5.2
121.10142	3.2
123.11713	16.0
127.03953	3.0
129.05460	1.5
129.09097	5.3
133.10132	13.1
139.03943	3.4
139.07520	3.9
139.11171	3.4
145.04939	2.2
151.11195	35.2
157.04977	2.9
157.08609	23.4
157.12210	3.6
163.03949	1.6
169.12257	100.0
171.13889	1.6
175.09686	39.1
187.13298	14.7
246.98599	1.4
253.09669	2.5
313.12918	13.0
331.13791	7.2
369.80621	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1858
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.05520	3.8
59.43695	1.1
67.05513	14.8
69.03436	1.3
69.07053	3.3
71.04992	2.6
71.07835	1.4
79.05504	6.3
81.07067	13.9
83.04975	3.6
85.02876	1.2
85.06583	1.1
91.05491	20.7
91.06022	2.2
93.07056	7.4
95.04961	1.8
95.08619	2.6
97.06518	1.8
104.90059	1.1
105.07036	24.7
107.02842	1.2
107.08606	26.5
109.06556	1.8
109.10165	42.3
121.06548	1.9
121.14063	1.2
123.11695	6.4
133.10141	93.1
151.11194	100.0
169.12257	40.8
170.12569	1.3
178.02649	1.2
187.13278	16.6
195.83453	1.4
205.27071	1.1
369.72360	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1858
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
50.30268	1.8
55.05511	3.6
57.07044	2.1
57.56554	1.8
57.56957	2.2
59.04998	3.6
67.05515	28.2
69.03439	2.8
69.07076	6.9
70.72559	6.3
71.05006	30.5
79.05492	6.6
81.07059	31.4
83.05003	3.7
85.02927	3.7
85.06548	42.2
87.04533	2.8
91.05491	22.0
93.04548	2.1
93.07056	19.8
95.06096	2.9
95.08604	5.7
105.07046	30.4
107.08607	23.0
109.06532	5.2
109.10173	41.1
110.07182	45.6
111.06859	3.3
111.07458	13.2
111.08113	9.2
111.85979	2.0
121.10154	2.0
123.11721	11.0
133.10146	94.1
134.10588	2.4
145.26297	2.1
151.11200	100.0
156.07697	16.9
157.08101	4.4
169.12268	56.9
187.13324	95.3
232.90866	2.0
303.18756	3.8
333.17279	2.2
349.19516	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	349.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.05510	13.5
57.03437	1.9
65.03931	1.2
67.05508	20.5
69.03441	3.0
69.07072	7.7
69.14137	1.1
70.06580	1.9
70.12415	1.0
70.75748	1.1
71.05000	7.1
71.06902	1.0
71.07239	2.4
79.05493	9.6
81.07063	22.5
82.06583	2.7
83.04985	8.2
83.08620	7.3
85.02900	3.8
85.06535	3.5
91.05485	23.5
93.07047	14.7
95.04955	2.3
95.08623	2.7
99.04427	1.5
100.07619	2.8
100.11263	36.1
101.06036	1.2
103.05452	1.6
104.47379	1.0
105.07035	32.0
107.08598	34.3
109.02866	3.3
109.06512	3.1
109.10164	50.8
110.06023	1.8
110.07162	8.7
111.04453	5.4
111.07470	2.2
112.07620	1.7
113.05978	1.6
117.13920	1.8
121.06509	10.4
123.11755	9.3
127.07553	2.2
128.07076	2.5
131.08600	1.7
133.10139	99.8
134.10388	1.6
137.06017	1.6
141.11435	1.5
151.11194	100.0
152.11516	1.5
156.07745	2.9
157.08017	1.5
163.04095	1.0
163.06018	1.0
163.07669	0.9
169.12256	14.2
182.15421	9.1
187.13274	19.3
199.18036	1.2
209.16505	5.8
210.14938	12.7
213.17796	5.3
214.41205	1.1
217.21315	1.1
227.17549	11.5
245.18520	2.1
276.72803	20.2
277.22968	3.7
326.27963	1.8
340.26035	8.8
340.76196	1.5
343.30725	12.1
349.19754	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
56.96566	3.0
57.03436	0.6
67.05493	2.0
69.03408	1.5
69.07069	1.2
71.05013	0.6
71.57214	0.7
74.56077	0.5
79.05476	2.2
81.07060	3.2
81.07462	0.6
85.02895	1.8
91.05489	1.9
93.07044	2.7
95.04955	0.8
95.08636	1.3
97.02909	1.0
97.85421	0.5
98.97583	2.1
104.62876	0.6
105.07024	3.5
107.08598	2.2
109.06504	0.9
109.10159	1.2
115.54116	0.6
116.98526	0.6
117.07027	1.0
119.08594	1.7
121.06513	4.0
121.10148	0.9
127.03934	0.7
128.14285	0.5
128.98608	0.5
131.08560	1.4
132.71141	0.5
133.10126	1.6
137.05804	1.0
145.10124	1.6
147.11737	0.8
149.13364	0.6
157.10197	1.1
159.11703	1.8
163.03943	0.7
173.13339	0.6
187.11115	0.7
219.01784	0.6
221.11423	0.5
253.12869	0.9
257.19070	1.2
261.14670	2.5
262.94067	0.6
275.20093	2.3
331.18790	0.7
331.81604	0.5
349.19879	100.0
350.20023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.8
52.87294	3.0
53.03942	8.2
55.01866	10.2
55.05519	21.2
55.48063	3.1
56.96584	3.4
57.03444	41.1
57.07072	4.9
59.05008	3.4
60.35461	3.2
63.65923	3.4
67.05508	74.0
69.03450	4.3
69.07068	36.6
71.04996	4.8
71.57024	4.6
79.05056	5.1
79.05499	61.2
81.03415	13.1
81.07056	70.1
83.04978	13.0
83.08610	15.2
85.02929	3.3
85.06541	10.7
88.53326	2.8
91.05479	71.0
93.07050	60.7
95.01334	7.5
95.04975	16.3
95.08605	54.2
97.06538	12.0
97.10192	6.5
98.97589	3.3
99.04453	7.4
102.94242	3.5
103.05442	3.5
105.07038	67.9
107.04955	22.5
107.08603	38.2
109.06512	23.8
109.10155	22.7
111.08112	6.1
117.07031	15.6
119.08591	48.6
121.06513	14.4
121.10136	27.1
123.08112	16.9
123.11734	4.2
125.09641	3.6
129.07007	5.4
130.06491	4.5
131.08563	37.3
133.10129	36.6
135.08078	10.7
135.11722	15.5
137.09634	5.3
138.82117	3.2
143.08522	5.3
145.01758	3.8
145.06503	3.0
145.10149	28.6
147.11676	16.3
149.09624	7.2
149.13249	8.0
151.11182	3.7
155.08665	3.2
157.10121	4.1
159.11713	22.6
161.09602	3.8
161.13281	11.0
169.10176	4.7
171.11790	6.0
173.13266	9.5
175.11252	5.4
175.14812	4.7
177.12718	4.5
179.14314	15.6
185.13362	6.6
187.11113	3.6
197.13353	4.5
201.16249	4.7
203.14325	4.6
205.06689	3.4
206.08095	6.7
207.08380	6.1
219.17438	100.0
222.07787	3.8
247.20670	4.5
250.07137	16.4
251.07439	41.2
257.19113	6.1
275.20087	62.3
319.00641	3.9
349.18399	64.2
349.23581	76.6
349.27582	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.01865	15.8
55.05516	47.6
56.96560	5.5
57.03429	16.5
65.03941	3.2
67.05511	65.9
69.03406	4.5
69.07073	27.6
70.55217	9.9
71.04969	4.8
75.96992	3.5
77.94904	3.3
79.05496	100.0
79.05961	5.0
81.03426	8.3
81.07066	47.0
83.04988	30.3
83.08625	19.8
85.06532	5.2
91.05485	50.1
93.07059	68.6
95.01301	6.9
95.04977	13.5
95.08620	38.6
97.06539	12.0
97.10166	13.8
98.20862	4.6
105.07041	49.0
107.04967	26.1
107.08603	60.3
109.06506	11.1
109.10173	27.3
116.61028	3.5
117.07054	19.5
119.08595	33.0
121.06516	7.0
121.10142	30.5
123.08044	10.2
125.09633	16.0
129.06993	4.0
131.08585	21.8
133.10132	42.4
135.08038	7.7
135.11697	8.3
135.36588	3.2
137.31183	3.3
145.10127	22.1
147.11699	19.2
149.09650	58.8
149.13287	6.4
149.32550	3.7
153.12737	4.1
157.10233	4.8
159.11685	14.8
160.01424	3.4
161.13246	8.5
163.11195	8.8
163.14809	4.5
169.10143	3.6
169.12238	5.8
171.11719	4.9
173.11807	7.6
173.13200	5.6
177.12653	3.8
179.14313	7.1
189.11234	7.0
191.14360	4.8
199.02789	3.4
209.15488	5.4
229.19412	5.7
247.20598	6.1
257.18945	10.6
272.95874	4.2
274.65210	3.8
275.20074	68.0
300.08127	4.3
349.19925	7.7
349.23764	64.3
349.28040	8.6
349.33926	4.7
350.23413	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	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01878	4.3
55.05515	14.4
56.96570	10.6
57.03443	14.1
57.07077	2.3
65.03959	1.9
67.05511	27.5
69.03438	2.0
69.07073	18.5
70.14539	0.7
70.45792	2.4
71.05007	2.0
71.95285	1.3
72.96043	0.9
79.05499	23.6
81.07063	33.0
83.04985	8.1
83.08614	6.1
85.06549	1.8
91.05489	23.9
93.07055	31.7
95.04976	9.3
95.08613	19.3
97.06539	4.2
97.10173	2.8
98.21066	1.4
98.97604	1.5
99.08091	0.9
103.05487	1.2
105.07038	26.3
107.04963	8.6
107.08604	19.6
107.09293	1.4
109.06530	12.7
109.10177	9.1
110.97601	2.1
111.08093	2.6
115.05419	1.0
117.07020	9.2
119.08595	16.0
121.06512	13.0
121.10152	9.5
123.04489	0.8
123.08065	5.4
123.11731	3.6
125.09646	1.3
128.06203	0.9
128.98645	0.9
129.07050	3.3
131.08577	16.8
133.06509	3.8
133.09258	0.6
133.10135	15.8
135.08090	4.9
135.11700	7.9
137.09679	3.4
139.07516	0.7
141.07010	1.1
143.08569	2.3
144.09346	1.0
145.06506	2.1
145.10129	12.8
147.08054	4.0
147.11707	11.2
149.09636	6.5
149.13278	3.2
151.11172	6.1
155.08580	2.1
157.10173	3.8
159.08121	2.1
159.11705	8.8
161.09621	3.5
161.13271	2.9
163.11189	7.5
163.14874	1.1
165.12787	1.1
167.10637	0.7
169.10197	2.1
171.11682	1.6
173.09654	3.1
173.13257	5.7
175.11209	3.6
175.14886	1.2
177.12778	3.0
183.11745	2.3
185.04886	1.9
185.13176	1.1
187.11253	2.4
187.14830	1.8
189.04308	0.8
189.12823	2.0
191.14294	2.5
195.06993	1.3
197.13315	1.7
199.06427	3.9
201.12764	3.1
201.16402	0.8
203.06064	1.0
205.11964	0.7
207.13876	3.4
211.06404	1.7
211.15079	0.9
213.07986	6.2
213.16415	1.2
215.14297	0.8
215.17938	3.0
217.07541	1.7
219.13823	4.9
229.07491	11.4
229.19563	3.1
231.09013	5.1
231.17450	0.9
233.15402	0.8
233.18990	1.4
236.09576	1.0
239.09721	0.8
239.18007	4.4
243.09120	3.2
247.08652	4.7
247.20628	3.2
252.08994	1.2
255.09065	1.5
257.19031	16.7
261.10104	1.3
267.09109	1.7
269.10562	3.8
275.20081	100.0
276.20425	2.1
285.10052	2.0
293.21182	9.1
331.15613	3.5
349.17026	19.9
349.23721	48.8
367.17972	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2377
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03953	6.5
55.01876	19.1
55.05516	50.7
56.96585	1.9
57.03444	15.4
57.07069	2.7
59.05007	1.5
60.11654	1.2
65.03928	2.6
67.05511	58.9
67.05875	2.8
69.03427	3.1
69.07075	18.8
69.77022	3.3
69.77412	3.3
69.90294	1.4
71.04988	5.8
79.05500	100.0
81.03410	4.6
81.07062	45.3
83.04992	24.0
83.08624	11.9
85.06521	2.7
89.82956	1.2
91.05486	43.1
93.07052	59.9
95.04977	13.8
95.08617	26.2
97.06544	20.3
97.10172	15.5
98.21397	2.0
103.05473	1.3
105.04512	1.9
105.07040	43.0
107.04963	23.3
107.08602	59.4
109.06522	7.6
109.10165	26.3
111.08099	5.3
113.74583	1.2
117.07021	15.5
119.08592	32.5
121.06522	6.4
121.10149	23.2
123.08093	7.6
123.11708	5.5
125.09644	16.7
129.07002	2.7
131.08566	17.0
133.06506	1.5
133.10141	27.9
135.08064	8.8
135.11684	7.1
137.09612	4.0
139.07538	1.7
143.08551	3.7
145.10139	16.8
145.43112	1.5
147.08041	1.7
147.11697	21.1
149.09636	49.4
149.13251	3.0
151.07611	1.9
151.11256	3.0
153.09117	2.3
155.08548	1.5
155.10713	1.7
157.10158	4.1
159.11690	13.4
161.13280	7.5
163.11194	4.8
163.14853	4.0
169.12239	4.5
171.10205	2.8
171.11700	4.6
173.11749	5.4
173.13289	7.6
177.12782	2.6
179.10846	1.7
179.14322	7.9
183.11752	2.3
187.11139	2.0
187.14845	2.6
189.11246	8.5
191.14348	2.6
197.13275	3.5
205.12274	1.5
209.15376	4.5
213.78497	1.4
229.19560	6.1
233.15387	3.1
239.17958	3.1
247.20601	5.3
257.19046	13.6
268.10828	1.2
275.20081	72.2
285.48724	1.2
291.76498	1.3
293.21289	1.5
349.17404	2.9
349.23724	67.7
349.27417	7.2
350.23853	1.7
358.69760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.1
55.05509	14.4
57.07073	6.2
61.61179	3.5
61.84552	3.0
65.03938	3.7
67.05511	39.7
69.07075	21.9
69.44060	12.7
69.44489	14.4
79.05507	29.0
81.07057	53.2
90.65050	3.4
91.05493	48.4
92.71814	3.2
93.07051	59.8
95.04978	23.5
95.08611	100.0
97.06525	8.9
103.05479	4.6
105.07034	93.0
107.08611	39.6
107.37938	3.5
109.06527	8.7
109.10168	37.3
115.05472	4.3
117.07012	14.2
119.08598	67.5
121.06516	7.3
121.10161	91.3
123.08079	11.2
123.11712	56.4
125.06048	3.4
128.06256	10.8
129.07004	20.0
130.07765	7.9
131.08585	39.8
133.10153	41.1
135.08067	12.2
135.11703	9.6
141.07014	6.8
142.07779	17.6
143.08585	37.4
144.09344	14.0
145.10124	40.3
147.08040	16.0
147.11714	27.8
149.13260	5.3
155.08574	15.1
156.09363	15.0
157.10159	54.4
158.10924	4.2
159.08067	5.4
159.11736	17.6
161.09625	10.3
161.13254	9.3
164.58784	3.5
165.06941	3.8
166.07666	4.1
167.08603	5.9
168.09322	4.9
169.10069	22.1
170.10878	9.0
171.11723	26.0
173.09622	5.0
173.13329	10.3
175.14806	9.7
179.08638	13.4
179.14322	12.0
180.09349	6.7
181.10159	14.3
182.11008	6.1
183.11674	16.0
185.09593	5.1
185.13251	17.4
187.11336	5.5
187.14825	20.8
194.10966	6.4
195.11729	16.1
196.12483	8.2
197.13304	19.4
199.11243	4.0
199.14819	10.2
200.15741	5.1
201.16498	7.2
206.10985	3.6
207.11717	5.4
209.13196	30.4
211.14789	7.9
213.12653	4.9
213.16402	7.7
221.13274	3.9
223.14923	5.9
227.14282	29.4
235.14809	4.5
239.17943	7.5
253.19608	3.5
258.09378	3.6
260.15521	3.4
275.20154	4.7
286.00305	4.6
293.18958	7.5
349.24631	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.55779	0.6
51.60175	0.6
55.05510	4.2
63.72575	0.5
67.05501	4.4
69.06740	0.6
69.07072	9.5
70.82130	1.3
70.82508	1.2
71.04966	1.3
75.70998	0.6
79.05478	2.5
81.07056	8.1
83.08624	3.9
85.06539	1.1
91.05454	1.9
93.07053	5.0
95.08607	6.0
97.06532	1.5
105.07024	2.3
107.08582	4.9
109.06528	9.9
109.10166	3.6
111.08059	2.4
117.07022	0.7
119.08566	2.6
121.10133	3.8
123.08073	59.9
123.11704	1.9
133.10114	2.1
133.54323	0.6
134.16888	0.6
135.08051	4.6
135.11751	1.5
137.09634	3.7
145.10132	1.0
147.11693	1.6
149.09596	1.1
149.13246	2.4
159.11710	1.2
161.13269	1.3
163.11160	0.7
165.12730	0.8
169.19781	0.6
177.12791	0.8
179.14326	7.5
275.20013	1.0
293.21106	16.6
307.22778	0.9
317.95108	0.7
331.26443	1.4
349.27383	100.0
350.27737	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05516	3.4
57.07083	2.0
67.05511	3.3
69.06718	0.5
69.07076	6.1
71.04991	1.0
71.08632	0.9
71.27407	0.8
74.15272	0.5
79.05502	2.7
81.07063	7.5
83.04967	0.5
83.08624	2.6
85.06537	1.1
91.05492	1.2
93.07055	3.1
95.08611	5.3
97.06557	1.1
97.10151	0.7
99.08101	0.7
105.07047	2.5
107.08607	4.3
109.06532	11.3
109.10170	2.4
111.08093	1.2
117.07014	0.6
117.34938	0.4
119.08578	2.9
121.10146	2.2
122.07327	1.0
123.01969	0.4
123.08080	44.4
123.11720	1.1
125.09604	0.8
131.08621	0.7
133.10185	2.0
135.08055	3.2
135.11717	1.3
137.09659	2.1
145.10117	0.8
147.05054	0.4
147.11693	1.1
149.09607	1.1
149.13263	1.3
151.11148	0.7
159.11676	0.9
161.13283	1.0
165.12817	0.9
167.14401	0.5
173.13280	0.7
176.45160	0.4
177.12662	0.6
179.14328	43.6
193.15874	1.0
266.14206	0.4
275.20123	1.4
287.28845	0.5
289.25470	0.5
293.21118	10.2
303.26715	0.8
329.80341	0.4
331.26358	3.6
349.27402	100.0
350.27740	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.53383	0.7
55.05512	3.3
57.07070	3.6
60.82348	0.7
67.05511	4.0
69.07069	4.6
69.28966	6.4
71.04987	0.8
71.08609	2.4
71.48897	0.6
79.05486	2.7
81.07060	8.1
83.04996	0.9
83.08616	2.0
85.06525	1.8
91.05482	2.2
93.07029	4.3
95.04982	1.0
95.08609	7.8
99.08099	0.9
105.07018	2.9
107.08607	4.5
109.06522	16.2
109.10139	3.0
119.08566	2.5
121.10148	2.6
122.07293	1.6
123.08069	40.4
123.11669	1.6
130.06232	0.8
131.08562	0.9
133.10136	1.9
135.08000	3.5
135.11685	1.8
137.09639	1.6
145.10161	1.6
147.11661	1.4
149.13309	0.7
151.11230	0.8
159.11711	0.9
161.13181	0.9
163.03922	0.7
179.14314	68.0
193.15900	1.6
245.90392	0.7
275.19888	0.8
293.21097	5.0
295.99481	0.7
331.26282	1.9
349.27380	100.0
350.27649	1.1
357.35889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
56.05040	0.5
57.72253	0.5
59.81332	0.4
60.04511	1.8
68.05032	3.4
69.03417	2.3
69.54066	3.2
79.05467	0.6
81.07051	0.6
84.04498	2.2
86.06073	0.9
89.03923	5.1
91.05472	1.7
93.07027	0.7
95.04943	0.5
95.08583	0.6
96.04493	9.1
97.02895	23.6
97.39444	0.4
98.97583	1.1
110.06022	1.1
114.04723	0.8
114.05531	19.9
117.03387	21.8
118.03732	0.4
118.38561	0.4
119.04932	0.6
121.06557	0.7
128.07088	0.7
134.03621	1.2
135.04431	1.0
135.21257	0.5
137.05962	0.9
138.05501	16.3
145.02853	59.5
146.03175	1.1
147.04424	0.7
149.05995	6.5
156.06555	6.3
163.03909	1.0
174.07690	0.6
177.05479	100.0
178.05835	2.1
186.05544	1.1
189.05444	0.6
207.06552	0.7
264.05722	0.6
264.55847	0.5
291.03882	0.7
307.46271	0.5
350.12350	35.7
351.12213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.6
56.96554	2.7
60.04521	1.5
67.05500	2.0
68.05023	4.2
69.03421	1.9
69.07056	1.3
69.79369	2.2
69.79783	1.7
79.05496	1.4
81.07038	2.8
84.04482	1.4
86.06064	1.7
89.03937	5.6
91.05499	4.4
93.07033	2.4
95.08586	2.6
96.04491	9.5
97.02298	1.4
97.02896	25.0
98.97590	3.9
105.07005	4.8
107.08576	2.4
109.10101	2.1
114.05535	20.9
116.98653	1.2
117.02626	1.5
117.03385	22.2
119.04904	2.1
119.08561	3.1
121.06482	2.9
121.10117	1.5
131.08522	1.2
133.10217	2.5
134.03635	1.3
135.04422	1.4
136.89810	0.9
137.05933	1.0
138.05511	18.9
144.73094	0.8
145.02853	58.1
147.04417	7.8
147.11691	5.7
149.05975	8.4
153.08037	0.8
156.06560	6.5
158.05968	1.0
158.99809	0.9
171.11990	2.6
177.05478	100.0
186.05449	3.0
189.05504	1.1
224.62981	0.8
231.01656	0.8
239.02283	2.6
254.94699	3.0
257.03220	1.6
272.95654	1.8
326.92737	1.5
350.12360	34.3
350.25815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
57.03432	1.5
61.02913	1.9
61.47031	0.7
65.03944	4.9
66.59232	0.8
68.99776	2.2
69.03432	5.1
69.96495	3.1
71.04978	0.9
73.02914	1.0
81.03416	1.5
83.04984	3.2
84.04439	0.9
85.02911	14.9
87.04462	1.0
93.03429	4.0
97.02906	5.0
98.97588	1.1
99.04459	0.9
108.54528	0.8
109.02869	1.9
111.04453	25.7
121.03982	2.1
126.05525	1.2
127.03909	3.1
135.78638	0.8
137.05910	1.3
139.03908	73.4
145.02800	1.0
145.04968	1.8
153.05481	1.4
156.04153	2.7
163.03828	1.6
171.06532	100.0
180.08633	2.1
187.41321	0.8
220.84093	0.8
302.40479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05504	5.4
67.05508	6.9
69.03417	4.9
69.07082	5.6
70.06602	3.3
70.15009	10.4
72.08128	2.4
79.05488	12.7
81.03410	3.8
81.07064	5.5
83.04990	9.6
85.02914	13.2
91.05478	18.6
93.07052	79.3
95.08611	21.8
97.02933	3.5
105.07049	6.9
107.08604	100.0
109.10146	6.9
121.06506	4.8
131.96085	2.3
135.11707	84.5
153.12755	35.1
158.35312	2.2
164.35008	2.6
194.46936	2.2
233.99396	8.0
266.07275	5.2
276.00513	5.5
307.92508	2.3
368.10309	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	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.4
69.03424	6.2
71.04996	69.3
71.19065	5.6
73.02918	3.4
79.05491	6.6
80.26157	2.7
81.03439	2.9
81.07060	100.0
83.08622	5.1
85.02911	39.3
85.06558	23.5
91.03996	3.0
93.07056	25.8
95.08613	16.8
97.02894	10.5
107.08586	11.8
109.02875	3.1
115.04050	2.9
127.03928	11.2
133.04944	6.2
135.11720	34.4
137.13269	44.2
145.04964	18.3
152.11557	2.9
163.06032	8.9
163.25766	2.8
179.05501	5.4
233.10254	3.9
262.64865	3.1
270.09705	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97778	0.7
55.01838	0.9
55.05501	2.7
57.03419	1.0
57.07065	2.1
59.04982	1.3
61.02924	0.9
61.89573	0.8
67.05497	2.3
69.03429	2.1
69.07074	17.1
71.04641	1.1
71.04997	12.8
72.68619	0.9
73.06556	1.6
79.05476	4.0
81.03416	1.3
81.07059	17.2
83.04994	0.9
83.08625	5.5
85.02907	11.2
91.05463	3.1
93.07055	22.1
95.08606	6.2
97.02878	3.9
97.06551	5.3
105.07034	1.4
107.08604	21.2
109.02879	1.5
109.10168	8.6
111.08088	0.9
119.08597	2.6
121.06502	1.4
123.11726	1.9
125.13287	7.6
127.03909	1.7
133.10135	1.0
135.11700	37.9
141.57584	0.8
145.04967	3.5
153.12755	100.0
165.12819	1.1
171.13823	9.0
261.14734	1.9
297.16769	1.0
315.18112	3.1
329.15759	0.8
350.15927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.4
55.05521	5.8
67.05497	5.6
70.07773	15.5
79.05497	6.9
81.07041	10.1
83.04977	7.2
85.02904	13.3
91.05474	11.9
93.07050	58.0
95.08597	12.3
105.07021	7.6
107.08605	92.1
109.10121	4.8
116.87868	4.5
127.03841	4.5
135.11711	100.0
153.12793	24.9
293.29138	4.2
324.09189	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	350.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	26.4
57.03420	1.4
57.07082	9.2
58.02949	2.8
61.09289	1.4
62.67989	1.4
65.29702	1.5
67.05228	1.5
67.05514	18.2
69.06731	2.3
69.07075	32.8
70.06593	4.8
71.08639	39.9
72.08151	2.0
79.05495	14.0
81.07060	22.1
82.06572	4.3
83.04992	2.8
83.08633	16.3
84.08141	7.5
85.10179	1.8
86.06060	3.3
86.09696	4.8
88.11275	100.0
89.06020	6.3
91.05489	9.2
93.07049	9.1
94.06572	7.6
95.08606	19.7
96.08115	3.6
97.06540	1.6
97.10167	7.9
105.07043	4.5
107.08620	7.8
108.08076	2.1
109.10162	10.2
110.09680	2.4
111.08066	2.1
111.11765	1.8
112.07558	3.1
114.09161	2.3
117.07053	2.7
119.08567	4.3
121.10154	4.2
122.09734	1.5
122.38975	1.5
123.08089	1.5
123.11716	3.4
124.11214	6.1
130.18788	1.3
133.10155	5.8
135.11670	4.8
142.12276	1.6
145.10190	2.7
147.11691	4.9
149.13177	1.7
151.09671	9.0
153.12773	3.7
153.29654	1.5
155.98189	1.4
156.13812	6.1
161.13203	2.0
162.85553	1.5
164.14427	2.4
170.15405	5.9
171.11957	2.2
184.16954	5.9
188.06935	1.5
198.18584	5.4
212.16486	8.4
212.20047	3.7
226.21661	4.2
240.23210	2.4
245.22713	2.5
252.19595	7.1
252.23410	1.9
254.24686	2.6
266.24774	2.1
268.26483	2.3
291.23114	1.9
292.22824	2.5
332.25848	3.3
350.27249	34.5
350.34171	97.5
351.33432	1.3
369.37570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
55.48584	0.5
56.96565	3.9
57.03427	1.0
57.26801	0.5
60.68863	0.5
62.24228	0.5
67.05513	2.5
69.07067	0.8
71.57433	0.5
71.57845	0.5
79.05498	2.7
81.07059	3.9
81.44077	0.4
83.04967	0.5
84.96028	1.6
85.02899	0.5
90.35906	0.5
91.05484	2.5
91.60419	0.4
93.07056	3.1
94.76907	0.5
95.04975	0.7
95.08608	1.9
98.97591	13.2
99.38684	0.4
99.53728	0.5
105.07034	2.2
107.08588	2.0
110.97571	8.1
112.99147	3.2
115.05497	1.1
116.98629	3.4
117.07024	1.7
118.06551	20.6
119.08609	1.1
121.06491	1.6
121.10165	2.2
128.98616	5.9
131.00150	1.9
131.08542	1.3
133.10132	1.6
135.11696	0.9
138.50975	0.5
140.00272	0.5
142.06540	1.8
143.00247	0.8
143.07300	2.0
143.08469	0.5
144.04465	0.6
144.08096	10.7
144.98097	0.7
145.10149	0.5
146.06015	44.1
146.99631	1.6
147.11737	0.6
148.07233	0.4
149.01241	0.7
155.00220	0.4
158.99649	1.7
159.11655	0.7
164.07069	8.7
170.06007	3.1
170.99652	8.2
173.01247	1.5
177.00771	0.8
188.07076	50.3
189.00722	11.2
191.02333	0.6
207.01796	1.4
212.02260	1.2
222.07576	0.6
231.01761	5.9
245.10860	0.6
249.02829	6.6
251.84424	0.4
259.20676	1.0
267.03946	1.2
272.04449	0.6
285.13626	1.3
291.03857	4.9
295.51865	0.4
305.12912	1.5
309.05115	1.2
333.20248	0.6
351.13547	6.2
351.21426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64656	2.3
62.52708	2.7
71.10312	2.4
71.10657	6.8
72.40452	2.3
76.26711	2.3
157.03467	3.1
174.04329	2.5
194.57231	4.8
223.06636	9.6
258.55890	2.4
259.57880	4.7
260.08331	14.1
291.05460	2.8
301.15186	2.9
314.28323	2.4
351.06866	100.0
351.12271	30.6
363.56726	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72749	2.2
57.03429	2.7
60.68921	2.1
69.03422	5.1
71.22965	4.6
73.02945	2.3
82.99860	3.9
85.02906	10.6
85.06581	4.0
97.02928	3.5
98.97563	2.6
101.00890	42.4
115.02435	6.1
119.01927	50.0
127.02413	5.0
129.00450	2.3
131.01927	3.8
133.03476	7.0
137.02946	3.3
139.02409	6.5
143.01909	17.2
145.03505	14.7
157.03496	38.4
161.02985	10.6
163.04546	5.2
175.03172	2.9
175.04529	16.0
181.05695	4.1
187.04558	4.0
189.03775	3.9
194.07018	3.2
195.07118	5.2
205.05550	20.5
206.05682	2.5
217.00293	3.7
223.06648	79.5
224.06972	3.1
241.07756	14.0
249.02896	3.3
290.40845	2.3
291.05673	38.5
295.08554	2.7
315.09470	2.5
319.05173	66.4
333.06650	3.0
351.07333	100.0
351.12589	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	351.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.96569	14.2
57.03439	1.4
61.02928	1.5
67.05503	0.9
69.03432	5.3
70.06589	2.2
71.05006	1.5
71.56964	1.0
71.95269	0.6
72.08150	2.1
73.02908	1.3
79.05491	1.0
81.03457	1.0
83.04987	1.0
84.08139	2.8
84.96058	3.5
85.02914	8.8
85.06548	6.5
86.03214	1.0
86.09749	0.8
87.04502	1.2
91.05488	2.5
97.02919	4.9
98.97589	100.0
99.04443	0.7
99.97922	0.8
101.00903	2.1
102.96936	1.0
103.05468	0.9
107.04955	1.6
110.97583	8.4
112.99165	1.9
115.03939	0.7
116.98627	32.9
119.01926	2.5
119.04910	1.5
121.06505	2.1
123.05515	0.7
124.99113	2.9
127.00687	1.4
127.03940	2.0
128.98601	7.1
131.00166	2.0
131.01848	0.9
134.99680	6.9
136.07562	1.2
137.05983	6.9
139.11220	1.2
140.00185	1.2
140.98579	1.3
142.00996	0.7
143.00198	5.9
143.01930	1.6
144.98071	1.3
145.01727	2.6
145.03563	1.0
145.04869	1.6
146.99651	2.1
147.03253	2.8
147.04413	2.7
149.01285	0.6
149.05914	0.9
152.98621	1.5
153.05475	0.7
154.03815	0.7
154.94238	0.7
155.04692	1.1
157.03506	1.7
158.99664	39.0
161.01230	4.8
161.02898	0.8
162.99164	0.6
163.02737	1.6
163.03935	1.9
165.04349	1.6
167.07045	0.8
167.10661	1.2
170.08151	0.8
170.99727	4.6
171.01157	1.0
171.01848	0.7
171.03238	4.7
171.10167	0.8
175.02757	1.1
175.04692	0.6
177.00735	25.2
177.05379	0.8
179.02188	1.0
179.07013	0.9
182.99681	0.7
185.01186	2.1
188.54913	0.9
189.00690	2.6
189.02414	1.4
189.04323	10.2
194.07237	0.8
195.01715	0.9
195.05038	1.3
196.04782	0.8
200.02361	1.1
201.00705	2.1
203.02249	0.9
207.05341	2.1
213.00801	0.9
213.04408	1.1
217.05568	0.7
219.01791	14.0
221.03317	0.9
223.06647	2.3
226.05945	1.5
227.06779	1.1
231.01567	0.9
231.03503	1.6
231.05450	1.9
234.99011	0.7
237.02856	16.2
238.03532	0.8
239.04318	1.9
245.05025	0.8
249.02808	2.6
255.03831	1.1
260.08463	0.6
260.57285	0.9
261.08160	1.8
265.05457	0.8
267.03714	1.4
273.02838	0.9
291.03864	4.8
291.07486	23.8
307.06650	1.6
309.05008	4.8
309.08545	64.2
310.09021	1.5
332.10211	2.4
336.06778	0.8
351.09723	37.4
351.22455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.96566	14.2
57.03443	1.9
61.02928	1.5
67.05511	1.2
69.03426	3.8
69.94585	3.1
70.06595	2.2
71.05006	0.9
71.95268	0.6
72.08162	1.0
73.02923	1.7
79.05488	1.3
81.03431	2.1
81.07061	1.0
83.04974	1.4
84.08126	1.5
84.96047	2.4
85.02911	8.4
85.06544	9.9
85.07014	1.0
86.03251	0.7
86.09730	1.0
87.04469	0.8
91.05483	1.8
93.07037	0.8
95.04991	0.6
97.02903	4.8
97.06587	0.8
98.20844	1.1
98.97591	100.0
99.04473	1.1
101.00888	1.5
102.96875	0.8
107.04967	1.4
109.02914	1.6
110.07166	0.8
110.97582	8.5
112.99153	1.4
116.98628	32.1
119.01929	2.2
119.04937	2.4
121.06515	2.5
123.04437	0.7
123.05521	1.0
124.99111	3.1
125.84049	0.6
127.00694	0.8
127.03933	2.0
128.98618	5.4
129.02252	0.9
129.05490	1.1
131.00198	1.9
131.01917	0.7
134.05989	0.6
134.99664	6.8
135.04457	0.9
136.07613	1.0
136.81856	0.6
137.05983	5.9
138.06291	0.8
139.11224	1.3
140.00201	1.2
140.98575	1.3
143.00165	5.6
143.01907	1.3
144.98058	0.7
145.01746	2.5
145.03481	1.0
145.04935	0.8
146.99667	2.4
147.03271	2.3
147.04459	2.6
149.01328	0.6
152.98587	1.2
155.04645	0.6
157.03415	0.8
157.06223	0.7
158.99664	34.1
161.01193	3.0
161.02936	1.4
162.99062	0.9
163.02740	1.1
163.03954	1.8
165.04358	1.5
167.07056	1.0
167.10645	1.6
170.99657	4.1
171.03281	4.3
173.01305	0.7
173.02907	0.7
177.00716	23.4
177.05452	0.8
179.07080	1.4
185.01253	1.7
187.02641	0.7
189.00720	2.3
189.04372	8.4
192.04913	0.7
195.01849	1.2
195.05042	1.6
200.02518	0.8
201.00688	1.6
207.05424	1.9
219.01775	13.1
219.05096	1.0
223.06572	1.0
226.05995	1.5
227.06758	0.8
231.01634	1.1
231.03532	1.2
231.05424	2.2
236.07349	0.9
237.02826	14.8
239.04442	1.4
249.02940	1.7
261.08017	1.4
267.03931	1.1
273.02682	1.3
287.17792	0.8
291.03873	5.2
291.07477	20.8
303.10156	0.9
307.06754	0.9
309.05042	3.8
309.08551	58.2
310.09003	0.8
332.10193	2.1
351.09729	31.0
351.22610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29031	1.1
55.01867	2.4
55.05513	2.6
57.03440	1.3
68.99788	3.8
69.03432	6.2
69.74079	6.9
79.05471	1.4
81.03398	3.2
83.08646	6.7
85.02911	13.3
87.00849	5.5
91.05481	5.6
93.07029	2.5
97.02896	2.3
103.05444	1.2
105.07037	5.8
107.04974	5.6
107.08590	1.0
108.22212	1.0
115.05468	7.5
117.07046	6.4
120.05697	2.8
121.06509	10.1
128.06212	5.3
129.01732	1.3
129.07021	14.0
131.04918	3.1
131.08540	7.3
133.06519	10.4
135.08058	3.3
141.07021	6.4
143.08498	1.9
144.05736	6.8
145.06462	8.3
147.04419	3.2
147.08034	4.1
149.06000	9.1
151.07573	6.1
153.07002	6.2
154.07782	1.9
155.08554	10.4
157.06500	23.3
158.07283	22.8
159.08058	25.3
161.06000	4.9
163.07492	3.4
165.05499	2.9
165.06993	8.2
168.05690	2.7
169.06461	3.2
171.02919	3.3
171.08011	4.6
172.14447	1.1
173.04486	1.9
173.05951	1.8
173.09630	2.9
175.07558	19.9
183.08052	16.7
185.06006	15.3
186.06624	1.5
187.07533	12.9
189.03867	3.6
189.09068	1.2
191.07027	6.0
193.06577	1.7
199.07552	4.2
201.09100	29.0
203.07045	18.3
205.08746	4.7
211.07553	22.4
217.08632	11.8
229.08612	100.0
230.08997	2.1
247.09680	87.4
265.10693	12.0
301.63290	1.2
315.08649	2.0
333.09448	8.4
351.10861	6.0
351.15485	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1228
Annotation	Indicanine C
Peak:m/z	Relative Intensity
55.85669	0.5
71.54109	1.0
81.03365	0.6
81.64335	0.6
91.05412	0.6
107.04884	0.6
107.35951	0.5
137.05931	0.8
145.02820	1.0
146.03177	1.0
147.04390	0.8
161.05959	0.6
164.84494	0.5
177.05409	1.9
178.05692	0.7
178.31242	0.6
189.06967	1.7
190.07727	1.5
191.08502	1.5
196.68326	0.5
201.07112	0.6
202.07777	6.1
203.08563	3.6
205.06575	3.0
213.06989	0.9
214.27170	0.5
215.08553	2.6
217.06493	1.3
218.07150	2.9
219.08044	7.4
220.08875	3.3
223.07501	0.6
229.06424	1.0
230.07249	6.0
231.08043	13.2
232.08792	2.7
233.05952	2.4
233.09479	1.3
234.06702	1.3
235.11226	0.6
237.08853	0.8
242.07263	1.5
243.08028	1.2
244.08839	0.8
245.05960	2.2
245.09645	1.0
246.06804	5.3
247.07550	10.0
248.08322	9.3
249.09048	1.1
258.06763	4.6
259.07550	8.7
260.08249	5.1
261.05530	4.8
261.09052	1.8
262.06137	1.8
262.10022	0.6
263.10632	3.6
264.07864	0.7
265.08566	1.7
273.05951	1.0
273.09091	19.4
274.06213	3.6
274.09354	1.1
275.07031	6.7
276.07806	19.5
277.08594	6.6
287.06931	1.3
288.07877	0.7
289.04959	3.3
289.08597	9.2
290.06085	0.9
290.09329	13.8
291.10172	12.7
293.08170	3.8
301.08649	10.3
303.06857	0.9
304.07281	12.6
305.08069	8.5
318.08856	1.5
319.09650	100.0
320.10373	15.6
321.07767	0.8
334.12149	0.7
336.09998	2.1
351.12299	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	351.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.48479	0.1
56.96557	0.5
67.05484	0.5
69.03426	0.3
69.07072	0.2
71.57154	0.3
78.29073	0.1
79.05491	0.7
81.07049	0.5
83.04981	0.3
84.84005	0.1
84.96040	0.2
85.02878	0.2
91.05464	2.0
93.07059	0.6
95.08619	0.4
98.97591	1.7
103.05434	0.5
105.07024	0.5
105.65521	0.1
107.08621	0.3
109.10142	0.2
110.97553	0.4
112.99197	0.2
115.05454	2.6
116.04996	0.2
116.98654	0.7
117.05766	0.8
117.07008	2.8
118.06544	41.4
119.06876	0.3
119.08534	0.3
121.06487	1.1
121.10117	0.3
122.06033	0.2
128.06244	0.2
128.98605	0.4
130.06532	1.3
131.00186	0.2
132.08061	0.5
133.10146	0.4
134.06055	0.2
137.09648	0.2
142.06531	4.1
143.00226	0.3
143.07309	4.3
144.04482	1.0
144.08089	20.1
145.06468	0.4
145.08484	0.2
145.10107	0.3
146.06010	84.1
147.04425	0.2
147.06316	0.6
155.06030	0.6
158.99644	0.3
160.07578	1.3
164.07071	20.0
165.07423	0.2
169.05222	0.2
169.07602	0.2
170.06007	6.7
170.99716	0.4
173.01346	0.2
177.00758	0.2
187.11179	0.2
188.07066	100.0
189.00697	0.5
189.07419	1.1
190.08630	0.2
191.14272	0.5
201.00723	0.3
204.06557	0.5
217.08966	0.2
218.09676	0.5
219.01825	0.3
219.08994	0.2
222.07596	1.5
225.01033	0.2
231.01808	0.3
232.09926	0.3
233.10597	0.3
245.10782	0.7
246.09116	0.3
246.11438	0.2
247.12279	0.3
249.02907	0.8
259.08725	0.2
273.10202	0.5
275.11835	0.5
277.09766	0.6
279.11374	0.4
290.10666	0.3
291.03885	0.9
291.11264	0.5
292.11969	0.2
293.03311	0.2
303.11176	0.4
305.12888	3.0
307.14331	0.6
309.04935	0.2
333.20273	0.2
335.10083	0.2
351.13403	16.3
351.21323	5.2
352.13644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.7
57.07078	2.8
57.62531	0.4
67.05502	3.5
69.03435	0.8
69.07070	0.8
69.40527	3.9
71.04988	1.9
72.08121	0.6
76.21140	0.4
79.05496	1.3
81.07050	0.7
83.04986	4.5
85.06544	100.0
86.06899	0.7
91.05479	1.1
93.07022	3.4
95.04971	0.7
95.08620	2.7
97.02871	0.8
97.06533	7.1
103.07595	3.8
105.06977	0.6
109.10160	3.2
111.08125	0.4
121.10146	4.8
121.14745	0.4
123.08059	2.4
131.08612	1.4
137.09610	1.3
139.11177	13.1
139.12215	0.9
145.02806	0.7
149.09631	4.9
153.96988	0.5
155.10677	0.5
167.10681	22.3
177.05397	0.7
206.20671	0.5
231.08694	1.9
272.14603	0.5
274.55838	0.4
315.14355	1.3
320.01883	0.5
333.15494	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59579	0.5
55.05510	3.5
57.03435	0.9
57.07079	3.2
57.28748	0.4
67.05498	3.2
69.03422	1.5
69.07076	1.4
69.36092	0.5
70.06604	1.1
70.13525	0.4
70.86328	1.3
71.04987	1.9
72.08150	1.6
79.05483	2.5
81.07052	1.8
83.04989	6.2
83.08626	1.5
84.77774	0.5
85.02917	1.7
85.06550	100.0
91.05499	2.0
93.07043	7.0
95.08611	3.6
97.02895	2.8
97.06540	9.2
103.03950	0.8
103.07587	3.6
105.07010	0.9
107.08630	1.5
109.10172	4.2
121.06509	0.9
121.10150	6.7
123.08075	1.7
127.03960	0.6
131.08572	1.1
135.11722	0.9
137.09624	1.7
139.11188	11.1
149.04582	0.7
149.09650	5.4
153.12743	1.5
155.10678	0.7
167.10690	25.4
171.13770	1.2
178.42094	0.6
205.09090	0.9
231.08688	1.2
297.13354	1.0
315.14398	1.7
333.15561	1.1
351.10950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01866	0.6
55.05512	2.9
56.96568	18.1
57.03433	1.0
57.07068	0.9
63.73714	0.4
67.05169	0.6
67.05510	7.7
69.07075	2.8
69.88323	2.0
71.04984	0.9
71.08621	1.1
71.95268	2.5
72.96031	0.9
74.97609	0.4
79.05499	8.3
81.07059	7.5
82.07384	0.5
83.08621	0.7
84.96022	1.0
91.05484	8.9
93.07048	11.1
95.04977	1.2
95.08618	5.5
97.06538	0.7
97.10152	0.6
97.96800	0.9
98.97581	1.7
99.08074	1.4
101.33841	0.4
103.05463	0.5
105.00148	0.4
105.07037	9.7
107.08600	7.2
109.06519	0.7
109.10138	2.5
110.15986	0.4
110.97569	3.3
111.08086	0.6
115.00674	1.4
115.97871	0.8
117.07034	2.1
118.06534	1.5
118.80469	0.4
119.07793	0.6
119.08581	7.9
121.06506	0.9
121.10143	5.2
123.11719	1.1
128.98627	2.8
129.02225	0.4
129.06975	1.8
131.00175	0.5
131.08574	3.6
133.10138	7.6
135.11717	4.1
137.02750	1.0
137.09651	0.8
141.02229	1.1
143.08554	1.6
144.08147	0.7
145.10112	3.5
146.06027	3.1
146.99664	1.0
147.11697	6.5
149.09625	0.6
149.13240	2.9
151.11113	0.9
153.02249	0.7
155.03761	1.3
157.10146	1.4
159.03285	0.5
159.11740	2.2
161.13283	6.2
163.11201	0.4
163.14799	1.0
164.07074	0.7
167.03815	0.9
169.01836	0.5
169.05350	0.9
171.03307	1.2
171.11702	1.9
173.04858	1.0
173.13275	1.8
175.02681	0.4
175.14862	2.8
179.14310	0.6
181.05301	1.1
183.03328	0.6
183.06969	1.0
185.04886	3.1
185.13258	2.3
187.06471	0.5
187.14821	0.5
188.07103	3.4
189.04410	0.7
189.12691	0.6
195.06860	2.4
197.04852	0.8
197.08546	0.7
198.05661	0.7
199.02823	1.1
199.06456	3.7
199.14815	0.9
201.07962	1.0
203.05945	1.8
211.06514	0.8
213.04555	0.7
213.07983	13.4
217.07465	1.4
223.06419	0.9
225.08047	0.5
227.09633	1.0
229.07407	3.1
231.09029	8.7
231.17465	0.6
231.21159	1.5
236.09540	1.0
241.07431	3.2
241.11188	0.9
241.19513	5.4
243.09070	2.8
245.10611	0.5
247.08560	1.6
253.11006	0.5
254.10912	0.6
255.08943	0.5
257.10703	1.0
259.08487	1.0
259.12262	0.6
259.20587	14.0
261.10114	0.6
264.09222	0.5
269.10501	0.9
277.21582	1.1
303.16296	0.5
315.16376	2.2
321.17334	1.4
331.15915	0.7
333.17389	19.7
334.17917	0.6
349.16931	3.2
351.18430	100.0
351.24814	11.3
352.18747	1.7
369.19568	4.6
374.20035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2015
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.05511	13.5
69.03437	8.2
69.07069	5.9
71.04992	12.9
71.40680	5.9
71.41013	7.6
77.27196	5.4
81.07059	24.8
83.08615	21.1
83.32323	5.1
84.04523	8.7
85.02908	19.6
87.00845	8.6
93.07047	11.5
101.09661	6.5
105.07034	10.0
107.04949	6.5
107.08620	11.0
117.07018	8.0
121.06546	5.5
129.06958	15.4
131.08589	7.3
133.06490	7.3
135.11699	21.2
145.06467	7.3
147.04388	7.9
153.06963	5.1
153.12775	64.0
155.08583	11.9
157.06519	26.4
158.07263	27.1
159.08069	20.9
169.12241	9.7
171.08247	5.4
172.08878	5.5
173.25304	4.6
175.07544	32.2
183.08067	13.0
185.06001	22.4
187.07568	16.0
191.06992	7.7
201.09154	26.9
203.07082	16.8
205.08833	12.0
211.07558	18.7
217.08620	11.0
222.11520	5.1
229.08600	100.0
247.09708	64.5
265.10721	19.8
351.10583	15.4
351.15439	10.8
351.34045	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.8
57.03433	1.3
57.07079	3.1
60.55232	0.6
67.05508	5.2
67.77995	0.7
68.25072	0.5
69.03426	1.8
69.07070	3.4
69.29281	2.6
69.29710	2.9
70.06594	0.7
70.17809	0.6
71.05010	1.9
79.05495	5.1
81.07042	3.8
83.04990	12.7
83.08615	1.5
85.02931	3.8
85.06551	100.0
91.05480	3.4
93.07053	9.7
95.04979	0.8
95.08619	9.4
97.02914	1.8
97.06547	9.1
98.21539	1.4
103.03968	0.7
103.07578	3.5
105.07044	1.4
107.08619	8.4
109.06588	1.2
109.10165	5.3
109.83704	0.6
111.04431	0.9
111.08069	0.8
112.96805	0.7
121.06496	0.7
121.10145	5.4
123.08080	1.5
123.11702	1.2
127.03962	0.8
131.08594	1.5
135.11707	8.1
137.05974	1.4
137.09608	1.1
139.11209	10.5
143.00175	0.6
145.02849	1.0
145.05063	0.7
147.04330	0.7
149.05966	0.7
149.09637	4.0
153.12758	6.3
161.06131	0.7
165.05482	14.8
167.10696	17.1
171.13814	4.2
177.05467	1.3
189.14919	2.2
315.14444	1.4
330.89072	0.6
333.10782	1.3
351.11075	2.0
351.15530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2015
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.05500	3.0
57.03437	1.7
60.39479	1.4
61.02916	1.9
61.90464	1.7
62.65081	1.4
67.05499	3.3
67.90891	1.3
69.03420	4.6
69.07069	11.5
71.04996	21.8
71.11815	2.8
73.06560	3.2
79.05505	7.5
81.07059	32.9
83.08622	2.4
85.02912	10.3
85.06553	11.9
87.69160	1.4
90.40230	1.3
91.05465	4.7
93.07052	24.0
94.20473	1.4
95.08596	6.2
96.96118	1.6
97.02908	3.8
97.06538	47.5
105.07022	2.0
107.08604	23.0
109.10160	14.5
123.11707	11.7
125.13239	2.0
127.11199	13.4
135.11691	37.5
141.12746	44.5
153.12755	82.2
155.08556	1.9
157.06546	2.1
158.07272	1.8
159.08018	2.1
165.05565	1.7
171.13814	100.0
175.07542	1.4
189.14871	61.9
201.09154	1.7
211.07568	2.7
229.08629	7.2
247.09766	7.3
333.09619	2.2
341.38007	1.6
351.11108	2.3
371.63876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2016
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03946	3.7
53.69081	2.3
55.01873	2.8
55.05505	4.1
56.96562	5.5
57.07063	3.1
58.06590	3.8
60.08130	2.3
64.94517	2.5
65.22941	2.7
67.05505	10.3
69.03427	9.5
69.07060	4.2
70.06599	19.6
71.04990	23.6
71.55864	3.0
72.08150	5.6
73.02885	3.0
73.58828	2.6
79.05489	8.6
81.03409	5.8
81.07059	30.1
82.07377	3.6
83.04955	3.7
84.08154	19.6
85.02910	16.2
85.06546	9.2
86.06071	3.0
87.04450	3.9
87.10522	2.5
91.05493	14.7
93.07053	27.7
95.04962	8.1
95.08616	5.8
97.02884	7.0
97.06531	8.3
98.97577	7.0
103.05462	4.8
103.49443	2.5
105.07051	4.2
107.04919	2.5
107.08611	18.9
109.10121	4.3
110.07173	2.9
111.04452	4.4
118.06561	3.4
119.04958	4.2
120.08131	2.6
121.06503	44.2
121.10220	2.5
122.06844	9.5
123.11715	9.2
130.08696	3.7
133.06516	3.2
135.11681	29.2
137.05920	5.1
141.11707	3.3
141.12758	42.2
143.08511	2.9
145.01764	2.9
145.02856	9.8
147.04391	7.6
147.11638	2.5
152.40053	2.5
153.12755	66.8
158.99765	3.0
163.03955	4.0
165.05524	4.1
171.13809	100.0
173.13336	3.2
176.07083	4.0
177.05510	16.0
178.05841	2.4
178.08635	3.9
189.14897	12.5
229.08650	2.7
266.10251	7.5
281.65088	5.2
350.68417	32.8
351.11069	10.0
351.15225	7.0
351.18768	8.5
352.10187	6.9
352.17374	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	351.2146
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.64618	0.4
67.05511	0.5
69.07059	0.5
70.72845	1.1
79.05479	0.8
79.53790	0.4
81.03415	0.6
81.07057	1.3
85.02920	0.6
91.05486	0.9
92.83833	0.4
93.07027	0.5
95.08622	0.6
105.07026	1.4
107.08585	0.8
118.06555	0.7
119.04922	0.9
119.08575	0.5
121.05766	0.4
121.06486	2.4
121.10191	0.4
127.59174	0.4
131.08533	0.4
133.10172	0.6
137.06004	1.2
146.05989	1.4
147.04413	1.7
161.09671	0.5
168.76659	0.4
188.07066	1.1
253.13083	0.5
281.13596	0.6
289.07889	0.4
333.19516	0.6
351.21439	100.0
352.21762	1.6
364.13156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58110	0.3
61.66417	0.3
67.05473	0.4
69.03452	0.3
70.07551	0.9
70.07973	0.6
75.16375	0.3
81.07066	0.4
85.02872	0.3
91.05479	1.0
93.07034	0.5
95.08620	0.7
97.02896	0.9
98.03220	0.5
98.97573	0.7
105.07035	0.4
106.65093	0.3
107.08582	0.8
109.10149	0.5
114.05534	0.6
114.11638	0.3
117.03368	0.7
117.07040	0.4
118.03692	0.3
119.04935	0.4
119.08594	0.3
121.10139	0.3
133.10057	0.4
137.05992	1.3
138.05534	0.5
145.02817	1.3
146.03166	1.2
147.04369	0.3
159.11751	0.3
163.03915	0.3
177.05481	2.0
178.05803	2.4
180.06581	0.5
273.09286	0.3
291.09946	0.5
319.09631	0.7
333.20065	0.5
351.21417	100.0
352.21579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2145
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.31893	0.3
66.71921	0.3
67.05508	0.4
68.04974	0.3
69.98878	1.3
81.07069	0.4
81.11539	0.4
87.92113	0.3
91.05457	0.6
92.19995	0.3
93.07082	0.4
97.02885	1.0
98.03208	0.4
117.03358	0.4
119.08605	0.5
137.05956	0.7
145.02873	0.9
146.03189	0.9
166.92973	0.4
177.05482	1.2
178.05847	1.7
180.06656	0.4
215.03877	0.4
257.26050	0.4
319.09586	0.5
333.20483	0.7
351.21423	100.0
352.21677	1.4
355.18875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63420	1.5
53.03941	5.0
55.01868	4.4
55.05511	16.2
56.96551	2.9
57.03442	11.3
57.07065	3.2
58.18269	1.3
65.03934	1.9
67.05510	52.2
69.03429	3.0
69.07069	17.5
70.54334	2.4
70.54681	4.1
71.04989	3.2
71.08640	2.1
75.04486	2.8
79.05501	63.9
81.03439	1.9
81.07060	64.1
83.04990	3.5
83.08628	10.4
85.02898	2.6
85.06550	4.1
91.05489	56.4
93.07053	86.5
95.04974	5.3
95.08612	40.0
97.06539	4.6
97.10184	3.6
98.21335	1.7
98.97588	3.4
99.04499	1.5
99.08101	3.8
103.05471	1.8
105.07040	56.4
107.04921	2.0
107.08603	50.6
108.45887	1.4
109.06515	4.4
109.10170	17.0
111.04442	5.5
111.08086	2.7
113.09658	1.9
117.07011	12.3
118.06572	14.2
118.07379	2.4
119.08594	51.0
119.09451	3.2
121.06518	7.0
121.10157	37.8
123.08048	2.5
123.11727	5.1
125.09661	2.1
129.05457	1.9
129.07005	9.1
131.08589	19.8
133.06520	1.8
133.10138	50.6
135.08046	2.8
135.11710	41.9
137.05997	32.1
137.09589	4.0
137.13245	2.5
139.11111	1.9
142.07742	1.6
143.07394	2.5
143.08557	10.6
144.08081	5.7
145.10130	21.3
146.04953	2.3
146.06009	25.8
147.08006	3.6
147.11696	44.6
149.09628	4.9
149.13261	25.1
151.11188	2.2
157.10143	14.0
159.11699	19.7
161.09613	3.5
161.13263	35.6
163.11197	4.7
163.14838	8.3
164.07072	6.7
165.12767	1.3
170.06062	1.8
171.11719	15.0
173.13289	12.3
175.11198	4.3
175.14847	20.6
177.00595	1.3
177.12721	3.5
177.16469	1.7
179.10611	1.6
185.13286	12.4
187.14888	3.4
188.07086	28.9
189.12747	3.5
189.16359	1.9
191.14354	1.5
195.13747	1.9
199.14769	8.1
201.16441	2.1
203.14305	3.5
203.17975	2.3
207.56841	1.5
209.09610	1.6
213.16415	5.6
215.17973	3.0
217.15898	2.1
217.19493	4.7
231.17500	6.0
231.21071	10.3
241.19528	34.4
249.18581	3.7
259.20593	100.0
277.17975	19.3
277.21600	17.2
292.18170	1.7
295.18936	3.5
328.20505	1.7
333.24213	9.1
351.21356	49.6
351.25314	84.0
352.25580	1.7
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
51.02370	0.5
53.03933	0.7
54.26860	0.3
54.92236	0.4
55.01855	0.5
55.05511	3.4
55.83796	0.3
56.96569	18.7
57.03423	1.3
57.07069	0.9
60.69090	0.3
61.89843	0.3
65.03937	0.7
67.05507	10.8
69.07069	3.9
71.04987	1.2
71.08617	1.4
71.57996	0.6
71.95264	2.6
72.96035	0.9
74.97617	0.5
75.04443	0.5
79.05499	13.0
79.05961	0.8
81.03424	0.4
81.07059	12.3
83.04974	0.8
83.08601	2.0
84.96012	1.3
85.06547	1.0
89.83823	0.3
91.05486	15.0
93.07049	17.3
95.04961	1.1
95.08610	8.6
97.06532	0.9
97.10139	0.8
97.96806	1.4
98.97570	1.6
99.08091	1.3
103.05477	0.5
105.00146	0.6
105.07037	16.7
107.04964	0.6
107.08601	11.6
109.06508	0.7
109.10160	3.9
110.97570	3.2
111.08087	0.5
112.99090	0.4
115.00700	1.1
116.98573	0.6
117.07039	3.3
118.06548	3.3
119.01703	0.5
119.08587	15.0
121.06492	0.5
121.10149	7.9
123.08048	0.6
123.11700	0.9
125.09609	0.4
127.00694	0.8
128.98602	3.5
129.07014	2.7
131.08571	5.8
133.01682	0.4
133.09117	0.6
133.10132	11.2
135.08043	0.7
135.11705	8.2
137.02759	1.1
137.09642	0.5
138.33026	0.3
139.00690	0.7
139.11252	0.4
141.02203	1.4
142.07729	0.6
143.00146	0.5
143.07423	0.7
143.08566	2.4
144.08057	1.3
144.09160	0.4
145.10126	4.9
146.06026	5.6
146.99649	0.8
147.11694	11.9
149.09665	0.6
149.13257	4.4
151.00659	0.4
151.11180	1.1
153.02200	1.2
153.12743	0.4
155.03787	1.3
157.10139	2.4
159.03188	0.8
159.11693	4.2
161.01306	0.3
161.13272	8.6
163.11198	1.1
163.14842	1.2
164.07056	1.3
165.02249	0.4
165.12744	0.4
167.00180	0.5
167.03831	0.7
169.01711	0.5
169.05322	0.9
169.10132	0.3
171.03270	1.9
171.11678	3.6
173.04875	1.4
173.13292	2.6
175.06467	0.4
175.11142	0.5
175.14841	4.8
177.12703	0.6
179.14311	0.6
181.01816	0.5
181.05336	1.1
183.03293	0.7
183.06956	1.2
185.01210	0.5
185.04832	2.3
185.13315	3.4
187.02760	0.4
187.06494	0.6
187.14815	1.0
188.07054	7.7
189.04454	0.9
189.12801	0.8
191.03809	0.4
191.14328	0.5
195.03194	0.5
195.06909	2.2
195.09862	0.5
197.04890	0.6
197.08554	0.8
198.05644	0.4
199.02783	1.2
199.06418	3.5
199.14821	1.4
201.04378	0.7
201.08028	1.9
203.05898	1.7
203.14311	0.6
211.06416	1.4
213.04718	0.6
213.07977	13.3
213.16370	1.3
215.09579	0.5
215.17903	0.6
216.06773	0.4
217.07518	1.6
217.19463	0.8
223.06296	0.6
225.08038	0.9
227.09549	1.1
229.07512	3.3
231.09064	8.6
231.17433	0.9
231.20998	2.6
236.09499	1.5
239.09544	0.6
241.07458	3.0
241.11151	1.0
241.19522	8.7
243.09102	2.9
245.10524	0.6
247.08559	1.3
254.10544	0.7
255.08943	0.6
257.10626	1.2
259.08490	1.3
259.20584	25.6
261.10062	1.4
261.22205	0.4
264.09195	0.6
269.10559	0.8
277.21640	2.3
291.90036	0.3
303.16373	0.6
309.17340	0.6
315.16302	1.6
321.17365	1.5
325.16772	0.5
331.15750	0.5
333.17392	20.2
339.18716	0.4
349.16821	3.7
351.18420	100.0
351.24976	21.0
352.18814	2.1
367.17902	0.5
369.19424	4.2
374.20120	1.8
374.79037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71135	1.1
53.03932	4.3
55.05516	13.3
57.03452	6.3
57.07067	2.8
65.03937	2.1
67.05510	41.9
69.07080	13.8
69.82210	6.6
69.85975	1.3
71.04979	3.0
76.20837	1.3
79.05499	62.9
81.07063	53.2
83.08616	8.9
85.06534	3.4
91.05490	46.9
91.06068	1.9
93.07052	89.3
95.04975	4.7
95.08611	35.4
97.06519	3.8
97.10170	3.4
98.21036	4.1
99.08081	2.9
105.04514	1.9
105.07038	51.0
107.08606	52.4
109.06539	1.8
109.10160	13.2
111.08061	2.8
113.09650	2.3
117.07021	9.9
119.08588	51.3
121.10153	41.0
123.11706	3.5
128.06244	2.1
129.07010	9.8
131.08575	18.3
133.10147	43.3
135.08087	2.2
135.10680	2.5
135.11703	45.8
137.09642	2.7
143.08578	9.3
145.10141	20.3
147.11700	44.1
149.09628	2.7
149.13261	26.1
151.11165	2.5
157.10138	10.6
159.11691	20.1
161.09674	1.8
161.13275	32.6
163.11212	3.0
163.14822	9.2
171.11682	15.3
173.13290	11.6
175.11143	1.9
175.14856	18.5
177.12749	4.5
184.89607	1.2
185.13283	13.2
187.14835	2.4
189.12801	2.4
189.16351	1.8
199.14836	8.0
203.14259	2.7
213.16386	4.9
217.15842	1.9
217.19609	2.7
221.15578	1.5
231.17441	3.5
231.21109	7.9
241.19516	35.4
242.41269	1.3
259.20599	100.0
273.79660	1.3
277.21649	15.2
299.58319	1.4
333.24304	11.2
339.85660	1.4
351.25308	83.6
352.25726	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
53.06617	1.6
55.05512	10.4
57.03435	3.3
63.17393	1.5
65.03941	1.7
67.05184	2.4
67.05509	39.6
69.07057	10.6
69.81448	4.7
69.81848	2.3
79.05494	56.7
81.07063	42.2
83.04996	1.6
83.08623	6.2
85.06529	4.1
91.05482	53.7
93.07051	72.5
95.04994	3.0
95.08613	28.5
97.06529	2.8
97.10163	2.7
99.08091	4.6
103.05465	2.2
105.07030	60.0
107.08602	39.6
109.10145	11.9
111.08099	1.8
113.09631	2.4
117.07005	14.3
119.08587	54.3
121.06498	1.9
121.10148	32.5
123.11703	2.6
129.07019	7.9
131.08575	17.1
133.10136	48.6
135.08069	2.0
135.11699	38.5
137.09595	1.8
143.08554	8.9
144.09404	1.8
145.10127	23.8
147.11690	48.6
149.09618	3.0
149.13268	20.5
157.10143	8.3
159.11711	19.2
161.13277	35.4
163.11150	1.7
163.14832	4.4
171.11691	15.0
173.13306	8.2
175.11102	2.6
175.14835	13.2
177.12744	3.8
185.13246	12.3
187.14757	2.2
199.14793	9.1
203.14424	2.0
213.16423	4.1
215.18077	1.8
217.16016	1.9
217.19585	2.1
217.48549	1.6
220.80846	1.5
231.20961	7.6
241.19507	32.2
259.20584	100.0
260.20972	4.0
261.22144	2.2
277.21561	4.8
333.24347	1.9
351.25317	69.4
364.22382	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	3.1
53.03939	12.5
53.33270	2.6
55.01878	4.8
55.05516	21.6
56.96563	3.3
57.03443	23.7
57.07073	8.0
65.03947	3.5
67.05510	83.7
69.03416	4.5
69.07070	21.1
71.04987	11.1
71.58048	3.8
74.35795	3.2
79.05498	100.0
81.03423	4.2
81.07063	88.4
83.04966	3.7
83.08609	13.1
83.51176	2.8
85.06554	3.7
91.05483	75.8
91.06011	5.9
93.07051	94.8
95.04975	11.1
95.08608	57.7
96.86952	2.7
97.02948	3.3
97.06529	11.2
97.10171	4.4
98.97558	5.7
99.08080	3.5
103.05512	4.8
105.07034	56.1
107.08597	58.6
109.06523	6.9
109.10157	20.5
115.05380	3.3
116.98602	3.1
117.07030	15.7
118.06554	25.8
119.08587	34.0
121.06534	15.8
121.10152	49.1
123.08080	7.2
131.08565	20.8
133.10144	34.2
135.11697	33.5
137.06027	3.2
143.08577	6.4
144.08055	8.6
145.10133	19.5
146.06026	35.0
147.11728	24.9
149.09633	4.7
149.13239	16.7
157.10204	7.2
158.99698	4.7
159.11694	16.2
161.09683	4.2
161.13248	13.0
163.14822	4.6
164.07100	11.4
171.11678	7.7
173.13208	9.6
175.14925	8.5
177.12766	3.3
185.13272	6.3
188.07053	51.7
188.08519	5.2
191.14316	3.5
199.14818	5.6
203.10704	11.1
235.16907	4.8
241.19518	12.6
259.17093	28.1
259.20566	41.2
269.10977	4.1
277.21625	11.8
310.19354	4.2
328.20529	6.8
333.20361	5.4
333.24258	7.9
351.13870	5.6
351.18182	3.4
351.21371	22.6
351.25293	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01854	3.4
55.05516	20.6
56.63763	0.8
57.03442	13.6
57.07070	4.1
65.03929	1.9
67.05508	51.2
69.03426	1.0
69.07068	15.1
69.21648	1.8
69.21977	9.6
69.90697	0.9
71.04996	2.0
71.08634	52.8
77.03936	1.5
77.15958	0.8
79.05498	41.5
81.03419	6.7
81.07062	53.4
83.04993	9.6
83.08617	10.6
85.06536	3.4
91.05485	28.8
93.07050	55.1
95.04976	10.1
95.08612	36.3
97.06533	9.2
97.10182	5.3
99.08096	33.6
103.05469	1.2
105.04507	1.3
105.06476	0.6
105.07029	22.5
107.04967	7.3
107.08602	30.7
109.06506	4.2
109.10165	13.9
111.08098	2.7
113.09646	2.6
116.54824	1.0
117.07008	4.2
119.08590	17.3
121.06472	1.6
121.10153	25.8
123.11684	1.8
125.09641	2.5
127.11185	1.9
129.07024	2.6
131.08585	5.3
133.10136	11.8
135.08051	1.6
135.11697	33.5
136.48720	1.0
137.09601	3.8
139.11169	1.9
141.09109	4.1
143.08600	2.1
145.10178	5.9
147.08020	1.2
147.11671	7.7
149.13255	11.6
150.57759	0.9
151.11185	19.4
151.12343	1.6
153.12727	2.3
157.10144	1.5
159.11723	3.7
161.13257	12.6
163.11194	6.6
163.14856	3.0
165.12752	2.1
167.10675	2.5
171.11723	2.5
172.44522	0.9
173.13258	2.8
174.03192	0.9
175.14827	2.6
177.12773	3.8
179.14323	100.0
180.14659	1.1
185.13289	2.9
189.12759	3.0
191.14343	1.0
195.13831	2.2
199.14795	2.7
203.14526	1.0
213.16417	1.2
221.15402	3.4
231.21078	1.2
235.16885	6.1
241.19533	2.6
252.55249	1.0
259.20596	9.2
277.21643	41.3
277.24704	2.0
337.82852	1.0
351.25323	55.4
352.25436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01875	2.3
55.05513	19.8
57.03442	17.5
57.07062	4.7
65.03954	2.5
67.05506	55.5
69.06786	1.3
69.07072	16.3
69.58562	8.1
71.04977	2.2
71.08636	53.1
73.06984	1.1
79.05497	48.9
81.03422	7.7
81.06576	2.6
81.07059	52.7
83.04985	12.2
83.08614	10.5
85.06520	2.8
90.81300	1.4
91.05484	31.2
93.07045	55.7
95.04971	10.9
95.08051	2.3
95.08616	33.6
97.06545	10.3
97.10155	4.5
99.08097	38.8
101.32862	1.2
105.07037	19.0
107.04946	10.1
107.07867	1.6
107.08593	28.4
109.06502	4.3
109.10166	19.8
111.08087	2.1
112.67697	1.2
113.09663	3.2
114.20087	1.4
117.07002	5.9
119.08591	18.0
121.09318	1.9
121.10158	31.2
123.08051	1.8
123.11687	2.2
125.09602	2.2
129.06955	1.6
131.08546	4.9
133.10135	13.0
135.08017	1.5
135.11702	36.1
137.09618	4.2
139.11169	2.3
141.09079	2.9
143.08519	2.1
145.10138	4.7
147.11713	7.0
148.30493	1.3
149.09583	1.5
149.13272	11.7
151.11189	18.7
153.12671	2.7
157.10173	2.3
159.02559	1.4
159.11700	4.5
161.13306	13.3
163.11150	6.6
163.14859	2.7
165.12703	1.7
167.10686	3.7
171.11664	2.3
173.13229	1.9
175.14763	2.9
177.12740	3.8
179.14320	100.0
181.12262	1.5
185.13287	3.0
187.47305	1.6
189.12807	2.6
199.14751	1.5
213.16399	1.8
221.15367	3.7
235.17029	7.7
241.19493	1.8
259.20523	9.2
277.21637	45.0
317.22513	1.2
330.88397	1.3
350.73026	1.3
351.25293	54.5
371.63031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	0.6
66.44541	0.6
67.05499	1.3
69.07062	1.6
69.62390	0.5
70.52682	0.6
70.53023	1.9
78.37577	0.6
79.05496	1.6
81.07056	2.4
83.08640	0.7
91.05518	1.3
93.07021	1.6
94.04192	1.3
95.08620	1.5
97.02958	0.6
98.97589	1.0
104.38094	0.5
105.07038	0.8
107.08605	1.3
109.10158	0.9
119.08601	1.6
121.06528	1.0
122.03662	3.0
135.11720	1.0
137.05988	100.0
138.06354	1.0
144.04980	0.7
145.02887	1.1
146.03168	0.7
151.11252	0.8
153.12706	0.8
163.03827	0.7
170.15413	1.8
171.11958	0.9
177.05554	1.9
178.05804	1.8
182.15396	5.0
194.97354	0.7
225.75954	0.5
271.59775	0.6
306.20624	8.5
319.18423	0.6
351.12683	0.7
351.21643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	30.8
59.71769	4.3
61.45517	4.5
67.05517	31.1
69.03402	5.5
69.07079	62.0
69.53939	16.3
69.54350	10.5
70.06615	4.1
71.04980	13.9
73.58735	4.9
79.05499	35.9
81.07059	63.7
81.51049	4.0
83.08619	13.9
91.05489	42.5
93.07042	77.6
95.04983	25.3
95.08616	66.8
97.06520	19.4
97.10149	7.0
98.21479	8.0
105.07035	89.7
107.04913	5.2
107.08609	62.5
109.06538	7.0
109.10171	65.0
111.08064	8.2
115.05473	5.9
117.07021	15.0
119.08591	100.0
121.06528	9.5
121.10154	60.8
123.11753	22.1
128.06276	6.6
129.06996	10.1
130.07814	5.6
131.08572	37.7
133.10136	39.9
135.08038	15.7
135.11694	18.7
137.09709	8.7
137.13228	6.0
142.07787	16.7
143.08591	29.8
145.10126	55.7
146.06059	8.6
146.07213	6.5
147.11725	27.7
149.09639	20.9
149.13321	11.8
155.08553	10.7
156.09341	13.3
157.10120	42.7
158.29498	5.1
159.11688	23.3
161.09631	53.7
161.13287	14.8
169.10097	12.8
171.11720	28.6
173.13318	20.4
175.11273	9.5
175.14796	20.6
177.16374	24.3
181.10123	6.7
183.11731	11.1
184.12302	4.9
185.13239	24.4
187.14799	8.8
188.07010	5.2
189.16382	11.2
189.81456	4.9
194.10902	5.9
195.11755	8.3
197.13223	9.4
199.14818	8.8
201.16431	12.8
203.18013	9.2
209.13326	21.7
211.14830	12.2
227.14371	7.4
237.16412	5.5
239.17929	5.3
241.19484	8.1
267.21109	7.5
351.26859	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	351.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.05504	9.0
57.03424	5.3
57.07077	23.0
64.64121	2.7
66.87186	2.6
67.05507	20.6
69.07062	16.1
70.72824	3.9
70.73141	5.6
72.05514	2.9
79.05484	13.1
81.07053	22.7
83.08624	7.8
83.54907	3.1
91.05476	11.8
93.07038	15.1
95.04953	3.0
95.08611	22.6
97.06541	8.4
105.07039	12.6
107.04951	22.6
107.08602	14.3
109.10154	7.9
117.07009	4.1
119.08582	11.6
121.10123	10.9
131.08586	3.5
133.10161	8.1
135.11668	6.3
145.10107	7.6
147.11662	8.8
149.13202	6.8
151.11154	3.3
159.11662	7.3
161.13242	4.5
163.11201	8.6
165.12701	3.4
171.11690	5.1
173.13225	4.9
173.79660	2.8
180.73131	3.1
187.14844	5.8
194.11778	98.1
198.75107	2.8
219.17422	4.7
235.14597	3.2
241.19409	3.6
250.18033	88.7
259.20508	7.2
264.79453	3.3
277.21652	10.1
306.24298	100.0
320.02542	3.3
350.04108	3.4
351.21497	5.3
351.25449	23.8
351.30579	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	352.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14767	0.5
58.34761	0.5
69.03438	0.6
71.02747	1.5
79.05479	1.5
84.08194	0.6
90.03357	0.6
91.05476	1.9
93.07034	1.6
105.07014	0.7
106.06590	2.7
107.04928	1.1
110.28738	0.6
116.04976	0.9
118.06568	0.8
119.04910	0.8
120.08138	0.6
121.02883	0.8
121.06497	1.0
121.10184	1.3
121.40165	0.6
125.47032	0.5
132.04469	0.8
132.08112	1.5
133.05244	1.4
134.06007	4.7
135.04425	1.7
137.05995	2.2
140.15372	0.5
143.03625	0.7
144.04451	2.0
148.03944	0.9
150.05478	0.9
160.03940	3.9
160.07588	2.2
162.05510	10.7
164.07114	1.1
165.01768	0.8
165.07835	0.7
166.05074	0.6
166.08698	1.0
176.07076	6.2
177.05501	0.9
178.04980	4.7
178.08653	1.1
188.03528	1.0
188.07057	2.1
190.04976	2.6
191.05743	1.4
192.06561	3.4
194.08145	17.1
204.06584	6.5
205.07350	1.9
206.08147	3.4
216.06555	1.4
218.08096	1.7
220.06055	0.9
220.09729	1.7
221.10490	1.6
222.07681	1.0
232.06082	7.5
234.07628	8.9
238.10773	1.1
248.09236	4.4
250.07129	17.1
260.05536	2.2
264.08682	34.4
266.10254	91.4
267.10547	1.1
274.07129	0.8
278.06540	2.1
280.12091	0.6
292.08182	13.8
308.11322	12.8
310.09216	17.6
320.07614	0.8
335.41800	0.7
352.10281	100.0
353.10602	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92696	1.0
61.02924	1.2
61.37517	1.1
69.03417	4.7
71.55844	0.9
71.56245	1.0
72.08154	1.3
75.42806	1.1
81.03398	1.4
85.02919	7.7
86.22484	1.2
97.02882	3.4
97.06532	3.4
103.03971	1.1
103.05471	2.0
115.05533	1.1
117.07001	1.8
118.06553	4.7
121.06505	1.4
127.03907	1.2
128.06219	2.3
129.07016	8.2
129.51053	1.0
130.06540	100.0
131.06877	1.9
132.08087	3.5
143.07349	1.3
144.08092	25.7
144.09213	1.3
156.08081	17.8
158.06944	1.4
159.07784	1.4
160.07495	1.2
168.08060	2.7
171.48289	1.2
172.07558	16.6
174.09148	17.5
177.46103	1.5
186.09177	1.8
187.07475	1.3
188.03749	3.0
190.08643	21.9
202.09473	3.1
204.07307	1.4
212.07877	1.8
214.08693	2.3
229.08521	2.0
230.08929	8.1
232.09689	4.0
247.09689	2.3
248.09999	8.6
267.69040	1.3
316.11722	2.6
334.13193	1.2
352.13992	1.4
354.16910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05510	0.7
56.05034	1.6
57.03419	1.0
60.04516	0.8
61.02919	0.5
65.03931	0.8
67.05496	1.4
69.03423	1.0
69.07067	1.3
69.80092	1.5
69.80499	0.9
70.06598	1.3
71.04999	0.7
72.08157	1.1
73.02905	1.2
74.19373	0.4
74.94293	0.5
81.07054	0.9
82.06586	0.5
83.04972	1.2
84.04503	0.5
84.08162	3.3
85.02905	2.4
85.90968	0.4
86.09702	2.1
87.04480	0.6
87.97044	0.5
91.05486	12.8
93.07060	1.2
97.02920	1.1
98.97581	1.5
99.04459	0.4
100.07627	1.7
101.04002	0.4
101.06020	1.0
105.07043	0.7
107.08597	0.4
109.09460	0.7
109.10169	10.1
110.06056	0.4
110.97577	0.6
112.11262	1.3
116.98669	0.7
117.07031	0.4
118.06566	0.9
119.04957	25.1
121.06512	2.7
124.99016	0.5
127.11216	4.1
129.05504	0.6
129.07034	0.8
129.13960	0.6
129.87251	0.4
130.06541	9.5
130.07500	0.9
130.08557	0.5
132.08099	0.7
133.10118	0.6
137.05954	0.8
137.09641	0.5
142.08656	4.3
144.08089	4.4
146.08153	6.0
147.04422	100.0
148.04779	0.8
149.09618	0.5
149.79001	0.4
151.07545	0.7
155.10698	2.3
156.08142	1.5
158.99721	0.9
163.03943	0.9
165.05464	1.1
172.07559	2.3
173.11769	3.4
174.09198	1.2
175.07631	0.6
178.08678	1.0
179.03407	0.8
179.07076	1.6
179.08981	0.4
188.09193	7.5
190.08653	4.0
194.04622	0.6
203.07426	0.4
204.93156	0.4
232.09645	0.6
233.28690	0.4
237.70749	0.5
238.10728	0.4
240.12338	0.4
244.17149	0.4
248.12334	0.4
250.10764	1.0
255.59166	0.4
260.09216	1.4
260.59317	2.5
261.09390	0.9
270.29944	0.4
288.16373	0.4
292.20239	1.1
301.71756	0.4
306.16940	0.5
334.13089	0.6
352.17801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05510	0.7
56.05034	1.6
57.03419	1.0
60.04516	0.8
61.02919	0.5
65.03931	0.8
67.05496	1.4
69.03423	1.0
69.07067	1.3
69.80092	1.5
69.80499	0.9
70.06598	1.3
71.04999	0.7
72.08157	1.1
73.02905	1.2
74.19373	0.4
74.94293	0.5
81.07054	0.9
82.06586	0.5
83.04972	1.2
84.04503	0.5
84.08162	3.3
85.02905	2.4
85.90968	0.4
86.09702	2.1
87.04480	0.6
87.97044	0.5
91.05486	12.8
93.07060	1.2
97.02920	1.1
98.97581	1.5
99.04459	0.4
100.07627	1.7
101.04002	0.4
101.06020	1.0
105.07043	0.7
107.08597	0.4
109.09460	0.7
109.10169	10.1
110.06056	0.4
110.97577	0.6
112.11262	1.3
116.98669	0.7
117.07031	0.4
118.06566	0.9
119.04957	25.1
121.06512	2.7
124.99016	0.5
127.11216	4.1
129.05504	0.6
129.07034	0.8
129.13960	0.6
129.87251	0.4
130.06541	9.5
130.07500	0.9
130.08557	0.5
132.08099	0.7
133.10118	0.6
137.05954	0.8
137.09641	0.5
142.08656	4.3
144.08089	4.4
146.08153	6.0
147.04422	100.0
148.04779	0.8
149.09618	0.5
149.79001	0.4
151.07545	0.7
155.10698	2.3
156.08142	1.5
158.99721	0.9
163.03943	0.9
165.05464	1.1
172.07559	2.3
173.11769	3.4
174.09198	1.2
175.07631	0.6
178.08678	1.0
179.03407	0.8
179.07076	1.6
179.08981	0.4
188.09193	7.5
190.08653	4.0
194.04622	0.6
203.07426	0.4
204.93156	0.4
232.09645	0.6
233.28690	0.4
237.70749	0.5
238.10728	0.4
240.12338	0.4
244.17149	0.4
248.12334	0.4
250.10764	1.0
255.59166	0.4
260.09216	1.4
260.59317	2.5
261.09390	0.9
270.29944	0.4
288.16373	0.4
292.20239	1.1
301.71756	0.4
306.16940	0.5
334.13089	0.6
352.17801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15248	0.2
55.01865	1.0
55.05502	1.0
56.96575	0.3
59.04994	0.5
67.05502	0.6
68.01399	0.3
69.03437	0.5
69.07072	4.6
69.44256	2.1
71.04965	0.4
71.84045	0.2
73.02920	3.9
73.06565	3.3
79.05479	0.6
80.41762	0.2
81.03435	0.2
81.07066	0.5
85.02902	0.9
91.05468	0.5
92.05037	0.3
93.07076	0.4
95.04980	0.3
97.06530	0.4
98.21128	1.0
103.00437	0.3
105.07040	0.6
106.07354	0.3
106.89577	0.2
107.08614	0.5
109.06559	0.3
118.06559	0.6
119.08500	0.2
120.08112	1.1
121.06505	1.3
122.06076	0.4
123.04414	0.4
132.04443	0.7
133.10162	0.6
134.06021	0.4
137.06009	0.5
137.09674	0.2
145.05077	0.3
145.10175	0.4
146.05933	0.3
158.99629	0.3
164.07074	47.2
165.05432	0.8
166.08629	0.6
178.08673	0.3
188.07066	0.5
189.07544	0.3
196.09723	0.8
197.07999	0.3
207.09908	0.4
222.07501	0.5
223.08383	1.3
238.10706	0.3
278.13879	100.0
279.14236	1.7
310.16476	2.7
311.19952	0.3
352.17389	1.1
352.24832	4.3
353.22842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31124	13.2
70.46386	44.4
128.54417	11.7
146.84622	10.9
168.81886	15.6
173.78864	13.3
194.57137	23.0
277.73410	14.6
295.79739	12.9
353.05978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0846
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.29220	2.3
59.14695	2.3
62.50315	2.2
66.58817	2.4
69.03447	6.2
69.34039	10.1
69.34463	9.7
73.02940	2.4
82.39329	2.2
85.02907	9.8
98.20663	4.9
100.45113	2.2
126.59747	2.3
135.01273	2.3
143.01952	6.9
143.81639	2.5
145.05055	3.8
151.53397	2.6
161.02963	3.4
183.05083	3.4
185.02934	2.4
203.04045	2.9
205.24327	2.3
245.05183	6.7
288.64215	2.4
353.08536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45543	0.6
52.53658	0.5
53.03942	1.4
58.22644	0.6
61.34773	0.5
63.59755	0.5
66.04723	0.8
69.77977	2.4
69.78384	1.2
73.36041	0.6
77.03940	1.1
79.05482	3.3
81.07063	1.5
83.04979	0.6
91.05485	2.2
93.07068	1.1
94.04187	1.4
95.04968	1.5
105.03386	2.0
107.04995	0.8
109.06516	2.9
122.03648	1.4
123.98692	0.5
133.02858	2.4
135.04436	1.1
137.05998	4.2
147.04414	1.3
151.03876	2.7
165.05486	100.0
175.03938	1.7
193.11943	0.8
201.03711	1.2
279.08554	0.7
353.15729	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02410	0.4
53.03946	1.7
55.01863	0.8
60.45520	0.5
65.03944	0.8
66.04709	0.8
69.03436	0.5
69.25566	3.1
69.25971	1.2
71.04974	0.6
77.03924	0.8
79.05503	4.8
81.03423	2.6
81.07064	2.8
83.04981	1.3
84.08177	0.5
91.05489	2.9
93.07054	2.0
94.04171	1.4
95.04976	2.1
103.05449	0.5
105.03393	1.9
105.04530	0.8
105.07035	1.3
105.43132	0.5
107.04939	0.8
107.08595	1.9
109.02879	2.1
109.06550	2.4
111.04453	0.9
112.11217	0.6
119.04977	0.6
119.08587	0.6
121.06516	2.3
121.10163	1.5
122.03639	1.1
127.03965	0.8
131.08578	0.7
133.02866	2.3
135.04465	1.3
137.06001	4.2
137.09673	0.6
145.10120	0.8
147.04433	0.8
149.09625	0.9
151.03964	2.9
161.05998	0.6
163.11122	1.3
165.05489	100.0
166.05838	0.8
167.10603	0.7
175.03926	1.6
180.11574	0.5
191.10670	1.0
191.14249	1.0
207.06310	0.6
241.70123	0.5
279.08569	0.7
293.75449	0.5
353.16113	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	353.1387
Annotation	Daldinone D
Peak:m/z	Relative Intensity
53.03886	0.8
55.01790	0.9
69.07014	0.9
69.31178	2.7
69.31607	3.4
77.41469	0.7
78.04617	0.9
78.94131	0.6
79.05394	3.9
81.06967	2.9
85.02800	3.4
91.05378	3.4
91.05903	1.3
93.06957	1.7
95.04895	1.2
95.08521	1.6
97.02802	0.7
98.97539	1.0
103.05470	6.1
105.06929	3.1
107.04960	8.3
107.08505	1.4
109.02859	0.6
109.06431	0.9
109.10098	1.1
115.05421	1.4
117.03311	1.0
117.06950	1.7
118.04148	4.3
119.04888	1.1
119.08528	1.7
121.06377	3.0
121.10031	1.6
123.04346	1.2
124.05136	1.2
128.06094	2.3
128.06989	0.7
129.06908	1.6
130.04030	2.9
130.04955	0.7
131.04930	13.4
132.05661	1.2
133.06396	2.6
134.90916	0.7
135.04333	1.0
135.07916	1.0
137.05879	2.1
144.05705	0.8
145.06396	1.0
145.10135	0.8
146.03613	1.0
147.04305	2.6
148.05075	1.9
149.06006	1.0
153.05388	0.9
156.05592	0.9
159.04297	0.8
159.07945	1.8
159.11652	1.0
160.05130	0.9
161.05989	4.0
161.07042	0.7
162.06673	1.3
163.07487	1.2
165.05409	0.8
167.07059	21.6
168.05615	0.9
171.07956	1.9
173.05859	1.7
175.07507	1.9
176.04684	6.6
177.05351	2.0
178.07745	0.8
179.06943	1.8
179.08452	1.7
179.63928	0.7
180.06462	2.4
181.06728	2.5
183.90500	0.8
184.05130	1.6
185.05992	0.8
187.07504	0.9
189.06966	3.7
190.06381	0.8
190.07771	7.2
191.07042	54.3
191.08588	2.2
199.07555	8.4
201.07011	0.9
202.07814	3.6
203.08614	8.2
204.09210	2.4
205.06548	1.0
205.10176	4.5
207.07979	2.8
211.88817	0.7
215.06871	0.9
215.08582	10.4
216.09160	0.8
217.06447	1.5
218.07294	15.8
219.07977	5.2
220.08873	0.9
221.05975	0.9
223.07794	1.0
229.06468	4.6
230.07153	1.6
231.08055	8.4
232.08884	7.1
233.06078	1.0
233.09644	23.0
234.06744	1.4
235.07567	6.4
242.07391	1.3
243.08026	6.4
244.08687	1.5
245.05936	1.7
246.06781	10.6
247.07520	6.7
247.11299	0.9
248.08302	2.0
249.09132	3.9
250.06252	1.3
250.09944	4.0
251.10733	1.0
252.07774	1.1
257.05988	7.0
258.06778	1.5
259.07568	6.6
260.08310	8.7
261.09125	31.2
262.09830	3.2
263.06989	8.5
263.10294	1.5
264.07843	1.2
265.08621	1.4
271.07529	2.3
273.06107	0.8
273.09070	4.2
274.06247	9.6
275.06982	6.3
275.10596	3.1
276.07684	2.0
277.08640	6.9
278.09366	14.9
279.10052	1.2
288.07858	2.4
289.08594	58.7
290.09317	17.2
291.06494	4.9
291.10077	4.1
292.07153	1.8
292.10443	1.6
293.08340	1.0
293.11731	12.6
295.09479	1.6
303.10156	3.6
305.08112	3.1
306.08899	14.2
307.09619	5.2
311.09360	1.2
320.10208	1.1
321.11224	100.0
322.11938	7.7
323.09256	3.7
325.14288	2.3
335.33676	0.7
338.11517	3.6
353.10422	5.0
353.13901	68.2
353.22748	4.5
354.14496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69313	1.3
53.03962	1.5
55.05505	4.3
57.03458	1.5
67.05508	3.9
69.03429	8.2
69.07070	3.4
69.17316	1.4
71.04981	4.3
71.56117	1.6
77.60753	1.1
79.05508	6.4
81.03421	2.5
81.07055	6.6
83.04989	2.2
85.02887	2.1
91.05487	7.0
93.07047	4.6
95.04976	3.1
95.08593	2.1
105.07044	11.1
105.73367	1.1
107.04935	2.9
107.08604	16.1
109.06519	2.9
109.10171	5.7
111.04427	1.4
117.06988	3.0
119.08571	5.6
121.06531	4.1
121.10140	9.9
122.07276	4.4
127.03956	3.0
130.05049	2.4
131.08606	2.7
133.10136	100.0
134.10506	1.9
135.08073	6.2
135.11723	2.8
137.05936	1.5
137.09627	44.7
147.08064	1.2
147.11694	4.3
149.09628	7.0
149.13277	8.2
151.11240	1.9
161.09598	1.6
163.11215	2.0
165.05484	15.8
173.13275	6.7
191.14310	29.6
193.12114	2.3
199.02161	3.4
201.03703	11.0
215.09093	1.5
232.74005	1.2
235.14606	1.2
238.74951	1.4
343.74185	1.7
352.74609	8.9
353.15762	68.3
353.19357	3.1
353.24698	2.3
354.16449	1.9
378.62088	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05502	1.1
56.52143	0.3
56.96566	18.4
66.46519	0.4
67.05502	2.8
69.07069	0.6
69.55291	2.2
71.95273	2.9
72.96033	1.5
74.97600	0.6
79.05502	1.9
81.07053	3.4
81.55225	0.4
83.04965	0.4
84.96026	0.7
85.06498	0.4
91.05470	1.5
93.07051	1.8
95.04969	0.4
95.08611	2.9
98.21475	0.7
98.97586	0.8
105.00147	0.5
105.07019	1.1
107.08600	1.4
109.10158	1.3
110.97568	1.7
112.99068	0.5
115.00671	1.2
119.01684	0.6
119.08571	1.1
121.06534	0.4
121.10117	0.8
123.11681	0.7
128.24075	0.3
128.98602	1.1
129.02238	1.0
131.08562	0.7
133.10101	0.9
135.11674	0.7
137.02727	1.3
139.00626	0.4
141.02223	1.0
145.10104	0.8
147.03233	0.6
149.13196	0.9
151.00696	0.5
153.02258	0.8
155.03796	1.9
157.01773	0.4
157.05328	0.4
159.03300	0.8
159.11684	0.4
160.64709	0.3
161.04918	0.8
161.13234	0.4
167.03859	0.7
169.01749	0.4
169.05405	0.9
171.03270	0.9
173.04848	1.8
173.13449	0.5
175.02852	0.4
175.06386	0.7
181.05374	0.7
183.03273	0.5
183.06923	1.1
185.04889	0.8
187.06432	1.8
189.07985	0.8
191.05907	0.5
195.06874	1.9
197.08510	1.3
199.06436	3.1
199.10110	1.2
201.07985	2.1
203.05869	0.5
203.09465	0.5
205.07413	0.4
211.10063	0.5
213.08000	15.6
215.09595	1.4
217.07526	1.8
217.11102	0.8
219.09035	0.6
225.08237	0.4
227.09602	1.1
229.07491	3.1
229.11098	0.5
231.09035	11.6
233.10670	0.6
236.09671	1.4
241.11023	0.8
243.08987	1.3
243.12714	0.6
243.21126	0.8
247.08571	0.7
254.10660	0.9
257.10571	0.4
261.22159	1.9
269.10724	0.9
275.19693	0.4
276.20435	0.7
293.23004	0.9
305.17896	2.4
307.19223	0.7
317.17960	4.1
321.17313	0.9
323.18866	3.7
333.17374	0.9
335.18936	29.7
336.19095	0.6
341.19821	0.9
351.18475	6.9
353.20007	100.0
354.20438	1.3
369.19330	2.1
371.21042	19.0
376.21783	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.05510	7.2
56.05027	2.7
57.03424	1.8
57.07074	7.5
58.90993	1.3
61.02922	1.8
63.61772	1.3
65.03930	2.1
67.05507	27.0
69.03437	7.6
69.07074	16.1
69.35030	12.5
70.06596	8.1
71.04996	28.4
71.08629	3.6
71.22216	1.3
72.08155	2.7
75.50461	1.9
75.96424	1.5
79.05486	5.3
81.03403	3.6
81.07063	100.0
83.04985	5.8
83.08613	2.9
84.08157	15.9
85.02910	13.0
85.06549	46.1
86.09674	2.1
91.05490	12.4
93.07047	4.9
95.04985	4.4
95.08617	80.4
96.08938	1.7
97.02902	5.3
97.10142	2.8
99.08105	12.1
105.07008	2.6
107.04935	3.4
107.08611	4.7
109.02905	2.5
109.06542	1.9
109.10160	10.2
111.04460	4.2
117.03397	4.6
119.04951	5.5
119.08623	2.2
120.08111	2.6
121.06521	3.5
121.10159	2.3
123.04450	2.7
127.03951	2.3
129.05475	1.9
130.08669	2.1
131.08566	2.2
133.02861	4.5
133.10120	3.3
135.04393	3.5
135.08107	2.0
136.07562	1.8
137.05986	14.0
137.09677	1.9
137.13264	20.1
138.09984	2.3
139.03889	2.0
140.08202	1.6
145.02834	16.0
145.21425	1.4
146.05997	3.0
147.04425	3.4
151.03900	2.9
151.07562	4.9
152.10655	1.6
155.10728	2.5
155.14320	98.7
156.11063	4.3
157.05090	1.7
159.10245	2.8
161.02332	3.4
164.07079	4.0
165.05475	9.6
167.07094	2.3
173.11739	1.7
173.15392	60.2
174.12082	3.2
177.05505	22.8
178.08617	2.4
179.03439	9.6
191.14558	3.0
191.16426	23.8
196.09720	2.5
210.16487	1.5
218.07359	3.4
233.09714	3.2
234.11226	4.8
261.09219	3.4
263.07028	2.3
276.96024	1.4
278.09369	2.2
289.08649	2.7
290.21756	1.7
292.10889	2.2
293.11813	3.0
293.15063	4.4
294.09586	2.1
303.17010	4.5
321.11212	3.9
322.69034	1.4
323.09207	2.3
325.07050	3.8
335.12656	1.9
353.06665	3.7
353.13913	12.8
353.16562	8.0
353.20850	5.5
353.24472	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05515	8.4
56.55828	1.1
57.03450	1.7
57.07084	10.1
59.04996	1.3
60.63182	1.0
61.02896	1.2
65.03897	1.1
67.05511	17.5
69.03431	4.4
69.07076	29.0
70.06583	1.8
71.04990	10.6
71.08620	3.0
71.58151	1.0
71.58540	1.4
79.05503	7.3
81.03416	2.1
81.07064	100.0
83.04944	1.1
83.08620	4.9
84.08155	13.9
85.02924	10.5
85.06552	39.4
86.09706	1.5
89.03929	1.5
91.05453	3.3
93.07034	1.8
95.04988	1.3
95.08617	64.9
97.02896	2.8
97.10179	2.0
99.08102	22.3
109.02840	1.7
109.10159	6.8
111.11719	4.9
117.03416	2.6
119.05019	1.4
120.08075	1.7
121.06538	1.6
125.13232	1.5
127.03913	1.8
130.08665	2.0
130.51947	1.2
135.08023	1.2
137.05988	4.9
137.13269	32.0
141.24142	1.5
143.14320	5.7
145.02876	10.4
147.04407	2.2
149.06023	1.7
152.10760	1.8
155.14320	96.4
156.10963	1.5
164.07092	5.2
165.05547	2.9
167.07095	1.7
173.15390	92.7
174.12062	1.7
177.05479	19.6
178.08549	1.1
179.03445	1.4
191.07005	1.9
191.14514	1.4
191.16434	29.8
199.07613	1.3
233.09607	1.3
234.11235	4.1
250.09767	1.4
261.09180	2.7
263.07086	1.6
293.11902	2.0
293.15118	4.6
294.09665	2.4
303.17050	1.6
321.11304	3.6
323.09045	2.0
329.30411	1.1
335.12509	1.4
353.06720	1.7
353.13382	9.9
354.17215	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01867	7.3
55.05512	20.2
57.03430	17.3
57.07071	5.0
59.05028	5.0
59.96323	5.1
61.02933	11.9
67.05497	23.6
68.93449	4.1
69.03432	63.0
69.07066	29.4
70.66203	12.5
71.05002	9.2
79.05500	30.0
81.07060	100.0
83.04978	12.5
83.08607	7.5
85.02908	30.7
85.06547	6.2
87.04474	33.8
91.05474	35.0
93.07049	49.1
95.04974	14.3
95.08615	55.6
97.02899	35.7
97.06511	7.6
97.10177	6.0
98.97577	16.0
99.04449	13.4
105.07037	78.8
107.04974	5.6
107.08598	63.9
108.84431	4.2
109.06521	14.6
109.10158	35.4
111.04449	7.7
115.03959	23.8
117.07021	12.5
119.04891	4.9
119.08585	63.3
121.06501	13.3
121.10140	36.0
123.08081	8.2
123.11729	10.9
129.05463	9.4
129.07014	6.6
131.08582	33.0
133.04964	22.4
133.10129	32.8
135.11700	40.2
137.05981	12.1
139.11143	7.0
143.08557	19.2
145.10115	50.9
147.06503	22.9
147.11665	32.5
149.13263	25.3
151.11263	6.1
155.08516	8.3
157.10129	22.5
159.11691	36.1
161.09575	7.4
161.13292	50.6
163.11183	14.3
163.14827	51.8
165.12767	99.1
166.07709	4.8
167.06993	5.9
169.10126	9.0
171.08112	5.1
171.11722	15.9
173.13275	22.9
175.11259	5.9
175.14850	21.6
177.16405	6.9
183.11697	9.7
185.13258	13.4
187.14865	16.2
189.12666	5.0
189.16402	23.4
191.06927	5.7
195.11606	9.6
197.13260	7.0
199.07477	7.3
199.14798	13.5
201.16396	36.7
203.14357	4.5
203.18002	52.8
205.15967	5.1
209.13371	4.8
211.14848	9.9
213.16418	14.2
215.17981	14.7
217.15695	4.9
219.17418	19.2
221.19017	17.8
223.14867	10.6
225.16504	7.0
227.17967	5.4
231.17451	10.6
233.19144	7.0
241.15971	5.6
243.17558	5.2
245.18993	9.4
253.19624	5.0
259.17017	9.0
277.18021	8.9
281.18774	6.4
287.20001	12.0
289.08627	7.3
295.19022	28.9
299.20142	12.8
305.21231	7.3
317.21149	19.7
321.07645	5.8
321.11209	9.7
323.22086	19.0
334.93924	5.1
335.22128	44.6
335.25809	10.5
353.09882	14.4
353.13876	12.7
353.23172	92.1
353.27689	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.7
53.03937	2.3
55.01881	1.2
55.05259	0.9
55.05514	12.8
57.03440	5.4
57.07076	4.8
65.03936	3.8
67.05508	96.8
69.03433	1.0
69.06714	1.0
69.07069	12.2
69.41582	0.5
70.12479	2.2
70.63354	0.5
71.05013	2.8
71.08633	1.3
75.04480	1.6
77.03951	0.5
77.52980	0.5
79.05499	43.1
81.07061	100.0
82.07388	0.8
83.04982	1.5
83.08620	8.7
85.06553	1.9
89.21786	0.5
91.05486	21.4
93.07050	53.6
95.04977	2.2
95.08611	80.0
96.08947	0.6
97.06541	3.6
97.10165	3.8
98.97628	0.6
99.08121	2.6
105.04520	0.6
105.07038	17.6
107.08601	39.0
109.06537	1.6
109.10162	37.6
111.08074	1.7
111.11732	0.7
113.09629	1.3
117.07021	9.9
119.08591	15.6
121.06542	0.5
121.10148	32.4
123.08090	1.7
123.10807	1.0
123.11719	21.6
125.09663	1.3
127.11217	0.8
129.07036	0.8
131.08574	17.8
133.10147	12.7
135.11705	25.0
137.09647	2.1
137.13263	7.9
139.11223	1.3
143.08615	0.8
145.09035	1.0
145.10138	15.2
147.11700	10.8
149.09668	0.6
149.13272	19.9
151.11220	1.7
151.14842	2.0
153.12759	1.4
157.10109	0.7
159.11707	13.2
160.28658	0.4
161.13281	9.6
163.11241	0.7
163.14832	11.6
165.12804	2.1
165.16435	0.8
167.14384	0.6
167.25685	0.5
173.13280	14.9
175.14848	3.4
177.12779	1.4
177.16382	5.1
179.14340	1.9
181.12315	0.5
181.15884	0.6
187.14838	10.6
189.16411	1.0
191.14336	1.8
201.08994	0.6
201.16383	2.8
203.17879	0.6
205.15916	2.1
209.15462	0.8
215.17949	1.3
219.17416	1.0
233.19054	0.9
233.22662	3.7
243.19257	0.5
243.21104	26.8
261.22156	87.6
262.22498	1.3
263.23737	1.0
279.23157	5.9
293.74484	0.5
317.24973	1.1
335.25815	17.1
353.26917	29.9
354.27066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.3
55.33214	3.7
57.03426	5.6
57.07064	5.3
58.40857	3.5
67.05510	100.0
69.07069	24.2
69.87034	12.2
69.87437	7.4
71.05009	7.7
79.05486	40.7
79.66827	4.4
81.07062	97.5
83.08630	10.4
86.35678	4.0
91.05500	24.7
93.07043	63.9
93.53467	3.5
95.04955	3.5
95.07990	4.6
95.08607	94.3
99.08092	7.6
105.07040	22.2
107.04953	5.7
107.08592	38.4
109.10164	45.5
117.07016	8.9
119.08604	21.3
121.10169	40.8
123.11698	28.7
131.08556	21.2
133.10136	24.7
134.60870	4.3
135.11716	24.5
137.06013	4.4
137.13217	7.6
145.10115	16.8
147.11723	14.5
149.13289	21.7
159.11726	15.0
161.13278	15.8
163.14838	13.0
167.07079	4.7
173.13280	20.2
175.14838	7.3
178.77505	4.1
187.14830	11.3
201.16356	5.4
216.98836	4.1
224.84625	3.7
233.22574	5.4
243.21078	26.9
261.22177	95.5
279.23315	5.8
285.12180	4.0
307.23969	3.9
335.25897	21.4
353.13907	8.5
353.22977	76.4
353.26993	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	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	3.0
55.01882	1.0
55.05513	14.6
56.96565	3.2
57.03441	6.3
57.07077	4.8
60.04525	2.2
60.20203	1.0
65.03946	1.9
67.05510	93.7
69.03442	0.9
69.07077	17.6
71.04993	4.3
71.08635	2.2
77.03982	1.1
79.05497	43.9
81.03442	0.9
81.07063	100.0
82.07394	1.2
83.05006	2.1
83.08621	9.3
84.08142	1.6
85.02924	1.4
85.06549	2.8
89.58144	1.0
91.05484	24.0
93.07048	54.2
95.04980	3.5
95.08614	77.2
96.08982	1.0
97.06543	2.9
97.10193	4.4
98.97610	1.6
99.08119	2.9
99.97648	0.9
100.11284	1.6
105.07040	23.5
107.08601	36.7
109.06528	2.3
109.10165	41.1
111.08080	3.3
112.11282	1.2
112.99120	1.5
113.09621	1.1
115.05449	1.2
117.07044	10.1
119.08588	20.4
120.08909	1.3
121.06483	2.6
121.10152	32.0
121.11031	1.9
123.08111	2.0
123.11715	22.5
125.09612	1.8
129.06973	1.4
131.07602	1.1
131.08583	21.1
133.10141	15.7
135.11714	27.2
137.09624	1.8
137.13286	8.8
139.11113	1.3
143.08553	1.5
145.10136	17.0
147.11696	18.9
149.09706	1.6
149.13274	16.3
151.11267	1.2
151.14819	2.3
153.12698	1.3
157.10251	1.1
159.11699	14.3
161.13284	10.1
163.03952	1.6
163.11160	2.1
163.14830	14.7
165.05508	1.5
165.12776	2.9
171.11754	1.5
173.13281	15.2
175.14876	4.2
177.12759	1.4
177.16383	5.9
179.14389	1.4
187.14822	9.9
191.14291	1.6
196.16971	0.9
201.16490	3.9
205.15897	1.9
208.63026	0.9
215.17940	1.9
216.78328	0.9
219.17525	0.9
229.07521	1.4
233.22729	3.2
243.21098	25.8
259.20355	1.2
261.22156	89.9
262.22516	1.5
263.23654	1.3
277.21420	1.0
279.23172	6.9
291.19559	1.6
294.24362	1.4
297.57327	1.1
335.19104	1.3
335.25836	14.6
353.16190	3.3
353.20068	1.4
353.26669	26.0
354.26608	2.2
374.15421	1.1
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	Unknow
Peak:m/z	Relative Intensity
51.08743	2.0
52.10873	2.0
54.56285	1.7
55.05515	14.8
56.02790	1.5
56.96556	2.8
57.03425	3.9
57.07073	4.4
63.72215	1.7
65.03938	3.8
67.05507	73.2
67.61864	1.6
69.07059	15.5
70.06575	1.9
71.04952	1.9
71.08630	2.0
71.58858	2.7
75.04477	2.3
79.05060	3.2
79.05492	41.7
81.07060	90.6
83.04977	2.1
83.08607	7.8
83.09048	2.0
85.06523	3.4
88.05736	1.6
91.05482	16.7
93.06481	3.4
93.07046	56.3
95.04959	4.0
95.08611	69.4
97.06504	1.9
97.10149	3.9
105.07016	17.0
107.04943	2.3
107.08592	40.7
109.10159	37.1
113.09563	2.0
117.07013	7.7
119.08570	18.2
121.10150	30.1
123.08023	2.2
123.11716	17.7
125.09618	2.2
129.06985	1.9
131.08566	19.4
133.10135	14.3
133.78905	1.6
135.04337	2.2
135.11682	30.5
137.09535	1.8
137.13264	6.5
145.10121	18.9
147.11688	14.1
149.13271	25.5
151.14833	2.0
153.12759	2.2
159.11720	16.0
161.13237	11.8
163.14836	15.2
173.13226	17.2
175.14871	4.2
177.16357	7.5
179.14409	3.1
187.14862	9.1
189.12715	1.7
201.16371	5.3
216.98706	2.0
233.22575	6.4
243.21075	25.5
248.94145	2.1
261.22144	100.0
279.23239	5.0
298.96872	1.8
335.25922	11.3
353.16968	2.7
353.26923	25.9
354.33655	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.62561	0.9
53.03944	4.1
55.05515	12.3
57.03431	5.3
57.07076	7.3
58.98230	0.9
61.02936	1.7
63.08270	1.0
65.03943	2.1
67.05509	90.7
69.07074	12.8
70.15501	3.0
70.15924	2.0
71.04996	2.4
71.08624	4.3
75.69775	0.9
77.03909	1.9
79.05499	54.9
81.07062	90.5
82.07304	1.0
83.04996	1.6
83.08623	10.1
85.06537	3.1
85.10189	1.4
87.27260	1.0
91.05485	25.0
93.07050	69.8
94.07375	1.2
95.04975	4.2
95.08614	75.5
97.06536	3.6
97.10159	2.5
98.97614	1.1
99.08105	6.0
105.04481	1.4
105.07037	20.7
107.08603	41.2
109.06512	2.3
109.09449	2.1
109.10162	27.5
111.08073	2.7
113.09653	3.4
117.07022	9.7
119.06055	1.1
119.08577	13.1
121.10152	35.3
123.08084	1.6
123.11739	14.5
127.11211	1.2
131.08580	25.9
133.10136	15.3
135.08060	1.2
135.11700	26.8
136.01471	1.0
137.09624	2.1
137.13257	9.9
139.11189	2.0
140.24152	1.0
145.10135	16.7
147.11705	11.5
149.13260	23.3
151.14821	5.0
153.12778	2.1
157.10080	1.1
159.11696	12.5
161.13260	10.7
163.11232	2.7
163.14850	17.6
165.12730	1.3
173.13278	16.1
175.14819	3.6
177.12805	2.4
177.16389	8.9
179.14340	2.0
187.14836	11.3
189.16420	1.0
191.14444	1.5
201.16399	3.5
203.14282	1.2
205.15881	1.3
215.17984	1.8
217.19519	1.0
233.22672	7.3
243.21111	35.3
256.90121	1.2
261.22168	100.0
279.23227	3.8
332.15738	5.3
332.65753	2.2
335.25885	13.7
353.27109	13.1
354.33566	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
53.03938	2.5
55.05514	21.0
56.11309	1.7
56.96573	2.3
57.03435	2.8
57.07073	10.1
58.24870	1.9
60.08480	1.7
65.81002	2.1
67.05508	24.3
69.03424	3.1
69.07076	25.5
70.61959	6.6
71.04991	3.1
71.08639	21.6
79.05492	14.2
81.07063	43.8
83.04984	2.9
83.08624	14.2
85.02911	2.4
85.06535	3.1
91.05493	13.2
93.07053	21.1
95.04987	11.3
95.08612	28.5
97.06532	5.2
97.10207	3.2
98.97568	2.5
99.08103	19.0
105.07039	15.9
107.08627	14.7
109.06543	24.6
109.10162	12.9
111.08061	4.5
119.08584	14.9
121.06530	10.3
121.10163	11.6
123.08028	4.4
123.11695	6.8
131.08549	7.1
133.10172	10.2
135.04437	2.4
135.08006	7.6
135.11713	5.9
137.09610	2.7
139.11169	6.1
145.10094	9.4
147.11694	6.2
149.09642	4.9
149.13286	3.5
151.11211	3.6
159.11694	5.7
161.13268	4.9
163.11195	4.4
163.14819	2.5
165.12775	52.3
173.13260	2.3
175.14822	4.2
177.12764	4.6
185.13397	2.3
189.16527	2.1
191.14183	3.3
199.14792	2.2
201.16357	2.7
205.15709	2.0
209.19046	13.3
219.17323	2.5
237.18488	3.6
261.22101	3.4
278.53589	1.8
279.19421	2.1
289.25281	23.2
307.26160	2.7
310.20264	1.9
317.24799	85.7
335.25833	100.0
339.39603	2.1
353.24902	5.5
353.29147	2.9
353.99109	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03956	2.3
55.01860	1.4
55.05513	16.4
55.60902	1.4
57.03429	5.1
57.07074	3.7
65.03940	3.7
67.05505	88.9
69.07074	13.7
71.04998	2.3
71.08568	4.2
79.05496	44.3
81.07059	92.4
83.05022	2.2
83.08615	7.9
86.87649	1.5
91.05479	22.2
93.07045	45.6
95.04997	1.8
95.08611	73.6
97.06551	2.9
97.10141	3.2
99.08141	2.2
105.07027	14.9
107.08598	32.4
109.10162	33.8
113.09674	2.0
117.07034	7.2
119.08576	14.5
121.10155	27.2
121.24616	1.4
123.08071	1.9
123.11720	20.0
131.08549	17.3
133.10129	11.7
135.11697	23.0
137.09647	2.1
137.13287	8.8
145.10112	11.4
147.11693	9.9
149.09595	2.0
149.13269	14.9
151.11208	1.8
151.14819	2.4
153.12732	1.6
159.11699	11.9
161.13275	7.7
163.11205	2.3
163.14812	10.5
165.12860	1.8
165.16368	1.4
167.87300	1.5
173.13255	16.8
175.14755	1.5
177.12773	2.0
177.16446	6.1
179.14432	2.1
187.14835	9.2
201.16426	3.2
205.15926	1.8
233.18990	2.0
233.22731	3.3
243.21098	26.4
245.22765	1.6
261.22156	100.0
278.49539	1.6
279.23175	9.1
335.25851	14.0
351.59879	1.6
353.26920	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	5.2
55.01863	5.9
55.05514	49.1
57.03437	16.1
57.07074	5.8
59.05008	3.1
59.75850	3.4
60.22837	2.8
61.99302	2.8
66.82408	2.5
67.05509	87.1
69.07070	40.3
69.41412	17.3
71.05000	7.5
71.08630	41.1
79.05502	54.7
81.07063	100.0
83.04986	6.9
83.08620	22.6
85.06516	6.5
85.10206	3.5
91.05486	27.2
93.07059	46.6
95.04978	6.8
95.08610	75.6
97.06530	9.6
97.10186	20.6
99.08102	34.6
105.07050	24.2
107.08598	44.5
107.93877	2.5
109.10154	37.3
111.08087	6.2
111.11760	4.0
117.07030	7.4
119.08609	16.0
121.10168	26.7
123.08131	3.1
123.11724	15.7
124.70963	2.8
125.09624	13.0
127.11185	2.9
131.08562	15.4
133.10150	14.9
135.08102	3.3
135.11697	30.3
137.09518	3.0
137.13245	9.3
145.10141	13.1
147.11690	18.1
149.09653	4.3
149.13281	13.6
151.14868	5.6
153.12794	10.3
155.08644	3.2
158.52534	2.6
159.11758	9.0
161.13271	10.2
163.14812	16.8
165.12784	5.2
167.14317	5.6
173.11847	4.6
173.13297	9.5
175.14801	4.0
177.16431	5.2
179.14343	3.6
183.11700	4.7
187.14883	3.9
189.11284	8.8
189.16348	3.6
191.14369	3.0
193.04964	4.4
197.13303	3.8
233.22768	6.7
243.21219	14.4
248.50618	2.9
261.22159	51.2
273.60333	2.9
279.23181	33.2
353.26959	93.7
353.35565	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	2.1
55.01887	0.9
55.05514	13.0
57.03440	6.9
57.07078	4.4
65.03935	3.1
67.05505	87.2
69.07068	12.6
69.56538	2.1
69.56942	3.4
71.04989	2.3
71.08627	2.2
74.11388	0.7
75.04484	1.8
79.05495	36.4
81.07057	100.0
82.92769	0.8
83.08623	9.7
85.06536	2.7
91.05479	18.6
93.07046	49.7
93.38224	0.8
95.04959	2.0
95.08607	74.2
96.08940	1.1
97.06545	3.8
97.10179	4.2
99.08093	2.5
105.07034	16.0
107.08595	34.0
109.06514	1.9
109.10152	39.9
111.08080	2.1
111.11703	1.1
113.09592	1.0
117.07012	7.4
119.08584	14.6
121.10148	33.0
123.08048	1.6
123.11714	24.4
129.07036	0.9
131.08571	19.4
133.10141	12.9
135.11696	26.7
137.09618	1.8
137.13245	8.9
139.11195	1.1
143.10719	0.8
145.10150	14.4
147.11682	11.6
147.12776	1.1
149.09592	0.9
149.13260	22.0
151.11168	2.2
151.14798	2.7
153.12766	1.9
156.60356	0.8
159.11719	16.0
161.13261	10.4
163.11230	1.3
163.14838	16.6
165.12753	2.0
173.13246	15.2
175.14828	3.9
177.12718	2.0
177.16396	6.5
179.14325	2.0
187.13321	1.3
187.14827	9.8
191.07130	1.2
191.14206	1.2
201.16406	2.8
205.15819	1.7
209.15269	1.0
213.24925	0.7
215.18013	1.8
217.19543	1.0
219.17471	1.3
233.19041	0.9
233.22685	3.6
243.21089	31.4
261.22144	97.8
262.22189	1.1
263.23703	1.9
279.23160	7.9
289.08563	1.8
317.24789	1.4
321.11163	2.7
335.25812	19.0
335.29813	1.0
342.91394	0.9
353.13855	1.8
353.26862	33.5
353.30740	1.4
354.27136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.05508	16.5
56.96545	5.7
57.03423	6.6
57.07090	2.7
65.03950	2.7
65.60876	2.3
66.84248	2.4
67.05505	90.5
69.03413	3.1
69.07065	18.0
69.79633	13.7
71.04987	8.2
79.05499	49.4
80.05814	3.8
81.07059	100.0
82.07388	6.2
83.04956	5.4
83.08622	9.5
84.08144	3.5
85.02932	3.0
85.06545	4.4
91.05486	31.0
92.05781	2.9
93.07044	61.4
94.07375	5.6
95.04971	7.2
95.08612	73.2
97.06502	4.8
97.10183	4.0
98.21494	2.9
98.97585	4.1
99.08101	2.9
105.07036	22.3
107.08603	43.7
108.08927	3.0
109.06462	4.3
109.09432	4.2
109.10149	38.7
112.11198	3.6
112.99127	6.9
117.07019	10.1
119.08561	19.1
121.06499	6.6
121.09337	2.4
121.10155	33.1
122.10486	3.7
123.11703	21.7
124.77332	2.2
126.03436	2.5
131.00143	4.7
131.08591	21.3
133.10106	20.0
135.08008	2.5
135.10719	3.1
135.11693	29.9
136.12062	3.9
137.13239	7.5
143.08597	2.3
145.10126	15.9
147.11711	19.5
149.01215	3.7
149.13292	21.9
150.13635	2.6
151.14845	2.8
159.11700	13.6
161.13246	12.3
163.03964	3.4
163.14842	9.8
165.05501	3.6
165.12814	2.8
171.11687	2.4
173.13310	22.9
175.14760	6.6
177.16341	6.9
179.14490	2.7
187.05354	2.9
187.14886	10.7
191.14268	3.4
199.14856	3.2
201.12732	2.6
201.16367	4.2
211.14816	2.5
229.07445	3.0
243.21104	29.0
259.20474	3.8
260.21002	3.4
261.22180	84.1
279.22977	4.6
329.86630	2.5
332.19473	13.0
332.69547	5.4
335.25848	12.4
341.69965	2.8
352.70538	5.5
353.16299	4.6
353.20291	4.6
353.27032	26.8
354.26398	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.02374	1.0
52.63501	0.8
53.03941	2.2
55.01880	1.1
55.05513	13.6
57.03444	7.2
57.07084	4.4
65.03934	2.8
67.05506	95.4
69.07071	14.1
71.04980	2.7
71.08630	0.9
75.04481	1.9
77.03979	1.0
79.05494	43.2
81.07059	100.0
83.04981	1.5
83.08615	8.0
83.73345	0.8
85.06541	2.8
85.50874	0.7
91.05482	19.9
93.07043	53.4
95.04977	1.6
95.08608	76.2
97.06521	3.8
97.10167	3.5
99.08099	2.6
103.03974	0.9
105.07036	14.8
107.08595	36.5
109.06522	1.0
109.10158	38.6
111.08086	1.6
111.11752	1.3
113.09627	1.9
117.07029	8.8
119.08575	13.8
121.10146	32.1
123.08067	1.3
123.11716	20.9
131.08563	19.5
133.10132	12.9
135.11694	26.3
137.09599	1.4
137.13248	7.4
139.11128	1.0
141.14226	0.8
145.10126	13.1
147.11694	10.3
149.09558	0.9
149.13260	23.0
151.11212	2.0
151.14835	2.4
159.11691	12.2
161.13252	10.0
163.14809	11.0
165.12662	1.1
173.13251	14.1
175.14839	3.3
177.16307	5.4
179.14316	2.1
187.14833	9.8
191.14326	1.2
201.16406	2.5
205.15878	1.7
215.18057	1.1
233.18871	0.9
233.22609	4.4
243.21083	26.7
261.22141	93.4
262.22495	1.7
263.23575	2.2
279.23154	8.1
317.24863	1.7
335.25818	18.6
353.26883	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
55.05518	11.5
57.03444	2.5
57.07074	5.6
61.48370	1.5
65.39796	1.5
67.05511	77.4
69.07066	13.4
69.46793	10.7
71.05009	4.1
79.05498	33.1
81.07063	74.8
83.08627	8.1
85.06564	2.1
91.05479	15.1
93.07048	55.6
95.08613	67.3
97.06520	2.5
97.10189	3.2
98.20731	2.0
99.08093	2.4
105.04539	1.7
105.07044	14.1
107.08601	33.5
109.10156	29.9
113.09689	2.0
117.07011	9.1
119.08588	12.6
121.10149	32.2
123.11701	18.7
125.09660	1.9
131.08594	18.4
133.10144	11.7
135.11703	32.5
137.13272	6.5
139.11172	3.0
145.10103	13.7
147.11691	12.8
149.13274	19.4
151.14812	3.1
159.11699	12.7
161.13275	7.2
163.14836	13.8
173.13289	16.0
175.14793	3.3
177.16356	4.8
179.14352	2.1
187.14871	8.8
233.22769	3.4
243.21107	24.3
261.22159	100.0
262.22543	2.0
274.27045	1.7
279.23254	6.3
305.98669	1.7
335.25739	8.3
353.27139	33.8
364.11108	1.8
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
53.03957	3.2
55.05511	11.2
57.03431	3.7
57.07072	4.9
65.03950	2.1
67.05510	69.1
69.07063	11.5
69.59348	7.2
69.59762	3.1
71.04983	3.3
75.04490	2.1
77.03903	1.5
79.05501	39.4
81.07063	75.2
83.08620	6.6
85.06578	1.9
90.89423	1.3
91.05482	19.9
93.07053	54.0
95.04979	2.9
95.08616	62.8
97.06557	2.5
97.10182	1.9
98.20778	2.5
105.07030	12.3
107.08604	39.9
109.10165	35.4
111.08112	1.6
117.07039	9.7
119.08588	12.2
121.10154	31.9
123.11726	16.8
129.75508	1.3
131.08586	22.4
133.10138	12.7
135.11707	24.3
137.09685	2.2
137.13274	7.2
139.11186	2.3
145.10146	16.7
147.11722	8.0
149.13260	18.4
151.11194	2.3
151.14836	2.2
159.11703	12.5
161.13274	7.4
163.14825	12.5
165.12779	2.0
173.13290	15.4
175.14880	2.4
177.16409	5.6
179.14337	2.4
187.14848	10.9
201.16307	3.7
205.15875	2.0
211.52896	1.3
215.18013	1.8
233.22685	4.9
243.21123	30.5
261.22159	100.0
262.22534	2.7
267.48734	1.5
279.23175	2.4
335.25739	8.4
353.20428	1.8
353.26886	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01880	0.8
55.05516	11.1
56.96561	1.9
57.03447	5.1
57.07072	4.6
65.03937	2.3
67.05508	74.5
69.07077	11.2
71.04992	2.7
71.08637	1.4
71.17242	0.8
75.04488	1.8
79.05498	39.4
81.07061	83.9
83.04977	1.9
83.08617	8.2
85.02926	1.0
85.06551	1.8
91.05484	20.7
93.07053	49.8
95.04974	2.4
95.08614	64.2
97.06539	3.0
97.10177	4.9
98.21518	1.5
99.08101	3.6
101.87244	0.8
105.07025	16.3
107.08602	34.9
109.06542	1.2
109.10163	31.7
111.08095	1.9
115.32172	1.0
117.07005	8.4
119.08583	14.4
121.10150	33.3
123.08106	1.8
123.11713	19.5
127.11235	1.4
131.08575	21.0
132.16792	0.8
133.10135	13.7
135.11705	26.0
137.09613	1.7
137.13264	6.8
139.11177	1.0
145.10146	14.8
147.11702	12.4
149.09659	2.0
149.13272	19.7
151.11203	2.4
151.14809	2.1
153.12776	1.2
157.68222	0.9
159.11699	14.2
161.13322	8.9
163.14816	12.2
165.12729	1.3
173.13268	15.9
175.14857	3.2
177.16420	4.3
179.14372	1.7
187.14806	10.4
189.16394	1.2
191.14401	1.6
199.39256	0.9
201.16443	3.3
205.15941	1.1
206.01830	1.0
219.17409	1.9
221.53291	0.8
233.22652	5.2
233.35454	0.8
243.21095	30.5
244.21591	0.9
261.22159	100.0
262.22391	1.5
263.23801	1.1
279.20410	0.8
279.23117	4.8
281.10791	4.6
281.17188	1.0
299.11661	1.1
308.80319	0.8
335.25812	8.9
353.15900	1.5
353.26907	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.05507	11.6
57.03431	2.3
57.07071	6.0
60.84673	1.2
67.05508	69.0
69.07066	10.3
69.18111	1.1
70.74062	3.5
71.04986	1.8
71.08633	5.5
75.04483	1.6
77.03951	1.5
79.05496	48.1
81.07058	66.9
83.08624	6.4
85.06551	5.5
91.05483	25.9
91.06010	2.3
93.07045	64.6
95.04966	4.0
95.08610	59.1
97.06532	4.2
97.10187	3.6
99.08083	6.9
105.07024	19.1
107.08596	37.2
109.06553	2.9
109.10164	24.7
113.09665	3.9
117.07033	7.5
119.08575	14.4
121.10146	32.5
123.11713	12.2
131.08574	20.0
133.10155	9.5
135.11693	22.4
136.12079	1.8
137.13242	8.3
145.10141	14.3
147.11707	10.9
149.13261	23.7
151.11220	2.5
151.14803	2.9
153.12779	1.5
159.11710	9.5
161.13258	11.6
163.11295	3.0
163.14830	16.6
165.43486	1.6
173.13266	18.6
175.14871	2.9
177.16330	6.3
179.14301	2.7
183.11600	1.4
187.14848	8.1
189.16472	2.1
191.14403	2.2
201.16399	3.9
205.15921	2.4
216.03342	1.2
233.19194	1.9
233.22607	6.9
243.21100	36.8
257.72522	1.5
261.22147	100.0
262.22394	2.0
335.25824	5.9
353.26889	11.6
354.33749	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	354.1549
Annotation	AB 3217A
Peak:m/z	Relative Intensity
65.03936	1.0
69.83584	2.7
69.83981	1.3
82.29263	0.6
87.04472	56.0
89.40715	0.7
92.05009	2.0
95.91021	0.8
98.20822	0.9
98.75191	0.7
99.96233	0.7
115.54427	0.6
116.04966	4.6
117.05762	5.1
117.23635	0.6
120.04443	1.2
132.08121	2.3
134.06030	1.8
144.04459	28.2
162.05496	0.8
172.03946	11.5
176.07083	48.5
176.76924	0.8
204.06573	37.9
230.08252	1.1
236.09209	9.7
256.93146	0.7
262.10782	12.8
268.11853	2.0
290.10211	14.6
322.12869	44.6
354.15485	100.0
355.15753	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.7
55.39648	1.6
55.62116	1.5
69.07076	8.4
70.03390	1.5
71.10786	3.4
71.72746	1.6
79.05527	2.5
81.03404	3.3
83.04977	2.3
86.09715	100.0
91.05492	11.1
93.07047	5.0
105.07039	2.4
107.04945	3.6
107.08614	2.0
109.02898	3.6
117.07035	21.9
119.08581	7.1
121.06481	1.7
123.04404	6.9
128.10762	8.7
131.08571	8.4
132.10219	5.7
133.06444	2.3
133.10133	4.2
135.08064	20.9
135.11674	2.0
145.06512	3.2
149.09627	4.7
156.10197	4.0
159.08115	12.3
163.07533	19.2
177.09081	12.6
181.08627	13.6
187.07608	8.7
204.18449	1.7
205.08621	68.8
244.16826	3.8
248.16605	3.2
262.18021	3.9
290.17538	74.5
291.17752	2.7
308.18591	58.3
308.22147	3.3
309.18982	2.1
336.18051	15.6
354.19351	1.8
372.28470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.8
56.96569	9.8
65.62087	3.4
67.05500	24.3
69.07070	8.7
69.61533	24.8
70.06573	10.4
73.79271	5.0
79.05482	10.4
81.07056	23.4
83.08604	4.8
88.07623	12.8
93.07043	8.5
95.08602	15.0
102.09191	5.7
105.07023	6.0
106.08699	5.2
107.08567	10.0
109.10159	11.6
116.75876	3.7
118.00081	3.6
119.08588	11.0
120.35964	3.4
121.10136	7.0
123.11765	4.7
133.10117	8.1
135.11729	5.0
137.05922	8.9
163.03972	4.6
262.22574	4.7
284.10364	5.1
321.11328	4.1
337.14310	4.5
337.27621	5.2
354.33643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	12.7
64.34558	4.7
69.03419	11.6
70.39311	16.5
71.87421	6.0
85.02910	18.6
89.03927	6.2
97.02880	5.2
98.20967	7.6
98.97595	71.3
107.04938	6.0
110.97591	15.9
116.98675	14.6
117.03429	9.4
121.06493	14.9
127.03951	7.2
135.04414	18.5
137.06021	8.0
143.01878	6.7
145.02827	21.4
158.99693	14.6
163.03915	100.0
189.94913	5.0
211.02710	9.7
219.01788	10.9
223.06577	5.3
225.00528	5.4
237.02815	11.7
253.03876	9.9
300.80139	5.3
355.07831	64.8
360.82867	5.9
373.08173	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	355.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77652	8.8
69.03422	17.0
71.26350	16.2
73.02910	22.4
85.02911	71.2
95.10217	9.8
97.02898	35.3
98.97612	47.5
101.00890	18.3
120.81149	9.2
127.03922	22.1
140.73790	12.5
143.01924	11.4
163.03938	18.9
184.05786	40.3
193.06363	13.8
205.05522	17.5
221.03401	11.0
223.06641	24.0
239.04408	31.2
245.05070	12.0
264.07690	21.6
265.07761	41.7
309.58655	10.0
337.04932	12.7
337.09970	15.3
355.07663	100.0
363.44714	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.14564	0.4
57.52676	0.4
60.35960	0.4
61.02911	0.6
63.26945	0.4
67.05522	0.4
69.03426	1.2
70.40188	0.6
70.40520	0.8
73.02911	0.5
77.17322	0.4
79.05482	1.0
79.38837	0.4
83.04964	0.8
85.02907	2.8
86.84846	0.4
89.03915	6.0
96.95760	0.4
97.02888	1.2
98.21500	0.5
98.97565	2.3
102.92768	0.4
107.04969	2.2
116.98658	0.4
117.02604	0.8
117.03388	9.2
119.01934	0.9
127.03903	0.7
135.03391	1.0
135.04424	15.8
137.05981	1.4
145.02832	11.1
163.03909	100.0
164.04259	0.7
184.05818	0.6
192.71246	0.4
205.05559	0.4
221.03325	0.5
223.06660	1.3
239.04355	1.2
265.07553	0.5
280.72046	0.4
284.10590	0.5
305.11530	0.8
337.10123	0.6
355.07614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.07358	0.2
63.02377	0.4
69.62997	0.9
69.63407	0.5
79.05473	0.8
83.04978	0.5
84.77917	0.3
89.03928	5.1
95.04969	0.4
98.21471	0.6
107.04952	1.7
117.03387	8.0
135.04422	16.0
145.02856	11.7
145.03833	0.3
163.03912	100.0
164.04268	0.9
246.04280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
67.05491	0.3
70.67951	0.8
78.07463	0.4
79.05472	1.3
89.03913	6.9
95.04993	0.4
107.04945	2.1
117.03378	10.3
121.06578	0.5
122.06023	1.2
135.04414	17.0
137.05969	1.2
145.02847	13.2
145.04002	0.8
150.05495	0.9
151.03821	0.7
152.07089	0.5
154.10603	0.3
163.03905	100.0
164.04231	0.6
170.08099	0.9
177.82664	0.4
181.05011	0.4
193.04982	4.4
201.05539	0.9
256.55688	0.4
296.70480	0.4
337.14005	0.6
355.13782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98309	0.3
55.95138	0.3
56.46597	0.3
61.55550	0.3
63.68604	0.3
70.93560	0.7
79.05488	1.2
83.04956	0.6
89.03403	0.5
89.03927	6.2
95.04945	0.4
97.78379	0.3
98.20923	0.4
107.04967	2.0
111.04453	0.5
113.58598	0.3
117.03380	8.7
120.76510	0.3
121.06480	0.4
127.03828	0.4
135.04427	16.0
139.03864	0.3
145.02852	13.4
163.03911	100.0
164.04198	1.0
231.15599	0.3
240.92950	0.3
310.05630	0.3
355.05002	0.3
355.10132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01871	1.4
55.05517	1.4
56.96567	1.2
61.01139	2.7
65.03937	2.3
67.05502	3.8
69.03424	1.6
69.07059	4.5
70.19887	4.8
71.04975	2.0
79.05489	8.9
81.07069	7.2
83.08618	2.0
85.02937	1.2
89.03939	1.8
91.05476	8.8
93.07043	4.2
94.04182	2.4
95.04966	3.9
95.08605	6.6
97.02857	1.9
97.10175	1.4
98.20787	1.1
98.97581	2.7
99.04455	1.5
103.05466	3.1
105.03374	2.6
105.06978	2.0
107.04946	3.8
107.08596	2.6
108.05772	1.4
109.06515	3.6
109.10138	4.7
115.05463	14.1
117.07033	3.5
119.04929	1.6
119.08542	1.9
121.06523	3.0
122.03629	4.1
123.04469	2.0
128.06216	1.4
129.07021	2.8
131.04903	3.9
131.08572	1.4
133.03099	3.4
133.10173	2.2
135.04428	100.0
135.11655	1.8
136.05211	2.7
137.05986	61.4
143.04909	9.5
144.05707	4.8
145.02882	1.8
145.06438	2.6
147.04407	1.3
147.08028	1.6
147.11719	2.0
149.02382	1.7
149.06049	3.1
151.03894	4.3
151.07561	32.1
151.11200	1.7
153.05424	2.2
153.98145	1.5
155.04924	1.7
157.06567	2.6
158.07269	3.6
158.99590	1.2
160.05208	15.6
161.05984	4.2
163.03908	4.6
163.07521	3.6
165.05463	3.7
165.09082	2.1
167.07062	3.1
172.05200	3.9
172.08841	2.0
173.04665	1.6
173.05977	8.4
174.06813	4.2
175.03996	1.9
175.07556	35.9
177.05545	5.9
177.09137	4.3
179.07018	5.0
179.08420	1.5
181.06531	1.8
185.06010	2.6
186.03198	2.0
187.03868	2.4
187.07576	14.7
188.04732	1.7
188.08311	5.4
189.09114	7.0
190.07809	2.1
191.07002	2.7
191.08586	4.9
193.06503	1.7
193.08606	2.2
198.06694	1.5
201.05475	18.5
201.09120	18.8
203.07027	42.6
203.08472	2.1
203.10461	6.2
205.06549	2.4
207.08040	2.3
208.08765	2.4
209.06117	1.6
210.06802	1.9
211.07498	4.4
213.05531	2.4
213.09154	2.5
215.07037	9.5
217.08423	2.3
218.07263	4.3
219.08145	11.3
220.05377	1.6
221.05989	2.7
225.09073	3.9
226.06242	2.5
227.06989	3.3
231.06334	6.1
231.10054	10.2
232.08652	1.4
233.09564	3.5
234.06766	3.4
235.07559	5.8
236.08286	3.1
237.09056	1.6
239.06976	5.6
239.10777	1.4
241.08575	14.8
245.09612	2.4
246.10539	2.2
247.07574	9.1
248.04814	1.7
248.08347	4.4
249.09097	3.8
251.07074	3.9
251.10658	8.8
252.07838	2.4
253.08543	3.8
254.09424	13.3
255.06432	6.6
255.10278	1.5
259.07571	2.4
261.09140	8.7
262.06165	4.1
262.09906	5.2
263.07053	5.3
263.10712	4.2
264.07794	6.8
265.08575	1.9
267.10104	3.5
269.08023	11.8
270.08908	8.3
274.09824	5.6
275.07230	2.1
275.10635	3.9
276.07776	3.9
277.08582	7.5
277.12228	4.4
278.09268	2.8
279.06848	2.5
279.10165	14.8
282.08844	2.3
284.07489	2.3
284.10458	29.9
285.11206	25.9
289.08652	1.9
290.05740	2.1
290.09351	4.4
291.10132	12.4
292.07150	1.7
292.16281	1.5
293.11584	4.8
294.08734	3.7
295.09525	5.5
297.11145	8.3
305.08136	3.8
305.11719	19.1
306.08939	1.9
306.12503	16.7
307.09616	5.4
309.11285	10.1
310.12015	7.8
311.12671	1.3
319.09625	3.1
319.26208	3.1
322.08475	2.5
322.11920	7.9
323.08987	4.7
323.12579	2.0
325.10861	2.7
325.14355	9.6
327.12253	2.3
327.15826	2.5
337.10635	43.2
337.14380	29.3
337.27435	3.7
355.11563	17.2
355.15475	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	355.1542
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
53.07241	0.5
55.01868	0.7
62.90687	0.5
69.74149	1.6
78.04720	1.3
79.05498	1.9
89.88519	0.4
91.05482	6.8
94.12791	0.5
95.04971	0.7
98.21436	0.5
103.05474	2.3
104.06262	0.9
105.07034	6.8
106.04181	0.6
107.04953	2.4
115.05449	6.4
117.07023	4.7
118.04130	0.9
119.08598	7.1
121.50957	0.4
122.03707	0.5
123.04417	2.8
124.05248	1.3
125.19241	0.5
128.06271	2.5
129.07025	4.8
131.04944	2.0
132.05730	6.0
133.06499	5.7
135.04431	0.6
137.06007	2.3
140.06253	0.5
141.06998	11.5
145.06464	2.1
146.07259	0.6
147.04439	0.8
147.08057	19.2
147.09232	1.0
151.03926	1.8
152.04700	0.6
157.06505	1.4
158.07286	1.4
159.08098	0.6
160.05244	4.9
161.05994	10.1
167.07057	46.0
168.07417	0.5
169.06512	16.6
173.05994	0.6
173.09709	0.7
174.58568	0.5
175.07562	100.0
176.07855	0.9
186.06776	1.8
187.07578	2.4
189.09154	2.6
191.07053	3.0
193.08624	25.3
201.05486	1.7
201.09131	6.5
220.08755	0.8
231.08105	0.9
247.07675	0.5
248.08267	0.5
259.07526	0.9
262.06171	0.6
263.10654	1.3
265.08603	0.6
276.07834	0.6
280.11041	0.5
291.10129	1.1
295.13220	0.9
301.05310	0.5
323.12717	1.4
337.10709	0.6
337.14554	0.7
355.15421	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.7
55.05510	3.1
65.03954	2.5
67.05515	2.9
71.05003	5.3
71.56094	2.2
72.23699	1.9
79.05502	6.1
81.03382	2.0
81.07068	6.3
84.08124	1.9
86.06077	18.6
86.09721	4.8
91.05486	8.9
93.03413	3.0
93.07060	12.0
94.04215	3.2
95.04946	3.6
103.05499	3.3
105.07040	4.1
107.04966	4.1
107.08598	4.5
109.06517	4.8
111.04453	2.1
112.11210	2.5
112.39150	1.9
115.05501	2.6
117.07053	4.4
121.06511	25.7
121.10214	3.1
122.03654	7.9
129.07057	6.0
131.08626	2.2
133.02910	5.5
135.04390	2.4
135.11705	2.7
136.05226	10.0
137.05989	100.0
139.07527	2.3
145.06479	3.4
147.04373	2.0
149.06006	3.2
150.05585	3.3
151.03935	6.8
151.07564	67.0
153.12791	2.5
157.06531	10.2
158.07317	4.9
159.08109	2.0
160.05215	6.2
161.06010	3.1
163.03992	2.2
163.07568	4.4
163.11136	2.8
165.05510	6.7
165.09094	4.5
171.08066	2.9
172.08833	4.2
173.05997	4.8
174.06801	6.8
175.07561	18.3
175.14772	2.1
177.05486	8.6
177.09111	6.1
179.07120	10.2
181.06425	3.1
182.07219	2.3
184.08337	1.9
187.07584	15.9
188.08385	13.0
189.09113	19.4
190.09778	2.1
191.07033	5.3
191.10699	3.4
194.08205	14.8
198.06923	2.2
201.09145	45.1
202.07843	3.4
202.09904	2.5
203.08743	3.8
203.10616	16.2
206.09103	3.4
210.06760	5.9
211.07576	10.8
212.76376	2.3
213.09166	5.9
217.08601	5.1
219.08112	7.4
225.09175	8.0
225.24872	2.0
226.06261	7.3
227.07059	8.8
231.08115	6.5
231.10216	23.7
233.09741	11.8
235.07552	3.6
237.09242	2.7
238.13531	2.0
239.07095	11.1
239.10809	2.4
240.07895	3.0
241.08612	35.1
242.09435	1.9
245.09644	3.9
246.10382	5.1
247.07661	10.9
248.08270	4.8
249.09091	3.1
251.10797	4.6
253.08672	9.5
254.09406	32.1
255.06638	8.0
255.10236	2.6
261.09146	15.2
262.09915	15.9
263.07150	4.2
263.10641	10.3
264.07791	2.2
265.08899	3.2
265.12238	2.4
267.10287	4.1
269.08105	29.8
270.08853	20.4
273.08987	2.2
274.09894	7.9
275.07291	4.2
275.10660	10.3
276.07846	6.8
277.08789	4.2
277.12259	12.1
278.09332	4.4
278.12668	2.0
279.10263	7.0
281.08130	2.9
282.08966	5.0
284.10461	84.0
284.13641	4.3
285.11249	51.4
290.09338	9.5
291.10187	33.2
291.17841	3.6
293.11786	12.0
294.12585	6.6
295.09659	6.6
295.13071	3.0
297.11285	19.0
303.46906	2.4
305.11761	43.6
306.12476	33.3
307.09714	13.4
307.12747	2.5
309.11261	3.4
310.12027	19.9
311.12790	5.3
314.13934	7.4
321.11188	2.7
322.11948	16.0
323.12732	2.9
325.14435	22.3
327.15955	4.3
329.46008	2.2
337.10294	4.1
337.14352	67.5
337.20941	2.8
355.15298	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	355.154
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
54.99337	0.3
55.01868	0.7
65.03928	0.5
71.58245	0.4
78.04710	1.4
78.65093	0.4
79.05509	2.2
84.65556	0.4
91.04974	0.5
91.05489	7.3
95.04984	0.5
103.05463	1.6
104.06245	1.4
105.07033	6.9
106.04145	1.7
107.04951	2.6
107.08583	0.5
114.54092	0.5
115.05453	6.1
117.07024	6.8
118.04143	1.3
119.04986	0.4
119.08595	6.2
121.06547	0.8
123.04427	3.3
124.05196	0.9
128.06229	3.0
129.07008	5.8
130.04128	0.7
131.04921	2.2
132.05699	6.1
133.06493	6.0
134.03593	0.6
135.04416	0.9
137.05977	2.5
138.06339	0.5
141.06992	12.9
145.06464	2.4
146.07211	0.6
147.04395	0.9
147.08047	20.4
149.05962	0.5
151.03934	2.7
152.04703	1.1
155.06027	0.6
157.06485	1.2
158.07243	0.8
159.08025	1.0
160.05209	4.9
161.05988	10.1
163.03885	0.6
163.07552	0.5
167.07043	48.6
168.07411	0.6
169.05017	0.8
169.06487	16.6
170.07170	1.1
173.05948	0.6
173.09622	0.8
174.06732	0.4
175.07552	100.0
176.04578	0.4
176.07880	1.1
178.06270	0.5
180.07820	0.4
181.08499	0.5
185.06007	0.5
186.06764	1.3
187.07506	2.1
189.09091	2.7
191.07039	3.0
193.08617	26.4
201.05446	2.2
201.09120	6.4
203.08569	0.8
231.08112	0.8
233.06018	0.4
233.09485	0.4
234.06592	0.6
235.10442	0.4
238.18083	0.4
248.08394	0.6
259.07541	0.6
261.09140	0.4
263.10593	1.3
276.07870	0.8
277.08502	0.8
291.10022	1.0
295.13327	0.6
305.08054	0.5
307.09384	0.5
317.33359	0.4
323.09177	0.5
323.12686	1.4
325.10577	0.6
337.10660	0.9
355.15408	31.5
356.16089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1542
Annotation	Vismione B
Peak:m/z	Relative Intensity
52.19474	1.0
62.39231	1.1
64.55364	0.9
65.03922	1.0
71.04998	4.8
71.48200	1.3
75.90742	0.8
79.05486	2.6
81.07037	1.5
91.05489	7.9
94.04171	3.8
103.05427	1.3
103.83268	0.8
107.04959	6.5
108.05703	1.1
109.06493	2.4
111.63841	0.9
115.05464	2.2
117.07013	1.7
119.04901	1.9
121.06483	2.3
122.03650	8.1
125.06026	1.2
128.06204	2.7
129.06984	4.9
131.04903	2.5
131.08527	1.1
133.02837	3.8
135.04381	2.5
136.05191	7.3
137.05984	100.0
139.07484	1.3
141.06966	1.8
143.04939	2.1
143.08624	1.6
144.05699	2.0
145.06447	2.9
148.05141	1.2
149.05962	3.8
150.06754	1.2
151.03958	1.5
151.07547	70.4
152.07899	1.6
153.05479	1.7
157.06506	10.3
158.07266	5.5
159.04413	1.2
159.08098	1.5
160.05190	4.3
161.05998	2.0
163.07509	4.5
165.05473	3.6
165.06857	1.3
165.09148	4.2
167.07074	1.6
169.06430	0.9
171.08052	2.0
172.05185	2.4
172.08812	5.3
173.05980	4.6
174.06760	8.0
175.07558	18.5
177.05464	7.3
177.09105	4.9
179.07008	10.7
181.06454	3.6
182.07233	2.2
183.08022	1.2
186.06815	1.8
187.07552	16.3
188.08333	14.9
189.09116	18.0
191.07013	4.8
191.08658	1.2
191.10666	2.3
193.08591	2.6
197.05951	1.8
198.06766	4.1
199.07509	3.2
201.09120	48.9
202.07744	1.8
202.09625	1.7
203.08731	1.5
203.10654	16.6
205.06573	1.1
205.08545	1.8
207.07985	1.3
208.08925	1.2
209.05975	2.0
210.06787	5.5
211.07553	9.6
213.09169	6.9
215.08595	3.3
217.08540	6.1
218.07233	1.9
219.08133	8.5
219.10095	1.9
220.08795	1.7
221.09641	1.2
223.07402	1.4
224.08267	2.0
225.09099	10.4
226.06235	6.7
227.07010	9.5
230.07365	1.4
231.08069	5.9
231.10175	23.2
232.08859	1.6
233.09641	8.9
234.10417	3.0
235.07484	4.3
235.11165	1.1
236.08275	1.6
238.09976	1.1
239.07004	9.8
239.10712	1.1
240.07837	3.5
241.08604	42.0
242.09264	1.8
244.08778	1.6
245.09668	4.6
246.10402	7.9
247.07535	10.6
248.08345	5.4
249.09134	3.3
251.06940	1.1
251.10677	4.0
253.08612	9.6
254.09396	35.4
255.06543	9.1
255.10100	3.1
259.07623	2.2
260.08215	1.6
261.09109	14.7
262.09894	14.5
263.07013	3.2
263.10635	11.7
264.07852	4.4
264.10831	1.4
265.08575	1.8
265.12219	2.4
267.06885	1.2
267.10172	6.1
269.08096	34.0
270.08850	19.7
273.09039	3.3
274.09869	10.4
275.07425	4.2
275.10645	7.1
276.07806	6.7
276.10690	1.2
277.08688	3.0
277.12228	11.6
278.09393	4.4
279.10147	12.3
280.10950	1.2
281.07816	1.5
282.08945	6.3
283.09583	2.2
284.10443	90.4
285.11221	62.7
286.11526	1.2
289.08737	2.0
289.12122	1.3
290.09296	11.5
291.10181	30.5
292.07401	2.5
292.10681	1.5
293.11716	10.3
294.12482	6.2
295.09726	7.0
295.12930	1.4
297.11227	25.8
298.11987	1.5
305.11722	47.7
306.09006	2.2
306.12485	37.8
307.09723	14.4
307.13040	2.0
308.10275	1.8
309.11163	3.3
310.12000	16.9
311.12766	5.5
319.13403	1.7
321.11258	2.3
322.12000	20.8
323.12680	1.9
324.13531	1.1
325.10690	1.4
325.14359	24.7
327.16058	4.6
337.14352	84.6
338.14569	2.3
355.15387	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	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
58.28933	0.2
70.03531	1.2
74.92590	0.3
85.02904	0.3
91.05527	0.3
93.07043	0.3
121.06493	0.5
134.55132	0.3
137.05977	0.6
143.01823	0.4
170.38942	0.3
201.03772	0.5
201.05444	0.3
217.80023	0.2
355.17294	100.0
356.17545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1727
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
67.15435	0.5
70.32397	1.9
71.04992	1.7
75.66801	0.4
83.08643	0.8
86.09707	1.2
87.10003	0.5
92.51479	0.6
98.21146	1.1
137.05988	0.7
151.03900	0.8
161.48860	0.5
162.06776	0.6
163.04054	0.6
175.94818	0.5
193.04959	1.0
201.03723	9.4
203.05280	67.6
305.11563	0.5
309.18961	0.6
355.17285	100.0
356.17572	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2845
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.40788	2.0
53.03947	2.4
55.05514	30.1
57.03432	7.5
57.07075	13.6
63.47609	2.2
67.05505	83.2
69.07072	43.8
69.51822	16.9
71.08625	6.6
79.05492	25.4
81.07058	100.0
83.08634	29.1
85.06551	2.9
91.05489	20.5
93.07037	29.1
95.08612	86.1
97.06510	4.5
97.10185	16.3
97.46996	2.0
99.08096	3.9
105.07034	12.6
107.08601	20.9
109.10162	45.1
109.17228	2.2
111.08073	4.0
111.11689	4.3
119.08588	19.6
121.10159	26.9
123.11702	24.7
125.09652	4.7
132.73154	2.2
133.10124	19.4
135.11700	17.8
137.09586	3.2
137.13220	11.2
141.12753	3.9
147.11699	13.3
149.13309	15.3
151.14795	9.3
155.14394	2.7
161.13252	13.4
163.14885	11.0
165.16394	9.3
175.14841	12.3
177.16396	4.2
179.17918	4.6
188.37862	2.7
189.16466	4.7
203.18001	3.3
237.22047	2.8
245.22665	48.7
263.23706	42.8
284.10623	2.4
337.27383	41.6
355.17249	7.3
355.28415	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
55.05515	31.9
57.03439	9.0
57.07077	12.7
65.03950	2.5
67.05508	80.5
69.07072	35.1
69.40268	11.4
69.40678	4.5
70.06590	2.3
71.04990	3.8
71.08641	6.6
77.84074	1.8
79.05499	24.3
81.07060	100.0
81.96578	2.0
82.80144	1.9
83.05014	2.3
83.08623	27.7
85.06564	4.5
86.62486	2.3
88.07619	2.2
91.05472	22.9
93.07046	35.5
95.04958	2.4
95.08614	93.4
97.06543	9.3
97.10175	18.8
99.08066	3.7
104.99915	2.1
105.07039	18.6
107.08589	23.0
108.15235	2.2
109.06604	2.0
109.10168	44.2
111.08118	4.8
111.11735	5.5
117.06973	2.4
119.08577	23.5
121.06584	2.4
121.10147	33.0
122.03642	2.7
123.08051	2.1
123.11705	25.3
125.09698	3.9
127.11158	2.4
129.05460	1.9
131.08543	2.6
133.10138	21.0
135.04391	2.5
135.11696	18.1
137.05995	24.9
137.09647	2.2
137.13278	12.8
143.08707	2.3
145.10086	3.5
147.11693	15.4
149.13278	16.9
151.07564	13.5
151.11189	2.5
151.14828	6.1
157.06520	2.1
161.13272	14.8
163.03922	3.4
163.14836	14.8
165.12817	2.1
165.16406	9.8
174.06796	2.5
175.07600	6.0
175.14841	12.6
177.09131	4.0
177.16371	3.9
179.07060	3.1
179.17946	5.8
187.07506	2.5
188.08249	3.1
189.09103	6.2
189.16400	6.9
201.09108	11.6
203.10669	4.3
217.08670	3.4
219.07901	2.5
225.09001	2.9
231.10181	4.3
241.08650	8.8
245.22643	51.6
246.22989	3.0
254.09375	4.6
262.10001	3.1
263.23721	58.5
269.08167	6.8
270.08902	5.7
279.10309	2.5
284.10483	19.6
285.11261	14.6
291.10165	5.2
293.11911	2.7
294.12793	3.1
297.11203	3.4
305.11786	12.2
306.12549	7.8
309.25824	4.5
310.11981	5.9
322.12061	4.3
325.14420	3.8
337.14343	19.2
337.27353	38.9
355.11462	3.1
355.14926	10.6
355.26224	6.6
355.29306	3.7
355.33838	3.9
356.35333	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	355.2845
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.00677	2.1
53.03949	3.8
55.01853	2.6
55.05516	30.8
57.03439	7.2
57.07088	14.9
61.22121	1.9
67.05511	90.4
69.06722	3.1
69.07073	40.5
71.04993	3.9
71.08630	6.4
79.05502	26.5
81.07066	100.0
83.04956	2.7
83.08625	29.1
85.06514	2.3
85.10208	2.8
91.05486	16.0
93.07050	30.9
95.08615	87.4
97.06529	10.3
97.10174	22.0
99.08098	5.0
105.07033	14.4
107.08608	20.6
109.06528	2.9
109.10172	46.0
111.08050	3.7
111.11703	7.7
113.09647	1.9
117.06994	2.4
119.08598	15.5
121.10158	27.4
123.11707	23.2
125.09673	3.0
125.13277	4.6
132.21063	2.1
133.10146	20.3
135.11705	13.9
137.06006	8.4
137.09579	2.6
137.13252	9.2
141.12753	2.2
143.08530	1.9
147.11713	11.0
149.13268	14.7
151.07610	5.0
151.11218	2.7
151.14847	8.0
153.12769	2.0
161.13301	15.2
163.03922	2.1
163.14824	11.9
165.16412	8.5
175.14824	11.4
177.16396	3.6
179.14322	2.5
179.17944	6.3
189.16377	5.4
201.09183	3.4
207.17596	2.4
217.19594	2.3
241.08670	2.4
245.22675	50.5
263.23700	57.5
269.08371	2.5
284.10614	5.7
285.11337	4.2
303.85141	2.0
305.11804	4.1
315.16281	2.8
325.14594	2.9
333.17474	4.8
337.14417	7.3
337.23627	3.6
337.27411	39.3
355.17355	9.3
355.28528	9.6
355.34003	15.1
356.27744	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
52.56120	2.0
55.05512	21.5
57.03434	5.3
57.07077	12.8
62.81231	1.7
64.58926	1.7
65.03906	2.3
66.23363	2.0
67.05505	73.1
69.07069	34.1
69.69666	10.2
71.04980	2.5
71.08615	7.0
72.08145	1.8
79.05057	2.5
79.05495	26.8
81.07059	100.0
83.04987	1.9
83.08613	25.9
85.06539	3.2
85.10171	6.3
87.51228	1.7
87.99236	1.6
88.07642	1.9
91.05486	20.4
93.07043	22.5
95.04952	2.3
95.08605	82.3
97.06519	8.9
97.10172	20.0
97.19818	2.0
105.07025	15.4
107.04977	2.3
107.08600	21.3
109.10149	45.1
111.08049	3.2
111.11732	3.0
113.09618	2.2
119.08585	12.5
121.10143	27.6
123.08038	2.3
123.11709	28.1
125.13232	2.6
131.08577	2.0
133.10150	14.8
135.11714	18.1
137.05969	14.5
137.09581	3.0
137.13277	11.4
141.12685	2.6
147.11647	14.1
149.13257	13.2
151.07594	10.9
151.14799	7.3
161.13254	12.3
163.03894	4.5
163.14827	13.3
165.16386	7.2
175.07513	3.9
175.14857	12.7
179.17993	4.4
188.08356	2.0
189.09167	2.9
189.16348	8.2
198.18533	4.0
201.09050	4.5
203.17873	2.8
217.19514	3.3
225.09094	2.4
231.10120	3.6
241.08635	4.7
245.22635	48.7
254.09315	5.3
263.23712	54.5
269.07907	2.6
270.09152	2.1
277.08539	2.5
277.12146	2.5
279.09933	2.9
284.10510	9.9
285.11154	5.8
291.10236	3.8
305.11731	6.7
306.12415	3.9
310.11838	2.8
322.11859	3.2
325.14261	2.4
337.14276	9.1
337.27365	28.7
355.15649	6.5
355.28690	7.1
356.35406	11.2
369.26132	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
55.05515	30.3
57.03449	5.3
57.07084	16.4
64.69550	2.7
67.05510	74.4
69.07069	36.1
69.32951	4.1
69.33356	20.2
71.08638	6.3
77.75809	2.7
79.05489	21.0
81.07059	97.2
83.08632	25.7
85.10158	4.6
91.05472	15.6
93.07043	32.6
95.08611	87.4
97.06532	12.4
97.10184	17.2
98.21502	5.2
99.08096	4.2
105.07039	15.8
107.08590	18.8
109.10168	46.6
111.08099	4.0
111.11748	5.5
119.08587	15.2
121.10151	31.6
123.11720	24.6
124.77574	2.6
125.09634	3.8
129.05542	3.5
133.10126	20.8
135.11711	17.4
137.05984	7.4
137.13301	8.8
147.11708	10.2
149.13252	14.3
151.07556	5.8
151.14871	5.9
161.13264	17.4
163.03902	3.4
163.14836	13.5
165.16431	12.0
175.14854	10.5
175.54846	3.1
176.20122	2.8
179.17935	5.9
189.16411	9.3
197.90594	2.5
201.09163	3.1
217.19585	3.0
245.22662	55.3
245.24959	4.4
247.24313	3.5
260.72165	2.5
261.09369	2.7
263.23706	58.7
269.07742	3.1
284.10538	6.2
291.10254	3.8
305.11761	4.4
337.14362	5.6
337.27448	31.8
355.17374	45.3
355.28296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68613	1.0
53.10302	1.0
58.27367	0.9
68.44904	1.0
69.03418	1.4
69.74540	6.6
70.06586	2.2
79.05488	1.3
87.04465	1.4
91.05457	1.1
93.07030	1.3
97.02827	1.1
98.20779	1.8
98.97587	1.0
107.04932	1.6
117.03374	1.3
118.03745	1.6
118.97530	1.0
119.05025	1.1
121.06483	3.4
128.04918	1.5
130.06516	1.8
135.04388	3.4
136.04753	3.1
137.05998	8.1
142.06494	3.5
144.04454	6.6
145.02863	1.6
146.03178	1.9
146.05934	2.3
150.29575	1.0
156.04388	2.1
158.06032	2.4
162.05434	2.1
163.03917	14.6
164.04265	19.1
170.06030	13.4
172.03926	2.9
174.05461	4.4
176.07039	4.6
178.04987	1.2
184.03880	3.3
186.05461	1.6
188.07042	2.6
198.05544	5.0
200.67528	1.0
202.04987	6.7
202.08643	22.8
204.06557	7.3
208.06169	1.2
211.55295	1.2
212.03305	1.7
216.06569	20.4
222.07796	1.3
230.04462	2.7
230.08145	6.9
232.06062	12.8
234.07626	28.4
236.09053	1.1
237.06500	1.0
244.05972	3.2
246.07602	3.3
260.05551	13.1
262.07150	6.7
264.08685	70.4
274.07101	1.3
292.08157	37.5
294.09909	6.1
324.10745	67.5
325.11325	1.3
356.13327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68613	1.0
53.10302	1.0
58.27367	0.9
68.44904	1.0
69.03418	1.4
69.74540	6.6
70.06586	2.2
79.05488	1.3
87.04465	1.4
91.05457	1.1
93.07030	1.3
97.02827	1.1
98.20779	1.8
98.97587	1.0
107.04932	1.6
117.03374	1.3
118.03745	1.6
118.97530	1.0
119.05025	1.1
121.06483	3.4
128.04918	1.5
130.06516	1.8
135.04388	3.4
136.04753	3.1
137.05998	8.1
142.06494	3.5
144.04454	6.6
145.02863	1.6
146.03178	1.9
146.05934	2.3
150.29575	1.0
156.04388	2.1
158.06032	2.4
162.05434	2.1
163.03917	14.6
164.04265	19.1
170.06030	13.4
172.03926	2.9
174.05461	4.4
176.07039	4.6
178.04987	1.2
184.03880	3.3
186.05461	1.6
188.07042	2.6
198.05544	5.0
200.67528	1.0
202.04987	6.7
202.08643	22.8
204.06557	7.3
208.06169	1.2
211.55295	1.2
212.03305	1.7
216.06569	20.4
222.07796	1.3
230.04462	2.7
230.08145	6.9
232.06062	12.8
234.07626	28.4
236.09053	1.1
237.06500	1.0
244.05972	3.2
246.07602	3.3
260.05551	13.1
262.07150	6.7
264.08685	70.4
274.07101	1.3
292.08157	37.5
294.09909	6.1
324.10745	67.5
325.11325	1.3
356.13327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1494
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
53.03946	0.8
67.99451	0.2
69.03436	0.4
69.42560	0.2
71.57483	0.2
77.03953	0.3
79.05502	0.5
81.07065	0.6
86.57446	0.2
87.04476	74.1
88.04827	0.3
91.05486	2.2
93.07058	3.3
95.04977	0.6
95.08616	0.6
96.04490	0.4
97.13047	0.2
98.97603	0.5
103.05480	2.5
104.05009	0.7
106.06577	2.7
121.06517	21.8
122.05252	0.3
122.06038	1.8
122.06818	0.4
123.04510	0.2
132.04465	1.1
137.06021	0.4
137.13295	0.5
150.05518	100.0
151.05846	0.9
170.45476	0.2
172.80275	0.3
194.08177	0.4
202.09508	0.3
226.98427	0.2
236.09193	51.7
237.09451	0.7
239.04489	0.3
242.08975	0.4
255.09912	0.3
265.62122	0.3
270.08594	0.3
270.11249	7.3
285.10794	0.6
286.11459	0.4
306.11670	0.3
326.14850	0.3
338.14648	0.7
356.14954	100.0
357.15369	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.1
67.05503	2.5
69.07075	8.4
70.57471	1.8
70.57822	0.8
77.37488	0.7
79.05479	3.4
81.03420	1.3
81.07048	1.0
86.09710	100.0
91.05486	27.2
91.06078	0.9
93.07041	3.1
95.04974	1.5
98.20921	0.8
103.46936	0.8
105.07044	16.2
106.07370	0.7
107.04969	1.6
107.08555	1.0
117.07016	5.1
119.08584	37.4
122.92835	0.8
125.05966	1.1
128.06213	2.9
129.06998	8.7
130.05852	0.7
131.08588	2.3
132.10211	29.1
133.06511	5.1
133.10135	16.8
135.11659	0.9
137.06000	2.1
143.08572	9.5
145.06523	1.2
145.10149	1.2
147.08058	29.0
153.06998	0.7
161.09627	59.6
163.11243	1.0
165.09181	1.3
171.08090	2.7
179.10716	1.9
189.09119	46.1
207.10139	1.6
246.18622	0.8
256.17072	0.9
274.18018	24.0
292.19080	39.6
302.17599	2.7
310.20190	2.7
320.18570	13.7
338.19626	38.1
339.20078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.79665	0.6
64.14748	0.6
67.05505	2.1
67.44162	0.7
69.06721	0.8
69.07073	10.9
70.82232	1.2
70.82584	1.3
79.05499	2.1
81.07053	1.0
82.06582	0.6
83.04998	0.8
83.41129	0.7
84.08154	1.2
86.06080	3.9
86.09711	100.0
87.04454	1.0
87.06429	0.7
91.05486	11.5
93.06550	0.6
93.07036	3.2
95.04933	0.8
95.08598	0.8
98.37245	0.6
103.87201	0.6
105.07023	4.9
106.43730	0.6
107.08601	1.6
112.89013	0.7
117.07018	3.3
119.08583	23.1
121.06538	3.0
121.10148	6.2
125.05964	3.4
128.06264	1.1
128.10716	1.2
129.07028	1.7
131.08604	1.0
132.10229	9.0
133.03215	0.6
133.06537	0.8
133.10139	10.2
135.08063	0.9
135.11702	8.3
135.70291	0.7
137.05984	1.8
137.09642	6.4
143.08585	2.3
145.10118	0.7
147.08057	6.9
149.46187	0.6
150.05550	2.0
160.11241	1.1
160.61256	0.7
161.09624	22.6
161.10927	1.1
163.11194	1.7
165.09119	4.3
178.12418	0.8
179.10651	3.7
189.09116	11.3
194.08212	1.8
205.81038	0.6
206.11783	0.7
207.10167	3.4
208.09816	1.6
209.10513	1.7
224.12869	2.0
236.09349	1.1
246.18581	5.1
248.20097	5.8
250.18004	5.8
274.18030	7.7
287.33136	0.6
292.19083	59.7
302.01154	0.7
310.20132	35.1
320.18524	3.5
338.15497	0.8
338.19638	22.8
356.14026	2.3
356.20889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41004	11.5
53.66302	12.7
58.83135	12.6
69.88909	72.2
81.07068	18.7
91.05474	12.3
98.97589	38.0
105.07059	19.1
115.05484	14.9
135.04459	16.9
137.05977	100.0
138.06293	21.9
151.07593	19.3
152.07890	22.3
160.05284	19.0
164.81290	13.1
175.07559	32.6
187.07535	15.1
202.09561	24.4
203.07043	54.3
242.09007	16.7
248.08000	15.1
255.09840	23.7
271.09326	16.2
285.10870	46.1
286.11719	37.5
292.10425	34.5
306.12094	20.9
307.12924	15.2
338.14761	48.1
356.15842	29.7
356.26605	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	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56623	7.1
55.05497	10.3
56.96560	26.3
57.70708	7.1
62.06091	100.0
64.25177	7.2
66.13275	6.8
67.05499	34.3
69.03431	9.2
69.75040	16.2
69.75452	30.3
76.79964	6.5
79.05479	26.8
81.03435	12.1
81.07063	29.3
85.02909	13.0
87.04458	15.8
91.05467	31.6
93.07042	33.9
95.04974	9.7
95.08598	28.9
97.94823	7.4
98.20828	11.9
98.97556	11.2
105.07044	14.5
107.08576	21.7
109.10161	11.5
119.08591	18.3
121.06507	66.1
121.10164	14.6
131.08632	8.5
135.11678	8.4
137.05948	21.5
138.06354	10.8
143.08508	10.8
150.05513	14.5
151.07549	14.3
152.07927	9.8
156.41122	8.0
162.27550	7.6
188.08110	7.8
190.08586	9.8
202.09381	12.1
207.61682	7.3
236.09206	15.7
238.17947	9.9
238.92853	8.3
254.09238	10.8
255.09641	10.3
270.08563	10.7
285.10840	32.8
286.11383	15.0
298.11478	11.1
306.11880	17.0
307.12811	10.2
308.09885	8.2
320.25888	16.2
323.12436	8.0
338.14648	29.9
338.26901	92.1
356.15201	56.6
356.18921	24.5
356.25397	46.4
359.34711	9.0
377.32913	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	356.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.1
57.07082	1.7
58.06591	0.7
62.06078	0.4
63.10889	0.2
63.70864	0.2
69.06729	0.4
69.07076	6.3
69.33746	2.2
70.06595	10.0
71.08630	0.4
73.52193	0.2
73.69166	0.2
83.08631	3.1
83.92354	0.2
88.07636	12.8
89.85369	0.3
97.10177	1.2
100.07632	0.3
102.08643	0.3
102.09194	3.3
106.08676	6.8
106.29805	0.2
121.06449	0.3
129.62935	0.3
132.43810	0.2
233.21518	0.3
286.11389	0.3
312.32642	0.8
331.97540	0.3
338.34198	5.1
356.35239	100.0
357.35648	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3524
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03955	0.3
53.70934	0.3
55.05517	7.5
57.07080	1.6
58.06594	1.0
62.06084	0.5
67.05504	0.3
68.05024	0.3
69.06732	0.4
69.07079	6.2
70.06599	10.6
70.45454	0.7
70.45804	0.5
71.08624	0.5
74.06106	0.2
76.23344	0.2
81.07085	0.3
83.08623	3.3
85.10159	0.2
88.07637	15.1
95.08622	0.3
97.10201	1.2
102.09189	3.3
106.08678	7.7
147.63745	0.2
170.55098	0.3
310.98770	0.3
312.32620	0.8
338.14618	0.4
338.34198	5.8
338.38226	0.3
356.35251	100.0
357.35559	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.05513	0.4
56.26693	0.2
57.03435	0.3
61.87364	0.2
66.04728	0.2
67.05503	0.8
69.03416	0.5
69.53424	1.2
69.53831	0.2
70.06590	0.3
79.05493	0.5
81.07059	0.3
83.04989	0.6
85.02924	0.8
86.09702	0.2
91.05482	1.3
93.07038	0.4
94.04192	1.4
95.01344	1.8
95.04970	0.7
95.08611	0.4
97.02878	0.3
98.97565	0.3
103.05480	0.8
107.04956	0.6
107.92194	0.2
109.06501	0.2
109.10210	0.9
113.02354	0.2
117.03362	0.3
119.04935	1.1
119.08592	0.6
121.06532	0.2
122.03666	4.8
123.04482	0.2
123.08089	0.5
125.07050	0.2
129.01872	0.4
131.04951	1.4
135.04398	0.2
136.05173	0.2
137.05989	100.0
138.06361	0.9
139.04016	0.2
141.01862	1.0
145.02864	0.3
147.08058	0.6
149.05959	0.2
151.03949	0.6
151.07565	1.8
153.05498	0.5
161.05896	0.2
163.03896	0.3
163.07559	2.0
165.05504	0.6
165.09206	0.9
167.07082	0.4
177.04024	0.4
177.05466	0.8
179.10693	0.5
181.08595	2.5
187.07530	0.3
195.01262	0.2
199.27783	0.2
219.08032	0.2
227.42221	0.2
265.08319	0.2
277.08511	0.2
279.10159	0.3
306.85211	0.2
307.09485	0.2
339.12195	0.3
357.11865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Melianoninol
Peak:m/z	Relative Intensity
59.21254	0.9
65.03927	1.7
67.05492	2.5
68.74590	0.9
68.83571	0.9
69.07070	1.6
69.61691	1.7
69.62099	4.4
78.04717	4.7
79.05495	10.3
81.07068	4.5
91.05486	12.4
93.07024	2.2
95.04965	3.3
95.08597	2.7
100.82572	0.8
103.05482	2.2
105.07043	1.3
106.04193	1.8
107.04967	20.0
107.08537	1.8
109.06545	2.4
109.10151	2.4
115.05474	9.5
117.07014	4.1
119.04974	6.2
119.08588	1.1
121.06496	2.5
121.10168	1.0
122.03716	1.5
123.04454	7.2
124.05227	4.7
125.05988	1.2
127.05483	1.5
128.06174	1.0
129.07004	1.7
131.04915	2.6
132.02084	6.4
135.04431	52.2
135.11722	1.3
136.05196	1.8
137.05984	12.5
138.82448	1.0
143.04933	12.0
145.06520	6.9
147.04408	8.6
149.02354	3.6
149.06020	1.3
151.03883	2.5
152.04683	2.8
153.05501	2.2
155.04926	4.8
155.06055	2.0
159.04417	2.2
161.05917	4.8
164.04710	4.1
165.05466	1.7
165.06853	1.3
167.07054	100.0
173.06000	21.2
175.07585	4.8
178.07813	3.0
179.07047	96.2
185.05998	43.7
185.07669	2.1
186.06749	5.9
189.05489	2.5
189.07040	5.0
190.07722	1.4
191.07033	1.3
191.08612	3.1
193.10229	1.7
197.08087	1.4
202.07780	2.2
203.07036	5.3
203.08652	6.3
205.06572	2.0
206.07248	4.8
208.08781	1.3
217.06514	3.5
217.08546	1.6
218.07217	1.3
219.08028	4.5
220.08853	2.1
221.09631	13.4
223.07642	1.3
231.08138	4.0
233.05888	1.5
234.06734	5.9
235.07588	4.1
236.08353	2.9
237.09212	1.8
246.06802	2.1
247.07591	10.0
248.08238	1.3
249.05388	2.3
249.06548	1.0
249.09157	13.5
250.06406	1.2
251.06990	1.8
262.06339	1.9
263.07080	2.6
264.07858	11.6
265.08517	3.3
267.03757	1.3
275.07013	9.2
276.07745	1.6
277.05084	1.9
277.08600	5.2
278.09134	1.2
279.10165	11.7
281.08179	2.4
281.11734	4.6
289.08621	1.7
291.06580	2.7
292.07379	5.1
293.08130	3.1
294.68134	1.1
295.09653	1.9
306.08829	1.0
307.09668	42.1
308.10083	4.7
309.07816	1.9
309.11319	3.2
311.09152	2.5
313.31299	1.0
324.10010	5.3
327.12299	12.9
339.12280	59.3
340.12527	0.9
351.67728	1.2
357.13342	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
52.64474	0.4
53.03966	0.5
55.01875	0.9
56.46026	0.4
57.01840	0.4
57.23117	0.3
57.72376	0.3
65.03948	1.0
67.05508	1.4
69.21736	3.7
77.64389	0.3
79.05491	1.4
81.03419	0.8
81.07064	1.0
91.05477	1.3
94.04183	2.2
95.04982	0.9
103.05488	0.4
105.04431	0.4
107.04975	1.4
108.02118	0.9
109.03481	0.4
109.06514	0.8
114.44048	0.3
115.05482	1.9
117.07029	0.8
122.03658	6.6
123.04416	0.6
129.07048	0.9
131.04968	0.7
135.04433	0.4
137.05984	100.0
138.06328	0.9
141.05482	1.0
143.04932	6.8
145.02873	0.5
145.06477	1.2
149.06020	0.9
151.03918	49.8
151.05022	4.2
152.04204	0.5
153.05470	1.3
157.06557	0.7
160.05179	0.5
161.05988	0.8
163.07518	0.6
165.05447	2.3
165.09143	0.5
167.07094	0.7
172.05263	0.5
175.07550	2.9
177.05493	1.6
187.07547	0.8
187.24278	0.4
189.09085	0.7
195.06429	0.5
203.07045	5.4
205.08601	2.9
215.07043	1.1
218.07326	0.8
219.08041	0.9
233.08000	0.5
234.06610	0.6
235.07584	0.7
246.06810	0.6
247.07628	1.1
247.24751	0.4
251.10600	0.6
261.09122	1.6
263.07074	1.2
265.08575	0.6
266.74380	0.4
267.10291	0.6
269.08157	0.5
277.08609	1.5
279.10095	1.5
283.09644	0.5
284.10477	0.8
285.11298	0.4
289.08618	1.1
293.08310	0.4
295.09634	0.6
297.11182	0.8
306.08731	0.6
307.09598	1.7
309.11087	0.9
311.12781	1.4
312.09772	0.4
321.11182	5.1
322.64102	0.4
327.12292	11.2
339.12225	5.9
357.13330	27.4
358.13641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1335
Annotation	(-)-Haplomyrfolin
Peak:m/z	Relative Intensity
55.01874	1.8
64.71446	0.9
65.03946	1.5
65.94274	0.9
70.86416	1.5
79.05497	1.4
81.07034	2.0
88.56822	0.8
91.05476	2.4
94.04184	2.6
95.04937	1.1
103.05494	3.3
105.07006	1.1
109.06532	2.5
111.04491	1.3
115.05427	4.2
115.50091	0.9
117.06995	1.5
119.04948	3.5
122.03645	6.5
125.06007	1.4
129.06992	3.6
131.04974	4.8
134.54834	0.8
135.04413	16.1
137.05988	99.2
143.04985	4.0
145.06479	2.7
147.04437	3.2
149.05986	5.6
151.03932	9.0
151.05009	1.6
151.07571	1.2
153.05444	2.7
155.04939	2.8
157.06514	2.0
159.04413	1.4
160.05251	1.0
161.05978	5.7
163.03947	0.9
172.05258	0.8
173.06004	8.9
175.07579	2.4
179.07065	2.2
185.05978	9.4
186.06721	1.1
187.07535	3.5
190.07784	1.6
191.08545	7.1
203.06992	3.0
203.08705	3.8
207.08064	0.9
215.07001	1.4
218.07141	1.1
219.08028	15.8
220.08742	1.0
231.08101	2.4
232.08815	1.1
235.07541	2.8
236.08388	1.9
247.07500	5.2
248.08221	1.9
249.09100	12.0
251.07132	2.3
251.10646	3.8
259.07605	2.0
261.09158	3.1
262.06250	3.6
263.10718	1.5
264.07959	1.2
275.07211	0.8
277.08624	19.7
278.09338	2.2
279.06650	1.9
279.10211	3.5
281.08063	4.9
289.08490	4.2
291.10153	3.9
294.08749	5.2
304.87881	0.7
309.11185	24.8
321.11243	4.0
327.12289	100.0
328.12604	1.7
339.12317	6.7
357.13290	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	357.1334
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
55.01865	0.3
65.03916	0.5
66.04710	0.3
67.05492	0.6
70.27638	0.8
71.19872	0.2
77.03902	0.2
79.05476	0.6
81.03413	0.8
81.07050	0.4
91.05467	0.6
94.04203	1.9
95.04956	0.4
98.97583	0.4
107.04971	0.5
108.02078	0.4
109.06564	0.3
111.04419	0.2
115.05470	1.3
117.07042	1.3
117.12906	0.2
121.06477	0.3
122.03654	6.5
128.06209	0.3
128.38293	0.2
129.07010	1.0
135.04398	0.2
137.05980	100.0
138.06328	0.7
141.05470	0.5
143.04927	5.7
145.02861	0.2
145.06436	0.5
147.04404	0.2
151.03912	26.0
151.05026	2.6
153.05450	0.3
157.06465	0.8
161.06012	0.5
163.07677	0.2
165.05511	1.0
171.04445	0.6
175.07547	2.1
177.05435	0.7
177.09055	0.4
187.07632	0.4
189.09114	0.7
195.01180	0.2
195.06526	0.2
203.07001	2.7
205.08589	2.7
207.08110	0.3
215.07144	0.3
219.08038	0.3
220.63556	0.2
233.07980	0.5
235.07532	0.4
246.06796	0.2
247.07523	0.6
253.01993	0.2
261.09103	0.5
263.07037	0.3
266.15588	0.2
279.10236	0.5
286.08127	0.6
289.08707	0.3
295.09720	0.3
297.61508	0.2
307.09692	0.8
309.11069	0.4
311.12787	0.4
321.11307	1.4
327.12283	11.9
328.12662	0.2
339.12271	1.9
357.13333	25.9
358.13504	0.7
377.80884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01883	1.1
55.05510	3.0
57.03441	1.0
65.03950	1.6
67.05506	26.8
69.03439	2.3
69.07078	1.7
69.41881	1.7
69.42311	2.0
71.04993	1.5
79.05487	2.6
81.03424	6.6
81.07057	14.1
83.04984	3.6
85.02907	0.7
91.05476	2.5
93.03423	1.3
93.07058	4.9
95.04382	0.7
95.04974	12.5
95.08607	8.5
95.09167	0.7
97.06509	0.8
98.21429	1.0
99.04452	2.2
99.08096	0.9
103.05469	0.4
105.07049	0.7
107.08601	2.4
109.06530	1.9
109.10162	54.6
111.04456	4.4
111.08095	0.5
113.86796	0.4
117.07016	0.5
119.08596	4.3
121.02824	0.8
121.06533	1.9
121.10143	1.1
125.06025	1.3
127.03964	0.5
135.11691	1.3
137.06020	5.7
137.09621	100.0
138.09972	0.6
139.03914	2.5
147.04381	0.4
147.08032	0.9
151.03880	1.1
153.09138	0.5
155.10670	8.1
157.04941	1.3
165.09120	75.7
166.09509	1.6
175.07492	0.8
177.12866	0.5
183.10172	10.1
189.09106	0.6
201.11229	10.7
202.30263	0.5
203.07027	1.0
243.06561	0.5
271.06000	0.8
286.08240	1.0
293.13870	1.6
307.09683	0.6
311.14932	0.8
317.85284	0.5
339.14447	16.2
357.15213	6.8
357.19019	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	357.3001
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03940	3.9
55.01869	2.9
55.05513	63.1
56.05836	3.2
57.03436	11.0
57.06827	2.8
57.07079	34.3
60.89079	2.2
65.03921	2.4
66.67995	1.6
67.05506	76.6
68.61550	1.6
69.07069	100.0
70.06583	7.6
70.07396	2.3
71.04999	3.3
71.08634	23.1
71.58289	2.4
73.73834	1.6
75.04482	4.2
79.05067	3.1
79.05495	46.1
81.07061	90.0
83.05004	2.9
83.08619	65.1
83.09118	3.8
85.06528	4.7
85.10183	13.0
88.07642	8.8
91.05472	6.3
93.06470	3.4
93.07047	55.0
93.26932	1.8
95.08608	83.4
97.06537	29.0
97.10175	40.6
99.08091	4.2
102.09172	2.5
103.03954	4.5
105.07028	5.0
106.08659	5.1
107.08585	42.2
109.10160	51.4
111.08096	9.7
111.11726	15.2
112.99138	4.3
114.73918	1.6
117.64851	1.9
119.08605	3.5
120.50357	1.7
121.10152	81.4
121.11029	4.0
122.10477	2.3
123.11732	16.9
125.09612	5.5
125.13291	2.5
129.05452	3.8
131.00197	4.7
133.10118	2.8
135.11696	65.6
137.05994	15.2
137.13249	9.0
139.11172	5.3
143.10672	2.4
149.13280	28.6
151.14828	11.6
153.12715	4.4
160.05186	3.0
163.14874	18.6
165.16365	9.8
167.14302	4.3
175.07529	10.1
177.16368	6.6
189.16296	2.8
191.17957	5.8
199.17117	1.9
203.07072	11.3
247.24222	73.6
248.24640	2.0
265.25269	81.7
279.10101	2.0
283.26331	6.7
325.20169	7.0
339.12305	4.4
339.28952	70.7
339.34598	3.6
355.10983	2.0
357.26172	20.7
357.30353	6.1
357.35529	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86415	2.5
53.03943	5.0
55.01866	3.3
55.05514	69.7
57.03429	11.7
57.07076	42.2
65.98778	2.6
67.05173	5.8
67.05508	75.2
69.07073	100.0
70.06582	6.2
71.04999	4.7
71.08638	23.5
73.98459	3.1
75.04456	3.4
79.05500	41.3
81.07064	88.9
83.08627	63.9
85.06524	3.6
85.10172	15.9
88.07645	5.5
91.05461	6.9
93.07053	61.1
95.08611	88.4
97.06530	28.1
97.10184	44.9
99.08065	3.6
99.32361	3.5
102.09130	2.9
105.07027	3.9
107.08606	47.2
109.10162	48.6
111.08073	8.3
111.11722	14.3
118.79482	2.8
120.76027	2.7
121.10148	84.2
123.11714	18.6
125.09598	5.4
125.13287	4.4
133.10107	2.8
135.11696	65.9
137.06015	6.7
137.13292	5.2
139.11195	7.0
149.13261	29.5
151.14815	10.4
153.12752	5.0
163.14771	15.4
165.16444	11.3
177.16403	9.8
191.17952	5.1
195.17522	4.2
207.17505	3.2
229.05090	3.2
247.24234	86.5
265.25290	94.3
283.26352	6.8
324.00812	2.8
339.28976	61.2
357.30875	4.6
357.35583	58.0
358.00839	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	357.3
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05511	44.9
57.07071	35.4
67.05504	85.5
69.07072	73.2
71.08620	13.2
71.42825	14.9
71.43158	21.9
75.25277	11.1
78.30013	12.0
79.05495	23.9
81.07069	100.0
83.08627	51.4
91.05463	14.8
93.07042	46.6
95.08606	69.0
97.06528	25.7
97.10174	34.7
99.20919	13.1
107.08588	47.3
109.10164	46.3
111.11758	20.2
121.10124	68.2
135.11719	66.5
137.06097	14.4
145.97954	13.7
149.13298	17.5
164.73187	11.8
247.24168	68.4
265.25272	83.0
269.55487	12.4
339.29004	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	357.3001
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.37605	3.5
53.03939	4.4
53.69052	2.9
55.05261	4.5
55.05520	65.2
57.03441	8.2
57.07080	35.4
67.05508	69.1
69.06722	5.7
69.07077	100.0
70.06597	5.7
71.04965	4.6
71.08639	24.5
71.57143	4.2
73.00135	3.2
75.04475	4.5
78.05220	2.9
79.05504	39.4
81.07066	85.4
83.05009	3.7
83.08631	69.1
85.06554	5.4
85.10195	8.7
88.07651	3.6
91.05497	6.1
93.07049	53.8
95.08616	85.8
97.06534	25.0
97.10184	41.8
97.20984	2.9
105.07033	4.2
106.08717	3.6
107.08603	46.2
107.22031	3.1
109.10158	46.7
111.08092	13.7
111.11739	14.6
119.29768	3.3
120.44451	3.5
120.89256	3.8
121.10152	81.6
123.11693	19.9
125.09644	6.6
135.11702	61.1
137.05949	3.8
137.13274	8.9
139.11211	6.6
149.13246	24.9
151.14854	10.3
153.12798	5.8
163.14893	16.3
165.16406	9.7
177.16467	3.4
191.17963	4.4
230.35223	3.5
247.24234	83.3
265.25287	87.3
283.26248	8.8
300.53345	3.3
339.28986	75.9
357.30832	5.7
357.35522	33.5
358.36859	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	358.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51301	0.1
53.03940	0.5
53.07749	0.1
69.37163	0.4
69.37589	0.6
70.06614	0.1
79.05495	0.3
81.03502	0.1
91.05498	1.3
93.07060	1.5
95.04971	0.3
98.21433	0.3
103.05479	1.1
106.06535	0.2
107.08599	0.2
117.05725	0.1
118.06557	1.0
119.07332	0.4
120.08146	0.2
121.06519	9.4
122.06040	0.2
123.11681	0.2
134.09636	0.2
136.07565	1.2
137.06009	0.2
146.05984	0.1
148.07593	0.4
150.05496	0.3
151.06316	0.3
162.05540	0.2
164.07082	6.2
176.06985	0.2
178.08649	100.0
179.09322	1.5
180.10179	0.6
183.05350	0.2
191.03867	0.1
194.08153	0.2
194.89885	0.1
196.09772	0.2
205.44684	0.1
220.06081	0.6
220.09726	0.3
238.07043	0.7
238.10840	0.8
245.51590	0.1
256.37515	0.1
284.12851	6.8
316.15601	0.4
353.66495	0.2
358.12894	0.5
358.17001	1.0
358.23865	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04980	0.2
53.03941	0.5
70.10847	0.2
70.68637	0.5
70.68967	0.2
86.14278	0.2
91.05475	1.2
93.07047	1.1
95.04984	0.5
103.05460	0.8
108.21358	0.2
118.06532	0.7
119.07345	0.4
120.08109	0.3
121.06511	8.7
134.09654	0.3
136.07596	1.0
144.43564	0.2
148.07626	0.5
164.07082	6.5
178.08644	100.0
179.09401	1.4
180.10257	0.6
183.05228	0.2
196.09631	0.2
206.46738	0.2
220.06197	0.2
238.07103	0.4
238.10780	0.7
284.12836	6.8
316.15466	0.4
358.12973	0.4
358.16473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21634	0.2
53.03940	0.6
56.96550	0.7
66.37177	0.2
67.05505	0.5
67.22435	0.2
69.07076	0.3
69.39240	1.6
75.77618	0.2
79.05487	0.4
81.03392	0.3
81.07061	0.9
85.02866	0.3
89.34127	0.2
91.05487	1.5
93.07052	1.5
95.04948	0.3
95.08601	0.9
96.43901	0.3
98.20774	0.6
98.97594	1.8
103.05449	0.8
105.07022	0.6
107.08600	0.3
109.10155	0.5
116.98608	0.6
118.06564	0.9
119.07320	0.5
121.06510	9.9
121.10170	0.3
123.11732	0.3
124.03805	0.2
133.10100	0.2
134.99667	0.3
135.11655	0.4
136.07559	1.4
137.06012	0.2
137.13277	0.3
143.08589	0.2
148.07588	0.3
151.06197	0.2
158.99684	0.9
162.87166	0.2
164.07079	6.6
177.00702	0.7
178.08641	100.0
179.09219	1.5
180.10231	0.6
182.08472	0.2
196.09653	0.3
219.01701	0.3
238.10701	1.0
284.12833	6.8
316.15588	0.2
330.70221	0.3
358.16586	1.1
367.65060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1652
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
53.03943	1.2
56.96573	0.9
65.03960	0.6
71.04987	2.2
71.30862	1.0
79.05500	19.4
80.43354	0.6
81.07073	1.2
83.04979	0.5
83.64506	0.5
84.96056	0.9
85.02887	1.8
86.09709	1.7
91.05489	8.4
93.03404	0.5
93.07042	2.4
95.04983	1.2
98.97575	0.7
103.05474	47.6
105.04502	0.7
105.07039	2.9
107.04963	22.0
109.02975	0.5
117.23297	0.5
118.06536	1.4
119.04930	3.4
121.06510	3.6
122.03628	0.6
131.04944	17.5
133.02834	0.6
133.10088	0.5
135.04395	0.6
137.05983	30.6
138.06319	4.4
143.04918	0.8
145.02895	0.9
146.03171	0.7
146.06013	9.5
146.07097	0.8
147.04410	2.2
149.06059	1.6
151.03931	2.9
152.04277	2.2
153.05521	0.5
164.07080	1.0
165.05563	1.3
175.07552	0.7
177.05476	1.5
178.08643	28.0
187.07510	0.8
188.02847	0.6
191.03403	1.1
204.07431	0.7
210.11263	16.3
239.02205	0.7
255.06534	0.8
281.07932	0.6
326.13864	7.4
328.12576	1.4
329.53754	0.5
340.12750	0.9
352.44925	0.5
358.16577	100.0
358.23843	4.0
359.16711	1.8
374.97571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2015
Annotation	Hetidine
Peak:m/z	Relative Intensity
51.83401	0.4
53.03948	0.8
55.01872	0.5
55.05505	1.3
56.96573	0.9
57.07062	0.4
62.06103	0.5
65.03928	0.5
67.05520	2.7
68.42874	0.3
69.03419	0.5
69.07072	1.1
70.06570	0.3
71.04994	0.5
71.57701	0.6
77.03922	0.7
79.05495	3.2
81.07069	5.8
83.04995	2.5
84.28304	0.4
85.02899	0.8
91.05485	8.5
93.07056	9.7
95.04964	1.7
95.08623	2.7
97.02899	0.5
98.21057	0.4
98.97589	1.0
101.00858	0.6
103.05476	4.7
105.07037	11.9
107.04962	1.2
107.08605	2.6
109.06537	5.9
109.10168	1.5
111.08091	2.5
117.07016	0.9
119.01963	0.6
119.08592	4.2
120.08117	100.0
121.06519	4.4
121.08437	0.5
121.10155	1.3
123.08080	1.4
123.11717	0.8
129.07004	1.0
130.93320	0.3
131.04926	2.4
131.08583	3.2
133.06497	0.8
133.10149	13.0
135.04463	0.5
137.05984	3.6
138.06334	1.8
142.07841	0.4
143.01880	2.0
145.10165	0.9
146.06004	0.7
147.11699	10.0
149.05988	1.6
149.09671	1.0
149.13243	0.6
151.07553	2.3
151.11194	29.0
152.04411	0.4
157.10168	0.9
161.02972	1.6
162.09172	1.6
164.07109	0.8
165.12766	1.6
166.08656	36.1
175.11174	3.7
177.16447	0.5
178.08649	7.7
184.04471	0.5
190.08607	0.5
193.12282	3.8
203.04022	0.5
220.08572	0.4
278.09024	0.8
284.12869	0.9
294.18591	3.5
310.11609	1.2
312.19601	13.8
325.17044	1.1
328.12686	4.0
337.19272	0.5
337.69559	0.4
340.19150	3.7
346.20041	1.1
357.70276	0.6
358.13181	1.1
358.20166	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	358.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
56.96570	3.6
57.07083	2.2
58.99865	1.8
59.58918	1.4
67.05520	2.4
69.07078	2.5
69.71996	9.2
72.08158	4.3
77.00916	11.9
79.05510	2.6
81.07069	4.0
87.04503	4.2
91.05487	5.1
93.07063	6.6
95.01958	5.3
95.08611	2.5
100.02505	2.1
105.07084	2.5
119.08613	4.0
121.06503	3.5
121.10181	1.5
123.65337	1.6
128.98764	1.6
131.01933	7.3
131.08559	1.5
133.10139	3.4
145.10051	3.1
149.03033	2.2
159.11775	2.0
178.08687	3.0
205.09216	1.7
215.11330	1.7
243.14513	2.2
247.11803	2.0
289.16245	1.7
296.33163	7.8
297.16998	4.5
299.18564	29.4
299.21786	2.5
315.17993	15.0
317.19675	100.0
318.19815	3.3
333.19022	1.8
335.20767	65.9
338.19296	2.5
340.21188	24.8
353.18671	1.9
358.16336	2.6
358.22351	7.5
358.28668	3.1
358.33075	3.3
358.36874	23.7
381.23566	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	358.2378
Annotation	Spiradine G
Peak:m/z	Relative Intensity
69.07082	0.2
69.57844	1.1
71.19872	0.2
82.61277	0.2
83.81786	0.2
87.04462	0.4
91.05482	0.2
137.05977	0.6
146.18130	0.2
156.08112	0.4
167.07091	0.3
169.10150	0.2
170.09631	0.5
171.10408	0.3
172.11234	0.7
173.11969	0.9
177.05449	0.3
182.09618	0.3
183.10410	0.3
184.11250	0.8
185.11987	0.5
186.09149	0.2
187.14842	0.3
196.11203	0.8
197.11887	0.3
198.09111	0.6
198.12865	0.4
199.09973	0.3
200.10718	1.4
201.11357	0.2
210.12770	0.2
212.10687	2.0
213.11465	0.4
214.12233	0.5
224.10788	1.4
226.12273	1.3
227.13124	0.3
228.14035	0.3
238.15900	0.3
240.13908	0.2
240.17569	0.5
242.11806	1.8
252.17441	0.3
253.18451	0.3
254.15454	0.3
254.19043	1.1
255.16167	0.3
255.17307	0.2
255.19846	1.7
256.13345	3.0
268.17032	0.5
268.20627	1.6
269.17801	0.2
270.18503	1.6
274.14377	0.5
281.17776	0.2
282.18591	1.7
283.19427	0.3
284.20102	6.0
286.14404	3.6
287.15082	0.3
296.20206	1.0
298.21674	0.8
300.15921	0.3
312.19699	0.4
314.21100	0.8
328.22699	1.0
342.20642	0.4
343.21426	0.3
358.23776	100.0
359.24124	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	20.4
61.93873	10.1
62.23486	10.2
67.05501	21.8
68.50873	11.4
69.07069	16.6
69.99296	9.6
71.04980	10.8
71.39252	20.0
78.40004	10.4
79.05495	22.5
81.07047	35.5
87.04479	100.0
91.05483	17.1
93.07061	21.9
95.08604	27.9
98.97553	17.9
105.06999	16.3
107.08517	14.6
121.06499	24.7
130.38824	10.1
130.81567	11.7
149.01248	15.6
156.03572	10.9
178.08582	55.2
277.13840	17.8
288.92004	12.6
358.16360	26.8
358.20325	17.4
358.29486	59.6
370.12915	11.1
371.65414	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	358.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	17.6
56.96554	46.0
67.05495	37.5
69.07079	26.8
70.50457	54.1
79.05495	39.8
81.07043	70.2
91.05476	36.5
93.07028	24.3
95.08620	54.5
98.97584	52.9
105.07040	63.2
107.08591	39.0
109.10140	24.2
119.08531	40.6
121.06493	48.7
121.10101	28.0
133.10147	31.2
135.04387	17.6
135.11711	30.2
147.11673	34.8
163.03914	82.6
178.08655	100.0
187.84598	19.3
252.68132	19.1
255.01697	21.0
273.02847	38.7
277.21442	29.7
323.02985	18.2
335.20645	18.9
358.13522	44.3
358.20398	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	359.1103
Annotation	QUERCETIN TETRAMETHYL (5,7,3',4') ETHER
Peak:m/z	Relative Intensity
52.71215	3.4
69.88078	23.9
109.02761	4.8
119.01900	5.4
175.59230	4.2
176.57259	4.5
189.66176	4.0
200.29288	4.4
258.99768	8.6
359.01410	6.8
359.11172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1128
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
55.01875	0.4
65.03933	1.3
69.07084	0.4
69.35222	2.5
70.32226	0.3
75.04455	0.4
79.00588	0.3
79.05491	1.2
81.07049	1.0
82.69562	0.3
91.05487	29.4
93.07055	5.7
95.04996	0.6
95.08599	2.0
103.05470	1.0
105.07006	0.8
109.06519	1.9
111.11671	0.3
119.04952	16.5
121.02897	0.4
121.06539	0.3
121.10157	8.1
123.04444	0.5
123.11755	0.4
129.05498	0.4
131.04953	1.5
135.04422	2.5
137.05986	100.0
138.06340	0.8
139.11192	8.6
145.02890	0.6
147.04416	0.3
149.05992	0.9
149.09639	1.3
151.03944	1.4
151.05005	0.3
153.05380	0.3
163.03946	1.0
163.07562	0.9
165.05492	0.4
167.10707	2.2
172.55424	0.3
175.07565	0.4
177.05493	2.3
179.06989	0.4
187.07550	0.5
191.03384	2.5
205.04970	2.6
207.07980	0.5
222.84837	0.4
223.35162	0.3
227.94589	0.4
230.85023	0.3
239.07103	0.4
263.07114	0.4
281.07956	0.4
295.10101	0.3
309.07684	0.4
313.10873	0.7
327.08612	0.4
331.11716	0.4
341.10172	0.4
341.13901	0.4
359.15179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1124
Annotation	Cimiracemate A
Peak:m/z	Relative Intensity
55.01866	0.7
65.03933	2.0
65.06115	0.5
71.30935	0.9
71.31272	0.7
72.89914	0.4
73.70238	0.4
79.05487	0.7
81.07049	0.9
86.09690	0.9
91.05486	28.9
99.75153	0.4
103.05498	0.7
107.04945	0.7
109.06505	1.8
115.05442	0.7
119.04948	17.5
121.02866	0.8
123.04442	1.7
129.06985	0.5
131.04935	0.9
135.04419	2.5
137.05983	100.0
138.06282	1.1
141.06979	1.2
143.04890	0.6
145.02905	1.0
145.06483	0.7
147.04420	1.5
149.06047	1.1
151.03940	0.9
153.05502	2.3
153.06726	0.6
160.05214	0.5
161.05980	0.9
162.06766	0.5
163.03909	1.2
163.07619	0.6
165.05501	5.6
165.07001	2.5
167.08548	0.8
169.06514	1.0
173.02385	0.5
173.05925	0.8
175.07571	1.6
177.05486	1.9
179.07077	0.6
179.08574	0.6
181.04994	1.3
181.06544	1.1
183.08044	0.9
187.07597	2.9
189.09026	0.7
191.03423	3.5
193.06529	1.3
197.06004	0.8
199.07541	0.6
205.04919	2.9
207.08128	1.0
209.05956	0.6
211.07576	1.9
215.07047	1.6
217.08614	0.7
221.05991	1.8
225.09099	0.8
227.06970	0.6
229.08521	0.9
235.07588	1.6
236.08322	0.5
239.07088	2.9
249.05508	1.4
253.08656	1.6
257.08066	1.5
263.07111	0.9
264.40982	0.5
267.06473	4.0
281.08099	2.0
283.09714	0.6
285.07571	5.1
289.11081	0.6
291.06729	0.7
291.10159	0.9
299.09222	1.6
309.07538	2.7
311.12912	0.7
313.10822	0.6
317.10175	7.4
323.12778	0.8
327.08676	3.3
341.13950	0.9
345.09467	1.1
359.11111	2.6
359.15121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1338
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.85907	2.4
55.01858	5.6
55.05516	18.1
56.96553	6.4
57.03436	3.0
57.07058	5.7
65.03963	3.0
67.05498	7.0
69.03416	4.6
69.94724	10.4
70.06598	2.6
71.04979	3.7
72.08153	3.1
73.02921	24.7
74.54189	1.8
81.07068	2.0
82.84466	1.7
83.04982	32.6
84.08125	7.0
85.02899	7.5
85.06543	54.9
86.09222	3.2
86.09706	47.7
87.04443	2.5
91.05468	6.5
93.03403	4.8
93.07046	4.4
95.04987	13.2
95.08580	3.0
97.02867	4.7
97.06528	4.0
98.97560	6.0
101.05982	4.0
103.05476	2.5
105.07039	3.5
107.04987	3.0
109.06517	2.3
109.10159	3.5
110.03654	3.0
111.04447	10.6
117.03446	1.8
119.04941	4.0
121.02876	3.3
121.06502	4.8
121.10129	3.5
122.03635	4.6
123.08104	2.5
125.05994	26.7
127.03979	2.5
128.98491	2.3
129.06960	2.7
129.10214	5.6
131.04904	7.8
133.06145	6.3
135.04356	3.8
137.05995	45.2
139.03882	6.0
139.11183	5.2
141.05518	2.8
147.04356	3.9
149.05963	4.1
151.03914	100.0
151.05014	6.6
151.07484	9.1
155.06999	2.5
158.99651	3.1
160.05197	2.9
161.05978	7.8
163.03947	5.6
163.07584	2.8
165.05452	3.2
167.03368	2.5
167.07040	2.8
167.10628	5.6
174.06822	2.9
175.07516	7.2
177.00658	4.6
177.05547	9.4
179.07063	22.8
187.07553	13.0
189.09067	4.8
193.08653	3.0
197.06245	4.3
197.08098	88.4
199.18016	9.7
217.08556	3.8
219.01666	2.4
227.17523	7.0
246.14520	2.1
253.08844	4.4
257.10205	57.0
265.08508	2.6
270.08813	2.3
279.10092	3.2
281.07965	2.4
285.11182	3.8
297.11090	3.2
311.12708	4.1
315.12219	3.1
323.12668	6.3
341.16229	4.0
359.13043	27.7
359.17001	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	359.1491
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
55.01859	4.6
61.83829	2.1
65.03949	2.3
67.05473	2.0
69.03413	3.4
69.57803	10.0
69.58226	4.2
70.06593	2.2
79.05483	3.4
81.07024	3.2
85.02905	3.0
85.06539	2.6
86.09729	3.2
90.42093	1.9
91.05500	10.7
91.50818	2.0
93.03394	2.6
93.07034	3.7
94.04172	3.5
95.04895	2.7
97.06508	2.8
98.20782	4.8
103.05461	8.2
105.07024	3.5
107.04966	2.9
109.06490	3.8
115.05422	5.9
119.04919	5.7
121.06519	3.6
121.10138	6.2
122.03633	5.8
125.06019	3.5
129.06984	7.1
131.04939	11.0
137.05991	100.0
138.06282	2.2
139.11047	3.5
144.05670	4.0
145.06558	3.1
147.04378	4.2
149.06012	3.7
149.09586	2.7
151.03908	21.1
151.07545	6.0
153.05450	2.8
157.06458	4.5
158.99811	2.1
160.05177	7.6
161.05975	5.7
162.06801	2.4
163.07541	5.5
165.05466	6.1
167.03322	2.4
167.07047	5.4
172.05176	5.1
173.05975	3.2
174.06775	5.5
175.07559	42.8
175.42752	2.1
177.05490	3.9
179.07033	7.4
187.07547	44.0
189.09102	14.5
191.08557	3.0
197.11748	3.2
203.08530	4.6
205.08630	4.0
217.08592	12.1
219.08069	6.4
227.07028	5.6
231.08040	6.0
235.07594	4.5
237.09041	3.7
239.06953	3.4
247.07559	3.1
248.08368	6.0
249.09120	2.9
251.10701	3.1
255.06590	6.9
261.09015	2.3
262.06323	2.9
263.06970	2.4
263.10684	6.3
264.07843	2.1
270.08875	17.7
271.09537	6.6
279.10165	9.0
283.09674	5.6
291.10172	15.2
292.10849	2.2
296.10214	3.9
299.05756	2.2
300.06223	3.0
305.11566	2.2
311.12784	16.1
313.07101	22.7
313.10471	3.4
323.09262	4.2
323.12711	24.0
331.11752	4.8
341.10059	5.7
341.13821	20.4
359.07770	22.1
359.14954	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	359.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69979	2.2
55.01871	4.3
55.05518	3.3
56.53830	2.0
56.54234	2.2
69.03441	7.5
69.26675	4.3
69.27079	15.9
70.06602	4.7
71.04998	2.4
79.05501	2.3
81.03404	4.9
83.04991	2.4
85.02917	10.5
85.06584	2.6
85.86456	2.0
86.09698	2.6
91.05484	7.7
93.07053	8.5
95.04992	3.2
97.02926	6.2
103.05462	4.5
105.07039	5.8
107.08596	15.5
108.38472	2.1
109.06515	3.3
110.68520	2.4
113.06033	4.6
115.05474	4.1
117.07021	2.7
119.04967	2.8
119.08573	3.5
121.06533	9.9
121.10197	2.3
122.03674	9.9
123.02525	2.2
125.09648	5.0
127.03941	5.6
129.07021	3.3
131.04933	15.9
133.10158	8.8
135.04427	2.5
135.11726	4.6
137.05986	100.0
141.05457	2.1
143.04933	3.1
144.05693	4.2
145.04961	3.0
145.06451	2.8
147.04439	3.2
149.06058	4.4
151.03940	6.1
151.07623	2.7
157.06462	3.1
160.05222	6.4
160.32744	2.4
161.09717	3.5
163.03929	4.4
163.07584	7.3
172.05205	5.1
174.06807	4.2
175.07576	33.7
177.05531	2.7
179.07140	4.1
179.10745	7.4
183.75888	2.4
185.11722	2.9
187.07562	43.0
189.09103	10.8
197.11745	33.4
199.07768	2.6
202.07896	2.6
203.08636	6.4
215.74536	2.2
217.08675	9.6
218.07239	2.4
219.08109	8.2
221.05788	2.6
227.07193	3.2
227.12657	5.2
231.08069	7.7
232.09035	2.9
247.07649	5.7
248.08450	7.5
251.10780	6.6
253.08900	2.2
259.07639	4.7
261.09244	2.4
263.07181	3.7
263.10739	7.1
264.07559	3.0
265.08630	3.0
270.09015	7.7
271.09653	3.8
273.72372	2.2
276.07849	2.8
277.08527	2.9
279.10281	11.9
281.08392	3.4
291.10205	26.6
293.08148	2.2
296.10608	5.7
308.10461	2.7
311.12790	21.0
323.12833	24.1
329.13831	33.6
341.13641	12.4
359.07590	19.0
359.13226	8.6
359.16901	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	(-)-Dehydrodiconiferyl Alcohol
Peak:m/z	Relative Intensity
50.49630	3.0
65.46829	3.0
65.58909	2.7
65.97667	2.7
69.57240	17.4
70.06591	2.9
93.40181	2.9
94.04142	3.3
96.90578	3.2
103.05465	7.2
106.23760	2.7
109.06464	3.3
112.94606	3.4
115.05428	4.0
122.03637	7.5
129.06998	8.5
131.04932	23.1
137.05981	100.0
143.04919	3.5
144.05717	3.6
145.02861	13.5
147.04419	5.1
149.05923	5.3
151.03918	9.2
151.07506	3.1
153.05533	3.2
157.06487	8.6
160.05161	8.1
161.06039	3.6
163.07564	7.7
172.05251	7.4
173.05911	3.1
173.71013	2.9
174.06728	6.5
175.07542	44.1
177.05496	21.4
179.07094	9.1
187.07541	72.5
189.09023	14.7
199.07492	4.6
203.08478	6.2
217.08678	18.2
219.08043	8.0
227.06920	4.4
231.07983	7.0
235.07565	4.0
240.07825	3.0
247.07538	5.3
248.08281	9.0
251.10649	3.4
261.09052	3.6
263.10699	9.2
264.07913	3.5
265.08435	5.0
270.08884	8.8
276.07999	5.5
279.10123	11.6
283.09689	3.8
291.10175	20.1
296.10648	4.1
311.12775	19.4
323.12802	25.7
341.13690	15.1
359.14935	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	359.1489
Annotation	Negundin B
Peak:m/z	Relative Intensity
59.55919	4.0
62.39441	4.1
63.24493	4.0
69.93719	19.7
76.07983	3.9
93.30009	4.8
98.21411	6.2
103.05509	5.9
115.05473	4.4
119.04927	4.6
122.03674	9.4
125.53929	4.3
125.54865	4.3
129.07057	4.9
131.04916	9.3
137.05989	100.0
138.06303	8.8
143.04893	6.3
147.04405	6.7
151.03912	17.8
151.07474	7.1
153.05463	5.8
158.96674	4.7
161.06007	5.6
169.32674	4.1
172.04977	5.6
174.06670	4.8
175.07582	17.5
175.91100	4.7
187.07549	34.7
189.09145	11.7
192.02606	4.2
201.09132	4.3
203.08598	5.8
217.08632	10.3
227.07080	17.5
231.08105	11.2
233.05833	5.5
235.07430	4.8
240.07855	8.7
242.50932	5.1
248.08360	9.6
255.06544	15.0
263.10666	14.8
269.08179	4.9
270.08908	37.0
271.09683	15.5
276.07898	7.3
279.10117	7.9
283.09827	8.3
291.10211	29.4
308.10788	5.5
311.12585	7.8
323.12717	32.4
341.13797	18.4
359.14331	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	359.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
69.35273	1.7
71.47657	3.3
79.05465	2.4
83.04990	2.1
103.05471	58.0
105.07047	3.3
114.53939	1.8
115.61771	1.8
119.04947	2.9
119.08662	2.2
121.06491	5.5
122.03611	2.1
127.18558	1.8
127.25302	2.0
129.07018	3.7
131.04941	100.0
131.08556	1.9
135.04366	2.2
137.05020	3.2
137.05997	48.4
149.05861	2.2
151.07578	3.3
161.05939	3.2
163.03909	13.3
163.07552	28.3
172.05136	3.4
174.06706	4.3
175.07564	21.0
179.07045	5.5
187.07532	32.6
189.09126	6.6
197.11725	2.4
217.08609	9.0
219.08034	4.3
231.08102	4.2
247.07602	5.3
248.08388	3.3
263.10632	5.7
264.07758	2.8
279.10193	3.8
291.09998	8.9
296.10266	3.0
311.12662	10.3
323.12799	11.8
336.97809	1.8
341.13815	11.8
359.16370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.7
53.69433	2.1
55.05520	27.8
57.07086	3.0
57.74726	3.0
63.17417	2.2
67.05502	9.5
69.03437	3.8
69.07086	3.5
69.62141	5.7
69.62563	9.1
70.06596	3.9
72.08157	2.7
73.84835	2.1
81.07029	3.6
83.04987	49.3
84.08131	2.9
85.02922	3.5
85.06552	100.0
91.05495	3.8
93.03453	3.2
93.07053	7.0
93.34351	2.6
95.04983	15.7
95.08627	4.6
95.75018	2.1
97.02893	4.6
97.06544	4.8
101.06017	7.7
102.36073	2.2
103.05481	4.2
105.07053	3.5
107.04894	2.8
107.08629	4.3
111.04445	10.9
117.03381	3.7
121.02899	2.5
121.10161	5.7
122.03671	4.0
123.08094	2.8
129.07059	3.3
131.04933	8.6
131.08540	2.6
133.10164	3.4
137.05992	65.9
139.03894	5.6
139.11188	10.7
145.02858	10.8
147.11285	2.4
149.05972	3.3
149.09621	4.5
151.03958	12.3
157.06416	4.4
160.05240	6.0
163.07542	7.2
167.10693	18.9
168.07233	2.3
172.05159	3.0
174.06750	7.1
175.07564	29.3
177.05452	24.4
177.09154	2.9
179.07034	4.9
187.07579	40.3
189.09106	8.4
191.08698	3.2
193.08611	4.8
197.11650	3.4
203.08475	3.5
205.08655	2.5
217.08598	12.5
219.08138	4.7
224.78928	2.4
227.07054	4.4
231.08156	3.9
235.07799	2.5
247.07661	3.5
248.08282	4.9
249.56784	2.5
253.08597	2.8
255.06664	2.9
257.10233	80.3
263.10699	4.2
263.13358	2.2
265.08743	4.1
270.08908	8.0
271.09683	2.7
279.10126	10.2
281.08374	5.0
291.10202	14.5
292.10916	2.6
296.10260	3.3
297.11038	2.5
311.12735	10.1
313.10629	5.3
323.09494	3.7
323.12708	17.9
323.18680	2.8
331.11649	2.9
341.10104	5.6
341.13690	8.0
341.16104	9.5
359.11005	2.5
359.16846	22.7
363.32288	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	359.1705
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03949	0.8
54.11211	0.5
55.01860	1.1
55.05479	0.6
56.08503	0.5
56.96552	0.5
57.03429	0.7
60.83683	0.5
61.02930	0.6
67.05494	1.6
69.03424	2.3
69.07066	0.9
70.06573	1.3
71.04986	0.7
79.05483	1.4
81.03409	1.6
81.07049	2.1
83.05004	0.6
84.08131	1.1
84.77166	0.5
85.02431	0.5
85.02913	7.0
86.09673	0.8
91.05486	3.7
93.07053	6.4
95.04960	2.2
95.08616	0.7
97.02892	2.6
97.06506	0.7
98.20769	0.9
98.21463	1.8
98.97581	0.5
99.04464	1.1
103.05501	0.8
105.07026	4.9
107.04976	0.5
107.08604	19.4
109.02840	0.6
109.06512	1.0
109.10146	1.9
111.04427	0.9
118.84326	0.5
119.04958	0.5
119.08566	2.0
121.02815	0.6
121.06513	5.4
121.10127	1.1
123.04456	1.2
123.11685	0.7
127.03931	2.0
127.20647	0.6
130.05005	0.6
130.32191	0.4
133.10146	17.4
135.08063	0.6
135.11708	18.2
137.05974	2.4
137.09628	1.5
143.08571	0.7
145.05006	1.0
147.04355	0.7
149.09610	0.8
151.11194	1.6
161.09644	10.0
167.10681	1.2
179.10687	30.3
186.07974	0.6
187.07584	0.6
197.11745	100.0
198.12077	1.3
205.07077	0.7
341.16147	0.6
359.13113	1.8
359.17108	2.4
371.15588	0.5
384.75494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01843	1.6
55.05270	2.2
55.05517	34.0
56.96560	2.5
57.03442	6.5
57.07065	5.4
61.02929	7.0
65.03928	3.0
67.05505	11.8
69.03432	17.6
69.40407	10.3
70.06588	4.4
71.04988	4.8
71.30477	1.2
72.08160	2.9
73.02911	5.4
73.06572	1.4
79.05504	1.9
81.03402	5.4
81.07055	2.0
82.99890	1.9
83.04984	59.1
84.08147	1.7
85.02909	36.3
85.06548	89.9
86.03239	1.4
86.09694	3.6
87.04458	4.1
89.23826	1.2
91.03970	1.7
91.05476	5.7
93.03401	3.5
93.07043	3.9
95.04975	18.3
95.08599	2.0
97.02898	14.4
97.06532	5.9
98.97598	18.9
99.04435	3.6
101.00902	20.5
101.06006	8.6
102.96838	1.5
103.05467	3.2
103.07616	1.4
105.64309	1.3
107.01814	1.5
107.08569	1.3
109.02871	3.1
109.10171	2.1
109.55197	1.3
111.02082	2.1
111.04451	15.5
112.03722	1.7
116.98639	4.8
119.01910	17.1
119.04925	2.6
120.02588	3.7
121.02880	3.1
121.06539	1.3
121.10153	3.9
123.08044	1.7
127.02425	2.0
127.03945	11.1
128.98647	2.0
129.03096	3.2
129.05460	4.3
131.01900	1.7
131.04910	4.0
133.03447	1.9
134.99580	1.5
137.05988	27.4
139.02386	3.1
139.03923	5.8
139.11145	4.7
141.03117	1.7
143.01903	7.4
143.02881	1.5
144.02037	1.9
145.01721	2.0
145.03450	4.4
145.04944	11.6
147.04385	2.2
149.09595	2.9
151.03856	1.6
156.03627	2.2
156.97466	1.5
157.03458	14.1
157.04851	2.9
158.99609	2.2
161.01382	1.3
161.02916	6.1
161.05887	1.7
162.03514	2.2
163.04034	3.8
163.07513	2.3
167.06967	2.3
167.10695	8.8
169.03525	1.9
171.04074	3.0
175.04552	5.2
175.07545	1.9
177.05605	1.8
179.02267	1.9
179.07030	1.5
185.06584	3.0
187.07463	3.2
192.04636	4.7
193.08600	7.1
194.07109	21.6
194.57211	3.5
195.05083	2.0
197.08205	1.6
201.05243	7.2
202.06006	18.9
202.56117	2.5
205.05537	6.8
211.09677	4.9
221.03268	3.1
223.06602	19.3
224.06700	1.6
239.04240	8.1
241.07678	4.0
257.10223	100.0
265.07736	3.2
267.07236	1.6
268.08060	8.9
269.07855	10.9
281.05298	2.3
314.08398	3.1
341.12308	1.7
341.16019	16.4
343.06665	2.1
358.10864	4.8
359.11829	27.6
359.16968	26.6
360.12024	1.3
373.09000	2.4
373.13483	13.3
374.13458	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1703
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03939	0.8
55.01875	0.8
55.05505	1.1
56.54410	0.3
57.03425	0.8
61.02917	1.4
67.05505	0.7
69.03439	2.7
69.07067	0.6
70.06580	0.5
71.04984	0.6
71.55978	0.6
73.02907	0.8
79.05490	1.6
81.03411	0.7
81.07058	2.0
85.02426	0.6
85.02911	9.4
91.05473	3.2
93.07046	6.0
95.04981	0.7
95.08606	1.0
97.02895	2.7
97.06558	0.5
99.04415	0.7
105.07046	6.5
107.08602	31.6
109.02851	0.8
109.06528	0.8
109.10140	2.0
111.05601	0.5
119.08584	5.0
121.06491	2.6
121.10151	5.4
123.04387	0.5
123.11711	1.1
127.03929	1.5
131.08566	0.6
132.48543	0.4
133.06395	0.4
133.10146	17.2
135.11679	0.7
137.05997	3.1
137.09630	0.7
138.06342	0.9
139.07533	0.7
143.08575	1.0
145.04926	1.1
149.09645	4.6
151.03943	0.6
151.07539	0.8
151.11197	7.3
161.09648	4.7
167.10684	12.0
179.10678	14.9
197.11746	100.0
198.12050	1.8
341.20590	0.5
359.14038	0.6
359.17032	0.4
371.15512	0.5
379.82214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01870	6.8
55.05514	25.9
57.03427	8.1
57.07069	7.5
61.02922	7.1
67.05511	36.8
69.03442	19.6
69.06726	2.3
69.07079	37.2
71.01365	2.8
71.04988	10.2
71.36945	4.6
73.02911	6.2
79.05498	19.0
81.03419	16.6
81.07063	71.6
83.04978	8.0
83.08630	22.9
84.45440	1.9
85.02430	2.5
85.02916	41.9
85.06531	7.4
87.04479	4.4
91.05499	14.7
93.07056	33.3
95.04981	16.8
95.08616	100.0
97.02897	19.7
97.06539	4.2
97.10182	25.3
98.20811	1.9
99.04464	8.8
99.08112	19.1
103.03950	5.5
105.07042	34.5
107.04977	12.2
107.08602	40.2
109.02872	5.3
109.06509	7.2
109.10167	83.9
111.04440	13.1
111.08112	11.8
111.11735	3.0
113.06038	2.4
113.09655	5.3
115.03957	3.2
115.05445	2.0
115.11212	1.8
117.07057	5.0
119.08593	34.9
120.08039	2.5
121.06501	8.9
121.10151	38.8
123.04436	5.1
123.08073	5.5
123.10810	4.0
123.11715	81.4
125.05967	2.1
125.09650	4.2
125.13315	3.2
125.26320	2.3
127.03933	8.5
129.05511	12.5
129.06993	7.0
131.08563	16.1
133.04948	3.0
133.10135	27.3
135.08061	5.4
135.11720	17.8
137.06009	3.4
137.09618	3.9
137.13252	12.3
139.03954	2.0
139.07585	4.5
141.05470	2.6
141.07021	3.3
143.07027	4.8
143.08617	9.1
145.04933	4.6
145.06543	2.0
145.10146	23.0
147.08018	5.2
147.11668	16.4
149.09698	4.4
149.13304	13.2
151.07593	4.0
155.08565	4.8
157.10152	12.1
159.06546	5.7
159.11670	20.6
161.09647	5.7
161.13251	18.3
163.11139	2.2
163.14844	17.8
165.09070	2.7
165.16406	6.3
169.10114	6.0
171.11699	8.1
173.08076	2.4
173.09659	4.2
173.13254	13.9
175.11194	2.9
175.14839	19.4
177.12764	3.0
177.16385	46.7
178.08575	3.0
179.17970	37.0
181.08540	3.2
181.10086	3.5
183.11661	6.3
185.13263	6.1
187.11139	1.9
187.14850	11.0
189.12790	3.6
189.16397	19.9
191.10692	4.2
191.14299	2.2
191.17960	13.0
195.11713	4.8
197.18971	14.8
199.09595	4.7
199.14832	4.7
201.16402	18.0
203.17975	22.8
205.15915	3.8
207.17426	10.3
209.13370	2.7
211.14774	14.4
213.12735	3.9
213.16431	7.1
215.17952	20.7
217.10698	3.2
217.15831	2.7
217.19495	2.3
219.17447	6.0
221.19064	6.2
222.90721	2.2
225.16367	3.0
227.12831	5.9
227.17938	11.7
229.15892	6.7
231.17416	3.8
233.19034	12.5
237.18619	2.3
241.19608	4.5
243.17699	2.2
243.48991	1.9
245.18951	11.1
247.17090	2.2
251.17996	5.6
251.20198	4.5
257.19046	6.7
261.18610	2.5
263.20041	6.3
269.19012	24.2
275.20096	5.9
287.20059	30.4
293.21075	4.7
305.21136	32.1
323.22168	35.9
341.23282	12.8
359.24344	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	359.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	15.1
57.03435	4.5
57.07078	100.0
61.93694	2.7
67.05505	29.1
69.07069	20.4
70.06591	9.4
71.08632	74.8
78.38955	2.6
81.07056	42.5
83.08620	26.4
84.32217	2.8
85.10180	37.0
87.04467	3.0
88.07613	9.4
95.08611	52.4
96.68958	3.4
97.10158	27.7
102.09138	2.8
105.03730	10.8
106.08631	4.8
106.85390	2.8
107.08566	3.8
109.10156	30.5
111.11705	10.1
122.06391	4.7
123.11696	12.9
137.05988	17.1
137.13318	3.9
151.14784	5.6
153.64650	3.1
156.07677	2.9
210.68282	2.4
267.26819	20.1
285.27786	7.3
296.29449	22.5
341.30539	67.5
341.35132	4.0
341.36276	3.6
346.31882	2.7
359.29962	3.3
359.37146	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
63.22256	0.4
64.03049	0.5
64.69318	0.4
66.47395	0.4
69.03431	0.5
69.74509	2.8
70.02964	0.6
73.88375	0.5
77.03907	0.5
81.03408	0.5
91.05492	4.5
93.07059	7.6
95.04983	1.1
98.21420	0.9
103.05464	5.0
105.04515	0.7
108.54001	0.5
120.04493	1.5
121.06516	100.0
122.06862	0.9
138.05519	1.4
143.35492	0.5
148.03957	1.2
151.06316	2.6
152.07062	3.5
164.07098	1.2
166.05023	7.5
178.08701	0.9
180.06572	33.0
191.70862	0.4
208.06033	2.6
209.85738	0.5
222.07690	1.7
240.08749	1.5
286.10703	5.2
328.11761	1.4
360.14468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75974	0.3
51.01558	0.3
53.03944	0.3
56.96560	1.0
65.03946	0.5
67.66972	0.2
69.03443	0.3
71.05000	1.4
71.57442	0.5
84.96000	0.4
85.02908	1.8
85.09672	0.3
91.05489	4.9
92.05036	0.3
93.07042	0.6
95.04997	0.3
97.02871	0.3
98.97609	0.4
101.91824	0.2
103.05474	0.6
104.04994	1.0
105.05772	0.4
106.06550	0.3
117.16644	0.2
119.04969	3.2
120.08124	0.4
120.76524	0.3
121.06507	3.5
122.06077	1.4
122.06821	0.4
122.75625	0.2
127.03925	0.6
134.05081	0.3
134.06046	0.9
137.05988	13.6
146.05995	0.3
146.80481	0.3
147.04422	0.4
147.92841	0.2
148.04803	0.3
149.02332	0.3
150.04497	0.3
150.05515	10.9
164.07077	100.0
165.05444	0.4
165.07436	0.8
166.08690	0.3
178.08691	0.4
180.06534	1.0
188.27721	0.3
189.22530	0.3
222.07674	0.6
224.09299	0.5
286.10754	9.8
287.10992	0.4
360.14304	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
59.71160	0.5
67.05505	0.6
69.03418	1.0
71.57409	0.8
85.02904	1.9
91.05476	2.7
92.04997	1.3
93.07056	2.8
95.04976	1.2
97.02881	0.7
103.05462	2.5
105.04540	0.6
106.59946	0.6
107.07312	0.8
109.02888	1.0
110.06026	0.5
119.04903	0.7
120.04472	2.2
121.06512	27.0
127.03929	1.9
130.18538	0.5
132.01320	0.6
134.50095	0.5
137.05971	3.0
138.05531	1.2
143.95668	0.6
146.06044	0.7
148.03937	1.4
150.05576	0.8
151.06291	5.3
152.07071	11.2
164.07062	7.1
165.05563	1.5
166.05000	9.4
174.96564	0.6
178.08676	1.4
180.06569	100.0
181.06850	1.1
187.06096	0.8
191.14377	0.8
198.14656	0.5
205.07085	1.3
216.52405	0.6
222.07668	1.6
246.07962	0.6
246.51097	0.5
286.10782	9.6
360.14243	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	360.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
69.59960	2.8
70.02936	0.5
73.58394	0.4
83.95880	0.4
85.02908	0.7
89.55313	0.4
91.05485	5.0
92.05009	0.5
93.07053	8.6
95.04964	1.1
97.02855	0.6
103.05477	4.9
111.91651	0.4
120.04477	1.3
121.06510	100.0
122.06848	0.7
137.04825	0.4
137.05975	1.0
138.05489	1.1
148.03969	1.5
150.05505	1.0
151.06320	2.1
152.07091	3.6
154.05046	0.7
155.41461	0.4
164.07065	6.2
164.08377	0.5
166.05019	7.4
178.08690	0.9
179.09077	0.4
180.06567	27.8
194.06828	0.4
208.05998	2.4
222.07683	1.1
230.12044	0.4
240.08730	1.2
268.09659	0.4
286.10703	5.0
314.13812	1.1
328.11816	0.8
342.13440	1.5
360.14444	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38879	0.2
65.03938	0.4
71.57816	0.2
77.01248	0.2
81.07085	0.3
82.15411	0.2
85.02911	0.3
87.35432	0.2
91.05485	5.5
92.05788	0.3
94.03594	0.2
101.00523	0.2
104.04987	1.0
105.05743	0.3
105.17699	0.2
107.05001	0.2
109.06494	0.3
110.06014	0.4
111.26454	0.2
119.04949	3.4
120.08127	0.5
121.06477	1.6
122.06039	1.5
131.04955	0.3
134.05995	0.6
134.06908	0.3
137.05986	18.6
138.06325	2.0
150.05513	10.5
151.07484	0.6
152.07904	0.5
164.07076	100.0
164.65924	0.3
165.05469	0.5
165.07495	0.6
166.08623	0.5
167.06978	0.3
171.14658	0.3
176.07948	0.3
178.05014	0.6
178.09427	0.3
180.06525	0.5
182.08115	0.6
188.07916	0.4
218.08865	0.3
224.09192	0.9
286.10736	9.1
318.13382	0.3
342.14493	0.3
359.73462	0.7
360.14972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
53.78818	2.0
55.01872	8.1
57.03432	8.5
57.69947	1.6
61.02919	5.1
63.52748	1.7
69.03072	3.0
69.03432	33.8
71.56433	1.9
73.02912	5.2
76.07165	1.5
81.03421	3.2
83.67025	1.4
85.02911	100.0
86.73338	1.9
87.04412	2.2
89.03920	8.7
97.02895	32.0
99.04453	8.1
101.02386	5.3
107.04958	2.5
109.02875	6.2
115.03957	3.6
117.03387	6.2
119.01938	2.1
127.03927	69.9
131.04915	2.4
135.04445	9.6
135.05298	1.5
137.06029	1.7
143.01912	1.5
145.02866	6.3
145.04970	66.1
161.02907	2.1
163.02547	3.2
163.03920	58.2
163.05983	14.1
164.04272	3.1
169.03430	5.7
180.08644	3.4
181.04993	2.7
185.02924	2.9
187.04567	3.4
197.02943	2.8
210.95642	1.4
215.04065	2.4
245.05112	7.0
275.06174	15.8
276.06299	2.3
287.06110	1.8
360.11792	3.7
377.09433	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03941	0.8
54.52695	0.4
55.05510	0.7
57.03430	0.6
61.02922	0.8
69.03432	1.6
69.22124	2.3
69.22549	1.3
71.27179	0.3
76.01431	0.3
81.03431	0.5
83.04998	1.1
85.02914	5.1
85.06556	1.4
85.68813	0.3
86.06872	0.7
86.09701	0.9
91.03983	0.4
95.04998	0.5
97.02933	1.7
101.06016	0.4
103.05479	34.7
111.04450	0.5
123.79431	0.4
127.03983	1.0
131.04941	100.0
132.05246	0.7
137.06015	1.1
145.04961	1.3
163.07558	37.3
180.08698	0.7
180.10179	0.7
181.05006	0.5
181.08653	0.6
191.03183	0.7
192.03445	0.6
198.11319	1.0
257.10254	0.7
258.10574	1.8
258.17026	0.5
360.17191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2535
Annotation	Corumdizinine
Peak:m/z	Relative Intensity
51.61822	0.1
70.97329	0.2
70.97672	0.3
71.41806	0.1
80.09019	0.2
81.07029	0.2
91.05475	0.6
92.05811	0.2
94.01328	0.1
103.84111	0.1
104.71810	0.2
112.01081	0.1
119.04984	0.2
120.05196	0.2
120.07266	0.2
121.06490	0.2
123.48969	0.1
137.06009	1.3
138.06308	0.6
156.08073	0.4
169.10190	0.2
170.09653	1.0
171.10425	0.9
172.11223	1.4
173.12021	5.9
180.06659	0.1
184.11224	1.4
185.12018	3.5
186.12758	0.5
187.13486	0.2
198.12782	0.6
199.13579	0.4
200.10727	1.1
208.11078	0.2
212.14294	0.7
214.12350	0.2
217.11081	0.2
226.12331	0.9
227.16516	0.2
228.13916	1.4
229.14618	0.5
240.17485	1.5
244.13457	0.2
254.19070	1.4
255.19830	2.7
258.14954	0.5
262.14539	0.3
268.20569	1.3
272.16501	0.2
276.15933	0.8
280.20651	0.2
284.19885	0.2
288.15933	4.1
289.16611	0.2
298.21704	1.2
300.23367	0.3
302.17477	0.4
316.22504	0.8
344.22229	0.6
360.25339	100.0
361.25739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
54.32619	2.7
55.01868	4.6
55.05514	36.7
56.96569	4.0
59.05005	4.2
59.89272	2.8
65.03951	3.5
67.05506	71.7
69.03417	4.2
69.07064	46.1
69.91585	8.7
69.91996	5.5
71.04996	81.8
73.06552	7.5
76.12509	2.6
78.70110	2.5
79.05493	64.7
81.07063	40.1
83.04967	5.4
83.08620	22.2
85.02887	4.6
85.06554	5.8
87.08094	3.0
91.05488	38.0
93.07043	72.5
95.04969	5.4
95.08613	42.3
97.02922	6.3
97.06528	13.1
97.10171	32.1
98.97593	7.4
103.05486	4.7
105.07018	28.2
107.08598	65.5
109.06507	4.9
109.10162	53.8
111.08073	6.6
116.98646	3.2
117.07022	6.7
119.04945	4.2
119.08612	22.8
121.06528	10.1
121.10151	74.6
123.11687	8.8
125.09633	27.1
131.05017	3.0
131.08574	8.0
133.10152	14.3
135.11647	6.3
137.06026	9.2
137.09624	3.0
138.06314	3.6
145.10146	8.6
147.04401	11.3
147.11711	9.8
149.09587	10.4
149.13304	3.5
151.11121	3.6
152.24532	2.4
153.09198	3.8
153.12759	51.3
154.43802	2.8
155.10675	19.7
159.11703	9.6
161.13240	4.1
163.03911	10.7
163.11201	6.0
173.10236	6.0
173.11745	100.0
173.13150	5.5
177.05487	5.1
181.12151	3.0
189.11223	37.5
189.45897	2.8
190.14455	3.6
195.13719	3.0
213.14754	3.6
219.01787	3.2
227.16460	12.5
257.18985	8.5
275.20071	75.2
277.71887	3.0
293.21143	8.2
307.22607	3.2
315.10635	3.3
351.14661	4.6
360.14667	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	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01879	9.0
55.05513	43.0
56.96578	8.8
59.04997	4.7
67.05510	88.5
69.03423	7.7
69.07072	87.7
71.05000	100.0
71.31926	6.8
73.06556	7.2
76.02145	4.3
79.05496	84.9
81.07061	72.0
83.04990	5.8
83.08623	22.3
85.06511	5.5
91.05476	34.6
93.07050	94.0
95.04981	7.4
95.08611	46.5
97.02917	8.4
97.06525	12.0
97.10176	33.9
98.97569	19.8
105.07044	26.9
107.08601	55.2
109.06517	4.8
109.10162	64.7
110.97594	5.4
111.08083	5.2
117.03371	5.8
117.07011	5.5
119.08575	25.5
121.06496	21.4
121.10152	87.7
123.08085	5.0
123.11713	19.8
125.09632	24.0
131.08597	6.3
133.10135	16.6
135.11708	13.3
137.05988	5.0
145.02867	8.5
145.10138	10.1
147.04410	8.4
147.11700	8.9
149.09619	8.7
151.11163	17.6
153.12746	52.0
155.10681	30.1
159.11699	13.9
161.13298	8.1
163.03958	10.4
163.11281	5.2
173.11765	92.1
173.13181	9.5
177.05475	17.6
179.51387	4.8
189.11249	34.8
195.13800	13.4
201.00906	5.2
213.14839	6.3
227.16432	32.5
235.16919	10.4
249.07466	4.9
257.19089	5.7
269.03424	13.1
275.20078	71.4
287.04404	11.3
296.36194	5.5
307.22714	7.5
351.14755	5.5
360.13611	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	360.311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96867	3.8
67.05508	5.8
69.62837	7.5
69.63255	15.9
77.06772	3.4
81.07066	8.5
85.02919	11.0
87.04478	5.9
91.05488	9.0
93.07052	6.5
95.08626	8.7
98.43358	3.8
101.66423	3.7
103.05471	5.9
121.06498	32.9
127.03922	9.1
137.06044	4.6
164.07056	7.7
178.08690	7.0
187.06119	5.1
205.07083	5.2
222.07719	6.8
242.52318	4.7
279.23126	6.7
319.21191	4.7
334.83414	4.4
337.22327	6.6
360.25378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46003	2.9
51.64288	3.2
55.01850	3.2
57.03437	4.9
61.02935	6.9
67.80864	3.2
69.03426	10.2
70.30930	12.3
73.02935	5.1
81.03456	3.8
82.86010	3.4
85.02912	26.5
86.03231	4.0
89.03911	7.0
91.03963	4.9
97.02888	13.2
98.97532	5.3
99.04488	5.0
101.00911	3.7
103.73562	3.1
115.02411	3.3
119.01916	10.2
127.03909	13.4
128.04230	4.5
131.01872	2.9
135.04475	4.4
143.01904	5.1
145.03462	10.1
145.04976	7.7
146.05266	4.5
147.04379	4.7
148.78764	4.0
154.94206	3.7
155.01941	5.4
157.03452	4.1
161.02940	7.7
163.03912	31.5
163.06059	4.1
164.04257	7.0
169.03522	6.6
171.01424	4.9
172.95250	4.0
173.02971	7.9
183.05132	6.0
187.04518	8.5
197.03047	4.6
201.02884	2.8
215.03995	6.2
221.05081	4.0
223.06516	4.2
241.02014	3.3
245.05104	9.4
251.06149	3.9
255.03683	3.7
257.01404	3.5
263.06509	3.9
264.07532	3.5
275.06113	4.7
329.03555	16.2
361.05185	100.0
367.10809	4.9
382.36844	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	361.1282
Annotation	Barbatic acid
Peak:m/z	Relative Intensity
50.04377	0.3
50.29915	0.3
51.02367	0.5
51.66055	0.3
53.03951	2.2
59.34092	0.3
70.57393	1.1
70.57769	0.5
77.03921	0.4
91.05491	7.2
91.22658	0.3
93.03410	0.4
93.06471	0.6
93.07050	10.7
94.07357	0.4
95.04988	1.9
98.21396	0.4
103.05474	8.2
105.04510	0.7
119.04964	0.7
121.06512	100.0
122.06822	1.0
137.05998	3.4
149.02382	1.6
151.03905	0.7
153.05489	0.5
155.47688	0.4
167.07108	0.4
167.08560	0.4
181.04956	2.2
181.06360	0.4
195.08083	1.1
213.09230	0.4
223.07658	1.0
233.06093	1.0
238.06429	0.5
251.07187	0.8
269.08047	1.7
283.10007	0.4
287.09192	1.5
301.10757	1.3
361.13187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01883	0.3
63.61351	0.3
65.03945	1.9
69.71024	1.1
69.71436	0.7
79.05486	0.8
81.07059	1.0
91.05486	27.8
93.07047	0.3
95.04955	0.4
107.04956	0.4
109.06547	1.7
114.79778	0.3
119.04954	16.4
121.06517	0.9
128.37889	0.3
135.04404	0.3
137.05986	100.0
138.06334	1.0
151.03914	2.8
165.05486	16.7
178.59135	0.3
184.95317	0.3
275.57852	0.3
287.09244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
51.78037	0.2
52.91088	0.2
53.03951	1.9
55.01862	0.3
65.03941	0.3
67.05500	0.3
69.29944	0.9
69.30379	1.5
71.05020	0.2
75.63365	0.2
77.03934	0.7
79.05496	0.4
81.07047	0.8
91.05486	7.2
93.03368	0.4
93.07047	9.1
95.04970	1.5
103.05475	7.6
105.04518	0.6
110.77979	0.3
119.04942	0.7
121.02886	1.1
121.06510	100.0
122.06825	1.0
123.11700	0.6
137.05988	3.9
149.02353	1.0
153.05469	1.1
163.03813	0.4
165.05489	1.1
167.03448	0.4
167.07011	0.4
169.11963	0.3
181.04980	3.2
191.03429	0.3
200.50891	0.2
205.94017	0.3
223.05740	0.4
279.64227	0.3
319.77524	0.2
361.13971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
57.43251	0.3
65.03934	2.2
67.05521	0.5
70.78828	0.6
73.07932	0.3
79.05487	0.8
81.07062	1.2
81.50165	0.3
91.05489	35.4
92.70383	0.3
93.07045	3.8
95.04964	1.1
103.05484	2.9
105.03424	0.4
105.04533	0.5
109.06512	1.8
114.19987	0.4
119.04958	17.0
121.06515	36.7
129.94743	0.3
135.04410	0.4
137.05989	100.0
138.06337	0.6
139.88965	0.3
149.02377	0.9
150.02170	0.3
151.03891	2.0
165.05493	13.5
207.06607	0.5
225.07597	0.8
253.08223	0.3
287.09122	0.6
329.67966	0.3
335.31903	0.3
361.25671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84518	0.3
51.02384	0.3
52.94585	0.3
53.03951	2.2
53.63743	0.3
54.26134	0.3
55.01875	0.5
56.96561	0.5
62.52938	0.3
64.34520	0.3
65.03947	0.4
67.05502	0.9
69.07063	0.4
69.44006	2.3
77.03904	0.6
79.05485	0.7
80.37788	0.3
81.03421	0.4
81.07044	0.8
85.02936	0.4
91.04965	0.5
91.05489	7.1
93.07058	10.9
95.04975	2.6
95.08606	0.4
98.20782	0.6
98.21436	0.7
103.05481	7.9
105.04516	0.7
105.07061	0.6
107.08548	0.6
109.92321	0.3
120.00097	0.3
121.06517	100.0
122.06856	0.7
124.27246	0.3
131.08545	0.3
148.14195	0.3
151.82335	0.3
158.17001	0.3
159.11722	0.3
167.23232	0.3
181.04964	0.9
189.58768	0.3
191.10561	0.3
250.96370	0.3
287.03491	0.3
333.15619	0.3
336.09967	0.3
356.44125	0.3
361.19809	0.9
361.23621	1.3
362.32846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03946	1.8
56.96558	0.3
62.95276	0.2
65.03946	0.6
69.07070	0.3
71.58611	0.3
77.03952	0.5
79.05511	0.5
81.03413	0.4
81.07063	0.8
83.04979	0.2
91.05484	15.4
93.03377	0.4
93.07047	9.7
94.07375	0.2
95.04967	1.9
95.08636	0.2
97.02905	0.4
98.97581	0.4
103.05469	7.8
105.04527	0.9
105.07007	0.3
107.04956	0.5
109.06548	0.5
117.03436	0.3
119.04952	5.1
119.08566	0.3
121.02891	1.0
121.06510	100.0
122.06878	1.1
123.04433	0.2
133.10146	0.3
135.04427	0.3
137.05984	29.0
138.06366	0.3
138.10820	0.2
143.08551	0.3
145.02843	0.3
147.04442	0.5
149.02362	2.0
151.03944	1.0
153.05507	0.2
163.03935	0.3
164.28706	0.2
165.05482	5.3
167.03445	0.5
167.07063	0.5
167.08437	0.2
177.05492	0.6
179.07057	0.3
180.06627	0.5
181.04964	1.6
181.06609	0.4
191.03416	1.0
205.08688	0.5
223.06001	0.7
223.07921	0.2
269.08096	0.6
287.09039	0.5
300.82025	0.2
343.24478	0.3
348.13663	0.3
348.95520	0.2
361.14462	0.9
361.25659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.7
69.07069	0.9
76.32227	0.8
79.05496	1.2
79.26492	0.7
81.07062	0.8
84.96030	1.4
88.32430	0.8
89.22450	0.7
91.05488	26.6
93.07030	1.1
109.06528	2.8
119.04960	15.7
121.06496	1.1
129.01839	1.8
137.05989	100.0
151.03955	2.8
165.05476	17.2
185.08128	1.7
287.09134	1.2
360.37213	1.4
361.26968	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38651	0.4
53.03944	0.9
55.05515	12.6
57.03435	1.0
57.07080	3.3
59.04999	1.2
59.89753	0.4
65.03934	1.4
67.05509	20.3
69.03438	1.8
69.07076	5.7
70.06587	0.7
71.04993	7.7
71.08634	0.5
71.57930	0.6
72.08138	0.4
74.06040	0.4
79.05495	7.4
81.03440	0.4
81.07059	100.0
82.07394	1.0
83.04989	1.9
83.08647	2.3
84.08148	0.9
85.02902	0.8
85.06545	6.2
86.09705	2.0
87.10033	0.5
89.03946	0.4
89.06036	3.3
89.51294	0.4
91.05464	3.0
93.03383	0.4
93.07050	9.2
95.04977	8.4
95.08610	19.0
97.06525	0.6
97.10172	12.0
98.97581	1.7
99.04472	1.0
99.08104	1.8
103.05483	0.4
105.07047	2.8
107.08597	4.6
109.06536	4.0
109.10162	3.3
111.04463	1.4
111.08101	2.7
112.11253	1.1
113.06020	1.2
116.98611	0.5
117.03391	0.5
119.04932	0.7
121.06474	0.8
121.10149	1.4
123.08080	1.4
123.11712	72.5
124.12054	0.6
129.13893	0.8
131.05011	0.4
133.10141	4.4
135.04375	0.4
135.08064	0.6
137.05968	2.2
137.78181	0.4
141.12746	4.2
145.02841	1.2
147.04414	0.9
151.11189	16.4
158.99626	0.6
163.03914	0.5
167.07028	1.5
169.12242	32.5
170.12589	0.4
177.05524	2.1
181.08722	0.5
187.03903	0.4
187.13290	13.7
187.15002	0.7
199.09564	0.8
211.07553	0.7
237.02710	0.6
243.02930	1.0
250.98735	0.4
282.12659	0.4
301.09476	0.6
319.10657	0.7
333.07104	0.7
343.17465	1.1
361.06998	4.6
361.18082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16556	0.6
52.07644	0.6
53.03953	1.5
55.05260	1.1
55.05515	14.3
57.03444	1.6
57.07084	3.3
59.05005	1.0
65.03946	1.4
67.05508	21.0
69.03433	2.2
69.07076	6.0
69.42544	4.5
71.04999	8.3
79.05496	8.0
81.07063	100.0
83.04990	2.1
83.08634	2.4
85.06551	6.4
86.09715	1.0
87.10055	0.7
89.06020	3.0
91.05502	2.6
93.07047	9.9
95.04969	7.5
95.08617	17.6
97.10178	8.8
98.97616	0.7
99.04446	1.0
99.08105	2.3
105.07034	3.1
107.08608	4.4
109.06519	3.4
109.10159	3.3
111.04465	0.8
111.08091	2.6
112.11267	1.0
113.06023	1.7
119.04986	0.7
121.10091	1.2
123.08115	1.2
123.11716	70.0
133.10133	4.6
135.08069	0.7
137.06038	1.2
141.12769	3.7
141.13710	0.6
145.02869	1.1
151.03972	0.8
151.11191	15.7
151.12372	1.1
167.07092	0.8
169.12253	33.5
177.05521	1.4
185.72377	0.6
187.13297	10.7
199.09700	1.0
249.45541	0.5
343.17618	1.6
361.07071	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	362.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62783	0.4
70.68465	0.8
70.68793	0.5
71.04977	0.8
81.07051	1.0
87.96960	0.5
91.05475	1.3
93.07043	1.5
97.02898	0.5
98.21333	0.8
98.98470	9.7
107.08607	0.9
115.48318	0.4
121.06461	0.7
125.00007	30.1
130.06541	1.2
135.11732	1.0
143.01909	0.8
148.07619	0.6
153.12753	1.4
157.29048	0.4
164.05658	1.0
164.07071	21.9
190.08641	93.0
191.09169	1.8
192.10159	1.1
196.09698	0.7
208.09747	4.9
222.11284	3.0
232.09773	1.0
235.11757	0.6
253.12849	1.9
271.13776	0.6
288.06323	100.0
289.06842	1.6
310.04321	0.5
319.83386	0.5
320.08899	1.5
356.55051	0.5
362.09647	2.5
373.17117	1.5
377.30063	0.5
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
53.03933	1.1
55.01868	1.4
56.31446	0.5
57.03432	1.4
61.02934	3.7
69.03435	6.1
69.07080	0.6
69.52395	0.5
70.06595	1.6
70.17567	2.5
71.04991	1.1
72.08148	1.3
73.02913	1.1
75.18926	0.6
79.05487	1.5
81.03423	2.3
81.07043	0.5
84.04492	1.0
84.08141	1.1
85.02913	22.6
85.06548	1.6
86.09711	0.9
87.04508	0.7
91.03973	1.3
91.05490	1.4
95.04974	0.6
97.02913	6.9
98.20853	0.9
98.97592	0.7
99.04449	0.9
103.05486	1.5
105.07043	15.2
107.04945	2.0
109.02894	2.2
117.03414	0.6
119.04955	1.2
121.06535	1.5
122.03648	1.3
123.04432	1.6
127.03928	3.4
131.04941	0.7
133.06503	42.9
137.05989	100.0
138.06290	0.8
145.04993	6.1
161.05975	1.1
163.04086	0.7
163.06010	0.6
165.05489	1.5
165.09126	33.0
167.07048	1.1
177.54628	0.6
180.08678	3.4
180.10114	0.8
183.10184	38.7
184.10501	0.6
200.04108	0.8
200.12897	0.8
253.42899	0.6
314.63242	0.7
362.08850	0.8
362.19022	0.8
380.98831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01868	1.5
56.96562	0.6
57.03423	1.6
60.04524	0.6
61.02935	2.5
61.62431	0.5
69.03429	5.9
70.06586	1.9
71.04957	0.8
71.47010	0.8
72.08131	1.0
73.02914	1.1
75.68408	0.5
78.79779	0.5
79.05471	1.4
81.03412	2.8
84.08154	0.9
85.02908	24.6
85.06529	1.7
86.09721	0.5
87.04459	1.3
88.07629	0.7
91.03944	1.5
91.05466	2.0
97.02904	6.7
99.04464	1.8
103.05447	1.3
105.07036	15.1
107.04968	1.8
109.02882	2.0
109.06484	0.8
110.97554	0.6
115.05402	0.6
116.95312	0.5
119.04945	0.5
121.06521	1.4
122.03643	1.6
123.04448	1.6
127.03927	4.9
131.04909	1.0
133.06493	40.2
135.04446	0.7
137.05978	100.0
145.04970	5.8
147.04401	0.9
161.05988	0.9
165.05470	1.4
165.09117	31.8
167.07059	0.9
180.08661	2.8
183.10170	38.0
200.04092	0.8
237.02925	0.7
272.20953	0.7
342.50082	0.5
362.18808	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69914	0.4
54.29130	0.4
54.33697	0.5
55.05518	0.7
56.55028	0.4
57.03417	0.5
63.29993	0.4
65.03941	1.7
65.13405	0.4
67.05502	1.2
69.03434	3.8
71.04997	0.8
71.57947	0.5
79.05491	1.5
81.03424	0.8
81.07049	1.2
83.04975	1.3
85.02908	1.6
91.05485	34.8
93.07040	1.9
95.04974	1.1
95.08608	1.2
97.06518	0.5
99.04456	0.7
101.69419	0.4
107.08592	4.8
109.06526	2.1
109.10131	0.5
111.04469	1.3
111.08083	0.5
119.04952	17.6
119.08560	0.8
121.02867	1.0
121.06503	1.1
129.05476	0.7
135.08060	16.0
137.05984	100.0
138.06308	0.8
139.03891	2.3
147.06532	2.0
148.14876	0.4
149.02332	1.6
153.09081	2.9
163.07521	0.6
165.07646	1.3
165.09143	3.0
167.03410	3.2
167.07066	0.8
181.08568	3.0
199.09723	1.7
201.11241	1.3
303.08328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01867	4.5
55.05498	6.4
56.96564	25.7
57.03448	12.2
59.49569	2.4
61.02935	15.2
61.72173	2.5
69.03435	40.3
70.03742	2.8
70.06586	7.8
71.04971	10.4
71.57311	2.8
72.08134	9.6
73.02917	17.3
73.06514	2.9
74.06071	3.1
79.05491	3.2
81.03426	13.6
83.04961	5.6
84.08119	9.5
84.96049	6.4
85.02910	90.5
85.06568	3.9
86.03600	2.5
87.04435	7.6
89.03910	5.1
91.03954	5.8
91.05467	11.5
95.04977	3.3
97.02894	43.3
98.03204	2.8
98.97590	100.0
99.04444	9.2
101.00877	7.1
103.05470	6.5
104.05286	3.8
109.02861	8.9
110.07178	3.2
110.97565	14.7
112.07569	3.6
112.99171	3.3
115.03922	5.3
116.98627	37.6
118.06297	2.6
119.01894	17.7
119.04954	13.5
121.06495	6.9
123.02118	2.5
123.04365	4.2
124.99087	3.4
127.03937	18.9
128.42703	2.4
128.98573	14.7
129.03116	5.4
129.05457	3.0
131.00194	6.9
131.01854	7.2
131.04915	8.3
134.99675	8.1
135.04401	5.7
137.02960	2.8
137.05991	51.3
138.02563	2.6
138.06277	3.6
140.02243	2.8
142.96582	2.5
143.00146	11.4
143.01888	4.1
145.01744	5.5
145.02689	2.3
145.03444	8.9
145.04939	12.5
146.02296	5.6
146.99631	8.5
147.04343	19.0
148.00476	3.1
148.03859	3.8
149.01222	4.8
149.06075	2.8
154.03860	3.5
155.01822	5.8
155.02919	4.5
155.04649	10.0
156.03638	4.3
157.03427	4.4
158.99667	36.5
161.01227	8.4
161.02930	9.0
161.05910	3.5
162.99274	2.8
163.03905	25.4
163.07513	3.0
164.04192	4.2
167.07060	18.0
169.03442	2.9
170.03342	7.9
170.05321	3.0
170.99675	7.3
173.01257	4.0
173.02977	4.5
175.04483	3.2
176.14337	2.7
177.00722	32.0
177.05469	4.1
178.01479	2.8
179.02211	4.4
179.06989	11.3
182.03343	4.8
183.05170	3.7
184.04909	3.4
185.01299	6.1
185.02907	3.4
187.04459	4.1
189.00708	7.6
191.02391	3.6
191.03920	11.5
192.04651	19.4
192.54811	4.9
197.02997	3.0
200.04416	8.5
201.00682	7.4
201.05174	8.1
202.80609	2.6
203.04025	3.9
203.12154	5.0
205.05550	7.3
208.04915	5.8
211.55548	2.6
213.06067	3.0
217.05464	4.7
219.01767	30.6
220.02165	3.1
221.03242	6.7
221.05096	8.6
223.06641	3.1
227.06796	9.9
229.03824	2.9
231.11577	3.7
235.02757	5.1
236.06453	3.2
236.56541	3.1
237.02832	32.6
237.08141	14.9
237.58252	4.4
239.04379	17.0
241.03770	2.8
245.05061	6.3
247.04808	3.0
251.06825	3.1
253.03917	7.3
255.03853	3.2
263.06094	4.1
265.02341	5.4
265.07825	3.2
271.04803	3.7
271.09406	4.8
271.59497	11.4
272.06516	31.8
272.10062	24.4
272.56860	5.8
272.60013	3.2
273.07990	16.6
279.04126	3.4
280.07040	3.5
282.07910	14.2
291.04013	4.1
291.09286	4.7
293.05533	3.3
293.10938	2.9
295.04697	6.4
303.02567	4.2
303.07498	4.0
307.07101	4.2
309.08484	7.1
320.07391	4.1
321.08682	4.1
333.10135	3.5
348.06812	18.0
349.07819	8.4
354.10449	3.3
355.07422	3.6
363.12939	51.2
363.16409	16.9
381.10443	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	363.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
55.01871	0.3
67.94338	0.3
71.26674	0.5
73.98119	0.3
77.03909	0.7
91.05480	5.5
93.07043	8.6
95.04977	3.2
103.05472	7.0
105.04535	1.1
121.06511	100.0
122.06835	1.1
123.04457	0.6
151.03918	2.8
165.05495	3.5
165.44560	0.3
193.05003	0.4
197.34975	0.3
205.34537	0.3
298.17160	0.3
388.54675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
53.04180	0.4
57.43133	0.4
69.50412	2.5
69.50825	1.0
84.46471	0.4
89.45632	0.5
91.05493	6.0
93.07050	10.0
95.04967	3.5
98.20744	0.8
100.47814	0.4
103.05476	6.9
105.04545	1.0
106.11041	0.5
113.36039	0.4
118.06543	0.9
121.06513	100.0
122.06829	3.3
139.03911	0.8
144.82225	0.5
146.05977	1.0
151.03915	2.3
165.05467	3.1
176.14391	1.4
188.07126	0.5
193.04968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
63.02416	0.4
69.70267	2.2
69.70662	0.8
77.03951	0.9
77.27210	0.4
85.60755	0.4
91.05488	5.5
93.07050	8.7
95.04985	3.0
98.21009	1.3
103.05474	6.2
105.04506	0.6
121.06514	100.0
122.06844	1.2
123.46967	0.4
139.03928	4.7
169.45003	0.3
192.58075	0.4
225.07622	3.4
343.54413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
54.43341	0.3
63.91603	0.4
69.31363	2.7
69.31767	1.0
77.03929	0.5
91.05478	5.7
93.07053	8.9
95.04971	2.9
103.05472	6.5
105.04537	0.8
121.06509	100.0
122.06808	0.9
123.04473	0.7
151.03880	2.2
165.05548	3.0
182.79056	0.4
210.70862	0.4
213.22964	0.4
380.99365	0.4
388.66919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03955	1.8
55.01875	0.4
56.67497	0.2
62.02337	0.2
66.61925	0.2
69.48520	1.8
74.86613	0.2
77.03928	0.8
86.31540	0.2
91.05486	5.8
93.07056	8.1
95.04978	3.7
103.05482	7.5
105.04523	0.7
121.06517	100.0
122.06869	0.9
123.04467	0.4
151.03932	3.0
165.05505	3.5
174.79222	0.2
193.05109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
53.26248	1.3
62.24647	1.3
65.03925	1.5
66.14494	1.2
66.40652	1.3
67.05505	5.9
70.55502	4.4
73.48849	1.4
78.92142	1.4
79.05505	3.3
81.03418	1.9
81.07051	2.6
91.05479	12.1
93.07043	6.3
95.04977	58.6
97.02891	1.3
98.97586	1.5
103.05472	4.3
105.03411	2.6
105.04496	1.8
109.06554	1.9
109.43052	1.6
119.04940	4.3
121.06510	69.0
123.04433	19.3
130.23135	1.6
133.02875	1.5
137.05968	17.8
138.06306	3.0
139.03918	1.9
139.06502	2.0
147.04405	2.4
151.03911	73.3
165.05489	100.0
166.05850	2.0
167.07037	12.5
175.03952	1.8
183.06546	2.6
193.04950	12.0
207.46365	1.3
222.08446	1.4
243.10349	2.0
253.08688	2.5
258.59570	1.4
267.10236	2.4
271.09607	9.9
313.10709	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	363.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.3
53.03952	1.8
62.72528	0.3
65.03947	0.3
67.05495	0.4
69.34164	2.0
69.34592	0.8
79.05508	0.4
91.05482	6.1
93.07050	9.9
95.04977	5.1
103.03927	0.3
103.05470	6.3
105.04493	0.4
116.27563	0.3
119.04980	0.6
121.06508	100.0
122.06844	1.7
123.04431	1.5
135.78795	0.3
137.06003	1.3
146.86449	0.3
147.04405	0.4
151.03914	4.7
165.05490	5.1
167.07001	1.7
193.05020	1.3
207.06418	0.3
225.07545	1.5
266.17044	0.3
332.17325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
57.27088	1.3
67.05502	5.5
71.12890	2.2
71.13211	1.8
73.62264	1.1
74.04447	1.2
77.03937	1.5
79.05464	1.6
83.90030	1.2
91.05486	10.0
93.07037	5.1
95.04974	83.0
103.03946	1.6
103.05460	4.0
105.03441	1.6
117.08022	1.4
119.04982	6.5
121.06512	61.6
123.00790	5.0
123.04442	29.2
133.02827	1.7
135.04448	1.5
137.06006	2.9
147.04369	7.5
151.03912	100.0
152.04272	2.0
155.03383	1.7
165.05487	99.4
175.03926	4.6
183.06566	3.6
193.04987	22.3
201.96248	1.2
203.14598	1.2
203.17863	1.3
225.07564	8.3
271.09711	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	363.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
54.03089	0.6
54.38739	0.5
55.05496	1.0
55.10078	0.5
56.96559	0.9
57.07067	0.7
64.63199	0.7
67.05522	0.6
69.07058	0.7
70.06591	1.2
71.58875	0.8
72.08131	0.6
78.91339	0.5
79.05509	0.7
81.07039	2.0
82.20368	0.6
88.07647	1.2
91.05487	6.1
93.07054	9.6
95.04978	3.2
97.02895	0.6
98.97583	1.5
101.16568	0.6
103.05470	7.2
105.04561	0.6
105.07050	0.7
121.06513	100.0
122.06897	0.7
130.14670	0.6
132.10211	2.9
137.06027	1.5
139.03928	4.2
145.10107	0.9
152.61270	0.6
161.09593	0.6
164.07069	1.2
167.07085	1.2
177.05515	1.1
183.06416	0.6
205.55161	0.7
225.07637	2.1
250.04352	0.6
362.32755	3.6
363.18649	0.7
363.26257	0.7
363.33054	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	363.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05499	0.7
65.03942	1.7
69.03423	0.9
69.07039	0.7
69.73731	2.0
69.74130	1.0
75.33648	0.5
79.05490	1.4
81.07053	2.5
85.02882	1.0
91.05482	31.2
93.07047	4.1
95.04971	2.4
95.08597	1.0
98.97584	1.6
103.05450	2.4
105.07018	1.3
107.04952	1.1
107.08586	0.8
109.06524	1.8
109.10146	0.9
110.97588	0.6
119.04948	16.2
119.08607	0.7
121.06514	24.5
122.06865	1.4
123.04430	1.2
131.04886	0.8
135.04446	0.6
137.05980	100.0
138.06314	2.0
143.08600	0.6
145.10141	1.1
147.82095	0.6
149.06003	1.1
151.03912	1.6
153.05577	0.9
157.10226	0.6
158.99648	0.7
159.11697	0.6
161.01237	0.6
161.06071	0.6
165.05499	2.8
165.07359	0.5
167.07053	9.8
173.74269	0.5
177.05516	1.0
192.18501	0.5
193.08656	0.5
195.06459	0.8
201.00836	0.6
201.05446	1.0
201.16473	0.7
211.11055	0.5
219.01807	2.1
221.32051	0.4
227.09254	1.2
237.02876	1.6
239.87811	0.5
261.02847	1.0
279.03845	2.2
313.10654	0.7
315.12143	0.7
318.11154	1.1
333.13037	0.7
363.21667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05511	0.7
56.96555	0.4
57.03431	0.4
63.54271	0.3
67.05489	0.5
68.52616	0.3
69.03419	1.0
70.06593	0.5
71.04985	0.6
71.57473	0.5
72.08183	0.3
73.02911	0.3
76.92619	0.3
81.03445	0.3
81.07069	0.4
83.04998	0.8
84.08156	0.7
85.02902	1.3
85.06552	1.8
86.09717	0.5
91.05491	2.8
93.07050	0.5
93.96850	0.3
95.04975	0.3
97.02887	0.8
98.97585	1.4
105.07037	0.6
110.97556	0.7
116.98660	0.4
119.04972	1.5
121.06512	0.8
123.04444	0.8
124.54263	0.3
127.03922	0.5
128.98553	0.3
129.10182	0.3
131.04926	0.5
135.08101	0.4
137.05989	9.2
138.06357	0.4
143.01913	0.3
145.02823	0.4
151.03935	0.8
155.07083	0.5
163.03911	0.3
166.09406	0.4
167.07056	10.7
177.05516	0.4
181.04971	2.4
183.06531	0.6
183.10150	0.6
184.10516	0.4
193.08589	0.3
201.07828	0.5
201.11005	7.8
213.06708	0.3
219.01741	0.8
237.02896	0.7
260.17456	0.4
327.09790	0.6
363.16260	100.0
364.16675	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00969	0.4
63.01344	0.3
67.23042	0.4
69.34442	0.4
70.83172	1.0
79.66655	0.4
82.50758	0.4
97.49948	0.4
244.06650	0.4
277.02930	0.4
357.14438	0.4
357.19012	0.4
363.28699	100.0
364.29037	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.1
57.07061	3.0
67.05508	5.0
69.07075	9.8
70.73190	2.5
71.08623	2.5
72.08136	1.0
73.32218	0.9
79.05487	3.7
79.41906	0.8
81.07056	10.1
82.98716	0.9
83.08620	3.4
89.06061	1.5
91.05476	3.5
91.60318	0.8
93.07049	5.6
95.08604	8.8
97.06529	1.8
97.10172	1.2
105.07016	3.7
107.08616	5.1
109.06520	9.8
109.10157	5.0
111.08091	1.7
119.08586	3.1
120.29089	0.8
121.06487	1.9
121.10116	3.2
122.07224	1.1
123.08069	47.8
123.11706	2.1
132.83803	1.0
133.10147	2.3
135.08066	2.9
137.09618	4.2
137.13200	1.1
145.10109	1.8
147.11687	2.1
149.13281	1.9
159.11668	1.4
179.14319	25.0
307.22626	4.2
321.24347	1.3
331.26328	2.8
354.31458	0.9
363.28931	100.0
364.29379	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05514	3.6
55.40230	0.7
57.07084	4.9
61.82465	0.8
67.05510	5.4
67.05811	1.0
69.07071	3.7
69.26414	1.7
69.26827	5.6
71.05003	0.8
71.08643	3.9
79.05489	2.9
81.07059	8.1
83.08646	1.0
85.06530	3.3
89.06017	2.3
91.05483	2.5
93.07041	3.4
95.04985	1.3
95.08611	8.4
97.06536	1.2
97.10104	0.9
98.92977	0.8
99.08096	1.7
105.07027	2.8
105.79142	0.7
106.47700	0.8
107.08575	3.8
109.06530	18.0
109.10123	2.6
117.07054	0.7
117.50542	0.8
119.08580	2.4
121.06517	4.2
121.10148	2.8
122.07317	1.3
123.08080	27.3
123.11762	1.1
133.10175	2.0
135.08078	2.7
135.11655	1.0
137.09607	0.9
147.11667	1.1
149.09669	0.8
149.13263	0.9
159.11678	0.9
165.12694	1.2
167.14340	1.1
179.14325	91.5
180.14651	1.0
193.15909	3.3
195.12306	1.2
256.52142	0.7
289.25479	0.9
331.26315	4.3
331.60410	0.7
363.28955	100.0
364.29126	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02329	1.1
65.03941	5.3
67.05505	2.2
69.03439	1.2
69.85367	5.1
81.07050	1.7
82.99895	1.2
83.04099	1.0
91.05480	3.0
93.03419	6.9
93.07072	1.6
95.04976	1.9
101.00897	3.3
109.06566	1.5
112.67571	1.0
119.01921	12.2
119.04964	2.7
121.02879	28.1
121.06480	4.1
122.06857	3.5
123.04469	2.8
126.52721	1.2
127.02416	3.3
129.04010	2.2
131.01982	1.3
137.02969	2.2
137.05984	2.5
145.03535	2.5
147.04324	5.0
149.02351	6.9
153.03967	4.3
153.05391	5.1
153.44397	0.9
157.03500	10.5
161.02980	2.1
163.02435	2.0
164.07097	1.2
165.05391	1.5
166.77821	1.1
169.03461	1.8
171.01370	3.8
171.05038	10.6
175.04576	1.9
177.03934	1.9
179.02005	1.0
179.07068	14.8
181.03476	11.9
181.04950	94.3
182.05472	1.1
183.05074	2.8
187.04524	10.9
189.02463	1.9
191.06958	1.8
195.05046	11.5
197.02943	3.4
197.06650	1.7
199.04544	4.4
205.03506	12.5
205.05353	2.0
207.01404	8.0
207.04953	1.8
208.09668	4.1
210.06134	1.1
211.04465	1.6
213.06078	2.7
219.05052	1.6
221.02940	2.9
221.04988	1.2
223.02304	1.8
223.04524	38.5
225.02446	28.5
225.05983	2.1
226.02615	1.4
235.04659	1.5
237.06105	15.2
239.04030	22.8
241.05634	7.1
243.03520	3.8
246.06110	4.2
247.04491	2.9
248.03996	2.0
249.02457	40.7
253.05586	1.8
255.07086	10.3
257.05142	10.3
260.07733	1.8
262.05600	1.6
263.03873	1.4
265.05612	6.3
267.03519	42.9
271.06610	1.4
273.08173	8.1
275.06226	1.3
278.08698	1.2
281.05121	5.3
283.06519	1.5
287.25443	1.2
290.05161	4.3
297.08163	2.3
299.06143	10.7
304.06427	1.7
305.05072	2.0
317.07141	7.0
323.06104	25.9
341.07190	100.0
342.07367	3.6
359.08243	30.0
364.08780	13.5
364.17752	2.0
364.25122	1.4
382.09821	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	364.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01867	0.9
57.03421	2.6
61.02920	1.1
67.05492	1.3
69.03417	3.1
69.07071	5.8
69.58382	2.7
69.58808	1.9
71.04996	1.0
72.08137	0.9
75.04491	7.4
79.05499	7.9
81.07061	7.7
82.86566	0.8
83.04955	1.2
84.08152	0.9
85.02909	7.3
85.06535	0.9
86.09701	1.5
90.30834	0.8
91.04946	0.8
91.05471	4.9
93.07049	45.9
94.07380	1.0
95.04986	1.3
95.08607	7.4
97.02905	1.8
99.04455	2.4
105.07003	2.0
107.04959	3.7
107.08576	3.1
109.10148	2.5
111.08076	9.3
111.11742	5.9
121.06478	2.0
121.10152	45.3
123.08117	1.0
123.11701	4.5
125.05965	0.7
127.03942	1.3
131.08574	0.9
132.10236	2.1
137.05969	1.2
137.09676	1.1
139.11188	30.2
140.94965	0.8
145.04967	1.6
149.09631	4.4
150.31270	0.8
153.09007	0.8
155.10614	1.4
167.07062	3.1
167.10696	13.4
177.05350	1.0
181.08621	1.0
185.11745	100.0
186.12015	1.2
200.65547	1.2
224.79144	0.8
240.61095	0.7
245.85191	0.8
322.93323	0.7
329.06726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.321
Annotation	Terminaline
Peak:m/z	Relative Intensity
53.03943	2.4
55.05520	17.0
57.03425	1.2
57.07072	1.0
60.08156	2.8
60.12114	0.6
62.92195	0.6
65.03944	1.4
67.05511	38.8
69.07076	16.2
69.24091	4.0
69.24508	2.1
71.04992	1.4
73.02921	1.4
79.05499	26.4
79.05964	1.3
81.07065	31.7
83.04962	1.2
83.08639	4.2
85.06571	0.8
86.09698	1.1
91.05489	10.5
93.07053	26.2
95.04965	1.6
95.08616	24.0
97.06535	1.3
97.10166	2.7
99.04487	1.7
105.07034	6.4
107.08603	15.7
109.06567	0.8
109.10156	8.6
117.07015	1.2
119.08598	3.8
121.10159	9.4
121.93607	0.7
123.11711	2.0
131.08554	1.7
133.10133	3.1
135.11708	3.7
145.10187	1.2
147.11743	1.5
149.13306	3.2
163.14716	0.7
173.13228	0.8
275.89334	0.7
305.24783	52.9
306.25177	1.5
307.03555	0.6
361.77322	0.8
364.32123	100.0
365.32336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78498	4.9
53.03962	6.3
55.01860	10.6
55.05499	5.9
56.05017	5.8
56.96571	20.0
57.03428	8.5
58.99588	6.6
59.04989	6.2
61.02926	10.4
69.03440	25.6
69.98685	25.3
71.05003	21.7
79.05518	14.0
81.03446	6.9
81.07061	34.3
83.04996	19.5
84.96028	10.9
85.02897	59.4
85.06554	14.1
87.04470	8.1
88.02243	9.2
91.03965	7.4
91.05487	10.6
93.07065	17.1
95.04946	15.1
95.08629	7.6
97.02875	27.9
97.06550	10.9
98.97591	71.7
99.08061	6.3
102.03788	8.4
105.07024	8.5
107.08591	27.5
109.10165	13.6
110.97581	25.1
113.06042	9.2
116.98625	19.4
119.04957	8.6
121.10143	16.9
123.11692	11.9
125.09644	7.1
127.03951	17.9
128.05293	35.2
128.98625	18.9
137.09573	9.7
139.11185	6.1
140.05348	34.9
145.05016	6.2
147.04411	28.8
149.09691	11.4
151.11221	26.0
155.10657	7.1
155.37296	6.1
158.99625	11.9
161.01180	7.7
167.10693	44.1
169.12256	17.3
182.09990	7.0
185.11774	21.1
201.09464	10.4
203.12833	16.9
208.05606	5.9
219.01772	27.2
226.12650	15.7
231.08086	9.7
237.02879	40.4
239.02315	12.1
243.08038	22.3
283.08542	9.0
301.09653	10.6
311.14377	41.5
329.15271	100.0
347.16357	10.4
365.06018	41.0
365.11945	41.8
365.17514	22.8
383.06647	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	365.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78498	4.9
53.03962	6.3
55.01860	10.6
55.05499	5.9
56.05017	5.8
56.96571	20.0
57.03428	8.5
58.99588	6.6
59.04989	6.2
61.02926	10.4
69.03440	25.6
69.98685	25.3
71.05003	21.7
79.05518	14.0
81.03446	6.9
81.07061	34.3
83.04996	19.5
84.96028	10.9
85.02897	59.4
85.06554	14.1
87.04470	8.1
88.02243	9.2
91.03965	7.4
91.05487	10.6
93.07065	17.1
95.04946	15.1
95.08629	7.6
97.02875	27.9
97.06550	10.9
98.97591	71.7
99.08061	6.3
102.03788	8.4
105.07024	8.5
107.08591	27.5
109.10165	13.6
110.97581	25.1
113.06042	9.2
116.98625	19.4
119.04957	8.6
121.10143	16.9
123.11692	11.9
125.09644	7.1
127.03951	17.9
128.05293	35.2
128.98625	18.9
137.09573	9.7
139.11185	6.1
140.05348	34.9
145.05016	6.2
147.04411	28.8
149.09691	11.4
151.11221	26.0
155.10657	7.1
155.37296	6.1
158.99625	11.9
161.01180	7.7
167.10693	44.1
169.12256	17.3
182.09990	7.0
185.11774	21.1
201.09464	10.4
203.12833	16.9
208.05606	5.9
219.01772	27.2
226.12650	15.7
231.08086	9.7
237.02879	40.4
239.02315	12.1
243.08038	22.3
283.08542	9.0
301.09653	10.6
311.14377	41.5
329.15271	100.0
347.16357	10.4
365.06018	41.0
365.11945	41.8
365.17514	22.8
383.06647	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	365.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54515	2.4
57.03445	4.3
58.64412	2.1
58.92699	2.3
61.02920	7.2
69.03426	9.8
69.68252	2.4
69.94076	13.7
73.02930	5.2
85.02909	22.9
85.96214	2.6
91.03967	6.7
94.08537	2.6
97.02901	6.3
101.00908	7.2
110.84747	2.7
113.29196	2.6
127.03922	6.3
143.01956	5.8
145.04955	6.0
157.03502	6.6
184.05832	16.7
185.04239	3.8
187.04533	3.0
193.06345	25.4
193.56451	5.8
194.07166	2.6
203.05246	11.9
205.05579	3.6
223.06665	14.6
231.57094	2.5
240.00027	2.7
241.07573	3.1
245.04860	3.1
265.07684	24.8
274.08807	9.9
274.59244	3.1
277.07623	4.0
365.08640	100.0
382.03384	2.8
385.11865	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01868	1.9
55.05507	1.2
56.05029	1.1
56.96329	1.3
56.96565	14.2
57.03428	4.5
61.02932	6.2
69.03432	16.4
69.46356	5.6
69.46766	2.4
70.06593	1.6
71.04987	2.4
73.02905	4.9
74.60354	1.1
75.89281	1.0
81.03414	6.8
84.08134	2.6
84.96028	2.3
85.02908	28.0
85.06534	2.4
86.03210	2.9
87.04472	2.2
91.03954	1.8
91.56424	1.1
97.02902	15.7
98.03220	1.3
98.97593	45.1
99.04450	2.3
100.99162	1.5
101.00889	6.5
102.85135	1.0
103.00643	1.6
109.02887	3.2
110.97551	6.8
112.99131	7.1
113.00880	4.4
113.04537	1.7
115.02422	3.8
115.03889	1.5
116.98624	13.6
119.01922	6.2
119.04929	2.4
120.04727	1.0
121.01656	1.7
121.06573	2.0
124.99129	4.2
126.75874	1.1
127.02420	2.8
127.03906	7.8
128.98630	7.3
129.03998	1.4
131.00208	6.1
131.01897	5.1
131.05594	11.2
133.03464	6.2
133.04950	1.3
134.99635	2.3
135.03232	1.6
137.05972	10.0
138.06288	1.6
143.00186	7.8
143.01939	6.0
145.01753	2.2
145.03517	6.8
145.04951	5.4
146.99648	3.5
147.03331	1.4
147.04424	4.0
149.01215	3.6
149.06693	8.2
155.01895	8.3
155.05484	2.1
157.01697	3.1
157.03433	4.4
158.99683	8.6
159.03282	2.6
159.05025	4.5
161.01239	6.7
161.02953	4.1
161.04721	3.5
161.06618	9.5
162.03122	1.3
163.02721	3.0
167.05692	1.5
167.07060	6.4
168.07416	1.7
169.03445	1.5
170.05154	2.4
170.96107	1.4
170.99681	2.7
171.05026	2.7
173.01224	4.2
173.02945	8.6
173.04454	1.8
173.05142	1.6
173.06624	7.7
175.02678	2.9
175.04468	2.1
176.04831	1.1
176.81934	1.1
177.00739	8.4
177.04260	2.4
177.05775	3.0
179.02205	3.7
179.07417	2.0
183.04988	1.4
183.62677	1.2
185.01250	5.3
185.02953	2.5
185.04904	2.4
185.06610	12.1
187.02824	1.3
187.04485	2.0
187.08159	2.9
189.00679	3.8
189.06099	2.7
191.02281	3.1
191.03880	1.4
191.07672	1.6
192.04684	1.1
195.05072	2.5
197.03035	1.3
197.06599	4.3
199.04509	1.5
199.08194	3.2
201.00758	2.1
201.06079	1.9
202.98795	1.6
203.02261	5.6
203.03996	4.6
203.05930	1.8
203.07683	18.2
203.09502	1.5
205.03827	2.4
208.04903	3.0
209.06606	2.9
209.08250	2.1
213.06018	1.1
215.07664	20.2
217.09265	3.2
219.01802	10.7
219.05135	2.7
219.07130	2.4
221.03294	5.3
221.05080	14.1
221.06996	2.6
223.04858	2.1
227.07596	2.5
230.98158	2.4
231.07196	1.4
237.02791	10.3
237.06122	2.9
239.04352	10.6
239.07796	5.6
244.99815	1.3
245.05063	5.5
245.08844	1.9
245.57001	1.0
249.02867	1.4
257.05594	1.1
257.08743	4.7
261.08459	2.4
263.00626	1.9
263.04269	1.6
269.08655	1.3
273.08347	1.4
273.57205	1.4
274.59021	3.2
275.07742	4.5
275.09848	4.6
275.59592	1.3
279.09238	4.6
281.05475	3.5
283.59326	1.4
287.09772	3.4
293.05423	3.3
295.06845	1.4
305.02209	2.5
305.05859	9.9
305.10880	100.0
321.10022	3.6
322.10651	6.2
323.06415	5.6
323.11673	5.5
333.04825	2.1
335.06448	1.8
339.09610	1.7
351.05661	1.5
352.11502	2.5
365.08093	34.1
365.12430	4.6
383.08508	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33478	0.8
57.03436	2.8
61.02932	12.6
69.03422	4.9
70.58002	2.3
73.02906	6.8
81.03417	1.9
85.02914	15.9
91.03966	12.1
97.02367	0.8
97.02893	5.4
99.04469	1.5
101.00902	4.9
102.02391	0.8
111.02946	1.8
114.89336	1.1
115.03255	1.0
119.01967	4.3
121.04244	0.9
124.03692	0.9
127.03935	4.7
132.03477	1.1
139.02370	1.4
139.04176	1.0
141.04001	1.3
143.01912	2.6
145.03468	1.3
145.05020	4.9
147.03938	1.8
148.04720	2.1
157.03441	5.4
161.02986	1.8
162.04535	1.7
163.05272	1.7
167.12569	0.8
169.03539	1.0
175.04553	1.4
184.05830	8.1
184.55905	1.4
193.06349	31.7
193.56464	6.3
194.07146	9.5
194.57309	1.1
203.05415	6.3
205.05611	3.9
212.85344	1.0
221.05086	2.5
223.06668	9.6
224.06784	1.6
239.06119	2.7
241.07715	1.0
263.06122	3.0
264.06708	1.4
265.07751	10.4
266.08020	1.3
274.06323	1.8
274.08981	14.8
274.59198	3.0
277.07663	4.7
295.09482	0.9
365.10587	100.0
385.11942	22.5
386.12234	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	365.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33478	0.8
57.03436	2.8
61.02932	12.6
69.03422	4.9
70.58002	2.3
73.02906	6.8
81.03417	1.9
85.02914	15.9
91.03966	12.1
97.02367	0.8
97.02893	5.4
99.04469	1.5
101.00902	4.9
102.02391	0.8
111.02946	1.8
114.89336	1.1
115.03255	1.0
119.01967	4.3
121.04244	0.9
124.03692	0.9
127.03935	4.7
132.03477	1.1
139.02370	1.4
139.04176	1.0
141.04001	1.3
143.01912	2.6
145.03468	1.3
145.05020	4.9
147.03938	1.8
148.04720	2.1
157.03441	5.4
161.02986	1.8
162.04535	1.7
163.05272	1.7
167.12569	0.8
169.03539	1.0
175.04553	1.4
184.05830	8.1
184.55905	1.4
193.06349	31.7
193.56464	6.3
194.07146	9.5
194.57309	1.1
203.05415	6.3
205.05611	3.9
212.85344	1.0
221.05086	2.5
223.06668	9.6
224.06784	1.6
239.06119	2.7
241.07715	1.0
263.06122	3.0
264.06708	1.4
265.07751	10.4
266.08020	1.3
274.06323	1.8
274.08981	14.8
274.59198	3.0
277.07663	4.7
295.09482	0.9
365.10587	100.0
385.11942	22.5
386.12234	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	365.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05513	0.4
67.05488	0.7
69.89097	1.6
71.04987	1.4
74.00703	0.4
76.02236	0.7
79.05507	1.2
81.07073	2.2
83.04995	0.9
84.08131	0.3
85.02928	0.8
86.00656	0.5
88.02222	1.8
93.07056	1.1
95.04996	0.5
97.02869	0.6
97.06542	1.0
98.97581	0.4
99.08122	0.5
103.05483	0.4
105.07058	0.5
107.08614	1.9
109.06551	0.7
109.10161	1.2
110.07194	0.5
113.06007	0.6
114.03776	0.4
117.25317	0.3
121.06543	1.2
121.10123	1.4
123.11721	0.7
125.09644	1.2
128.05302	2.2
130.05101	0.8
131.04955	0.4
131.08575	0.3
139.11223	0.9
140.05305	2.8
149.09662	1.2
151.11256	1.6
163.03947	0.8
167.10718	2.4
169.12271	1.4
177.03302	0.3
182.09970	0.6
185.04211	4.0
185.11702	1.7
189.03271	0.4
201.09489	2.4
202.05997	0.9
203.03191	4.2
203.12849	1.0
208.11546	0.7
219.10646	0.5
226.12610	1.9
231.08008	1.1
243.08119	2.0
311.14331	3.6
312.12848	0.4
323.09979	0.4
329.15295	8.7
337.08490	0.4
347.16312	2.4
348.14780	0.7
365.12140	100.0
365.17245	4.6
366.12418	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
58.91368	0.4
61.37308	0.4
65.03945	1.4
71.58704	0.7
74.05405	0.4
76.64483	0.5
79.05478	0.6
81.07050	1.6
90.07558	0.4
91.05489	30.3
101.57983	0.5
102.07295	0.5
109.06508	3.6
119.04955	17.5
120.08203	0.5
120.81364	0.5
123.08038	0.6
137.05986	100.0
138.06285	0.6
139.07564	1.2
149.06111	0.5
151.07545	0.9
155.07040	4.0
161.05960	2.9
162.58499	0.6
169.08620	6.2
175.07536	0.7
182.18475	0.5
197.08138	0.7
199.07600	0.5
208.31680	0.5
211.07700	1.0
211.09691	2.6
218.16403	0.5
220.62592	0.5
229.10716	6.5
241.08704	0.7
244.08992	0.7
251.07079	0.6
262.29398	0.5
287.10721	0.5
289.08594	1.0
294.08917	1.1
295.09744	0.7
300.07901	0.5
315.10187	1.3
320.10583	0.5
332.10547	0.8
335.12878	1.4
347.12820	3.5
365.13895	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	365.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
58.91368	0.4
61.37308	0.4
65.03945	1.4
71.58704	0.7
74.05405	0.4
76.64483	0.5
79.05478	0.6
81.07050	1.6
90.07558	0.4
91.05489	30.3
101.57983	0.5
102.07295	0.5
109.06508	3.6
119.04955	17.5
120.08203	0.5
120.81364	0.5
123.08038	0.6
137.05986	100.0
138.06285	0.6
139.07564	1.2
149.06111	0.5
151.07545	0.9
155.07040	4.0
161.05960	2.9
162.58499	0.6
169.08620	6.2
175.07536	0.7
182.18475	0.5
197.08138	0.7
199.07600	0.5
208.31680	0.5
211.07700	1.0
211.09691	2.6
218.16403	0.5
220.62592	0.5
229.10716	6.5
241.08704	0.7
244.08992	0.7
251.07079	0.6
262.29398	0.5
287.10721	0.5
289.08594	1.0
294.08917	1.1
295.09744	0.7
300.07901	0.5
315.10187	1.3
320.10583	0.5
332.10547	0.8
335.12878	1.4
347.12820	3.5
365.13895	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	365.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01885	0.9
56.96555	2.1
58.99586	2.3
59.05009	4.7
59.71073	0.9
61.02923	1.3
67.05499	3.8
69.03426	4.7
69.07059	2.1
69.34720	2.0
69.35126	6.5
70.06586	1.6
71.05001	10.0
71.59739	1.1
74.00679	2.3
76.02227	4.7
76.03995	3.2
79.05486	6.3
81.05802	1.1
81.07061	15.0
83.04980	3.4
83.62662	1.0
84.04498	1.9
84.08133	4.2
85.01150	1.1
85.02917	6.3
85.04053	1.2
85.06563	1.4
85.16025	1.1
86.00650	3.4
87.04481	3.1
88.02212	13.5
93.07038	5.2
94.06571	1.8
95.04977	1.4
95.08587	3.2
97.01127	1.9
97.02881	1.8
97.06537	3.0
98.97607	1.8
99.02687	1.5
99.08096	6.1
100.02171	1.5
102.03757	3.8
105.07023	3.2
107.07333	1.5
107.08607	8.6
109.02880	1.0
109.06525	6.4
109.10154	7.8
111.02689	2.4
113.04234	4.5
113.06016	2.9
114.03754	5.8
116.01674	4.6
121.06525	2.8
121.10159	4.4
122.06810	1.1
123.02674	1.8
123.08105	1.2
123.11727	7.8
125.09618	4.7
126.03770	1.2
127.03934	1.5
127.07534	1.6
127.11203	1.1
128.05310	33.7
130.04994	2.4
131.04483	1.3
131.07039	1.3
131.08563	1.6
133.10143	3.4
137.09627	1.5
139.05740	1.1
139.11195	2.8
140.04208	1.9
140.05301	40.5
141.03690	3.6
143.02702	1.8
143.10628	1.2
144.10249	1.6
145.04979	1.6
145.06096	3.3
149.09628	3.0
151.11197	14.9
155.10690	1.6
162.02211	2.8
167.10715	6.9
169.12210	7.9
177.03305	2.5
179.04837	2.6
182.10004	6.1
183.08429	2.6
185.07451	1.4
185.11729	4.1
189.03308	2.2
190.50140	1.0
191.04970	2.0
195.30484	1.2
201.09480	9.1
208.11583	3.4
226.12579	13.7
231.07988	13.6
237.02829	1.5
243.08018	29.2
291.19824	1.0
311.14249	36.1
312.12274	4.9
314.24777	1.1
329.15317	100.0
330.13263	4.7
330.79813	1.0
347.16354	12.2
348.14828	3.2
365.12408	2.4
365.17358	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80235	1.2
55.01870	3.7
55.05510	4.1
55.89701	1.4
56.96566	2.8
57.03434	1.8
58.99591	3.6
59.04999	1.6
60.06550	1.4
61.01163	2.4
61.02943	1.8
62.63429	1.4
67.05503	4.2
69.03431	5.5
69.07072	4.5
70.02964	2.0
70.06609	2.0
70.83435	1.6
70.83761	2.5
71.05009	12.0
72.66049	1.3
74.00675	5.4
76.02233	7.1
76.04011	4.7
79.05505	8.5
81.07066	22.1
83.04981	4.8
84.04507	1.7
85.01122	1.8
85.02904	2.5
85.04036	1.5
85.06544	3.4
86.00661	6.2
86.99032	1.7
87.02739	1.3
88.02228	25.3
91.05505	3.4
92.01698	1.4
93.07047	7.0
94.06580	2.2
95.04967	3.7
95.08622	4.1
96.08145	2.0
97.01131	2.8
97.06548	5.8
98.97586	3.3
99.02709	2.7
99.05574	1.5
99.08125	6.3
100.02193	2.8
100.99011	1.3
102.03773	4.7
103.02184	2.3
105.07040	5.1
107.07386	1.9
107.08595	10.7
109.06544	4.9
109.10162	13.4
111.02661	6.4
112.04021	2.5
113.04270	4.9
113.05994	1.5
114.03782	4.8
114.05566	2.5
115.02155	3.6
116.01694	6.1
120.04797	2.2
120.08163	1.5
121.06523	4.8
121.10155	6.7
123.08073	2.9
123.11731	10.5
125.09654	4.6
126.03776	3.6
128.05312	33.8
129.03697	2.7
130.05008	7.0
133.10138	6.2
135.04428	1.8
137.09589	2.3
139.11172	3.5
139.13800	1.6
140.05298	37.3
141.03708	3.5
143.02762	3.3
143.10695	3.9
144.01199	2.1
145.06105	3.3
147.04419	2.9
148.19676	1.4
149.09647	3.2
151.11198	27.2
152.05325	1.7
162.02226	6.3
162.42801	1.5
163.03897	5.7
166.35764	1.4
167.10774	2.0
168.18558	1.3
169.12282	16.7
173.10002	1.7
174.02354	1.6
177.03326	4.0
179.04892	3.8
180.08426	1.8
182.10037	6.2
183.08429	3.4
185.04219	4.3
185.11703	2.0
189.03299	5.5
191.04836	4.1
191.08571	1.6
201.07600	2.6
201.09470	48.0
203.03224	4.0
203.12825	1.4
208.11549	5.9
219.10535	5.7
221.06630	2.1
226.12608	19.5
231.07944	11.2
232.32034	1.5
235.07526	6.1
243.08046	29.1
255.07991	2.3
257.09576	1.8
311.14233	45.2
312.12662	5.6
323.09793	3.8
329.15317	100.0
330.13736	6.3
347.12369	1.7
347.16385	31.0
348.14767	10.6
365.08524	4.2
365.12109	84.7
365.17429	58.4
366.11954	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.05510	8.2
56.96570	5.2
57.03437	5.8
58.99587	4.2
59.05010	14.2
61.02919	9.4
64.27390	2.8
67.05506	8.8
69.03436	24.3
69.07061	7.9
70.36041	3.2
70.36394	9.7
71.05003	20.2
74.00633	4.8
76.02249	4.6
76.04005	2.7
78.02589	2.9
79.05493	14.3
81.03426	6.6
81.07068	31.6
83.04965	19.9
84.04487	3.5
84.08132	8.2
85.02912	46.9
85.06547	3.7
86.00665	3.8
87.04465	12.6
88.02203	12.6
91.05486	8.1
93.07061	14.9
95.04965	11.9
95.08626	6.6
97.02902	15.1
97.06531	10.0
98.97586	13.7
99.04427	4.5
99.08091	4.0
100.02181	3.2
105.07022	7.0
107.08592	35.8
107.53575	2.7
109.02858	7.8
109.06538	18.8
109.10161	17.8
110.07155	4.3
110.97618	4.4
111.02697	2.9
111.04472	2.7
111.08127	5.0
113.04219	5.3
113.05991	11.8
114.03728	6.6
116.01684	6.9
121.06507	16.2
121.10139	12.4
122.06871	3.6
123.08060	6.5
123.11723	8.7
125.06041	4.1
125.09642	38.3
127.03931	11.5
127.07542	4.2
128.05316	31.4
130.05008	5.0
131.07065	5.9
131.08578	4.0
133.10155	5.9
136.08833	4.7
137.09633	13.7
139.11165	18.1
140.05293	28.6
143.00168	2.7
144.10260	7.1
145.05005	10.5
147.04411	4.8
149.09569	13.8
151.11205	17.6
155.10669	7.0
162.02164	3.6
163.03860	3.4
165.05444	3.8
167.10684	70.9
168.11014	3.8
169.12294	9.6
182.09991	7.4
185.11751	27.3
189.03366	3.4
201.09454	17.3
202.06799	6.1
203.12761	14.1
208.11539	5.3
219.01743	4.9
219.10484	6.4
226.12602	15.6
231.07945	14.4
237.02878	4.1
239.02379	3.2
243.08025	23.8
311.14267	39.1
323.09702	5.6
329.11334	4.8
329.15308	100.0
347.16226	14.6
365.11899	20.8
365.17410	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	365.2303
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03938	0.6
55.05500	1.1
56.96555	0.8
57.03427	1.0
67.05499	1.2
69.03408	0.8
69.07058	1.4
70.70067	1.2
73.02920	0.5
78.59795	0.4
79.05481	1.6
81.03420	0.6
81.07056	4.1
83.04980	0.7
84.95975	0.4
85.02912	1.2
86.62538	0.4
91.05473	2.9
93.07038	2.8
95.04957	0.7
95.08611	2.2
97.02888	1.8
98.97581	1.4
103.05448	0.5
105.07034	4.2
107.08592	2.1
109.06460	0.5
109.10165	1.8
110.97553	0.6
116.98640	0.8
117.03368	0.6
117.07010	0.8
119.08597	3.3
121.06524	5.2
121.10121	1.6
122.06839	2.9
123.07135	1.5
123.11782	0.5
128.06200	0.4
128.98605	0.8
131.08548	1.6
133.10139	1.9
135.11734	0.5
137.05937	0.7
143.08559	0.9
145.02753	0.9
145.10094	1.9
147.11723	2.0
149.13245	0.9
149.42215	0.4
155.08575	0.5
157.10139	1.1
158.99655	0.5
159.11700	1.7
161.06126	0.4
161.13240	3.7
163.11137	0.5
163.14827	0.9
169.10110	0.7
170.99693	0.7
171.11703	0.5
173.13268	0.8
175.14857	1.1
177.05460	2.6
180.06560	0.8
183.11690	0.5
187.14839	0.7
189.16396	0.7
197.13330	0.7
199.14886	0.7
201.16412	1.0
203.04048	0.5
203.17986	3.4
213.16391	0.5
215.17812	0.4
219.01711	0.7
227.17967	0.6
237.02855	1.4
245.05136	0.5
267.14395	0.5
300.88052	0.4
347.14990	0.5
347.22086	1.2
347.89197	0.4
351.05521	0.4
365.23004	100.0
366.23358	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13482	1.2
52.22417	1.0
53.03944	2.9
55.01871	6.6
55.05516	31.3
56.96555	1.2
57.03446	10.8
59.05003	1.0
61.48018	1.2
65.32336	1.1
67.05510	34.8
69.03433	14.9
69.07074	39.3
69.57751	1.2
70.01846	4.1
70.87070	1.0
71.04991	2.0
79.05496	27.0
79.65517	1.0
81.03407	5.2
81.07065	24.8
83.04976	3.9
83.08628	9.9
85.06536	2.2
85.52787	1.2
91.05493	16.1
93.07053	21.2
94.04194	1.2
95.04977	9.1
95.08610	13.2
97.02903	16.3
97.06526	2.9
97.10181	18.4
99.08086	1.5
105.07028	13.4
107.04967	7.4
107.08607	18.4
109.02838	1.5
109.06510	4.3
109.10178	11.7
111.08086	2.5
115.05484	1.0
117.07025	6.3
117.34398	1.2
119.08594	12.8
121.06539	3.2
121.10150	5.3
123.04494	1.6
123.08054	4.6
123.11713	1.1
125.09632	15.1
128.06253	1.5
129.07019	2.4
131.08568	7.9
133.06500	2.7
133.10135	7.7
135.08055	4.9
135.11702	4.5
137.05981	1.7
137.09627	4.1
143.08591	3.7
145.10146	6.8
147.08076	5.0
147.11670	3.2
149.09644	1.8
149.13266	2.8
157.10100	3.4
159.11700	3.3
161.09618	3.2
163.11211	2.5
165.09116	3.4
169.10196	1.2
171.11642	1.5
173.11758	1.8
175.11172	2.2
175.14830	1.3
177.12781	1.7
181.12170	1.4
185.13264	1.5
189.11247	8.4
193.12267	1.1
195.13837	2.7
205.12288	3.2
217.19608	1.2
223.13313	35.1
227.12836	2.0
245.19112	1.5
255.17274	1.3
273.18491	14.4
291.19559	100.0
332.03348	1.1
345.81882	1.1
347.21909	1.2
365.11026	2.2
365.23236	51.9
365.27887	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
53.03942	3.8
55.01873	11.0
55.05264	2.4
55.05515	36.2
57.03442	15.3
57.07053	2.0
59.05008	2.5
60.24704	1.5
65.03931	2.8
67.05508	54.5
69.03437	17.7
69.07072	41.6
71.04990	4.6
79.05495	43.8
81.03419	6.6
81.07062	50.5
83.04983	11.4
83.08627	12.0
85.02907	1.5
85.06536	5.6
91.05489	39.8
93.06468	2.4
93.07048	38.4
95.04967	12.2
95.08052	1.8
95.08614	23.0
97.02889	16.1
97.06504	7.9
97.10176	17.0
98.20731	3.3
99.04451	1.2
103.05472	3.0
105.07038	32.8
107.04971	14.9
107.08595	28.9
109.06551	7.8
109.10162	24.3
111.04456	1.6
111.08075	5.5
115.05441	1.7
117.07012	14.6
119.08580	15.7
121.06525	9.8
121.10149	11.4
122.06824	1.8
123.04403	1.5
123.08077	9.0
123.11710	5.1
125.06051	1.4
125.09642	13.8
128.06273	1.5
129.07008	5.8
130.07733	1.4
131.08589	16.6
133.06500	6.0
133.09126	1.5
133.10141	29.1
135.08052	12.0
135.11671	7.0
137.09644	6.6
139.07579	1.3
143.08540	6.2
145.10114	10.6
147.08058	8.8
147.11687	3.9
149.09560	7.7
149.13249	1.7
151.11194	12.1
153.09149	1.7
155.08484	1.7
157.10129	4.4
159.08092	3.4
159.11737	5.9
161.09639	8.5
161.13246	3.5
163.11217	3.5
165.09134	2.7
169.10095	1.5
169.12283	2.1
171.11693	4.0
173.11771	1.6
173.13298	2.7
175.11206	2.3
177.09077	2.7
177.12817	2.0
179.10611	1.9
181.10252	1.3
184.07442	1.6
185.13263	3.0
187.11223	1.4
189.11241	8.3
189.12799	2.6
193.12228	2.1
195.13721	2.6
199.11252	1.6
205.12154	2.5
213.16327	1.3
215.12756	1.9
219.13783	5.6
221.11691	1.4
223.13304	25.3
223.15382	1.4
227.12785	3.5
227.17741	1.6
245.19029	3.7
251.12920	1.7
252.90681	1.3
253.14374	9.5
255.17488	3.2
263.20129	3.9
269.13794	1.8
273.18506	25.3
275.20059	2.0
285.55875	1.3
291.19556	100.0
292.19839	1.7
327.61334	1.6
347.22211	4.9
365.23242	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.269
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
53.03940	0.8
55.01878	0.6
55.05526	3.0
56.96545	0.8
57.07079	3.1
67.05505	3.8
69.07079	3.5
69.27552	5.2
71.04985	0.9
71.08638	1.3
79.05491	2.6
80.29875	0.5
81.07066	4.2
83.04973	0.6
83.08628	1.3
85.06548	1.7
86.09712	1.1
91.05492	1.7
93.07051	4.0
95.04947	0.6
95.08620	3.4
97.06543	1.8
99.08009	0.5
104.10757	1.1
105.07067	1.4
107.04932	0.7
107.08603	3.7
109.06549	2.9
109.10181	1.6
111.04458	1.9
111.08097	0.6
113.50156	0.6
119.08593	2.1
121.06544	0.9
121.10156	1.3
122.06846	0.6
123.08082	4.6
124.08842	0.9
125.06029	1.3
129.52472	0.7
133.10112	1.5
135.08037	2.8
135.11688	1.7
137.05991	1.2
137.09679	0.6
138.53021	1.3
139.07512	0.7
145.10150	1.7
147.08099	0.7
149.09677	0.7
149.13237	0.7
151.07579	2.9
152.08339	2.6
157.53806	0.6
159.11592	0.6
161.13246	0.6
165.09131	11.2
165.12848	1.2
166.23088	0.6
167.14380	0.6
171.11664	0.7
177.09204	0.6
179.10701	1.1
179.14281	0.6
181.12338	0.7
184.07381	0.9
193.12296	1.0
208.14644	2.1
209.15179	0.5
221.15450	1.6
228.97655	0.6
249.18587	1.2
263.20053	0.8
267.64728	0.7
273.18555	1.0
277.21799	0.6
278.58109	0.6
305.24780	9.2
319.26315	4.8
337.27164	0.6
340.96600	0.5
347.25842	44.4
348.26205	1.3
365.26910	100.0
366.27228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.269
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05513	1.0
57.07080	2.2
60.04515	0.2
67.05501	1.1
69.07054	0.9
78.58723	0.2
79.05505	0.8
81.07070	1.8
83.08606	0.5
85.06563	1.0
91.05472	0.7
93.07037	1.1
95.04980	0.3
95.08608	1.5
97.06525	0.4
98.20727	0.5
105.07019	0.9
106.05009	0.3
107.08588	1.4
109.06512	1.2
109.10162	0.6
111.08055	0.3
119.08582	0.8
121.10155	0.7
123.08074	2.7
123.11678	0.4
124.08860	1.7
131.00197	0.2
131.08505	0.2
133.10124	0.6
135.08058	0.8
135.11707	0.3
137.05952	1.1
137.09552	0.4
138.06807	0.5
139.07486	0.3
145.10159	0.4
147.11670	0.3
149.09595	0.3
149.13237	0.3
151.07565	3.0
151.11188	0.3
152.08333	5.5
157.10156	0.3
159.11699	0.4
161.09630	0.4
161.13283	0.2
163.11174	0.2
165.09128	8.2
165.12776	0.2
166.09915	0.5
169.84550	0.2
173.13341	0.2
175.11174	0.3
177.09088	0.5
177.12807	0.3
179.10684	2.1
179.14255	0.3
181.12129	0.2
193.37157	0.2
194.13025	3.8
207.13841	1.5
221.15456	0.3
235.16884	0.6
249.18488	0.8
263.20108	1.6
265.58743	0.2
277.21683	0.5
319.26303	1.1
333.20053	0.4
333.70126	0.2
337.27280	0.3
347.25833	16.7
348.26151	0.3
365.26901	100.0
366.27292	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79509	0.9
65.52347	0.9
69.43948	7.2
73.44611	0.9
98.97600	1.3
101.00908	1.1
119.01912	2.8
149.61130	0.9
150.18269	1.0
152.36093	0.9
155.74876	1.0
158.99886	1.1
170.94630	1.0
177.00996	6.9
198.97946	2.1
201.00958	1.8
216.98981	5.2
219.01996	11.3
221.01833	1.3
222.02242	0.9
222.98048	1.6
235.00026	8.3
240.98938	12.6
243.02034	2.5
253.00986	1.1
259.00018	29.2
260.00140	1.7
261.03110	30.1
263.02771	1.1
264.99005	3.7
273.98761	1.2
277.01074	19.0
278.01071	1.5
283.00012	77.2
284.00214	4.7
301.01068	100.0
302.01172	4.6
303.01178	1.6
319.02267	4.4
324.02621	1.6
325.01047	13.8
332.12189	0.9
343.02130	68.0
344.02277	3.2
361.03226	13.7
385.03159	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33047	0.6
65.11055	0.5
69.39848	4.8
74.99902	0.6
76.91273	0.6
79.05500	1.2
79.53203	0.6
87.04472	52.0
106.06552	1.0
107.07347	0.7
131.43956	0.6
132.04440	1.5
134.06003	3.2
144.04465	2.4
150.05516	1.5
160.03960	11.9
162.05513	10.9
166.08723	1.0
176.07089	2.8
178.04959	8.3
186.23444	0.8
188.03441	2.3
192.04947	1.3
192.06580	15.8
194.08134	40.5
195.08527	0.6
206.04497	1.7
220.06055	6.7
235.57355	0.7
236.09256	3.4
238.07080	4.9
262.10883	0.6
264.08691	2.2
278.10278	9.3
280.08188	5.2
280.11819	9.0
283.06226	0.7
306.09650	5.5
322.12805	6.4
324.10794	10.1
366.11853	100.0
367.12180	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01871	8.9
55.05511	18.0
56.05054	3.1
56.96558	4.5
57.03432	5.1
59.04988	3.9
61.02929	4.8
67.05506	30.5
69.03433	15.5
69.07065	9.1
70.06599	16.0
71.05004	22.1
71.58720	4.9
72.08150	39.2
79.05492	16.6
81.03424	5.2
81.07063	100.0
83.04990	31.8
84.04512	3.9
84.08144	7.7
85.02917	35.1
85.06532	5.9
86.09718	36.6
91.05495	19.8
93.07061	70.6
95.04977	39.1
95.08582	13.2
97.02885	9.2
97.06525	8.0
98.97585	8.4
99.38303	3.3
103.05480	3.6
105.07039	29.5
107.08601	45.0
109.02922	6.2
109.06519	11.8
109.10172	21.3
111.04438	3.6
114.10313	4.2
120.08123	19.7
121.06510	3.8
121.10158	14.2
123.04493	3.7
123.08076	10.3
123.11725	41.4
127.03951	7.0
129.10263	3.6
131.04901	3.3
133.10138	46.0
135.04425	4.8
135.11745	5.1
137.06004	10.9
142.12276	9.1
145.02879	4.6
145.04970	9.3
147.04327	4.2
151.03909	7.6
151.11212	31.4
157.13368	11.2
158.99594	3.3
163.03899	4.4
165.05498	3.3
165.09250	4.8
167.07034	3.3
169.12247	6.0
170.35736	4.3
177.05495	6.5
182.08183	4.2
182.14311	3.5
185.12962	4.1
187.13278	4.2
219.01888	5.0
281.14972	3.5
366.12152	6.7
366.19440	6.6
367.13812	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54490	1.4
55.05499	3.7
57.03437	1.8
67.05507	15.4
69.03423	1.8
69.07055	1.5
69.98125	1.3
69.98742	4.8
71.04998	2.0
79.05482	3.7
79.28624	1.1
81.07066	11.8
83.04969	3.2
85.02894	4.6
91.05486	12.2
93.07054	7.7
98.21164	3.0
105.07037	20.2
107.08602	21.4
107.32160	1.2
108.94188	1.3
109.10159	38.2
111.14234	1.2
123.11708	4.7
129.55190	1.2
133.10138	83.7
137.31024	1.3
143.04073	1.3
151.11191	100.0
169.12254	56.7
169.13412	0.9
187.13313	48.0
308.85880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83883	0.7
55.05507	1.8
57.03416	0.8
67.05510	11.2
69.03423	1.2
69.07056	2.8
70.52567	0.8
71.04997	21.6
71.34968	0.9
71.35327	0.8
79.05476	1.6
81.07062	12.0
83.04980	1.5
85.02893	3.9
85.06547	29.5
91.05486	10.9
93.07043	5.1
95.08595	1.4
97.02932	1.2
97.06604	0.8
105.07030	11.5
107.08601	14.6
109.06492	1.4
109.10166	21.7
109.10916	1.2
123.11732	3.9
127.07467	1.0
133.10141	42.5
143.06465	0.7
151.11189	40.1
169.12247	33.0
187.13301	100.0
188.13647	0.9
297.79736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01868	1.9
55.05505	1.9
61.02903	2.3
69.03436	6.2
69.35862	5.7
69.36285	5.5
71.04990	5.5
79.05503	13.4
81.03403	1.7
81.07060	100.0
82.07366	1.3
83.04980	4.2
83.08646	2.0
85.02494	1.5
85.02917	15.1
91.05473	3.6
93.07058	12.8
95.04980	1.4
97.02892	4.1
98.21416	3.5
99.04408	1.7
99.08040	3.1
101.06022	2.2
104.22236	1.2
105.07020	5.2
107.08621	3.1
109.10185	2.2
118.06523	2.6
121.10130	1.5
123.11730	4.1
127.03920	4.6
128.05307	1.6
130.06526	6.2
133.10132	6.2
135.11610	1.6
138.05522	1.3
144.08072	5.6
145.04945	3.8
148.08749	1.2
151.11191	4.8
163.06029	2.0
169.12291	4.1
172.07593	5.0
187.13292	3.2
190.08667	3.7
203.07568	2.9
243.12364	6.8
330.15683	4.9
345.54361	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.05514	4.5
57.02295	2.1
60.85717	1.8
61.02931	2.4
67.05511	10.7
69.03423	6.0
69.07067	5.0
70.98704	3.4
71.05001	19.5
74.71086	1.8
79.05504	19.0
79.26630	1.8
81.07066	100.0
83.05011	9.7
83.08635	2.0
84.04488	2.4
85.02913	19.5
91.05483	16.0
93.07048	19.3
93.74946	1.6
95.04982	3.1
95.08608	3.6
97.02911	3.3
97.06507	2.7
99.08083	4.8
105.07027	13.2
107.08623	16.0
109.06548	2.2
109.10164	30.3
111.08101	2.0
123.11726	8.9
127.03934	5.0
130.05006	7.3
131.08508	2.0
133.10146	66.7
138.05510	2.0
145.04971	6.5
151.11200	65.5
164.07074	2.1
167.92735	1.8
169.12268	46.5
177.21649	2.0
187.13310	29.3
204.08739	2.4
222.68829	1.6
235.13899	1.8
243.12352	7.8
366.12265	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	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.0
58.99104	0.9
69.07069	1.3
69.14125	0.9
69.32649	9.5
71.04996	12.5
73.06559	3.2
79.05492	3.5
81.07063	17.4
85.02907	2.9
88.94643	1.2
91.05495	1.6
93.07054	8.8
94.35633	1.1
95.08626	1.3
96.69205	1.0
97.02898	3.9
97.06509	1.0
107.08591	8.6
109.10175	2.9
115.03952	1.0
121.06547	1.1
133.10172	1.7
135.11714	18.0
136.06212	2.5
138.05453	1.1
138.57152	0.9
144.04472	1.5
145.10204	1.0
151.11200	1.6
153.12764	100.0
154.13124	1.3
161.04431	1.2
169.12318	1.3
176.06905	1.2
187.13365	1.1
366.11877	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.9602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55828	1.4
70.55493	3.0
70.55842	1.5
85.02898	1.4
94.93002	3.0
99.70009	1.3
101.00899	2.6
112.89617	12.2
114.89342	3.4
116.89127	1.7
119.01940	2.5
119.63409	1.2
136.94054	2.4
143.01952	1.4
157.03549	2.1
161.02930	1.5
185.04192	1.5
221.82501	1.4
223.06729	4.0
225.06340	1.6
267.07571	1.7
268.98273	100.0
271.44806	1.3
273.47128	1.3
275.09415	1.4
306.93729	2.1
339.69949	1.3
366.10974	4.5
366.96130	1.7
367.12085	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	367.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.9
56.96575	2.7
57.03438	2.1
67.05501	7.0
69.03426	4.3
69.07070	5.6
69.97614	9.8
70.06609	2.0
71.04993	5.3
72.08160	3.5
79.05497	4.6
80.26656	1.8
81.03382	2.4
81.07045	10.0
81.44176	2.3
83.04995	3.7
84.04504	8.4
85.02911	18.4
85.06596	2.0
87.04491	3.6
91.05486	8.9
93.07036	5.4
97.02892	10.4
97.06531	3.6
98.97585	2.8
102.05550	8.7
105.07027	6.4
107.08595	14.1
109.10170	22.7
112.11269	2.6
117.03405	4.1
119.41008	2.0
121.06520	10.0
127.03916	3.2
130.05009	78.9
133.10143	32.5
135.04416	11.4
136.06175	2.2
145.02869	4.4
151.11189	42.1
152.11488	3.0
163.03912	56.8
164.07091	22.2
169.12285	22.2
170.12598	9.6
173.07948	2.3
187.13312	18.1
191.08894	2.4
205.14481	3.4
293.11319	29.3
367.13718	100.0
367.17401	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03635	1.9
53.03953	2.4
55.05505	3.2
56.96153	1.9
57.03430	2.2
57.07071	2.4
59.05006	2.6
61.02918	3.5
67.05513	4.9
69.03428	7.8
69.07063	10.4
71.05000	23.9
71.33437	3.3
71.33788	2.4
79.05500	12.9
79.71067	2.0
81.07063	92.1
83.04990	8.1
85.02910	22.5
90.81639	2.1
91.05489	2.3
93.07032	5.0
95.08596	2.0
97.02892	7.9
97.06524	5.1
99.04449	3.6
99.08131	4.1
101.06011	3.1
107.08607	17.3
109.06533	3.4
109.10152	21.9
111.11732	8.8
121.10143	4.4
123.11719	26.5
125.09612	2.4
127.03920	4.0
133.10155	6.7
139.11220	17.2
145.04967	3.9
151.11185	36.7
157.12274	21.3
163.03940	2.8
169.12262	60.1
187.13312	100.0
199.06400	2.7
203.57712	3.1
205.14362	49.6
257.40308	2.2
259.38983	1.9
261.09976	3.2
286.17865	2.1
331.15112	2.6
347.65494	2.1
356.66238	2.4
365.72501	2.4
367.17517	2.7
392.23346	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54675	1.6
57.03437	2.0
61.02921	2.0
67.05501	3.9
69.03435	5.3
69.07074	5.7
70.94838	2.8
70.95183	3.4
71.04992	19.2
77.10867	1.9
78.59925	1.6
79.05486	7.6
81.03410	3.2
81.07063	66.4
83.04974	2.8
85.02908	15.9
95.04961	1.8
97.02901	5.3
97.06538	2.4
98.21082	2.4
99.08109	3.0
107.08602	8.4
109.06490	2.1
109.10162	12.4
111.11736	7.9
118.96092	1.8
121.10175	2.2
123.11715	20.0
139.11174	8.8
147.04419	2.9
151.11208	25.6
157.12299	9.9
169.12262	34.7
187.13310	100.0
205.14616	1.6
367.12836	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01881	6.0
55.05266	1.6
55.05514	22.6
56.96554	2.5
57.03442	7.4
57.07086	1.7
59.40947	0.9
61.50416	0.9
67.05511	20.8
69.03429	2.3
69.06720	1.3
69.07079	20.3
69.25201	10.1
71.04996	1.9
71.08639	25.0
79.05498	17.0
81.03417	3.4
81.07059	18.2
83.04977	6.2
83.08635	7.6
85.02906	1.2
85.06534	1.3
91.05492	7.8
93.07056	12.9
95.04971	5.2
95.08614	10.4
97.02960	1.0
97.06544	2.7
97.10173	8.6
98.20798	2.8
98.21459	1.6
99.08105	21.3
105.07045	6.7
107.04958	3.1
107.08617	10.3
109.06580	1.7
109.10167	7.4
111.08085	2.4
117.06998	2.2
119.08591	4.5
121.06520	5.0
121.10160	4.6
123.08084	2.3
123.11725	2.5
125.09634	6.5
131.08572	4.0
133.10133	3.4
135.08081	3.0
135.11702	3.5
139.11209	1.3
143.08530	1.4
145.10124	2.8
147.11726	2.0
149.09619	2.0
149.13245	2.1
151.11182	2.3
153.09059	1.2
157.10156	1.2
159.11717	1.9
165.12891	1.3
167.10672	2.8
169.10222	1.2
171.10214	1.4
177.12790	2.9
179.10663	1.2
189.11237	5.7
204.76416	1.0
215.72498	1.1
217.14360	1.0
219.17442	2.2
237.14841	1.1
247.20593	2.4
263.20142	1.0
265.21240	1.4
275.20123	9.8
293.21130	100.0
294.21396	1.6
367.15503	1.5
367.24841	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	367.2482
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03935	2.1
53.55088	1.7
55.01875	4.2
55.05502	9.3
55.95083	2.0
56.96563	4.4
57.03432	3.0
57.07074	2.4
62.20632	1.5
66.06349	1.7
67.05510	16.9
69.07068	16.4
70.41734	4.1
70.42085	2.3
79.05496	16.4
79.56155	1.5
81.07063	26.0
83.04967	6.0
83.08625	4.4
91.05470	17.5
93.07050	23.5
95.04965	6.7
95.08602	19.5
97.06532	3.2
97.10158	2.8
98.97559	1.8
105.07034	24.3
106.92651	1.9
107.04936	7.4
107.08593	16.7
109.06499	7.8
109.10165	9.0
110.81587	2.3
111.08087	2.4
117.07021	7.7
119.08579	19.8
121.06494	11.1
121.10114	13.3
123.08034	5.5
123.11722	3.2
129.06996	3.0
131.08588	19.3
133.06511	2.4
133.10144	18.4
135.08040	5.3
135.11679	5.6
137.09598	1.9
139.03821	1.7
143.08549	2.6
145.10141	12.0
147.08063	2.3
147.11688	12.4
149.09576	7.4
149.13255	3.8
151.11205	4.8
157.10098	3.3
159.08072	1.9
159.11700	10.7
161.09607	4.4
161.13281	4.1
163.11206	6.8
167.88425	2.2
171.11659	3.5
173.13211	4.4
175.11163	2.4
185.13206	2.5
187.11153	2.8
187.14726	3.5
189.12706	2.1
189.16393	2.1
191.14302	2.4
201.12737	3.1
207.13806	4.1
211.14755	2.0
219.13795	2.9
237.02814	2.0
239.17918	2.3
245.03868	1.9
247.20595	4.0
250.37936	1.9
257.19046	13.6
271.24179	2.5
275.20068	100.0
293.21085	7.1
349.23746	46.0
349.28064	2.3
367.24860	15.5
367.29550	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24572	1.4
53.03938	3.6
55.01623	2.7
55.01876	48.7
55.05260	2.6
55.05514	36.3
55.53199	1.5
56.96562	2.5
57.03435	6.1
57.07071	2.6
59.04989	2.8
61.02933	1.9
65.03946	1.8
67.05510	52.4
67.05876	2.6
69.03444	2.4
69.07076	21.2
71.04996	6.1
71.26164	2.3
71.26502	1.7
79.05499	71.5
81.03426	4.2
81.07061	42.4
83.04536	2.7
83.04985	22.1
83.08622	10.6
85.02917	2.6
85.06558	3.7
91.05487	40.1
93.07050	51.3
95.04974	13.6
95.08613	23.9
97.06535	87.5
97.10163	15.4
99.08104	2.3
103.05444	1.6
105.04517	1.6
105.06379	3.1
105.07038	38.3
107.04277	2.8
107.04970	31.6
107.07866	2.9
107.08598	54.4
109.06538	3.5
109.10159	23.6
111.08070	5.1
117.07010	14.1
119.08591	26.1
121.06517	5.3
121.10145	16.2
123.08141	2.1
123.11713	6.4
125.09634	17.1
128.06213	2.1
129.07019	2.6
131.08566	17.8
133.10132	25.8
135.08087	7.7
135.11653	7.1
137.09621	4.2
139.07561	3.1
141.07027	2.1
143.08536	2.2
145.10121	15.6
147.11674	16.1
149.09631	51.9
149.13251	3.1
151.11189	3.5
153.09108	3.4
155.08650	1.5
157.10150	4.6
159.11746	7.3
161.09624	1.7
161.13289	5.7
163.11227	9.5
163.14832	4.8
169.12259	3.9
171.10268	2.0
171.11734	3.6
173.11853	2.6
173.13303	7.8
177.12759	2.4
177.36478	1.5
179.14297	6.6
183.11713	3.1
187.11320	2.7
187.13290	3.4
187.14838	2.1
189.11263	13.1
191.14445	3.0
209.15439	7.8
215.17953	2.6
227.12784	7.1
229.19525	7.0
239.17986	2.4
245.13893	2.5
247.20645	5.0
257.19043	17.8
275.20068	100.0
293.21069	2.5
337.10159	2.7
349.23764	70.3
367.23065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06462	1.8
52.98092	1.7
53.03934	7.1
54.21769	1.6
55.01875	16.1
55.05264	2.2
55.05516	32.9
56.96557	2.7
57.03225	1.7
57.03442	18.1
57.07054	2.7
63.65240	1.8
65.03930	3.1
65.10596	1.8
67.05507	66.3
69.03429	7.6
69.07076	33.6
70.88319	3.6
71.04980	5.2
79.05494	59.6
81.03391	4.1
81.07063	100.0
83.04984	11.5
83.08621	17.1
85.06545	3.8
91.05484	48.8
93.07053	45.8
95.04967	13.7
95.08609	47.0
95.09227	2.1
97.02886	2.7
97.06533	19.0
97.10188	11.5
98.97573	3.2
99.08081	2.6
105.07037	51.8
107.04971	12.9
107.08599	39.3
109.06532	14.4
109.09474	1.9
109.10165	25.2
110.97516	2.3
111.08102	5.6
116.98604	1.9
117.07014	14.3
119.08578	37.0
121.06483	11.6
121.10162	21.8
123.08089	8.9
123.11674	9.4
125.09653	8.6
129.05457	2.1
129.07008	5.5
131.08578	22.0
133.09224	3.2
133.10133	31.7
135.08057	8.3
135.11678	11.0
137.09601	8.1
137.13260	3.1
139.11165	2.8
143.00203	2.0
143.08574	4.4
145.06453	2.4
145.09044	2.7
145.10126	26.1
147.08029	2.7
147.11713	22.9
149.09634	21.2
149.13255	7.3
151.11188	6.9
157.10153	6.6
159.11723	15.8
161.09570	2.3
161.13196	4.5
163.03850	5.2
163.11255	10.1
163.14812	2.4
165.12775	5.7
169.10107	4.3
171.10147	7.0
171.11540	3.3
173.11885	2.1
173.13229	8.6
175.11263	4.5
177.12787	4.2
179.14308	1.8
183.11700	3.3
185.13202	2.3
187.14767	2.0
189.11230	8.1
191.10590	2.1
191.14314	2.5
193.12273	2.7
197.13190	2.1
213.16295	2.1
215.17801	2.1
227.12762	3.7
229.19498	4.4
235.17125	2.2
239.17850	5.9
245.13901	3.3
247.20618	6.6
253.17989	2.7
257.19089	9.5
265.21399	1.9
269.17477	2.8
275.20068	84.4
293.21066	8.1
320.98297	2.0
349.23792	35.4
367.24927	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01876	13.1
55.05515	27.7
56.96559	3.2
57.03436	17.2
57.07087	3.2
58.03228	1.4
65.03947	3.4
67.05507	58.5
69.03431	6.5
69.07073	26.1
70.21172	3.6
70.21563	3.4
71.04992	5.3
75.04509	1.5
79.05060	3.3
79.05498	48.2
81.03422	5.3
81.07062	100.0
83.04996	10.5
83.08630	14.1
85.06537	4.0
91.05489	47.9
91.49172	1.4
93.07050	43.7
93.46095	1.6
95.04974	11.0
95.08611	38.3
95.09166	2.9
97.06533	17.0
97.10159	4.9
98.20914	2.6
98.21453	1.8
99.08048	1.9
105.07040	45.0
107.04987	9.7
107.08599	33.1
109.06503	12.6
109.10159	25.6
111.08096	4.6
117.07026	14.5
119.08583	37.3
121.06509	12.4
121.10152	20.3
123.08084	7.3
123.11720	9.9
125.09631	4.7
129.07016	5.0
131.08585	16.7
133.06496	2.1
133.10139	24.3
135.08105	8.8
135.11723	11.2
137.09639	7.0
143.08568	2.9
145.10117	17.7
147.08121	2.3
147.11690	21.3
149.09650	13.3
149.13251	6.2
151.11200	5.0
154.18616	1.6
157.10123	7.7
159.07919	2.3
159.11688	11.5
161.09621	2.7
161.13280	4.7
163.11148	7.3
163.14830	2.0
165.12776	5.1
169.10095	2.5
169.12163	1.8
171.11751	4.2
173.11902	1.4
173.13255	8.5
175.11208	2.8
175.14911	1.8
177.12770	5.6
179.10736	1.8
181.12253	2.1
183.11691	3.4
187.11301	1.7
187.14876	2.3
189.12801	2.1
193.12279	2.2
195.13794	2.1
197.13341	4.5
199.27303	1.6
201.12810	2.0
201.16460	2.2
207.13773	1.7
229.19562	2.9
233.18929	2.2
235.16919	3.1
239.17874	2.9
247.20583	7.3
257.19052	9.2
263.19897	2.1
267.15921	2.1
269.17487	4.5
271.15167	1.6
275.20084	69.8
276.20346	2.1
285.17035	1.9
293.21036	4.0
347.15506	1.8
347.33481	1.5
349.23788	31.0
367.24799	42.5
376.34338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.05521	24.2
57.07078	9.2
59.37176	4.2
59.57804	4.3
65.03953	4.7
67.05511	46.7
69.03415	7.2
69.07082	34.4
69.52243	31.1
71.04986	10.1
76.08336	4.6
79.05495	42.9
81.07059	51.2
83.04980	6.9
83.08633	10.6
88.54552	4.4
91.05492	59.8
93.07048	86.9
95.04969	31.2
95.08620	63.4
97.06535	21.6
97.10180	6.5
99.08103	4.5
103.05437	4.3
105.07034	100.0
107.08602	60.5
109.06523	15.0
109.10174	54.5
115.05481	4.5
117.07007	22.6
119.07796	6.1
119.08596	90.7
121.06488	14.5
121.10164	53.5
123.08062	12.1
123.11752	23.1
128.06274	11.9
129.07005	16.7
130.07794	9.1
131.08565	63.6
133.10138	65.3
134.73479	4.4
135.08051	16.5
135.11703	19.4
137.09592	6.5
142.07782	17.7
143.08574	44.1
144.09348	13.3
145.10127	67.8
146.07283	7.6
147.08032	15.2
147.11711	23.9
149.09616	19.2
149.13264	11.0
155.08565	14.3
156.09354	15.2
157.10139	56.3
158.10892	11.7
159.08087	10.4
159.11720	50.0
161.09630	52.4
161.13275	6.6
163.11218	6.9
166.07834	4.9
167.08556	7.4
169.10118	22.0
170.10950	6.8
171.11684	32.2
173.09663	11.9
173.13243	28.4
175.11255	10.7
175.14941	22.0
179.08591	10.9
179.14377	8.1
181.10161	8.0
183.11691	18.1
185.09625	4.6
185.13278	23.9
187.11293	5.3
187.14809	16.6
189.16306	5.1
193.10217	8.5
194.10976	8.6
195.11719	10.6
197.13268	20.2
197.98528	4.5
199.14917	11.1
201.12785	9.6
201.16388	6.2
206.78030	4.9
207.11769	5.4
208.12202	6.1
209.13272	21.3
211.14821	12.4
213.16382	6.5
225.16415	6.5
227.14346	18.0
237.16217	7.6
239.17960	9.6
240.18350	4.6
249.16476	5.4
251.17848	4.9
255.17616	6.3
257.19119	6.7
265.16043	4.1
265.19473	5.4
300.58386	4.3
331.26480	7.3
349.27286	14.3
367.26541	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2846
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
52.23034	3.3
53.03946	3.0
53.46259	2.9
55.01861	4.8
55.05514	16.6
57.07079	7.2
67.05501	24.3
69.03426	5.9
69.07069	34.4
71.04993	4.9
71.08643	25.4
78.44288	3.0
79.05489	12.8
81.01873	3.0
81.07071	42.5
83.08614	9.5
91.05474	21.8
93.07055	21.5
95.04977	9.7
95.08611	33.8
97.06530	6.3
97.10168	4.7
99.08133	20.0
105.07045	21.5
107.08595	13.4
109.06528	30.8
109.10174	9.9
111.11689	4.3
117.07002	5.7
119.08582	13.3
121.06494	9.5
121.10140	9.0
123.08089	8.4
123.11724	9.5
129.08876	3.1
131.08511	7.0
133.10124	16.2
133.23491	2.9
135.08022	7.5
135.11694	8.4
139.11195	8.8
141.09142	4.3
145.10130	9.2
147.11678	7.5
149.09612	3.5
159.11771	3.2
161.13249	9.3
163.11136	7.5
165.12746	58.7
175.14864	4.8
177.12767	7.7
177.16364	3.7
209.19020	17.3
219.17595	3.3
289.25272	18.9
307.26346	8.6
317.21066	5.9
317.24768	100.0
331.25922	3.8
335.25876	32.7
349.27402	85.5
367.24399	3.7
380.54648	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	367.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.05510	20.1
56.96563	2.7
57.07079	5.8
59.05001	3.7
63.90927	2.2
65.03934	3.0
67.05511	93.1
69.07076	16.4
70.16628	8.3
71.05009	19.0
79.05499	49.2
81.07062	100.0
83.08624	10.2
85.06550	3.4
87.04452	5.8
87.67538	2.2
89.06049	17.7
91.05489	34.8
93.07053	60.0
95.04980	5.5
95.08615	77.7
97.06554	3.5
97.10171	5.3
98.97576	8.1
99.08076	4.2
105.07043	20.0
107.04951	2.6
107.08609	43.1
109.06548	2.9
109.10168	48.1
116.98637	4.3
117.07025	9.5
119.08606	21.1
121.10149	29.7
123.08092	2.3
123.11726	26.3
128.18051	2.4
131.08577	20.3
133.10149	19.8
135.08061	2.8
135.11703	29.1
137.13239	10.5
145.10123	17.8
146.04388	2.7
147.11711	18.7
149.09554	2.9
149.13304	16.9
151.14806	2.8
159.11716	14.0
161.13255	10.8
163.11157	2.8
163.14856	11.7
171.11758	3.0
173.13278	15.4
175.14746	3.7
177.16379	8.5
179.14311	3.1
187.14833	8.2
189.00529	2.9
189.16257	5.3
199.14862	3.9
201.16444	4.9
243.21111	16.1
245.22639	3.3
256.13318	6.1
261.22165	71.9
263.23767	10.7
279.23187	30.2
312.19540	8.9
312.23019	2.8
326.79672	2.5
331.26270	2.9
345.77423	2.7
346.18954	7.2
346.69345	2.9
347.19708	6.3
349.27353	28.9
355.19589	5.6
355.69513	3.1
366.70392	9.1
367.28915	22.3
367.33267	3.2
367.70850	2.6
390.50919	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	23.8
55.05515	25.0
56.96571	7.3
57.03447	10.8
67.05511	57.2
69.07063	16.5
69.98943	16.1
72.05301	4.8
74.27757	5.1
75.64245	4.7
79.05505	42.3
81.07069	89.6
83.04992	15.1
83.08611	18.9
85.06546	10.3
86.06065	7.5
91.05495	45.1
93.07052	73.8
95.04984	15.5
95.08620	68.9
97.10181	8.6
98.97523	4.8
104.10750	6.4
105.07036	69.8
107.04929	7.8
107.08599	48.8
109.06538	6.1
109.10166	38.4
111.08080	36.1
113.06013	4.6
113.09666	11.4
117.07051	11.0
119.08602	51.7
121.06494	9.4
121.10148	34.5
123.11726	13.4
129.07031	9.0
131.08580	30.7
133.10147	53.6
135.11690	47.6
137.09636	8.0
143.08575	14.8
145.10124	45.8
147.11703	63.2
149.13280	37.4
155.08464	6.5
157.10117	19.8
159.11702	46.3
161.13255	63.0
163.11217	5.7
163.14844	9.2
169.10175	7.2
171.11696	9.8
172.95245	5.0
173.13246	31.4
175.14807	26.7
177.16447	7.0
183.11694	7.9
183.95615	5.1
185.13229	22.6
187.14813	26.1
189.16415	15.1
197.13205	5.3
199.14862	21.7
201.16397	21.3
205.15926	4.6
211.14792	10.1
213.16389	17.4
215.17915	17.3
225.16461	8.3
227.17982	11.3
229.19438	7.5
233.15535	6.9
239.17976	19.0
241.19604	9.3
252.36464	4.1
253.19618	5.7
255.21117	11.8
257.19055	8.3
257.22797	4.2
261.80585	4.9
267.21045	10.9
275.20026	16.0
278.64056	5.4
279.21054	7.2
295.24072	6.0
297.25702	9.3
328.09070	5.1
337.10309	21.3
344.22589	4.0
349.24130	8.3
349.28845	85.8
367.25684	6.9
367.29971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.96563	0.9
57.03433	0.8
57.83356	0.7
67.05514	0.7
67.98312	0.7
69.03438	0.8
70.06586	1.5
71.58264	1.0
73.65065	0.7
77.82681	0.7
78.02941	0.6
79.05477	0.8
81.07056	0.7
83.05000	3.3
84.04515	0.7
85.02902	1.8
85.06525	1.0
89.03932	2.7
91.05502	2.8
93.07023	0.7
97.02881	1.6
98.97578	2.8
103.05486	1.2
104.06890	0.6
107.04966	1.1
110.97611	1.0
112.11248	0.7
116.04991	0.8
116.98600	1.3
117.03378	2.9
117.05772	1.1
118.06561	1.6
119.04948	2.4
120.08139	0.9
121.02811	0.7
121.06522	5.3
122.06913	0.6
128.98615	0.8
130.06531	1.3
131.04912	1.3
132.08200	0.7
134.06056	1.8
135.04417	5.2
137.06001	1.1
142.06537	0.8
143.00134	0.9
144.04475	2.2
145.02867	4.7
146.05984	3.2
147.04442	1.2
148.07581	1.5
149.05966	0.7
150.05469	1.0
153.09125	0.8
156.04543	0.7
158.06020	1.0
159.06749	1.0
160.03960	1.1
160.07561	2.7
161.05951	0.7
162.05486	4.0
163.03929	17.6
164.04303	1.1
165.05482	1.9
167.06961	0.7
170.06000	1.2
171.10210	2.0
172.03915	1.2
174.05540	1.8
176.07112	2.0
177.05449	3.2
178.05026	1.7
186.05530	2.6
188.03442	0.9
188.07092	4.4
190.04927	0.8
191.05743	1.2
192.06624	3.2
192.10159	0.8
194.08112	4.7
202.05025	1.3
202.08664	1.5
204.06610	6.8
206.04591	0.8
207.06499	1.3
214.15904	0.7
216.06773	0.9
218.04544	4.6
218.08148	5.7
219.01758	2.2
220.06435	3.2
220.09702	24.4
232.06076	6.9
234.07629	17.0
236.05502	4.9
237.02837	3.0
246.07698	1.6
248.05595	2.4
250.07120	10.1
252.08701	23.5
260.05557	1.6
262.06989	0.9
264.06070	0.7
264.08640	5.2
266.06708	7.4
276.05176	0.8
278.06766	3.3
278.09622	0.6
279.34512	0.8
280.08200	19.2
282.09750	42.8
294.06186	1.5
294.09604	1.1
296.07474	1.1
308.07703	11.4
324.10843	13.4
326.08762	13.0
336.07111	1.0
338.08612	1.0
368.09796	100.0
369.10574	2.4
381.09012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
53.24926	0.2
55.48669	0.2
57.03452	0.3
57.41463	0.3
61.02927	0.7
69.03432	2.4
69.53784	1.7
71.04980	0.4
73.02902	0.3
74.42515	0.2
81.03418	0.8
85.02902	5.6
87.04456	0.4
91.03963	0.3
97.02909	2.1
98.97604	0.3
109.02884	0.5
117.03356	0.3
120.06559	0.3
127.03906	1.0
129.83504	0.2
132.04446	5.2
135.04414	0.3
145.02855	0.4
145.04907	1.3
146.03917	0.2
160.03970	0.7
163.03880	0.7
177.05510	1.0
178.04997	56.9
179.05359	0.4
183.10210	0.2
206.04489	100.0
207.04771	1.1
219.01582	0.2
270.24316	0.3
289.35336	0.3
368.09888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01858	1.8
55.05488	1.2
61.46675	0.9
66.95689	0.9
67.05511	2.2
69.03412	1.4
69.07069	11.8
71.04980	2.0
71.94836	1.1
79.05496	6.7
81.03428	6.0
81.07066	2.6
83.04971	4.7
86.09711	100.0
91.05489	15.8
93.07053	11.6
95.04969	4.8
98.21127	9.5
99.04474	3.1
105.07023	10.9
107.04971	4.5
107.08597	4.5
109.02894	6.7
109.06561	1.8
115.05509	1.5
117.07026	30.1
117.07849	1.7
119.04942	1.3
119.08609	8.0
121.06526	6.7
121.10116	1.8
123.04462	11.0
128.06241	2.6
128.10719	5.3
131.04898	1.2
131.08575	15.3
132.10201	6.7
133.06494	4.5
133.10135	11.9
135.08061	31.1
135.11676	3.8
141.07004	3.1
143.08575	3.6
145.06483	5.8
146.11778	12.6
147.04417	1.6
147.06363	1.4
147.19479	1.0
148.76442	1.0
149.03833	1.0
149.09595	6.1
156.10257	1.6
159.08069	21.3
159.11700	1.0
161.05988	1.8
161.09625	11.6
163.07556	23.0
163.11154	1.5
169.06435	1.7
177.09113	19.7
179.10664	5.3
180.06673	1.2
181.08575	7.7
187.07573	14.9
188.07112	1.6
189.07492	1.5
189.09081	1.4
194.11790	1.1
195.10233	5.4
205.08609	80.1
222.11327	2.3
244.16899	5.3
246.18533	3.1
248.16647	1.1
262.18085	5.6
272.16492	3.6
290.17514	53.8
304.19107	2.0
308.18582	26.6
318.17026	2.0
322.20102	12.4
332.18576	1.5
336.17950	5.8
350.19608	9.0
351.14264	2.0
368.20731	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	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52062	1.2
51.33384	0.9
55.01871	1.8
55.05510	7.8
55.62269	1.0
57.03432	2.6
57.07068	4.0
59.05001	2.3
60.23481	1.2
62.46907	1.1
67.05503	6.4
69.03397	2.3
69.07074	43.6
69.27039	10.4
71.04989	3.2
71.08629	1.4
77.09101	1.2
79.05495	5.3
80.35683	1.1
81.07066	9.1
82.17445	1.0
83.04964	3.7
83.05460	0.9
83.08626	8.2
85.02906	7.3
85.06531	1.1
85.61665	1.0
91.05495	1.4
93.07051	11.4
95.08604	10.8
97.02879	2.2
97.06532	17.1
104.07803	0.9
107.08604	14.9
109.10174	7.9
111.08097	5.5
111.11714	5.8
115.07537	2.8
121.06523	2.1
129.65691	1.0
135.11705	41.0
153.12759	73.6
165.05592	1.5
171.13812	100.0
172.14230	1.1
189.14874	16.5
368.14023	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	15.7
58.18108	0.3
65.03944	1.1
65.19639	0.3
68.67350	0.3
69.46410	0.6
69.46822	1.9
81.48466	0.3
91.05486	100.0
93.07036	0.4
105.07031	0.3
107.04961	9.6
108.08123	15.0
121.06513	0.3
122.06079	0.3
147.08075	0.8
149.05969	3.7
150.09134	0.5
159.57539	0.3
160.07620	0.4
163.11191	5.1
178.08633	2.9
197.09625	3.4
219.17435	1.5
239.10756	1.0
256.13342	52.8
257.13553	1.0
312.19592	57.9
313.19904	1.3
368.25876	4.8
369.24286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.8
56.96563	11.3
61.02930	10.6
67.05500	5.6
69.03423	25.0
69.21150	47.8
71.04980	11.6
79.96191	5.6
81.03413	9.6
82.99811	4.8
84.08172	7.1
85.02909	51.1
87.04487	6.1
88.64037	5.2
91.03993	8.2
97.02907	25.2
98.97603	50.4
99.04490	5.8
101.00865	23.9
103.00634	9.4
109.02873	8.8
110.07118	4.6
111.04477	6.0
116.98650	10.6
117.03415	5.5
119.01920	19.6
121.01669	10.4
127.03964	8.0
128.98625	4.5
131.01970	8.8
135.04353	5.1
137.06032	9.6
143.00180	9.4
143.01923	12.9
145.02786	6.4
145.05014	13.1
147.03288	6.0
147.31303	4.5
157.03520	14.7
158.99753	7.2
159.03247	11.7
161.01312	4.8
161.02852	7.4
163.02747	6.2
163.03835	24.3
173.02914	7.3
175.04489	8.1
177.05553	17.2
179.02397	9.0
184.05862	8.8
184.08827	4.5
188.07866	4.4
190.54376	4.8
193.06367	9.6
194.07092	8.5
205.05594	11.4
207.05006	11.2
219.01648	5.6
220.06870	6.1
221.03421	9.3
223.06673	21.9
224.06728	5.8
225.06314	13.9
239.04286	22.6
265.07794	7.9
267.07571	7.5
281.05566	11.1
351.11121	7.2
369.10907	100.0
375.14859	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72790	0.4
59.01437	0.4
69.75253	2.5
72.94513	0.4
78.00145	0.5
85.02864	0.6
89.03942	1.0
98.21460	0.9
106.05742	0.4
108.05148	0.5
117.03395	2.2
118.07234	0.4
126.08857	0.4
133.37787	0.4
145.02879	5.1
163.03860	0.7
165.05455	1.3
165.06721	0.5
177.05489	10.1
185.04237	3.2
191.89195	0.5
206.05498	3.1
207.06299	7.5
291.86868	0.5
351.88855	0.5
369.11584	100.0
370.11801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01878	3.4
56.96560	2.4
57.03428	4.4
59.18135	1.3
61.02907	3.4
62.68930	1.4
64.78089	1.4
68.99787	6.2
69.03436	15.9
69.48851	5.7
69.49286	4.7
70.06586	2.6
70.07230	1.4
71.04996	2.6
73.02905	2.3
77.09350	1.5
79.05495	5.3
81.03426	14.3
81.07054	1.9
85.02911	29.3
87.00825	10.8
91.05498	12.5
93.07033	6.5
95.04978	2.7
97.02886	5.4
98.20908	3.9
98.97589	4.2
99.04443	3.3
103.03944	6.5
103.05470	7.9
103.06058	1.4
105.01856	2.7
105.07036	11.3
107.04963	5.5
107.08586	8.4
109.02887	8.8
112.99174	1.9
115.05450	10.1
117.01915	2.0
117.07022	31.4
119.05053	1.4
119.08585	1.6
121.06514	36.1
123.04403	1.5
127.03929	17.8
128.06175	3.4
129.01892	3.5
129.07014	4.5
131.04976	2.2
131.08542	3.0
133.06502	17.1
135.08063	21.1
135.21532	1.3
137.05959	3.0
141.06993	2.8
141.12811	1.8
141.55299	1.3
144.05588	2.0
145.02927	1.6
145.06499	40.6
147.02905	2.9
147.04445	2.2
147.08058	5.0
149.05962	7.6
151.07530	6.3
153.06943	3.5
153.12744	1.6
155.06007	3.3
155.08574	5.1
157.06508	12.9
158.07272	4.2
159.08054	5.7
160.87163	1.4
161.05994	4.7
162.03687	2.5
163.03938	4.5
163.07558	100.0
165.05486	16.7
165.06978	4.1
169.06544	1.8
171.02963	1.8
171.08011	2.6
171.13805	4.7
173.05962	1.8
173.09677	2.3
175.07617	10.3
177.05499	2.6
183.08066	9.4
185.06015	5.8
187.07544	15.4
189.03932	6.5
201.09135	9.3
201.87523	1.4
203.07054	4.1
211.07469	16.0
217.08691	1.9
219.01765	3.1
229.08633	23.1
231.05029	3.0
234.99060	2.0
237.02753	1.7
247.09671	6.6
283.11737	7.4
333.09518	2.9
351.10693	2.7
357.08737	1.9
369.11685	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	369.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18990	0.5
61.96614	0.5
63.02377	0.9
65.26791	0.5
65.32592	0.4
69.44164	1.5
69.44592	2.7
89.03923	8.1
91.05524	0.6
97.02884	0.9
98.20809	1.1
104.44073	0.6
106.04182	0.9
117.03391	20.7
120.72401	0.5
134.03641	1.8
135.04445	1.6
145.02859	50.7
146.03116	0.5
147.04410	0.6
149.05984	8.6
163.03882	1.1
165.05440	0.8
175.03926	0.8
177.05486	100.0
178.05836	1.3
186.05440	0.6
207.06528	2.1
280.63394	0.6
327.29468	0.5
351.10507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
66.04728	0.4
67.05506	0.5
69.03431	1.0
69.78802	2.0
71.04987	0.4
74.39110	0.4
77.03922	0.6
78.04702	0.5
79.05485	2.2
81.03425	1.1
81.07030	0.6
85.02898	0.9
89.56110	0.4
90.86758	0.4
91.05487	2.8
93.07001	0.5
94.04184	0.7
95.04955	1.6
97.02859	0.9
103.05479	0.5
105.03413	1.0
108.62901	0.3
109.02872	0.6
109.06493	2.1
113.42766	0.4
119.04962	2.6
121.02894	0.5
121.10197	0.5
122.03629	1.4
123.04445	0.4
127.03940	0.6
133.02855	1.8
135.04445	1.0
136.23215	0.4
137.05975	4.6
147.04413	1.9
151.03911	11.2
161.06024	0.5
165.05484	100.0
166.05827	0.6
167.07016	0.6
175.03934	2.9
177.05522	0.7
179.07066	0.9
207.06549	3.6
295.08188	2.9
337.10416	0.6
351.10944	0.8
369.13245	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02393	0.7
53.03936	2.2
55.01868	0.8
57.03419	0.7
65.03942	1.1
69.03432	7.3
71.02599	1.4
71.04988	0.9
73.02908	0.8
77.03931	1.3
81.03420	17.4
81.03915	0.8
81.07059	0.6
85.02902	5.7
89.03929	1.2
89.73013	0.5
91.05483	23.6
97.02880	1.7
98.42805	0.5
99.04454	2.3
103.05443	1.1
105.03375	0.6
105.07025	0.8
107.04947	0.7
109.02886	5.9
119.04950	33.7
121.02926	0.7
121.06512	0.9
127.03895	2.0
129.03310	0.8
129.07004	0.6
131.04811	0.6
132.02058	1.6
133.02852	0.8
135.04428	1.2
137.05998	1.1
145.02859	1.3
147.04417	29.9
149.02406	1.0
151.03915	1.8
157.02856	1.1
157.03989	3.4
157.06604	0.7
161.05954	2.4
163.03967	0.8
164.04715	0.8
165.05496	4.7
167.07054	1.8
175.03914	50.0
176.04250	0.7
177.05469	1.1
179.06932	2.8
185.02327	1.1
189.05525	1.7
192.04158	2.7
207.06535	100.0
208.06911	1.3
213.01935	0.6
215.06985	0.8
225.07596	2.4
245.04474	7.0
259.07556	0.5
337.10602	1.6
351.10751	22.3
367.82324	0.5
369.12656	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02393	0.6
67.05505	1.6
69.03424	0.7
71.54112	1.1
85.02896	1.0
86.07623	0.7
89.03925	9.2
91.05486	1.6
91.91109	0.8
95.04965	4.7
97.02919	1.0
106.04168	0.9
117.03390	26.5
123.04424	6.2
134.03651	2.1
135.04433	0.7
145.02858	57.4
149.06004	8.4
151.03897	3.4
165.05487	10.5
165.84412	0.6
177.05486	100.0
183.06573	1.4
193.05119	1.0
267.08716	2.0
282.99188	0.6
361.21796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01859	0.5
56.35104	0.4
65.03934	0.5
67.05508	0.5
69.03430	2.1
70.92619	1.1
71.04985	0.5
79.05504	2.3
81.03411	1.9
81.07050	1.6
85.02901	1.1
91.05487	4.4
94.04169	0.5
95.04960	1.2
97.02901	1.5
98.97565	0.9
103.05467	0.8
105.03368	1.3
107.04929	1.1
109.02867	0.8
109.06485	2.4
117.03398	0.5
119.04945	5.7
119.08590	0.7
121.02901	0.5
122.03627	1.3
131.04996	0.6
133.02846	2.5
133.06482	0.5
135.04420	1.7
137.06006	4.3
145.02831	0.8
147.04399	4.3
147.08058	0.5
151.03914	13.1
161.05922	0.6
165.05479	100.0
166.05788	0.8
167.07047	0.7
173.06110	0.5
175.03915	8.3
175.07523	2.2
177.05496	1.5
178.31133	0.4
179.07051	0.6
181.08612	1.0
189.05414	0.4
207.06537	13.5
207.10065	0.7
213.00380	0.5
225.07736	0.5
268.69824	0.6
269.08209	0.5
271.59863	0.4
277.08807	0.6
285.07397	0.6
291.10110	1.0
295.08231	3.2
315.08609	1.2
322.08408	0.5
337.10703	1.0
351.10910	1.5
369.13470	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
59.38100	0.4
63.02394	0.5
69.03426	1.0
69.67941	1.8
70.76608	0.4
78.04729	0.6
83.04995	1.1
84.44261	0.5
85.02901	1.2
85.51401	0.4
89.03921	7.2
91.05479	1.1
106.04177	1.0
117.03384	23.6
118.03732	0.4
118.06284	0.4
119.04908	0.5
134.03632	1.7
135.04428	0.9
139.08514	0.4
145.02855	57.0
147.04448	0.7
149.05998	7.3
149.09586	0.8
163.11296	0.6
167.69629	0.4
171.66783	0.4
175.03958	0.6
177.05479	100.0
178.05804	0.8
189.12746	1.2
191.14294	0.8
195.06500	0.5
207.06549	1.2
207.13872	1.5
224.61659	0.5
255.03181	0.5
345.27548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
51.90177	2.2
53.03936	3.6
59.83398	1.9
65.03937	9.2
67.05506	4.0
70.86815	4.3
70.87156	2.1
76.08409	1.9
81.03394	4.6
82.04201	3.2
85.02925	2.5
91.05500	9.6
93.03397	5.6
95.04967	6.5
105.07047	2.7
107.04967	3.7
110.03661	8.4
111.04443	7.7
115.05482	3.3
119.04942	11.2
119.08576	4.4
123.04416	7.6
125.06002	10.4
128.06294	4.3
129.07011	2.3
132.05725	4.1
138.03105	3.0
141.06961	3.9
141.26860	2.3
143.08607	3.5
145.06522	2.3
147.04411	11.1
147.08020	4.9
151.04025	2.6
153.05466	28.6
155.07039	2.2
156.05678	2.9
159.08035	4.0
165.05492	10.5
166.40239	1.9
168.04216	3.0
169.06458	5.9
171.08081	2.8
175.03917	10.0
175.07567	23.2
176.03244	2.4
183.06541	9.0
184.05200	9.6
185.06036	5.5
187.07556	3.1
189.05414	2.8
189.07022	2.3
191.08563	4.5
195.08051	2.0
199.07556	100.0
201.09164	2.1
207.06516	32.6
207.08107	2.4
208.08900	3.7
216.07768	10.0
218.07361	4.3
219.08012	10.1
220.08743	5.6
221.05975	4.6
229.08643	7.9
233.09541	3.2
234.06689	3.8
235.07570	7.5
236.08324	7.1
237.09061	3.8
247.07593	3.7
249.09180	3.9
251.10661	12.0
261.08957	2.5
263.07095	6.7
264.07846	14.3
265.08640	5.0
275.06946	2.4
277.08588	7.4
278.09238	4.4
279.10196	7.9
281.08234	4.6
293.07977	2.8
294.08813	2.5
307.09717	33.7
308.10406	2.1
309.11197	3.9
311.12830	14.6
319.09988	3.1
323.09308	2.7
324.10086	3.4
337.10736	7.3
339.12280	33.1
341.14078	2.9
347.75137	2.2
351.11401	3.3
369.13391	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	369.1333
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01852	2.9
55.05503	3.3
59.53837	2.6
65.03929	9.9
67.05496	5.1
68.04767	2.7
69.03411	3.2
69.43901	16.0
69.44308	6.1
72.08185	3.2
81.03394	5.5
85.02885	5.4
91.05473	12.8
93.03409	5.5
95.04960	7.3
95.78197	3.3
98.21481	4.6
105.07008	3.8
107.04966	4.3
110.03644	10.9
111.04430	5.9
115.05473	3.6
119.04936	11.3
119.08541	4.8
123.04433	6.4
125.05992	11.1
128.06163	7.8
137.05969	5.1
141.06970	5.7
147.04399	11.4
147.08043	3.7
153.05484	25.2
156.05757	3.2
156.37840	2.9
160.05179	3.6
161.06042	4.3
165.05521	18.9
169.06471	6.9
175.03915	22.6
175.07545	21.6
179.07080	4.2
183.06526	10.7
184.05171	10.8
185.06024	6.4
190.07730	3.8
199.07536	100.0
202.07634	3.2
206.07300	4.2
207.06543	38.8
207.08192	5.4
216.07726	13.8
219.08005	11.6
220.08823	5.4
221.09778	3.2
229.08600	6.5
233.09445	3.3
234.06761	4.8
235.07632	4.9
236.08240	7.1
247.07617	5.2
249.08984	5.0
250.06253	3.0
251.10680	9.4
263.06992	6.2
264.07962	16.5
266.09283	2.9
277.08640	7.3
278.09335	6.0
279.10117	12.3
293.08139	4.1
307.09711	33.6
308.10446	5.3
309.11429	4.5
309.92331	3.1
311.12772	15.8
311.27219	3.1
324.10098	4.8
337.10675	10.7
339.12302	37.3
351.11359	4.4
363.00677	3.2
363.18643	3.2
369.13535	17.2
375.41290	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	369.1335
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01859	2.2
65.03947	1.4
69.03410	2.9
69.49338	6.1
70.03220	0.9
79.05456	1.0
81.03396	2.4
81.07055	0.9
85.02892	2.4
91.05462	6.0
93.03424	0.9
95.04963	1.9
98.97571	1.7
103.05444	0.9
107.04939	1.4
115.05495	1.2
119.04954	8.0
119.08617	0.9
121.06477	0.9
131.04933	1.6
133.06505	1.2
137.05962	3.8
147.04401	5.3
151.07579	1.6
153.05469	1.6
159.08035	1.2
161.06004	2.3
165.05452	3.9
165.07013	2.6
166.07898	1.2
167.07068	0.9
169.06470	1.6
175.03934	10.5
175.07495	3.9
177.05487	1.8
178.07774	2.9
179.07065	1.0
179.08514	1.4
181.06421	1.2
183.06546	1.3
189.06990	1.6
189.08925	1.0
190.07793	1.6
190.87059	0.9
191.08575	3.0
192.09323	1.1
194.07303	3.0
195.08060	1.7
199.07558	13.7
202.07747	3.2
203.08620	3.0
205.06508	3.1
206.07233	2.3
207.06493	20.5
207.08084	2.1
208.05225	2.9
208.08841	0.9
209.09663	1.5
211.07477	1.1
218.07178	4.0
219.08073	6.1
220.08800	3.4
221.06024	3.4
221.09703	1.6
221.12103	0.7
222.06796	3.8
223.07536	3.1
224.08357	1.0
230.07297	1.4
231.08034	5.2
232.08853	1.7
233.05925	3.1
233.09625	1.1
234.06789	3.6
235.07574	7.1
235.11057	1.2
236.08327	2.9
237.09117	5.2
238.06224	1.8
238.09825	1.7
239.07117	0.9
245.09622	1.1
246.06740	1.2
247.07542	7.5
248.08315	6.2
249.09055	4.4
250.06285	3.3
250.09976	1.4
251.07001	4.5
251.10696	3.1
252.07735	2.4
259.07532	1.9
260.08282	1.1
261.09164	3.3
262.06241	1.9
262.10004	1.1
263.07028	5.4
263.10739	3.5
264.07745	4.4
265.08597	14.3
266.05865	1.6
266.09363	3.4
267.06662	1.2
267.10220	1.5
269.08139	2.5
274.06107	1.2
275.07043	3.6
276.07742	4.0
277.08600	4.8
278.05930	1.8
278.09329	2.5
279.06549	3.1
279.10193	6.0
280.07352	1.4
281.08179	1.1
281.11530	1.1
285.07654	0.9
291.10156	14.9
292.07291	1.1
292.90039	0.8
293.08197	7.4
294.08835	4.9
295.09659	2.6
300.09973	1.6
305.08206	2.2
306.09323	1.0
307.09637	8.4
308.10449	3.5
309.07642	1.6
309.11160	11.9
311.09460	1.4
311.12781	3.8
313.10703	1.1
315.08640	8.1
319.09598	7.1
320.10159	1.3
322.08420	2.7
323.09164	2.9
324.09961	1.7
325.10510	1.3
336.09985	1.6
337.10712	100.0
338.11462	6.2
339.12207	9.6
351.11688	3.8
354.10999	1.5
369.13336	45.4
370.13574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
52.55544	1.1
53.03955	2.1
55.50888	1.1
57.03437	1.4
65.03938	1.9
69.03439	8.9
70.20388	2.4
70.20781	2.5
71.05002	1.6
79.05508	2.1
81.03439	8.5
81.07040	1.7
85.02905	5.6
85.76740	1.0
89.03928	2.1
91.05486	24.0
95.04982	1.1
95.34743	1.1
97.02891	5.1
98.20761	1.3
103.05463	1.7
105.03394	1.8
105.07053	1.5
107.04940	2.0
107.08577	1.4
109.02862	4.1
119.04115	2.3
119.04949	35.6
121.06503	1.6
121.10152	1.9
127.03937	2.6
128.06239	1.3
131.04953	1.5
137.05963	6.1
145.02831	1.8
147.04411	28.5
151.03894	4.3
151.07521	1.3
157.04002	2.7
161.05957	1.7
165.05473	8.2
165.06656	1.4
175.03918	50.9
175.07484	4.2
177.05457	3.8
177.06883	1.2
178.07771	2.2
178.09283	1.2
179.07056	2.9
187.07585	1.6
189.07089	1.4
191.08492	2.2
192.04221	2.1
194.07236	2.3
195.11703	1.3
199.07532	7.0
202.07799	2.5
203.08595	2.2
205.06465	2.0
206.07280	2.3
207.06541	100.0
208.05174	2.9
219.08052	4.9
220.08849	3.9
221.06000	2.6
221.09494	1.3
222.06834	2.7
223.07542	3.3
224.08496	1.3
225.07576	2.0
230.07266	1.5
231.08072	2.9
233.06068	2.4
234.06749	2.5
235.07544	3.5
236.08212	3.1
237.08974	1.8
239.07207	1.4
246.06897	1.5
247.07520	5.8
248.08296	4.2
249.09047	2.6
250.06213	2.3
251.06947	3.8
251.10748	2.2
252.07745	1.8
253.08551	1.8
259.07562	1.7
261.09158	2.2
263.07233	2.9
263.10715	2.1
264.07861	2.9
265.08569	8.4
266.09445	2.7
269.08121	2.3
275.06976	2.1
276.07791	2.5
277.08572	4.3
278.09357	1.5
279.10159	4.4
280.07312	1.9
281.08255	1.5
285.07599	2.4
290.09341	1.5
291.10165	8.0
293.08139	5.5
294.08981	3.3
295.09607	2.8
305.08142	1.3
307.09622	5.1
308.10321	2.3
309.07932	1.7
309.11191	9.2
311.12607	2.4
315.08588	7.1
319.09637	4.9
323.09167	3.6
324.09885	2.1
337.10742	54.8
338.11334	3.7
339.08734	1.5
339.12158	6.1
351.10864	10.8
369.13406	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	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.2
55.61939	1.1
55.66093	1.1
57.03435	3.4
67.05489	3.7
69.03439	13.0
69.07085	2.8
71.01358	1.9
71.03543	1.3
71.40837	2.0
72.06631	1.0
73.02915	4.0
79.05488	6.5
81.03425	1.7
81.07060	6.0
83.04999	2.6
85.02912	14.5
87.04472	2.6
91.05479	4.9
93.07072	6.4
95.04938	1.2
95.08592	3.6
97.02905	15.2
99.00846	2.0
101.02400	1.4
105.07043	11.9
107.04962	2.0
107.08608	20.3
109.06535	4.2
109.10175	7.7
111.95634	1.3
112.11262	1.7
113.02380	5.6
115.03932	3.9
117.07002	1.6
119.08588	4.7
121.06493	5.3
121.10155	24.7
122.07304	6.4
123.08063	3.0
131.08566	3.6
133.10144	100.0
134.10501	1.3
135.08073	8.3
135.11696	2.6
137.09634	73.6
143.03375	6.6
143.08629	1.4
145.10155	2.6
147.11678	2.4
149.09599	5.5
149.13277	19.4
151.11180	24.6
158.10919	2.3
161.04472	3.1
161.09659	3.1
163.11252	2.7
163.14842	4.0
165.05475	4.8
165.12828	6.4
173.13272	6.6
179.10641	2.6
187.13397	1.2
189.09120	2.5
191.10641	1.5
191.14317	42.3
193.15898	2.7
195.34271	1.4
209.15376	26.4
237.14886	1.2
245.57193	1.2
250.41095	1.2
271.23279	1.4
293.30139	1.2
369.13089	2.3
369.19266	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77593	0.8
55.01869	2.7
55.05519	2.6
57.03439	6.1
62.12858	0.9
67.05512	2.6
69.03441	3.9
69.07076	13.5
70.14397	3.6
71.04995	3.3
73.02924	4.0
79.05524	2.1
79.16975	0.9
79.83932	0.8
81.07071	3.4
83.04995	1.4
83.08652	0.8
84.08145	1.6
85.02912	15.3
85.06548	0.9
87.04482	3.0
87.30698	0.8
91.05493	3.7
93.07056	13.5
95.05012	1.6
95.08607	5.7
97.02897	5.3
97.06541	1.5
98.20850	1.0
99.00859	1.7
99.04437	1.4
103.05486	1.3
105.07054	3.6
107.08605	13.2
109.06519	2.4
109.10188	4.0
111.08112	1.2
112.11222	1.0
113.02384	7.4
115.03950	4.5
115.05453	0.9
117.07042	1.2
119.08588	4.0
120.08133	1.1
121.06512	14.5
121.10162	13.1
123.08077	2.8
123.11684	1.2
131.08569	4.9
133.10153	11.4
135.08083	9.3
135.11713	8.4
137.09669	1.3
139.11186	1.3
143.03426	3.2
143.08601	1.3
145.10150	3.1
147.11702	27.5
149.09651	9.8
149.13266	8.1
151.11221	2.4
158.10910	1.5
161.04489	2.3
161.09642	3.5
163.11237	1.2
163.14828	5.4
165.05524	3.0
173.13278	10.8
176.12027	1.4
191.14328	100.0
192.14769	2.0
193.27861	0.8
207.09958	8.6
209.15343	5.2
369.15048	1.0
369.19110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26405	1.4
51.28178	1.5
55.01871	2.3
55.05519	7.8
57.03433	3.1
57.07080	2.5
67.05510	7.6
69.03433	12.6
69.07063	6.2
69.63698	7.9
71.04994	6.3
73.02915	3.7
79.05472	7.5
81.07075	11.3
83.04991	11.6
83.08646	3.9
85.02906	16.2
85.06502	2.3
87.04469	1.7
91.05460	8.3
93.07050	12.3
94.79952	1.4
95.04963	3.3
95.08615	18.5
97.02894	19.4
97.06558	3.6
99.04473	2.2
99.08105	4.2
101.02422	2.6
102.93081	1.5
105.07063	13.6
107.04959	3.9
107.08601	42.4
109.06513	11.8
109.10149	18.1
111.08163	1.5
113.02358	3.9
115.03941	4.9
117.06984	2.0
119.08569	7.9
121.06519	9.0
121.10153	51.8
122.07269	7.1
123.08072	6.4
125.02399	2.6
125.09656	8.3
131.08598	6.3
133.10133	26.0
135.08049	17.0
135.11676	7.6
137.05939	2.0
137.09624	88.2
139.11185	6.5
143.03371	4.7
143.08553	2.2
145.10123	2.8
147.11705	10.5
149.09619	16.3
149.13271	24.8
150.10426	2.7
151.11189	64.5
153.09131	3.2
158.10941	3.4
161.04466	2.1
161.09567	5.7
163.11223	3.2
163.14844	16.4
165.05496	1.8
165.12738	4.6
173.13275	15.7
177.12790	2.3
179.10718	2.2
191.14320	100.0
207.10100	1.7
209.15372	56.4
215.14229	1.5
237.14854	5.3
269.07755	1.4
346.02997	1.6
350.60150	1.6
369.14685	2.5
369.19016	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01871	1.8
55.05520	17.7
57.03431	6.8
57.07076	2.7
64.89536	1.3
65.03949	1.4
67.05180	2.6
67.05512	43.9
69.07073	18.1
70.84236	2.5
70.84571	2.5
71.04990	3.0
71.08636	44.5
78.42499	1.4
79.05064	3.0
79.05499	45.0
81.03423	6.1
81.07064	47.9
83.04978	12.3
83.08620	11.1
84.08141	1.7
85.06567	2.6
90.75058	1.5
91.04959	2.7
91.05486	32.0
93.06467	3.0
93.07053	62.4
95.04977	10.6
95.08617	35.3
97.06533	7.6
97.10174	4.1
99.08103	32.1
105.07040	22.5
107.04949	6.9
107.08611	34.5
109.06513	3.7
109.10165	17.1
112.11224	2.5
113.09651	3.6
117.07007	3.7
119.08583	17.4
121.06490	5.8
121.09339	1.7
121.10162	29.4
122.94858	1.5
123.08102	2.1
123.11683	2.9
129.06992	2.9
131.08549	5.8
133.10121	12.3
135.08098	3.0
135.11702	34.4
137.09624	5.1
141.09114	3.9
143.08565	3.2
145.10133	6.4
147.11662	6.0
149.13278	10.0
151.11209	14.5
157.10155	2.9
159.11707	5.8
161.09586	1.7
161.13254	12.7
163.11176	6.3
163.14900	1.8
165.05501	3.3
167.10612	3.1
171.11732	3.1
172.94362	4.5
173.11859	2.0
177.12752	3.3
179.14325	100.0
181.12202	1.7
185.13274	3.9
189.12785	3.9
190.95416	4.1
195.13841	3.4
213.16417	1.8
221.15332	3.4
227.12648	1.8
232.96465	5.1
235.16905	5.1
241.19533	2.2
250.97618	2.1
259.20599	5.4
277.21646	70.7
277.24695	3.4
309.13333	1.6
322.95798	2.4
351.25351	78.6
369.24094	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.4
55.01873	4.3
55.05307	1.4
55.05516	16.0
57.03431	3.5
57.07071	5.7
59.12829	1.4
67.05510	50.3
69.03426	2.2
69.06726	2.3
69.07077	35.8
71.04980	2.8
71.08633	2.6
78.61898	1.4
79.05060	2.4
79.05500	36.6
81.03426	56.7
81.07066	49.4
81.97820	1.6
83.04985	12.7
83.08632	7.2
84.08139	1.9
85.06532	2.3
85.10162	2.4
91.05492	23.2
93.07053	34.1
95.04983	28.7
95.08617	18.5
97.06521	4.9
97.10178	7.2
99.08087	3.3
105.07044	18.7
107.08604	25.5
109.06522	9.2
109.10173	19.6
111.08070	2.7
116.14730	1.4
117.07031	3.9
119.08596	13.7
121.06497	3.4
121.10160	11.4
123.11710	6.8
123.38439	1.7
125.09657	7.7
129.06999	3.5
131.08553	4.9
133.06598	1.8
133.10155	15.3
135.08028	3.7
135.11678	6.9
143.08553	4.1
145.10123	4.4
147.08031	1.8
147.11707	12.5
149.13243	5.5
151.11194	40.7
153.09126	3.6
157.10225	2.2
161.13278	9.2
163.14821	3.9
165.05563	2.2
165.12729	9.1
171.10239	2.3
171.11681	3.7
171.61508	1.6
172.94388	2.9
173.13268	2.4
175.11188	2.3
175.14857	3.6
177.12660	1.9
179.14334	4.2
185.13347	2.4
189.11229	2.8
189.12784	4.3
190.95427	2.4
207.13860	4.3
221.15338	2.1
227.12733	1.9
231.17424	2.0
231.21085	10.4
232.96391	5.1
241.19525	5.2
249.22064	4.7
250.97496	2.3
259.20483	8.3
277.21649	100.0
280.94998	1.7
310.39502	1.6
325.42242	1.6
333.66269	1.7
351.25336	71.5
366.54318	1.6
369.24100	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25551	2.2
52.03001	2.4
53.00006	2.5
55.01840	3.2
55.05515	18.5
56.37101	2.4
56.96567	22.1
57.07071	5.7
66.32500	2.5
67.05500	30.8
69.07076	18.4
69.41615	12.4
69.42040	8.6
79.05490	23.8
81.07059	62.5
83.08617	8.4
85.06515	2.9
91.05479	20.5
93.07039	54.8
95.08604	89.0
97.06536	6.2
97.10165	5.9
97.99183	12.9
105.07034	51.4
107.08597	94.1
109.10161	51.4
111.08111	7.6
111.11711	2.6
114.25263	2.2
116.00235	6.0
117.06952	5.6
119.08583	72.3
121.10131	67.6
121.15388	2.3
123.08105	5.6
123.11697	20.3
125.09645	3.3
128.16483	2.7
131.08568	11.7
132.98006	2.5
133.10136	34.8
135.11682	57.5
137.13286	12.0
139.11172	2.6
143.08597	3.6
145.02905	2.5
145.10132	22.0
147.11699	42.4
149.13254	24.0
150.99158	5.9
156.09348	2.7
157.10150	7.7
159.11716	34.1
161.13254	48.9
163.11165	3.7
163.14838	25.6
165.12759	8.8
171.11736	7.2
172.94370	17.1
173.11989	3.1
173.13269	19.3
174.00781	5.3
175.14818	14.8
177.12822	5.5
177.16405	7.5
179.14305	14.2
185.13193	5.8
187.14844	22.5
189.16380	34.1
190.95438	9.3
191.17958	47.6
197.02371	4.9
199.14882	7.8
201.16385	16.4
203.18016	20.3
205.15837	5.4
207.17509	5.0
208.96484	5.3
211.14781	3.1
213.16394	6.0
214.95436	3.2
215.17949	19.4
217.19519	16.8
219.17517	3.0
227.17960	6.0
229.19609	6.0
232.96457	20.4
233.19028	8.3
241.19537	7.7
243.21101	4.0
250.97572	9.8
255.21046	2.9
255.98276	4.4
259.24387	2.9
262.93982	3.2
275.99249	2.5
280.94882	4.0
295.24072	5.8
304.94962	2.7
309.26111	3.5
322.95911	4.6
327.27008	3.2
351.30460	42.3
369.31589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1285
Annotation	Papaverrubine E
Peak:m/z	Relative Intensity
51.02372	0.6
53.03944	1.1
56.03616	0.2
63.64602	0.3
67.05502	0.3
67.90788	0.3
71.50042	0.2
71.58721	0.2
72.27415	0.3
77.03928	0.6
79.05499	27.4
81.07098	0.3
91.05498	1.9
92.05798	0.3
93.07055	2.7
95.04971	1.6
95.08652	0.3
98.97579	0.3
102.04696	0.4
103.05478	82.2
104.05825	1.0
105.04514	0.9
105.07036	2.9
107.04964	35.0
118.61829	0.3
120.04489	0.6
121.06536	3.0
131.04938	31.6
132.05290	0.3
137.05989	0.9
144.08147	0.3
148.03967	0.5
148.07591	0.3
149.06006	3.2
151.06299	1.0
151.07417	0.2
152.07072	1.4
165.05377	0.3
180.06572	54.8
181.06873	0.4
189.77095	0.3
194.08090	0.7
222.07628	8.5
233.11768	0.5
328.11826	39.8
329.12070	0.9
338.59967	0.3
342.13406	0.6
370.12885	100.0
371.13159	1.9
386.11032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.05510	7.0
57.03425	2.4
59.04997	4.0
65.03931	3.8
67.05501	7.1
68.87568	2.6
69.07064	8.5
69.39575	19.0
70.92783	2.5
71.04996	9.5
74.96500	2.8
79.05494	32.6
81.07059	42.4
83.04993	3.0
84.08135	5.2
84.27598	2.4
85.06539	7.7
91.05483	27.3
92.06262	8.9
93.07048	100.0
95.04963	9.1
95.08621	12.6
97.06519	7.7
97.10158	6.3
105.07030	18.8
107.08591	45.7
109.06528	29.5
109.10168	8.5
110.09682	11.8
111.08063	4.9
112.11258	5.1
117.07010	4.5
119.08558	6.6
121.06483	7.1
121.10151	16.6
125.09663	7.0
131.08575	8.7
132.09367	3.0
133.10139	39.4
139.11214	3.2
149.09612	11.3
150.10382	10.3
151.11176	36.8
159.02992	2.5
167.10664	7.2
168.13800	29.6
230.22581	2.3
237.11403	2.4
353.66855	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	371.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60679	6.9
57.03439	15.5
61.02923	12.2
62.82542	7.5
69.03432	31.4
70.86779	15.7
71.37685	6.3
73.02934	15.8
81.03419	14.9
83.04969	6.4
85.02916	66.2
87.04452	7.5
89.03930	6.9
91.03960	10.0
91.05504	10.9
97.02909	27.6
98.97584	26.3
99.04452	8.3
101.00885	52.7
116.98608	11.1
119.01909	46.2
127.03936	18.9
131.01857	7.1
137.05981	26.9
139.02412	9.3
143.01915	28.8
145.03464	13.6
157.03510	56.3
161.03053	19.1
163.03877	47.6
167.07083	9.0
169.03511	8.9
173.02982	8.6
175.04532	19.2
184.05844	15.0
185.03012	8.4
185.06544	7.2
194.07098	12.2
205.05615	29.0
213.04390	18.5
223.06656	98.0
224.07147	7.0
239.04378	12.4
241.07697	16.0
265.07663	53.2
281.07446	24.1
293.07196	24.6
305.07117	24.4
311.08298	30.5
323.08386	14.7
340.42239	7.6
353.09329	67.8
371.07364	100.0
371.11945	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	371.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.01864	0.6
57.03798	0.5
65.03954	0.6
67.55852	0.4
69.03397	0.4
69.42153	3.9
73.85255	0.4
78.04716	1.0
79.05492	2.1
91.05486	6.7
93.03415	0.9
93.07053	8.5
95.04977	2.1
98.20769	0.8
102.04703	0.5
103.05479	7.3
105.04556	0.9
105.07050	1.8
106.04150	0.5
107.04977	5.2
115.05482	1.4
117.07037	0.7
119.08526	0.5
121.02869	1.7
121.06518	100.0
122.03620	0.5
122.06834	0.9
123.04433	2.2
124.05254	0.5
128.06238	1.4
129.07045	2.7
131.04933	1.2
132.05743	1.1
133.06499	2.3
137.05980	4.0
139.03914	0.7
144.05724	1.4
145.06558	0.6
147.08076	1.0
149.02370	1.3
151.03932	2.1
151.07579	2.1
152.04730	0.7
153.05452	0.9
155.04893	0.7
156.05675	0.6
159.08051	2.5
160.05276	0.6
161.06013	4.0
163.07594	1.0
165.05521	0.7
167.03429	7.2
167.07057	30.1
172.05194	1.2
175.07556	6.7
177.05545	0.6
178.07808	0.8
181.06508	0.5
184.05228	0.9
187.07559	8.7
189.07104	0.6
189.09114	0.9
190.07875	0.8
191.03395	0.7
191.07066	1.2
191.08600	0.8
193.10135	0.5
199.07573	2.5
199.87704	0.5
202.07747	0.9
203.08607	1.2
205.06502	0.6
206.07391	1.3
209.04506	1.7
215.08626	0.7
217.08623	0.9
218.07365	1.0
219.08080	1.5
220.09006	0.5
221.09673	1.3
227.73462	0.5
231.08173	1.2
233.06052	0.6
233.09642	1.1
234.06839	1.4
235.07654	0.7
237.09175	0.7
240.07912	0.7
247.07581	0.9
248.08368	0.6
249.09198	2.1
251.07048	1.8
260.08163	0.6
261.09201	1.4
262.06369	0.5
263.07108	0.7
265.08636	0.7
266.09747	0.6
268.74252	0.5
275.07120	0.5
277.08728	2.0
278.09308	0.8
279.10107	0.5
281.11633	3.2
283.09879	0.5
289.08618	0.8
291.10251	0.6
293.08310	0.8
293.11768	1.4
294.08835	0.5
300.09882	0.9
306.08966	0.7
309.11200	4.5
311.09387	0.8
321.11270	2.3
322.11990	0.9
326.11688	1.1
329.10159	4.8
341.13840	5.7
353.13867	2.1
371.11063	1.1
371.14935	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.01862	9.5
57.03444	3.0
61.02922	3.5
69.03436	21.1
69.23058	23.4
70.19270	2.2
77.03874	2.8
78.04710	2.8
79.05492	10.5
81.03420	5.5
83.05001	4.0
85.02906	28.2
89.03880	2.2
91.05484	17.7
93.07043	9.0
94.01149	2.3
95.04951	6.0
97.02884	13.8
103.05468	14.9
103.09418	2.8
105.07033	41.1
106.04172	4.2
107.04944	9.3
109.02874	3.0
115.05455	12.8
118.04159	4.1
119.04943	7.0
121.06496	22.8
123.04427	4.0
127.03905	10.2
131.04939	9.5
132.05734	2.7
133.06500	32.0
135.04439	4.5
135.08049	2.9
137.05978	29.5
139.03986	3.1
144.05775	2.5
145.04988	4.8
147.03311	2.7
147.04420	6.4
149.06003	31.7
149.09622	6.4
151.03912	10.6
155.07031	2.7
156.05736	6.9
159.04398	4.9
159.08072	6.4
160.05257	4.3
161.06000	26.7
163.03972	3.8
165.05493	3.2
167.07045	77.7
173.05862	2.3
175.07581	4.9
177.05493	21.3
179.07036	4.6
181.04947	3.1
181.08601	23.4
187.07555	8.7
191.07050	8.0
191.14410	4.1
193.08621	100.0
203.08557	3.3
207.06535	6.7
209.08093	31.6
209.15372	4.9
217.06831	3.1
217.08577	16.3
218.07172	2.7
229.08495	3.8
233.09540	3.9
234.06712	2.7
235.07544	5.0
247.07481	5.3
247.09752	5.9
249.09175	5.2
260.08423	2.6
261.09033	7.3
268.19077	7.0
277.08548	7.0
278.09262	3.1
281.11780	3.6
285.07458	6.3
293.11691	2.9
300.09821	6.7
301.10538	3.3
307.09723	2.8
309.11215	6.1
321.11121	5.7
323.09134	3.0
326.11368	4.5
339.12323	21.2
341.13879	4.1
353.13831	16.2
371.16916	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73935	1.1
53.03942	3.3
55.01859	2.0
55.05509	4.0
65.03930	2.2
67.05506	17.5
69.03436	13.5
69.07076	1.4
69.41686	7.9
69.42096	2.6
71.01366	7.5
71.04980	5.0
75.76476	1.0
77.03926	1.7
79.05479	5.3
81.07063	2.2
82.95220	1.1
83.04989	14.5
85.02905	9.4
91.05484	3.4
93.07051	4.8
94.01672	1.1
95.04974	72.3
95.08617	1.9
97.02872	3.6
98.21037	4.7
99.04455	2.1
103.05496	1.3
105.03403	2.7
105.07021	4.3
106.59363	1.1
107.04971	2.0
107.08600	10.7
109.06516	4.6
109.10142	6.1
111.04465	10.7
111.08065	1.9
119.04932	1.6
119.08542	2.7
121.06516	3.4
121.10166	4.6
123.04436	44.1
123.08096	2.2
127.03909	1.9
129.05487	7.5
133.10115	4.5
135.04462	1.3
135.08038	2.1
135.11687	3.4
137.05972	3.1
137.09660	6.2
139.68719	1.2
145.10129	2.6
147.11668	2.2
149.09625	2.8
151.03911	90.5
163.11209	8.6
165.05484	100.0
165.12799	1.7
173.09653	1.5
175.03944	5.8
175.14870	2.4
181.12370	1.9
183.06541	22.7
189.07721	1.8
191.10675	7.8
191.14307	8.8
193.04948	16.4
193.15816	2.0
209.11734	2.0
209.15379	2.6
211.16882	4.6
225.07588	2.7
269.10330	3.1
279.08688	5.7
293.35956	1.3
353.12338	1.5
371.16757	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.6
55.01848	0.8
55.05482	0.9
57.03408	0.6
61.02901	0.7
61.59046	0.3
65.03928	0.6
66.04712	0.4
67.05510	1.9
69.03438	4.7
71.04971	0.5
71.39601	0.4
77.03905	0.7
79.05069	0.3
79.05495	3.6
81.03407	1.4
81.07032	0.6
83.04978	2.6
85.02895	1.0
91.05480	3.3
93.07030	0.5
94.04154	0.8
95.04976	11.6
99.04439	0.7
103.05436	0.6
105.03372	1.3
105.04509	0.6
107.04931	0.9
109.06541	2.4
111.04450	1.8
112.74252	0.3
113.72123	0.4
116.88111	0.3
117.25742	0.3
119.04951	2.1
121.06484	0.5
122.03619	1.2
123.04427	5.4
129.05496	2.1
133.02853	2.4
135.04393	1.3
137.05989	2.9
141.47476	0.3
147.04425	2.9
147.06575	0.6
149.05971	0.5
151.03918	15.2
153.05463	1.3
156.14128	0.3
163.03897	1.4
165.05486	100.0
166.05753	0.7
167.07028	0.8
174.04669	0.3
175.03911	3.3
179.07036	1.0
181.34995	0.3
183.06558	6.3
189.07625	0.8
193.04974	4.2
195.58525	0.3
203.03442	0.6
207.06560	1.5
225.07610	1.3
269.10367	0.6
291.64035	0.3
297.09686	0.6
339.10822	0.5
353.12445	0.7
371.13293	1.4
371.16968	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	371.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73935	1.1
53.03942	3.3
55.01859	2.0
55.05509	4.0
65.03930	2.2
67.05506	17.5
69.03436	13.5
69.07076	1.4
69.41686	7.9
69.42096	2.6
71.01366	7.5
71.04980	5.0
75.76476	1.0
77.03926	1.7
79.05479	5.3
81.07063	2.2
82.95220	1.1
83.04989	14.5
85.02905	9.4
91.05484	3.4
93.07051	4.8
94.01672	1.1
95.04974	72.3
95.08617	1.9
97.02872	3.6
98.21037	4.7
99.04455	2.1
103.05496	1.3
105.03403	2.7
105.07021	4.3
106.59363	1.1
107.04971	2.0
107.08600	10.7
109.06516	4.6
109.10142	6.1
111.04465	10.7
111.08065	1.9
119.04932	1.6
119.08542	2.7
121.06516	3.4
121.10166	4.6
123.04436	44.1
123.08096	2.2
127.03909	1.9
129.05487	7.5
133.10115	4.5
135.04462	1.3
135.08038	2.1
135.11687	3.4
137.05972	3.1
137.09660	6.2
139.68719	1.2
145.10129	2.6
147.11668	2.2
149.09625	2.8
151.03911	90.5
163.11209	8.6
165.05484	100.0
165.12799	1.7
173.09653	1.5
175.03944	5.8
175.14870	2.4
181.12370	1.9
183.06541	22.7
189.07721	1.8
191.10675	7.8
191.14307	8.8
193.04948	16.4
193.15816	2.0
209.11734	2.0
209.15379	2.6
211.16882	4.6
225.07588	2.7
269.10330	3.1
279.08688	5.7
293.35956	1.3
353.12338	1.5
371.16757	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20774	1.9
62.55910	1.9
69.03411	4.0
79.05493	9.2
81.03461	2.6
81.07040	2.2
85.02895	9.2
91.05486	8.5
94.04189	3.4
95.04991	4.7
103.05479	3.2
105.07050	6.8
107.04966	17.8
109.06541	2.7
115.05457	4.1
116.25436	1.9
119.04976	2.1
123.04429	5.8
123.08063	2.0
124.05273	3.0
128.06221	4.3
129.07014	9.0
131.04942	4.5
131.08568	6.8
132.05710	2.1
133.06505	6.4
137.05988	41.7
141.06989	3.3
144.05740	4.4
149.09575	3.0
151.11148	11.5
152.04683	3.0
156.05692	7.7
157.06537	4.2
159.08055	13.1
161.05965	9.0
165.12781	11.8
167.07050	100.0
172.05209	4.5
174.06706	3.6
175.07596	20.6
178.07820	3.5
179.07060	2.5
184.05167	2.5
187.07574	31.9
189.07140	3.7
189.09105	2.7
190.07823	2.9
191.07027	5.1
193.02693	1.9
199.07568	7.0
199.48860	2.0
201.09222	2.7
202.06140	3.3
202.07788	3.3
203.08604	7.1
206.07263	2.5
207.08101	2.3
209.15363	37.3
215.08714	4.3
217.08598	33.8
218.07239	7.0
219.08058	4.5
220.08707	2.6
221.09641	6.9
226.06451	3.8
231.08064	6.7
233.09674	7.7
234.06700	4.1
235.07562	8.1
239.07063	9.1
241.08577	5.7
246.06715	3.4
247.07515	3.3
247.09712	16.6
248.08200	2.6
249.09157	13.5
252.07750	3.8
261.09146	11.2
261.11566	2.3
262.06171	2.6
263.07098	5.4
269.08173	3.5
277.08609	8.6
278.09421	8.2
279.06409	3.0
281.08832	2.1
281.11694	11.7
285.07584	23.1
289.08600	5.8
291.10156	4.0
293.08643	2.3
293.11710	13.2
294.08987	3.6
300.09961	30.8
301.10666	8.7
306.08942	3.7
307.09772	4.4
309.11270	19.7
313.10654	4.7
321.11261	27.1
322.11911	3.8
326.11563	13.2
338.11456	4.5
341.13858	22.7
353.13803	40.6
371.14880	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27592	0.6
50.33725	0.6
53.03935	1.1
53.78992	0.6
65.03944	0.7
69.20599	6.8
69.21002	1.4
69.27104	0.7
78.04710	3.0
79.05495	6.2
84.86845	0.7
91.05490	4.3
94.04203	0.7
95.04990	1.3
98.20706	1.3
102.48285	0.6
102.56507	0.7
103.05483	2.4
105.07023	4.3
106.04168	2.2
107.04972	13.1
111.04441	1.1
115.05459	2.0
115.90676	0.7
117.06989	1.6
118.04180	1.2
119.08583	2.5
121.06519	2.1
122.03661	0.9
123.04462	5.2
124.05224	2.8
128.06271	3.7
129.07014	9.9
130.04184	0.8
131.04933	2.7
131.08542	1.1
132.05716	3.1
133.06511	4.0
137.05995	4.4
141.07008	0.8
143.06027	0.9
144.05719	2.2
145.06485	2.8
146.03778	0.7
147.08075	3.2
149.05911	1.1
151.03873	1.3
152.04744	2.8
153.05464	3.0
155.04889	1.3
155.06044	0.8
156.05673	1.5
157.06462	1.5
159.08063	7.3
160.05209	1.5
161.05995	10.1
167.07054	100.0
168.07436	0.7
169.06520	1.2
171.08133	0.8
172.05151	2.7
174.06731	0.7
175.07562	23.5
175.09024	1.4
176.04713	1.1
177.05434	2.3
177.09070	0.9
178.07678	1.7
179.07089	1.2
184.05159	0.9
187.07561	26.2
188.07980	0.8
189.09100	2.0
190.07799	1.2
191.07028	7.4
191.08545	1.7
193.10225	1.0
199.07564	6.9
201.09161	0.9
202.07739	2.8
203.08553	2.8
205.06592	1.4
206.07301	4.4
207.08116	1.4
209.08102	1.5
215.08627	0.9
217.06693	1.1
217.08614	4.1
218.07309	2.8
219.08081	3.0
220.08784	1.1
221.09642	4.5
223.07498	1.5
231.08083	3.1
232.08865	0.9
233.09454	1.7
234.06793	4.5
235.07608	2.7
236.08321	0.8
246.06671	1.2
247.07518	2.3
248.08286	1.3
249.09128	7.1
250.09821	1.2
251.07089	2.8
252.07939	0.7
253.08661	0.9
259.07495	1.1
261.09106	4.0
262.06158	0.9
263.07159	2.1
265.08575	2.0
266.09396	3.1
267.10422	1.1
272.17426	0.7
274.06134	0.9
276.07831	0.7
277.08585	5.2
278.09518	2.5
279.06680	1.1
279.09790	0.9
281.11725	10.9
285.07471	0.8
289.08511	3.5
290.09402	1.1
291.10153	1.6
293.11679	2.6
294.08887	2.2
295.09543	1.2
300.09976	1.2
306.08817	1.0
307.09613	0.9
309.11258	14.1
310.11914	1.4
311.09137	1.1
321.11197	7.4
322.12201	1.0
325.14478	1.6
326.11554	3.3
339.12482	1.0
341.13849	21.2
353.13858	7.7
371.14868	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	371.1492
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
53.03942	1.6
53.11653	1.1
69.21276	14.1
75.47953	1.4
78.04704	3.2
79.05481	5.2
81.07048	1.7
85.02891	1.5
91.05479	4.0
95.04987	2.6
95.08592	1.9
103.05462	1.8
105.07011	4.3
107.04948	10.2
107.08600	2.7
115.05460	3.0
119.08596	4.0
121.06508	3.2
123.03693	1.3
123.04396	7.5
124.05173	2.2
125.05980	1.5
128.06232	4.8
128.59566	1.2
129.07025	13.6
131.04945	1.9
131.08556	2.3
132.05711	4.2
133.06496	3.5
133.10132	4.1
137.05965	12.0
137.09619	1.6
141.06946	1.7
144.05728	2.4
145.06538	1.7
147.04500	1.7
147.08043	4.7
149.06006	1.6
151.03915	3.1
151.11240	4.2
152.04666	3.1
153.05458	3.1
155.04890	2.6
156.05730	6.4
157.06471	3.0
159.08005	8.3
160.05162	1.5
161.06006	6.8
165.05563	1.9
167.07053	100.0
172.05312	1.6
173.05940	1.5
173.34999	1.3
174.06772	2.3
175.07539	21.3
177.09039	2.0
178.07875	1.9
179.07080	1.7
184.05252	1.3
187.07556	28.3
189.07033	2.6
189.09131	2.3
190.07820	3.7
191.07016	6.6
191.08536	2.7
191.14319	5.1
193.06673	1.5
199.07573	4.5
202.06230	1.8
202.07886	1.4
203.08600	3.2
204.09393	1.4
205.06532	2.2
206.07306	4.4
207.07961	1.8
209.15411	5.1
217.06506	2.1
217.08559	15.6
218.07285	4.7
219.08058	7.6
221.09641	5.7
223.07593	2.1
231.08006	3.9
233.09579	4.1
234.06830	7.9
235.07545	4.0
236.08360	2.6
247.07509	5.6
248.08357	2.0
249.09088	10.5
250.09856	2.1
251.07011	4.6
251.10582	2.0
253.08685	2.8
260.08344	2.0
261.09122	4.9
262.06467	2.0
263.07034	5.3
264.07791	5.7
265.08490	2.7
266.09479	2.1
277.08630	5.4
278.09256	3.1
279.06686	1.8
279.10135	5.6
281.08542	1.7
281.11743	12.4
285.07547	4.1
289.08551	1.8
290.09265	1.5
293.07953	1.9
293.11475	1.6
294.08926	2.3
300.09915	5.2
306.08737	1.8
307.09558	6.3
308.10477	2.1
309.11252	17.6
311.09210	2.8
311.12772	3.8
321.11230	4.9
326.11465	6.8
339.12381	11.2
341.13837	32.0
353.13873	11.5
371.14902	18.1
376.22626	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06962	2.7
55.01866	2.8
66.26419	2.5
66.80134	2.9
71.27640	5.6
79.05498	9.9
91.05476	7.2
94.04194	4.2
103.05503	3.5
107.04951	19.5
121.67403	2.8
122.03659	11.3
128.06265	4.5
129.06993	13.7
131.04945	4.9
131.08572	12.4
137.05978	100.0
144.05750	9.5
145.06505	6.4
147.11702	3.4
151.03961	6.9
151.07581	8.3
156.05719	23.3
157.06483	8.2
158.07339	3.6
159.08081	22.2
161.05997	4.5
167.07076	47.3
169.06418	4.3
169.07736	4.2
172.05273	4.7
173.05992	3.8
174.06792	6.0
175.07527	13.9
177.05389	5.2
178.07784	5.2
181.06560	3.1
186.06952	2.9
187.07532	23.8
189.07074	3.1
189.09113	10.1
191.14302	6.7
201.09172	3.5
202.06230	6.8
202.07890	3.2
203.08588	9.0
205.06601	3.6
206.07317	5.9
207.08087	4.7
211.07642	3.7
215.08719	6.4
217.06563	5.7
217.08615	74.1
218.07286	12.8
219.08099	6.7
219.10112	4.6
221.09685	13.4
223.07570	4.5
224.04845	4.2
226.06358	6.7
229.08643	4.0
231.08090	10.1
233.05841	3.2
233.09497	15.3
234.06734	13.2
235.07568	10.9
238.10080	3.2
239.07076	12.1
241.08632	11.0
242.05836	7.1
246.06715	6.0
247.07433	8.3
247.09708	33.2
248.08221	4.6
249.09135	24.2
250.09824	4.2
251.07172	4.3
251.10292	3.1
252.07800	8.2
257.08136	7.9
260.08344	7.0
261.09152	27.8
262.06281	4.8
263.07059	9.6
263.10751	3.9
264.07822	3.5
266.09406	8.6
269.08105	9.7
271.05939	7.7
274.05838	3.0
275.07217	3.1
277.08652	23.5
278.09381	13.6
279.06586	5.7
279.09998	4.1
280.07510	5.4
281.11749	8.3
285.07617	52.6
286.93774	2.9
289.08594	11.7
291.10107	6.8
292.07260	3.3
293.08566	5.6
293.11716	23.0
294.08942	7.1
295.09814	4.3
298.08548	3.7
300.09940	62.9
301.10602	14.4
306.08911	6.7
307.09631	6.3
308.06680	4.3
309.11176	27.3
311.12650	3.6
313.10779	12.4
321.11212	37.1
323.09155	9.0
326.11499	21.0
338.11459	4.8
339.12299	7.0
341.13791	15.8
353.13864	75.3
371.14990	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.99778	3.4
69.21688	26.0
69.22102	9.6
74.75373	3.2
78.67413	2.8
79.05479	8.5
79.11464	3.0
91.05496	6.5
94.04173	3.1
96.11752	2.7
103.05437	3.8
105.64585	2.8
107.04968	16.9
109.06514	4.0
115.05450	6.3
117.07023	3.6
122.03632	8.3
124.05242	3.9
128.06209	4.8
129.06995	11.5
131.08589	10.8
135.41095	2.9
137.05989	100.0
141.06995	5.4
144.05725	5.5
145.06456	3.3
151.03889	3.8
156.05692	25.3
157.06465	5.8
158.07318	4.3
159.08061	20.7
167.07057	47.1
169.07674	3.6
169.81619	3.2
173.05850	3.8
174.06798	7.9
175.07550	11.7
177.05502	4.8
179.08609	3.0
181.06509	4.9
184.05322	4.2
186.06773	6.6
187.07562	25.4
189.07034	3.3
189.09123	8.3
190.07764	4.2
199.07506	3.1
202.06252	6.9
203.08528	9.6
204.07852	3.6
205.08481	4.7
205.10201	4.9
206.07297	6.2
207.08020	6.0
211.07526	6.0
214.56656	2.6
215.07008	6.0
215.18813	2.8
217.08609	71.3
218.07286	12.5
219.08029	8.2
219.09984	5.3
221.09653	7.8
223.07527	5.9
226.06213	6.7
231.08057	11.2
232.08870	5.7
233.09630	17.8
234.06737	14.8
235.07518	9.9
236.08165	3.1
238.10126	3.5
239.06992	20.0
240.07631	4.3
241.08620	12.2
246.06755	6.1
247.07388	7.3
247.09686	34.1
248.08218	5.8
249.09177	23.4
250.09839	3.0
251.07050	4.0
252.07814	8.2
256.03799	2.9
257.08154	6.9
260.08231	5.7
261.09195	24.8
262.06308	5.5
263.07031	13.7
263.10733	6.5
265.08508	4.7
266.09482	7.0
269.08167	10.0
271.06015	8.7
277.08652	25.3
278.06317	2.9
278.09412	15.1
279.06479	2.8
279.10077	3.7
280.07245	6.3
281.08572	3.3
281.11575	13.6
285.07571	62.7
286.08221	3.7
289.08536	8.9
291.06784	3.9
291.10013	4.7
293.08398	5.9
293.11749	18.9
294.08878	4.4
295.09683	4.8
298.08401	4.5
300.09924	74.4
301.10721	19.4
305.08029	3.6
306.08923	8.2
307.09631	7.1
309.11148	26.7
313.10782	13.5
320.09976	2.9
321.11240	35.4
322.11871	4.3
323.09122	10.5
326.11426	23.5
338.11465	7.1
341.13815	22.8
353.13864	64.4
371.14838	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	371.1491
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
51.02375	0.6
52.44018	0.4
53.03290	0.5
53.03945	2.1
55.01866	0.8
65.03948	0.6
67.05482	0.5
69.43024	1.4
69.43445	2.6
77.03931	0.8
78.04722	0.8
79.05489	2.8
81.03448	0.6
91.05487	7.3
93.03424	1.0
93.07054	9.6
95.04980	2.5
103.05480	7.3
105.04520	0.9
105.07049	2.3
106.04170	0.9
107.04951	4.6
109.06479	0.6
115.05464	0.8
117.06972	0.6
121.02873	1.4
121.06517	100.0
122.06827	1.2
123.04460	1.8
124.05199	0.9
128.06227	1.2
129.07014	2.9
131.04971	1.2
132.05698	0.8
133.06494	1.4
135.04448	0.6
137.06017	6.4
139.03922	1.3
144.05772	0.6
145.06488	0.5
147.08064	1.3
149.02333	1.3
151.03925	1.7
151.07561	1.3
152.04712	1.0
153.05482	0.6
156.05724	0.8
157.06490	0.8
159.08035	2.8
160.05196	0.7
161.05983	3.6
163.07556	0.7
165.05540	0.9
165.06996	0.6
167.03406	9.5
167.07057	30.8
171.08041	0.7
172.05211	1.2
175.07579	6.4
176.37637	0.4
177.05525	0.6
178.07787	1.0
179.06929	0.6
179.08508	0.6
181.08543	0.5
184.05365	0.5
187.07582	6.1
189.06931	0.6
189.08913	0.5
190.07790	0.5
191.07056	1.5
191.08582	0.6
195.07942	0.5
198.08531	0.5
199.07539	2.6
201.09155	1.5
202.07796	0.9
203.08549	1.3
206.07320	1.3
209.04504	1.6
209.15375	0.6
215.08748	0.9
217.08644	1.4
218.07362	1.3
219.08218	0.9
221.09621	1.7
229.08395	0.5
231.08104	1.0
232.08827	0.6
233.09665	1.0
234.06819	1.7
235.07532	1.0
237.09120	0.7
238.41859	0.5
240.07861	0.5
246.06757	0.6
247.07504	0.7
248.08278	0.6
249.09161	2.2
250.06195	0.5
251.07091	1.6
261.09119	1.0
262.06436	0.4
263.07123	0.9
265.08762	0.7
266.09323	0.9
267.10251	0.7
274.11554	0.5
277.08554	1.3
278.09360	0.8
281.11774	4.1
289.08716	1.3
293.08060	0.8
300.09991	0.9
307.09616	1.0
309.11279	3.9
310.11862	0.8
311.09384	1.1
321.11176	2.4
326.11252	0.9
329.10181	5.4
339.12433	0.5
341.13837	5.7
353.13956	2.1
371.10956	1.0
371.15256	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
50.68670	2.6
55.01871	4.9
61.02947	2.5
69.03429	4.1
69.61662	8.2
69.62067	6.4
73.40625	2.0
75.04476	3.0
79.05501	17.9
81.07071	2.8
81.24315	2.2
85.02901	4.9
85.22434	2.4
91.05482	28.0
93.03407	3.9
93.07054	6.1
94.04201	4.8
95.04945	5.8
97.02959	2.8
98.97558	2.4
103.05473	17.6
105.07051	16.6
106.04196	14.4
107.04955	18.5
109.06522	7.7
115.05463	8.0
116.06243	3.1
117.07027	4.8
119.04911	5.9
121.06531	23.1
122.03638	9.7
123.04431	4.2
124.05196	3.9
125.06010	4.0
128.06239	6.1
129.06995	15.5
131.04948	12.4
131.08626	12.2
132.05716	4.2
133.06477	9.2
134.03627	4.5
135.04430	5.4
135.08087	4.6
137.05981	100.0
139.07597	3.5
141.06995	5.2
143.04915	3.7
144.05705	10.6
145.06511	4.8
147.04430	8.9
147.08089	2.5
148.05226	3.6
149.05969	37.3
151.03889	3.4
151.07552	9.0
153.09088	6.4
156.05710	23.9
157.06450	9.0
158.07294	4.1
159.08055	24.3
160.05212	2.4
161.05914	15.0
162.06700	3.1
163.03870	3.1
163.07521	6.4
165.05495	4.3
165.09113	30.8
166.09865	7.1
167.07054	61.6
169.06487	5.5
172.05206	10.7
173.06009	5.1
174.06767	7.3
175.07500	17.6
176.08424	4.4
177.05489	19.5
177.09084	2.6
178.07845	4.7
179.07104	3.8
181.06479	3.4
181.08614	10.5
184.05272	3.3
186.06744	3.3
187.07561	34.8
189.06966	5.0
189.09094	10.1
190.07782	4.0
191.06961	6.6
193.08675	14.4
193.10138	3.3
197.06255	2.8
199.07594	3.4
201.09090	3.3
202.06213	11.3
202.07881	4.8
203.08594	9.9
205.06592	3.1
205.08499	3.9
206.07259	8.1
207.08160	6.0
207.10201	6.8
209.08083	18.3
211.07420	3.1
215.06976	4.5
215.08746	5.4
217.08598	80.7
218.07326	13.0
219.08083	8.3
219.10149	5.4
221.09619	10.1
223.07527	4.3
224.04704	2.7
225.05360	2.7
226.06320	2.5
229.08408	2.7
231.08072	14.9
232.08810	5.7
233.05869	3.9
233.09654	12.1
234.06686	13.5
235.07561	15.8
238.09871	6.1
239.06964	14.2
241.08607	17.0
242.05571	3.4
246.06755	5.1
247.07520	8.1
247.09702	23.1
248.08315	7.8
249.09094	36.3
250.06181	4.1
250.09807	3.6
251.06947	6.3
252.07953	5.7
257.08188	3.1
260.08319	8.5
261.09146	27.0
262.06351	5.5
262.09879	6.0
263.07040	17.2
263.10449	3.6
264.07761	4.2
265.08633	7.2
266.09299	6.0
267.10010	3.5
269.08118	6.4
271.06104	3.3
275.06970	3.3
275.10712	3.9
277.08673	25.7
278.09399	18.9
279.06595	6.5
279.10065	2.6
280.07260	4.7
281.11740	14.4
283.09781	3.3
285.07587	32.6
286.08182	2.8
289.08585	10.7
290.09354	2.4
291.06616	4.9
291.09930	4.8
292.07272	3.4
292.10742	3.7
293.07990	11.3
293.11710	21.2
294.09103	4.5
295.09595	7.5
298.08301	3.0
300.09918	40.9
301.10712	15.6
306.08871	10.9
307.09686	14.5
308.06729	3.3
309.11206	32.3
311.09122	6.3
313.10638	7.0
321.11197	42.9
322.11810	4.7
323.09161	8.0
325.10532	4.0
326.11508	24.6
338.11389	7.9
339.12286	97.4
340.12833	3.3
341.13913	29.6
344.07730	2.9
353.13861	96.5
371.14948	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91387	3.4
55.05504	4.5
56.96561	3.6
57.07074	3.9
67.05512	5.9
69.07084	6.3
69.94229	12.3
70.93697	3.1
71.08637	3.3
79.05496	13.7
81.07054	15.0
81.21742	3.0
91.05503	13.2
93.07048	15.3
95.04925	3.9
95.08624	20.2
98.21448	4.8
105.07028	8.6
107.04970	18.9
107.08595	22.9
109.10168	9.4
115.05492	4.6
119.08602	9.5
121.10160	12.5
122.03616	5.4
123.11767	6.0
128.06248	4.5
129.07033	13.4
131.08586	10.7
131.78308	3.1
133.10175	7.9
135.11655	7.4
137.05984	100.0
141.07039	3.6
144.05748	5.3
145.10110	4.1
147.11664	8.0
149.13239	9.2
151.07571	9.5
156.05713	21.5
156.06830	3.8
157.06500	6.9
159.04390	3.4
159.08038	16.4
161.05974	4.4
161.13240	3.8
163.14874	5.1
165.05585	5.1
167.07057	44.5
168.70480	3.8
171.41228	3.4
172.05222	4.3
174.06799	7.3
175.07613	6.3
177.05507	4.0
179.14334	5.2
187.07613	21.9
189.09053	4.9
189.16490	4.1
191.17995	6.1
202.06252	7.2
203.08662	5.0
203.18047	4.4
205.08548	7.2
207.08180	4.9
211.07669	4.1
215.07056	4.8
217.08598	65.7
218.07281	12.3
219.08000	6.0
219.10114	6.0
226.06317	4.9
231.08052	7.6
232.08951	4.3
233.09650	11.2
234.06699	8.2
235.07614	8.4
239.07043	17.7
241.08545	22.7
247.07507	6.2
247.09760	18.2
249.09123	14.0
250.09988	4.5
251.06876	4.7
252.07851	5.0
260.08316	5.8
261.09061	19.9
263.07089	11.1
265.08551	4.1
266.09464	6.6
269.08002	8.2
271.05878	3.9
277.08624	18.8
278.09396	9.7
279.06485	3.7
281.11716	7.7
285.07553	41.0
289.08630	8.6
293.08475	5.3
293.11810	16.5
294.08609	5.6
300.09949	43.8
301.10770	20.0
306.09070	7.1
307.09558	4.8
309.11282	18.5
313.10803	7.3
321.11221	34.5
322.12009	5.6
323.09155	9.5
326.11533	14.6
338.11703	4.6
341.13889	13.6
353.13889	46.4
371.14929	29.2
371.25183	5.8
371.29327	5.3
371.33234	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	(+)-Fargesin
Peak:m/z	Relative Intensity
53.03940	0.7
55.01856	0.3
57.03442	0.3
61.02923	0.3
64.25715	0.2
65.03923	0.2
66.04719	0.4
66.30106	0.2
67.00843	0.2
67.05490	0.3
69.03432	1.2
69.07063	0.4
69.75427	0.6
69.75828	1.0
79.05507	1.8
81.03409	1.1
81.07057	0.9
83.04977	0.4
85.02897	1.8
87.04473	0.3
91.05508	1.4
93.07047	1.0
94.04176	2.8
95.04958	1.5
95.08629	0.4
96.27555	0.3
97.02882	0.7
98.21025	0.7
105.07039	0.7
107.04949	0.8
107.08585	0.9
109.02879	0.5
109.06525	1.0
111.04406	0.4
115.05465	0.4
121.06529	1.2
121.10165	0.5
122.03658	7.8
123.04428	0.3
123.08101	0.4
127.03911	0.8
129.05502	0.4
129.06963	0.4
131.08554	0.4
132.10294	0.3
133.10176	0.3
135.08070	1.0
137.05986	100.0
138.06329	0.8
139.03888	0.3
139.07602	0.3
142.18633	0.3
143.04901	1.3
144.05704	0.4
145.04982	0.9
145.06456	0.6
145.10197	0.5
149.09676	0.4
151.03918	2.8
151.07555	10.8
155.07057	0.5
158.07263	1.4
159.08093	0.5
160.08890	0.4
163.11241	0.3
165.05484	12.4
165.12706	1.4
167.06909	0.4
167.10664	0.4
171.04483	0.2
171.66026	0.3
173.13203	0.3
174.06805	1.0
175.07545	0.6
179.14417	0.3
181.04977	0.9
186.06723	0.2
189.09116	4.1
191.10651	0.7
191.14305	3.1
193.05034	0.3
193.15935	0.3
203.07077	0.5
205.08595	0.7
209.15421	0.7
217.08568	1.3
219.10185	1.8
229.15898	0.3
265.08746	0.2
269.10559	0.2
341.13852	12.3
341.17993	0.6
353.13788	0.4
371.14914	29.6
371.20288	1.3
372.15085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Candidachalcone
Peak:m/z	Relative Intensity
53.03944	1.2
53.28580	0.3
55.01876	1.7
55.05527	0.3
57.03436	0.5
64.96740	0.3
65.03929	1.4
67.05511	2.1
69.03434	1.5
69.58673	2.2
71.01362	0.3
71.04988	1.3
72.74226	0.3
77.03942	0.4
79.05506	1.5
80.06272	0.4
81.03417	1.2
81.07088	0.6
82.79764	0.3
83.04982	0.4
85.02908	3.9
87.04476	0.3
90.04707	0.4
91.05456	2.3
93.03383	0.3
93.07045	0.8
95.01368	0.3
95.04978	2.3
95.08617	0.6
97.02892	1.3
105.03440	0.4
105.07018	1.0
106.04154	0.4
107.04964	4.4
107.08601	1.1
108.02084	2.4
108.05757	2.2
109.02882	1.1
109.06521	0.7
110.49767	0.3
111.04478	0.5
115.05455	1.0
117.07040	1.0
118.04072	0.3
119.04932	0.3
119.08575	0.7
121.06514	1.0
121.10114	0.5
122.03673	0.9
123.04425	0.5
123.08094	0.8
127.03900	1.3
131.04919	0.6
131.08580	0.5
132.05685	0.3
133.02864	0.6
133.10136	0.8
135.04405	2.4
135.08101	1.5
135.11754	0.4
136.01610	0.4
136.05197	3.8
137.05002	0.6
137.05997	8.5
139.07494	0.4
141.05461	2.0
143.04944	2.3
145.04967	1.4
145.10143	0.5
146.07210	0.6
147.08051	0.5
147.11728	0.4
149.06006	0.6
149.09662	1.2
151.03922	100.0
151.05014	8.5
151.07542	48.9
152.04250	0.5
152.07813	0.7
153.05469	0.5
158.07275	0.5
161.05994	0.5
163.03937	0.4
163.07611	0.4
163.11198	0.7
163.83698	0.3
165.05472	4.8
165.12775	2.8
167.07077	0.9
167.10675	3.3
175.07544	1.7
177.05507	0.5
177.09145	0.4
179.07106	0.6
187.84648	0.3
189.09164	0.7
191.07166	0.3
191.10742	0.9
191.14317	6.6
195.06552	0.7
201.09129	1.3
203.07001	0.9
203.10741	0.8
205.08597	1.4
207.10233	0.6
209.11681	0.6
209.15425	1.2
212.08299	0.6
217.08571	0.9
227.12892	0.4
229.08585	1.0
231.08029	0.6
249.09119	0.7
259.07584	0.5
261.09198	1.3
262.09750	0.5
265.12244	0.3
275.10660	0.8
277.08456	1.6
279.10132	0.6
283.09814	0.4
289.08643	1.4
290.09207	0.4
291.10239	1.3
292.10968	0.7
293.11801	0.7
294.12473	0.6
298.12018	1.8
303.10080	1.5
304.10974	2.1
305.08148	1.0
306.09097	0.5
311.12860	1.2
315.81100	0.3
320.10495	1.9
321.11258	0.8
323.12860	1.0
325.14340	2.4
335.12781	14.3
336.13162	0.4
341.13889	1.1
353.13794	10.1
371.15045	8.0
371.20615	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	371.1679
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
54.40859	0.3
65.52807	0.3
70.38107	1.1
81.07047	0.4
82.09072	0.3
85.02885	0.5
95.04979	0.4
95.19732	0.3
173.04245	0.5
185.36235	0.5
193.12083	0.4
197.50478	0.4
209.11517	0.6
223.72499	0.4
274.42828	0.4
276.60675	0.5
285.09482	2.1
367.73712	0.4
371.16797	100.0
372.17133	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1678
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
53.72374	0.3
53.88770	0.4
57.03418	0.3
57.96823	0.3
58.90434	0.4
67.05494	0.7
69.03414	1.1
69.04043	0.4
70.25790	0.4
70.81931	0.5
70.82244	0.7
71.89022	0.3
79.05486	0.9
83.04995	0.6
85.02909	0.4
91.05478	1.0
93.79749	0.4
94.04202	0.4
95.04974	2.7
96.46052	0.3
119.04963	0.4
121.68122	0.4
123.04429	1.4
129.05469	0.7
133.02870	0.5
137.05957	1.3
147.04440	1.3
149.56310	0.4
151.03905	4.5
165.05484	25.2
175.03947	0.9
183.06537	1.6
193.04948	0.9
203.05258	1.0
207.06422	0.4
285.09390	1.1
336.59064	0.4
371.16788	100.0
372.17068	1.6
377.21271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98200	0.3
54.57730	0.2
60.92257	0.3
71.25616	0.4
73.95995	0.2
83.24744	0.2
84.58841	0.2
84.78608	0.2
117.26640	0.2
191.10432	1.0
203.05339	1.3
209.11523	3.1
341.15817	0.4
371.16782	100.0
372.17236	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1678
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
69.33144	2.7
103.58979	0.3
128.16061	0.3
139.27838	0.3
147.82799	0.4
153.49829	0.3
185.73387	0.3
209.11522	1.0
222.14903	0.3
284.19705	0.3
371.16791	100.0
372.17117	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01841	1.7
55.05519	11.0
57.03429	4.0
57.07067	2.9
58.37814	1.6
58.65900	1.4
59.04984	2.1
61.62414	1.6
67.05517	25.3
69.03431	21.5
69.07077	11.8
71.00068	3.8
71.04982	5.7
76.11951	1.7
79.05490	16.8
81.03397	5.3
81.07066	20.8
82.08500	1.5
83.04988	17.2
83.08617	6.6
84.08113	2.1
85.02911	13.3
85.06533	2.7
91.05492	9.1
93.07055	18.3
95.04974	17.9
95.08045	2.6
95.08614	29.6
97.02281	3.1
97.02898	45.3
97.06511	2.7
99.04437	3.0
99.08095	2.2
101.02432	2.1
103.05480	12.9
104.05815	6.4
105.07034	15.5
107.04961	7.3
107.08600	42.9
109.02859	3.3
109.06513	12.5
109.10163	97.0
109.93490	2.0
111.04438	1.9
111.08078	7.5
115.03931	8.6
119.08591	45.0
120.09589	1.7
121.06536	12.5
121.10147	20.0
123.04414	6.2
123.08080	16.9
123.11735	10.3
127.03935	5.6
129.05481	2.4
131.04922	4.0
131.08571	2.6
132.05258	2.0
133.10143	32.5
135.08145	2.6
135.11710	100.0
137.06001	2.9
137.09628	23.4
138.10451	1.7
139.11188	2.0
143.03441	3.0
145.10139	3.7
147.11667	4.7
149.09599	3.4
149.13237	7.8
151.03911	22.0
151.07513	4.0
151.11214	11.5
151.14891	8.5
153.12787	2.2
161.04454	4.1
163.11186	12.8
165.05472	19.5
165.12743	2.8
165.16350	3.2
167.07034	5.5
167.10733	3.7
173.13194	2.1
175.14851	49.5
177.07530	1.9
178.08684	5.3
179.08983	3.6
182.26608	1.6
183.06563	3.8
187.07579	2.4
191.10672	13.1
191.14265	12.4
193.04929	2.6
193.15900	59.2
193.17671	3.7
208.06024	2.2
209.11729	3.6
209.15372	6.4
211.16960	64.2
230.86644	1.9
239.16403	9.5
246.73943	1.8
327.14215	5.0
371.12891	16.2
371.17435	10.5
371.20694	3.0
394.03506	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.2
67.05484	9.8
69.03431	6.4
69.07058	5.8
69.77172	21.4
69.77541	7.3
71.05000	28.5
75.48777	3.8
79.05455	4.8
81.07054	6.5
85.02896	8.7
85.06526	5.4
91.05480	5.5
93.07045	9.0
95.04967	14.9
95.08602	9.8
97.02876	4.6
97.06499	7.1
98.21491	4.6
105.07034	19.2
107.08591	14.2
109.06506	14.8
109.10190	18.6
111.01768	3.9
119.08590	13.3
121.06548	5.7
121.10158	24.6
123.08079	56.9
131.08575	22.1
133.10164	26.9
135.08066	12.5
135.11719	4.4
137.05984	10.4
137.09598	12.7
138.10419	3.9
145.10104	6.2
147.11720	7.6
149.13252	5.3
151.03883	9.0
151.07544	4.3
152.48962	3.4
165.05478	6.3
166.04968	4.1
173.13258	35.0
175.14752	9.6
186.54214	3.4
191.14331	100.0
193.15889	12.7
210.07600	13.9
211.16924	25.7
229.03455	3.6
372.14453	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	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03942	1.0
55.01873	1.3
55.05517	0.9
57.03429	1.6
61.02927	3.1
67.05489	1.6
69.03442	15.1
69.07070	1.8
69.41943	4.7
69.42358	2.1
71.04996	1.3
73.02933	2.0
81.03439	6.1
81.07063	3.4
83.04983	1.9
85.02914	30.3
87.04465	1.5
90.60889	0.9
91.03948	1.8
91.05476	1.2
93.07038	1.7
95.04956	3.9
95.08591	3.3
97.02899	8.9
99.04458	1.3
99.08075	1.1
105.07045	2.6
106.43410	0.9
107.08619	5.5
109.02885	2.7
109.06532	7.7
109.10155	2.1
119.08598	2.3
121.06500	0.9
121.10152	8.5
123.08089	4.0
123.11700	2.9
123.96146	0.9
127.03918	6.4
135.08080	1.4
137.06015	1.0
137.09631	8.4
137.13246	0.9
145.04955	6.8
147.11713	2.3
149.09595	4.9
149.13248	4.7
150.53914	0.9
151.09961	1.6
151.11203	34.3
165.12775	43.4
167.93538	0.8
191.14278	5.0
193.15916	3.2
209.15392	100.0
210.15672	1.3
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
69.03413	4.3
69.07071	2.4
70.89827	3.5
75.64440	1.5
79.05487	3.8
81.07052	6.7
85.02899	2.7
91.05491	3.7
91.09255	1.5
93.07081	2.0
105.07024	5.8
107.08611	13.4
109.06509	3.1
109.10168	5.7
117.07028	2.1
119.08577	2.1
121.10181	8.7
122.07272	3.3
131.08511	2.1
133.10136	100.0
134.10358	1.8
135.08075	8.8
135.11667	2.5
137.09625	54.7
147.11656	2.3
149.13266	10.3
163.14804	2.5
173.13255	3.1
177.89622	1.5
191.14322	34.6
209.15399	6.7
231.52556	1.8
353.15720	3.3
371.16730	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35441	3.9
52.70200	4.2
53.53905	3.8
61.54809	4.3
62.48040	3.8
67.05480	4.4
67.42110	3.9
69.03426	14.9
69.07050	8.9
71.04984	6.7
71.47562	8.8
79.05478	4.4
81.07055	15.7
83.04984	10.1
83.08600	6.5
84.90298	3.5
85.02895	12.5
88.31070	4.6
93.07056	3.7
95.08624	24.8
95.09171	3.9
97.06538	5.0
99.08111	5.5
105.07032	8.7
107.08607	30.6
109.06509	8.3
109.10138	16.8
119.08563	6.7
121.06494	5.8
121.10167	39.7
123.08086	4.2
123.11677	6.2
125.09624	13.7
131.08543	7.5
133.10117	14.0
135.08041	11.6
135.11685	6.0
137.09601	14.7
139.11217	7.7
143.20567	4.8
147.11700	10.1
149.09625	13.1
149.13303	24.9
151.11186	100.0
160.72249	4.3
163.14821	15.1
165.12738	9.1
165.42357	4.2
173.13260	20.0
186.29784	4.6
189.54247	3.9
191.14322	97.1
209.15384	76.5
371.14706	4.5
371.16589	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.9
69.03412	3.9
69.07059	3.4
71.28934	4.9
79.05476	2.5
81.07065	4.1
89.78743	2.3
91.05481	5.9
93.07067	4.6
105.07053	4.6
107.08615	15.8
109.06522	5.0
109.10184	5.3
117.40383	2.2
119.08572	2.8
121.06519	4.2
121.10158	9.9
122.07265	3.1
131.08601	2.6
133.10139	100.0
133.83452	2.4
135.08061	9.7
135.11656	2.9
137.09634	57.0
147.11699	8.2
149.13255	9.1
151.04053	2.5
163.14848	5.3
173.13292	6.8
191.14334	63.9
209.15402	7.5
371.16650	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	371.2069
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03939	3.0
53.95237	1.1
55.01865	3.4
55.05515	1.7
57.03426	4.7
57.51530	1.1
59.05007	1.5
61.02934	8.6
67.05505	1.8
69.03429	21.3
69.07072	8.2
69.91439	4.7
71.04985	3.9
73.02918	5.5
79.05496	3.5
81.03423	11.5
81.07056	3.1
83.05001	2.9
83.08616	1.7
85.02908	68.6
87.04480	5.6
91.03957	3.5
91.05485	4.2
93.07054	4.9
95.04968	12.5
95.08585	5.6
97.02899	22.7
97.06513	1.9
98.20865	2.4
98.21416	1.5
99.04455	5.8
105.07043	4.5
107.08595	6.6
109.02890	6.9
109.06529	6.0
109.10107	0.9
115.03914	1.1
117.07049	1.0
119.08578	4.2
121.06498	10.9
121.10142	2.6
121.28274	0.9
122.07285	2.7
123.08075	14.6
123.11711	1.0
127.03915	15.3
129.05516	1.2
131.08528	2.0
133.10141	6.1
135.08058	25.8
135.11707	2.9
137.05942	2.1
145.04959	29.1
145.10075	1.6
147.11690	3.8
149.09639	1.9
149.13300	2.0
151.03915	2.9
151.07607	1.1
161.09679	1.5
163.06044	3.6
163.14856	1.5
165.05547	1.2
165.12759	45.3
166.04999	6.2
166.13058	1.1
171.11755	1.2
173.05809	1.1
173.13300	2.6
175.14810	3.3
176.12038	4.8
176.13434	0.9
191.14314	100.0
192.14539	1.2
193.15895	5.9
199.25656	1.0
207.13914	1.9
209.15388	13.7
210.07629	16.8
252.08615	6.2
253.09726	1.2
300.09943	1.1
327.17892	1.5
330.13214	1.4
371.16623	3.3
371.20654	56.7
372.14371	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	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.07710	1.6
53.03956	1.2
55.01858	3.0
57.03424	1.6
61.02895	1.3
67.05475	1.2
69.03438	7.7
69.07066	13.6
69.79942	5.9
71.04990	1.2
73.02917	1.4
81.03426	2.2
81.07063	2.3
83.04957	1.6
85.02473	1.3
85.02924	10.6
91.05472	4.4
93.07047	11.0
94.11562	1.2
95.05000	1.5
95.08603	2.7
97.02883	3.5
97.06552	1.8
98.21417	1.9
99.04440	2.0
101.75240	1.2
105.07024	4.1
107.08587	12.4
109.02888	1.6
109.10172	2.3
111.08138	1.3
113.65389	1.2
119.08559	3.3
121.06507	14.3
121.10175	9.2
123.08061	2.0
127.03907	1.9
131.08566	2.9
133.10165	7.7
135.08055	5.8
135.11664	4.5
137.09601	2.1
141.92326	1.5
145.05019	1.4
145.10149	1.8
147.10512	1.7
147.11694	29.9
149.09630	5.0
149.13309	7.5
161.09637	3.5
163.14841	3.0
173.13263	9.0
191.14323	100.0
192.14673	1.7
209.15279	1.9
211.16901	2.2
222.34711	1.5
353.15659	1.7
371.16821	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01861	1.2
55.05497	0.7
57.03440	2.7
57.07079	0.6
59.04990	0.6
61.02942	3.4
65.03938	0.5
65.40259	0.6
67.05499	1.5
69.03078	0.7
69.03435	11.3
69.07065	1.6
70.69292	1.3
70.69624	0.6
71.04990	1.4
73.02911	1.0
79.05495	1.2
81.03426	8.2
81.07057	3.5
83.04967	2.0
83.08639	0.5
85.02914	30.9
86.99435	0.5
87.04453	0.9
91.03937	1.7
91.05475	1.6
93.07042	1.9
95.04975	3.0
95.08635	3.2
97.02908	8.1
98.09668	0.8
99.04441	1.8
99.08123	0.7
105.07046	2.6
107.08607	6.0
109.02873	2.7
109.06523	4.0
109.10161	1.9
119.08598	1.8
121.06518	1.7
121.10150	7.5
121.16479	0.5
123.01850	0.5
123.08086	5.0
123.11689	2.0
127.03934	6.2
131.08545	1.0
132.87871	0.5
133.10149	2.9
134.88338	0.5
135.08057	1.2
135.11684	0.8
135.15161	0.6
137.09645	6.8
137.13242	1.3
145.04976	8.2
145.10185	0.6
147.11671	1.7
149.09642	5.5
149.13283	4.8
151.11201	29.7
152.11433	0.8
158.10941	0.5
163.06068	0.8
165.05527	0.9
165.12772	39.9
173.13263	1.6
191.14304	6.5
193.15852	3.2
209.15379	100.0
210.15791	1.3
371.16925	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.4
64.57101	3.2
67.05500	6.8
69.03427	10.4
69.07065	7.3
69.13190	4.0
70.90362	9.4
71.05005	9.1
72.71529	3.8
77.83620	3.7
79.05476	5.2
81.03428	5.7
81.07056	5.9
83.04974	14.4
85.02909	17.2
85.83652	3.4
91.05471	6.5
93.07049	10.6
95.04979	4.9
95.08618	19.9
99.08073	7.3
105.07030	10.5
107.08601	32.6
109.06506	10.1
109.10161	14.9
110.03548	3.9
119.08617	4.4
119.44807	3.6
121.06494	4.8
121.10149	36.2
123.04449	5.1
125.09622	17.6
129.07019	4.6
131.08578	5.2
133.10159	9.5
135.08060	11.1
135.11679	4.8
137.05974	13.7
137.09615	8.8
147.11725	10.6
149.09622	8.2
149.13219	19.6
151.11209	100.0
156.05710	8.6
159.08145	3.7
161.05977	5.2
163.14799	13.9
165.12730	9.4
167.07065	31.8
173.13252	17.9
175.07515	8.2
187.07553	11.4
191.14302	88.7
209.15395	85.9
217.08562	7.8
249.09021	4.2
261.09097	4.2
274.97263	3.7
277.08539	5.2
285.07709	4.9
291.05682	3.9
300.10001	4.4
309.11536	7.3
309.15085	4.4
321.11102	6.3
341.13702	8.2
353.13858	9.1
371.15228	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01868	1.5
55.05515	9.5
57.03437	2.6
57.07073	1.4
59.05005	1.1
59.33283	0.8
61.02919	2.7
65.03951	1.2
67.05501	2.9
69.03434	9.0
69.07070	14.3
69.98117	4.4
71.04989	5.4
73.02929	1.4
77.03951	1.1
79.05494	9.4
81.03423	2.9
81.07066	7.2
83.08606	2.2
85.02908	20.4
87.04478	2.1
91.03972	0.9
91.05476	15.1
93.07050	41.4
93.66949	0.8
94.04200	1.0
95.04990	5.2
95.08611	17.7
97.02895	8.8
97.06554	2.3
99.04451	5.1
103.05490	1.8
105.07034	14.1
107.04971	4.2
107.08600	60.4
109.02879	2.9
109.06525	1.5
109.10155	4.9
115.03992	1.2
115.05474	1.6
117.03423	0.8
117.07034	2.0
119.06187	1.0
119.08603	12.4
119.49664	0.8
121.10146	46.8
122.03659	2.6
123.04405	1.7
123.08105	1.0
124.05188	1.0
124.60892	0.9
126.02360	1.0
127.03918	4.8
128.06230	2.0
128.25197	0.9
129.07048	4.1
130.07811	1.1
131.04959	2.2
131.08571	6.5
132.05678	1.3
133.06499	1.6
133.10135	14.3
135.08072	1.3
135.11731	1.0
137.05980	18.9
137.09653	1.1
141.07004	1.5
143.08521	2.4
144.05714	1.8
145.02852	0.9
145.04980	4.3
145.06517	0.9
145.10133	3.8
147.04488	1.2
147.11681	10.4
148.12453	3.7
149.05991	1.6
149.13264	100.0
150.13618	1.2
151.03888	1.4
151.07544	2.4
156.05739	4.2
157.06499	0.9
158.10942	6.4
159.08032	3.1
160.05267	1.1
161.05997	3.1
161.22203	0.9
163.03893	1.3
163.14812	2.7
165.12753	9.6
167.07062	15.3
172.05223	2.2
173.13272	39.4
175.07552	3.8
175.14915	1.2
177.05487	2.9
179.07079	1.3
186.06688	1.0
187.07545	12.1
189.09276	1.5
190.07829	1.2
191.07045	2.1
191.14311	52.2
193.08598	3.4
202.06230	1.4
202.07903	1.1
203.08647	1.3
205.08612	1.4
206.07191	1.4
207.08067	1.5
209.08070	1.2
209.15343	1.8
215.08704	1.8
217.08601	14.3
218.07275	1.9
221.09622	2.1
223.07587	1.3
226.06306	1.6
231.08006	1.6
232.08774	1.2
233.09595	2.9
234.06825	1.8
235.07489	2.2
239.07050	2.5
241.08636	1.3
246.06755	1.2
247.07506	2.2
247.09744	4.4
248.08357	2.5
249.09033	5.1
250.09752	1.3
261.09067	5.3
263.07043	3.6
263.10800	1.1
265.08475	1.3
266.09567	1.2
267.10031	1.0
269.08197	1.4
271.06085	1.6
277.08533	5.1
278.09396	3.0
279.06516	1.3
279.10040	1.4
280.07224	1.6
281.11786	3.5
285.07547	8.1
289.08609	1.5
290.09241	1.3
291.10028	1.3
293.11688	2.6
294.08890	2.1
294.12216	0.8
295.09702	2.0
299.05484	1.7
300.09882	10.0
301.10757	2.3
306.08725	1.5
307.09631	1.6
309.11295	6.9
311.12711	1.0
313.10712	1.5
321.11313	7.1
323.09262	2.0
326.11487	3.6
338.11908	1.5
339.12134	2.5
341.13846	5.4
353.13818	14.9
371.15488	9.1
371.20813	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
54.01685	1.1
54.24313	1.1
55.01874	2.8
55.05500	2.1
55.23468	1.3
56.96550	2.1
57.03433	2.2
57.41028	1.2
61.02920	4.2
65.03933	1.6
67.05498	4.2
69.03436	10.7
69.07045	1.6
71.05000	2.2
71.59264	1.7
71.59637	1.3
73.02904	1.5
78.04697	1.3
79.05502	7.8
81.03419	8.0
81.07060	5.8
83.04953	1.4
85.02911	27.6
87.00244	1.5
87.04480	1.7
90.54996	1.2
91.05475	10.4
93.07035	4.5
95.04982	5.0
95.08609	5.7
97.02887	8.9
97.06524	1.7
99.04443	2.7
103.05403	2.4
105.07024	6.2
107.04958	13.2
107.08574	6.7
109.02885	4.5
109.06514	6.7
109.10152	3.7
110.59004	1.1
111.04469	1.4
115.05444	3.0
117.03321	1.2
117.07040	2.1
119.04953	1.8
119.08582	2.9
121.06481	2.8
121.10141	10.8
122.03629	3.9
122.06039	3.5
122.07282	1.9
123.04429	4.8
123.08070	5.2
123.11736	3.5
124.07594	4.8
127.03927	6.0
128.06230	2.7
129.07007	8.9
131.04910	3.4
131.08574	4.7
133.06490	2.8
133.10118	3.3
135.04428	2.4
135.08034	1.9
135.11703	2.4
136.05280	1.4
137.05988	40.7
137.09633	5.8
141.06989	1.6
144.05707	3.4
145.04948	8.6
145.06496	3.6
147.08051	1.5
147.11682	2.4
149.09612	7.8
149.13269	4.7
151.03955	11.2
151.05028	2.4
151.07568	9.5
151.09970	1.6
151.11197	32.9
153.05460	4.0
156.05687	5.8
157.06497	2.9
158.07343	1.4
159.04314	1.4
159.08090	7.3
160.05174	2.3
161.05980	4.9
161.09578	1.2
163.03893	2.8
165.05464	2.9
165.06763	2.1
165.12755	42.0
167.07060	45.0
169.06439	2.9
172.05133	1.8
174.06775	3.1
175.07571	10.8
177.05507	5.0
177.09174	1.9
178.07706	1.6
179.07104	1.7
181.04984	3.9
181.06538	2.1
181.08588	1.8
187.07520	13.2
189.07100	1.6
189.09116	5.8
191.07025	3.3
191.08620	2.5
191.14310	8.4
193.15860	2.4
199.07603	2.8
201.09108	3.7
202.07816	2.2
203.08578	3.5
205.08630	2.4
206.07343	3.2
207.06476	2.5
207.08241	2.1
209.15379	100.0
210.15720	1.9
215.06911	1.8
215.08728	1.9
217.06557	2.2
217.08601	17.7
218.07295	3.8
219.08003	4.1
219.10100	2.3
221.09575	4.3
223.07458	1.6
231.08067	2.9
232.08820	2.7
233.09593	4.1
234.06775	3.6
235.07573	4.2
237.09178	2.4
239.07120	4.1
240.07785	4.9
241.08644	5.1
242.56403	1.4
246.06737	1.3
247.07487	3.1
247.09708	4.4
248.08472	1.9
249.09084	8.7
250.09799	1.8
251.07059	3.2
251.10638	1.4
252.07996	2.0
257.08112	3.3
259.07556	1.3
260.08350	3.0
261.09143	7.4
262.06335	1.4
263.07013	6.1
264.07828	2.1
265.08875	2.9
266.09396	4.0
267.10062	1.8
269.08063	2.6
273.58102	1.4
276.08060	1.4
277.08554	7.5
278.09412	5.4
279.06491	2.5
279.10202	2.9
280.07419	1.5
281.11725	6.1
285.07581	12.9
289.08514	3.3
291.06528	1.2
291.10330	2.3
293.08459	2.2
293.11710	7.1
295.09787	1.5
300.09918	24.3
301.10699	4.5
306.08844	3.5
307.09610	3.4
309.11148	14.7
313.10739	2.4
321.11227	11.3
322.11987	1.8
323.09134	2.4
323.53265	1.5
326.11505	5.6
334.60791	1.5
338.11646	2.8
339.12198	4.7
341.13779	20.3
353.13931	18.3
371.10791	2.2
371.15231	15.5
378.42896	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69863	5.9
53.03942	9.2
55.05502	16.8
56.87071	5.9
57.03426	7.2
57.07062	6.6
61.02943	9.3
61.77509	6.5
67.05506	24.5
69.03445	23.1
69.07077	14.2
69.60977	21.4
69.61391	25.4
71.05000	16.1
78.21671	6.0
79.05492	23.6
81.03414	18.1
81.07057	26.4
83.04982	18.7
85.02910	19.0
86.09718	73.4
91.05488	31.1
93.07063	46.9
95.04962	42.8
95.08605	26.8
97.02896	56.1
98.20845	11.4
98.21465	15.2
99.04480	13.0
105.07037	30.1
107.08605	100.0
109.06544	7.4
109.10182	71.7
111.08086	20.0
115.05461	7.9
117.07011	12.9
119.04945	7.8
119.08566	39.8
121.06516	29.9
121.10139	37.7
123.04476	9.5
123.08076	17.9
123.11720	18.3
127.03924	11.2
131.08569	19.5
133.10129	43.1
135.08072	25.8
135.11705	83.4
137.06009	35.8
137.09624	35.4
145.10139	19.0
146.07352	8.8
147.11662	10.3
149.05965	15.4
149.09613	18.7
149.13289	14.4
151.03920	28.5
151.07576	41.1
151.11212	8.9
151.14790	11.1
155.04922	15.0
161.05998	10.1
163.11235	45.8
165.05537	33.6
165.12816	8.1
167.05898	8.3
173.13261	10.8
175.07550	25.9
175.14809	47.7
177.09152	15.4
181.12202	9.6
187.07602	12.6
191.10725	43.7
191.14320	52.3
193.04788	8.2
193.15945	55.0
203.07045	79.7
203.08537	9.0
205.08572	16.9
207.08109	7.3
209.15352	18.2
211.16975	70.7
239.16510	8.3
247.07375	6.5
249.08951	8.0
250.09853	6.1
283.09814	11.5
290.17493	25.0
291.10220	7.8
292.10721	8.9
293.11755	12.6
294.12766	8.8
298.12024	11.4
308.18607	45.0
311.12607	7.1
323.12772	21.9
325.14407	22.6
336.18085	42.0
352.84573	6.6
353.13849	22.6
371.16745	49.7
371.20456	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	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.01865	3.8
55.05515	40.5
56.96558	5.9
57.03450	16.1
57.07062	6.3
61.74853	3.0
67.05510	100.0
69.03416	7.7
69.07075	53.5
71.04981	9.7
71.57987	5.1
79.05499	52.3
81.06581	5.1
81.07063	99.6
83.04987	7.3
83.08625	25.4
85.02898	6.3
85.06532	11.2
91.05464	24.3
93.07056	47.4
94.07381	2.8
95.04946	10.6
95.08614	85.9
97.06520	12.0
97.10188	14.2
98.97554	4.4
99.08078	4.2
101.06000	4.2
103.05454	20.8
104.05795	12.7
105.07033	14.5
107.04950	12.1
107.08620	25.2
109.06522	8.9
109.10168	58.1
111.08075	4.6
111.11736	3.5
112.07610	3.2
115.38150	3.7
117.07022	6.9
119.08581	12.5
121.06523	28.8
121.10156	26.8
122.03646	6.0
123.08076	5.6
123.11709	15.3
125.09640	3.1
129.05479	6.5
130.87372	2.7
131.04901	9.9
131.08554	8.3
132.05267	3.0
133.10136	16.6
135.11696	19.9
137.05984	66.7
137.09550	4.5
137.13248	4.8
139.11211	6.6
143.08566	4.1
145.10097	10.8
147.11697	11.8
149.05923	2.9
149.09520	3.9
149.13228	9.1
151.03917	7.1
151.07521	10.4
151.11209	3.9
157.10118	4.4
159.11728	6.2
161.13269	9.8
163.11229	3.3
163.14839	4.7
165.05505	14.2
173.11731	10.1
180.06509	8.8
181.06860	6.8
187.14865	4.7
189.09090	5.7
191.14311	7.1
209.15312	8.0
213.14641	4.0
229.14255	4.3
243.21025	7.9
247.10384	2.9
261.22177	18.1
279.23203	33.6
296.59125	2.9
312.21738	3.3
328.11716	2.7
329.12067	11.4
341.13831	8.4
353.26956	15.0
355.15521	3.0
371.12851	22.9
371.24860	3.8
371.28094	36.7
372.24152	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32954	3.4
53.03940	3.2
55.01875	3.7
55.05521	14.2
57.07073	15.5
67.05514	21.2
69.07070	23.2
71.08626	7.2
71.58567	2.9
71.58950	3.0
79.05496	15.4
81.07062	61.1
82.21784	2.8
83.05051	2.8
83.08610	11.1
85.06531	11.6
85.10164	5.0
91.05462	14.6
92.39585	3.0
93.07042	43.1
95.04933	3.5
95.08607	92.6
97.06546	5.5
97.10162	4.2
105.07021	21.7
107.08595	78.5
107.84978	2.6
109.10167	43.3
111.08083	24.5
111.11762	3.1
119.08578	29.9
121.06441	3.5
121.09322	5.2
121.10147	56.4
123.08220	3.2
123.11709	37.0
125.09621	6.8
129.05453	3.4
129.07018	3.6
131.08627	5.7
133.10175	21.9
135.07970	3.0
135.11702	33.7
137.05962	11.6
137.13254	24.7
139.11139	4.2
140.77165	2.9
145.10133	10.8
147.04459	6.3
147.11716	15.8
149.13249	29.2
151.03870	4.5
151.07523	6.0
151.11211	3.8
159.11707	7.8
161.13269	18.8
163.14841	28.5
165.12746	10.5
167.07103	3.9
167.14276	6.2
173.13284	5.7
175.14816	9.7
177.16333	4.8
179.14317	13.2
181.15941	5.9
184.05260	3.0
187.14810	3.3
189.16389	15.6
191.17944	59.8
201.16449	5.2
203.17941	19.3
205.19548	11.2
215.17921	4.2
217.08621	4.2
217.19566	22.1
243.21107	5.3
247.09477	3.7
257.22638	5.6
261.08902	2.9
268.26352	100.0
269.26581	3.1
271.02972	2.9
279.63718	3.2
353.13690	5.9
371.21292	3.6
371.25784	3.6
371.33090	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
56.96556	0.8
67.05480	0.5
69.76313	1.0
69.76730	0.5
71.04984	0.2
79.05457	0.3
81.07069	0.4
91.05489	0.9
93.07058	1.9
95.04956	0.4
98.20943	0.5
98.21480	0.3
103.05459	0.8
104.05007	0.4
105.04536	0.3
105.07041	0.5
107.08639	0.3
116.98646	0.3
119.08558	0.3
120.08125	0.6
121.05648	0.5
121.06514	8.1
121.10148	0.2
122.05995	0.8
122.06837	0.4
132.04465	0.3
133.08871	0.9
133.22925	0.2
134.06065	0.5
137.06012	0.4
150.05505	0.8
164.07074	17.5
177.77454	0.3
178.08638	6.2
190.95433	0.4
192.10202	100.0
193.10837	1.8
194.11740	0.8
208.13322	0.3
252.12148	0.6
296.75632	0.2
298.14423	6.4
317.87955	0.3
330.16748	0.4
331.15952	0.8
343.07928	0.4
348.25604	0.2
349.16855	0.9
372.18103	2.1
373.12665	0.5
392.63165	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20364	0.1
53.03948	0.2
55.05524	0.1
63.82373	0.1
67.05505	0.4
69.35671	0.6
69.36100	0.4
79.05502	0.1
81.07064	0.2
89.79620	0.1
91.05494	1.0
93.07064	1.1
95.04994	0.4
95.08619	0.2
97.38365	0.1
103.05499	0.7
104.04984	0.3
105.04498	0.1
110.06000	0.1
110.15874	0.1
118.06530	0.1
120.08110	0.5
121.06516	7.8
122.06068	0.4
132.04478	0.4
132.08090	0.2
133.08902	0.5
134.06017	0.4
137.05934	0.1
148.11206	0.2
150.05461	0.8
151.05864	0.1
162.05489	0.1
164.07083	17.3
165.07707	0.2
171.13776	0.1
176.10551	0.1
178.07060	0.2
178.08647	6.1
192.10208	100.0
193.10861	2.1
194.11784	0.6
197.06871	0.3
208.13339	0.3
210.07634	0.2
234.11340	0.3
239.50012	0.1
252.08601	0.2
252.12477	0.6
298.14417	5.9
324.31802	0.1
330.16861	0.4
339.70303	0.1
372.14346	0.4
372.18295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.9
63.51412	0.6
71.57331	1.0
71.95236	1.0
81.07032	0.8
86.09666	1.3
93.07031	0.7
95.08578	0.7
98.97549	1.3
103.05453	0.6
104.10755	0.8
110.97565	2.2
121.06525	0.8
121.10051	0.6
125.00008	0.7
126.06372	0.6
128.98582	2.7
136.93134	0.6
137.05989	1.3
138.52904	0.9
146.99641	1.8
153.02216	0.9
154.94199	1.1
167.03755	0.9
171.03285	1.7
183.03220	0.7
184.07300	1.0
185.04900	3.6
189.04280	0.8
192.10233	0.8
199.06409	5.3
201.66641	0.6
203.05975	2.9
217.07509	4.2
219.03314	1.2
222.07787	0.7
223.02780	1.8
223.06284	0.8
231.06908	1.1
231.08929	0.9
237.04312	2.7
239.09583	0.9
240.09941	0.8
249.08005	0.9
251.05591	0.7
253.11095	1.6
262.08734	0.9
267.09091	1.9
271.12262	1.1
278.63892	1.9
280.09750	3.5
285.09930	1.2
298.10776	0.7
307.15741	1.8
316.99475	1.1
317.17816	0.7
325.16663	0.7
331.15784	30.7
349.16876	100.0
350.17151	2.1
367.17969	2.5
372.18472	20.1
372.34872	0.9
373.02322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.2
51.02389	0.2
51.23344	0.2
53.03943	1.1
55.01876	0.6
59.15019	0.2
65.03928	1.4
66.04733	0.8
67.05515	1.6
68.99792	5.2
69.00169	0.3
69.03430	0.4
71.57770	0.2
74.83597	0.2
79.05502	4.9
81.03417	1.7
81.07059	4.1
81.07521	0.3
91.05492	3.4
93.03419	1.0
93.07032	0.3
94.04190	1.3
95.04966	1.8
97.06541	0.2
105.03394	0.4
106.22511	0.3
107.04970	2.3
109.02928	0.3
109.06532	3.6
115.05462	0.2
119.04919	1.1
121.02888	2.8
121.06504	0.4
121.10172	0.2
122.03652	5.7
123.04420	1.1
133.02884	0.3
135.04387	0.6
137.05984	62.0
138.06343	0.4
145.02879	0.4
145.06508	0.4
147.04369	0.9
149.02345	6.6
151.03925	0.7
151.07564	0.7
153.05519	0.3
157.06412	0.3
158.03676	0.5
161.05966	0.4
162.06815	0.2
163.03932	0.4
163.07567	0.3
165.05481	100.0
166.05853	0.8
167.03371	1.8
167.07057	2.6
173.05998	0.7
177.05447	0.8
177.06992	0.3
179.07095	0.3
181.04895	0.3
187.07504	0.4
189.05501	0.3
191.03413	2.0
191.07065	0.6
195.06531	0.3
201.05460	3.7
207.06544	0.2
209.04437	2.5
209.06163	0.3
215.07117	0.2
217.05049	0.3
219.06485	0.6
222.06749	0.4
233.08018	0.4
237.09085	0.3
250.06349	0.3
257.08093	0.4
265.08636	0.5
271.62341	0.2
277.08548	0.3
281.08057	0.4
285.07501	0.4
293.07974	0.5
307.09488	0.3
313.06927	0.3
325.10754	1.2
331.08115	2.1
355.11594	0.6
355.15451	0.3
373.09216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.1
55.01872	3.4
55.05510	5.6
56.80283	3.1
57.03429	10.4
58.99589	10.8
60.04516	14.9
65.03950	3.7
67.05515	2.8
68.05019	2.9
69.03454	3.3
71.04995	4.3
71.57268	2.8
74.00648	3.4
77.69141	2.7
79.05492	6.5
80.05009	9.3
81.07059	31.1
84.04504	7.5
86.06068	3.3
86.99059	6.8
88.03989	19.6
91.05491	11.9
93.07061	7.3
95.05013	4.2
95.08628	2.6
96.04495	6.7
97.87669	2.7
98.06052	3.4
99.08070	14.4
100.02200	7.7
103.05449	5.9
105.07068	3.8
106.05039	4.7
107.08627	7.6
108.04432	2.9
109.10138	3.0
114.03779	10.0
115.05476	3.0
117.07045	4.7
118.03249	5.6
119.04976	6.2
121.06519	26.2
122.03636	4.3
128.01671	12.6
135.08089	6.1
137.05997	57.2
139.05740	3.8
142.03223	43.6
143.05026	2.5
145.06461	5.0
146.02730	24.4
146.06041	6.8
147.04425	5.7
149.06007	6.4
150.06775	3.5
151.07481	4.6
156.01120	4.8
158.03676	5.8
160.98352	2.4
161.05991	6.4
163.07507	3.3
163.11243	4.5
164.03799	6.1
166.07602	2.7
167.07011	9.7
170.02747	5.5
173.05986	14.5
174.02217	24.9
175.03929	3.8
175.07625	4.5
176.07095	6.3
178.08618	13.8
186.03185	4.4
187.07547	3.6
189.05580	3.0
190.01646	3.5
192.03279	55.7
193.15834	3.4
195.08000	3.7
196.07863	4.2
201.05492	100.0
205.06532	6.2
206.07109	3.0
208.13069	2.8
211.05391	6.3
211.07291	3.6
219.06538	11.3
222.07532	19.3
222.09500	5.3
223.07227	8.9
233.05989	7.4
237.09108	5.3
239.07254	3.1
240.10533	7.1
250.06369	4.9
253.08614	3.2
257.05939	61.9
265.08679	8.2
283.10022	3.1
292.07190	4.3
293.08072	9.3
293.60477	3.3
305.08057	3.5
307.09613	11.9
308.46741	3.1
325.10730	35.3
355.11755	14.1
373.12964	4.8
374.15875	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	373.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.0
53.03942	1.3
55.05507	2.0
56.96553	1.6
59.46006	1.0
67.05510	3.7
69.03437	1.4
69.07072	5.4
69.92701	2.9
69.93105	2.9
79.05500	4.6
81.03432	1.2
81.07069	11.6
84.04519	1.2
84.96085	1.0
85.06538	4.2
86.09704	2.5
88.02792	1.2
89.03925	1.5
91.05482	12.3
93.07056	7.7
94.04167	2.3
95.05001	2.0
95.08620	6.3
98.97618	3.3
102.05573	1.1
103.05470	4.7
103.36497	1.0
105.07053	5.1
107.04942	2.5
107.08593	5.6
109.02854	1.2
109.06506	1.5
109.10168	4.9
115.05489	4.4
116.98650	1.2
117.03387	1.5
117.07014	4.0
119.04926	8.9
119.08577	3.9
121.06517	11.1
121.10169	2.8
122.03667	4.1
122.06857	4.6
123.11710	2.7
124.05204	2.3
125.06068	1.2
129.07042	1.5
130.04193	1.8
131.04936	2.9
133.02925	2.2
133.06503	1.3
133.10126	1.4
135.02603	1.0
135.04440	3.7
135.11748	2.1
137.05986	54.7
137.13290	2.1
138.06371	1.6
143.04935	3.3
145.02867	2.4
145.06477	6.6
145.10173	2.9
147.04385	7.0
147.11734	1.7
148.06119	1.5
149.02379	2.0
149.05974	4.5
149.13258	2.7
150.06789	4.3
151.03923	5.0
151.07541	5.3
151.11203	3.0
153.05510	1.6
158.03644	8.1
159.08241	1.2
159.11755	1.5
160.05254	2.2
161.06013	2.1
162.06744	1.3
163.03854	1.3
163.07610	1.4
164.01654	1.0
165.05502	18.5
165.12848	1.5
167.07065	9.3
173.06010	18.5
175.03932	4.0
175.07634	2.7
177.05508	6.4
177.06972	2.5
177.10300	1.5
177.38657	1.0
178.07831	1.1
179.07010	3.0
181.04993	3.4
181.06483	1.2
186.03156	5.4
189.09132	1.7
191.07027	1.5
201.05481	100.0
201.16479	1.8
202.05818	1.4
203.06955	1.5
203.10616	1.4
205.06529	6.6
206.07362	1.4
207.06433	1.4
207.08119	1.5
210.07646	2.9
211.07857	3.7
213.05382	1.4
219.06483	14.8
219.08182	1.4
222.06818	4.5
223.07526	1.5
231.06535	2.0
233.05972	6.6
234.06786	5.0
235.07681	2.2
237.09059	5.5
239.07237	1.1
247.07571	2.0
249.05377	2.7
249.09132	1.3
250.06195	6.2
251.07153	2.8
252.08304	1.2
253.08908	3.3
261.05408	2.2
262.06454	2.4
263.06998	1.9
264.07877	2.2
265.08627	14.0
266.09467	1.5
267.06564	1.7
277.08636	3.7
278.05783	4.2
279.10110	1.3
282.08847	1.5
283.09732	1.6
290.05728	2.0
292.07358	3.3
293.08084	12.4
294.08765	1.7
297.11273	4.2
299.08908	1.5
305.08066	3.3
305.11508	2.0
307.06036	1.9
307.09653	14.2
309.11395	1.6
310.08319	2.7
313.10828	1.2
319.26395	3.7
323.08939	2.3
325.10715	32.4
337.10645	5.1
337.14313	2.6
337.27332	4.3
343.11795	3.8
355.11768	10.4
355.15482	2.0
373.13022	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.1
55.01872	3.4
55.05510	5.6
56.80283	3.1
57.03429	10.4
58.99589	10.8
60.04516	14.9
65.03950	3.7
67.05515	2.8
68.05019	2.9
69.03454	3.3
71.04995	4.3
71.57268	2.8
74.00648	3.4
77.69141	2.7
79.05492	6.5
80.05009	9.3
81.07059	31.1
84.04504	7.5
86.06068	3.3
86.99059	6.8
88.03989	19.6
91.05491	11.9
93.07061	7.3
95.05013	4.2
95.08628	2.6
96.04495	6.7
97.87669	2.7
98.06052	3.4
99.08070	14.4
100.02200	7.7
103.05449	5.9
105.07068	3.8
106.05039	4.7
107.08627	7.6
108.04432	2.9
109.10138	3.0
114.03779	10.0
115.05476	3.0
117.07045	4.7
118.03249	5.6
119.04976	6.2
121.06519	26.2
122.03636	4.3
128.01671	12.6
135.08089	6.1
137.05997	57.2
139.05740	3.8
142.03223	43.6
143.05026	2.5
145.06461	5.0
146.02730	24.4
146.06041	6.8
147.04425	5.7
149.06007	6.4
150.06775	3.5
151.07481	4.6
156.01120	4.8
158.03676	5.8
160.98352	2.4
161.05991	6.4
163.07507	3.3
163.11243	4.5
164.03799	6.1
166.07602	2.7
167.07011	9.7
170.02747	5.5
173.05986	14.5
174.02217	24.9
175.03929	3.8
175.07625	4.5
176.07095	6.3
178.08618	13.8
186.03185	4.4
187.07547	3.6
189.05580	3.0
190.01646	3.5
192.03279	55.7
193.15834	3.4
195.08000	3.7
196.07863	4.2
201.05492	100.0
205.06532	6.2
206.07109	3.0
208.13069	2.8
211.05391	6.3
211.07291	3.6
219.06538	11.3
222.07532	19.3
222.09500	5.3
223.07227	8.9
233.05989	7.4
237.09108	5.3
239.07254	3.1
240.10533	7.1
250.06369	4.9
253.08614	3.2
257.05939	61.9
265.08679	8.2
283.10022	3.1
292.07190	4.3
293.08072	9.3
293.60477	3.3
305.08057	3.5
307.09613	11.9
308.46741	3.1
325.10730	35.3
355.11755	14.1
373.12964	4.8
374.15875	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	373.147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79511	0.4
56.61985	0.4
56.96560	1.0
68.53513	0.4
69.03410	1.0
69.85424	0.4
70.06593	0.5
70.98998	1.0
85.02911	2.9
89.03908	0.8
91.05441	0.6
97.02878	0.9
98.97598	1.4
100.36096	0.4
101.00895	0.9
107.04950	0.5
110.97578	0.6
113.32818	0.4
116.98640	0.5
117.03364	0.8
119.01977	0.5
122.03667	0.5
127.03965	0.6
128.98605	0.6
135.04427	0.9
137.05977	6.9
145.02881	0.5
145.04977	0.4
151.07611	0.7
163.03896	2.8
164.04279	0.6
167.07060	1.4
177.05473	0.6
193.08382	10.5
203.05283	11.6
211.09502	1.4
215.05687	1.0
219.01767	0.7
229.00069	0.6
237.02763	0.7
245.07060	0.6
245.98340	0.5
253.09216	1.9
255.00121	0.5
270.07233	0.6
271.10373	1.2
355.07428	0.5
373.14713	100.0
374.15002	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1648
Annotation	5-O-Methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
56.20861	4.4
72.63779	3.9
107.04988	4.9
116.94303	3.5
118.46896	3.7
122.03648	8.9
136.05222	4.4
137.05006	6.7
137.05998	100.0
145.06516	5.2
151.07549	43.3
157.06525	10.9
158.07231	9.1
158.61409	3.8
163.07632	3.6
163.26363	4.2
172.08842	9.2
174.06702	5.3
175.07573	14.9
180.89763	4.1
187.07544	9.0
188.08394	12.5
189.09140	18.0
196.42494	4.2
201.09126	65.9
203.08878	3.6
203.10645	19.1
213.09209	4.5
225.09288	4.9
227.07054	7.0
229.04979	5.4
231.08154	8.0
231.10213	24.6
233.09601	8.3
235.07526	5.9
239.06996	5.8
241.08510	19.8
246.10379	6.6
247.07640	7.3
254.09471	14.5
257.95956	4.8
261.09161	13.8
262.09824	12.4
263.10767	6.5
269.08051	10.4
270.08914	11.6
274.09900	5.5
275.06967	5.4
277.12317	7.3
279.10226	11.7
284.10458	53.0
285.11285	28.5
290.09665	5.1
291.10193	17.3
293.11707	13.0
294.12390	7.2
295.09711	6.8
297.11420	9.3
305.11761	36.3
306.12479	21.0
307.09631	8.3
310.11996	14.2
322.12009	9.1
325.14474	31.6
327.15805	5.3
337.14420	68.2
355.15430	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	6.8
66.54749	4.1
69.53501	13.0
69.53909	15.7
71.05004	6.2
78.34267	3.8
81.07045	4.2
89.03959	3.6
94.04197	5.5
98.21486	8.3
98.97608	6.1
103.05467	4.4
105.07014	4.4
115.05483	3.8
117.03329	4.1
122.03648	7.6
137.05991	100.0
140.26436	4.7
145.02873	14.9
149.06000	5.3
151.07532	36.5
157.06476	10.1
163.07602	5.9
172.08871	7.2
173.05957	4.5
175.07590	13.5
177.05493	18.4
177.09123	7.0
179.07005	6.0
187.07484	6.6
188.08337	13.4
189.09103	18.2
201.09102	49.1
203.10681	16.7
211.07556	4.8
213.09099	5.6
220.20030	4.4
225.09286	4.8
231.08116	8.0
231.10214	21.5
231.53696	4.2
233.09602	6.7
235.07306	4.9
241.08580	22.1
247.07524	8.9
254.09427	9.9
261.09174	8.7
262.09909	11.1
269.08173	10.4
270.08868	9.2
275.10721	4.4
277.12317	7.8
279.10199	10.9
284.10391	35.2
285.11270	19.0
290.09433	5.6
291.10229	16.7
293.11755	9.4
297.11111	9.6
305.11819	22.0
306.12524	20.8
307.09567	8.3
310.12018	17.5
313.50351	4.6
322.12109	7.4
325.14371	20.5
337.14291	50.5
350.31372	4.3
355.15488	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	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89256	0.5
53.03938	1.6
55.01861	1.8
55.96263	0.5
56.96548	0.8
57.03436	0.8
61.02927	0.8
65.03939	1.0
69.03436	5.0
69.07043	0.8
70.06250	0.7
70.06596	7.2
71.57520	0.6
71.57856	0.6
72.08160	1.5
73.02928	1.0
79.05508	3.1
81.03401	1.9
81.07066	0.8
84.08126	1.5
85.02435	0.9
85.02911	12.3
86.09706	3.6
91.03940	0.7
91.04960	0.9
91.05488	9.2
93.07045	1.5
95.04948	2.9
97.02882	3.2
98.97537	1.3
99.04452	1.4
103.05481	3.2
105.03426	0.9
105.07045	15.1
106.04163	0.6
107.04950	3.3
109.02891	0.9
109.06550	1.5
112.22431	0.5
115.03922	1.9
115.05458	3.5
116.98692	0.7
117.03417	1.0
118.04166	1.5
118.06886	0.8
119.04949	8.9
121.06493	2.5
123.04417	2.1
123.08059	1.0
127.03923	3.2
129.07037	0.8
129.10249	1.3
131.04953	1.6
131.08594	0.6
133.06506	14.6
134.03653	1.3
137.05002	1.0
137.05991	12.9
143.06004	0.8
145.02850	2.2
145.04968	1.2
145.06499	0.9
146.07318	0.6
147.04427	2.6
149.06003	4.5
151.03908	8.6
151.07536	4.7
153.05490	1.6
155.07056	0.7
161.05994	32.3
162.93190	0.7
163.03828	0.8
163.07523	0.8
165.05582	3.3
165.06818	0.9
166.05846	0.7
167.07112	4.2
168.07855	1.2
173.05954	1.7
175.07538	0.7
177.05469	4.1
179.07066	1.9
181.05031	3.1
181.06416	0.7
181.08524	1.1
187.07591	1.3
191.06996	0.8
193.04971	1.3
193.08627	12.9
193.12041	2.2
195.06467	0.6
195.13570	12.9
195.15216	0.8
196.07413	0.7
199.09505	0.6
199.18088	0.9
201.03716	17.4
201.05502	5.0
203.05270	5.9
203.07001	0.7
211.06113	0.7
211.09682	10.6
219.06500	1.3
221.05931	0.7
233.05989	0.8
253.08693	0.8
263.09323	0.6
265.08694	0.7
277.08777	0.9
307.09528	1.0
313.10901	0.8
323.09357	0.7
325.10635	1.8
337.14355	0.7
341.05276	1.4
349.32056	0.6
355.11761	0.9
373.18372	100.0
374.18814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71929	0.6
56.20536	0.6
61.09507	0.6
67.05496	1.0
69.03429	6.0
71.09030	1.1
71.09369	0.7
75.86508	0.6
84.08141	4.1
85.02897	1.9
85.06544	0.9
86.09704	1.6
91.05457	1.7
95.04980	3.0
97.02911	1.9
99.04453	2.1
103.05450	0.7
109.06507	0.9
113.02367	0.7
115.03938	5.3
117.07051	0.9
119.04993	0.9
121.06547	0.7
123.04452	2.5
125.02336	6.6
127.03981	1.6
129.10258	2.5
131.04976	0.9
135.08058	1.3
137.06004	8.6
141.05432	0.8
145.02917	1.4
145.06505	1.1
149.06070	1.1
151.03934	4.2
155.07059	2.8
161.05960	1.4
163.03960	0.8
165.05516	1.9
167.07011	0.7
173.06067	1.0
175.07530	0.7
177.05527	2.5
179.07147	0.9
179.17245	0.7
181.08617	1.2
193.05074	0.9
193.12079	1.9
195.13693	0.9
197.07883	0.9
199.09621	0.8
201.03821	1.2
201.05559	2.3
203.05284	7.1
211.06023	5.1
225.09177	0.9
225.11124	0.9
229.10750	0.7
251.09587	0.9
253.08664	1.0
255.68164	0.7
269.10547	0.7
311.21170	0.7
313.10767	0.8
355.11508	1.1
373.10892	6.5
373.14673	11.1
373.18451	100.0
373.28232	2.2
374.18912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62725	0.3
69.23331	2.7
70.06584	0.4
74.95632	0.3
81.07055	0.3
85.02924	0.3
91.05486	0.4
93.07063	0.3
98.20692	0.5
100.78809	0.3
104.42605	0.3
111.05655	0.3
121.06498	0.9
133.73950	0.3
137.06024	2.3
140.06732	0.3
151.03922	0.7
178.08653	0.5
193.12010	1.3
201.05516	0.8
203.05310	1.4
211.13072	2.1
222.07735	0.3
261.64676	0.3
288.85056	0.3
373.18350	100.0
374.18668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
70.90313	1.0
76.89952	0.6
78.34151	0.7
89.38393	0.6
93.07023	0.9
97.16199	0.8
118.61834	0.6
137.05988	2.8
203.05278	4.3
211.13028	1.0
373.18347	100.0
374.18924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08348	0.3
60.02526	0.3
60.75119	0.3
61.69221	0.3
62.42086	0.3
64.60547	0.3
69.03452	0.5
69.60530	0.8
69.60940	1.2
71.31476	0.3
85.02901	0.9
93.07069	0.4
97.02875	0.3
98.21407	0.4
98.97588	0.9
117.03442	0.4
129.34975	0.4
137.05983	1.3
140.24010	0.4
145.02972	0.4
147.04388	0.5
151.03966	0.6
177.05537	0.5
237.02859	0.4
373.18341	100.0
374.18713	1.3
389.14874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1836
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
52.43198	0.4
53.03951	0.4
71.07222	1.0
71.07556	0.5
72.41969	0.4
79.05482	0.8
81.07062	0.7
87.69176	0.4
91.05487	1.3
93.07058	1.5
95.04968	0.6
99.17005	0.4
105.07018	1.0
107.04963	0.5
107.08602	0.8
109.10165	0.5
121.06514	3.9
133.10124	0.5
135.11732	0.5
137.05986	3.0
147.11749	0.5
151.03897	1.2
151.07556	0.5
175.14801	0.7
178.08647	0.9
185.04199	1.4
193.12114	0.5
203.05318	3.9
211.12981	2.6
222.07552	0.5
373.18356	100.0
374.15771	1.3
374.19559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.0
67.05502	21.5
69.03437	6.4
69.07076	12.3
70.88713	10.3
74.11292	3.6
79.05490	5.5
81.07048	18.8
83.04979	12.6
83.08649	5.4
85.02900	6.5
85.06561	6.1
91.05488	5.6
93.07053	11.1
95.08627	32.7
99.08113	7.9
101.68195	3.6
102.06380	3.6
107.08609	24.8
109.06536	10.0
109.10168	100.0
116.48756	3.3
119.08587	34.2
121.10151	17.1
123.08099	14.4
123.11727	11.4
133.10170	19.3
135.04401	6.2
135.11697	84.7
136.40488	4.2
137.06017	12.5
137.09625	15.6
149.13309	6.2
151.11183	10.2
151.14853	14.5
175.14822	46.2
193.15903	47.0
201.05547	16.0
211.16960	97.8
313.11856	4.3
325.11066	5.4
349.77771	3.6
373.14044	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	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.8
65.03929	3.7
67.05518	19.0
69.03442	4.9
69.07064	12.1
70.86208	6.3
77.32571	3.1
79.05523	4.3
81.07055	23.1
83.04996	11.0
83.08620	5.1
85.02900	7.4
85.06561	3.9
91.05491	10.8
93.07049	7.6
95.08623	36.4
103.05499	3.5
105.07044	8.5
107.04938	3.6
107.08576	19.3
109.06528	9.5
109.10167	94.4
115.05381	3.3
119.04910	3.4
119.08604	26.2
121.06520	3.5
121.10159	12.2
123.04488	4.6
123.08074	13.9
123.11729	6.7
133.10153	20.7
135.11714	86.5
137.06007	32.6
137.09631	25.8
139.11111	4.7
145.06555	3.6
149.13255	7.6
151.11198	9.3
151.14825	10.6
153.12791	3.7
165.05566	16.5
165.16452	3.5
167.07042	21.6
175.07608	8.6
175.14853	40.4
177.05504	4.0
187.07574	3.8
192.96120	2.9
193.15923	52.1
201.05502	17.0
201.52701	2.9
211.16956	100.0
234.06830	3.6
279.95139	3.1
313.10455	3.3
325.10413	4.3
357.93283	3.1
373.13095	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	373.2224
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.45509	1.8
55.05502	2.5
57.03435	2.3
67.05502	6.7
69.03422	2.5
69.07079	3.3
69.21143	1.9
69.78407	4.4
69.78825	7.0
71.05005	2.9
73.60939	1.8
77.88117	1.9
81.07071	5.5
83.08625	3.7
85.02917	9.4
90.31284	2.1
91.05486	2.3
93.07057	4.0
95.08613	12.7
97.02866	3.1
107.08613	8.2
109.06529	3.8
109.10186	20.7
111.08092	12.0
111.41374	1.8
119.08599	12.2
121.10167	7.3
121.94354	1.9
123.08086	8.3
123.11750	5.6
133.10193	9.3
135.11693	14.7
137.09634	22.6
147.11647	2.3
149.13242	5.0
151.14844	2.9
165.12775	2.1
175.14847	19.3
185.16068	1.9
193.15907	15.8
211.16959	100.0
278.99976	1.9
318.99194	2.3
387.22595	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91034	2.8
55.05506	10.0
60.06064	3.6
67.05505	18.4
69.03424	8.6
69.07059	12.4
69.30984	5.8
69.31392	22.4
70.06638	3.2
70.62625	3.0
71.04985	4.5
79.05502	4.8
81.07078	17.9
81.07460	3.7
83.04974	10.2
83.08662	4.9
85.02888	5.0
85.06564	3.6
91.05477	10.2
93.07034	9.0
95.04948	4.0
95.08617	31.2
99.08079	4.9
103.05489	3.6
105.07056	6.4
107.04967	4.7
107.08595	16.8
109.06531	7.7
109.10164	89.5
119.08591	31.7
121.10132	12.7
123.08073	10.9
123.11681	8.6
131.04944	4.4
133.10156	22.8
135.11702	73.5
137.05995	36.4
137.09613	18.3
143.69991	3.1
147.01158	3.0
147.04457	5.4
149.13324	6.3
151.03870	4.2
151.11140	7.7
151.14819	11.2
160.21756	2.9
165.05489	15.7
167.07063	14.3
173.05989	4.9
175.07574	10.2
175.14841	41.9
176.08374	3.4
177.05545	4.5
180.07854	3.8
181.05052	3.8
187.07292	3.0
193.08536	3.7
193.15897	46.1
201.05464	12.1
211.16951	100.0
212.49101	3.4
217.08696	3.4
219.06427	3.1
235.07437	4.9
263.07117	3.7
325.10889	3.9
355.11557	5.6
373.12805	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	22.0
58.27546	7.0
67.05510	52.2
69.07072	24.3
69.64931	43.7
71.04996	16.7
79.05524	37.5
81.07059	100.0
83.08614	8.5
85.06545	35.2
91.05483	31.2
93.07055	90.2
93.44363	6.5
95.08615	97.1
105.07036	74.8
107.08598	77.9
109.10165	42.9
111.08114	12.3
111.28665	6.8
113.09669	14.3
119.08566	55.2
119.10465	8.7
121.06532	26.9
121.10157	69.8
123.11732	26.3
131.08588	12.5
133.10159	44.4
135.11757	40.2
137.05949	34.6
137.13235	6.8
145.10133	30.7
146.06023	15.2
147.11707	41.1
149.13281	26.2
151.11182	9.8
157.10074	9.6
159.11723	29.5
161.13240	46.2
163.14850	61.9
171.11694	10.1
173.13280	21.5
175.14827	28.9
178.08676	21.5
179.14276	14.4
187.14807	18.7
189.16368	17.3
203.17953	16.3
213.16434	10.6
215.17960	8.5
222.07578	24.0
227.17935	8.1
229.19522	13.0
231.21097	12.5
337.28754	19.5
355.29935	59.7
373.18073	9.2
373.31006	41.0
374.15866	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30470	0.6
53.03931	0.9
57.03435	1.3
61.02915	2.3
65.96550	0.7
69.03423	4.3
70.06593	2.4
70.97530	1.3
71.04990	0.8
73.02924	1.2
77.05624	0.7
81.03410	2.6
84.04491	1.1
85.02425	1.2
85.02912	15.6
86.09708	5.8
89.03915	3.9
91.03951	0.9
91.05495	1.4
96.08122	1.3
97.02893	4.7
98.20934	1.3
99.04453	2.0
107.04942	0.9
109.02887	1.2
112.07620	0.7
117.03384	14.3
121.06573	0.8
125.05985	0.7
127.03947	3.1
134.03656	1.9
134.06023	1.0
135.04399	1.5
137.05984	2.0
138.06290	0.7
145.02861	45.0
145.04939	3.6
147.04388	1.0
149.06010	6.5
151.03860	1.1
152.07085	9.9
159.87401	0.6
163.03934	4.1
177.05481	100.0
178.05826	0.7
180.08702	1.5
185.07162	0.6
194.08131	11.0
195.06544	48.0
203.13901	1.8
212.09192	1.2
234.12616	0.6
291.89035	0.7
291.93008	0.6
312.14142	0.7
320.27930	0.6
374.13962	1.1
374.18683	17.7
374.23303	3.7
394.04831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30470	0.6
53.03931	0.9
57.03435	1.3
61.02915	2.3
65.96550	0.7
69.03423	4.3
70.06593	2.4
70.97530	1.3
71.04990	0.8
73.02924	1.2
77.05624	0.7
81.03410	2.6
84.04491	1.1
85.02425	1.2
85.02912	15.6
86.09708	5.8
89.03915	3.9
91.03951	0.9
91.05495	1.4
96.08122	1.3
97.02893	4.7
98.20934	1.3
99.04453	2.0
107.04942	0.9
109.02887	1.2
112.07620	0.7
117.03384	14.3
121.06573	0.8
125.05985	0.7
127.03947	3.1
134.03656	1.9
134.06023	1.0
135.04399	1.5
137.05984	2.0
138.06290	0.7
145.02861	45.0
145.04939	3.6
147.04388	1.0
149.06010	6.5
151.03860	1.1
152.07085	9.9
159.87401	0.6
163.03934	4.1
177.05481	100.0
178.05826	0.7
180.08702	1.5
185.07162	0.6
194.08131	11.0
195.06544	48.0
203.13901	1.8
212.09192	1.2
234.12616	0.6
291.89035	0.7
291.93008	0.6
312.14142	0.7
320.27930	0.6
374.13962	1.1
374.18683	17.7
374.23303	3.7
394.04831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1598
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
53.03949	3.5
59.80555	0.6
61.41055	0.5
65.03930	0.6
69.38233	5.5
69.50915	0.6
91.05480	13.3
91.63071	0.6
92.04973	1.3
93.07050	15.0
95.04970	2.9
103.05469	13.9
105.04499	1.0
108.31208	0.6
117.05727	1.8
117.81459	0.7
118.06538	7.2
120.04482	1.0
121.06508	77.0
144.04456	10.9
146.06009	29.0
160.19005	0.6
162.05516	7.1
164.07045	0.8
172.03889	4.2
176.07076	19.9
177.05420	0.9
178.08641	66.3
190.04997	4.3
202.50998	0.7
204.06583	18.3
210.11295	2.4
222.07616	100.0
223.07851	0.6
236.09113	4.4
240.72614	0.6
247.99318	0.6
254.10246	1.6
257.32956	0.5
342.13455	1.4
374.16000	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25446	0.5
53.03942	2.6
55.05496	0.6
56.26456	0.5
56.96573	0.5
58.85204	0.4
62.49921	0.5
65.66414	0.4
70.00731	0.5
70.17881	1.1
70.18271	0.9
79.05473	0.6
81.03410	0.8
81.41001	0.5
84.04488	0.8
91.05480	8.3
93.07043	13.4
95.04969	1.9
95.08577	1.0
97.02892	0.8
103.05475	11.1
105.04520	0.5
105.07026	0.7
107.08567	0.5
117.05795	0.8
118.06554	2.2
120.08125	0.5
121.06509	100.0
122.06833	0.5
134.06033	1.7
137.06010	0.7
138.06314	0.6
144.04449	4.4
146.06015	10.4
151.06242	1.1
152.07086	2.2
162.05524	3.5
165.07837	1.4
166.08635	2.2
172.03972	1.5
176.07062	7.3
177.05545	0.6
178.08636	22.2
180.06558	24.0
190.05045	1.5
194.08134	13.5
204.06563	5.9
210.11353	0.6
211.18497	0.5
222.07617	48.1
223.08014	0.6
236.09227	1.5
238.10753	0.5
254.10255	2.7
282.92517	0.5
300.12289	5.0
342.13367	3.2
374.16061	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
54.35763	0.5
55.01870	1.0
55.05506	1.2
57.03451	0.8
65.03941	1.1
67.05513	5.6
69.07065	1.3
69.52563	1.5
69.52990	2.5
77.03925	0.8
79.05489	4.8
81.03428	0.9
81.07070	11.1
83.04983	2.1
84.71404	0.5
86.01392	0.5
91.05488	27.1
93.07054	22.9
95.04984	7.8
95.08615	2.1
97.16513	0.6
103.05449	3.6
105.07042	12.2
107.04958	3.9
107.08596	4.9
109.05787	1.0
109.06529	16.1
109.10172	2.5
111.08127	0.9
118.06564	0.9
119.04116	1.0
119.04956	17.9
119.08582	4.3
121.06516	32.2
121.10124	1.0
123.04446	17.7
123.08072	1.4
123.11710	1.5
131.08583	2.2
132.80699	0.6
133.06511	0.9
133.10141	19.1
134.06012	0.7
135.48650	0.7
136.07591	100.0
137.05997	1.6
137.07878	0.7
144.04457	0.7
146.06021	1.5
147.04414	8.4
147.11696	10.4
149.09645	1.7
150.05513	1.7
151.11195	68.5
153.29648	0.6
165.05492	29.1
165.06889	1.4
165.12727	1.7
166.05028	2.7
168.06631	4.1
171.25481	0.6
175.11218	2.6
176.07001	1.5
178.08647	11.6
182.08147	36.8
184.09724	0.6
192.10222	1.4
193.12309	4.4
194.08186	2.0
204.06636	0.9
204.13864	1.3
206.08093	1.1
210.14993	0.6
212.09233	2.0
212.89456	0.6
222.07664	3.4
222.14842	1.1
233.43492	0.7
236.09242	2.5
242.07169	0.6
254.10231	3.7
310.17957	4.9
328.19107	42.5
329.15738	0.6
329.19473	1.1
356.18640	4.9
374.15701	4.4
374.19904	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	374.1966
Annotation	(S)-Autumnaline
Peak:m/z	Relative Intensity
53.03946	1.1
55.01866	0.7
55.05510	1.6
65.03938	0.8
67.05506	3.9
69.07059	1.2
70.80878	1.2
71.04982	0.5
72.41092	0.4
73.74261	0.4
77.34430	0.4
79.05498	4.3
81.07065	8.4
83.04990	4.5
86.65510	0.4
91.05486	27.5
93.07047	13.6
95.04980	6.1
95.08613	2.3
97.06549	0.5
103.05482	2.7
105.07038	17.2
107.04956	3.3
107.08604	3.0
109.06528	9.4
109.10157	1.1
111.08086	5.0
116.75155	0.4
117.07014	0.8
118.06589	1.0
119.04098	0.9
119.04953	18.6
119.08576	6.0
121.06518	13.3
121.10150	1.2
123.04437	19.0
123.08081	1.3
123.11745	0.6
129.07008	1.2
131.08582	4.4
132.08101	0.8
133.06477	1.6
133.10139	17.7
136.07585	100.0
137.06004	0.9
137.07912	1.1
142.07808	0.5
144.04472	1.2
146.06017	1.2
147.04420	8.4
147.11694	12.0
148.34625	0.4
149.09633	1.6
149.13329	0.6
151.07585	3.5
151.11189	42.5
152.11604	0.5
154.28192	0.4
157.10095	0.7
160.07611	1.2
162.05557	1.2
165.05486	33.9
165.12769	1.1
175.11194	4.8
176.07095	1.3
178.08638	7.8
180.71010	0.4
182.08138	45.1
183.08365	0.5
190.08633	0.6
192.10234	3.4
193.12251	5.0
194.08116	0.9
204.06551	1.1
204.13878	0.8
206.08171	1.3
210.11346	0.6
218.08275	0.7
222.07616	4.9
222.14984	0.5
236.09155	3.8
240.33847	0.4
272.12833	0.7
310.18054	4.6
328.19095	25.7
329.19629	0.7
356.18585	5.4
374.15820	6.9
374.19714	15.6
375.20084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	1.1
56.96569	21.3
61.71369	0.6
62.14960	0.6
71.95264	5.1
72.96039	0.8
84.96030	2.2
91.05482	1.1
93.07046	1.3
97.96809	3.0
98.97577	1.5
103.05445	0.8
105.00141	0.8
110.97572	14.7
112.99155	0.8
115.97855	1.7
116.98592	0.7
119.01688	0.8
121.06528	6.1
124.99166	1.0
128.98608	11.9
130.64380	0.6
132.10182	1.4
137.02780	1.2
143.00166	1.6
144.04446	1.0
146.06023	2.1
146.99632	4.1
150.11288	0.8
152.00230	1.0
161.01213	2.0
171.03310	2.4
174.72215	0.7
175.02776	1.4
176.07024	1.7
178.08635	4.8
185.04865	1.9
189.04393	0.9
190.05023	0.9
197.04855	0.6
198.01744	0.6
201.76855	0.6
202.23979	0.6
203.05896	1.5
204.06668	1.8
205.07404	0.7
222.07626	8.6
229.09361	0.6
241.11050	1.4
252.10320	1.2
263.09464	5.0
264.10461	1.3
265.10999	0.8
270.11191	1.1
277.11090	0.8
281.10547	1.2
303.12766	1.8
313.14810	1.2
315.16302	49.0
331.15848	2.9
333.17383	100.0
334.13895	0.6
334.17743	2.0
349.35822	0.7
351.18427	31.0
356.18979	13.6
374.15884	4.7
374.20108	2.7
374.36353	3.9
396.01819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
54.55445	0.9
55.01872	1.6
55.05510	12.3
56.04825	0.9
56.05038	10.3
57.03449	1.4
57.07073	2.5
57.21399	0.9
59.05012	1.3
60.04531	10.1
65.03923	2.2
65.82375	0.9
67.05168	1.3
67.05507	17.5
69.03413	1.4
69.07054	4.1
69.81779	1.9
69.82192	3.9
71.05005	5.4
79.05487	8.5
81.03410	4.6
81.07059	66.9
82.06566	5.2
82.07396	1.2
82.84654	1.2
83.04987	10.9
85.06528	3.9
89.06041	1.2
89.75383	1.0
91.05493	5.1
92.05827	1.2
93.07058	5.5
95.04954	4.8
95.08609	12.3
97.10162	6.9
98.97598	1.6
99.08124	1.0
100.07624	18.8
101.06024	14.6
103.05461	1.3
105.07018	2.8
107.04972	3.2
107.08562	3.5
109.06532	2.9
109.10149	2.7
110.06838	1.4
111.04443	1.3
111.08067	1.5
117.03413	1.0
119.04900	2.4
121.06521	1.5
121.10153	1.6
122.03635	1.8
122.10522	1.9
123.11710	34.1
129.05457	4.4
133.10109	4.1
135.04373	1.5
137.05003	2.0
137.05984	22.5
138.06328	10.3
141.12811	1.2
142.08643	46.3
145.06448	1.4
146.08128	70.2
151.03920	9.4
151.05029	1.9
151.11159	5.7
153.05484	1.7
161.05873	1.1
165.05513	11.7
166.05835	7.1
167.03419	1.1
167.07036	4.4
168.07410	3.0
169.12241	11.5
170.08119	1.6
175.07510	1.3
175.15892	1.1
177.05447	2.4
187.13316	6.5
188.09190	100.0
201.05420	2.7
202.05795	3.6
203.07057	1.7
205.08653	1.4
206.10225	3.5
222.07628	1.6
235.07341	1.2
236.07837	1.0
252.07516	1.3
268.09488	1.2
278.09070	1.2
280.06982	1.4
294.08417	1.6
308.09906	1.6
326.11096	2.0
328.12482	1.3
329.13742	1.5
356.11905	3.5
356.20572	10.6
357.13452	1.8
374.12549	5.0
374.23215	3.0
375.14105	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94043	0.3
62.45925	0.3
65.03941	0.5
70.15388	0.9
70.15778	0.5
79.05483	0.6
91.05486	49.0
92.05811	0.7
93.07031	0.6
96.05110	0.3
103.05450	0.6
105.07040	2.4
106.06558	1.9
107.08595	1.0
109.10162	1.1
115.05400	0.4
117.07034	1.3
119.08590	17.4
121.10151	1.3
122.07322	0.6
129.07016	0.4
131.08559	0.7
133.06506	0.6
133.10133	4.7
134.10933	1.6
135.08072	7.0
136.08791	0.9
137.06015	0.9
137.09624	18.4
138.06323	0.5
144.09355	0.5
147.09172	1.6
149.09627	2.4
149.12169	0.6
149.13266	6.8
159.11742	0.8
161.09630	6.0
161.10837	0.2
162.10423	0.4
177.12758	100.0
178.13091	1.1
181.10144	4.0
182.33571	0.3
196.11217	1.0
198.12790	45.2
199.13159	0.5
219.29608	0.3
257.10251	0.3
365.28641	0.3
374.24799	28.9
375.25204	1.0
394.22052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69988	0.4
57.07082	7.0
58.06597	1.7
68.05020	0.7
70.06595	13.4
71.08642	2.5
72.08175	0.5
82.45567	0.4
83.08645	0.4
85.10189	1.5
86.09702	0.5
88.07638	21.4
91.05492	1.2
92.05047	0.4
93.07042	2.0
102.09185	12.1
103.05454	1.5
105.56173	0.4
113.36203	0.5
118.06567	0.8
121.06506	8.0
132.10243	0.6
144.04384	0.9
146.06032	2.5
146.11829	1.0
150.11266	0.8
157.01620	0.4
162.05644	0.4
167.20724	0.4
176.07068	2.0
178.08669	6.0
179.09026	0.5
187.85185	0.4
194.76497	0.4
204.06589	1.8
222.07619	7.9
236.09242	0.4
268.30109	0.8
277.13766	1.5
277.63782	0.4
312.32617	44.2
313.33057	0.5
318.53207	0.5
356.35352	2.7
370.10617	0.5
372.77667	0.4
374.15982	6.3
374.26730	3.0
374.36304	100.0
375.36597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1441
Annotation	Hydroxymatairesinol
Peak:m/z	Relative Intensity
53.03948	1.1
56.96564	0.9
57.38067	0.7
61.02937	0.9
65.03949	0.9
66.40397	0.7
67.05511	0.9
69.01820	0.6
69.03421	2.0
70.06580	0.7
70.81829	1.4
72.08157	1.1
73.02903	1.2
79.05489	2.0
81.07053	1.6
83.04998	1.0
85.02895	3.1
85.32894	0.7
86.09696	2.0
91.05478	6.3
93.03378	0.7
93.07064	0.7
94.04174	2.2
95.04953	1.4
97.02897	1.7
98.97599	4.8
100.31889	0.8
101.48175	0.7
103.05485	2.6
105.07029	1.5
107.04937	2.2
109.06516	1.4
110.34411	0.7
110.97696	0.7
111.04433	1.6
115.05476	1.7
116.98627	0.7
117.03395	0.8
119.04913	3.3
119.08592	1.0
121.02866	1.2
121.06497	6.1
122.03655	5.7
123.04436	1.1
125.05998	1.0
127.03902	1.9
128.98615	0.9
130.04111	0.8
131.04933	4.0
132.05722	0.7
133.02866	1.7
135.04440	1.5
135.08098	0.9
137.05986	100.0
138.06375	1.3
145.02812	0.9
145.06471	1.5
147.04376	4.9
147.08040	2.1
149.05984	4.5
150.06815	0.9
151.03986	1.6
151.07576	1.8
153.05475	2.0
158.99666	1.5
159.04417	0.9
160.05193	2.0
161.05984	28.2
161.75691	0.9
162.06767	2.5
163.03906	2.2
163.07594	1.9
165.05563	1.7
165.06956	1.2
167.07068	3.1
172.05186	1.8
175.07559	8.8
176.04712	1.2
177.05498	3.0
179.04703	1.0
179.07069	1.2
179.08565	0.8
181.06522	0.9
183.06589	2.0
188.04715	1.7
191.07025	4.7
193.06421	0.9
195.06500	1.8
203.07048	23.4
205.06609	1.1
206.07460	0.9
207.08115	1.4
210.06709	1.1
213.07521	1.0
217.06580	0.9
219.01881	1.1
219.08182	1.0
221.06075	1.4
221.08063	13.8
225.09132	1.7
233.08078	1.8
233.57166	0.9
234.06740	1.2
235.07350	0.9
237.02826	1.4
237.09154	1.2
239.10713	1.0
247.07359	1.1
249.09134	1.0
253.08659	2.7
265.08701	2.0
267.10120	2.0
277.08588	3.1
279.10156	0.8
285.11285	3.3
294.08801	1.0
297.11261	3.6
306.60449	0.9
309.11169	4.2
312.41180	0.8
313.51395	0.8
325.10681	0.9
327.12576	1.1
329.10538	1.7
343.11813	3.9
345.13324	3.9
357.08908	0.8
357.13345	1.4
364.96616	0.8
375.15942	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	375.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
53.93570	0.7
55.01872	0.9
56.96568	2.2
61.02910	0.7
65.03933	1.4
69.03425	2.4
71.52825	1.2
72.08151	1.2
73.02917	1.3
75.43038	0.7
77.11991	0.7
79.05486	2.0
81.03408	1.2
81.07064	0.9
84.08153	1.1
85.02902	2.2
86.09679	1.2
91.05491	8.5
93.03413	1.2
93.07050	2.9
94.04180	3.0
95.04968	1.5
97.02879	1.8
98.97598	8.0
103.05453	3.8
105.07011	1.4
107.04961	1.9
109.06499	1.7
110.97556	1.7
115.05444	1.5
116.98611	1.8
117.06998	1.0
119.04961	4.8
119.08646	1.2
121.06519	17.2
122.03653	6.2
122.06827	1.0
124.05264	0.8
125.06020	1.0
128.98639	1.2
131.04941	3.4
133.02933	1.7
133.06425	0.8
135.04424	1.9
137.05989	100.0
145.06517	1.1
147.04442	6.7
147.08047	1.6
149.05988	4.7
150.06685	0.9
151.03899	2.1
151.07512	2.0
153.05466	2.1
158.50270	0.8
158.99637	1.9
159.04503	1.2
160.05194	2.8
161.05995	28.7
162.06755	2.4
163.03928	2.4
163.07545	2.0
165.05505	0.8
165.06944	1.7
167.07118	1.7
168.05446	1.4
168.81929	0.8
170.04089	1.3
172.05183	2.4
175.06483	0.8
175.07600	8.3
177.05533	1.9
179.04684	2.1
179.07045	2.0
179.08527	1.1
180.07817	1.1
181.06543	1.0
183.06575	1.9
191.07037	5.1
191.08528	1.1
193.06516	1.9
194.07385	1.0
195.06465	2.0
201.00648	0.9
203.07050	22.0
204.14349	1.0
205.06439	0.8
207.08064	1.4
211.07689	1.0
213.11250	1.2
219.01765	2.2
221.05989	2.5
221.08067	15.7
223.07407	1.3
225.06999	6.7
225.09105	1.9
229.08694	0.8
234.07043	0.9
237.02791	2.5
237.09102	2.0
239.07138	0.9
245.17111	0.9
249.09212	1.6
251.06985	1.1
252.07848	1.0
253.08569	2.8
254.62321	0.8
263.07309	0.8
265.08722	4.0
267.10141	1.9
270.08719	1.0
273.06729	0.8
277.08514	1.9
285.11197	2.4
294.09003	1.3
295.09497	1.2
297.11212	3.2
299.13095	0.9
309.11237	3.6
310.11859	1.0
325.11032	1.6
327.09595	1.7
339.07532	6.2
342.10522	1.4
343.11847	5.0
345.13248	2.7
357.04889	0.8
357.08661	4.2
357.12625	0.8
362.34070	0.9
365.87131	0.9
375.11954	1.4
375.16345	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1441
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03952	0.6
55.01867	1.8
59.13961	0.6
59.66536	0.6
65.03941	1.9
67.05492	2.6
69.84914	3.3
77.03907	0.9
79.05490	1.0
81.03419	7.4
81.07050	1.2
88.34641	0.7
91.05486	2.2
93.03408	1.4
93.07058	1.1
94.04219	1.1
95.04974	1.1
103.05466	0.6
105.07029	1.3
107.08639	0.8
108.02111	2.8
109.06521	1.4
111.04415	1.3
114.04368	0.6
115.05457	2.1
117.07071	1.2
119.08615	0.8
121.06496	0.9
122.03651	2.4
125.06012	1.6
128.06226	2.6
129.07014	7.9
131.04955	1.3
133.23067	0.7
137.05988	44.0
138.06421	0.7
141.05481	2.7
143.04933	3.7
145.06503	1.9
146.03653	0.9
147.08054	1.7
149.05995	0.8
151.03920	100.0
151.05023	9.3
152.04346	0.7
153.05492	3.2
157.06505	9.7
160.05186	1.5
161.05983	2.1
161.09644	1.3
165.05525	2.2
167.07060	1.1
171.04443	4.1
174.06790	1.1
175.07541	5.1
187.07652	1.0
188.04773	1.1
189.07401	1.1
189.09096	8.3
191.07019	6.5
191.08411	0.8
198.50433	0.6
198.60269	0.6
203.07050	20.4
205.08635	4.6
208.49011	0.8
215.07156	1.3
219.08086	1.4
221.08084	6.9
233.08026	5.2
235.07681	0.8
243.06467	0.9
246.06798	0.7
247.07544	1.1
249.09099	0.9
264.07764	0.9
265.08578	0.7
269.08234	0.8
277.08649	0.9
279.10242	2.2
286.08350	2.4
289.08575	1.0
295.09781	2.5
296.10413	0.9
297.11154	0.8
306.09052	0.9
307.09653	4.3
309.11185	1.4
311.12854	1.3
321.11368	4.4
327.12305	11.1
339.12244	8.2
345.13477	1.4
357.13351	8.4
375.14502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.144
Annotation	Vladinol D
Peak:m/z	Relative Intensity
51.02372	0.5
52.83640	0.5
53.03951	0.9
55.01864	1.9
60.80802	0.4
60.88818	0.4
65.03933	2.0
67.05504	2.5
69.03429	1.4
70.73357	0.9
79.05498	0.8
81.03423	8.2
81.07069	0.6
83.45515	0.4
85.02887	1.8
91.05491	3.9
92.05805	1.6
93.03416	1.6
93.07038	2.9
94.04204	1.3
94.07413	1.0
95.04967	1.5
95.08626	1.3
97.02899	0.6
98.21164	0.6
101.02395	0.7
103.05443	1.3
105.01865	0.5
105.04505	0.5
105.07057	0.5
107.04962	0.9
108.02065	2.9
109.02862	0.6
109.06516	1.6
109.10154	1.3
111.04434	0.7
112.01612	0.7
115.05452	3.1
117.07030	1.1
119.08603	4.6
121.06512	5.0
122.03660	2.5
122.06858	2.1
123.04457	0.6
125.06015	1.3
128.06200	2.7
129.07008	8.2
131.04895	1.8
132.08043	0.6
133.10117	0.6
135.04419	0.5
137.05986	40.3
137.09605	3.5
137.10536	0.7
141.05487	1.9
143.04961	3.1
145.06512	1.2
146.03595	0.5
147.08031	2.7
149.06042	0.6
151.03922	100.0
151.05029	9.6
152.04295	0.8
153.05472	3.1
155.06071	0.5
157.06503	9.2
159.04486	0.5
160.05226	1.9
160.07626	0.6
161.06017	2.1
161.08064	0.5
161.09630	1.2
163.03870	0.5
163.07529	0.8
165.05530	2.1
165.09126	0.6
171.04439	3.3
174.06793	1.1
175.07579	5.7
176.04718	0.6
176.07184	0.6
177.09148	1.0
177.18732	0.5
187.07613	1.3
188.04723	0.6
189.05490	0.7
189.09125	9.6
191.07076	6.1
191.08739	0.9
192.10229	2.0
193.10527	2.3
201.11229	5.7
203.07042	19.7
205.06755	0.8
205.08595	5.4
210.11159	0.6
215.07158	1.1
219.08241	1.2
221.08095	6.6
222.07451	0.5
223.07909	0.7
233.08121	4.7
234.06912	0.7
235.07506	1.0
236.09203	2.5
237.09506	3.1
242.11958	0.6
243.06581	1.1
246.06859	0.5
247.07588	1.1
249.09123	0.7
260.09055	1.0
261.09265	1.0
263.07080	0.8
264.07755	0.8
265.08640	0.5
267.10211	0.7
277.08774	0.9
279.10089	1.6
285.07715	1.0
286.08368	1.7
286.11411	0.6
289.08606	0.8
292.07376	0.6
295.09668	2.2
306.08923	0.8
307.09592	3.2
309.11188	0.8
311.09534	0.7
311.12964	1.6
312.09915	0.7
321.11270	4.0
327.12268	9.0
339.12177	6.6
345.13312	1.7
357.13272	8.0
375.16370	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	375.1443
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03937	1.2
53.68248	1.1
55.01873	3.3
57.03433	1.1
60.04481	1.0
65.03936	3.3
67.05505	4.4
69.03434	1.1
71.05000	1.1
71.58626	1.5
78.04709	1.4
79.05490	5.3
81.03419	28.1
81.07059	6.1
82.07403	1.2
85.02913	2.4
91.05483	7.0
93.03416	2.4
93.07043	1.9
94.04192	1.4
95.04980	3.7
95.08622	1.2
96.02119	2.2
97.02899	1.1
97.10180	1.0
103.05505	7.9
105.03421	1.5
105.07021	3.7
106.04140	1.0
107.01327	2.9
107.04960	6.9
107.08631	1.2
108.02126	2.2
109.06509	1.7
111.04462	13.0
115.05475	4.0
117.06998	1.9
119.04927	2.6
121.02885	1.2
121.06516	2.6
121.10133	1.6
122.03635	4.3
123.04443	6.3
123.11707	2.7
124.05211	2.1
124.12108	1.2
125.06005	3.2
127.03976	1.2
128.06207	2.5
129.07008	9.9
131.04936	6.8
131.08707	1.1
133.06505	1.8
135.04477	3.0
135.08031	1.3
136.27556	1.0
137.05988	59.6
138.03171	1.0
138.06294	1.0
139.03909	10.1
141.05487	1.5
142.08647	1.0
143.04955	2.8
145.06494	3.2
146.08153	3.4
147.04410	1.8
147.08116	3.7
149.02345	2.3
149.06026	1.7
151.03923	100.0
151.05046	10.6
151.07556	2.5
153.05472	7.3
157.06487	9.0
159.04446	5.3
160.05199	1.9
161.06004	4.4
161.09674	1.1
163.03925	2.9
163.07574	5.3
165.05493	11.1
165.06798	1.9
167.03468	3.5
167.07057	48.4
168.07513	1.4
171.04462	4.0
174.06781	1.2
175.07591	6.1
176.04747	1.7
177.05548	2.2
177.09152	1.0
179.07089	1.5
180.01193	1.1
181.05038	6.3
181.06442	1.7
187.07553	1.8
188.09253	3.9
189.09145	10.9
191.07027	8.5
193.08614	2.1
195.06558	4.3
199.07758	2.3
201.05482	2.2
203.07033	17.0
203.08751	1.7
205.06735	1.8
205.08589	12.7
206.07361	1.3
207.08040	1.8
210.06680	1.3
215.07118	2.4
219.08115	2.2
221.08182	5.1
223.07590	1.3
225.09265	1.8
227.07103	1.2
233.06157	1.2
233.08063	6.1
234.06850	2.1
235.07597	2.5
236.08327	1.7
237.09120	1.8
239.07272	1.0
246.06766	1.2
247.07582	2.3
249.09125	1.9
251.07089	1.6
252.07681	1.4
253.08682	1.8
261.09140	2.1
264.07895	1.8
265.08633	1.8
267.10254	3.3
269.07980	1.6
269.11807	1.4
271.09946	2.3
272.70300	1.1
277.08752	1.1
279.10159	3.3
281.08093	1.8
282.09009	1.1
285.07706	2.0
285.11337	1.6
286.08383	4.0
289.08502	1.4
295.09814	2.3
297.11099	2.4
307.09781	3.7
311.12872	1.5
313.10608	5.3
321.11203	4.9
325.10727	1.4
327.08826	1.7
327.12274	8.9
329.13824	8.3
339.12125	6.7
343.12509	1.4
345.13397	3.9
347.14655	1.7
357.13354	16.5
375.14432	44.5
376.14728	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.3
51.02369	0.4
51.27840	0.1
53.03732	0.2
53.03948	2.1
55.01870	0.4
55.05506	0.7
56.96567	0.9
62.11251	0.2
67.05527	0.9
69.07067	0.7
70.60918	0.5
77.03925	0.7
77.96193	0.2
79.05492	0.5
81.03415	0.5
81.07066	1.4
83.04970	0.2
83.08615	0.5
91.05488	8.0
92.05810	0.2
92.68055	0.2
93.07053	11.6
94.07370	0.3
95.04976	2.9
95.08592	1.4
97.02940	0.3
97.10173	0.4
98.97585	2.2
103.05480	8.8
104.05841	0.2
105.04527	1.2
105.07063	0.3
107.08600	0.3
109.10160	0.5
114.22957	0.2
116.98646	0.6
119.08598	0.4
121.06517	100.0
122.06847	1.9
123.11689	0.2
128.02235	0.2
131.00189	0.8
131.08606	0.3
133.10162	0.3
137.05989	0.3
144.04466	0.2
145.04727	0.3
146.06021	0.4
147.06413	0.3
147.11691	0.2
149.01218	1.2
157.10098	0.2
158.99649	0.8
159.11742	0.2
164.07088	1.8
167.02226	0.2
176.07065	0.4
177.00749	0.4
177.05632	0.2
177.07367	0.4
178.08679	0.9
179.09019	1.1
181.05074	0.3
191.02304	0.2
197.11908	1.6
204.06628	0.3
205.06949	0.2
206.10695	0.3
206.12480	1.3
206.62660	0.2
217.63382	0.5
219.70273	0.2
222.07637	1.6
223.07997	1.7
227.13087	0.6
227.63208	0.3
255.94070	0.2
263.23813	0.5
285.13602	0.3
287.15143	1.9
287.65341	0.4
372.29800	0.2
375.16364	2.3
375.23141	0.2
385.64352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02374	0.3
53.03709	0.1
53.03952	1.9
55.01878	0.2
65.03934	0.3
71.00130	0.2
71.00451	0.2
77.03925	0.7
79.05483	0.3
81.03421	0.3
91.05486	7.7
92.05814	0.2
93.07053	11.7
94.07394	0.2
95.04979	2.6
103.05478	9.0
104.05788	0.2
105.04526	1.4
109.06497	0.1
118.06567	0.2
121.06515	100.0
122.06848	1.5
144.04471	0.2
145.04771	0.2
146.06003	0.4
147.06325	0.4
152.34856	0.1
163.05763	0.1
167.03307	0.1
176.07121	0.2
177.07426	0.2
178.08600	0.8
179.09006	0.8
181.04961	0.3
204.06636	0.2
205.06824	0.2
222.07620	1.1
223.07970	1.4
241.10081	0.1
269.79004	0.1
370.60892	0.1
375.16443	1.9
375.21176	0.3
388.12714	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	375.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03954	1.8
55.01880	0.3
55.05505	0.3
56.96584	0.2
65.03924	0.3
69.62971	0.9
74.55520	0.2
75.04476	1.9
77.03916	0.5
79.05481	0.4
81.03419	0.6
81.07072	0.5
85.02880	0.2
85.48866	0.2
89.03956	0.4
91.05486	7.4
93.07053	10.1
95.04977	2.4
95.08618	0.3
97.02877	0.4
98.97593	0.6
100.11252	0.3
103.05475	7.8
105.04531	0.9
105.07024	0.4
107.04950	0.5
109.10160	0.2
110.97579	0.2
111.04455	0.6
117.03404	0.5
117.07070	0.2
119.04971	0.3
119.08636	0.4
121.06512	100.0
122.06807	1.0
131.04941	0.4
133.02783	0.2
133.84860	0.2
135.04428	0.7
137.06000	1.2
145.02838	0.9
145.06520	0.4
149.02438	0.3
149.06004	0.3
149.24825	0.2
151.03911	0.5
151.07504	0.2
161.06010	0.3
163.03873	1.0
163.07588	0.3
167.07077	1.1
175.07591	0.7
177.05482	1.5
178.05774	0.2
181.04999	0.5
195.06523	2.0
195.08041	0.3
203.07080	0.8
205.04933	1.2
205.06592	0.2
223.07686	0.3
237.07626	0.8
241.08537	0.2
255.10219	0.4
269.08176	0.3
283.09805	0.3
301.10837	0.3
343.11639	0.4
357.13297	0.4
365.64645	0.5
375.14316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.3
51.02369	0.4
51.27840	0.1
53.03732	0.2
53.03948	2.1
55.01870	0.4
55.05506	0.7
56.96567	0.9
62.11251	0.2
67.05527	0.9
69.07067	0.7
70.60918	0.5
77.03925	0.7
77.96193	0.2
79.05492	0.5
81.03415	0.5
81.07066	1.4
83.04970	0.2
83.08615	0.5
91.05488	8.0
92.05810	0.2
92.68055	0.2
93.07053	11.6
94.07370	0.3
95.04976	2.9
95.08592	1.4
97.02940	0.3
97.10173	0.4
98.97585	2.2
103.05480	8.8
104.05841	0.2
105.04527	1.2
105.07063	0.3
107.08600	0.3
109.10160	0.5
114.22957	0.2
116.98646	0.6
119.08598	0.4
121.06517	100.0
122.06847	1.9
123.11689	0.2
128.02235	0.2
131.00189	0.8
131.08606	0.3
133.10162	0.3
137.05989	0.3
144.04466	0.2
145.04727	0.3
146.06021	0.4
147.06413	0.3
147.11691	0.2
149.01218	1.2
157.10098	0.2
158.99649	0.8
159.11742	0.2
164.07088	1.8
167.02226	0.2
176.07065	0.4
177.00749	0.4
177.05632	0.2
177.07367	0.4
178.08679	0.9
179.09019	1.1
181.05074	0.3
191.02304	0.2
197.11908	1.6
204.06628	0.3
205.06949	0.2
206.10695	0.3
206.12480	1.3
206.62660	0.2
217.63382	0.5
219.70273	0.2
222.07637	1.6
223.07997	1.7
227.13087	0.6
227.63208	0.3
255.94070	0.2
263.23813	0.5
285.13602	0.3
287.15143	1.9
287.65341	0.4
372.29800	0.2
375.16364	2.3
375.23141	0.2
385.64352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70378	1.0
55.01899	1.0
55.05527	0.9
57.47750	0.8
65.03946	7.1
67.05501	1.1
69.30126	4.7
69.30547	3.2
79.05492	2.3
81.03419	2.3
81.07045	0.9
87.78840	0.8
92.05009	2.7
93.07058	1.6
94.06593	1.0
95.04934	1.0
95.07354	1.5
95.08627	2.7
96.08142	2.0
98.20752	1.4
103.05500	1.8
107.04955	1.3
108.08127	6.5
110.09706	4.3
111.04546	0.7
116.04994	1.7
120.04482	6.3
120.08103	3.2
121.06527	0.8
122.06042	2.6
123.04411	0.8
124.07657	1.2
126.80293	0.8
129.06981	2.3
131.04962	1.2
136.07578	3.1
137.05989	14.2
138.09126	4.9
138.11815	0.9
141.05521	1.0
141.10092	0.9
144.04510	4.3
145.06520	0.9
147.08072	0.9
148.03941	100.0
151.03914	24.4
151.05020	2.4
153.05452	1.6
154.08649	1.5
155.10669	1.0
157.06520	2.7
157.84955	0.8
162.05542	3.8
166.05014	13.3
166.08661	13.7
167.07059	2.0
171.04666	1.0
172.03946	15.6
175.07591	2.1
184.37305	0.9
189.09206	2.3
190.05005	7.4
191.07048	3.2
199.12349	0.9
203.07021	6.7
204.06572	27.4
204.08473	1.5
205.08578	1.2
221.08057	1.1
227.11876	1.4
247.67151	0.9
255.11275	13.8
273.12363	9.3
280.67099	0.9
283.10828	11.6
301.11850	67.8
301.60260	1.0
302.12347	1.7
309.11252	1.2
311.12775	1.2
319.12918	2.2
321.11133	1.3
325.11859	1.6
327.12314	2.4
339.12701	1.3
343.12900	18.3
357.13776	3.2
375.14069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01860	1.8
55.05262	1.6
55.05516	29.9
58.99583	5.4
60.04539	6.0
67.05498	2.2
68.05019	2.1
68.87869	0.9
69.03428	1.8
69.07066	1.6
69.72504	5.7
70.02972	1.9
71.04990	2.1
72.16561	0.9
74.00639	1.6
79.05476	1.3
80.05024	20.0
81.03426	3.2
81.07048	5.8
83.08632	14.3
84.04501	9.2
84.08141	1.2
85.02911	4.4
86.06052	3.1
86.99055	2.7
88.04005	7.0
91.05466	1.6
91.85320	1.0
93.07029	2.2
95.08595	2.9
96.04501	4.0
96.51268	0.9
97.02885	3.0
97.06551	1.2
97.83433	1.0
98.06087	1.2
98.20798	2.1
99.04478	1.0
100.02197	2.9
101.00645	1.0
106.05005	2.1
107.08612	1.6
108.04481	4.2
109.10175	3.4
114.03759	17.6
119.08608	1.3
121.06500	1.8
121.10166	1.5
122.06821	1.8
128.01671	15.9
129.05435	1.4
131.04953	1.2
135.96588	1.0
136.03946	1.8
137.06007	8.2
137.09659	4.0
138.89465	1.1
139.05792	3.2
142.03230	98.8
144.04765	1.6
146.02718	10.5
149.07118	3.4
150.92151	1.0
151.03923	16.5
151.05019	1.8
157.06390	1.5
159.06422	1.0
159.08405	16.6
163.03957	2.3
165.06706	2.2
165.09113	4.4
170.02722	8.5
174.02219	15.5
177.06598	3.0
177.12950	1.0
177.16472	1.7
188.03804	1.3
192.03273	25.0
195.07742	1.8
195.17473	1.5
201.11287	1.7
203.07132	1.9
211.05386	12.5
211.07201	9.0
213.18434	1.9
219.01855	0.9
223.07156	18.5
225.08658	1.8
229.06512	2.9
241.08197	1.7
242.12111	9.3
246.12306	0.9
246.14891	1.5
252.10614	2.1
257.05920	100.0
258.06229	1.3
270.11624	4.4
274.11078	1.7
275.07037	2.1
292.12177	7.9
321.11353	1.3
327.12134	1.1
339.12582	1.2
357.14575	2.8
375.16321	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	375.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68024	0.6
55.01849	0.6
55.05514	23.3
58.99581	3.7
60.04525	5.6
61.01141	1.7
62.37143	0.5
63.58556	0.5
67.06089	0.5
68.05035	1.5
69.72007	1.8
69.72421	1.4
70.02962	1.0
71.04998	0.9
74.00664	1.2
78.97178	0.5
79.05500	0.6
80.04557	1.0
80.05020	16.5
80.05486	0.9
81.03394	0.7
81.07053	3.4
81.89146	0.5
83.08621	13.4
84.04507	6.4
85.01106	1.0
85.02926	1.2
86.00637	0.6
86.06065	2.4
86.99055	3.2
88.03999	6.8
93.07053	0.7
95.08624	0.8
96.04496	2.5
97.01106	0.6
97.02908	1.0
98.06046	0.8
98.20938	1.0
99.02714	0.9
99.08089	0.8
100.02206	3.4
100.03950	0.7
101.09653	0.9
106.05020	3.2
108.04466	3.8
109.10160	1.2
110.06059	0.6
114.03767	16.0
115.05764	0.7
116.03437	1.1
118.03256	1.3
121.06506	2.0
122.06837	1.3
126.05534	0.9
128.01675	13.2
136.03949	2.5
137.05984	1.1
137.09637	0.9
137.63725	0.6
138.05515	1.0
139.05811	2.8
142.03227	85.1
144.04753	2.3
146.02716	10.6
146.05905	0.6
147.06364	0.7
149.07098	2.5
151.03897	2.2
154.04993	0.9
156.01094	0.9
157.06108	0.6
159.08398	15.3
163.03922	1.5
164.03764	0.7
165.05406	0.7
165.06648	2.1
165.09123	1.3
167.05298	0.7
169.06088	1.4
170.02711	9.0
174.02222	14.8
177.06596	1.7
177.16351	0.6
178.08597	0.6
179.09052	0.6
188.03810	1.4
192.03259	20.0
195.07686	2.4
211.05341	8.5
211.07172	8.4
222.07625	1.4
223.07120	17.6
224.10979	1.0
225.08705	1.8
229.06458	2.9
240.10524	1.3
241.08157	1.6
242.09824	0.9
242.12099	9.6
252.10504	2.2
257.05917	100.0
258.06180	1.1
270.11557	4.2
274.11081	1.1
275.06946	2.0
292.12125	7.7
357.14664	2.1
375.16095	5.4
375.20459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07368	1.1
53.03931	1.4
55.05263	1.5
55.05516	24.2
58.93768	1.2
58.99590	5.2
59.40560	1.0
60.04541	7.8
67.05504	4.2
68.05002	1.5
70.76495	1.2
70.91313	3.3
71.04990	1.6
74.00664	2.6
79.05489	1.2
80.05027	17.4
81.07062	6.8
83.08627	15.4
84.04493	7.8
85.02922	1.5
86.06056	2.7
86.99043	3.0
88.04008	9.0
91.05512	1.4
91.80893	1.1
95.04969	1.2
95.08604	3.4
96.04498	3.2
97.02883	1.1
98.06072	1.2
99.02649	1.3
99.08102	2.0
100.02221	2.5
106.05024	2.3
107.08582	2.3
108.04491	3.3
109.10167	10.5
111.04466	1.2
114.03777	13.9
114.44154	1.0
116.03437	1.3
121.10146	2.9
125.05921	1.1
127.67525	0.9
128.01688	14.4
135.11699	1.3
136.03949	2.3
137.05968	1.2
137.08661	1.3
137.09637	17.5
139.05798	3.1
142.03239	87.0
144.04790	3.0
146.02704	10.6
149.07100	3.8
151.03886	4.3
155.10684	3.5
156.01186	1.1
159.08401	22.5
162.69183	1.1
165.06596	3.0
165.09138	12.5
167.05309	1.3
170.02661	6.4
174.02232	13.0
177.06619	2.9
177.16414	3.8
182.04474	1.0
183.10182	2.9
192.01657	2.0
192.03281	23.7
195.07655	3.2
195.17540	1.3
201.11227	4.6
211.05365	10.6
211.07224	7.5
213.18427	1.4
223.07132	20.2
223.26538	1.2
224.11090	1.3
225.08733	1.2
229.06462	3.2
241.08263	1.6
242.12146	10.1
252.10538	1.9
257.05936	100.0
259.06204	1.3
270.11588	5.7
275.06891	1.2
292.12122	10.3
339.14380	3.4
357.15057	3.1
375.15909	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01857	3.0
55.05506	1.4
62.89735	0.9
65.03918	1.2
67.05511	13.6
67.28874	0.9
68.56432	0.9
69.03447	1.6
69.88203	4.2
73.02915	1.8
79.05511	1.3
81.03445	0.9
81.07058	2.5
83.04958	1.4
83.08607	1.4
85.02908	1.7
91.05485	29.5
93.07047	16.6
95.04977	4.1
95.08614	28.9
99.04470	1.3
101.02389	11.8
105.06987	2.2
109.10162	15.9
111.04441	1.5
111.08074	1.6
119.08588	77.3
123.04477	0.9
123.08022	1.5
129.05450	0.9
129.06996	1.5
137.09627	60.2
139.03944	1.4
147.08070	6.2
151.03940	2.2
152.80324	1.1
155.10666	3.6
165.09123	9.1
183.10161	3.4
201.11229	100.0
311.14978	4.5
339.14368	11.1
357.15466	18.4
375.16241	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
55.05518	21.0
57.03425	1.2
57.05848	1.3
58.99585	3.0
60.04519	5.5
65.03958	1.4
67.05508	27.9
68.05034	1.8
69.03432	3.0
69.07085	1.5
69.71510	6.3
71.04993	4.3
79.05486	3.4
80.05020	13.4
81.03408	1.4
81.07064	18.1
83.04996	1.8
83.08610	12.0
83.28613	1.1
84.04502	4.3
85.01124	1.2
85.02914	4.3
86.84225	1.1
86.99060	2.6
88.04012	5.9
91.05473	4.1
93.07037	5.6
95.04977	6.6
95.08618	12.6
96.04510	2.5
97.02903	2.3
98.21510	2.0
99.04470	1.8
99.08102	1.8
100.02226	2.8
105.07024	1.9
106.05041	2.7
107.08614	2.1
108.04478	2.7
109.06504	2.6
109.10163	67.3
109.87224	1.2
111.04453	3.6
114.03764	12.9
119.08594	5.2
121.06519	4.0
121.10133	3.0
122.06832	1.4
125.06017	6.1
128.01677	10.9
129.05505	1.5
135.11687	1.9
136.03987	1.5
137.05984	4.6
137.09625	100.0
139.03893	3.3
142.03230	57.2
142.04106	1.2
144.04823	1.4
146.02724	8.4
149.07199	2.0
151.03903	7.1
155.10680	19.6
159.08412	11.0
163.03996	1.7
165.09128	59.5
167.05298	1.5
170.02724	5.6
174.02261	10.1
178.08601	1.7
183.10188	14.3
192.03262	15.3
194.02873	1.5
201.11232	30.3
203.07034	2.0
211.05441	6.5
211.07201	5.3
213.14912	1.3
213.18723	1.4
222.07686	1.5
223.07144	12.3
225.08786	1.6
242.12003	6.6
257.05930	64.2
259.05777	1.3
270.11621	3.3
292.12219	4.4
339.14398	17.3
357.15677	6.0
375.16040	4.5
388.18417	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96637	1.0
53.03940	2.0
55.01871	4.2
55.05510	9.0
57.03445	8.0
61.02932	6.0
63.60807	1.0
65.03941	1.7
67.05510	5.9
69.03436	63.2
69.07082	5.5
69.97916	3.1
69.98314	1.8
71.04989	4.9
73.02917	2.6
76.47913	1.1
78.69910	1.0
79.05500	8.5
81.03427	7.6
81.07062	16.9
83.04989	26.8
85.02914	14.8
85.06552	2.2
87.04482	5.9
91.05486	15.0
93.07056	26.2
95.04984	9.6
95.08588	3.3
97.06516	1.6
99.04476	11.9
103.03929	3.4
105.07043	23.1
107.05007	1.2
107.08627	5.7
109.06528	23.9
109.10146	3.4
111.03709	1.5
111.04459	24.8
111.08090	6.9
113.06026	1.5
117.05488	1.9
119.08588	7.3
121.06491	2.9
121.10104	1.6
123.08085	2.3
123.11687	2.8
129.05486	25.3
129.06966	2.4
131.08559	10.1
133.06526	2.8
133.10141	57.9
137.05997	12.7
147.06529	21.9
147.11700	17.2
149.09601	3.5
151.03954	10.8
151.07555	8.5
151.11198	100.0
155.07043	7.7
157.10112	1.8
165.07611	13.9
165.12794	4.1
175.11229	11.3
183.08640	2.7
189.07562	3.7
189.09132	2.0
193.12267	60.8
203.07024	1.9
211.13309	27.7
221.08109	1.8
315.44379	1.2
339.18005	10.8
357.19214	3.2
375.20251	2.5
383.86319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.238
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03947	2.9
55.01862	5.9
55.05513	19.4
57.03448	9.3
57.07077	3.8
59.05005	3.8
61.02929	11.9
67.05518	8.9
69.03432	28.1
69.07072	40.3
69.07454	2.4
69.32446	12.9
71.05003	12.2
73.02915	4.8
79.05487	4.8
81.03433	12.6
81.07060	29.3
83.01308	1.2
83.05003	7.0
83.08629	8.9
85.02908	81.9
85.06542	23.1
87.00806	1.4
87.04480	8.0
91.03951	4.6
91.05475	3.5
93.07061	11.9
95.08054	2.8
95.08611	41.5
97.02888	22.6
97.06535	4.2
97.10179	11.2
99.04449	3.9
99.08099	25.8
107.08595	24.3
109.02898	8.2
109.10165	13.7
111.08072	4.0
111.11739	7.8
113.09645	7.7
116.06485	1.5
121.06506	10.9
121.10155	33.1
122.06860	2.0
123.11684	9.5
125.09650	7.6
127.03932	17.1
135.11708	16.0
137.05952	2.0
137.13260	20.0
139.11203	8.7
145.04953	17.0
149.13261	3.1
151.03885	3.0
151.14819	4.7
153.12759	11.6
176.06984	2.3
177.16396	100.0
192.06575	1.9
194.08144	4.4
195.17467	48.8
213.18501	63.7
222.07657	2.5
223.07861	3.0
238.07129	3.9
238.69754	1.5
253.28383	1.3
253.34068	1.5
339.21548	1.7
375.16309	3.2
375.23767	10.9
376.13956	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	375.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.05515	18.7
67.05513	33.0
69.03433	3.7
69.07083	20.5
79.05122	4.5
79.05505	45.9
81.03418	4.4
81.07062	89.2
83.05005	7.1
83.08596	5.1
91.05485	51.2
93.07055	63.4
95.04986	57.1
95.08060	6.7
95.08623	85.3
97.06538	10.4
98.20715	8.2
103.05471	5.8
104.92689	3.5
105.04532	3.4
105.06390	6.7
105.07043	100.0
107.08597	46.2
109.06551	6.3
109.10178	31.4
115.05434	8.2
117.07050	19.3
119.08598	71.2
121.06505	41.6
121.10157	77.1
122.06833	12.1
123.08063	6.3
123.11725	65.6
128.06203	11.2
129.07043	17.5
130.07779	6.6
131.08589	39.5
133.10144	49.1
135.08025	4.5
135.11682	15.0
141.06964	5.9
142.07796	28.1
143.08582	38.3
144.04411	4.5
144.09303	9.0
145.10141	59.9
146.05992	7.0
147.08011	7.3
147.11700	29.1
149.13159	3.6
153.07059	5.5
154.07822	4.2
155.08524	23.2
156.09364	11.7
157.10149	57.9
158.10829	3.6
159.08029	5.7
159.11688	21.2
161.13190	6.3
165.07037	4.3
167.08575	11.1
169.10199	28.6
170.10864	8.1
171.11688	23.3
173.13278	13.4
175.11215	3.8
178.08658	15.5
179.08711	15.4
179.75851	3.6
180.09332	5.7
181.10143	14.4
182.10901	7.5
183.11716	25.3
185.13280	9.6
187.11115	5.2
187.14783	11.9
189.16359	4.4
192.09349	5.0
193.10164	13.8
194.10915	11.4
195.11684	28.5
196.12462	7.1
197.13365	22.5
206.11084	7.3
207.11708	11.3
209.13286	21.8
210.13988	11.2
211.14827	16.1
220.12410	6.0
221.13290	10.1
222.07695	19.2
222.09586	3.9
223.08012	34.2
223.14801	15.4
224.11903	3.6
225.16374	11.7
227.14241	4.3
233.13243	4.2
235.14859	10.2
237.16307	4.6
239.14285	12.1
251.17885	9.0
253.15956	10.3
265.19586	4.9
266.20343	8.7
290.68405	3.6
375.16385	29.0
375.26831	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	375.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	5.7
54.71899	1.0
55.01867	3.6
55.05516	100.0
56.99750	1.4
57.07076	1.6
62.85572	1.1
65.03963	1.8
67.05509	19.7
69.03454	1.5
69.07086	5.9
71.05011	7.5
71.57182	1.5
79.05493	15.3
81.07062	17.5
83.04980	4.3
83.08628	54.2
85.06542	1.9
91.05485	15.2
93.07053	14.0
95.01974	1.2
95.04971	7.0
95.08615	11.2
97.06528	9.8
97.10203	1.5
99.08097	1.9
103.05446	2.4
105.07036	11.1
107.08584	8.5
109.06523	8.2
109.07179	1.4
109.10155	3.8
111.08081	2.2
113.06037	1.7
117.07034	3.9
119.08573	9.4
121.06485	9.3
121.10160	6.4
122.06873	4.5
123.08075	12.2
123.11702	2.1
125.09643	1.4
128.20190	1.2
131.08563	7.6
133.10152	7.0
135.11693	3.1
137.09625	2.6
143.08546	1.9
145.10085	6.0
146.06030	3.2
147.06348	2.7
147.11707	5.6
149.09528	1.3
151.11230	3.6
151.65533	1.2
157.10201	1.2
159.11681	3.5
161.13217	2.6
163.11208	1.9
165.12758	1.1
168.52382	1.3
171.11780	1.7
173.13260	2.9
176.07082	1.6
177.07391	1.9
178.08690	5.5
179.08997	4.4
185.13187	1.3
187.14780	1.6
205.06882	1.6
222.07616	7.7
223.07961	8.2
247.20401	1.3
249.18755	1.6
257.19070	3.5
275.20081	14.8
293.21152	11.2
301.20233	1.9
357.27820	5.5
375.16370	11.7
375.24918	7.3
375.29016	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	375.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.01880	16.0
55.05515	100.0
67.05502	22.9
69.07079	20.6
71.58495	2.2
79.05510	20.1
81.03421	13.4
81.07063	39.2
83.04978	6.5
83.08621	50.2
91.05483	35.5
93.07037	22.5
95.01347	3.5
95.04971	5.5
95.08614	22.3
97.06537	47.2
97.10182	5.0
105.07034	57.6
107.04953	12.9
107.08583	9.6
108.80366	1.9
109.06494	2.5
109.10161	6.7
115.05437	2.2
117.07050	10.7
119.08579	32.0
121.06497	4.2
121.10134	6.1
123.08131	2.3
129.07001	2.5
131.08562	15.7
133.10139	34.9
135.08073	4.6
135.11723	6.1
137.09647	2.4
139.48308	2.0
143.08560	2.5
145.06479	3.0
145.10121	10.8
147.11708	14.5
149.09645	6.4
155.08646	2.3
157.10130	2.8
159.11699	7.4
161.13292	4.8
163.11113	3.8
165.09114	1.9
171.11734	2.7
173.13326	2.3
177.12753	3.5
179.14291	9.9
187.11218	3.9
239.17953	3.6
241.14380	3.0
247.20683	3.8
257.18991	7.5
275.20087	95.9
293.21094	2.1
375.29123	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01871	5.1
55.05514	100.0
56.75981	3.0
57.03423	3.1
57.07045	3.4
60.98011	2.8
67.05508	48.3
69.07071	17.5
70.62054	9.0
71.04987	12.5
71.87068	2.9
79.05502	31.0
81.07063	48.3
83.04989	8.8
83.08622	65.9
85.06583	4.9
91.05491	33.1
92.74503	2.9
93.07053	36.6
95.04973	9.6
95.08609	32.5
97.06517	15.4
97.10184	5.2
97.92435	2.7
103.05463	3.4
105.07024	24.1
107.08616	19.0
109.06506	15.2
109.10151	9.2
111.08086	4.2
117.07052	13.4
118.97064	2.8
119.08574	17.7
121.06490	18.3
121.10155	15.0
122.06849	7.7
123.08060	16.1
123.11740	7.0
131.08543	18.2
133.10181	14.9
135.08055	9.2
135.11674	8.2
137.09618	4.0
144.04488	3.2
144.82686	2.9
145.10109	14.9
146.06036	4.7
147.11676	13.9
149.13199	7.3
151.11177	3.1
157.10115	6.7
159.11681	8.1
161.13266	10.3
165.12791	3.1
171.11699	6.2
173.13303	7.1
178.08598	6.2
179.08931	8.7
187.14854	6.2
191.14345	5.3
191.61087	3.0
211.14980	3.2
222.07661	12.3
223.07922	17.8
275.20132	10.3
291.19699	6.1
292.20319	3.0
293.21036	22.3
357.27914	7.1
367.52328	3.0
375.16348	20.9
375.29126	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	376.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84305	0.6
64.73019	0.6
65.03920	2.9
69.65101	4.1
78.37055	0.6
81.07072	1.2
91.05486	55.3
92.05032	1.1
93.07039	0.7
98.21125	2.3
109.06508	1.3
110.68409	0.7
116.04972	1.1
117.05769	3.1
118.06540	10.5
119.04948	28.0
120.04483	1.2
121.06482	2.6
130.08192	0.6
132.29379	0.6
134.06038	0.8
136.07640	0.7
137.05983	68.2
144.04454	11.7
146.06018	39.5
151.45020	0.7
154.04941	1.0
162.05516	10.4
164.07057	2.6
165.95778	0.5
168.32376	0.6
172.03975	3.9
176.07083	17.2
178.08641	87.7
180.06587	0.9
190.05019	6.6
192.06448	0.6
194.08073	1.6
196.06075	0.8
196.09735	5.2
204.06570	14.6
208.06097	1.9
222.07628	97.9
223.08046	1.2
240.08722	3.8
358.12921	1.7
376.13931	100.0
377.14206	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	376.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.6
63.19121	0.6
65.03936	1.1
67.54159	0.5
70.02956	0.9
71.59149	0.6
81.07053	0.9
83.56298	0.5
84.08152	0.6
91.05487	24.6
92.05009	0.8
93.07072	0.6
95.05016	0.6
95.08603	0.7
97.02906	1.4
98.97601	1.1
99.97378	0.6
102.05555	1.1
105.03417	0.6
109.06557	1.8
119.04952	16.5
120.04478	2.7
121.02856	0.6
121.06515	0.7
135.04408	0.8
137.05984	100.0
138.05484	5.2
138.06364	0.9
146.09676	1.6
148.03896	3.4
151.04001	0.9
151.06287	2.8
151.07484	1.0
152.07062	6.5
163.03886	0.9
166.05003	29.5
177.05458	1.2
180.06570	56.9
184.11235	1.0
186.09109	0.7
200.10696	1.1
208.06087	17.8
224.10555	0.7
228.17532	1.9
254.04225	0.6
254.19035	6.4
255.19810	1.1
256.17010	2.3
268.20789	0.6
270.18533	6.7
271.19339	1.7
272.20090	6.9
284.20132	6.4
296.19894	1.1
302.10254	9.4
314.21271	1.3
315.22113	1.2
341.50119	0.7
344.11264	2.1
360.21646	0.8
376.24847	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	3.4
69.65519	3.5
75.52975	0.7
79.05471	1.0
81.07023	0.8
91.05488	51.7
92.04993	1.4
95.04852	0.6
103.98964	0.6
109.06513	2.0
116.04966	1.1
117.05756	2.0
118.06557	11.0
119.04953	24.9
120.04457	1.6
121.06496	2.4
121.56287	0.6
122.70306	0.7
137.05984	67.3
144.04443	11.9
146.06020	40.7
162.05534	8.9
164.07089	1.2
172.03969	4.1
176.07095	17.7
178.05193	1.7
178.08647	85.2
178.21385	0.6
190.04994	6.3
194.08110	0.9
196.06091	0.7
196.09723	4.6
204.06555	15.1
204.83591	0.7
208.06090	2.0
222.07625	88.6
223.07967	1.6
240.08694	3.1
295.83774	0.7
358.12863	1.5
376.13931	100.0
377.14389	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.6
56.96555	3.4
57.03424	3.9
60.04516	2.9
61.02919	5.3
62.06089	5.9
69.03426	14.1
69.11790	1.8
70.06614	3.8
71.04991	2.4
72.08186	2.3
73.02898	4.0
79.05506	2.6
81.03437	4.0
83.04980	1.7
85.02908	33.5
85.06536	8.0
86.09686	3.9
87.04475	3.9
87.34782	1.8
88.04017	2.7
91.05495	9.9
97.02895	14.9
98.97582	12.4
99.04462	3.0
107.04972	2.5
109.02823	4.4
110.97559	3.6
115.03921	2.5
119.04942	18.6
121.06490	2.9
122.03625	2.5
123.04448	2.9
125.06001	2.5
127.03890	8.7
128.98579	2.8
131.04907	2.1
135.04404	5.6
137.05983	100.0
138.06284	10.0
140.04680	4.8
145.02844	2.8
145.04959	11.3
147.04427	41.5
148.04768	1.9
151.03943	1.9
151.07562	2.2
152.04309	2.0
153.05438	2.2
158.99683	4.2
161.04756	2.4
161.05972	4.9
162.06288	2.6
163.03914	13.9
164.04213	1.7
166.94102	1.8
167.07037	2.6
177.00644	2.3
177.05426	2.7
179.00375	1.7
179.07047	56.4
180.08772	2.0
197.08116	22.6
202.48807	2.0
204.07483	3.3
214.10783	3.6
215.05548	1.8
218.06271	12.1
218.56378	3.2
219.01627	4.2
219.07005	3.6
222.08395	2.0
237.02753	4.6
239.88991	2.2
304.01703	1.7
317.09143	2.4
376.16025	3.0
377.08398	15.5
377.14090	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	376.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	10.5
63.14740	0.3
69.90427	1.5
78.03451	0.6
78.77893	0.4
79.04224	0.8
81.07101	0.3
85.02893	0.5
90.11216	0.3
91.05482	2.4
93.07047	3.3
95.04953	0.7
96.04502	1.3
103.05461	2.0
105.07104	0.4
110.05997	0.4
114.81501	0.3
119.04922	0.7
120.04498	0.8
121.06517	34.2
122.06050	0.4
124.03968	4.2
136.07574	0.6
137.05988	2.9
138.05513	100.0
139.05841	0.5
146.99657	0.3
148.04825	0.4
150.05547	0.8
152.07092	1.0
164.07080	18.7
166.05069	0.6
174.74280	0.4
178.04970	2.3
180.06610	1.2
182.08267	0.5
196.06129	1.2
198.07581	0.4
243.61761	0.4
244.09749	7.3
270.11252	2.0
314.76953	0.3
316.11734	4.7
376.17664	0.4
387.98724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41046	0.5
56.96291	1.0
56.96571	17.7
58.97606	0.4
67.05505	0.6
69.27943	3.9
71.51609	0.4
71.95273	3.4
72.96057	1.2
74.97633	1.1
81.07032	0.6
84.96017	1.3
88.07618	0.5
95.08575	0.5
97.96825	1.3
98.97578	1.8
110.97589	6.2
115.97840	0.8
116.98656	0.7
121.06490	0.8
123.01221	1.3
128.98621	8.2
137.02698	1.0
143.00145	0.8
146.99664	3.2
149.02379	0.6
152.00127	0.9
155.03760	0.8
159.37437	0.5
161.01268	1.2
170.01271	1.1
171.03296	1.2
177.02203	0.5
178.84492	0.6
185.04919	0.7
189.04385	1.1
191.97911	0.5
203.05920	0.9
237.10051	0.7
263.09607	2.1
277.11169	1.6
315.16467	1.1
317.17899	36.4
318.18167	0.7
333.17453	2.5
335.18948	100.0
336.19336	1.6
353.20013	20.0
358.20538	20.7
359.20941	0.8
375.36789	0.6
376.08078	0.8
376.16959	0.8
376.21521	2.9
376.25839	0.9
376.36942	1.1
399.23346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.6
56.96574	18.2
61.20105	0.7
61.92583	0.6
63.21984	0.7
69.24662	1.0
69.25066	5.3
71.95271	3.5
72.96046	1.1
74.97608	0.7
75.67359	0.5
77.70219	0.7
84.96030	1.1
96.59423	0.6
97.96820	1.5
98.86472	0.6
98.97578	1.3
109.34977	0.7
110.97571	6.9
116.98634	0.6
117.98148	0.6
121.06501	0.8
123.01214	0.9
128.98611	8.6
143.00224	0.9
146.99675	3.8
155.03767	0.7
161.01183	1.2
169.01819	0.7
171.03319	1.2
189.04414	1.0
205.07487	0.7
235.62918	0.6
249.08060	0.8
263.09579	1.7
277.11151	2.0
278.10184	1.0
314.33020	0.6
315.16553	1.1
317.17883	39.7
333.17368	2.6
335.18948	100.0
336.19312	2.6
353.20044	17.2
358.20572	24.7
376.21378	4.6
376.36871	1.4
399.23224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2481
Annotation	Tuberostemonine
Peak:m/z	Relative Intensity
71.58517	0.2
89.65873	0.1
91.05466	0.2
92.53983	0.1
95.05063	0.1
101.30552	0.1
137.05986	0.7
138.06285	0.2
144.08076	0.2
146.09662	2.5
151.20332	0.1
152.56813	0.1
155.45900	0.1
156.08089	0.2
158.09685	0.4
167.07111	0.2
170.09657	0.6
171.10457	0.3
172.07593	0.4
172.11215	0.4
180.06569	0.1
183.10445	0.4
184.11249	1.2
185.12004	0.3
186.09151	0.5
188.10732	0.8
189.11525	1.3
196.11279	0.2
198.09157	0.2
200.10748	2.1
201.11464	0.3
202.12277	0.4
210.12907	0.2
212.10709	0.7
212.14340	0.1
213.11496	0.3
214.12355	0.2
223.00320	0.1
224.10757	0.5
228.14006	0.1
228.17482	2.6
238.15976	0.8
240.17474	0.2
241.18129	0.2
242.11830	0.3
244.13298	0.2
252.17439	0.2
253.18185	0.3
254.19051	7.6
255.19765	1.5
256.16983	2.9
257.17792	0.1
268.17151	0.1
268.20645	0.3
269.17868	0.2
270.18549	10.1
271.19324	1.6
272.20099	9.4
273.20523	0.2
277.29633	0.1
284.20111	7.9
284.80762	0.1
285.20465	0.1
288.15881	0.2
296.20172	1.2
298.21692	0.2
304.15445	0.5
314.21115	1.6
315.21857	1.1
316.22754	0.2
328.22769	0.2
360.21606	0.2
376.24844	100.0
377.25143	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	377.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03431	1.0
59.12241	0.7
61.02928	1.3
67.05495	1.1
69.03426	3.3
71.04971	1.7
71.57576	0.8
73.02913	0.9
79.05493	1.2
81.03415	1.0
83.04958	1.1
85.02917	5.5
85.06078	1.1
85.06548	16.7
87.04472	0.8
89.03900	1.5
91.03365	0.8
91.05467	0.9
91.28477	0.7
93.07037	0.8
95.04967	0.9
96.87680	0.9
97.02879	2.7
97.06544	1.4
98.97572	1.5
99.04456	0.8
101.00912	1.7
101.35286	0.7
103.07548	0.7
105.07021	2.0
117.03395	2.1
119.01919	1.6
119.04967	1.6
121.06498	1.2
123.04284	0.7
127.03938	1.6
131.01839	0.7
133.06581	0.9
135.04414	3.4
137.05959	2.0
139.11246	0.9
143.00150	0.7
143.01862	1.2
144.14708	0.7
145.02811	2.3
145.04924	0.8
147.04390	1.6
151.07547	1.0
155.07002	0.7
157.03427	1.6
158.99660	0.9
161.02933	1.0
163.03918	15.6
164.04295	1.6
167.10666	3.1
176.04657	0.8
177.05432	1.0
185.02086	2.2
197.04193	2.2
197.08070	2.9
201.05182	0.9
215.05334	7.0
219.01468	0.8
221.03094	1.0
221.05023	1.1
223.06555	2.4
239.04437	0.7
257.09921	0.9
265.07736	2.5
277.07648	0.8
286.05032	0.7
291.09183	1.2
312.27536	0.9
357.12411	0.8
359.07526	2.8
377.08383	100.0
378.08636	1.3
393.29041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75217	0.6
60.44199	0.6
61.02942	0.8
68.86136	0.6
69.03419	1.5
71.04952	0.8
71.42638	0.8
71.42966	0.9
75.79768	0.6
85.02880	2.1
85.06533	5.4
97.02892	1.0
97.06512	0.7
98.97588	1.5
101.00861	0.8
106.08614	0.7
117.03384	1.0
119.01900	1.0
127.03925	1.5
135.04410	2.2
137.05972	0.9
143.01909	0.9
144.16475	0.6
145.02774	1.2
157.03529	1.2
161.01070	1.0
163.03893	9.9
164.04280	1.1
175.04500	1.0
185.02081	2.8
185.69246	0.6
197.04184	1.9
197.08138	1.3
201.05109	0.7
215.05249	7.3
223.06566	1.4
235.71175	0.6
267.04163	0.7
359.07559	3.3
377.08398	100.0
378.08994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07965	0.2
65.03931	2.3
69.26030	2.3
73.02187	0.2
79.05483	0.7
81.07059	0.8
86.36602	0.2
86.79082	0.2
91.05483	32.3
92.05794	0.5
93.03436	0.6
94.04182	0.2
98.20823	0.5
100.64274	0.3
107.04925	0.4
109.02879	0.5
109.06510	1.5
119.04948	17.4
121.02888	2.1
137.05980	100.0
138.06328	1.0
139.03928	0.6
145.70502	0.2
149.02344	2.6
151.03929	0.8
153.05460	3.0
163.67490	0.3
165.05449	0.3
166.98111	0.3
167.03416	1.6
169.05006	0.4
181.04958	7.4
181.06528	0.5
191.03368	0.7
223.05977	0.9
289.93271	0.3
303.08716	0.5
335.07706	0.4
371.69049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21357	0.3
65.03938	2.6
66.40395	0.3
67.47597	0.3
69.84660	0.7
69.85052	0.8
79.05481	0.3
79.15321	0.3
81.07068	1.0
86.86815	0.3
91.05485	34.6
92.05832	0.4
98.21480	0.6
109.06521	1.7
119.04948	19.5
120.96809	0.3
121.02872	0.5
123.04449	0.4
137.05983	100.0
138.06323	1.1
149.02370	0.8
163.03818	0.4
165.05505	3.5
181.04924	0.8
222.07755	0.3
244.82458	0.3
377.14081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55746	0.2
56.37358	0.3
65.03944	1.9
69.65623	1.5
79.05505	0.6
81.07061	0.6
85.48487	0.2
91.05489	33.7
93.03421	0.3
94.34373	0.3
95.04978	0.3
96.64206	0.3
97.02899	0.6
107.04907	0.4
109.02893	0.4
109.06520	1.8
111.65858	0.2
119.04951	18.4
121.02874	1.5
121.06511	0.5
135.04466	0.3
137.05989	100.0
138.06303	0.8
146.09538	0.3
147.04445	1.5
149.02350	3.0
163.03850	0.5
165.05458	0.4
177.05525	0.4
181.05002	0.6
191.03409	1.6
205.04953	0.5
223.05989	0.9
269.21246	0.3
271.18857	0.6
272.19879	0.3
273.20590	0.3
377.25259	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.8
69.03442	0.7
70.64189	0.8
79.05486	0.9
81.07046	0.7
84.99665	0.3
91.05482	30.4
92.05844	0.4
93.07043	0.5
94.04203	0.3
95.04992	0.5
99.04455	0.5
103.05472	0.3
105.07038	0.6
109.06512	1.3
111.04399	0.5
113.54245	0.3
119.04948	16.7
119.08662	0.3
121.02851	0.3
121.06517	4.5
122.06824	2.0
123.04447	0.3
123.07135	0.7
129.06973	0.7
131.08536	0.5
137.05980	100.0
141.07018	0.5
142.07765	1.7
145.06482	0.4
145.10115	0.5
149.02348	0.8
154.07735	0.4
157.10138	1.2
159.07976	0.4
159.11760	0.6
167.03395	0.8
181.04948	2.0
182.30276	0.3
185.09642	1.7
187.11241	1.1
213.09099	2.4
251.43277	0.3
377.15756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1458
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03939	1.9
55.01896	0.6
55.05503	1.0
57.03193	0.6
57.03444	6.9
59.04999	0.6
60.44213	0.5
61.02930	3.6
62.63485	0.5
67.05499	2.0
69.03432	12.5
69.07053	0.5
70.18600	1.9
71.01346	2.1
71.05002	2.8
73.02930	2.3
75.04478	1.4
79.05494	1.8
81.03428	3.9
81.07046	1.7
83.04977	1.9
85.02922	1.0
85.06548	12.2
87.04470	0.9
91.05479	1.7
91.68546	0.5
93.07050	3.1
95.04967	0.9
95.08613	2.0
97.02893	3.0
97.06537	1.2
99.04467	4.0
103.07555	0.5
105.07017	0.7
109.10149	0.6
111.04419	1.3
111.08112	0.5
117.05492	0.8
119.08552	0.7
121.06525	0.5
121.10164	2.6
123.08057	1.0
127.03839	0.5
129.05534	0.7
131.08592	0.8
133.63678	0.5
135.07956	0.6
137.05972	3.7
138.06277	1.1
138.09151	0.6
139.03969	0.5
139.11171	1.2
145.07632	1.3
147.06552	0.6
149.09627	2.0
166.08615	0.5
167.10689	6.4
170.07144	1.1
172.08713	25.3
175.06042	0.8
179.10684	0.6
185.11856	0.7
190.09735	1.5
193.07069	0.8
198.06619	6.3
198.08290	0.7
199.09735	1.3
200.08226	4.3
214.09874	0.5
214.14423	0.7
215.14740	1.1
216.07706	13.9
218.09306	0.5
243.08792	60.9
244.07050	1.1
244.09236	0.7
267.07556	0.6
285.09607	0.8
327.09872	0.8
341.15869	2.2
358.26053	0.5
359.13489	2.9
377.14563	100.0
378.15036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56423	0.6
52.03820	0.5
53.03943	2.0
55.01853	0.6
56.96565	2.2
65.03941	0.8
67.05492	0.8
69.07053	0.6
71.57945	0.5
72.08140	0.7
79.05484	1.2
81.03416	1.1
81.07057	1.8
85.02951	0.8
91.05490	12.7
93.07050	9.4
95.04965	2.2
95.08617	1.1
97.02885	0.6
98.97591	1.8
103.05470	6.3
105.04502	0.8
105.07007	1.2
107.08608	1.2
109.10161	0.9
112.11269	0.6
117.03320	0.6
119.04928	1.3
119.08624	0.6
121.06514	100.0
122.06812	0.7
129.06947	0.5
131.08546	1.2
135.04427	0.7
137.05978	6.5
139.07555	0.5
145.02852	1.0
145.10136	1.2
149.05977	0.9
151.03868	0.8
151.07573	1.5
164.07072	0.8
165.05504	5.9
167.07028	0.7
173.13345	0.6
176.69908	0.5
177.05527	1.8
236.14075	0.6
255.05524	1.1
288.92081	0.6
311.41782	0.6
377.12408	0.6
377.20670	1.0
377.31982	0.7
389.40762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
65.26897	0.4
67.05496	0.8
68.20326	0.4
69.91768	2.3
74.16423	0.5
77.03915	0.5
79.05495	0.5
81.03392	0.5
81.07064	2.4
83.04995	0.5
84.08144	0.5
84.73937	0.4
91.05482	10.0
93.07048	10.3
95.04951	2.3
95.08606	1.5
103.05470	9.5
105.04527	0.9
105.07011	1.1
118.06499	0.4
118.07944	0.4
118.66258	0.4
119.04932	1.1
119.08576	0.7
121.06509	100.0
122.06831	3.1
127.03980	0.5
137.05978	4.9
137.13266	1.5
142.07803	1.1
143.08510	0.6
145.06497	0.5
155.14322	3.3
157.10202	1.1
165.05510	3.1
185.09673	0.6
212.25710	0.4
213.09055	0.5
245.78191	0.4
247.00087	0.5
248.85172	0.5
296.09668	0.8
302.81024	0.5
377.23245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75245	0.2
53.03953	2.0
54.45132	0.3
55.01879	0.6
60.09228	0.2
65.03946	0.8
67.05495	0.3
69.22723	0.5
69.23128	2.1
77.03905	0.3
79.05501	1.0
81.07067	0.9
85.02881	0.3
89.03928	0.3
91.05486	12.8
93.07050	7.9
93.51805	0.3
94.04195	0.3
95.04973	2.2
97.02879	0.4
98.68057	0.3
98.97588	0.8
103.05472	6.6
104.74047	0.3
105.03440	0.4
105.04518	0.6
105.07025	0.3
107.08567	0.3
109.06532	1.0
110.04388	0.3
115.38280	0.2
118.98071	0.2
119.04961	3.3
121.06514	100.0
122.06858	0.9
123.04427	0.6
133.02902	0.7
135.04457	1.0
137.05986	19.3
145.10101	0.4
149.02344	0.8
151.03912	0.6
158.57602	0.3
163.03923	1.3
164.04222	0.5
165.05487	38.8
179.07071	0.6
181.04922	0.5
191.03455	0.4
207.06557	0.9
223.06062	0.4
225.07585	1.2
239.09169	1.3
271.18884	0.3
367.64111	1.0
368.14233	0.5
377.14157	0.8
377.25043	2.3
389.40555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
59.64902	0.4
62.10265	0.3
69.58148	2.3
69.58470	0.5
75.84923	0.4
77.03935	0.7
85.49621	0.4
90.22531	0.4
91.05485	5.3
93.07059	7.8
95.04985	2.0
98.21411	0.8
103.05475	6.0
105.03490	0.3
105.04495	0.8
121.06517	100.0
122.06844	0.7
137.06032	0.5
141.22629	0.4
143.19516	0.4
149.02361	0.5
151.03944	0.6
156.79617	0.4
165.05495	13.8
172.60753	0.4
175.03955	0.4
207.06633	0.9
225.07610	1.2
239.09166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
64.44402	0.5
65.03938	0.6
69.03420	0.9
70.59143	0.4
74.05770	0.4
79.05481	1.4
81.03417	0.9
81.07061	0.9
83.05022	0.5
83.72025	0.5
85.15667	0.4
90.79527	0.4
91.05488	7.8
93.07049	8.1
95.04967	1.8
103.05473	7.5
105.04498	1.0
105.07022	0.7
111.04406	0.6
117.07047	0.4
119.04948	1.1
121.06510	100.0
122.06871	1.5
129.06979	0.5
137.05975	4.8
142.07765	2.3
143.08498	0.6
145.06502	0.6
145.10127	1.0
150.10019	0.5
151.03882	0.7
157.06485	0.5
157.10100	1.3
158.07347	0.5
159.11722	0.9
165.05481	6.4
185.09657	1.7
187.11111	1.0
189.02345	0.5
213.09151	3.6
213.10898	0.6
377.15756	1.1
377.23105	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01868	0.4
55.05498	0.4
56.96570	0.6
67.05500	0.5
69.07060	0.5
69.88559	1.2
77.03928	0.4
79.05493	1.1
81.03414	0.4
81.07056	1.0
84.08128	0.3
85.02923	0.5
89.11127	0.3
91.05487	6.9
93.07047	10.5
94.04187	0.3
95.04971	2.6
95.08598	0.5
98.97581	0.6
99.58897	0.3
103.05475	6.4
105.04534	0.9
105.07066	0.6
107.08537	0.5
109.06536	0.7
109.10163	0.7
119.01919	0.7
119.04861	0.4
121.06508	100.0
122.06858	1.3
133.10147	0.4
135.04436	0.7
135.11658	0.4
137.06003	0.9
145.10106	0.7
159.11740	0.5
161.03079	0.4
165.05478	12.6
207.06561	0.7
225.07674	1.3
239.09154	0.9
270.91153	0.4
336.21021	0.4
372.05362	0.3
377.23425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
53.21030	0.4
54.06515	0.3
55.05517	0.7
56.96579	0.8
67.05501	0.8
69.03445	0.4
69.31197	0.7
69.31596	2.8
79.05508	1.2
81.03413	0.5
81.07064	1.4
83.04967	0.4
85.02926	0.7
91.05483	7.2
93.07051	8.8
95.04966	2.2
95.08617	0.7
98.21590	0.7
98.97582	0.9
103.05478	6.8
105.03415	0.4
105.04527	0.7
105.07027	1.2
107.08620	1.0
112.11208	0.4
119.04917	0.5
119.08629	0.4
121.06517	100.0
122.06841	1.2
131.08531	0.6
133.10150	0.7
137.05991	1.0
143.08623	0.5
149.02321	0.4
154.17484	0.4
165.05486	13.6
202.83307	0.4
207.06601	0.9
212.74849	0.4
225.07690	1.0
239.09250	0.9
378.32480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03937	2.5
55.05500	0.9
55.38130	0.5
56.96558	1.1
61.02909	0.5
67.05498	1.3
67.16928	0.5
69.03458	0.6
69.07081	0.9
69.22399	5.5
79.05489	0.7
81.03413	0.9
81.07067	1.5
84.08157	0.9
91.05490	9.4
93.07056	12.0
95.04983	2.7
98.97594	1.0
102.04700	0.6
103.05482	9.0
105.04518	1.1
105.07042	1.3
107.08571	0.9
112.11237	0.9
119.08628	0.8
121.06516	100.0
122.06863	1.3
132.65085	0.6
134.95363	0.6
137.05998	1.3
149.06006	1.6
159.11749	0.7
165.05515	2.5
173.09555	1.3
180.08105	0.6
197.13210	0.6
208.49071	0.6
212.72679	0.6
336.74384	0.6
360.67963	0.9
377.23376	1.0
378.32297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.2
57.07074	3.0
67.05518	3.8
70.71852	1.4
70.72198	0.8
71.04992	2.1
72.99847	0.6
79.05484	0.9
81.07051	0.6
83.04976	4.0
85.06547	100.0
91.05521	0.7
93.07040	2.2
95.08604	2.3
97.06543	7.8
103.07581	4.8
105.07024	1.0
107.08633	0.9
109.10177	2.6
111.04448	0.8
113.09549	0.6
114.26296	0.7
121.10153	4.2
123.08056	3.0
126.90361	0.6
139.11176	7.1
149.09641	4.0
167.10687	18.6
243.73817	0.7
257.10089	3.2
296.55997	0.8
341.15817	0.7
359.17059	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	377.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03712	2.0
50.47420	2.4
53.03944	5.9
55.05523	10.9
57.07075	6.6
60.04827	2.6
67.05512	21.2
69.07082	12.3
70.84047	2.3
70.84394	7.0
71.04984	3.7
72.15147	2.5
79.05499	21.7
81.07065	72.8
81.78067	2.2
82.45769	2.9
83.04984	3.0
83.08605	4.7
85.42700	2.4
89.06034	5.1
91.05486	26.6
93.07050	50.2
93.68294	2.2
95.04988	21.0
95.08606	46.4
97.06514	7.0
101.26731	2.6
103.05462	3.1
105.07041	78.0
107.08609	25.8
109.06519	7.6
109.10149	16.8
117.06986	11.1
119.08590	47.3
121.06490	11.4
121.10149	31.7
123.08101	3.0
123.11716	100.0
128.06230	4.3
129.06998	5.2
130.07767	4.7
131.08582	18.6
133.10150	33.9
135.08096	3.0
135.11699	7.5
141.06989	5.4
142.07770	9.0
143.08560	17.1
144.09352	5.9
145.10150	34.9
147.11696	17.2
149.13280	5.6
155.08598	4.4
156.09369	4.0
157.10138	28.1
159.11691	25.0
161.09627	13.3
161.13193	5.8
163.11150	3.4
169.10182	5.3
171.11729	8.0
171.58014	2.5
173.13329	5.0
175.11157	5.0
175.14847	4.4
181.10129	4.7
182.10852	2.7
183.11742	4.7
185.13222	4.9
187.11192	6.6
187.14839	3.4
189.16408	2.8
193.10127	3.2
195.11938	6.7
197.13301	2.3
199.14883	5.2
203.17966	5.5
205.00688	2.4
209.13254	3.9
211.14830	4.9
213.16438	2.8
219.39940	2.4
223.14996	4.2
237.16449	4.2
255.17386	2.8
285.22232	4.2
377.28262	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	377.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01865	4.6
55.05516	16.9
57.07077	7.0
65.03945	4.0
67.05511	36.0
69.07074	54.4
69.96944	10.6
74.00127	2.9
78.53725	2.8
79.05495	34.7
81.07063	66.4
83.08656	13.5
83.09052	2.6
85.06585	2.9
86.61995	2.7
89.06028	9.0
90.68807	2.9
91.05487	63.0
92.05803	14.4
93.06163	4.8
93.07051	69.1
95.04977	52.2
95.08615	76.6
97.06531	11.9
98.45657	3.8
103.05508	3.2
105.07039	100.0
107.08606	45.7
107.97828	2.6
109.06532	14.3
109.10146	29.2
117.07042	12.2
118.53497	2.6
119.08587	97.9
120.08839	2.8
121.06492	16.7
121.10181	44.2
123.08049	5.0
123.11723	16.0
128.06252	6.8
129.07027	14.4
130.07791	4.1
131.08572	29.9
133.10146	46.6
135.08076	4.7
135.11702	12.2
137.13278	10.7
141.07027	5.0
142.07793	24.2
143.08580	26.0
144.09296	4.6
145.10141	50.3
146.07246	4.3
147.08128	4.4
147.11693	33.2
149.13264	5.6
153.05573	2.9
154.07796	3.6
155.08568	7.6
156.09297	6.1
157.10139	51.0
158.10927	4.0
159.08060	4.2
159.11716	38.1
161.09639	19.4
161.13278	12.0
163.11211	3.0
168.09435	3.7
169.10129	21.2
170.10825	3.0
171.11690	14.9
173.13232	19.1
175.11168	12.8
175.14879	17.4
177.16396	14.2
181.10100	7.2
182.10919	4.4
183.11697	12.0
185.13269	11.3
187.11206	10.9
187.14824	7.9
189.16386	7.1
193.10219	3.2
194.10899	4.5
195.12032	6.9
197.13281	12.4
199.14845	6.5
201.16452	8.1
203.17889	7.1
209.13292	5.9
211.14796	8.4
213.16553	3.2
223.14787	4.9
225.16508	5.8
227.17947	3.6
241.19577	3.2
243.21002	5.6
253.19409	4.0
255.20941	5.9
267.21060	6.2
377.28439	23.9
377.35120	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	377.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.01876	4.3
55.05516	100.0
57.07086	1.4
62.19389	0.7
67.05508	15.1
69.03441	0.7
69.07073	19.1
69.33026	1.9
69.33431	4.3
71.05014	2.4
71.08656	1.1
79.05495	12.2
81.03429	0.9
81.07066	28.7
83.05001	2.4
83.08627	50.6
85.06559	3.9
89.06062	1.4
91.05484	7.0
93.07053	13.2
95.05000	1.6
95.08606	14.0
97.06518	5.1
97.10205	2.5
99.08107	4.6
105.07040	6.7
107.08604	10.1
107.89609	0.7
109.06596	0.8
109.10171	4.0
111.08116	1.7
113.09721	1.1
115.07589	4.6
117.07014	1.4
119.08607	5.0
121.10140	10.4
123.08113	2.2
123.11768	2.2
125.09640	12.2
129.07063	1.0
131.08629	2.1
133.10149	4.7
135.08118	0.7
135.11713	13.1
139.11238	1.4
143.08636	2.0
145.10178	2.8
147.11684	7.0
149.13271	4.7
157.10248	0.8
159.11789	2.4
161.13272	3.6
163.11249	2.2
163.14928	3.1
165.12840	2.1
171.11784	2.3
173.13347	1.7
175.14902	1.3
179.14339	1.4
181.12265	1.0
185.13248	1.8
207.13741	0.9
209.15431	0.8
221.15453	0.8
231.21346	0.8
235.17006	1.3
241.19518	3.3
259.20532	5.5
277.21655	34.7
289.47525	0.7
295.22726	15.3
295.25739	1.2
359.29648	1.1
377.26556	1.7
377.30743	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.5
53.03936	5.2
55.01867	7.1
55.05516	100.0
57.03440	3.5
57.07067	4.4
67.05174	2.3
67.05511	40.2
69.07072	42.6
71.04990	8.0
71.08624	3.8
77.25420	1.4
79.05494	24.5
81.03427	2.0
81.07064	69.0
83.05003	7.7
83.08147	3.0
83.08627	58.6
84.99306	1.4
85.06550	8.4
85.10162	2.0
86.97742	1.5
89.06030	4.5
91.05489	17.6
93.07057	28.1
95.04980	2.7
95.08615	33.1
97.06522	9.1
97.10152	4.5
98.20699	2.4
99.08093	20.6
105.07034	17.6
107.08595	20.2
109.06487	4.2
109.10165	16.0
111.08082	3.8
115.07571	5.8
117.07024	4.6
119.08589	15.1
121.06535	4.0
121.10149	19.6
123.08053	4.2
123.11718	6.4
125.09644	20.9
131.08577	5.3
133.08632	2.5
133.10147	11.3
135.11691	16.9
137.06006	2.0
137.09685	2.0
137.13237	2.6
145.10121	8.8
147.11720	16.5
149.13220	6.4
151.11180	1.8
157.10239	1.9
159.11694	6.7
161.13245	5.1
163.14833	4.8
165.12753	2.7
171.11673	3.1
173.13268	3.7
175.14850	4.1
179.14297	3.0
181.15990	1.6
185.13347	2.1
187.14827	3.1
193.15768	1.8
195.12160	2.0
199.14848	1.8
203.17868	1.8
207.13824	1.9
207.17424	2.1
221.15404	1.8
241.19598	2.5
259.20581	6.5
275.20078	3.3
277.21655	30.0
293.21085	4.7
295.19656	2.2
295.22696	21.5
345.39713	1.6
359.29581	8.9
377.30557	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	377.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91547	4.1
53.03946	9.0
55.01866	12.6
55.05293	3.9
55.05511	26.1
57.07079	22.0
59.37048	3.9
61.63951	3.7
67.05508	74.1
69.07079	26.4
69.89933	22.0
71.04983	24.3
79.05495	73.1
79.31229	4.5
81.03416	6.2
81.07059	100.0
83.04983	15.5
83.08620	14.8
85.06537	11.4
89.06040	10.8
91.05493	67.3
93.07035	54.2
95.04977	21.6
95.08607	49.9
96.37540	4.3
97.06552	33.1
97.10183	6.1
98.21452	8.4
99.08124	6.3
105.07037	63.5
107.04928	6.0
107.08605	34.1
109.06538	30.7
109.10155	16.7
111.08086	9.4
117.07025	15.1
119.08583	45.4
121.06522	6.6
121.10133	32.8
123.08086	47.2
123.11763	7.6
125.09627	6.0
129.07036	7.3
131.08565	24.0
133.10132	32.5
135.11661	15.3
137.09641	11.2
143.08635	7.0
143.73579	4.2
143.77808	4.4
145.10138	24.9
147.11739	24.4
149.09624	7.7
149.13271	6.6
151.11177	15.0
153.57919	4.2
155.08603	4.5
156.09299	5.5
157.10146	9.5
159.11708	16.9
161.13232	10.9
163.11177	7.2
165.12784	13.4
167.05229	4.9
169.10155	6.4
171.11716	10.7
173.13339	13.0
178.29512	4.6
179.14227	7.7
183.11752	6.2
189.12813	4.5
195.12222	5.0
207.13849	8.3
239.15070	4.4
239.17926	9.5
247.20479	5.0
257.19067	18.3
275.20074	49.4
293.21158	8.8
331.62628	4.6
347.29410	5.3
359.29428	17.3
377.26852	6.0
377.30658	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12383	0.5
61.33035	0.3
65.03951	3.7
69.44167	0.9
69.44581	2.0
81.07095	0.7
83.96587	0.4
91.05467	1.0
92.05807	0.4
93.03413	6.1
93.07040	0.9
95.04966	1.9
95.96339	0.3
98.21404	0.9
103.05458	0.5
103.41141	0.3
107.04911	0.3
109.06548	0.4
111.04453	1.0
121.02886	10.9
121.03841	0.7
121.06519	14.4
122.03692	0.5
122.06843	1.0
125.28108	0.3
139.03912	1.2
141.07010	0.5
149.02353	25.1
153.05469	0.4
167.03416	37.0
168.03741	0.4
178.07777	1.0
179.08670	0.7
181.04973	100.0
182.05322	0.9
197.09702	0.8
199.06044	0.8
219.06529	0.7
223.06030	35.5
225.09158	0.8
241.08820	3.5
243.10060	0.4
251.07118	0.9
269.08127	6.5
287.09137	6.8
329.10211	3.9
361.12653	1.0
378.15271	0.6
378.32208	0.6
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
54.77251	0.4
55.01871	0.7
57.03421	0.8
61.02917	1.4
66.52866	0.4
69.03430	3.2
69.73565	2.0
71.04967	0.8
73.02918	0.9
77.03138	0.3
81.03410	1.5
85.02911	12.1
85.06541	0.9
86.06886	0.4
87.04465	0.5
89.03907	0.5
91.03976	0.6
91.05482	0.8
91.58184	0.4
97.02897	2.8
98.20688	0.4
98.97582	1.1
99.04434	0.6
107.04974	0.5
109.02850	1.0
116.98556	0.4
119.04916	0.9
122.03625	1.3
122.10780	0.4
127.03886	2.9
131.04987	0.6
135.04373	0.7
137.05983	100.0
138.06319	1.1
145.04959	4.0
147.04507	0.4
151.07504	1.2
163.03918	2.2
163.07487	2.2
164.04230	0.7
175.07550	0.4
180.08728	1.1
181.08607	18.8
216.12297	0.6
219.01965	0.5
227.15695	0.4
237.02885	0.5
246.94945	0.4
378.08905	0.9
378.14536	1.2
401.10852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14160	2.1
69.31869	2.3
71.04988	7.0
79.05506	3.0
81.07048	10.3
88.28300	2.2
90.79700	2.2
91.05477	3.8
93.07039	8.6
93.85194	2.1
98.71838	2.1
107.08604	6.4
111.87708	2.1
121.06505	10.4
121.07376	2.1
135.11699	8.6
153.12755	100.0
174.71584	2.4
341.25134	2.7
378.24725	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	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	1.1
57.26202	0.8
57.34540	0.8
69.57784	1.9
69.58210	4.0
70.06590	2.2
81.07078	1.3
85.02936	4.0
97.02901	1.9
98.20787	1.5
98.97578	1.8
109.11172	0.8
121.06492	1.6
122.06890	0.8
123.15530	0.9
127.03852	0.9
127.25761	0.9
147.04416	2.3
175.79352	0.8
181.54506	0.8
185.02528	1.9
185.04218	39.2
197.12833	1.5
217.04703	10.6
224.39375	0.8
233.39590	0.8
239.20918	0.8
289.11731	1.0
302.92624	0.9
319.42401	1.0
367.78668	1.1
379.10022	100.0
380.10468	1.7
389.14859	1.5
390.15161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	1.1
57.26202	0.8
57.34540	0.8
69.57784	1.9
69.58210	4.0
70.06590	2.2
81.07078	1.3
85.02936	4.0
97.02901	1.9
98.20787	1.5
98.97578	1.8
109.11172	0.8
121.06492	1.6
122.06890	0.8
123.15530	0.9
127.03852	0.9
127.25761	0.9
147.04416	2.3
175.79352	0.8
181.54506	0.8
185.02528	1.9
185.04218	39.2
197.12833	1.5
217.04703	10.6
224.39375	0.8
233.39590	0.8
239.20918	0.8
289.11731	1.0
302.92624	0.9
319.42401	1.0
367.78668	1.1
379.10022	100.0
380.10468	1.7
389.14859	1.5
390.15161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99136	1.3
51.67775	1.5
52.29943	1.4
53.03937	2.3
55.01881	2.5
55.05501	2.3
56.96567	16.1
57.03444	12.4
60.80271	1.4
61.02927	13.4
65.03954	2.2
67.05486	1.9
69.03432	29.6
69.63852	7.0
70.06602	2.4
71.04991	11.3
73.02921	16.4
79.05475	2.8
81.03410	6.5
83.04984	3.4
84.08155	1.8
84.96032	2.4
85.02911	59.9
85.06541	3.5
86.03243	2.3
87.04480	7.9
89.03922	9.4
91.03965	5.4
91.05482	11.9
95.04990	1.7
97.02900	26.3
98.97591	79.3
99.04446	5.8
101.00893	11.1
101.02383	1.5
102.01540	2.0
103.05489	3.5
107.04956	5.5
109.02900	5.1
110.01275	1.6
110.97586	11.2
111.04441	3.8
112.99136	4.8
113.00883	2.1
115.02454	1.9
115.03946	5.8
116.98622	25.3
117.03374	9.4
119.01919	18.1
119.04961	14.0
121.06548	3.1
124.99142	4.7
127.03902	11.3
128.98608	8.6
129.05484	4.5
131.00209	4.2
131.01932	3.5
131.04938	9.0
133.03471	4.7
133.04973	3.4
134.99672	4.4
135.04405	15.1
137.05984	45.6
138.03477	2.0
138.06313	8.5
139.02454	1.6
139.03899	2.2
143.00166	8.2
143.01913	8.7
144.98058	1.8
145.01714	2.7
145.02679	10.7
145.04974	7.9
146.02263	2.0
146.99680	4.6
147.04398	32.8
148.04828	3.0
149.01198	2.9
151.07550	2.1
155.01894	3.6
155.03001	2.2
157.03438	7.9
158.99678	18.4
159.05025	2.7
161.01274	11.3
161.02847	10.7
161.05803	2.5
163.03912	100.0
164.04311	9.1
169.03448	2.6
169.05316	3.9
170.99635	4.5
171.01404	2.7
171.05075	2.2
172.94524	2.1
173.01268	3.4
173.02931	3.5
175.00929	1.8
175.02768	2.2
175.04503	4.2
177.00728	11.6
179.02280	8.4
179.07027	11.2
181.03447	2.7
182.03427	3.8
182.99622	1.9
184.05812	12.3
184.56012	1.9
185.02972	1.7
187.04515	3.1
189.00708	4.8
189.02477	4.4
191.02339	2.5
191.04004	4.2
195.05072	4.9
196.94272	2.4
197.03244	3.7
197.06577	6.5
197.08180	1.9
199.02713	1.8
199.04489	2.5
200.04366	7.1
201.00760	4.3
202.05978	9.4
203.02237	1.6
203.04019	3.7
205.03792	2.1
205.05595	6.5
208.04971	13.5
214.95407	8.0
217.02049	2.0
217.03696	2.2
217.05620	7.0
219.01810	18.0
221.03326	9.5
221.05154	5.5
222.08456	9.0
222.58704	2.0
223.04781	2.0
223.06598	9.7
224.07059	1.8
226.06038	1.8
227.06750	2.0
228.97005	3.2
232.96498	10.7
235.02863	4.8
237.00502	2.1
237.02826	27.7
237.05347	2.2
237.06129	2.0
239.04356	22.9
241.07739	3.0
244.06450	1.6
245.05061	3.7
246.98018	2.4
247.04568	1.8
253.03853	5.5
255.03975	5.4
255.07275	2.4
257.05432	3.1
259.03058	4.7
259.06754	2.4
261.02905	2.5
261.08267	3.1
265.07718	5.0
269.03375	1.9
270.97968	2.0
277.03967	3.2
279.03937	7.0
279.06726	2.3
279.09476	2.6
280.07089	14.5
280.57248	3.7
281.07083	4.5
288.06879	7.7
288.10471	5.7
288.57263	2.3
289.07642	19.9
289.58032	3.1
293.07193	2.9
295.04752	2.6
298.05029	1.7
298.07959	7.2
298.58328	2.1
319.00208	22.7
319.09064	2.3
319.12308	9.2
321.04910	1.8
335.06476	2.6
337.01190	6.2
339.09271	9.8
340.09171	1.6
361.09933	1.8
379.10370	7.2
381.07089	4.5
395.08694	16.8
396.08911	3.7
399.08212	3.5
403.11288	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	379.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03450	1.2
61.02942	0.5
69.03413	1.1
70.06564	1.7
71.57504	0.7
81.03395	0.7
81.07034	0.7
85.02880	1.2
85.06550	1.4
86.09650	0.5
97.02888	0.8
98.97588	1.3
105.45525	0.6
119.08569	0.6
121.06488	0.5
124.05084	1.2
130.04967	0.9
137.05919	1.9
141.70967	0.5
145.04886	0.6
147.04411	0.9
149.04573	2.2
166.07278	1.6
181.08574	0.9
182.08891	1.4
189.06503	0.7
189.10017	0.8
200.10063	1.1
201.06494	2.0
202.07277	3.5
203.08035	3.2
204.08852	10.6
215.08095	1.6
216.08823	100.0
217.09624	5.4
218.10388	9.5
225.06364	3.8
226.07271	2.0
227.08086	1.4
228.08725	0.7
229.09671	1.3
230.10367	11.1
240.08820	24.7
241.09502	1.4
242.10376	4.6
244.08369	2.2
246.09900	14.4
258.09882	7.6
268.08307	1.2
283.09427	2.0
286.09375	33.3
315.12018	2.1
329.10114	1.4
333.13007	3.3
343.11600	1.2
347.11063	3.0
361.12570	7.0
379.13696	46.4
380.14029	0.9
387.78986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
65.03935	1.6
67.05518	0.7
69.46970	2.8
80.14539	0.3
80.20873	0.3
81.07061	0.7
91.05489	27.5
95.04982	6.4
109.06529	1.8
119.04951	16.9
121.06497	2.0
123.04443	2.2
137.05989	100.0
138.06343	0.6
147.04391	0.5
151.03918	9.4
161.05421	0.4
165.05486	11.7
175.03947	0.4
175.41589	0.5
193.04956	1.9
211.06125	1.0
217.61775	0.5
225.07568	3.0
309.48767	0.4
379.15488	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1388
Annotation	Jasmolactone A
Peak:m/z	Relative Intensity
53.03942	1.5
57.75576	0.3
58.77591	0.4
67.05513	0.4
73.69805	0.4
82.76978	0.3
91.04910	0.5
91.05489	9.3
93.07046	8.2
95.04979	1.8
97.02894	0.5
103.04795	0.6
103.05476	6.4
105.04512	0.8
112.84106	0.3
119.04939	2.1
121.06512	100.0
122.06829	0.7
137.05989	11.7
151.03902	0.8
165.05513	1.2
167.03545	0.4
181.04942	0.5
207.06450	0.4
223.05931	0.4
344.14615	0.3
378.25546	0.4
379.15305	0.8
379.25809	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1391
Annotation	CHEBI:68989
Peak:m/z	Relative Intensity
51.02378	0.3
51.54696	0.4
53.03946	0.4
65.03939	1.7
69.85213	0.7
69.85609	0.7
79.05489	1.0
81.07057	0.7
81.50335	0.4
91.05487	26.2
92.05826	0.5
93.07049	1.3
95.04977	3.2
97.02882	0.6
98.28316	0.4
98.97597	0.7
105.07074	0.6
107.08591	0.6
109.06553	1.7
109.10228	0.4
119.04955	15.1
119.08572	1.0
121.06519	6.8
121.10097	0.4
122.06851	0.7
123.04430	0.6
125.06232	0.4
131.08539	0.4
131.63916	0.3
137.05988	100.0
138.06334	1.0
139.03899	0.4
147.04399	0.6
147.11697	0.7
151.03917	7.5
165.05493	12.3
181.04999	0.6
189.66586	0.4
191.14165	0.5
193.04865	0.4
207.06570	0.7
217.12358	0.5
225.07619	1.4
255.87050	0.4
287.09009	0.4
379.15308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1392
Annotation	CHEBI:68989
Peak:m/z	Relative Intensity
53.03938	0.6
61.02709	0.2
65.03943	1.5
65.18555	0.2
67.05507	0.5
69.33215	1.9
79.05494	0.5
81.07045	0.8
91.05488	27.1
93.07075	1.5
95.04977	3.2
102.75591	0.2
103.05459	1.1
105.04506	0.2
109.06551	1.9
109.10210	0.2
111.04467	0.3
115.13788	0.2
119.04953	15.3
121.06515	15.3
123.04436	1.1
128.72978	0.2
137.05986	100.0
138.06310	0.8
139.03961	0.5
151.03926	5.0
165.05490	8.2
181.04932	0.4
185.02884	0.2
193.04951	0.7
225.07655	0.4
287.09216	0.6
301.62747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1393
Annotation	CHEBI:68989
Peak:m/z	Relative Intensity
55.05526	0.3
56.95300	0.2
56.96566	0.3
57.07080	0.3
65.03941	1.6
67.05499	0.3
68.63924	0.2
70.06608	0.5
70.18011	0.6
70.18364	0.3
74.02460	0.3
76.04010	0.3
79.05505	0.6
81.07059	0.8
83.04962	0.3
85.06540	0.3
85.90724	0.2
87.50840	0.2
91.05489	28.2
92.05817	0.4
93.07059	0.5
95.04974	1.7
97.06551	0.2
98.97609	0.4
102.03867	0.2
105.07056	0.5
107.08604	0.3
109.06523	1.5
109.10151	0.3
115.57735	0.2
118.90038	0.2
119.04954	15.3
119.08609	0.4
121.06510	1.1
123.00775	0.4
125.02376	0.6
127.07568	0.5
129.19650	0.2
131.08577	0.2
137.05988	100.0
138.06317	0.8
139.03915	7.9
145.10199	0.3
147.11792	0.2
151.03905	0.4
159.11745	0.2
165.05434	0.5
168.79141	0.2
169.11768	0.2
170.25830	0.2
175.07553	0.2
177.05513	0.3
180.06563	3.4
181.04913	0.2
183.06543	0.5
193.04979	0.3
211.06039	1.0
222.07643	0.6
225.07588	5.7
273.26038	0.3
317.28629	0.3
337.13840	0.4
357.04926	0.3
378.32181	1.2
379.10855	0.3
379.15018	2.9
379.32489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.139
Annotation	Jasmolactone A
Peak:m/z	Relative Intensity
53.03955	2.0
60.00729	0.4
65.03925	0.8
69.03410	0.8
69.85798	2.0
71.21478	0.4
77.03918	0.6
79.05475	0.9
81.03397	0.5
81.07048	0.4
83.04962	0.5
91.05487	11.3
92.05805	0.4
93.07051	9.4
95.04961	2.2
95.08603	0.4
97.02883	0.7
98.20856	0.6
102.04712	0.3
103.05473	7.0
103.62369	0.4
105.04516	0.7
109.06598	0.5
109.10146	0.4
111.04464	1.4
111.23176	0.5
117.27478	0.3
119.04950	3.6
121.06511	100.0
122.06844	1.1
123.04399	0.4
123.07051	0.3
131.08572	0.4
134.81975	0.4
135.04367	0.4
137.05983	17.2
138.06387	0.6
139.03922	0.9
149.02325	0.4
151.03900	0.9
153.05455	0.7
165.05513	1.5
167.03392	0.8
181.04970	0.9
190.25481	0.3
207.06479	0.8
209.04495	1.2
241.07053	2.7
335.13614	0.4
379.15405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1601
Annotation	Lamiol
Peak:m/z	Relative Intensity
55.01889	1.0
65.03943	0.7
67.05173	1.0
67.05506	12.4
69.35815	6.0
69.43760	0.7
72.08153	1.4
79.05502	4.8
79.33931	0.6
81.03403	0.8
81.07063	33.4
85.02892	1.4
85.06561	0.7
91.05474	1.9
93.07042	3.0
95.08598	1.2
96.62513	0.8
98.20735	1.4
105.07011	1.7
107.07877	1.0
107.08598	16.9
109.09464	1.1
109.10165	16.2
111.04487	0.9
117.07001	2.1
120.08113	0.8
124.03957	2.0
125.05998	1.1
126.30316	0.6
127.08696	0.8
131.19923	0.7
135.08064	30.8
141.10254	1.1
151.27879	0.6
153.09120	14.7
169.09790	0.7
181.08601	13.8
186.12401	1.3
199.09668	100.0
214.11868	0.9
217.10664	1.1
229.93544	0.8
278.53061	0.8
374.65173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00092	1.4
53.03945	10.4
55.01868	3.4
55.05501	4.4
57.03421	5.3
61.02935	8.9
67.05486	6.1
69.03080	1.9
69.03432	26.3
69.07072	1.8
69.46564	8.6
71.04990	4.5
73.02921	7.6
77.03928	1.9
79.05074	1.8
79.05502	32.3
80.76682	1.5
81.03446	9.5
81.06581	2.0
81.07063	41.0
83.04969	3.4
85.02431	3.3
85.02915	41.4
87.04478	8.5
91.03976	3.0
91.05489	41.7
93.07048	42.6
95.04946	4.4
95.08582	2.8
97.02902	19.2
97.06534	6.1
99.04447	6.4
103.05449	3.3
105.04514	1.7
105.06392	2.0
105.07043	30.4
107.08598	9.9
109.02890	5.0
109.06483	2.5
110.98341	1.4
111.04446	14.9
115.05449	8.3
116.06267	2.3
117.07030	37.8
118.07825	11.9
119.04984	2.4
119.08601	26.0
121.06525	5.9
125.05984	4.4
127.03944	12.6
128.06230	25.5
129.07024	30.2
130.07785	6.6
131.08578	48.3
132.09261	1.9
133.06534	1.9
133.10155	2.4
137.05965	10.0
141.06964	11.2
142.07806	21.0
143.08575	68.6
144.09370	2.2
145.04968	6.7
145.06454	3.6
145.10133	48.5
147.08032	3.7
147.11620	3.2
149.06004	5.5
155.08583	4.6
156.09363	40.4
157.06535	3.7
157.10139	29.3
158.07300	3.0
159.08095	1.9
161.05975	1.7
161.09578	2.6
163.07547	2.2
166.07831	2.3
167.66193	1.6
169.06509	3.2
171.07974	4.3
171.11703	100.0
172.12259	1.9
173.13326	11.2
175.07593	7.7
177.96892	1.6
181.10126	6.3
184.08881	6.5
189.09094	2.7
189.12811	9.1
194.42731	1.6
199.11209	30.0
217.12259	64.2
379.19400	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	379.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
53.34596	1.4
55.01864	2.6
55.42663	1.4
57.03432	3.3
61.02924	3.1
63.86177	1.6
69.03431	13.0
70.08784	1.5
71.04970	1.5
71.18237	2.6
79.05504	10.0
80.88729	1.4
81.03427	2.1
81.07066	16.1
85.02911	23.7
87.04480	3.6
91.03993	2.8
91.05476	26.3
93.07055	24.3
95.04985	4.6
95.05576	1.3
97.02899	8.2
97.06543	2.5
99.04444	3.3
103.05476	7.5
103.94508	1.4
105.07034	15.5
107.08617	3.9
109.02887	2.0
109.06581	2.0
111.04452	5.1
115.05450	1.9
117.07043	5.6
119.04984	3.6
119.08585	6.9
121.06519	100.0
125.05969	1.6
127.03951	4.8
128.06242	6.9
129.07013	10.7
130.07828	1.8
131.08583	42.3
137.04991	2.4
137.05992	19.9
141.06981	3.5
142.07790	8.0
143.08572	27.3
145.04999	2.6
145.10107	16.3
149.06044	4.1
156.09367	17.3
157.10149	7.7
165.05475	3.3
167.03413	2.0
171.11710	38.4
173.13283	11.2
181.05150	1.6
185.45535	1.7
189.12810	3.6
199.11223	13.7
217.12221	32.0
236.69264	1.6
243.90016	2.3
361.16339	2.1
379.24689	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	379.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12440	5.2
67.05511	10.1
69.07076	10.8
71.58858	8.9
79.05488	9.2
81.07055	16.4
91.05505	9.0
93.07056	14.0
95.08620	16.6
98.40574	5.0
105.07053	12.1
109.10176	5.1
119.08588	6.7
121.10151	8.4
126.14379	5.5
131.08672	5.0
145.10144	7.1
300.14346	5.0
379.26129	100.0
379.33713	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	379.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.2
55.05265	2.5
55.05517	18.5
57.07077	33.8
67.05508	19.4
69.07080	20.4
71.05008	3.8
79.05496	13.0
81.07062	34.1
83.04931	5.4
83.08611	8.1
85.06558	19.2
91.05479	11.1
93.07062	24.4
95.05012	3.7
95.08633	20.4
97.06510	6.9
97.10220	3.1
98.21503	7.0
105.07025	12.3
107.04905	2.7
107.08587	26.0
109.06539	12.9
109.10155	11.1
111.04465	7.3
111.08105	3.0
117.07024	2.9
119.08594	9.0
121.06532	2.8
121.10139	14.7
123.08038	12.2
123.11725	7.4
125.05988	3.9
129.06915	2.9
131.08580	6.6
133.10104	8.4
135.08066	30.8
135.11667	11.6
137.05983	31.7
137.13300	4.0
139.07620	4.9
147.11650	5.3
149.09586	4.8
149.13252	5.3
151.07489	3.4
157.10236	4.7
159.11728	6.4
161.13188	4.2
165.09087	13.7
165.12740	6.7
177.12775	11.4
209.15372	5.2
229.41643	3.5
263.20074	10.1
277.17868	3.6
291.19669	3.4
319.26276	5.7
347.25833	100.0
351.28885	23.2
361.27243	26.3
379.28513	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2847
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01860	4.9
55.05516	15.7
57.07080	26.8
57.48034	3.2
67.05510	18.6
69.03436	2.9
69.07075	27.4
71.05014	4.1
71.57066	5.2
79.05479	15.9
81.07064	30.6
83.04980	4.5
83.08624	9.4
85.06555	19.5
91.05485	15.7
93.07053	31.4
95.04935	3.6
95.08602	26.8
97.06511	7.3
97.07172	3.4
105.07046	14.3
107.08597	24.2
109.06514	17.4
109.10152	10.6
111.04428	7.2
111.08101	5.3
117.07045	3.4
119.08567	13.7
121.06507	8.9
121.10173	10.3
123.08105	6.7
125.05992	8.4
125.09609	5.2
127.30373	3.0
133.10124	4.2
135.07095	3.9
135.08069	29.9
135.11703	12.2
137.05980	26.3
137.09637	5.3
143.08601	3.6
145.10114	4.7
147.11646	5.0
149.09648	4.7
149.13251	5.2
151.07591	5.6
152.08342	3.3
157.10129	4.2
159.11688	6.1
161.09622	4.5
165.09180	15.2
165.12747	8.9
177.12750	13.6
181.97903	3.0
191.14322	4.0
192.39226	3.2
243.92332	3.1
263.20108	15.1
319.26306	7.1
329.24817	3.3
347.25803	100.0
351.29099	22.0
361.27423	33.2
379.28519	80.8
386.30692	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	379.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01876	13.8
55.05511	24.0
57.03427	1.7
57.07078	10.2
61.24571	1.6
65.03935	2.1
67.05505	52.4
69.03430	3.8
69.07072	71.1
71.04994	8.8
71.48133	3.1
79.05493	43.8
81.03407	3.2
81.07059	100.0
83.04998	9.9
83.08633	12.8
85.06551	13.3
85.10176	3.2
89.06002	1.8
91.05482	32.0
93.06467	3.2
93.07045	51.1
95.04965	5.3
95.08614	45.3
97.06517	16.2
97.10183	3.4
99.08095	17.6
104.58454	1.8
105.07034	29.3
107.08602	41.3
108.58004	1.9
109.06487	9.5
109.10152	14.1
111.08086	6.6
113.09637	1.7
115.07566	5.3
115.76840	1.8
117.07036	7.6
119.08588	23.7
121.06528	4.6
121.10151	44.5
123.08085	5.3
123.11711	5.7
125.09642	39.4
129.07010	4.8
131.08551	10.6
131.09393	1.6
133.10146	14.8
135.11705	48.8
137.09641	3.2
139.11197	3.2
143.08569	5.1
145.10144	11.0
147.11688	29.4
149.09543	2.0
149.13261	17.2
151.11205	4.4
157.10167	3.1
159.11729	8.9
161.13249	13.6
163.11250	4.0
163.14867	8.3
165.11589	1.8
165.12788	9.8
167.10703	1.6
171.11723	6.5
173.13335	5.2
175.14868	6.4
177.12833	5.7
179.14299	4.3
181.12230	2.8
181.15817	2.4
185.13277	5.4
189.12827	3.4
189.16466	3.2
191.14206	2.2
193.15880	3.2
195.13821	4.9
199.14894	3.4
203.14278	2.1
207.13821	5.2
209.15462	2.5
221.15367	4.0
231.21181	2.4
235.16951	2.7
241.19470	10.9
249.21967	1.9
259.20590	25.8
277.21637	92.8
295.22736	8.1
361.31033	13.3
379.32159	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	380.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	31.8
62.24598	0.3
67.05504	0.4
69.03421	0.5
69.61565	2.3
70.06588	0.4
70.97728	0.6
70.98124	11.3
71.95267	0.9
74.97609	0.4
79.05482	0.5
81.24682	0.4
84.96037	7.6
87.57458	0.4
88.07628	0.6
88.99136	2.0
91.05492	1.9
96.04424	0.4
97.02889	1.1
98.97586	11.9
100.99146	0.7
102.97070	0.7
104.23802	0.4
105.07004	0.6
110.97573	1.5
114.05542	1.2
116.98620	6.4
119.04951	2.5
121.06507	1.4
124.99096	2.4
126.97044	2.2
128.98636	1.0
132.99561	0.5
134.99675	2.0
136.99103	3.0
137.05988	0.6
138.05499	0.4
139.00653	1.1
140.98593	1.4
143.00183	4.9
144.98125	2.5
146.99632	0.5
147.04407	1.4
148.99127	0.5
149.48987	0.4
151.00644	3.3
152.98618	2.7
153.02225	0.5
155.00162	6.4
157.01746	0.9
158.01282	0.4
158.99663	5.7
160.99129	0.6
161.01237	3.1
161.02747	0.9
162.99284	0.6
163.00655	2.9
163.03903	1.7
165.02251	0.4
165.99457	0.6
167.00175	2.1
169.01720	5.0
170.99736	1.8
173.01234	3.6
173.13177	0.3
175.00685	1.3
175.03932	3.5
176.98666	1.7
177.00716	6.7
177.02248	1.6
178.01706	0.4
179.00174	5.0
179.03767	2.6
181.01718	10.9
182.01270	0.5
182.99577	0.5
183.03252	1.0
184.00420	0.9
185.01208	7.7
186.99197	0.8
187.01013	0.5
187.02806	3.4
191.00117	0.9
192.00957	0.7
193.01740	7.3
194.99663	2.7
195.01605	0.6
195.03328	4.0
196.97751	0.3
197.01219	5.5
197.04878	1.3
199.02803	14.4
200.02391	0.4
200.20082	1.0
201.00662	0.7
202.01610	0.6
203.00227	1.8
203.02243	11.1
204.03363	0.7
204.98079	1.2
205.01778	2.8
205.03731	0.6
206.99686	1.0
207.06526	6.8
208.02861	0.7
209.01228	2.1
210.02010	0.9
210.04337	0.4
211.02779	10.7
213.00696	2.3
213.04282	2.0
214.98701	0.8
215.02278	1.4
217.03911	1.0
218.99728	0.8
221.01222	5.8
221.03328	1.6
222.04425	0.8
222.99257	2.6
223.02768	7.8
225.00703	2.2
226.03871	1.0
227.02319	2.0
229.03883	2.3
231.01863	0.5
233.03366	0.5
234.04549	0.4
235.02794	1.2
237.00729	3.4
239.02278	12.4
241.00270	3.6
241.03844	9.3
243.01770	13.5
246.04288	0.8
251.02318	0.5
253.03879	6.9
255.01759	7.2
257.03381	4.4
259.01227	1.5
259.04922	0.8
261.02832	9.2
262.03821	1.3
264.01837	0.7
264.05478	0.9
265.00287	2.3
266.03329	0.9
269.03387	1.1
271.04904	2.2
273.02728	1.8
276.05460	0.8
277.03860	0.6
278.03323	0.9
279.01819	1.4
283.01202	2.6
295.04883	1.2
297.02811	14.1
301.02332	0.9
315.03854	24.1
320.04410	2.0
333.04959	6.9
338.05383	1.9
339.03848	23.6
356.06491	0.8
357.04941	100.0
358.05316	1.1
375.06015	4.8
380.06528	17.0
380.13406	1.7
380.24072	1.8
381.06934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04668	0.6
51.98807	0.6
52.51204	0.6
52.86108	0.8
53.55966	0.7
55.05503	1.3
57.03432	1.3
59.05004	6.4
65.03926	0.7
69.52091	2.5
69.52519	3.0
73.06547	1.1
73.33326	0.9
79.05495	1.6
81.03407	1.2
84.04530	0.7
86.12083	0.6
91.05473	2.5
92.04966	0.7
92.05830	0.7
106.06547	2.1
107.07328	0.7
116.05049	0.8
119.04913	1.3
120.04413	1.3
121.06492	0.8
131.04933	1.1
132.04460	1.7
133.05167	0.8
134.05992	5.5
135.04384	0.8
137.05981	2.9
138.06325	2.3
144.04453	2.6
150.05457	1.1
150.09184	0.9
157.77632	0.7
160.03938	11.0
162.05499	17.3
175.03920	0.9
176.07076	4.9
178.04991	9.3
188.03433	1.7
192.06549	14.9
194.08138	54.1
206.04549	1.5
206.79872	0.7
220.06049	4.0
236.06950	0.8
236.09303	2.2
238.07018	1.3
260.09186	0.8
276.12305	2.0
278.10233	6.9
292.11798	18.5
294.13370	34.3
306.09753	1.1
320.11328	10.4
336.14496	10.9
338.12332	11.2
380.13409	100.0
381.13647	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	380.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
56.96555	1.1
61.02937	0.6
64.11405	0.6
64.65174	0.6
69.03431	2.5
70.06609	0.7
71.04980	0.7
71.58424	0.6
71.95240	0.6
73.02927	0.7
79.05479	0.9
81.07061	7.0
84.08170	0.8
85.02912	5.6
85.06555	0.6
86.63233	0.5
87.09827	0.5
91.05499	1.2
95.08607	0.6
97.02896	2.1
98.97592	2.9
99.04450	0.8
99.59703	0.6
105.42828	0.7
109.06535	4.5
109.10165	1.3
116.98608	1.4
117.53571	0.6
121.02832	0.7
121.10172	1.0
127.03900	0.6
131.04977	0.6
133.06471	0.6
135.04413	1.2
137.05989	100.0
138.06343	1.3
145.04912	1.1
158.99644	0.7
163.03926	1.1
165.05553	3.0
177.05504	1.2
178.08089	0.5
183.06548	55.0
183.13759	0.8
201.07658	0.8
201.11229	2.4
204.93164	0.6
219.01773	0.6
237.02861	1.0
331.04330	0.6
380.13721	0.7
381.11533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62968	0.2
53.03954	1.4
53.50002	0.2
67.05513	0.3
67.32265	0.2
71.04111	0.3
71.04433	0.3
71.04997	0.7
71.25683	0.3
77.03925	0.5
79.05506	0.2
79.83057	0.2
81.07059	0.8
88.49976	0.3
91.04964	0.4
91.05493	4.9
92.05812	0.6
93.07056	8.9
95.04987	3.0
100.02114	0.2
103.05480	5.3
105.04513	0.5
107.08624	0.5
119.04955	0.4
120.05289	0.4
121.06518	100.0
122.06870	1.2
123.04447	0.6
133.35030	0.2
135.11687	0.8
137.05994	2.4
138.06334	1.6
151.03894	2.4
153.12740	3.4
165.05511	3.6
193.05040	0.4
225.07848	0.3
261.90250	0.3
380.14944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
56.96572	6.8
65.03955	1.3
66.48357	0.5
67.05492	1.1
69.03421	0.8
70.70438	1.0
70.70815	1.1
70.98130	1.5
77.03918	0.8
81.07033	1.2
84.04507	0.8
84.96040	1.2
88.80513	0.5
89.91375	0.6
91.05494	9.1
92.05833	1.0
93.07054	8.7
95.04984	3.9
95.08600	1.1
97.02895	4.1
98.21426	0.7
98.97595	3.4
103.05491	5.5
105.07047	0.6
114.05523	2.6
114.08144	0.6
116.98615	2.1
119.04948	6.0
119.08576	0.7
121.06517	100.0
122.06852	0.8
123.04410	0.6
123.11716	0.7
134.99641	1.1
137.06003	4.7
138.05479	1.7
138.06377	2.2
140.60126	0.6
143.00227	0.8
144.98140	0.8
145.02943	0.8
145.10101	1.0
147.04419	4.3
147.53477	0.7
151.03917	2.7
155.00156	1.1
156.06628	0.8
158.99704	1.4
159.11789	0.6
161.13283	0.6
163.00652	0.7
165.05475	4.3
169.01674	0.8
170.99539	0.9
175.03938	7.4
177.00705	1.8
177.05482	1.9
179.00192	0.9
181.01782	1.5
185.01251	0.7
187.02765	1.2
191.07089	1.8
193.01768	1.4
195.03429	0.9
195.05664	0.6
197.01205	1.2
199.02838	1.9
203.00252	0.7
203.02304	1.8
207.06557	10.1
211.02759	2.1
223.02750	0.9
239.02406	1.6
241.03862	1.3
243.01912	1.0
253.03844	1.4
254.36914	0.7
255.01863	0.9
261.02884	2.2
262.27301	0.6
297.02835	2.5
315.04053	3.6
333.04907	1.0
339.03922	2.6
357.04990	11.8
375.05997	0.7
380.06607	2.4
380.13550	4.0
381.24207	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21613	0.8
53.03945	0.9
56.96560	4.8
58.05997	0.8
59.67782	0.8
62.17484	0.8
64.58844	1.0
67.05503	1.3
70.98109	1.9
71.27856	1.3
81.07040	0.8
84.96023	1.6
91.05482	4.9
93.07044	3.9
95.04967	23.7
98.97570	3.0
103.05473	1.7
109.06515	1.2
119.04940	4.0
121.06509	40.7
123.00825	1.3
123.04430	8.3
135.04378	0.9
137.05998	4.0
138.05428	1.1
143.00145	1.1
147.04387	2.8
151.03905	47.1
155.00162	1.0
155.69833	0.9
156.54939	0.8
165.05479	100.0
166.05692	0.8
175.03897	3.1
177.00761	1.0
179.00139	1.5
181.01755	2.1
183.06544	1.8
185.01180	1.3
193.01709	1.3
193.04999	9.2
199.02747	1.6
199.97917	0.8
207.06563	5.3
211.02884	1.3
221.01311	1.0
222.99139	1.5
225.07565	15.9
232.71675	0.8
237.00766	1.1
239.02292	1.9
241.03770	1.2
243.01759	2.2
255.01804	2.1
261.02805	1.4
271.05096	0.9
271.09500	2.7
297.02896	2.4
315.03976	2.1
331.11746	1.1
333.04889	1.8
339.03815	2.2
357.04938	14.8
380.06378	1.8
380.13452	1.2
380.20160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
57.03442	2.0
64.76180	1.1
67.05518	11.3
69.03435	4.2
69.07069	2.3
70.06589	3.1
71.05003	5.2
71.58502	1.8
72.08166	2.0
73.02888	1.5
79.05502	8.0
81.03462	1.9
81.07062	9.6
83.04964	3.1
84.08171	1.4
85.02909	8.8
85.06550	4.0
85.16842	1.1
85.18573	1.2
86.06909	1.5
86.09672	1.9
87.04477	4.8
91.05488	12.5
93.07064	14.3
95.04974	12.5
95.08615	45.4
97.02888	3.2
98.97569	3.2
107.08620	3.8
109.06524	2.7
109.10175	8.3
109.10812	1.5
110.97594	1.6
111.08085	1.5
115.03912	1.8
117.06998	2.8
119.04938	3.5
119.08591	25.5
119.83903	1.3
121.10194	1.4
123.08116	1.6
127.03922	3.5
127.07569	2.0
131.04977	1.3
137.05966	6.4
137.09621	23.1
147.04449	6.2
147.08072	4.5
148.04761	2.8
153.09151	1.6
155.10670	3.6
163.03972	1.7
165.09131	100.0
169.08580	1.8
174.66739	1.3
183.06577	2.2
183.10204	16.2
201.11234	84.9
380.10373	4.0
387.61453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05055	2.1
56.96584	4.6
57.03437	2.7
59.05034	1.9
61.02937	3.6
67.05508	5.6
69.03436	13.8
70.06593	3.1
71.04981	2.0
71.57930	3.5
72.08167	2.6
73.02896	2.3
73.89236	2.0
74.06081	2.2
75.04479	4.2
79.05495	9.2
79.15818	2.1
81.03422	6.4
81.07065	5.2
83.04979	2.1
84.08154	15.0
85.02915	26.4
85.06542	5.2
87.04475	4.4
91.03958	2.7
91.05499	15.5
93.07044	7.5
95.04974	2.8
95.08627	6.9
97.02907	13.2
97.06550	4.2
98.97601	18.9
105.07040	2.9
107.04953	6.3
107.08623	25.7
109.02909	3.6
109.06527	6.0
109.10163	17.7
110.07229	2.0
110.97568	4.3
112.07520	2.2
116.98605	5.8
117.03491	2.1
119.04898	3.1
119.08588	35.3
120.08097	4.7
121.02882	4.5
121.10151	3.1
126.09158	5.4
127.03936	7.5
128.98582	4.2
131.04961	3.7
135.08058	4.7
136.07597	3.2
137.06000	24.3
137.09596	14.5
141.05453	2.7
143.00114	2.6
144.10199	9.0
145.02925	3.5
145.05000	3.7
147.04378	4.0
153.09111	20.7
158.99747	3.3
160.08098	2.1
163.03873	10.4
165.05528	4.6
165.09149	19.8
167.07019	2.2
172.09705	15.3
177.00749	2.5
177.05539	2.9
183.06578	15.8
183.10257	8.3
200.09189	22.9
201.11237	100.0
218.10248	4.5
219.01768	7.3
229.06339	2.5
237.02876	6.2
310.05508	3.2
376.40759	2.4
380.16525	3.3
380.22479	2.6
383.07260	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	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28156	1.9
55.01881	6.5
55.05520	2.3
56.96561	7.3
57.03442	4.8
59.30070	1.7
65.03929	4.2
67.05167	3.9
67.05508	49.8
69.03439	7.2
69.07070	21.9
69.36425	15.9
70.06622	1.7
70.53686	1.6
71.04978	10.7
73.02907	2.0
79.05498	17.2
81.07056	9.1
83.04985	2.6
83.08625	3.2
85.02430	2.7
85.02911	47.1
87.04466	26.6
88.85144	2.2
91.05483	31.5
93.07063	13.6
95.04971	6.6
95.08611	3.9
97.02886	8.0
97.06547	4.1
98.97598	13.1
99.04468	35.4
101.02377	7.1
103.05497	3.8
105.07041	39.3
105.64590	2.0
107.04975	4.1
109.02851	2.3
109.06535	4.6
109.10172	6.6
110.97594	3.3
111.04438	2.6
115.03931	37.9
116.98630	6.1
117.07008	6.8
119.04950	1.9
119.08585	36.4
121.02870	5.1
121.06509	16.5
123.04440	10.2
123.08060	3.6
127.03954	4.7
128.98651	2.5
129.07002	8.6
131.00137	2.6
133.05019	3.9
135.04433	2.3
137.05981	50.5
137.09628	23.0
139.03941	2.0
147.04391	6.9
147.08055	28.4
151.03954	4.3
155.10645	1.8
156.85645	2.3
158.99669	3.0
161.01276	2.5
163.03880	8.3
165.05486	3.2
165.09125	66.4
169.04967	13.7
181.01971	1.9
183.06563	37.7
183.10173	100.0
188.07104	3.3
190.60880	2.0
193.54980	1.9
201.07605	23.8
201.11343	3.0
213.04324	3.0
219.01794	4.8
222.54889	2.0
237.02736	5.2
243.79202	1.9
245.52744	1.8
268.80417	1.9
279.05502	2.8
305.35175	2.2
339.07565	15.7
357.08597	10.9
381.08600	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	380.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71179	0.6
55.01870	1.9
55.05496	1.4
55.81644	0.7
57.03442	1.1
61.02911	1.0
67.05201	0.8
67.05509	7.3
67.61966	0.8
69.03429	3.5
69.07055	1.7
70.06585	1.5
70.81048	1.5
71.04995	14.4
73.02935	1.2
77.39802	0.6
79.05490	6.5
81.03411	1.6
81.07064	7.6
82.57375	0.8
83.04958	1.0
83.08623	1.4
84.08132	1.7
85.02493	0.9
85.02913	9.8
87.04502	1.2
91.05487	11.6
93.07050	13.0
95.04937	0.9
95.08611	15.0
95.34458	0.6
97.02905	5.8
97.06541	1.5
98.97628	1.1
99.04431	1.2
99.08110	1.2
101.02386	7.0
105.07027	6.9
105.80627	0.8
107.08601	7.2
109.02854	2.6
109.06515	1.8
109.10159	8.9
111.04434	1.1
119.04961	2.0
119.08586	34.9
121.06504	2.1
121.10147	3.9
123.08049	1.6
123.11728	1.4
127.03928	1.7
130.06538	3.4
133.10130	1.6
137.09625	34.8
137.13231	2.3
139.11189	1.2
144.08098	1.1
145.04988	1.0
147.04457	4.3
147.08051	3.8
147.11702	8.2
149.09604	2.0
151.11188	2.2
155.10670	2.9
165.09155	4.9
165.12767	33.9
167.10645	2.0
169.12247	1.6
182.05989	0.8
183.10167	4.2
183.13803	13.1
185.11720	4.6
187.89090	0.8
190.08620	1.2
201.11229	100.0
202.11653	2.3
236.06902	0.7
307.10449	1.1
311.05447	0.7
327.14316	1.9
337.05267	0.7
345.15341	0.8
380.17297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21599	4.4
52.89546	4.1
54.41323	4.5
55.05514	6.9
59.05001	11.5
67.05473	3.9
69.07074	5.3
69.99922	11.4
70.00336	9.4
74.79932	4.2
81.07054	20.7
85.02864	4.2
86.06046	6.3
86.33291	4.4
93.07040	13.2
95.04961	4.6
95.08595	17.0
98.20786	4.3
105.07040	11.0
107.08601	6.3
119.08567	6.4
121.06492	30.9
121.56174	4.1
131.08597	8.5
133.10168	5.4
135.07945	4.5
137.84233	4.5
139.49223	4.0
145.10109	12.7
158.60349	5.0
159.11722	6.1
165.09145	4.2
177.09073	4.7
187.14864	6.2
191.10638	7.1
211.14731	4.9
245.19151	4.2
247.14490	8.3
247.16946	100.0
259.20639	37.9
282.43692	4.5
287.20117	42.2
317.21173	25.4
335.22058	6.3
380.27814	9.9
402.93121	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	381.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	41.7
67.05482	3.5
69.03426	5.2
70.06581	4.9
71.05000	6.5
71.56812	4.9
72.08154	5.5
75.79719	2.8
81.03437	3.7
83.04977	4.8
83.33228	2.9
84.96045	21.4
85.02906	7.0
87.04482	4.7
88.02237	5.8
91.05499	4.9
93.07037	3.5
95.04968	26.6
97.02889	5.6
98.97590	100.0
99.05537	4.5
100.02245	6.9
105.07059	3.7
110.97567	44.8
112.99141	11.9
113.06001	3.9
114.10300	11.0
116.98624	36.9
119.08594	4.2
121.06552	7.6
123.08067	8.6
127.02132	3.6
128.98621	42.4
131.00204	6.9
134.99686	10.2
137.09613	4.0
143.00180	10.8
144.98131	5.4
145.06146	6.4
146.99661	13.0
149.09531	3.6
158.99657	8.8
161.01227	12.0
162.99167	3.3
165.05463	8.1
165.09116	8.2
167.10686	4.1
170.99672	8.2
177.00735	11.9
181.01790	3.7
183.10262	16.0
184.10539	8.3
185.11763	3.2
189.00778	4.3
193.01736	6.7
195.03325	6.3
201.00659	4.1
201.11230	11.5
202.11484	6.4
203.04854	5.0
203.07143	3.1
211.02773	4.0
213.04344	6.7
219.01758	57.8
219.03641	4.9
221.08160	5.1
232.46756	3.0
237.00484	6.2
237.02727	82.4
242.03401	3.2
255.01698	18.0
256.00024	3.0
261.33578	3.7
273.02811	15.8
273.09177	3.9
273.85370	3.6
327.13748	5.7
333.03210	4.3
339.07529	61.5
345.14624	4.0
349.22833	4.0
357.08591	48.7
381.04819	41.6
381.09335	6.4
381.16910	6.5
389.71112	3.4
399.05878	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88180	2.0
64.15861	2.1
68.82385	2.2
70.14098	9.2
70.14450	3.3
77.41496	2.2
80.32391	2.1
94.74110	2.0
201.01596	3.6
304.85748	2.2
357.31131	2.5
381.07953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.6
56.96567	19.9
57.03424	5.4
59.58615	4.2
61.28857	4.0
66.84348	3.9
69.03432	9.5
70.06583	8.9
71.05002	9.2
71.57493	5.2
72.08141	15.0
73.46283	3.9
77.36140	3.8
81.07021	7.4
84.08128	4.8
84.96044	11.7
85.02888	11.5
85.06539	10.4
86.09756	4.9
91.05483	9.8
93.07036	6.4
95.04944	5.1
97.02914	5.4
98.97593	64.2
102.96978	3.8
103.05439	11.4
105.07026	6.9
107.08608	4.8
109.06564	4.3
110.97581	35.1
114.10310	25.1
115.05460	4.4
116.98620	16.5
119.04919	6.9
120.08131	7.4
127.07572	4.6
128.98616	32.3
131.04933	38.3
131.96262	4.1
134.99667	5.8
135.04364	6.0
137.06007	51.0
143.00169	5.7
146.99667	14.1
151.07521	6.7
163.03893	20.0
163.07579	14.3
165.05518	11.3
167.07091	5.2
170.99684	8.2
175.07562	28.7
177.00569	5.5
177.49925	4.2
183.13992	4.4
187.07558	11.9
189.00632	6.5
189.05458	7.3
201.00801	6.3
204.00662	5.6
206.15456	8.3
219.01785	56.5
222.02002	10.8
237.02820	100.0
237.05167	6.9
240.02844	4.0
255.03854	4.6
294.34607	4.0
363.07324	5.9
363.15771	5.4
381.09454	16.9
381.12445	9.1
381.16843	11.7
399.09824	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	381.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
53.04357	0.5
55.05502	0.8
57.24493	0.4
68.01945	0.4
69.03421	1.2
69.98997	2.3
70.06592	1.0
72.08154	0.7
79.05495	1.0
81.03408	0.6
81.07047	1.0
83.04958	0.4
84.04465	0.5
84.08139	0.8
85.02898	1.2
85.06590	0.5
91.05483	2.9
93.07045	7.1
95.04971	1.4
95.08605	0.6
97.02893	1.4
105.07043	1.7
107.08618	1.2
114.10292	0.8
119.04952	1.6
119.08577	1.0
120.08138	0.6
121.06490	1.3
121.10162	5.4
127.95334	0.4
131.08563	1.3
133.06447	0.4
133.10086	0.5
137.05988	1.6
137.79361	0.4
143.08556	0.6
145.06566	0.5
145.10126	0.9
147.04388	1.2
149.09637	0.6
151.07603	0.5
159.11708	1.2
161.13202	0.6
162.12759	0.7
164.07068	0.5
165.05481	1.0
175.03952	1.5
179.03203	0.9
179.07068	0.5
189.09044	0.5
197.04224	3.9
201.16397	2.0
207.06544	2.2
207.09874	2.2
208.13246	2.7
215.05244	3.7
219.17485	1.2
274.95895	0.5
285.08664	0.6
331.09259	0.6
361.10770	0.7
363.14136	5.8
381.15244	100.0
382.14670	0.9
382.19409	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18730	0.4
53.03928	0.6
55.05500	0.5
61.02929	0.5
67.05486	0.6
69.03423	1.4
69.07063	1.0
69.47634	1.7
69.48045	1.1
70.06586	1.4
77.79015	0.4
79.05500	0.8
81.07079	2.1
83.47993	0.4
84.08163	0.5
85.02911	3.0
91.05468	2.8
93.07054	4.0
95.08618	1.0
97.02867	0.9
98.21469	0.6
99.53559	0.4
105.07018	1.6
107.08600	1.1
109.10147	0.8
119.04974	0.6
119.08582	1.7
121.06490	0.6
121.10152	3.3
129.07010	0.5
131.04955	0.5
131.08572	0.8
133.08376	0.4
133.10155	0.7
135.11681	0.8
137.05937	2.2
143.08615	0.8
145.04932	0.5
145.10120	1.9
147.04329	0.5
159.11705	1.5
163.04092	0.5
163.11229	0.6
165.05487	0.9
171.08115	0.6
177.05388	0.5
179.03233	0.6
189.08853	0.9
197.04182	2.2
199.09550	0.6
200.10059	0.5
201.16399	2.0
207.09949	4.9
208.13329	1.5
215.05249	1.1
219.10176	1.4
219.14020	0.5
219.17482	1.9
273.51596	0.4
363.14224	6.0
381.15213	100.0
382.18723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1524
Annotation	Trichogoniolide
Peak:m/z	Relative Intensity
52.18730	0.4
53.03928	0.6
55.05500	0.5
61.02929	0.5
67.05486	0.6
69.03423	1.4
69.07063	1.0
69.47634	1.7
69.48045	1.1
70.06586	1.4
77.79015	0.4
79.05500	0.8
81.07079	2.1
83.47993	0.4
84.08163	0.5
85.02911	3.0
91.05468	2.8
93.07054	4.0
95.08618	1.0
97.02867	0.9
98.21469	0.6
99.53559	0.4
105.07018	1.6
107.08600	1.1
109.10147	0.8
119.04974	0.6
119.08582	1.7
121.06490	0.6
121.10152	3.3
129.07010	0.5
131.04955	0.5
131.08572	0.8
133.08376	0.4
133.10155	0.7
135.11681	0.8
137.05937	2.2
143.08615	0.8
145.04932	0.5
145.10120	1.9
147.04329	0.5
159.11705	1.5
163.04092	0.5
163.11229	0.6
165.05487	0.9
171.08115	0.6
177.05388	0.5
179.03233	0.6
189.08853	0.9
197.04182	2.2
199.09550	0.6
200.10059	0.5
201.16399	2.0
207.09949	4.9
208.13329	1.5
215.05249	1.1
219.10176	1.4
219.14020	0.5
219.17482	1.9
273.51596	0.4
363.14224	6.0
381.15213	100.0
382.18723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1709
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01885	1.8
55.05517	1.4
55.57407	1.0
56.96566	6.6
57.03424	2.2
57.07069	3.2
59.04981	2.5
61.02925	2.4
62.19850	0.9
67.05497	3.7
69.03429	7.4
69.07068	3.3
70.02947	1.5
70.99101	2.7
71.04992	2.1
72.04513	7.5
72.08145	1.2
72.55912	1.2
73.02926	3.4
74.02424	1.2
79.05486	2.3
81.03428	3.6
81.07037	1.8
83.04976	2.0
85.02907	20.5
85.06554	4.8
86.03240	1.6
87.04457	1.7
90.05556	52.6
91.03956	1.8
91.05488	3.7
95.04974	3.9
97.02893	9.7
98.02435	7.2
98.97592	11.2
99.04472	1.3
100.03970	1.3
102.09322	1.2
103.07587	3.0
105.07040	1.3
107.04914	1.3
107.08553	2.5
109.02850	1.5
109.06509	1.5
109.10165	1.2
110.07172	1.4
110.97573	2.1
111.08110	1.2
113.06049	1.4
116.03453	7.3
116.98625	5.9
119.04910	2.2
124.07603	8.2
127.03918	6.1
128.02226	1.0
128.98596	2.9
132.51616	1.1
133.06506	2.0
136.07585	1.5
137.05980	10.0
138.06236	1.1
142.08643	3.7
143.00209	1.3
145.04953	4.3
146.99634	1.2
154.99878	1.0
158.99637	5.1
163.03911	1.4
166.08650	1.2
167.07048	2.6
168.76447	1.1
174.11197	1.3
177.00688	3.0
177.05486	1.1
178.03906	1.5
184.09697	10.8
187.04404	3.1
189.00774	1.5
193.01768	1.5
202.10759	17.5
208.04956	1.8
211.02805	1.5
217.05534	1.1
219.01750	3.1
220.11809	100.0
224.06352	8.4
224.56659	1.4
229.03734	1.6
233.06735	6.5
237.02806	4.0
241.03867	1.5
253.03879	1.3
273.06299	1.6
276.07401	1.8
285.06345	1.4
292.08829	5.6
355.06985	3.7
356.06876	1.8
373.07977	4.5
374.08487	1.9
382.11267	3.0
382.19260	1.7
383.09351	4.6
383.13486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09042	0.5
53.03951	0.9
55.01877	0.7
62.50986	0.5
87.04463	2.1
88.01031	0.5
91.05495	4.3
93.07044	7.7
95.04966	1.9
97.15589	0.5
98.20724	1.3
98.21440	2.2
101.68860	0.5
103.05481	4.2
105.04523	0.7
105.07042	0.6
106.93964	0.5
109.85103	0.6
121.06509	100.0
122.06830	1.9
146.96779	0.5
149.06024	0.9
177.05516	1.4
187.11070	0.7
209.08064	2.2
215.10747	0.6
227.09164	7.3
228.90636	0.5
229.11879	0.8
347.14932	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09042	0.5
53.03951	0.9
55.01877	0.7
62.50986	0.5
87.04463	2.1
88.01031	0.5
91.05495	4.3
93.07044	7.7
95.04966	1.9
97.15589	0.5
98.20724	1.3
98.21440	2.2
101.68860	0.5
103.05481	4.2
105.04523	0.7
105.07042	0.6
106.93964	0.5
109.85103	0.6
121.06509	100.0
122.06830	1.9
146.96779	0.5
149.06024	0.9
177.05516	1.4
187.11070	0.7
209.08064	2.2
215.10747	0.6
227.09164	7.3
228.90636	0.5
229.11879	0.8
347.14932	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01870	3.7
55.05516	4.9
56.96559	3.0
57.03426	5.0
61.02916	2.3
65.03910	1.9
67.05501	5.6
69.03434	3.9
69.07059	7.0
70.74535	4.9
71.05005	8.5
79.05506	13.1
81.03470	1.9
81.07067	8.0
83.04990	31.6
85.00111	1.5
85.02923	15.2
85.06522	3.7
87.04465	6.1
91.05468	5.0
93.07053	19.0
95.04974	5.4
95.08605	7.1
96.75832	1.7
97.02879	4.5
97.06553	12.9
98.97588	2.2
99.68352	1.9
105.07066	4.9
105.41228	1.8
107.08601	43.9
109.06522	3.8
109.10155	4.4
111.04393	3.2
113.06018	45.4
115.03916	3.3
121.10149	31.0
123.08093	4.4
125.06011	9.8
125.09648	23.9
131.07048	7.7
131.08588	14.2
137.09618	6.9
139.11180	18.0
145.04958	1.9
147.04457	6.0
149.09627	43.5
149.10744	3.4
155.10703	3.7
157.12212	2.9
162.12511	1.9
162.56586	1.7
167.10698	86.9
185.11745	100.0
203.12793	89.7
217.98590	1.7
219.01709	1.9
240.04294	1.7
290.62344	1.9
304.08820	1.8
340.08096	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	382.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.05493	0.8
55.43563	0.6
56.80532	0.5
56.96563	0.9
57.03427	1.2
57.46933	0.6
67.05516	1.3
69.03423	1.9
69.07074	15.9
70.05975	2.7
71.04991	1.4
73.02917	1.8
79.05499	4.9
81.03409	0.9
81.07046	2.8
83.04970	2.7
85.02911	15.2
86.80733	0.6
89.89736	0.6
91.05474	0.9
93.07061	4.5
94.77078	0.5
95.08606	1.7
97.02876	1.7
97.06566	1.2
98.97589	0.7
99.04467	8.5
101.02385	6.3
105.07029	6.4
107.08601	31.8
111.04455	16.5
121.06532	1.0
121.10161	5.2
123.08081	1.4
125.05968	0.8
125.09649	1.5
129.05490	0.9
129.13246	0.6
131.08580	3.3
132.18266	0.6
139.11188	9.2
141.09163	0.6
149.09631	17.3
167.10695	22.5
169.12276	1.8
185.11745	100.0
186.12044	1.3
187.13249	0.7
195.07802	0.6
198.77698	0.7
210.05804	0.7
217.37689	0.6
280.14182	0.6
288.14087	0.8
332.12616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.3
57.03416	1.0
60.01892	0.9
60.05606	0.7
61.02922	1.1
67.05503	1.8
68.51105	0.7
69.03417	1.3
69.07072	18.9
69.75747	4.1
71.04984	1.1
73.02908	1.8
79.05490	5.6
81.03429	1.2
81.07043	1.2
83.04987	2.8
85.02917	16.1
85.89894	0.8
91.05479	1.0
93.07050	4.5
95.08598	1.9
97.02914	2.0
98.21400	1.1
99.04449	7.7
101.02390	9.2
105.07042	5.8
107.08601	33.8
111.04451	15.5
112.30927	0.9
118.60117	0.8
121.10162	7.0
123.08044	1.0
125.06017	1.8
127.77248	0.8
129.05498	1.5
131.08585	4.2
139.11197	11.1
140.08540	0.9
149.08415	1.1
149.09625	26.1
167.10693	26.5
169.12296	1.2
185.11745	100.0
206.29778	0.7
222.11296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84002	0.9
55.01861	2.3
58.62815	1.0
67.05502	1.9
69.03412	1.8
69.06719	1.5
69.07073	23.3
71.04990	2.6
71.06821	2.4
72.10993	0.8
73.02921	2.6
79.05503	5.8
81.07072	11.8
83.04979	3.4
85.02905	11.7
91.05483	2.4
93.07032	4.3
95.08584	0.9
97.02898	2.7
97.06506	2.2
97.32746	1.0
99.04462	11.5
99.08116	1.0
101.02391	10.0
105.07037	5.9
107.08607	31.1
109.10149	1.6
111.04451	13.2
121.06538	1.5
121.10152	5.0
123.08032	1.3
123.11723	2.0
125.05983	1.9
125.09696	0.9
131.08588	2.5
131.80594	0.8
133.10139	1.9
135.11710	1.2
139.11212	8.1
146.05995	1.5
149.08421	1.2
149.09630	18.2
151.11169	3.8
167.10683	19.5
169.12259	15.8
185.11748	100.0
187.13281	3.4
188.06990	1.3
196.09761	1.7
202.11522	1.0
204.60583	0.8
232.50816	0.9
286.70456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53623	0.3
56.96570	6.4
62.36625	0.3
63.64216	0.3
69.55857	2.2
71.95274	2.6
88.72509	0.4
98.83862	0.3
98.97586	100.0
116.98624	44.1
130.27649	0.4
134.99666	12.7
140.00208	1.0
144.44252	0.4
153.00754	0.8
158.01178	0.6
177.01015	0.4
181.97386	0.5
216.98761	1.8
219.01959	0.6
233.96776	0.3
234.51158	0.3
234.99794	2.5
235.99864	0.5
240.98685	5.5
241.00803	0.5
257.96909	0.3
258.99783	74.9
259.99973	1.9
260.99728	0.4
261.03076	1.5
274.97742	0.8
275.97910	0.7
277.00836	79.0
278.01056	1.5
279.01047	0.5
282.01358	1.7
283.00015	3.2
284.99774	0.9
295.01794	1.0
298.97794	0.5
299.97784	1.3
300.02390	1.8
301.01065	2.7
302.01074	0.4
303.00830	1.1
316.98941	0.7
317.98749	1.9
341.99026	1.3
359.00159	1.4
360.00015	2.8
383.00085	3.5
401.01129	10.7
401.06332	0.6
402.01376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73373	0.5
56.96566	3.8
57.03434	1.5
61.02945	0.9
69.03442	2.7
71.04982	2.2
71.56900	0.9
73.02911	2.3
79.05425	0.5
81.03407	1.2
83.04977	1.1
84.04496	0.7
85.02912	7.0
85.06543	0.9
87.04469	1.1
89.03910	1.1
89.39419	0.5
91.05458	1.2
97.02899	3.6
98.97581	10.8
99.04434	0.9
101.12671	0.6
107.04964	1.0
110.97596	1.4
111.02026	0.5
111.04418	0.6
112.99133	1.2
116.75716	0.5
116.98602	3.7
117.03354	0.8
121.06511	1.0
127.03989	1.3
128.98605	1.5
129.05463	1.0
130.08708	0.7
131.00134	0.8
131.04951	1.0
134.99701	1.1
135.04428	1.5
136.23596	0.6
137.06006	3.0
143.00186	1.0
145.02852	1.8
145.05011	1.0
146.99623	0.7
147.04404	0.6
149.01230	1.3
151.07518	0.7
155.04660	1.0
158.99666	2.8
161.01155	1.2
163.02701	0.9
163.03902	6.9
170.99693	0.7
177.00743	1.2
177.05551	1.3
179.02234	0.9
181.08676	0.5
185.04265	1.2
187.04405	1.7
192.04683	0.7
197.03275	0.6
201.00754	0.7
212.06215	2.0
219.01781	3.3
221.03389	1.1
221.07822	0.9
227.06790	0.8
237.02855	3.3
239.04504	2.4
251.06734	3.4
265.05969	1.2
291.07440	0.6
291.59314	2.2
292.09674	0.9
293.05746	0.8
309.09131	0.7
355.06641	0.8
373.08072	1.0
373.62607	0.6
375.68188	0.6
383.08997	5.2
383.13147	100.0
384.13528	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	1.1
57.03453	0.7
61.02921	0.5
67.65230	0.4
69.03426	1.8
71.49171	0.7
73.02931	0.6
77.97310	0.4
81.03414	0.8
83.04997	0.6
85.02905	3.0
85.06533	0.7
89.03922	0.5
91.05492	0.6
93.07067	0.4
96.84661	0.5
97.02891	1.3
98.97613	2.5
105.07046	0.7
109.02859	0.5
116.98599	0.7
117.03413	0.8
127.03914	1.0
131.04927	0.8
135.04396	1.0
137.05986	1.2
144.79694	0.4
145.02853	1.0
145.04968	0.7
158.55551	0.4
161.06004	0.7
163.03893	4.3
167.07108	0.5
167.87152	0.4
177.05452	1.1
179.40704	0.5
185.04294	1.0
191.07367	0.4
203.05315	1.4
209.04565	0.4
218.99767	0.6
219.01833	1.2
221.07840	1.2
221.12178	0.6
237.02867	1.3
323.09811	0.6
383.13153	100.0
384.13391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.149
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93121	5.3
79.05488	2.2
81.07064	2.3
91.05473	2.3
94.04179	4.5
103.05480	2.4
105.07026	9.5
106.81071	1.2
107.04971	1.5
109.06512	3.0
111.63039	1.1
115.05466	3.7
118.04211	1.1
119.08619	1.2
122.03653	11.3
128.06204	3.5
131.04890	1.2
133.06517	5.8
137.05983	100.0
138.06348	1.7
141.06995	2.4
146.03641	2.9
161.05988	36.2
171.08022	2.0
175.07564	2.3
184.05212	3.5
187.07484	1.1
191.08589	3.0
192.09373	1.3
199.07545	25.3
202.07803	15.0
203.08557	18.8
205.06569	1.7
219.08073	9.2
220.08829	5.8
221.09674	1.8
227.02286	3.2
230.07243	2.1
231.08089	28.2
232.08817	5.9
235.11102	2.2
247.07507	6.7
248.08304	16.2
248.54604	1.1
249.09094	2.4
259.07574	21.6
260.08365	12.6
261.09113	1.4
262.06976	1.3
262.09839	1.7
263.10657	13.1
265.08368	1.2
273.09344	1.1
275.07144	3.3
276.07880	11.9
277.08514	6.3
281.03391	2.8
282.88422	1.1
291.10156	72.8
292.10803	8.0
293.08005	2.4
295.13312	2.8
299.04410	3.2
308.10355	2.5
308.87015	1.1
323.12778	22.0
383.15030	1.6
403.69742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
53.03942	3.8
55.01869	2.2
55.05507	4.1
57.03428	0.9
65.03942	3.2
67.05505	12.1
69.03430	8.6
69.07072	2.3
69.91065	3.5
71.05000	5.2
77.03909	1.1
79.05057	1.3
79.05500	22.1
81.03424	7.7
81.07060	7.1
83.04990	8.2
84.08165	0.7
85.02908	2.3
85.06539	1.8
88.80629	0.6
91.05485	15.5
93.03416	2.5
93.07049	68.5
94.07410	0.8
95.04974	21.7
95.05553	1.5
95.08615	1.1
96.69432	0.7
97.06538	5.2
98.20853	1.6
98.21413	1.0
99.04462	15.6
101.06058	1.4
103.05459	1.3
105.03423	1.4
105.04513	1.7
105.07037	34.7
107.04955	1.4
107.08602	100.0
109.02872	0.8
109.06515	3.2
111.04445	9.2
111.08056	3.3
112.12869	0.6
113.06027	1.2
115.05471	0.6
117.07018	4.9
119.08590	16.4
119.09441	1.2
121.02876	2.7
121.06512	19.7
121.10151	43.5
123.08075	1.4
129.05524	1.2
130.07816	1.4
131.08611	4.1
133.10170	1.3
135.08064	20.5
135.11697	17.9
139.03905	6.0
139.07585	2.0
139.11166	0.8
143.08553	0.9
145.10129	34.4
146.05980	1.0
147.11728	3.8
149.06024	2.1
149.09633	9.9
153.09138	2.1
157.05014	2.6
163.11192	77.3
164.11490	1.0
173.09647	8.2
178.08673	0.8
181.12257	23.2
191.10678	76.0
200.55142	0.6
204.04076	0.6
209.11740	24.0
227.12796	23.1
243.08701	1.6
319.15485	2.3
337.16467	7.4
347.14755	1.2
365.15948	34.2
383.12347	1.2
383.17065	16.4
383.22043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.0
53.03947	3.8
55.01875	2.2
55.05522	5.3
56.23997	0.8
57.03444	1.0
59.85356	0.8
65.03934	3.1
67.05513	12.8
68.24227	0.9
69.03429	8.6
69.07083	1.8
70.33465	1.7
70.33858	1.6
71.05008	5.0
71.97102	0.8
77.03930	1.4
79.05495	21.1
79.05956	1.0
81.03432	6.5
81.07065	7.7
83.04990	8.7
84.08140	1.4
85.02900	2.4
85.06554	1.2
91.05489	12.7
93.03389	2.2
93.07053	61.2
95.04982	22.4
95.08630	1.8
97.02892	0.9
97.06542	5.6
99.04466	14.9
101.06005	1.2
103.05476	0.9
105.04497	1.5
105.07037	36.4
107.04964	1.0
107.08602	100.0
107.87964	0.9
109.06525	3.2
111.04450	9.6
111.08093	2.9
113.06017	1.0
117.07017	4.2
119.08589	13.7
121.02872	2.4
121.06516	19.3
121.10154	40.4
123.08060	1.8
129.05466	1.7
130.07808	2.5
131.08571	2.8
133.10031	1.3
135.08061	18.5
135.11705	17.5
139.03923	6.1
139.07532	1.6
143.08563	1.0
145.10141	34.2
147.11707	4.4
149.05956	2.3
149.09637	10.6
153.09167	1.7
157.04993	1.8
163.11194	78.2
173.09645	6.8
181.05013	0.9
181.10753	1.5
181.12251	20.6
191.10686	82.1
205.50240	0.8
209.11749	23.3
227.12799	22.9
227.14592	0.8
243.08698	1.4
244.67535	0.7
264.45761	0.8
319.15347	2.2
337.16525	6.5
361.00790	0.8
365.15970	31.2
366.16302	1.1
383.12369	1.2
383.16992	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	383.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03943	2.9
55.01866	1.2
55.05510	3.4
60.28767	0.7
65.03934	2.6
67.05513	9.7
69.03441	5.9
69.80890	4.6
71.05001	2.4
77.03914	1.2
79.05502	24.1
81.03432	5.7
81.07063	5.8
83.05000	8.1
84.08167	1.1
85.02923	1.6
85.06573	0.9
90.25168	0.8
91.05484	10.1
93.03413	2.7
93.07053	40.9
95.04979	19.0
95.08594	2.2
95.11768	0.9
97.06531	2.4
98.21437	0.8
99.04493	5.6
101.06033	0.8
105.04554	1.1
105.06496	0.8
105.07041	29.8
107.08604	100.0
109.06526	3.2
109.10184	0.9
111.04459	7.3
111.08125	2.9
117.07020	2.4
118.06532	1.3
119.06084	0.9
119.08598	10.9
121.02878	2.1
121.06524	14.4
121.10152	27.3
129.05486	1.4
130.07834	1.4
131.08575	3.1
133.10191	0.9
135.08072	9.0
135.11694	16.8
139.03908	3.2
139.07602	1.6
143.08539	0.9
144.07971	0.8
145.10144	23.7
146.05968	2.5
147.11708	3.8
149.06017	1.8
149.09625	11.4
152.14337	1.9
153.09131	0.9
157.04961	2.2
163.11200	56.1
173.09651	4.6
175.11176	1.0
176.88858	0.9
177.54846	0.8
181.12250	17.6
181.93251	0.7
188.07120	2.5
191.10689	49.0
192.26103	0.8
196.17009	1.8
209.11755	17.3
212.25461	0.7
217.80965	0.8
221.15450	0.8
227.12820	12.9
337.16476	6.3
339.20627	1.1
347.14981	2.4
365.16019	22.9
365.20596	1.3
383.16882	8.0
383.23486	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.5
56.05043	3.7
56.05296	0.6
57.07074	0.6
59.05015	0.3
63.13894	0.3
65.03928	0.4
67.05510	3.8
69.82035	1.0
71.40197	0.3
74.02459	0.6
84.08147	100.0
85.06555	2.5
85.08485	0.5
86.09705	2.0
87.42998	0.3
91.05492	0.7
98.21530	0.6
102.09132	0.3
112.07634	0.4
118.06553	1.9
130.08647	17.6
142.68073	0.3
144.04482	0.6
146.06024	8.8
149.05977	0.5
149.09619	0.6
153.02231	0.3
159.73959	0.3
161.77339	0.3
162.05547	0.9
172.04005	0.3
176.07069	1.1
178.08646	26.8
204.06554	0.7
205.12267	0.4
210.11263	24.5
222.07571	1.8
254.10262	2.6
262.14462	1.4
264.05875	0.3
284.50897	0.3
294.17035	5.8
306.13358	0.7
307.16479	2.4
338.16214	0.5
339.19165	45.6
340.19458	0.9
351.15488	1.1
357.91888	0.3
383.18195	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	383.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01870	2.1
55.05504	2.8
56.96561	3.3
57.03443	1.8
58.99582	3.8
59.04991	1.4
61.02943	1.2
67.05510	3.4
68.33062	0.9
69.03424	4.6
69.07067	2.4
69.53373	0.9
69.92809	5.0
69.93156	1.6
70.06592	1.1
71.05000	7.9
73.01163	1.1
74.00674	4.0
76.02245	5.1
76.04006	3.1
79.05502	5.0
81.03423	1.7
81.07063	11.6
82.99887	1.8
83.04971	2.3
84.04522	1.1
85.02906	7.0
85.04023	2.1
86.00650	5.3
86.99046	1.6
88.02221	19.2
88.03986	1.7
88.07635	1.1
91.05486	4.1
93.07059	8.0
94.06606	1.2
95.04964	2.9
95.07401	1.9
97.01119	2.1
97.02899	4.5
97.06529	2.6
98.97586	14.5
99.02699	2.7
99.08086	7.0
100.02212	4.6
101.00903	10.8
102.03770	3.0
103.00648	5.1
103.05507	2.8
105.07042	2.9
107.04956	2.2
107.07359	2.6
107.08607	5.7
109.06537	3.6
109.10159	8.3
110.97604	1.5
111.02697	5.2
113.00861	3.9
113.04226	2.9
114.03745	3.5
115.02324	2.1
116.01687	4.6
116.98631	4.4
119.01930	14.1
120.01981	1.2
120.08050	1.4
121.01675	5.2
121.06504	39.3
121.10148	3.0
123.02682	2.0
123.08036	1.2
123.11745	7.4
125.09599	1.3
126.03736	2.4
127.02473	2.0
128.05309	27.2
128.98599	1.5
129.03743	1.1
130.05000	4.4
131.01942	6.4
133.10130	3.3
135.04431	1.6
136.06195	2.6
137.03024	1.5
137.06012	4.5
139.02399	1.9
139.11148	1.8
140.05290	30.3
141.03708	2.6
143.00218	2.2
143.01863	12.1
143.02728	1.9
143.10719	2.6
144.01123	1.7
145.01698	1.6
145.03545	5.0
145.05043	1.3
145.06096	1.6
147.03136	1.5
149.01256	1.3
151.11183	15.7
152.05338	1.2
155.01894	7.4
157.03487	4.8
158.99672	3.3
159.03253	4.4
161.01431	1.9
161.02963	24.2
161.04337	2.4
162.02211	3.5
163.02747	1.7
163.03880	5.5
164.04306	1.2
165.04088	3.2
165.07410	2.0
167.01939	1.5
169.12254	8.4
173.02992	5.9
173.10023	1.3
174.02313	1.3
175.02838	1.1
175.04475	2.4
176.10469	1.1
177.00717	1.7
177.03137	1.2
177.04414	1.4
179.02284	2.7
179.05602	7.8
182.09975	7.2
183.05089	1.9
183.08409	2.6
184.07440	1.0
185.02948	3.6
187.04544	1.1
189.03270	4.0
191.04884	2.0
195.05101	1.2
197.03203	1.4
197.06503	5.2
201.09454	9.6
203.03983	8.3
203.05742	5.1
203.07275	1.9
204.06587	1.2
205.05595	1.1
207.05243	4.4
208.11586	5.7
209.06749	1.6
215.05614	2.7
219.10521	3.7
221.03178	2.7
221.05008	3.5
221.06747	20.5
223.06683	3.8
224.06752	1.9
225.06398	12.6
226.12616	16.8
231.07962	11.4
233.06638	17.7
235.08194	1.7
239.04332	9.3
239.07802	2.6
241.07591	1.4
243.08002	24.4
244.13647	1.4
245.05016	1.5
246.04190	1.1
249.06003	1.1
257.09637	2.1
263.07895	9.0
265.07703	1.8
275.07715	3.8
281.05249	3.2
299.14328	1.6
305.08652	3.9
311.10675	2.0
311.14261	38.0
312.12524	1.6
313.08112	2.3
321.08652	2.5
323.06406	6.4
323.09772	64.2
324.09949	1.9
329.15298	100.0
341.10800	8.3
346.00476	1.2
347.16327	25.2
355.09232	5.6
359.11667	1.3
365.07486	3.1
365.17648	2.4
383.08109	8.1
383.11868	13.1
383.18390	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
54.53262	3.4
55.01864	10.0
55.05515	19.3
56.58031	3.4
57.03426	12.6
57.07049	8.8
61.02925	10.5
62.24094	3.6
65.03968	5.5
67.05502	34.8
69.03432	39.7
69.07069	19.5
71.04995	59.1
73.02921	8.0
79.05491	40.3
81.03416	25.3
81.07057	94.3
83.01379	4.0
83.04980	12.8
83.08617	11.5
84.08140	100.0
84.96029	3.7
85.02910	65.5
85.06523	9.7
87.08121	4.5
91.05486	42.3
93.07053	73.6
95.04982	35.3
95.08605	59.4
97.02895	43.5
97.06517	12.3
97.10156	5.2
98.20759	7.5
99.04451	10.4
99.08090	8.6
103.03933	12.3
103.05456	7.3
105.07031	98.1
107.04964	7.8
107.08604	79.1
109.02874	9.2
109.06516	17.6
109.10159	63.2
111.04412	9.7
111.08084	5.6
115.03908	5.0
115.05378	4.3
117.07026	19.4
119.08579	80.6
121.06499	18.1
121.10143	65.7
122.06817	4.0
123.04446	10.3
123.08051	13.4
123.11714	23.6
125.05975	9.9
125.09633	21.3
127.03898	12.4
127.11201	26.3
128.06195	13.4
129.05508	4.9
129.06970	17.3
130.08635	17.9
131.08578	31.3
133.06479	5.3
133.10129	53.1
135.08047	13.9
135.11697	46.6
137.05989	25.8
137.09613	13.3
137.13156	4.2
141.07021	6.4
142.07825	7.2
143.08560	25.4
143.10687	6.8
145.02870	5.1
145.04947	4.3
145.06429	6.1
145.10124	52.2
147.08012	9.3
147.11699	52.9
149.09595	8.6
149.13278	19.8
151.11198	8.5
153.12735	13.9
155.08565	9.5
156.09355	5.2
157.10126	30.8
159.08047	10.0
159.11679	55.5
161.05984	4.7
161.09613	9.5
161.13263	31.8
163.11171	9.4
163.14795	18.6
165.07103	5.0
165.12801	10.5
166.05083	5.1
169.10147	11.5
171.07964	7.1
171.11650	23.2
173.09618	7.5
173.13298	25.2
175.07565	4.5
175.11177	7.7
175.14819	14.2
175.93327	4.1
177.05486	15.8
177.09093	4.5
180.06549	5.2
181.10127	6.4
183.11682	15.9
185.13263	12.2
187.14772	12.6
189.09189	6.3
189.12820	9.0
189.16367	25.6
191.14276	5.4
193.15857	10.7
194.08121	7.6
195.11714	5.1
195.17409	4.5
197.13297	12.2
199.07515	34.7
199.11299	4.0
199.14915	5.8
201.12712	11.9
201.16368	24.8
202.07759	6.3
203.08556	7.0
203.14426	4.9
203.17964	29.2
207.10127	5.5
207.17374	4.8
211.14795	4.1
213.12717	4.8
213.16402	10.5
215.14307	8.0
215.17976	9.5
217.10655	13.1
219.08099	5.7
219.17497	7.4
220.08839	6.9
221.18970	7.8
225.12830	10.1
225.16408	4.4
227.17938	14.1
229.08592	6.2
231.08008	11.0
233.18889	9.4
241.15845	6.6
243.13855	7.8
243.17418	8.4
245.19028	16.9
247.07510	9.6
248.08337	13.2
249.08830	5.5
254.10202	21.1
257.19025	6.1
259.07501	7.3
261.09140	5.2
261.14905	7.6
261.18695	6.2
262.09885	10.8
263.10635	10.0
263.19962	6.0
265.08728	5.9
269.18982	5.5
275.07108	9.3
275.20074	6.4
276.07800	11.5
277.08673	9.7
279.15787	4.5
287.20035	10.9
290.09354	6.4
291.10236	25.8
292.07330	7.0
293.08020	10.4
293.19193	5.3
305.07889	5.3
307.09479	7.3
308.10443	4.9
311.19995	16.0
319.09521	9.1
323.12726	19.3
329.21002	21.0
335.12799	6.8
336.09946	4.7
337.10773	12.8
338.07605	4.6
347.22290	21.6
351.12286	25.2
352.13110	10.4
353.10110	14.1
359.39890	5.6
365.23282	23.8
368.12537	11.1
383.14383	77.8
383.18442	20.9
383.23880	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18727	0.3
53.03939	0.5
55.01857	1.0
55.05508	2.1
56.96551	0.4
57.03435	0.5
57.07067	0.9
59.05017	0.4
63.30370	0.3
65.03938	3.3
67.05167	0.6
67.05505	7.3
69.07071	2.1
71.05003	2.5
79.05493	4.6
81.03411	1.1
81.07061	6.8
83.04972	1.9
83.08611	1.4
85.06545	0.8
91.05482	100.0
92.05809	0.7
93.07047	5.9
95.04971	1.5
95.08609	5.5
97.06536	2.6
97.10188	0.9
98.20695	0.6
103.05412	0.5
105.07033	5.1
107.04955	0.5
107.08581	2.6
109.06496	2.1
109.10162	3.0
111.08109	0.9
115.05459	0.8
117.07017	5.8
119.08584	3.6
121.06508	1.0
121.10152	2.3
123.08088	2.4
123.11678	0.5
125.09607	0.4
128.06223	1.4
129.07001	3.9
131.08571	5.3
133.06534	0.3
133.10176	2.4
135.08087	1.5
135.11736	1.0
137.09637	0.8
137.13202	0.4
141.07002	4.6
142.07791	0.7
143.08553	4.9
143.09555	0.5
145.10114	2.8
147.08067	0.6
147.11697	1.4
149.09634	1.4
149.13322	0.5
151.07581	0.6
153.07013	0.6
154.94171	0.3
155.08543	2.8
157.10159	2.5
159.08180	0.4
159.11716	0.7
161.09663	0.7
161.13223	1.6
163.11221	0.6
165.07010	0.7
165.09093	0.6
166.07790	1.3
167.08553	2.5
169.10126	1.7
171.08206	0.6
171.11684	0.8
173.09648	1.6
173.11794	0.4
173.13255	0.6
175.11168	0.6
175.14894	0.5
179.08595	0.6
181.10118	3.8
183.11662	0.7
185.09676	0.7
185.13243	0.6
187.11226	0.7
191.14285	0.4
193.10069	0.4
195.11771	1.5
197.13260	0.5
199.11224	2.1
199.12881	0.4
201.12741	0.4
207.11700	0.4
209.13344	1.0
211.15028	0.4
221.13397	0.6
221.15450	1.7
223.14830	0.6
227.14270	0.3
234.16087	0.4
255.17438	0.4
261.18533	0.4
273.18527	0.5
291.19690	0.9
292.20560	0.6
295.36398	0.3
339.23389	0.4
347.23752	0.6
365.24838	2.5
383.25778	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	383.3311
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
53.03943	2.5
55.05513	12.3
57.07074	3.8
67.05511	29.4
69.06729	1.8
69.07074	24.6
71.05003	2.4
71.09813	4.3
79.05497	18.7
81.07062	69.0
83.04952	2.1
83.08615	9.6
85.06556	16.9
91.05490	21.6
93.07053	49.7
95.08614	100.0
97.06544	5.1
97.10165	5.1
105.07038	67.9
107.08601	62.3
109.09465	3.2
109.10172	48.6
111.08093	3.9
117.07045	5.1
119.08588	92.0
121.10155	66.4
123.11738	15.7
123.60278	1.9
125.04366	1.7
131.08578	14.7
133.10135	43.2
135.11707	37.4
137.13234	9.7
143.08521	2.3
144.09334	2.6
145.10162	19.6
147.11708	35.5
149.13277	39.3
151.14780	2.8
157.10101	3.8
159.11707	31.5
161.13257	49.6
163.14832	27.3
163.84874	1.8
165.12781	3.0
171.11755	3.5
171.68213	1.9
173.13295	12.9
175.14832	49.0
177.16374	8.4
179.14311	6.1
185.13210	2.9
187.14806	17.0
189.16405	21.9
190.17044	1.8
190.19057	2.0
191.14288	3.0
191.17969	72.5
193.15891	8.2
193.71246	2.3
199.14900	3.1
201.16373	11.8
203.17976	19.9
205.19601	7.8
207.17389	2.4
213.16402	5.4
215.17917	10.7
217.15953	2.2
217.19495	14.6
227.17946	3.4
229.19612	3.6
231.21251	2.5
233.19060	2.8
241.19603	3.1
243.21083	3.8
253.19431	2.6
255.21289	4.4
257.22653	8.8
265.77170	1.9
287.81580	1.9
295.24091	3.6
327.14426	2.0
365.32025	20.9
383.16415	1.6
383.20413	52.5
383.33105	90.0
384.20773	2.4
384.33432	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	384.1153
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01855	1.1
56.84061	0.4
56.96552	0.5
57.03435	2.3
57.91722	0.3
61.02917	0.5
69.03439	1.8
69.72691	1.8
70.02945	0.5
71.01350	0.7
73.02895	1.3
81.03397	0.5
84.96008	0.4
85.02915	2.9
87.04455	0.4
94.04047	0.4
95.54249	0.4
97.02874	1.1
98.97561	1.0
99.00806	0.8
116.98575	0.4
119.03542	0.9
121.05099	1.6
121.06499	1.6
133.05000	0.5
133.22789	0.3
135.04422	0.5
135.06659	1.2
136.06195	19.6
137.04559	0.9
148.06186	6.3
160.06212	0.9
161.04454	0.4
162.07756	38.8
163.03966	2.5
164.05739	0.4
174.43094	0.3
181.04951	1.0
188.05690	14.1
189.64037	0.4
192.05173	19.5
206.06758	7.5
213.04138	0.7
216.05144	0.7
219.01772	0.7
234.06238	11.4
252.07292	100.0
253.07526	1.2
277.65741	0.4
304.61105	0.4
324.10034	0.7
339.07504	1.6
343.65488	0.4
357.08563	1.0
381.08514	1.0
384.11517	27.0
385.11282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67599	0.8
59.57658	0.7
85.53354	0.7
98.20718	2.2
121.06534	1.5
137.54826	0.9
155.65221	0.8
160.03699	1.2
161.05728	2.2
167.05768	1.0
182.08139	17.2
184.07394	0.8
189.62923	0.7
194.23540	0.7
203.06798	100.0
204.06165	3.7
222.07590	1.4
230.77362	0.8
236.06476	0.9
258.43118	0.9
306.85721	0.8
384.14175	41.0
385.14163	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
53.11681	2.3
57.03423	2.6
59.05004	3.2
59.98332	1.9
61.02935	2.6
67.05502	3.3
69.03424	5.0
69.07063	7.4
70.06585	3.9
70.88661	2.0
71.04993	16.3
71.07754	4.1
74.88272	2.1
79.05488	8.8
81.03424	3.1
81.07063	41.1
81.96919	2.2
83.04996	3.6
83.08618	2.5
84.04505	3.4
85.02933	13.1
85.24545	2.2
93.07040	3.7
97.02888	7.8
97.06538	6.5
99.08068	4.0
107.08563	8.4
109.02897	2.6
109.10192	12.1
111.11685	3.8
121.06464	6.0
121.10155	3.6
123.11732	16.1
127.03896	5.0
133.10098	2.3
133.45834	1.9
139.11163	9.3
145.04970	2.6
147.04425	4.4
150.09969	3.8
151.11220	24.4
157.12297	12.4
157.13361	2.2
163.03914	8.9
169.12263	23.8
187.13300	100.0
205.14374	16.8
234.98882	2.7
351.07947	2.1
384.16425	7.3
385.14612	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	384.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21830	4.8
55.05501	18.3
56.96551	11.7
57.03434	9.2
57.79254	5.3
59.04984	11.3
61.02930	48.2
67.05499	12.9
69.03430	34.5
69.07060	15.5
70.06593	13.8
71.04983	16.9
71.55801	7.7
73.02911	4.4
74.09145	4.7
79.05499	11.9
81.03430	10.8
81.07065	56.8
83.04982	17.6
83.08627	71.9
84.04523	30.2
84.96037	6.6
85.02908	83.4
85.06553	13.1
87.04475	29.7
91.05505	10.9
92.02436	4.6
93.07045	21.0
95.08587	11.2
97.02901	20.2
98.21142	5.9
98.97606	26.6
99.04474	6.4
105.05507	95.3
105.07044	8.5
107.08591	20.6
109.02872	10.3
109.06529	7.7
109.10174	27.1
110.97582	10.9
113.06013	66.3
116.07110	6.4
116.98645	8.8
117.03425	7.4
121.06499	39.0
121.10130	9.1
122.06853	9.9
123.11710	100.0
127.03922	10.7
127.11170	8.7
128.98607	8.0
131.07040	25.5
133.10115	16.4
135.04381	11.6
136.06230	7.6
139.11185	5.3
143.00133	6.1
145.02840	10.0
145.04942	15.3
146.13309	4.8
147.04446	6.5
148.07573	6.5
151.11183	67.2
158.99648	8.4
162.66658	5.0
163.03905	94.9
164.04088	5.5
168.10985	9.0
169.12259	78.0
176.07040	8.6
178.08737	5.9
181.04958	24.6
184.07413	4.9
186.12103	7.0
187.13295	19.1
195.03313	8.3
213.04225	14.7
219.01793	15.2
221.07927	7.3
222.08186	15.9
222.13516	14.3
234.06705	8.2
234.57906	5.2
237.02823	20.7
249.09827	6.7
252.07396	7.6
264.07996	6.0
306.08936	5.9
324.10010	43.6
339.07507	46.9
340.07681	6.4
357.08572	40.8
381.08655	24.2
384.07333	8.8
384.12933	19.4
384.16681	16.4
385.14664	98.4
399.09235	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	385.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77944	0.3
56.96572	3.6
63.92732	0.3
70.57773	1.1
71.95262	1.2
94.26347	0.3
98.97591	44.3
99.97911	1.1
100.97197	0.8
100.97991	0.7
101.00883	2.7
116.98633	22.5
117.98972	0.7
118.98257	0.6
119.01934	5.2
134.99663	7.0
137.03038	0.3
140.00197	0.5
140.98892	0.5
141.85722	0.3
153.00731	0.5
156.88344	0.4
158.99901	1.7
162.97333	0.4
170.11102	0.3
174.97827	0.3
175.03064	0.4
177.00963	12.5
178.01129	0.4
182.99883	0.8
201.00902	2.5
216.98721	0.7
217.04077	2.4
219.02023	23.2
220.00258	0.3
220.02191	1.2
225.00859	2.9
234.99869	0.7
236.99667	0.7
240.98787	1.6
242.98567	1.1
243.02007	11.8
244.02213	0.6
258.99814	16.9
259.99921	3.6
260.99759	16.2
261.03064	100.0
262.03204	5.1
263.03247	0.7
276.98303	0.3
277.00842	16.2
278.01019	4.0
279.00635	17.8
282.01300	0.5
282.99994	4.2
284.00256	0.7
284.04523	2.4
284.99881	1.3
300.02386	0.4
301.01025	4.4
302.01468	1.1
303.00861	1.6
318.98813	0.6
325.01053	0.5
332.35608	0.3
338.04065	0.3
343.02106	1.8
360.99997	0.9
361.99774	1.1
367.02158	2.6
385.03305	20.0
386.03329	1.1
403.04700	17.6
404.04688	0.9
408.04941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47517	5.0
56.96567	12.7
60.42583	6.3
69.03442	16.4
70.96357	14.6
85.02908	17.4
91.45869	5.1
95.04993	6.6
97.02876	7.3
98.97591	37.9
110.97606	15.7
111.29913	5.2
116.98624	12.3
120.34599	7.7
121.06406	5.9
121.18012	5.6
128.98615	13.0
135.04413	11.2
137.06006	13.9
147.04341	6.4
148.78088	6.9
149.06218	6.6
163.03917	30.4
165.05484	6.4
167.07086	11.0
201.00771	6.4
219.01843	28.1
223.05966	9.2
237.02895	22.6
241.03845	7.7
250.10483	6.1
275.09067	12.9
367.06989	18.5
385.09232	100.0
385.14865	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0899
Annotation	Nidurufin
Peak:m/z	Relative Intensity
52.26501	4.9
70.35171	19.1
101.00930	6.4
101.98389	5.0
110.67332	6.0
119.01937	12.5
121.02298	6.1
157.03453	9.2
161.16652	5.7
186.68935	6.0
202.95892	6.5
210.75456	5.6
223.06642	18.5
233.10732	6.5
265.07684	17.5
367.10571	11.2
385.09042	100.0
398.38916	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	385.0901
Annotation	Nidurufin
Peak:m/z	Relative Intensity
56.55990	5.2
60.00196	4.9
61.17525	6.0
69.03440	5.2
69.34721	4.4
69.92020	11.3
69.92414	13.6
70.78861	5.3
74.01714	5.2
75.07066	6.1
85.61904	4.6
89.67551	5.1
89.89742	4.8
97.44994	4.6
98.20804	6.6
98.97564	5.6
101.00910	8.9
107.45434	5.7
117.35544	5.5
119.01910	9.1
157.03529	8.5
203.67462	7.1
223.06619	18.8
236.33879	5.9
265.07837	12.5
281.07339	7.0
286.74274	6.4
293.07233	5.1
367.10950	16.0
381.81888	5.5
385.09079	100.0
403.40424	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	385.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67036	1.1
53.03932	1.6
55.01864	5.3
56.96568	2.7
57.03423	4.1
61.02924	2.4
64.82204	1.1
69.03423	9.1
70.06579	1.7
70.68966	3.5
73.02904	4.7
73.06560	9.1
79.05491	6.5
81.03424	1.9
83.01333	1.4
85.02435	1.7
85.02907	22.4
87.04453	2.5
89.03910	2.7
91.05472	5.2
92.49162	1.1
95.01323	1.6
95.04970	4.9
97.02885	12.2
98.21527	1.2
98.97582	4.7
99.04457	1.9
103.05477	7.5
105.07033	53.9
107.04956	3.3
108.52059	1.3
109.02880	2.3
110.97562	1.2
111.04403	1.7
115.03924	5.9
115.05452	13.3
116.98608	1.8
117.03385	2.5
117.07054	3.0
118.04154	2.9
119.04921	2.2
121.02882	1.9
123.04430	6.3
127.03925	6.7
129.06975	1.1
130.04198	1.2
131.04930	8.2
132.05667	1.5
133.02898	1.6
133.06494	54.7
135.04434	3.1
139.03929	2.5
140.04660	2.8
141.07008	1.5
143.01834	1.5
143.03400	2.4
143.04982	1.6
143.06018	5.2
144.05719	2.1
145.02899	3.8
145.04987	6.3
145.06464	7.5
147.04425	2.3
149.05972	1.6
151.03937	2.9
155.05966	1.7
155.07054	4.2
157.06464	3.1
158.99686	1.6
159.04483	1.7
160.05234	2.4
161.05984	100.0
162.06418	2.4
163.03900	20.0
163.06047	3.4
163.07408	1.4
164.04213	1.4
165.05510	2.1
167.07031	25.0
167.08414	1.7
169.06406	2.1
169.08531	1.3
171.04475	1.3
172.05196	2.0
173.06013	4.3
175.06055	2.3
175.07559	4.0
177.05412	1.7
179.07031	3.2
181.04976	2.5
183.06532	3.2
185.05966	2.2
186.03099	1.5
187.03967	2.4
187.07549	3.3
189.05487	3.8
190.06271	2.0
191.07031	5.0
192.07799	2.2
193.08603	62.8
201.05496	5.0
202.03102	1.5
203.06927	2.3
205.08551	6.9
207.06555	7.7
215.06992	2.7
217.05000	2.7
217.08507	1.9
218.05847	1.7
219.01772	1.8
219.06584	7.4
220.07262	2.2
221.04890	1.3
221.08081	3.4
222.97240	1.4
227.06966	1.5
229.04948	2.7
231.06534	6.1
233.04486	5.3
233.08101	5.2
235.09593	2.7
237.02872	1.6
243.06477	2.2
245.04492	1.7
245.08043	1.7
247.09825	1.7
249.07661	2.4
251.09163	26.3
253.12756	2.6
257.08017	1.2
259.06192	2.0
260.06738	2.6
261.07602	14.2
263.09079	2.3
271.04831	2.0
273.07529	3.3
275.09183	14.0
277.07050	3.7
279.08624	1.4
289.06848	1.9
293.10147	2.4
307.08060	5.7
311.84824	1.4
313.05893	1.4
319.07965	1.9
337.09045	1.4
367.10034	3.3
385.10730	3.7
385.15039	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	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.9
56.62437	3.5
57.03438	6.2
57.60030	3.9
60.25796	3.7
61.02930	4.8
68.99786	9.6
69.03422	14.1
69.79854	24.3
70.06660	4.9
79.05476	11.2
81.03426	30.2
81.03828	5.9
85.02428	5.8
85.02911	79.6
87.00818	15.5
91.05473	27.4
93.07062	6.6
97.02895	21.3
98.97571	14.9
99.04442	5.5
103.03946	12.5
103.05466	8.8
105.07021	21.6
109.02872	6.4
115.05460	11.9
117.07018	15.1
119.04956	14.7
121.06551	22.2
121.49715	4.7
123.04432	9.8
127.03851	9.7
128.06219	12.8
129.01846	8.1
129.07027	37.4
131.04938	14.2
133.06487	22.1
135.04462	6.3
137.05991	52.9
143.04892	13.9
143.08536	6.8
145.02826	5.9
145.06464	17.4
147.04419	46.5
147.08112	7.6
148.78883	4.4
149.05998	23.3
151.07544	39.2
153.06963	10.3
157.06508	36.6
160.05188	6.1
161.05998	69.2
163.03909	37.9
164.07077	10.0
165.05484	97.7
170.99666	4.8
171.02937	5.1
171.08032	9.3
173.05991	19.1
174.06764	6.9
175.07562	40.9
177.05482	5.6
179.04736	5.3
179.07040	53.2
181.06491	9.8
185.06065	20.0
187.07442	5.6
189.03929	28.9
189.05508	15.9
191.07001	23.2
195.06433	6.9
197.05855	4.1
199.07536	15.4
199.57208	4.5
201.05472	6.1
202.93469	3.9
203.07031	100.0
207.06641	7.1
209.05661	5.7
215.06889	4.3
217.08630	12.1
217.88557	3.8
219.01671	4.4
221.08128	35.9
223.09537	4.4
227.07028	16.1
233.08066	15.9
236.06210	32.6
245.08101	63.7
263.09122	32.9
281.10077	15.1
349.09070	17.1
357.08875	4.7
385.14758	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1262
Annotation	SB 431542
Peak:m/z	Relative Intensity
58.81566	0.7
67.05502	1.2
69.03418	0.8
69.45570	2.4
69.45988	2.6
71.04987	0.7
71.37060	0.6
81.07069	1.5
86.15031	0.7
91.05490	1.1
93.07049	1.7
95.08603	1.2
98.97575	1.1
105.07060	1.6
107.08556	0.9
117.07083	0.8
121.06522	4.2
121.10097	0.8
132.86526	0.7
133.10138	1.0
143.04665	2.0
146.36594	0.7
265.06848	2.9
307.15915	4.1
315.08429	6.7
325.16946	6.4
343.17886	4.0
353.09805	1.1
354.18750	0.9
385.12604	100.0
386.12741	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
56.96570	0.7
67.05511	0.9
69.03423	1.7
69.07059	1.3
70.07130	3.4
79.05493	2.1
81.07047	2.8
84.87923	0.7
85.02902	1.5
91.05505	4.0
93.07070	2.0
95.04971	1.3
95.08604	3.2
97.02915	1.2
98.97591	3.1
103.05460	1.3
105.07043	2.4
107.04966	1.4
107.08593	1.2
108.08919	0.7
109.10157	2.2
116.98696	1.0
119.04980	1.6
119.08588	1.8
121.06520	4.2
122.03670	1.0
131.08592	0.9
135.08070	1.8
135.11658	0.8
136.08328	0.9
137.05997	6.1
143.04730	2.0
147.04413	2.4
149.02373	6.0
151.07529	0.9
158.03668	2.1
158.99594	0.7
163.07608	1.1
167.07074	3.3
173.06004	2.2
175.03938	3.2
177.00710	1.4
177.05524	1.3
181.05045	0.9
186.03131	0.9
193.04982	5.7
201.05501	13.5
207.06544	4.9
213.05621	1.0
231.06535	1.3
235.07654	1.2
240.16991	0.8
247.07735	0.9
249.05626	0.9
264.07687	1.0
265.06937	1.7
278.09607	1.1
295.09830	1.0
307.09415	1.5
307.12753	0.7
335.09219	1.8
341.06671	0.8
353.09995	12.2
353.13806	1.1
355.11755	1.6
359.07962	0.9
367.11841	2.4
385.12689	100.0
386.12994	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1264
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
55.05525	1.5
67.05505	3.5
69.07072	3.4
79.05496	2.4
81.07064	5.6
83.08624	1.1
83.36266	1.0
85.06550	11.0
91.05488	3.5
93.07052	5.6
95.08610	11.0
97.02839	0.9
98.21478	3.1
98.97582	1.8
100.78754	0.8
103.05451	1.1
105.07027	2.8
107.04990	1.7
107.08620	4.5
109.10161	4.9
119.04968	1.8
119.08604	2.0
121.06520	4.4
121.10168	4.2
123.04456	0.9
123.11718	1.8
125.09666	0.8
133.10123	2.0
135.08113	1.0
135.11696	2.7
137.05991	2.1
140.04688	0.9
143.04776	1.7
143.08615	1.0
145.02843	0.9
149.02411	1.5
149.13261	1.5
163.14798	1.6
165.05472	1.1
167.07050	6.4
169.99774	0.9
173.05946	1.2
177.05444	1.5
177.16394	1.6
181.04944	0.9
189.16428	1.1
191.07088	0.9
191.17950	6.8
201.05479	12.3
203.18018	1.0
207.06561	2.2
213.05460	3.0
217.19530	0.8
219.08115	1.1
221.06100	0.9
231.06438	2.1
235.07626	1.3
252.07347	1.0
262.06094	1.1
263.07175	1.0
264.07877	1.0
265.06921	2.2
275.07016	1.3
277.05212	0.9
278.09393	1.1
292.07367	1.5
303.06580	1.9
307.09256	1.0
320.06842	2.3
335.09344	5.2
353.10049	11.1
355.11621	1.5
367.11682	6.7
385.12613	100.0
385.34598	3.6
386.12885	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1283
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01862	1.6
55.05501	0.5
56.96579	0.6
57.03439	0.5
65.03938	1.6
67.05480	0.6
69.03429	0.6
69.07063	0.8
71.04983	0.4
71.59054	0.5
79.05494	0.8
81.03423	0.7
81.07040	1.5
84.04501	0.6
85.02888	1.0
91.05482	1.9
93.03390	0.7
93.06480	0.4
93.07051	1.3
95.01305	0.5
95.04963	1.1
95.08616	1.4
95.71571	0.4
97.02870	0.7
98.97594	0.4
103.05479	1.2
105.07042	1.2
107.04970	0.8
107.08604	0.9
110.03678	1.2
110.12180	0.5
111.00860	0.5
111.04446	1.3
115.05448	0.9
117.07003	0.6
119.04929	0.9
119.08559	0.7
121.02858	1.1
121.06527	5.3
121.10184	0.7
123.04405	0.6
125.06033	1.7
129.07039	0.5
131.04977	0.9
133.06570	0.5
135.07983	0.5
136.08345	0.5
137.05952	2.4
145.06494	0.7
147.04410	0.8
148.05157	0.4
149.02316	0.6
151.03906	1.8
151.07530	0.8
153.05464	2.6
153.07010	1.3
158.07240	0.5
161.06017	1.0
163.03914	0.7
165.05479	1.7
165.06995	2.4
166.07780	1.0
167.07050	1.4
167.08537	0.9
168.05672	0.5
172.05260	0.6
173.05972	0.7
175.03897	0.6
175.07602	0.8
177.05490	0.8
177.06944	0.7
178.07776	2.5
179.08583	1.6
181.05011	0.8
181.06480	1.6
182.07246	1.1
183.08060	0.8
185.05984	0.7
185.09612	0.5
189.07028	1.3
190.07767	1.8
191.08589	1.9
193.06477	1.1
194.07291	2.0
195.08083	2.3
196.06775	0.6
196.08862	0.7
197.06050	0.7
198.06714	0.7
201.05466	3.1
202.05948	0.5
202.07805	1.3
203.08621	1.0
205.06540	2.3
206.07260	0.9
207.06413	0.7
207.08093	3.2
208.08884	1.5
209.06026	0.9
209.09695	0.8
210.06880	1.0
210.10420	0.4
211.07587	2.1
213.05536	0.7
218.07272	2.3
219.08092	4.0
220.08821	1.5
221.05946	2.7
221.09657	1.5
222.06783	2.6
223.07600	2.1
223.11118	0.5
224.05435	0.6
224.08299	1.4
225.09172	2.0
226.06322	0.5
226.09999	0.8
231.08241	0.9
232.08818	1.1
233.06062	0.8
233.09610	1.5
234.06749	2.6
235.07555	5.8
236.04832	0.5
236.08327	2.7
237.05467	1.0
237.09129	2.8
238.06253	1.4
238.09846	0.6
239.06937	2.5
239.10724	1.1
240.07799	1.1
241.08594	0.9
246.06824	1.2
247.07530	3.8
248.08305	1.7
249.05421	1.6
249.09126	3.3
250.06317	1.2
250.09932	1.0
251.07025	3.6
251.10609	0.9
252.07802	2.0
253.08577	2.9
254.09396	1.4
255.06648	0.5
255.10097	0.9
256.07275	0.6
257.08295	0.5
259.07690	0.4
260.08484	0.6
261.05634	0.7
261.09088	1.5
263.07080	3.2
263.10605	0.4
264.07870	3.2
265.08615	4.4
266.06018	0.5
266.09473	1.9
267.06546	1.3
267.10184	3.5
268.07455	0.7
269.08020	0.8
274.06213	0.9
275.07159	1.2
276.07858	1.1
277.08551	2.8
278.09335	2.1
279.06641	1.3
279.10184	4.8
280.07278	1.2
280.10608	0.6
281.08203	2.9
281.11169	0.7
282.08835	1.6
283.09695	1.7
291.06693	0.5
291.10208	0.8
292.07278	1.4
293.08163	1.9
293.11600	0.8
294.08765	1.1
295.09589	3.0
296.10522	0.6
297.11230	1.5
299.09338	0.6
303.06400	0.6
305.08060	0.7
307.09656	19.2
308.10266	1.3
309.07870	0.7
309.11087	2.5
310.08383	0.9
311.09122	0.6
313.10663	1.5
319.09656	0.7
323.09106	4.9
324.09781	1.4
325.10706	3.9
329.13641	0.7
335.09140	1.8
337.10638	1.1
338.11301	0.8
339.12344	1.8
353.09982	1.0
353.13968	0.5
355.11728	1.8
357.13339	1.4
367.11700	1.4
385.12811	100.0
385.29181	3.5
386.13168	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1472
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
56.96561	0.7
69.03423	1.0
69.83908	2.8
81.03425	0.9
85.02926	2.4
91.05499	1.0
93.07085	0.6
96.04498	0.4
97.02916	0.7
98.20808	0.6
98.97599	1.8
103.05519	0.6
110.97590	0.6
116.98611	0.6
119.04953	0.5
121.06531	2.2
124.91858	0.5
129.07056	0.6
131.04929	0.8
134.02609	0.5
135.04457	0.6
136.06230	0.8
137.06026	0.5
145.02916	0.7
147.04443	1.5
151.07642	0.6
153.05391	0.7
157.06508	0.6
163.03947	4.0
165.05499	2.4
169.06783	0.4
179.07108	0.7
201.03734	0.5
203.05353	3.0
203.07141	1.0
203.57777	0.5
205.08527	1.3
219.01723	1.1
222.02078	0.5
223.05991	0.5
223.09457	1.1
237.02863	0.9
245.08266	0.7
339.07462	1.0
357.08762	1.3
357.71710	0.5
385.10934	10.3
385.14871	100.0
386.15253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.6
57.03429	2.6
67.05517	1.2
69.03432	2.1
70.06622	1.2
71.05006	1.0
71.56609	1.0
73.02916	2.9
79.05498	1.6
81.07059	2.0
84.95959	0.9
85.02908	3.7
89.81402	0.8
91.05484	2.0
93.07066	1.7
95.04967	2.2
95.08611	2.2
97.02897	2.2
98.97591	2.4
105.07040	1.7
107.08599	2.1
111.51979	0.8
119.04954	2.8
119.08624	2.1
121.06494	1.8
121.10188	1.2
123.04449	2.5
123.08042	1.3
135.11688	1.1
137.09622	2.8
139.88612	0.9
141.12715	1.3
142.13110	1.2
147.04402	2.4
147.11690	0.9
149.09633	1.7
159.11723	1.1
163.11180	2.9
165.05527	1.1
165.09073	1.0
178.08636	1.8
187.11226	1.0
193.12282	1.0
203.05255	1.4
203.07642	0.9
205.12285	4.2
207.13850	2.8
209.11574	1.2
215.01740	1.0
223.09428	100.0
223.13200	8.6
241.07683	1.1
241.75156	0.8
256.04019	0.9
295.14325	0.8
302.87924	0.9
307.10455	1.7
356.67474	0.9
367.13605	1.3
385.14304	69.5
385.18445	98.5
386.12375	2.7
386.18982	1.4
387.12936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
53.37025	2.8
55.01874	2.4
55.05508	5.5
56.96571	8.4
57.03448	13.5
60.02131	2.5
61.02924	13.5
67.05511	3.3
69.03112	3.5
69.03433	26.4
69.07072	6.9
69.97642	6.6
69.98034	5.4
70.06595	7.5
71.01331	3.6
71.04996	13.5
73.02921	26.6
73.06564	36.7
75.19830	2.3
79.05495	9.0
81.03428	11.5
81.07061	33.2
83.04973	5.6
84.08126	2.3
85.02911	100.0
86.03242	3.9
87.04459	4.9
88.02213	11.7
89.03943	2.9
91.03932	4.4
91.05495	9.0
93.07066	7.9
95.04953	5.6
95.08606	2.8
97.02905	32.9
97.06550	2.8
98.97576	15.0
99.04476	6.8
99.08110	2.8
103.05478	3.3
105.07038	6.9
107.08606	5.6
109.02883	5.6
109.10159	7.9
110.97599	4.0
111.11769	3.2
115.03942	14.2
115.05451	3.8
116.98642	7.0
119.04964	3.9
121.06514	30.9
123.11686	13.0
127.03915	23.9
128.98590	2.7
129.07014	4.5
131.04962	4.3
133.04930	3.2
133.06509	6.0
133.10118	2.5
134.02687	18.8
135.04404	7.6
135.09462	2.2
136.06195	28.7
137.05986	8.9
139.11194	6.8
143.00114	2.6
145.02882	4.4
145.04964	32.4
147.04466	5.6
149.06000	2.7
151.07558	5.8
151.11205	18.6
157.06578	3.0
157.12320	5.3
158.99684	6.4
161.06024	17.5
162.07761	4.2
163.03905	34.5
163.06033	9.3
163.08147	3.5
164.04282	6.6
165.05487	15.4
169.08623	5.1
169.12248	27.6
175.07545	5.2
177.00777	5.4
179.07071	6.5
181.04958	6.4
185.06055	2.3
187.13313	42.8
189.03990	4.7
189.05603	3.5
191.07043	4.5
193.08650	5.1
203.07011	13.1
206.01476	3.2
213.04143	3.3
219.01801	2.8
223.15533	4.5
236.06241	8.1
237.02710	4.8
239.04398	2.5
245.08124	5.4
252.07310	11.6
253.07622	16.6
253.12907	4.9
259.06503	2.7
263.09207	3.5
277.07773	2.7
325.09787	4.6
339.07516	11.6
340.07941	3.9
349.09631	2.6
357.08548	11.4
358.09085	5.9
359.73187	2.9
381.08615	3.5
382.09140	4.8
385.10956	17.3
385.15179	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05511	6.2
56.96567	6.2
57.03434	2.8
59.04985	2.8
61.02927	4.5
63.02476	2.0
67.05521	4.3
69.03432	7.7
69.07076	12.6
70.06589	5.8
71.04996	25.8
71.56544	4.0
73.02919	2.4
76.60052	2.2
79.05108	1.8
79.05503	10.7
81.03406	5.6
81.07066	73.0
83.04983	7.4
83.49400	2.0
85.02911	30.4
85.05155	2.1
88.02233	14.8
88.18605	2.1
91.05490	6.3
93.07064	5.8
95.04968	5.0
95.08614	4.9
97.02901	11.2
97.06548	5.7
97.10173	2.6
98.97586	11.4
99.04510	2.6
99.08078	5.9
100.74586	2.5
101.06037	2.2
103.05499	3.8
105.07018	4.2
105.94178	2.4
107.08598	14.5
109.02858	2.8
109.10174	23.6
111.08146	3.2
111.11712	6.8
115.02424	1.9
115.03978	2.3
115.74378	1.9
116.98643	2.7
121.06529	26.2
121.10187	3.9
123.11732	30.8
127.03925	5.2
128.98579	3.7
133.06580	2.7
133.10115	3.7
134.02728	17.6
135.04404	2.5
136.06212	25.8
137.05968	4.1
139.11183	14.4
145.04967	4.0
147.04379	3.3
151.07474	2.8
151.11205	34.9
157.12238	20.6
158.99745	2.6
161.05966	4.1
163.03923	9.4
165.05522	6.9
169.12268	67.4
175.07500	2.5
177.05547	2.1
179.07001	2.2
187.13319	100.0
195.03288	2.6
203.05365	2.5
203.07130	4.2
207.62570	2.4
217.12910	3.7
219.01813	2.4
223.15459	9.5
227.11143	4.0
234.64110	6.6
235.13844	3.0
237.02814	2.3
251.06902	2.8
259.06528	7.4
263.08859	2.4
297.63171	2.4
320.10284	3.1
325.09540	3.0
339.07632	4.3
357.08585	4.8
385.10843	5.8
385.15033	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	385.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.4
55.01869	7.8
55.05515	8.4
56.96566	11.3
57.03448	15.8
61.02932	12.2
61.72361	3.0
65.72173	2.9
67.05530	5.9
69.03429	31.5
69.07064	12.2
69.52200	21.6
69.82053	3.4
70.06591	12.8
71.04997	24.1
73.02920	25.1
73.06564	33.2
79.05488	10.8
81.03428	12.9
81.07064	73.9
83.04987	6.1
84.08134	3.4
84.96033	5.4
85.02914	96.3
85.06574	4.0
87.04478	3.9
87.50125	2.9
88.02213	21.9
89.03933	3.8
91.03996	3.9
91.05482	12.9
93.07034	10.5
95.04980	7.8
97.02895	45.6
97.06544	8.1
98.97585	28.8
99.04462	8.3
99.08122	5.0
102.96896	4.7
103.05474	10.2
105.07044	11.4
107.04958	5.6
107.08590	15.0
109.02891	10.1
109.06564	4.0
109.10159	20.4
110.97585	9.0
111.11726	8.0
115.03941	15.0
116.07022	3.2
116.98632	7.7
117.03379	4.0
119.04967	5.2
120.05722	5.3
121.06516	48.7
121.10116	4.4
122.06858	8.4
123.04439	3.1
123.11717	26.4
127.03929	23.2
128.98602	4.6
129.07018	7.8
131.04922	6.5
133.06497	9.6
134.02737	36.6
135.04436	4.2
136.05167	4.2
136.06198	58.8
137.05988	10.8
139.11238	14.6
143.08629	3.0
145.02859	3.2
145.04993	34.1
145.06236	4.7
147.04396	13.8
151.07573	8.4
151.11159	25.5
153.06995	3.2
157.12224	15.4
158.99646	4.1
161.05957	20.6
162.07780	5.5
163.02718	6.1
163.03925	47.2
163.06046	11.2
163.08089	3.4
164.04272	6.3
164.05621	2.9
165.05502	20.9
168.81760	3.4
169.12248	55.2
173.06017	5.0
175.07562	10.5
177.00757	6.2
179.07014	14.4
181.04987	8.2
185.05980	6.3
187.07681	4.0
187.13306	100.0
189.03931	5.5
191.07098	4.4
193.08627	7.4
203.07060	17.3
203.33018	3.2
219.01793	7.4
221.08064	3.7
223.06136	3.5
223.15411	5.5
227.07031	3.8
235.06433	7.4
236.06227	5.1
237.02786	7.4
245.08134	11.6
250.07469	4.4
252.07256	13.0
253.07494	21.5
253.12904	5.0
255.05573	3.2
259.06537	4.1
263.09314	4.7
265.05048	3.5
268.53687	3.0
325.09628	9.3
339.07434	17.2
340.07858	5.3
349.08969	4.6
357.08691	10.2
358.08783	3.7
381.08655	5.2
382.08670	3.9
385.10916	22.0
385.15289	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05516	1.4
57.03405	0.3
65.03947	3.0
67.05499	2.9
69.07075	2.7
71.04983	0.6
71.07762	0.3
71.08092	0.4
79.05487	2.2
81.07057	6.9
83.04983	0.7
83.08623	0.7
85.06544	0.9
85.90207	0.2
91.05481	100.0
92.05822	0.5
93.07047	1.5
95.04997	0.3
95.08612	2.3
97.06516	0.6
97.10172	0.5
99.08106	1.6
105.07038	1.9
107.08586	1.6
109.06526	0.4
109.10169	1.2
111.08089	0.6
113.09621	0.4
115.05462	0.4
115.07580	0.4
117.07021	5.7
119.08592	1.0
121.10139	1.0
123.08073	0.4
123.11712	0.6
125.09632	2.7
128.06192	0.4
129.06987	3.0
131.04919	0.3
131.08563	2.5
133.10143	0.5
135.11743	0.6
141.06990	3.1
143.08572	2.3
145.06473	0.2
145.10143	1.8
147.11662	0.5
149.09599	0.2
149.13263	0.4
151.11203	0.4
155.08539	2.0
157.10114	1.4
158.32292	0.2
159.11737	0.6
161.13266	0.4
165.12790	0.4
167.08621	0.9
169.10118	1.5
171.11714	0.6
173.13310	0.3
179.08572	0.3
181.10095	1.0
183.11705	1.3
185.13252	0.2
193.10152	0.3
195.11702	0.7
197.13312	0.6
207.11694	0.3
211.14822	0.3
221.13206	0.3
225.16344	0.2
235.14818	0.3
257.19055	0.3
275.20172	0.8
277.21613	0.3
277.50235	0.2
293.21231	0.6
294.21948	0.4
349.25455	1.0
367.26355	1.7
385.27380	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.4
53.00296	0.3
53.03949	3.8
55.01870	0.6
55.05510	11.4
57.03439	2.1
57.07077	7.4
61.02927	12.0
62.29983	0.3
65.03934	0.7
67.05171	0.3
67.05504	3.2
69.03429	95.4
69.07072	2.9
70.03777	0.3
71.04992	6.9
71.08631	5.2
71.40604	0.2
71.40944	0.5
73.02938	0.4
79.05466	0.4
81.03416	7.3
81.07058	3.9
83.04980	45.6
83.08616	2.9
85.02906	4.4
85.10181	3.3
93.03402	0.3
93.07047	0.4
95.08046	0.5
95.08610	5.5
97.10159	1.5
98.97571	0.4
99.04456	21.9
105.07038	0.3
107.08614	0.4
109.10159	3.3
111.04445	19.3
111.11700	0.8
119.08472	0.4
121.10135	0.5
122.98802	0.3
123.11701	1.3
125.13247	0.3
129.05479	100.0
130.05800	0.7
137.13266	0.6
141.73103	0.2
145.01727	0.5
145.10187	0.3
147.11679	0.4
163.02834	0.7
181.03850	0.4
203.17967	0.3
233.06857	0.3
236.84430	0.3
239.23665	3.2
257.24783	0.9
269.03296	0.5
298.27194	0.3
343.17642	0.3
385.29459	37.1
386.30042	0.5
405.40176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01871	1.2
55.05510	9.7
57.03428	1.1
57.07069	4.2
65.03941	1.8
67.05171	1.5
67.05510	20.1
69.03439	1.3
69.07072	23.9
71.05003	13.6
71.58472	1.3
79.05490	13.0
80.50002	1.2
81.06580	2.2
81.07061	48.9
83.08626	11.7
85.06548	100.0
90.11787	1.1
91.05476	10.3
93.07050	37.4
95.04992	2.4
95.08613	96.6
97.06546	7.1
97.10190	6.6
98.97571	1.8
99.08103	3.0
101.84283	1.1
105.07037	20.6
107.08602	52.8
109.06535	1.6
109.10161	44.7
111.08090	2.4
111.11722	2.0
115.46283	1.1
117.07014	1.4
119.08595	24.1
121.06577	1.5
121.10153	44.6
122.47424	1.1
123.04478	1.3
123.08087	1.7
123.11701	16.4
125.09652	6.8
131.08565	4.4
133.10147	16.2
135.11694	32.0
137.13263	12.4
140.22589	1.0
145.10144	6.8
147.04341	1.0
147.11685	16.8
147.12775	1.3
149.13272	26.3
151.14842	2.3
157.10124	1.5
159.11713	7.9
161.13277	15.8
163.14838	17.0
167.14435	2.1
168.99110	1.0
171.11681	1.0
173.13298	4.1
175.14822	8.7
177.16391	14.6
179.14328	2.5
181.12250	2.2
181.15919	3.0
187.14856	4.8
189.16389	12.6
191.17960	67.8
193.15875	13.2
193.19589	1.3
195.17482	7.1
199.14996	1.5
201.16422	5.0
203.17953	14.3
205.19527	6.0
215.18008	3.5
217.19525	18.8
229.19466	2.2
231.21129	2.6
235.20523	1.1
243.21143	4.6
245.22754	1.3
245.62112	1.3
257.22647	5.2
261.22260	1.3
299.27423	2.2
315.26978	2.0
343.30045	1.6
367.33722	1.7
385.09235	1.3
385.30908	2.8
385.34711	60.9
386.35059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84130	1.6
52.08747	1.5
53.03943	2.4
55.01866	3.5
56.96538	2.4
57.03184	2.0
57.03442	20.4
59.04995	4.9
59.27983	1.5
60.04536	2.0
60.76264	1.7
61.02913	6.8
61.05478	1.4
65.39434	2.1
67.05501	2.3
69.03436	61.6
70.06618	3.7
71.04991	2.7
71.58504	2.3
72.08160	2.2
73.02900	5.2
74.50455	1.5
78.59248	1.5
79.02303	1.7
79.77514	1.7
79.94698	1.5
80.92950	1.6
81.03450	7.7
85.02912	100.0
86.09708	2.2
87.04479	46.1
91.03959	2.6
92.69213	1.7
93.33591	1.7
95.04988	4.2
97.02282	3.3
97.02902	61.6
97.22906	2.0
98.97591	2.2
99.04459	4.1
103.03966	2.7
103.05428	2.3
106.75897	1.8
109.02858	6.8
110.97560	1.7
115.03940	65.5
121.06465	2.1
123.04475	2.1
124.08868	1.7
127.03925	19.8
131.04941	7.7
132.08093	4.3
133.04977	84.7
139.03957	1.9
145.04977	45.8
149.06099	1.7
150.07610	6.6
151.03886	5.6
161.05890	1.7
163.06029	21.5
163.07405	3.4
164.07095	3.8
165.05499	2.2
167.07048	14.2
177.05499	1.9
178.08664	3.7
179.12796	2.1
181.08594	2.1
203.96944	1.7
215.05469	1.9
237.02850	2.3
237.13379	5.6
241.07173	1.8
259.08151	6.5
277.08997	3.9
295.10214	5.5
333.09036	1.9
386.14932	7.6
387.16348	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	386.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64124	12.7
55.05516	30.0
56.96562	14.3
67.05508	52.2
69.03434	14.4
69.07072	18.7
71.56670	12.6
71.57076	13.9
79.01507	12.3
79.05502	73.5
81.07059	58.6
82.07400	15.2
83.04970	11.4
84.02268	16.7
90.34437	10.9
91.05478	64.6
93.07060	78.7
95.04987	25.5
95.08601	52.5
96.08878	13.2
103.05560	14.9
105.07053	68.7
107.08595	53.6
109.10165	34.4
116.42478	13.9
117.07019	21.5
119.08578	59.7
121.06522	56.3
121.10165	28.7
129.07054	16.4
131.08580	21.4
133.10126	50.6
135.11693	31.5
145.10144	31.5
147.11700	47.9
152.41962	12.2
157.10161	17.6
159.11717	28.7
161.13226	34.1
175.14902	14.7
176.62527	11.8
241.19540	27.7
259.20569	100.0
340.62753	13.1
351.25266	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	386.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	24.8
56.96558	16.5
57.04234	11.1
59.42686	10.2
67.05515	50.7
69.07053	13.2
69.58244	76.8
79.05496	64.1
81.03455	10.8
81.07064	73.7
83.08654	13.9
91.05484	79.4
93.07043	79.3
95.08610	41.0
99.08099	18.8
105.07053	61.6
106.41742	9.4
107.08602	29.0
109.10129	17.7
117.07075	20.3
119.08583	45.6
121.06476	24.0
121.10145	33.7
123.11723	13.7
129.06975	15.3
129.33253	10.2
131.08565	31.3
133.10115	62.7
133.15219	10.6
135.11722	37.3
135.50792	9.7
147.11676	61.8
149.13290	16.7
150.09833	11.2
157.10045	10.1
159.11746	17.4
161.13228	27.7
171.11725	14.8
173.13277	12.2
175.14758	16.0
241.19554	35.6
259.20563	100.0
269.95026	10.6
294.21393	14.5
351.25339	60.7
387.27173	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	386.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	37.5
57.07082	85.2
57.22124	14.8
62.30299	18.0
67.05505	24.6
69.07072	80.3
70.70103	45.6
71.08640	87.0
79.05486	22.8
81.07061	44.6
83.08623	61.7
84.45235	13.7
85.06514	14.5
85.10190	58.1
87.78233	16.2
91.05520	22.4
92.56102	15.6
93.07027	30.6
95.08594	44.4
97.10167	75.1
99.11732	19.4
105.07030	22.4
107.08575	27.9
107.53040	16.1
109.10182	49.2
111.11716	42.4
115.07545	38.2
121.10148	24.5
125.13295	19.3
131.50618	14.8
133.10115	20.2
135.11696	25.9
139.14857	17.3
142.25832	15.7
144.10420	14.9
146.45883	14.3
147.11653	37.9
155.10602	16.9
161.13304	33.8
165.12759	36.6
169.12183	43.6
175.14774	15.1
179.14316	40.7
183.13857	54.3
193.15901	30.2
197.15413	50.8
211.16913	36.7
213.36635	17.1
239.20152	22.5
253.21729	23.9
267.23364	22.3
286.22269	15.9
287.27512	24.0
305.28333	37.1
323.29480	100.0
340.98477	15.8
386.29779	19.5
386.40323	21.8
387.25195	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	387.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67405	2.5
53.03954	5.5
55.01882	6.3
55.05525	2.6
56.96577	9.2
57.03421	14.3
61.02927	16.5
67.05509	3.6
69.03436	35.2
69.12057	2.7
70.06608	3.4
71.05018	6.0
71.55431	2.5
73.02937	12.9
79.05505	5.5
81.03426	13.4
81.07059	15.4
82.99832	4.2
84.96013	4.1
85.02912	85.5
86.03240	3.0
86.09739	2.9
87.04471	7.1
91.05499	7.5
95.04987	3.3
97.02902	37.3
98.97591	40.1
99.04483	6.9
101.00880	30.6
107.04974	4.2
109.02907	7.9
109.06559	12.3
110.97617	3.0
113.00909	4.6
115.02440	5.0
115.03943	4.1
116.98653	8.6
119.01938	41.4
120.02631	3.5
121.01746	3.7
121.06522	26.8
127.02454	3.7
127.03931	22.6
128.04242	3.4
128.98645	8.5
129.03152	5.3
131.01926	8.5
133.03496	8.1
136.06229	7.1
137.02994	3.4
137.05992	70.3
137.07060	3.3
138.06364	5.7
139.02473	6.0
143.00200	4.9
143.01927	27.6
145.03526	12.3
145.04919	17.5
146.99698	4.2
151.03880	3.2
155.01933	9.4
157.03465	29.7
158.99704	10.1
161.01294	3.0
161.02997	21.4
163.03966	5.2
165.05542	6.3
167.07138	3.5
169.02605	8.6
170.03329	2.7
171.04121	4.2
173.03033	9.4
173.06635	3.5
175.02800	3.2
175.04535	14.3
177.00780	6.6
178.03996	2.7
179.02286	5.1
181.05479	3.3
184.05818	5.3
185.06577	5.1
187.04428	25.7
190.98819	3.1
192.04758	9.1
194.07066	2.9
195.08769	3.2
195.58893	3.0
196.05029	4.1
199.08305	4.1
201.05246	6.7
203.04056	6.2
203.07686	3.3
204.09250	4.7
205.00305	4.9
205.05559	15.1
206.04491	4.6
215.08243	4.5
215.11394	5.2
219.01764	3.6
219.07858	7.5
219.57924	2.7
221.03354	4.7
221.05183	3.9
223.06657	47.8
225.06570	3.2
227.11427	3.7
228.10535	2.4
228.11530	2.7
229.04561	3.9
229.09167	13.5
236.04381	20.2
236.59352	3.5
237.08151	11.7
239.04369	13.5
241.07771	11.2
243.11006	3.7
246.12656	2.7
251.04684	3.8
257.05371	3.2
263.05954	3.2
265.07730	23.9
266.05569	11.1
267.07416	3.4
269.07834	14.3
269.58075	6.9
275.09854	4.2
279.09308	8.0
281.05719	4.1
283.08566	3.9
287.06107	8.3
293.10815	18.9
294.11127	5.5
296.06665	7.6
296.56781	3.6
296.60440	2.7
297.07397	3.9
306.14578	2.8
307.14337	3.0
309.10474	3.0
327.11658	4.1
345.12512	6.5
387.13184	100.0
388.13846	4.9
400.19022	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	387.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42372	0.4
56.95132	0.5
57.27952	0.5
65.03937	1.7
66.10023	0.6
67.05499	0.7
69.07069	0.6
71.40332	0.7
78.29334	0.5
79.05495	0.7
85.06541	1.4
91.05483	15.2
93.07050	1.2
95.04978	0.6
95.08599	0.9
97.06516	0.7
101.85593	0.5
105.07058	0.8
107.04980	2.1
107.08569	0.7
115.05492	0.7
118.37206	0.5
119.04954	25.5
121.02836	1.0
121.06498	1.8
121.10201	0.6
123.04522	0.9
133.64619	0.7
137.05998	14.0
137.09650	1.5
147.04420	100.0
148.04750	1.1
149.02364	1.9
151.03938	1.6
153.05490	1.7
159.58118	0.5
161.09470	0.6
164.07062	1.5
165.05461	1.0
165.09123	1.9
167.03444	2.0
167.07115	0.9
179.07082	1.0
181.04977	12.3
191.07057	0.8
191.14412	0.6
207.13818	1.3
208.09648	5.4
219.06558	1.1
225.14886	2.6
314.13965	0.6
327.08722	2.2
343.11722	0.8
345.09961	0.6
357.13251	1.1
369.09720	0.7
387.14374	3.4
387.19397	0.9
411.17136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
57.02766	0.2
66.95551	0.2
67.05505	0.5
69.03426	0.8
69.63260	1.2
69.63665	0.5
78.04720	1.5
79.05479	1.2
81.03432	0.4
81.07048	0.2
85.02906	1.1
86.09703	0.4
91.05479	0.4
93.07045	0.6
95.01337	1.8
95.04977	2.5
97.02885	0.9
98.20801	0.3
103.05466	0.4
105.07030	1.3
106.04166	1.2
107.04952	1.4
109.02863	0.4
119.04935	0.3
121.06483	1.1
122.03616	0.4
123.04432	5.0
124.05222	1.5
127.03887	0.4
129.01791	0.3
133.06490	1.1
134.03641	0.4
137.05956	0.6
141.01820	0.7
149.05968	1.5
151.03903	4.9
152.04681	1.8
161.06001	1.2
165.05478	4.7
165.09097	0.3
166.06265	0.3
167.07039	100.0
168.07368	1.0
177.03984	0.3
179.07074	0.4
181.08586	1.5
193.04968	0.7
193.08595	3.7
211.09654	3.6
314.18442	0.3
323.11252	0.4
338.04092	0.3
338.08298	0.3
387.16507	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	387.129
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
51.02374	0.6
52.25837	0.4
53.03936	1.2
55.05507	0.5
55.95291	0.4
56.96563	0.7
57.03440	0.8
57.16332	0.4
61.02921	0.8
65.03924	0.5
67.05493	1.8
68.35211	0.4
69.03435	3.7
69.78887	2.7
70.06591	0.6
71.04974	0.4
72.08133	0.4
73.02902	0.5
78.04706	1.5
79.05489	1.8
81.03423	1.9
81.07072	0.7
85.02909	5.2
91.05482	1.9
92.53966	0.4
93.07027	1.1
94.92458	0.4
95.01332	1.0
95.04362	0.8
95.04976	16.2
97.02885	3.5
99.04421	0.8
103.05464	1.0
105.04512	0.8
105.07036	1.9
106.04178	0.9
107.04969	1.4
109.02863	1.2
109.06513	0.8
115.05444	0.4
119.04936	1.0
121.06525	1.6
121.10157	1.0
123.04437	11.1
123.08046	0.5
124.05200	1.5
127.03944	2.8
131.04898	0.5
133.05009	0.5
133.06508	1.5
135.04378	0.5
137.05980	1.8
141.01816	0.9
145.04955	1.6
147.04388	0.9
149.05972	2.5
151.03914	21.2
152.04695	1.3
159.04501	0.8
161.06004	1.6
163.11314	0.5
165.05490	27.2
167.07050	100.0
168.07413	1.5
175.03975	1.2
177.04054	0.8
177.05531	1.5
181.08638	1.3
183.06522	2.6
193.05000	4.8
193.08611	4.2
195.06465	0.4
207.06549	1.6
207.13815	1.5
209.08049	1.2
211.09692	3.7
225.07607	2.6
225.11040	0.6
225.14723	1.1
238.01164	0.5
369.13226	0.7
387.16418	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	387.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.8
55.74316	6.9
55.75917	7.5
56.96553	17.5
57.03459	16.5
61.02906	11.6
69.03431	23.7
70.50879	21.1
73.02920	12.3
81.03419	16.2
85.02913	95.6
87.00816	25.6
91.05489	11.6
95.04956	12.6
97.02886	31.2
98.97560	17.6
100.44060	7.6
103.03928	25.5
105.01872	18.6
107.08572	7.6
109.02895	15.1
110.97556	13.4
117.07030	21.2
121.06496	22.1
123.08057	15.5
127.03912	47.7
131.08505	9.8
133.10132	10.1
135.08037	10.1
145.05011	13.7
145.06473	17.6
151.03952	8.7
151.07491	10.5
159.07994	10.2
163.07523	27.2
163.11195	28.8
165.05515	11.9
173.06053	9.5
175.07581	8.0
187.07527	47.5
189.03908	16.8
189.12686	12.0
201.09062	7.9
205.08699	8.4
207.13843	100.0
219.01813	7.8
225.08040	34.9
225.14830	16.6
229.08607	35.7
237.02802	11.0
243.09081	33.7
247.09650	23.6
261.10165	9.2
387.12720	65.2
387.20642	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	387.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
56.96560	0.9
57.03421	1.2
61.02917	1.4
64.54080	0.4
69.03441	3.2
69.93496	1.5
69.93907	0.7
70.99854	0.7
73.02887	0.7
75.81937	0.5
81.03420	1.0
81.07032	0.6
82.99850	1.4
83.96442	0.4
85.02908	7.0
87.04472	1.1
89.00859	0.5
91.05514	0.4
93.07106	0.4
97.01435	0.4
97.02893	4.0
98.97596	3.9
99.04433	0.5
101.00886	21.1
103.00645	0.8
109.06519	0.6
110.97595	0.4
112.75164	0.4
113.00893	1.0
115.02457	2.2
116.98660	1.0
119.01928	25.8
119.04898	0.4
120.03324	0.4
121.01637	0.7
121.04262	0.5
121.06503	2.7
123.05547	0.7
127.02431	2.6
127.03921	1.8
128.98640	0.8
129.03111	0.5
129.03957	0.5
131.01927	2.1
133.03474	3.1
136.06236	1.0
137.02939	1.1
137.04602	5.1
137.05971	2.9
139.02408	4.3
142.03563	0.5
143.00191	0.7
143.01907	10.7
143.68338	0.4
145.01646	0.6
145.03481	6.3
145.04976	1.1
146.99550	0.5
152.05699	2.2
157.03474	22.5
158.03586	0.5
158.99716	1.3
159.03232	0.6
161.01413	0.8
161.02963	7.0
163.04651	3.9
164.04929	0.5
165.05481	1.0
169.02466	0.8
169.03712	0.6
171.05072	1.5
173.02998	0.7
175.04536	8.7
175.37373	0.4
177.00714	0.6
178.03075	0.6
179.02266	1.0
181.05585	2.4
185.06573	1.0
187.04483	2.4
189.06195	0.7
192.04678	2.3
194.07083	1.4
200.97186	0.4
201.05188	1.0
203.03992	0.5
205.05592	13.1
206.04373	0.8
207.05145	0.6
214.55965	0.5
215.04901	0.7
219.01674	0.6
220.04057	0.7
221.03281	1.0
223.06647	33.8
224.06790	0.8
225.06433	0.9
229.04813	0.9
231.98924	1.1
236.04512	1.0
239.04341	3.0
241.07713	6.3
246.08325	0.6
249.10443	0.4
261.08228	0.5
265.07721	10.8
266.07932	0.6
267.07477	1.3
269.07843	2.1
274.23547	0.4
277.07755	1.7
279.09299	9.3
281.05493	0.8
281.08701	0.5
282.08142	0.6
287.05939	0.8
291.09308	0.7
296.06717	1.3
307.09323	0.5
309.04419	0.6
311.09866	0.8
323.09747	1.0
345.00281	0.7
387.13504	100.0
388.13708	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	387.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
57.06503	0.5
58.99820	0.4
61.02922	1.1
62.73877	0.3
69.03439	1.9
70.99868	0.5
71.18031	0.7
73.02909	0.6
81.03422	0.6
82.99835	3.0
85.02916	4.2
92.65359	0.5
97.01404	0.6
97.02892	1.3
98.97593	1.5
101.00888	21.0
102.00983	0.5
113.00865	0.7
114.19000	0.4
115.02418	2.2
117.04008	0.6
119.01929	19.7
121.01685	0.4
127.02435	2.6
127.03927	1.0
129.03944	0.4
131.01895	1.4
133.03453	3.0
137.02960	0.9
137.05980	0.5
138.92653	0.5
139.02425	4.8
143.00188	0.5
143.01909	8.5
145.03473	5.0
145.04976	0.9
155.01923	0.5
157.03481	18.8
158.03697	0.5
158.99699	0.8
161.01605	0.5
161.02968	5.2
163.04575	4.5
164.12958	0.4
165.05527	0.6
167.07094	0.5
169.03461	0.7
171.05077	1.0
175.04550	7.6
181.05586	1.8
187.04591	0.7
198.06026	0.4
201.05312	0.6
205.05569	11.1
212.08527	0.4
215.04910	0.5
223.06647	32.1
224.06932	0.9
225.06306	0.9
239.04265	0.6
241.07668	4.8
241.09673	0.5
242.10410	0.4
246.08266	0.9
258.21210	0.4
265.07697	10.2
266.07785	0.7
267.07532	0.9
277.07837	1.3
279.09286	8.9
281.08737	0.9
291.09113	0.6
329.10437	0.6
369.10748	0.5
387.13507	100.0
388.13696	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	387.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22801	0.3
66.08395	0.3
68.53361	0.3
70.52133	0.3
70.99849	0.5
71.42570	0.6
82.99826	2.3
97.01485	0.4
98.97598	1.0
99.32753	0.4
101.00886	23.9
103.00605	0.4
106.93158	0.4
111.43248	0.4
113.00887	0.6
115.02452	1.5
117.04042	0.3
119.01927	23.2
127.02428	2.4
131.01918	1.3
133.03482	2.9
137.02934	1.4
139.02411	5.0
142.03532	0.4
143.01898	8.5
144.02086	0.4
145.03477	5.8
157.03479	23.0
161.02969	5.3
163.04539	5.1
169.03549	0.9
171.05106	0.8
172.07539	0.4
175.04541	9.4
181.05595	1.6
187.04584	0.7
189.06227	0.6
201.05247	0.9
205.05440	11.1
215.04967	0.9
223.06641	34.0
224.06789	0.6
225.06526	0.6
230.91010	0.4
241.07706	5.8
246.08295	0.7
264.25165	0.4
265.07724	9.8
267.07578	0.4
277.07718	1.0
279.09286	9.0
291.09210	0.7
296.07755	0.9
369.11719	0.5
387.13495	100.0
388.13690	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	387.1438
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.14776	0.3
55.01875	0.3
63.58037	0.3
65.03929	1.7
65.36735	0.3
67.05518	0.6
71.08764	0.6
72.55132	0.4
79.05483	1.1
81.03422	0.5
81.07050	0.6
85.02921	0.8
91.05488	14.3
93.03405	0.7
94.04203	1.7
95.04974	0.5
98.21349	0.3
103.05466	2.2
107.04961	0.8
109.06521	1.0
110.03662	0.4
115.05456	0.9
117.07019	1.1
118.04184	0.4
119.04951	7.5
121.02865	0.8
121.06529	0.4
122.03651	3.7
123.04459	0.5
124.42610	0.5
125.05982	0.4
131.04941	2.1
133.06543	0.4
137.05986	100.0
138.06316	0.6
139.03893	1.5
143.04922	1.3
145.06514	1.0
147.04439	0.7
148.05226	1.5
149.02361	1.0
151.03929	6.6
151.05069	0.6
153.05429	0.5
155.06032	0.5
161.06058	0.9
163.07594	2.4
165.05475	0.6
167.03409	6.1
167.07050	5.4
173.06024	1.8
175.07617	0.8
179.07040	2.6
181.04973	13.6
187.07658	0.8
189.09091	0.4
191.03418	0.6
191.07037	7.8
193.08614	0.4
203.07042	0.7
205.08652	1.3
209.04494	1.4
233.08173	0.4
235.07542	0.5
235.09660	1.1
258.26270	0.4
263.09244	0.4
299.09216	0.9
307.09686	0.4
309.07938	0.4
345.09830	3.4
351.12320	0.6
355.11929	0.6
357.13351	6.7
369.09686	0.7
387.14410	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	387.1439
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
52.90684	0.6
53.03901	1.3
55.01812	4.8
55.65505	0.6
65.03876	1.9
65.04192	0.6
69.03387	1.2
69.79172	2.8
78.04662	1.6
79.05504	4.5
81.06998	0.9
85.02863	0.8
91.05405	1.8
93.03324	1.1
93.06998	0.9
95.04890	2.8
98.20805	0.9
103.05464	4.7
105.06972	1.1
106.04120	1.2
106.28108	0.7
107.04955	9.4
109.06470	1.0
110.03589	0.8
115.05466	4.5
117.07042	3.1
118.04118	0.7
121.02727	0.6
121.06423	1.1
122.03619	0.9
123.04442	6.7
124.05100	2.8
125.05967	0.7
128.06181	1.5
129.07030	5.4
131.04935	6.3
131.05835	1.0
133.06425	1.0
135.04420	18.8
137.05052	0.6
137.05988	8.1
139.03816	2.3
140.04681	0.8
143.04933	5.2
145.06473	5.2
147.04317	2.1
149.05945	3.0
151.03807	1.1
152.04590	2.7
153.05382	2.1
155.04898	4.4
157.06502	6.1
159.04419	2.9
161.05983	10.1
165.09009	0.7
167.07047	72.6
171.06451	0.8
172.05159	0.9
173.05998	11.8
175.07446	2.6
177.04224	0.6
177.05467	5.5
178.07730	1.2
179.07063	4.3
181.04962	15.8
183.06447	2.0
185.04477	1.2
185.05983	16.0
186.06790	3.7
187.07559	5.7
189.05420	1.5
189.06947	2.2
190.07719	1.2
191.06961	1.5
191.08524	1.4
193.10127	1.3
202.07776	1.3
203.06915	2.6
203.08609	4.3
205.06436	2.2
205.08290	0.8
205.10141	1.0
206.07178	2.9
207.08095	1.0
209.06285	0.7
209.08046	4.1
215.06923	2.4
215.08627	1.7
217.06407	2.5
217.08235	0.7
218.07248	3.4
219.08025	2.2
220.08737	1.2
221.09706	6.8
223.07668	0.8
225.07573	0.8
231.08011	2.8
232.08791	0.9
233.05966	1.1
233.07709	1.1
233.09961	3.0
234.06641	3.4
235.07439	2.1
236.08345	1.7
237.09079	0.8
243.08170	1.0
246.06700	2.0
247.07558	7.1
248.08159	2.0
249.05431	1.5
249.09129	7.7
250.06236	1.1
250.09872	0.8
251.07051	1.2
259.07547	2.9
260.08099	0.9
261.09082	6.4
262.06235	1.4
263.07019	3.2
264.07822	8.8
265.08484	1.4
275.07019	5.0
276.07852	4.5
277.08554	2.7
279.06784	1.2
279.10114	6.3
281.11469	0.7
287.06833	1.2
289.08441	1.9
290.09406	1.5
291.06482	2.8
291.10089	4.1
292.07321	2.7
293.08060	2.3
304.07309	1.3
305.08099	1.2
307.09683	7.8
308.10413	2.1
309.07703	1.5
309.11176	2.0
311.09067	4.4
319.09680	6.4
320.10086	0.8
323.09061	0.8
324.09854	4.5
327.12122	0.8
337.10626	1.9
339.12296	22.8
351.12228	8.4
357.13333	100.0
358.13541	1.9
369.13358	11.6
387.14392	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03942	0.5
55.01860	0.6
59.37587	0.4
65.03934	1.7
67.05505	0.7
69.51097	2.7
79.05486	0.7
80.79852	0.4
81.03410	0.4
81.07059	0.4
85.02898	0.6
91.05489	13.9
93.03412	0.5
93.47549	0.4
94.04205	1.6
94.04754	0.4
95.04979	0.9
103.05473	2.3
107.04969	0.7
108.02110	0.5
109.06525	0.9
113.23837	0.3
113.55176	0.3
115.05457	1.0
117.07035	1.6
119.04957	7.0
121.02878	1.0
121.06540	0.3
122.03663	3.9
123.04453	0.4
131.04938	2.4
133.06442	0.4
137.05986	100.0
138.06311	0.4
139.03909	1.2
142.02670	0.4
143.04947	1.6
145.06503	1.3
147.04424	0.6
148.05179	1.0
149.02373	0.7
151.03925	7.9
151.05049	0.6
153.05498	0.6
155.06146	0.4
161.06030	0.8
163.07524	2.1
165.05489	1.1
167.03386	5.6
167.07051	6.5
173.06023	1.5
175.07658	0.7
177.05431	0.5
179.07031	2.7
181.03381	0.9
181.04968	15.2
187.07516	0.7
191.07057	7.5
195.06389	0.4
203.07085	0.9
205.08672	1.3
209.04500	0.8
209.08116	0.5
211.07684	0.4
233.08023	0.6
234.68623	0.4
235.07613	0.5
235.09740	1.3
299.09323	0.5
345.09695	4.4
351.12119	0.6
355.11938	0.6
357.13385	7.0
367.55673	0.4
369.09616	0.9
369.13583	0.8
380.55969	0.4
387.14420	20.8
403.57742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05502	1.0
56.96552	1.6
57.03432	1.1
61.02919	1.6
62.87794	0.6
65.03940	0.8
66.54420	0.6
67.05509	1.2
69.03436	4.6
69.07080	1.4
70.06595	1.3
70.76606	1.8
71.05006	1.4
73.02916	1.4
79.05479	1.9
81.03407	2.0
81.07049	2.9
81.77493	0.6
83.04977	1.3
83.08585	0.7
84.04517	0.7
84.20692	0.7
85.02914	8.9
85.06521	0.7
86.09712	2.1
87.25494	0.6
91.03918	0.8
91.05467	2.6
93.07054	4.5
95.04964	2.8
95.08597	1.7
95.22552	0.6
97.02875	3.4
97.06519	0.8
98.97581	2.0
99.04442	1.9
105.07035	3.2
107.08613	3.7
109.02917	1.1
109.06512	2.0
115.95633	0.6
118.85644	0.7
119.04951	2.6
119.08569	2.6
120.05290	1.2
121.06491	2.6
121.10111	2.0
123.04424	2.0
123.08064	4.1
123.11694	0.7
124.04762	1.0
125.09611	0.8
127.03910	1.8
131.08569	0.9
133.06544	0.7
133.10138	1.8
135.08081	1.2
135.11671	1.7
137.06024	0.8
137.09604	2.4
145.04971	2.3
145.10106	1.1
147.04399	2.8
147.11690	3.6
149.09624	5.9
149.13173	0.7
150.40939	0.6
151.03926	1.6
151.07550	2.6
151.11157	1.6
155.10699	2.2
156.09346	0.7
158.99606	1.1
161.13245	1.6
163.03883	0.9
163.11143	3.3
165.05424	1.6
165.09102	1.2
165.12782	2.1
167.10667	0.7
171.11722	0.8
178.08646	0.9
179.08932	1.0
181.12259	2.6
189.12766	3.1
191.14311	1.7
201.03658	0.8
207.13814	16.3
209.11563	4.8
223.09682	1.2
225.07932	0.7
225.11000	1.9
225.14862	15.9
237.04523	0.7
258.68137	0.7
297.06268	0.8
369.15176	10.1
387.16583	100.0
388.16022	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87779	0.3
56.96571	0.5
60.34243	0.3
64.96529	0.3
70.95828	0.4
80.67183	0.4
85.02912	0.7
95.04965	0.5
97.02908	0.3
98.97573	0.5
115.99940	0.4
121.06535	0.6
121.10184	0.3
144.88965	0.3
151.03938	0.4
207.13863	0.8
221.29105	0.4
225.07980	0.8
225.10995	2.7
229.65361	0.3
237.02829	0.5
243.08928	0.6
263.81461	0.3
267.12155	0.6
369.15225	0.5
387.16315	100.0
388.16562	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60622	0.3
56.96561	0.3
57.03444	0.4
59.13510	0.3
61.02930	0.4
69.03417	1.2
71.08069	0.5
74.65822	0.3
79.05473	0.5
81.03417	0.5
81.07065	0.4
84.08131	0.6
85.02920	1.3
93.07014	0.6
95.04977	2.6
97.02872	0.9
105.07041	0.9
107.08599	0.7
110.97600	0.3
119.08612	0.7
121.06500	0.7
121.10140	0.4
123.04422	0.7
123.08118	0.8
127.03912	0.6
133.10118	0.6
147.04387	0.5
147.11719	0.7
149.09666	0.5
149.80391	0.3
151.03911	3.7
151.07549	0.4
151.11328	0.3
161.13269	0.4
163.11197	0.5
164.07062	2.0
165.05479	4.1
165.12733	0.4
185.04366	0.3
193.05032	1.0
207.13828	3.2
211.06175	0.4
225.07825	0.7
225.10992	3.0
225.14896	0.4
227.12669	0.6
241.07813	0.4
243.09120	0.9
255.12157	0.5
295.08188	0.4
297.13062	0.8
369.15097	0.5
387.16302	100.0
388.16632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93119	0.3
60.59599	0.3
69.03424	0.6
70.06585	0.4
70.69926	0.9
81.03436	0.3
85.02898	1.4
95.04984	1.7
97.02932	0.6
109.02879	0.6
117.07025	0.3
123.04432	0.6
126.68489	0.3
127.03936	0.7
151.03926	2.2
164.07068	2.5
165.05444	2.3
165.07463	0.4
176.78310	0.3
193.05019	0.5
207.13887	0.4
225.11057	1.5
243.10854	0.4
387.16278	100.0
388.16635	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60370	0.4
67.05493	1.1
69.03429	1.7
69.46173	1.4
69.46607	1.7
71.01344	0.4
81.03424	1.2
81.07066	0.7
85.02907	2.9
87.00836	0.5
91.05496	0.6
93.19349	0.4
95.04977	10.0
97.02888	1.4
99.04494	0.7
102.74664	0.4
105.01844	0.5
109.02879	1.9
117.07069	0.5
118.20755	0.4
119.04940	0.7
121.06503	1.2
123.04459	3.2
123.08019	0.5
127.03911	1.5
132.04419	0.4
145.04974	1.1
147.04399	0.9
151.03912	12.4
163.07547	0.6
164.07109	3.9
165.05492	13.0
165.07420	1.1
167.07048	0.7
183.06616	0.7
187.07614	0.6
189.04091	0.4
193.04987	3.4
207.10092	0.7
207.13908	0.8
225.07611	0.8
225.11067	0.7
229.08604	0.7
247.09621	0.5
248.90038	0.4
387.16287	100.0
388.16766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	2.4
55.05518	1.9
57.03438	9.9
61.02929	2.9
65.03931	1.1
65.43555	1.2
67.05494	2.9
69.03432	13.3
69.07067	1.6
70.06761	3.3
71.04993	2.7
73.02915	2.1
79.05491	2.1
81.03424	4.2
81.07045	3.3
83.04985	1.6
85.02424	1.6
85.02911	21.6
87.04469	3.6
91.03951	1.8
91.05481	6.8
93.07059	11.1
94.07394	1.1
95.04969	7.2
95.08589	5.3
97.02902	14.2
97.06537	1.8
99.04452	2.7
99.08088	3.5
101.05997	1.3
103.05480	4.8
104.00744	1.1
104.05788	1.8
105.07027	6.6
107.08580	8.4
109.02888	3.6
109.06507	4.8
109.10178	4.0
111.08082	1.6
115.03932	2.1
118.06530	1.9
119.08578	7.1
121.06524	29.2
121.10143	11.1
122.06824	9.4
123.04485	1.6
123.08068	10.8
123.11687	2.1
125.02350	1.7
125.09598	2.0
127.03924	4.0
131.08575	2.6
133.10135	11.2
135.08054	9.7
135.11746	4.1
137.05984	2.9
137.09636	6.1
137.13246	2.1
139.03951	3.8
139.11194	1.4
143.03452	1.7
143.08549	1.2
145.04944	4.8
145.10118	3.0
146.06017	5.4
147.06380	3.4
147.08058	1.1
147.11690	4.8
149.09621	7.0
149.13274	3.1
151.07585	3.9
151.11188	5.3
153.09082	2.2
161.13327	2.0
163.11203	12.7
163.14830	2.2
164.07094	2.6
165.05428	1.5
165.09113	3.1
171.11754	1.5
173.13248	2.1
177.09103	1.1
178.08704	7.1
179.09012	4.4
180.06575	1.2
180.10237	1.9
181.12271	5.4
188.07076	1.4
189.07372	1.3
189.12727	7.5
191.14342	7.4
206.08231	1.6
207.13820	100.0
208.09676	4.5
209.15378	21.7
217.07025	1.3
220.09737	3.5
221.09993	5.7
222.11325	11.5
223.11649	15.7
224.12801	3.0
225.07584	2.4
225.14883	8.8
227.16501	2.0
244.99170	1.0
248.09154	2.5
249.09491	5.8
250.10777	4.6
266.10245	19.2
267.10574	29.7
287.08746	1.7
369.19345	1.3
387.16235	27.9
387.20288	13.0
388.17584	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	387.2012
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
52.90036	2.4
53.03940	3.1
55.01862	3.8
55.05501	4.5
56.96556	8.2
57.03424	7.3
61.02919	3.5
65.03943	3.9
67.05495	4.7
69.03434	20.5
69.07067	3.2
70.06584	5.3
70.95863	2.6
71.04985	2.4
71.56527	2.4
71.56903	2.9
73.02916	3.5
79.05486	6.7
81.03409	8.9
81.07053	7.7
83.04971	5.9
85.02437	2.1
85.02910	29.0
86.09694	2.7
91.05479	12.6
93.03402	4.7
93.07039	25.5
95.04939	7.4
95.08594	6.2
97.02880	11.6
97.06498	2.8
98.97580	9.8
99.04453	2.9
103.05458	2.5
105.07024	15.0
107.08590	24.5
109.02909	2.8
109.06522	5.7
109.10179	2.0
110.97539	2.2
111.04444	4.0
112.99145	4.9
119.08565	9.3
121.02876	5.3
121.06517	25.6
121.10122	10.8
123.08079	16.1
127.03906	6.4
129.02214	2.9
129.05496	4.3
132.95805	5.3
133.10123	13.0
135.08035	10.4
135.11703	9.3
137.05956	8.9
137.09604	7.2
139.03873	4.8
144.95839	5.1
145.04942	5.3
145.10109	4.1
147.03264	3.6
147.08031	5.5
147.11713	11.6
149.02341	12.6
149.09605	7.7
151.07535	3.3
151.11217	3.5
155.03851	2.7
158.97511	1.9
158.99635	2.7
159.11708	2.6
159.81813	2.0
161.13277	4.6
162.96956	2.6
163.11185	18.6
165.09099	5.9
165.12814	5.4
167.03410	29.6
171.11884	2.1
173.04854	3.1
174.96922	9.5
177.12697	4.9
181.03374	3.0
181.04982	49.1
181.12227	10.7
189.12776	10.5
207.06639	2.4
207.13821	100.0
209.11505	3.2
209.15211	2.6
219.01668	3.1
219.38786	2.0
223.06033	8.8
225.05823	3.5
225.07933	7.9
225.11282	2.4
225.14879	32.0
234.99023	3.8
243.09039	12.8
249.05629	3.3
261.05655	2.8
261.10114	4.0
267.06796	19.5
279.06772	11.7
281.70132	2.3
295.08142	2.5
324.43823	2.3
351.13437	2.3
360.22964	2.3
369.15091	15.7
369.19424	4.0
386.69241	3.1
387.15808	80.9
387.20215	34.8
388.17114	5.8
405.14252	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
57.07080	3.5
67.05512	25.3
69.07069	2.6
70.85675	7.4
79.05502	3.0
81.07054	5.4
84.77460	2.7
85.02927	4.9
85.06550	13.4
91.05460	4.2
93.07047	8.0
95.04954	4.0
95.08614	100.0
105.07040	4.8
107.08599	7.2
113.05993	9.7
119.08593	14.2
121.10143	6.5
123.08081	31.9
123.11734	3.0
133.10173	3.5
135.11722	14.4
137.09605	4.0
147.11688	6.6
149.09636	23.7
151.03925	3.8
151.14862	3.4
161.13237	15.1
163.11183	8.3
165.05397	2.9
165.12810	8.2
167.07031	4.3
169.42415	2.5
177.05586	2.4
179.14310	4.1
189.12756	17.1
207.13841	67.5
263.20523	2.7
264.98505	3.2
280.30136	2.7
378.02902	2.7
387.15802	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	387.2532
Annotation	Atranone D
Peak:m/z	Relative Intensity
53.03942	5.4
55.01863	6.3
55.05517	20.9
57.03436	1.8
57.07072	1.9
59.42772	1.5
65.03939	2.0
67.05177	2.3
67.05511	36.7
69.03429	16.0
69.07078	15.6
69.92646	7.0
71.04977	3.9
73.30663	1.4
79.05060	2.2
79.05500	30.4
81.03425	14.6
81.07066	35.4
83.04983	10.6
83.08631	9.7
85.02901	3.4
91.05483	26.8
93.07050	39.3
95.04980	12.1
95.08606	22.8
97.02911	10.0
97.06540	5.0
97.10165	2.1
99.04462	1.8
105.07040	31.7
107.04980	7.6
107.05621	1.5
107.08603	22.0
109.02875	4.7
109.06503	4.4
109.10165	12.3
111.04453	14.0
115.05427	2.2
117.07030	21.1
119.08586	24.4
121.06507	5.3
121.10132	18.3
123.04421	5.4
123.08029	2.5
123.11732	3.7
125.06058	1.7
126.79006	1.7
128.06200	3.6
129.07001	13.4
130.07796	2.3
131.04948	3.0
131.08562	24.5
133.06537	8.1
133.10138	16.2
135.04393	3.3
135.08022	5.9
135.11719	12.3
137.05975	6.3
137.24615	1.5
139.11131	2.2
141.07013	4.6
142.07774	3.0
143.08589	13.7
145.06497	6.9
145.10135	20.4
147.08046	6.6
147.11674	9.8
149.05994	3.4
149.09630	4.6
149.13280	5.5
151.03798	1.8
151.07538	4.2
151.11182	1.9
153.07005	2.5
154.07776	2.5
155.08594	9.1
156.09286	1.9
157.06517	3.2
157.10162	14.3
159.08084	4.1
159.11676	11.6
161.06041	1.9
161.09578	5.3
161.13319	5.2
163.11247	3.1
165.07022	1.9
165.09129	1.9
167.08539	4.2
169.10136	9.3
171.08043	6.2
171.11736	10.7
173.09631	3.5
173.13248	7.1
175.07465	2.8
175.11205	4.4
175.14857	2.5
177.09100	2.1
177.12764	1.7
179.08595	2.8
181.10156	5.5
183.08044	2.2
183.11807	7.3
185.09653	6.6
185.13298	9.6
187.07547	2.2
187.11195	5.1
187.14838	3.7
189.09148	3.4
189.12759	4.6
193.10196	2.7
195.11708	5.4
197.09669	2.0
197.13300	3.7
199.11263	4.7
199.14818	6.2
201.09183	2.4
201.12808	2.7
203.10797	2.1
205.12146	1.9
207.11659	2.6
209.13226	4.5
211.11232	2.1
211.14864	3.1
213.12756	2.3
213.16417	2.8
225.12689	2.0
227.14320	2.6
237.16463	2.3
239.14384	2.9
243.13666	1.9
249.16760	1.7
259.20523	4.5
277.21613	12.3
289.21680	3.5
301.21634	3.0
305.22141	1.6
313.21475	2.3
315.23203	2.2
323.23688	5.3
327.23172	7.5
341.24716	14.2
349.30057	1.6
351.23236	14.0
359.07858	1.6
359.25827	2.2
369.19409	2.0
369.24237	61.7
387.25320	100.0
387.29565	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	388.1758
Annotation	Preocoteine N-oxide
Peak:m/z	Relative Intensity
50.01592	0.5
51.02368	0.7
53.03951	3.8
55.01873	0.4
61.70780	0.4
65.03947	0.4
71.55872	0.6
77.03927	0.9
81.03419	0.6
91.05488	14.0
93.07056	22.0
95.04989	3.8
103.05482	16.1
105.04520	1.6
116.04995	0.7
116.69199	0.4
119.25666	0.4
120.04520	0.6
121.06519	100.0
122.06876	1.0
123.08103	0.5
133.88187	0.4
144.04457	6.3
149.57672	0.4
164.07077	0.5
172.03935	3.3
176.07086	17.0
204.06577	17.0
204.08437	0.9
207.13847	0.6
208.09799	0.9
208.14195	1.5
211.84473	0.4
219.01816	0.5
236.09183	14.3
254.83740	0.4
268.11838	8.1
296.12891	0.9
304.08188	0.4
324.12280	2.7
356.14954	17.7
370.15674	0.5
388.17712	63.9
389.18253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07145	0.3
53.03942	0.3
68.64713	0.3
69.45127	1.9
69.45525	0.4
91.05471	0.7
93.07039	1.0
103.05451	1.3
104.04984	0.4
104.63210	0.3
120.08101	0.9
121.06510	9.2
122.06046	0.8
132.04469	1.0
134.06042	0.3
150.05473	1.3
164.07071	32.9
166.08623	0.3
178.08609	0.3
194.08130	7.3
208.09692	100.0
209.10214	2.1
210.11304	0.4
223.68979	0.3
268.11880	0.8
314.13879	8.8
346.16495	0.9
351.64468	0.3
388.17538	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1756
Annotation	Preocoteine N-oxide
Peak:m/z	Relative Intensity
53.03940	2.7
55.01872	0.7
62.15737	0.7
69.36762	5.6
77.03909	0.9
79.05492	1.0
91.05480	10.0
93.07050	14.8
95.04961	1.9
96.86343	0.6
98.21392	2.2
101.95560	0.6
103.05472	11.2
105.04522	1.1
106.06557	0.9
110.90499	0.7
117.05764	3.7
121.06512	57.3
122.06835	1.0
130.06580	3.3
131.07288	0.8
132.08086	8.6
134.06001	1.0
158.06017	9.6
160.07588	22.3
164.07057	0.9
176.07056	5.7
178.08632	0.9
186.05516	4.3
190.08647	18.8
192.10204	69.9
193.10631	1.0
194.08113	1.0
204.06601	4.5
208.09680	4.0
218.08148	16.1
224.12842	3.4
236.09187	78.0
237.09473	1.2
250.10776	3.9
268.12012	1.6
305.01859	0.7
356.14987	2.8
388.17551	100.0
389.17792	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	388.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87251	0.1
53.03953	0.2
54.30206	0.2
55.01864	0.2
55.05502	0.2
69.35809	1.4
71.04993	0.3
79.05482	0.2
84.70290	0.2
85.59557	0.2
91.05482	1.3
92.05023	0.2
93.07048	1.5
95.04960	0.4
95.08549	0.2
97.02901	0.5
99.04450	0.3
103.05488	0.9
104.04998	0.5
105.04536	0.3
105.07042	0.5
110.06060	0.2
119.08539	0.2
120.08117	0.8
121.06514	9.4
122.06039	0.6
132.04463	1.1
133.10129	0.7
134.06053	0.2
137.05949	0.4
149.08456	0.2
150.05537	1.8
151.03897	0.2
161.09502	0.2
164.07076	32.7
165.05533	0.3
165.07510	0.5
166.08633	0.3
175.11218	0.3
192.10184	0.5
193.12280	0.2
194.08124	6.1
201.59444	0.2
208.09700	100.0
209.10323	2.2
210.11278	0.3
211.13347	0.3
213.06361	0.2
224.09195	0.2
226.10764	0.2
236.09253	0.3
268.11798	0.8
314.13882	7.4
341.24081	0.2
346.16461	0.6
365.61963	0.2
388.17813	2.2
396.75226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28453	0.3
68.69630	0.2
71.48834	0.3
78.40214	0.3
85.34171	0.2
87.02220	0.2
91.05473	1.0
93.07034	1.2
94.72003	0.2
94.77700	0.3
103.05464	0.9
104.05035	0.3
107.08637	0.3
120.08092	1.0
121.05638	0.5
121.06508	7.9
122.06034	0.5
132.04456	0.8
134.06067	0.4
135.08055	2.0
149.08376	0.5
150.05499	1.9
164.07068	33.0
165.07385	0.3
191.14346	1.6
194.08124	5.6
208.09692	100.0
209.10382	2.1
210.11276	0.3
268.11774	0.8
314.13843	9.0
332.98853	0.3
346.16473	0.5
388.17505	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
69.21729	2.9
71.41342	0.3
91.05480	0.9
93.07046	1.1
95.04988	0.4
95.38518	0.3
98.21109	1.7
103.05474	1.3
120.08076	1.0
121.06505	8.1
132.04439	1.1
134.05969	0.4
150.05524	1.3
164.07074	29.3
165.07600	0.4
166.08644	0.9
194.08131	5.9
208.09700	100.0
209.10281	2.5
213.06490	0.4
219.16684	0.3
224.09320	0.3
236.09276	0.5
245.62080	0.3
250.10600	0.5
268.11795	0.7
314.13879	8.7
346.16476	0.5
388.17783	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	388.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36399	0.2
53.03950	0.4
70.53696	0.3
70.54028	0.5
77.03950	0.2
79.05519	0.2
91.05480	0.9
93.07058	1.0
103.05460	1.0
104.05004	0.4
107.04975	0.3
120.08121	0.7
121.06517	7.6
122.06060	0.5
132.04451	1.0
134.06023	0.3
135.04366	0.2
150.05548	1.4
164.07080	31.0
165.07524	0.4
166.08621	0.3
189.21297	0.2
194.08134	6.2
208.09708	100.0
209.10223	2.1
210.11272	0.6
222.07747	0.3
250.10611	0.3
252.95879	0.2
268.11749	0.8
314.13873	8.2
346.16528	0.4
388.17548	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
62.65921	0.1
69.03445	0.1
69.07082	0.1
69.67039	0.8
73.12456	0.1
77.79856	0.1
91.05499	1.1
93.07058	1.3
95.04987	0.3
103.05469	1.1
104.04985	0.4
105.04528	0.2
109.06551	0.2
109.10171	0.2
120.08108	1.1
121.06516	8.3
122.06024	0.6
132.04472	1.0
133.10165	0.4
134.06015	0.4
149.08440	0.2
150.05518	1.7
151.07541	0.3
164.07077	31.4
165.07635	0.2
165.09157	0.1
166.08658	0.3
167.03429	0.2
168.03772	0.2
175.14787	0.2
178.08702	0.2
180.10123	0.1
184.66039	0.1
194.08138	6.2
208.09705	100.0
209.10265	1.9
210.11249	0.5
213.06273	0.2
224.09085	0.2
236.09206	0.2
268.11868	0.8
314.13889	7.5
346.16409	0.3
352.81412	0.1
388.17633	1.9
389.15652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30095	0.9
56.96298	1.6
56.96571	30.2
60.04504	1.1
61.87508	0.9
67.05475	2.0
68.12440	0.9
69.07051	1.2
71.57050	1.0
71.95262	2.5
72.96049	1.4
74.64678	0.9
84.96067	1.1
91.05484	2.5
93.07037	4.4
95.08648	1.7
98.97603	2.5
103.05473	2.3
105.07011	1.9
107.08583	1.0
109.10114	1.2
110.97579	3.2
113.80255	1.1
116.98585	1.4
119.08553	1.1
120.08089	1.3
121.06506	10.9
122.06834	1.4
123.01215	1.3
128.98607	3.5
130.51335	1.1
137.02731	1.3
141.02216	1.7
143.00102	1.2
146.99586	1.3
150.05487	2.5
159.03319	1.0
164.07085	31.1
165.02312	0.9
169.01712	1.7
171.03229	2.4
179.03780	1.4
183.03278	1.5
184.00430	1.4
185.04926	2.7
189.04424	1.7
194.08116	5.4
197.04793	1.2
199.06413	2.1
203.05913	2.5
207.07018	1.4
208.09705	100.0
209.10306	3.0
211.06416	1.8
217.07373	1.8
223.06320	1.1
225.07973	4.7
233.08350	1.2
235.10178	1.8
237.08018	4.9
243.09071	2.9
251.09496	1.9
253.11128	6.9
255.09109	3.2
263.09814	1.2
271.12305	1.7
291.12555	1.8
296.86627	1.1
314.13852	9.8
329.14243	18.9
347.15317	92.8
365.16394	54.6
370.16873	6.5
370.24191	1.2
388.17825	15.7
388.30295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
57.78619	4.0
61.53424	4.3
63.74973	5.0
69.03431	5.1
69.07059	5.5
69.41022	4.2
83.05000	9.9
85.02912	10.5
89.29758	4.8
91.05488	15.5
93.07050	18.4
95.08611	13.0
103.05474	14.1
107.08615	18.2
109.06532	5.9
109.10139	8.8
121.06528	86.3
121.10148	22.3
122.06883	6.3
125.09621	5.2
128.23198	4.8
132.08057	7.6
133.10074	6.5
135.08078	9.9
147.11671	5.2
149.09674	7.9
149.13283	15.4
151.11163	49.2
158.06013	7.4
158.10817	4.4
160.07578	15.2
163.14885	7.8
164.07043	21.2
173.13287	10.5
176.07077	10.2
190.08641	17.0
191.14305	62.2
192.10188	73.8
195.50233	5.7
208.09685	68.4
209.15366	100.0
218.08176	8.7
224.12886	5.3
236.09177	74.3
387.66998	8.4
388.17502	83.2
408.73767	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	388.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12207	2.3
56.00006	2.4
56.62152	2.4
70.67381	7.0
81.07055	3.1
87.17937	2.6
89.10575	2.5
90.16332	2.8
90.57441	2.5
91.05499	7.6
103.05443	2.9
105.07040	4.5
105.55551	2.6
107.08585	12.7
109.06561	3.7
109.10123	3.8
114.50922	2.3
121.06502	19.7
121.10162	7.1
133.10144	100.0
135.08037	7.8
137.09630	73.0
149.13255	12.3
164.07095	24.4
173.13271	4.4
181.53105	2.7
190.08636	3.1
191.14339	59.1
191.16042	3.1
192.10234	8.3
208.09709	65.7
209.15358	17.9
236.09192	7.0
314.13916	7.4
356.14154	3.0
388.17691	14.1
407.41556	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	388.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	4.4
57.03182	1.8
57.03437	2.0
61.02927	2.7
69.03426	6.6
69.07092	3.2
70.06588	3.6
70.49944	2.6
70.50282	3.6
71.05003	35.9
72.08179	2.2
73.02950	1.7
79.05494	4.6
81.03446	1.9
81.07060	17.8
84.08175	2.1
85.02928	11.2
86.09743	2.4
89.03944	2.5
91.05483	4.5
93.07047	4.9
95.04965	5.9
97.02916	18.1
98.20723	2.2
98.97594	9.2
101.15582	1.7
103.05479	6.5
107.04987	4.3
107.08601	2.9
109.10149	3.8
110.97589	2.2
112.99171	2.1
116.98582	2.5
120.08120	100.0
121.06529	23.8
122.06873	2.7
123.04424	2.8
123.11736	5.2
127.03918	3.6
128.98645	2.2
131.05000	3.4
135.04482	2.5
136.06203	56.6
149.06038	3.4
151.03902	5.4
151.11159	4.9
157.12219	3.7
158.99684	4.2
163.03882	11.5
165.05499	12.2
166.08665	44.2
169.12282	7.1
177.00752	3.2
178.07248	4.3
183.06577	2.8
187.13298	31.6
203.03850	2.3
208.06018	3.1
212.08109	1.9
219.01874	3.6
222.22102	1.8
226.10750	4.4
228.04004	4.2
228.54144	2.7
231.01985	1.8
238.09689	3.0
266.08850	16.4
277.11386	3.1
300.07690	15.6
320.10287	3.5
320.71548	1.8
338.09204	2.9
339.07712	3.9
340.95602	1.8
356.10281	6.9
370.11917	2.4
370.16412	2.1
388.12271	2.7
388.16422	6.8
389.17896	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	389.121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	1.2
61.58134	1.2
67.12583	1.2
69.03422	4.9
69.87257	2.1
69.87663	4.6
73.02937	1.9
81.03423	1.9
82.99843	1.7
84.08144	2.3
84.99578	1.4
85.02919	9.4
93.12093	1.2
97.02900	5.8
98.20805	1.7
98.97592	5.4
101.00877	6.0
103.00626	12.3
119.01950	5.5
120.02006	1.9
121.01673	11.9
127.03938	1.7
129.02083	1.3
135.03271	1.5
137.05962	4.5
139.02402	2.4
141.02126	3.3
143.01910	2.8
145.01662	4.9
145.05020	2.2
146.03633	1.3
147.03197	3.2
157.03499	3.6
159.03197	10.8
161.01198	1.5
161.02960	2.0
163.02707	2.8
165.04314	2.1
167.07047	4.8
175.04529	2.9
177.04337	3.9
192.04536	1.5
194.07198	1.3
201.05287	1.6
205.05690	3.2
207.05247	6.5
215.11455	1.5
219.01712	1.6
223.06631	5.8
224.06821	3.2
225.06369	22.0
239.04242	1.5
243.07401	3.2
265.07748	2.0
267.07465	6.6
281.09082	7.5
299.08810	2.7
312.51944	1.7
344.60065	1.6
371.11783	3.8
389.12885	100.0
390.12506	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02375	0.5
53.03944	2.5
55.01862	0.5
65.03934	0.2
67.05508	0.4
69.07053	0.2
71.58086	0.3
73.23890	0.1
77.03918	0.6
79.05495	0.4
81.03422	0.3
81.07058	0.7
91.05483	8.2
93.03387	0.2
93.07046	10.7
93.76159	0.1
95.04978	2.4
95.08616	0.6
97.02859	0.2
103.05473	8.3
105.04506	1.1
105.07030	0.4
107.04965	0.2
107.08610	0.3
109.10159	0.4
117.07011	0.2
119.04958	0.3
119.08603	0.5
121.06507	100.0
122.06831	0.7
127.40636	0.2
131.04919	0.3
131.08548	0.2
133.10149	0.4
137.06003	0.7
139.03918	0.6
145.02869	0.2
145.10139	0.5
147.04399	0.3
147.11729	0.4
149.02388	0.6
149.32899	0.1
151.03897	0.3
151.07480	0.2
157.10033	0.2
159.11685	0.4
163.03984	0.4
165.05521	0.3
167.03397	4.9
167.07097	0.4
169.10126	0.2
171.11766	0.2
173.13239	0.3
175.03941	0.2
175.07474	0.2
177.05553	0.3
181.04985	0.3
187.14871	0.3
189.16428	0.2
191.03430	0.6
201.16446	0.2
207.06563	0.3
208.09755	0.2
209.04465	2.2
209.08141	0.2
209.10034	0.2
210.07704	0.2
211.07892	0.3
213.16328	0.2
217.08620	0.2
227.05495	0.3
251.17867	0.2
277.08551	0.2
287.09158	0.4
329.10242	1.2
371.14844	0.2
377.39786	0.2
380.15118	0.3
389.15582	0.4
389.32043	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	389.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00127	0.2
51.02391	1.0
51.99720	0.2
53.03740	0.3
53.03953	3.4
55.01873	0.5
63.60397	0.2
64.22357	0.2
65.03926	0.7
69.76405	1.0
69.76806	0.5
77.03928	0.7
78.04730	0.2
79.05493	0.2
81.03433	0.4
81.07053	0.3
81.15718	0.2
87.91634	0.3
91.05488	8.2
93.07053	11.1
95.04980	3.4
95.08604	0.4
98.20831	0.3
103.05476	10.3
105.04523	1.6
105.07000	0.3
119.05010	0.3
119.08566	0.2
121.06516	100.0
122.06837	1.1
137.05992	0.5
144.08109	0.2
151.03920	0.2
164.07098	0.3
165.05539	0.3
167.03419	1.0
181.05009	0.4
204.04427	0.2
207.06570	0.3
208.09663	0.4
209.04572	0.4
209.09940	0.6
236.38251	0.2
264.52356	0.2
286.10135	0.3
300.09988	0.3
371.15176	0.3
389.32114	0.4
399.89651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03954	2.3
55.01889	1.3
61.32076	0.2
65.03939	0.9
67.27818	0.2
69.51108	1.7
73.84914	0.2
77.03926	0.5
79.05483	0.3
81.03428	0.6
91.05493	6.5
93.03416	0.5
93.07053	10.5
95.04977	2.4
98.21479	0.5
103.05480	8.3
104.82212	0.2
105.04527	0.9
121.06514	100.0
122.06842	0.8
129.07004	0.5
131.04944	1.0
135.04385	0.3
137.05936	1.7
139.03836	0.2
147.08110	0.3
149.02347	0.9
149.06052	0.5
151.03908	0.6
151.07535	0.5
153.05493	0.3
163.07526	0.4
164.16595	0.3
165.05492	1.4
167.03392	4.2
167.07062	1.2
175.07574	0.5
177.05525	1.3
181.04968	3.6
189.09151	0.5
191.03485	0.4
208.09758	0.5
209.04474	2.4
209.08089	2.3
209.09923	0.5
217.08656	0.7
223.07640	0.3
231.08859	0.2
246.83319	0.3
249.09297	0.3
266.93469	0.2
269.07947	0.3
287.09094	0.3
311.09207	0.4
329.10269	1.7
341.14059	0.4
353.13846	0.4
359.14676	0.4
371.15012	0.8
388.40222	0.2
389.16229	2.2
393.76151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1234
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
53.03941	2.9
53.85097	0.8
55.01863	2.6
62.03934	0.8
65.03957	0.8
70.15872	0.6
71.49517	1.3
77.03906	0.7
79.05491	1.4
79.99590	0.6
81.03439	0.8
81.87534	0.7
91.05476	6.4
93.07047	10.3
95.04955	3.7
96.36082	0.7
103.05466	9.3
105.04507	1.6
107.04936	1.9
115.05460	0.8
121.06509	100.0
122.03642	1.3
122.06831	1.0
123.04455	0.8
129.07001	2.7
131.04945	1.9
131.08569	1.1
137.04996	1.4
137.05981	16.7
145.06473	0.8
149.02359	1.1
151.03908	2.2
151.07527	2.8
156.05701	1.0
157.06516	1.4
159.08096	2.0
160.05225	0.9
163.03900	0.9
165.05482	11.1
165.06734	1.2
167.03372	3.7
167.07050	5.6
173.05957	1.3
174.06750	1.3
175.07629	2.1
177.05513	2.1
179.07085	1.1
181.05002	6.7
187.07567	1.7
189.09113	3.4
196.08076	0.8
202.06279	0.9
203.07024	1.3
205.08681	2.4
209.04362	1.3
209.08087	2.9
217.08589	8.6
218.07272	0.9
219.10229	2.1
226.06110	0.9
230.84032	0.8
235.09647	1.3
239.06975	4.0
239.65941	0.8
241.08778	1.0
242.05798	1.2
247.07399	0.8
247.09694	2.0
249.09186	1.3
252.08124	1.5
256.07416	0.9
257.08160	1.9
261.09195	3.0
263.07132	1.2
269.07965	0.9
271.06082	1.4
277.08704	2.2
278.09406	2.1
285.07632	10.1
289.08432	1.3
291.10095	1.0
293.11835	1.7
300.09943	14.9
301.10727	1.3
306.08875	0.8
309.11313	1.3
313.10681	1.2
321.11145	4.5
329.10226	1.4
339.12405	1.5
341.13907	2.2
353.13760	5.8
371.14920	7.3
389.16174	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1443
Annotation	Dehydrologanin
Peak:m/z	Relative Intensity
53.03931	4.2
55.01876	4.3
67.05531	2.3
69.03426	2.0
69.77317	8.0
76.72742	1.9
77.21574	1.9
79.05500	25.2
81.07049	5.3
85.02924	5.0
86.09673	2.6
91.05473	13.4
93.07044	15.1
95.04980	6.7
95.08612	4.2
97.06536	31.0
98.21313	6.4
99.04479	3.8
103.05463	18.5
105.07037	10.1
107.04959	48.5
107.08578	7.1
109.06522	5.0
109.10168	3.3
117.07047	2.8
119.04920	2.6
119.08572	4.5
121.06506	49.9
121.10147	8.3
122.03640	2.2
125.06018	3.6
131.04924	9.9
131.08604	2.2
133.06503	2.7
133.10097	2.0
135.04434	12.1
137.05978	30.6
139.03868	2.7
149.05984	100.0
149.13269	4.2
151.03940	4.9
151.07599	2.4
153.05486	35.8
159.04372	2.2
159.08078	3.5
161.05876	2.8
163.07570	5.5
167.05646	3.1
167.07054	57.9
169.12204	4.0
173.06033	3.3
175.07578	4.3
177.05475	56.0
178.05791	2.4
181.04976	7.2
181.08681	2.0
187.07469	3.6
189.09134	3.0
190.06390	2.1
191.07013	4.8
191.14340	2.5
195.06546	28.8
205.08650	3.6
209.08105	18.0
209.15450	6.1
217.08633	11.0
227.06918	4.7
227.09163	75.2
227.16428	8.7
235.09740	2.5
247.09686	7.7
252.53659	2.2
285.07632	5.0
300.09903	6.2
321.11111	2.8
341.13922	3.2
353.13922	3.9
371.15280	4.5
389.17264	4.7
389.21875	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
54.67102	0.7
55.05503	1.1
56.04817	0.9
61.02920	1.2
67.05506	3.6
69.03428	7.1
70.13290	2.3
71.04987	2.3
72.08140	1.0
79.05488	2.4
81.03400	1.8
83.04974	3.4
84.08148	1.0
85.02891	2.9
86.09716	1.4
91.05474	1.5
95.04362	1.5
95.04977	28.0
97.06572	0.9
98.21331	1.8
99.04462	1.8
105.03378	0.8
107.08572	1.4
109.06503	1.4
111.04434	2.1
119.04946	1.4
121.06557	1.0
123.04437	10.9
129.05490	3.0
130.05847	0.8
131.08594	1.1
137.05948	2.2
147.04424	1.8
147.06506	0.8
149.09625	1.6
150.05595	1.0
151.03914	31.9
152.04234	0.7
163.38834	0.8
164.07060	7.3
165.05489	72.0
165.07431	8.1
167.10725	4.0
175.04024	1.0
183.06544	28.7
193.04979	7.3
203.05292	2.2
207.06615	1.3
209.11641	4.4
227.12608	3.0
269.10278	0.8
279.08865	0.9
362.00122	0.9
389.17786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
54.67102	0.7
55.05503	1.1
56.04817	0.9
61.02920	1.2
67.05506	3.6
69.03428	7.1
70.13290	2.3
71.04987	2.3
72.08140	1.0
79.05488	2.4
81.03400	1.8
83.04974	3.4
84.08148	1.0
85.02891	2.9
86.09716	1.4
91.05474	1.5
95.04362	1.5
95.04977	28.0
97.06572	0.9
98.21331	1.8
99.04462	1.8
105.03378	0.8
107.08572	1.4
109.06503	1.4
111.04434	2.1
119.04946	1.4
121.06557	1.0
123.04437	10.9
129.05490	3.0
130.05847	0.8
131.08594	1.1
137.05948	2.2
147.04424	1.8
147.06506	0.8
149.09625	1.6
150.05595	1.0
151.03914	31.9
152.04234	0.7
163.38834	0.8
164.07060	7.3
165.05489	72.0
165.07431	8.1
167.10725	4.0
175.04024	1.0
183.06544	28.7
193.04979	7.3
203.05292	2.2
207.06615	1.3
209.11641	4.4
227.12608	3.0
269.10278	0.8
279.08865	0.9
362.00122	0.9
389.17786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.05511	1.1
58.73845	0.9
60.53436	0.8
60.74468	1.0
67.05516	5.9
69.03435	7.9
71.04963	1.5
71.55804	0.8
72.95164	0.9
79.05497	2.6
81.03426	1.8
81.07069	1.4
83.04970	4.7
85.02898	3.1
87.78853	0.8
91.05490	2.8
93.07047	1.1
95.04980	35.6
97.02870	1.0
99.04472	1.2
105.03397	0.9
109.06554	2.4
111.04454	3.5
119.04967	1.5
121.06563	1.1
123.04446	15.2
127.03908	1.1
129.05473	4.8
133.02876	1.7
137.05995	2.9
141.36671	0.8
147.04440	1.3
147.06575	1.2
149.09686	1.6
151.02892	0.6
151.03918	42.5
164.07080	9.5
165.05492	86.5
165.07449	8.3
166.05901	2.0
167.10678	5.4
173.86276	0.8
175.03848	0.9
183.06544	28.1
189.07587	1.0
193.04999	8.4
200.50879	0.8
203.05313	2.8
207.06667	1.0
209.11673	5.2
225.07571	1.0
227.12686	3.6
303.64883	0.9
371.13516	1.0
389.17807	100.0
390.18262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	Renealtin B
Peak:m/z	Relative Intensity
51.72050	1.0
53.03949	2.8
55.01877	2.7
65.03947	3.6
66.04739	1.9
69.03405	1.0
71.58203	1.4
77.03928	1.2
79.05499	6.6
81.03426	13.4
81.07071	1.9
85.02925	1.2
91.05508	3.0
94.04208	3.9
95.04970	3.1
96.39745	1.0
103.05500	2.5
107.04961	3.6
108.02091	1.7
109.06539	5.8
115.05469	3.8
121.02847	1.2
121.06484	2.6
122.03661	6.5
125.06025	1.5
128.06226	2.7
129.05244	0.9
129.07011	8.6
131.04973	3.9
133.02765	1.0
135.04404	2.1
136.05214	5.1
137.05989	49.8
139.07541	2.9
141.05495	1.2
143.04907	2.8
145.06544	3.4
147.08078	1.2
149.05981	1.8
151.03929	57.2
151.05032	5.6
151.07552	35.0
151.15338	1.1
153.05501	2.7
155.07088	4.7
157.06532	9.5
158.07277	2.0
159.04495	1.1
160.05225	1.5
161.05975	1.7
161.09662	4.4
163.07535	1.5
165.05490	100.0
167.07086	4.6
171.04414	5.1
172.08852	3.7
173.05998	2.1
174.06761	3.5
175.07527	6.7
177.05515	1.4
177.09171	1.2
179.07043	3.5
181.05045	4.8
184.27032	1.1
187.07520	1.9
188.04709	1.5
188.08415	2.7
189.09116	17.1
190.06317	1.8
191.07098	4.9
191.10722	1.3
201.09128	1.9
203.07059	15.5
203.10677	8.4
205.08655	13.1
209.08099	2.8
217.06534	2.1
217.08627	33.8
219.10210	5.0
221.08133	4.1
228.10262	1.4
229.08635	3.0
233.08073	3.0
235.09653	5.8
247.09737	5.7
248.08214	1.0
257.08151	2.2
261.09006	2.0
277.08594	2.6
277.33334	1.1
278.09409	2.5
285.07788	1.7
289.08719	1.7
291.10117	1.9
293.11853	2.1
294.12244	0.9
295.09351	1.2
299.09265	1.5
300.09995	5.7
307.09860	2.3
309.11273	2.4
309.52615	1.1
310.12057	2.7
320.10333	1.4
321.11261	4.6
322.12039	3.1
323.12750	2.2
325.14468	1.8
326.11612	3.2
335.12894	5.4
340.13245	1.1
341.13840	12.5
353.13858	13.5
359.15100	1.9
371.14905	17.7
389.15903	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	389.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.0
61.89807	0.4
65.28320	0.5
71.57057	0.6
82.31889	0.4
85.02894	0.6
90.08026	0.4
93.07055	0.6
95.04993	0.5
97.26351	0.5
98.97597	3.4
107.08568	0.7
116.98610	0.6
121.06487	2.1
153.12773	1.0
158.99713	0.9
165.05466	0.6
167.10736	0.5
187.09363	0.5
195.57947	0.6
198.47223	0.4
209.11633	1.2
219.01689	0.5
227.09589	1.0
227.12561	2.4
245.10695	0.6
251.43193	0.4
269.10596	3.0
270.11279	0.5
287.11673	0.8
289.08954	7.7
353.15982	0.7
371.16913	2.6
389.18005	100.0
390.18549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	Simulanol
Peak:m/z	Relative Intensity
53.03949	2.4
55.01873	32.5
65.03928	10.4
67.05497	5.7
69.03433	3.8
69.28694	21.9
79.05495	7.6
82.04201	4.4
85.02907	9.7
91.05489	7.6
93.03410	2.3
95.04984	6.2
96.36683	2.3
97.02931	2.5
97.06555	2.2
98.97572	3.1
103.05476	15.8
105.07010	2.8
107.04956	15.2
109.06494	4.3
110.03635	4.7
111.04395	3.4
115.05429	3.5
117.03470	2.4
117.07043	3.8
119.04967	3.0
121.06504	4.5
122.03647	3.7
123.04414	6.6
124.05238	3.0
125.05952	3.2
128.06277	2.7
129.07013	14.7
131.04916	23.6
131.08601	6.0
137.05984	91.2
138.06285	3.7
140.04683	3.2
142.02711	3.3
145.06499	4.4
149.05977	10.7
151.03941	26.5
151.07559	9.0
153.05472	7.2
156.05711	7.8
157.06424	11.3
159.04468	2.9
159.08090	7.1
160.05180	5.8
161.05998	3.2
163.07533	9.9
165.05492	5.7
167.07056	39.4
169.07726	2.5
171.06557	3.3
173.05927	4.5
174.06712	7.1
175.07558	21.3
177.05466	38.2
177.09122	2.1
179.07037	3.8
181.04964	100.0
183.39568	2.4
187.07552	11.8
188.08327	5.7
189.07472	3.7
189.09074	20.2
191.07037	4.0
201.09090	5.6
203.06987	4.5
203.08810	2.3
203.10715	3.3
205.08618	6.8
209.08095	68.7
211.07588	5.6
215.08592	2.8
217.08591	28.1
218.07191	5.6
219.10181	14.1
221.07942	3.3
226.06372	3.2
231.08185	2.6
233.09605	5.2
234.06798	5.1
235.07539	5.0
235.09656	5.2
239.07086	18.2
240.07767	2.7
241.08618	7.8
242.05795	3.0
247.09683	14.6
249.09193	9.4
252.07954	5.5
257.08252	3.8
261.09146	13.1
262.09921	3.7
263.07104	5.3
266.09305	3.0
269.08109	5.7
270.08987	2.5
271.06055	3.1
277.08557	13.3
278.09375	6.3
285.07565	51.8
289.08557	4.8
291.10184	3.0
293.11630	14.0
294.09012	3.0
295.09549	3.8
299.08966	2.7
300.09949	73.1
301.10510	7.0
306.09122	3.5
307.09583	2.9
309.11240	10.2
311.12857	3.1
313.10709	9.5
321.11392	20.8
339.12402	15.1
341.13821	9.8
347.55563	2.4
353.13840	23.8
359.14639	3.8
368.11166	2.9
371.14893	40.6
389.15952	70.9
390.15573	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	389.1597
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
50.18319	0.9
53.03944	2.4
54.68787	1.0
55.01872	7.2
56.96564	1.5
65.03931	3.0
67.05521	1.1
69.41717	7.5
78.04739	1.3
79.05502	6.0
81.07022	1.3
82.04192	1.1
85.02888	1.4
89.03924	1.2
91.05486	4.4
93.07052	3.2
95.04962	2.9
97.06549	1.4
103.05468	7.4
105.07056	1.2
106.04150	1.3
107.04952	9.4
107.08594	1.2
115.05444	2.2
117.03364	2.2
117.07021	3.4
118.77791	0.9
119.04909	1.7
119.08609	1.3
121.06520	12.8
122.03651	2.7
123.04410	6.0
124.05201	3.1
125.05942	1.0
128.06197	2.4
128.13100	0.9
129.06995	6.0
129.79193	1.1
131.04945	9.5
133.06523	1.4
137.05978	24.5
137.98314	1.0
139.06477	0.9
140.04704	1.1
143.04951	2.6
144.05788	1.1
145.02824	2.1
145.06482	5.4
147.04395	2.8
149.05978	3.4
151.03824	2.2
151.07584	1.3
152.04732	2.3
153.05470	2.9
155.04924	3.1
157.06490	7.9
160.05194	3.0
161.05975	3.3
163.07552	7.1
165.05455	5.5
167.07048	70.9
171.06581	1.0
171.11690	1.0
172.05228	1.3
173.06061	1.6
174.06784	3.3
175.07565	13.2
177.05472	11.5
177.09174	3.9
178.07727	1.1
179.07007	3.3
181.04958	26.7
183.06586	1.7
187.07561	14.0
187.14828	1.9
189.09120	10.5
190.07788	1.3
191.07030	1.3
203.08600	1.6
205.08551	2.3
206.07272	2.3
207.08113	1.3
209.08118	6.5
217.06776	1.1
217.08592	6.2
218.07397	1.4
219.08051	2.4
219.10205	1.4
220.08846	1.1
221.09653	2.7
223.07594	2.2
231.08052	1.7
233.09711	1.2
234.06732	5.0
235.07504	3.0
235.09677	4.7
238.09911	1.4
248.08328	3.5
249.09138	9.5
251.07036	3.8
261.09097	4.1
262.06207	1.4
262.09875	1.1
263.06949	2.0
263.10797	1.7
265.08633	1.5
266.09427	5.6
277.08643	7.0
278.09406	2.6
279.06647	1.6
281.11777	4.8
284.78397	1.0
291.10098	1.5
293.11685	2.6
294.08911	2.8
295.09637	2.1
300.10068	1.5
307.09705	1.9
309.11298	7.2
310.11789	1.3
311.09195	2.0
313.10770	2.1
314.11395	1.0
321.11270	5.9
326.11511	3.0
327.55304	1.2
339.12192	2.7
341.13858	19.4
353.13828	4.7
359.14908	100.0
360.15219	1.2
371.14896	15.7
389.15976	28.6
389.31982	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	389.1597
Annotation	Flustramine D
Peak:m/z	Relative Intensity
51.02379	0.7
53.03929	2.0
55.01863	2.6
59.02119	0.6
65.03928	1.7
69.44115	5.4
74.94173	0.6
77.03521	0.6
77.03924	1.1
79.05477	1.7
79.82205	0.6
81.03409	0.9
85.02937	0.6
85.65961	0.6
91.05489	7.8
93.07048	10.4
94.04211	1.1
95.04435	0.8
95.04954	4.1
103.05477	9.1
105.04517	1.2
105.69380	0.8
107.04965	2.9
109.06565	0.9
121.06514	100.0
122.03645	1.9
122.06819	1.5
123.04422	0.8
128.06221	1.1
129.06999	2.8
131.04912	1.6
131.08530	0.7
137.05994	15.9
143.04892	0.7
145.06494	1.8
147.04349	0.6
149.05957	1.4
151.03940	1.5
151.07535	3.7
155.07069	1.1
156.05779	0.7
157.06514	2.9
159.08022	0.9
161.06010	1.3
163.07523	0.9
165.05486	13.3
167.03436	3.0
167.07047	4.7
173.05998	1.0
174.06784	0.7
175.07574	2.5
177.05472	2.3
181.04993	6.5
183.06566	1.1
187.07597	0.9
189.07527	0.7
189.09103	3.8
191.07080	1.3
201.09222	0.8
202.06319	0.9
203.07037	1.0
205.08649	2.8
209.04532	0.9
209.08061	3.1
211.07553	1.1
217.08607	9.9
218.07288	0.8
219.08202	0.9
219.10100	3.1
221.08092	0.8
233.09804	1.1
234.06857	0.8
235.07651	1.2
235.09763	1.4
239.07047	2.4
241.08749	1.5
247.09668	2.3
249.09082	1.2
252.07820	1.6
261.09125	1.9
263.07104	0.9
269.08173	0.9
277.08676	3.0
279.10156	0.8
285.07593	9.5
287.09351	0.9
289.08704	1.0
291.06561	0.7
293.11865	1.5
294.08899	0.9
300.09964	11.6
301.10693	1.3
306.08963	0.9
307.09549	0.8
309.11362	1.2
313.10648	1.2
321.11172	3.2
326.11539	1.1
332.56772	0.8
339.12378	1.6
341.13968	2.2
352.43088	0.7
353.13919	4.7
371.14944	7.8
389.16217	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	389.1594
Annotation	Renealtin B
Peak:m/z	Relative Intensity
50.05894	0.7
51.85388	0.7
53.03948	2.4
54.26135	0.7
55.01869	2.5
57.01749	0.7
57.14691	0.8
61.85982	0.8
65.03940	2.7
66.04719	1.0
67.05503	2.1
69.03435	1.1
70.74302	1.9
70.74645	1.1
77.03970	0.8
79.05499	6.0
81.03426	12.0
81.07037	2.1
91.05486	2.8
93.03416	0.9
94.04188	4.4
95.04961	3.0
103.05506	2.7
105.04528	0.8
107.04945	3.0
108.02088	1.6
109.02905	1.0
109.06523	3.3
111.04483	1.7
115.05469	2.9
117.07029	1.0
119.04852	0.9
121.06527	2.5
122.03651	6.5
124.05274	1.0
125.05984	1.4
128.06250	2.4
129.07010	8.5
131.04953	4.1
135.04431	1.7
136.05209	4.8
137.05981	44.7
138.06590	1.0
139.07527	3.9
141.05429	1.0
143.04924	2.9
145.06517	3.0
146.07269	1.5
147.08072	1.5
149.05991	1.7
151.03920	51.9
151.05034	5.1
151.07542	33.8
153.05463	2.5
155.07074	4.1
157.06490	10.0
157.44283	0.8
158.07280	2.0
159.08090	1.4
160.05199	2.3
161.05995	3.4
161.09624	4.0
163.07555	1.3
165.05479	100.0
166.05881	1.3
167.06992	4.1
171.04427	4.8
172.08859	3.4
173.05994	4.5
174.06796	5.1
175.07545	6.3
176.04721	1.1
177.05424	2.2
177.09131	1.9
179.07069	3.5
181.04951	3.9
181.08626	1.1
187.07582	1.3
188.04633	1.4
188.08342	2.9
189.09117	16.9
190.06252	2.2
191.07037	5.2
191.10725	1.6
201.09145	1.3
203.07051	17.7
203.10710	8.5
205.08604	13.2
208.09669	1.3
209.08113	2.3
217.06538	1.9
217.08609	32.7
217.10666	1.9
219.08322	1.1
219.10193	4.8
221.08226	4.1
229.08669	1.4
233.06110	0.8
233.08144	3.3
235.09647	4.6
247.09703	6.8
248.08273	1.1
249.09061	1.8
257.08090	1.3
261.09186	1.7
265.08780	0.9
275.10803	1.0
277.08643	2.8
279.10162	1.3
285.07562	1.7
289.08557	1.3
291.10245	1.8
292.10913	0.9
293.11856	2.9
298.11893	1.4
299.09158	2.1
300.09897	5.3
307.09692	2.4
309.11151	1.8
310.12112	2.3
311.12732	1.2
320.10501	1.1
321.11279	4.3
322.12085	3.5
323.12827	2.4
325.14456	2.8
326.11572	2.1
333.68448	1.1
335.12747	5.4
340.12833	1.1
341.13882	17.0
353.13828	10.6
359.14880	1.6
371.14905	19.1
389.16013	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	389.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01877	4.4
65.03935	2.0
65.84550	1.9
66.87384	1.7
71.49706	1.5
71.58065	2.3
79.05503	6.1
81.03430	29.6
81.07055	2.2
88.62042	2.1
91.05494	2.4
94.04243	2.0
95.04948	3.4
103.05481	8.0
104.02795	1.6
105.99174	1.6
107.04955	7.3
109.06520	5.6
115.05475	6.2
121.06496	2.9
122.03647	5.6
124.56319	1.9
128.06235	5.0
129.07071	9.6
131.04964	9.8
131.08571	2.6
135.04373	1.8
136.05214	3.9
137.05991	61.4
139.07539	2.8
143.04930	3.2
143.08548	2.2
145.06500	2.7
147.04501	2.4
151.03909	10.7
151.07542	28.4
155.07036	2.5
156.05763	3.0
157.06526	11.5
158.07275	2.3
159.04430	2.3
159.08081	4.1
161.06024	2.3
161.08289	2.0
163.07552	2.6
165.05486	100.0
167.07051	15.0
171.04410	3.2
173.05948	3.3
174.06758	5.8
175.07495	10.3
177.05518	4.4
179.07037	3.7
181.05016	7.5
186.06714	2.8
187.07549	5.6
189.05577	2.3
189.09143	13.0
190.06305	2.9
191.07092	2.6
201.09116	2.1
203.07053	8.6
203.10681	2.5
205.08633	11.1
210.43924	1.9
211.07689	3.5
217.08618	34.6
219.08197	3.3
219.10179	10.7
224.04617	2.4
226.06235	2.1
233.09798	3.2
235.07532	2.2
235.09683	3.4
239.07030	9.4
241.08565	3.2
242.05757	2.9
246.06848	1.9
247.09775	10.7
248.08371	2.5
249.09145	4.6
252.07890	3.6
257.08032	6.2
261.09109	7.3
263.07248	3.5
269.08109	1.9
276.07880	2.1
277.08609	7.4
278.09476	5.0
279.10144	2.0
280.07455	2.0
283.09637	2.0
285.07611	32.1
289.08463	2.2
290.09579	2.1
291.10162	2.9
293.11642	5.4
295.09659	3.0
299.09045	2.9
300.09955	50.9
301.10608	5.1
306.08899	2.0
309.11276	7.0
311.12878	2.4
313.10608	5.1
321.11227	10.2
322.11737	2.8
323.09283	3.1
335.12900	2.4
341.13922	8.8
353.13849	22.5
359.14987	2.3
371.14948	29.3
388.35809	2.1
389.15320	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	389.1597
Annotation	Renealtin A
Peak:m/z	Relative Intensity
53.03949	1.5
55.01874	2.5
65.03927	3.0
67.05494	2.5
69.03431	1.2
71.56680	0.9
74.01419	0.7
79.05478	1.0
81.03433	8.9
81.07114	0.7
84.28503	0.7
85.02925	1.0
91.05463	2.9
93.03403	1.2
93.07031	0.9
94.04182	1.1
95.04980	1.6
103.05441	1.2
105.07037	1.1
107.04963	3.2
108.02115	2.2
108.05714	0.9
109.06490	1.1
111.04436	1.4
114.89129	0.8
115.05450	2.3
121.06494	3.9
122.03659	2.1
122.06853	1.6
123.04349	0.8
125.06017	1.7
128.06264	1.1
129.06981	2.8
131.04924	1.8
133.10143	1.5
133.28635	0.7
135.04439	1.1
136.05241	4.3
137.05994	22.2
139.07605	1.0
141.05434	1.7
143.04936	2.4
143.08601	1.3
145.06468	2.1
146.07182	1.3
147.08070	1.1
151.03928	100.0
151.05031	10.0
151.07544	28.6
152.04248	1.1
153.05486	2.4
157.06526	3.3
158.07246	1.2
159.04343	0.8
159.07980	1.6
160.05199	1.5
161.05948	1.6
161.09621	6.2
163.07547	0.9
164.07065	2.8
165.05495	10.6
172.08844	6.8
173.06050	2.3
174.06781	2.9
175.07512	4.0
176.04765	0.9
181.05011	2.0
186.06825	1.0
187.07611	1.4
188.08383	3.1
189.09125	6.5
190.06238	1.0
191.07030	5.4
192.10291	2.0
193.10545	0.9
201.09218	1.2
203.05414	0.6
203.07040	17.9
203.08765	1.8
203.10675	14.3
205.08636	7.7
208.09686	4.3
209.08199	1.4
209.10023	5.7
215.07043	0.9
217.08644	9.1
219.10211	2.5
221.08096	5.2
229.08626	1.0
233.08003	4.6
235.07484	1.0
235.09595	1.3
236.08995	0.9
247.09872	1.6
248.08559	0.8
249.09093	1.0
255.73674	0.8
257.08038	0.9
261.09201	1.5
263.06961	1.0
277.08612	2.2
300.09961	2.4
307.09546	1.4
310.12015	2.7
311.12857	1.4
321.11301	2.9
322.11948	2.6
323.12756	1.9
325.14398	1.9
326.11533	1.4
335.12851	3.9
341.13892	11.8
353.13824	7.4
359.14725	1.9
371.14944	9.2
389.11905	1.0
389.17490	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	389.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10928	8.1
70.11323	6.2
72.57501	3.6
79.05495	5.6
91.05492	10.0
101.01051	3.8
103.05455	4.4
107.04940	8.1
109.06543	3.7
117.07048	4.4
119.04930	5.2
122.03660	9.0
129.06897	4.8
131.04941	6.1
131.08565	3.7
137.05980	93.8
138.05307	3.7
138.06299	18.3
139.06516	6.8
144.05695	3.8
145.06537	5.8
151.03874	6.9
151.07541	4.9
156.05701	6.0
157.06450	4.2
159.08064	9.5
165.05501	29.6
167.07050	29.4
173.06018	5.9
175.07553	15.5
177.05508	5.7
181.04958	5.0
187.07561	12.0
189.09018	5.6
202.06282	3.6
205.08636	9.8
215.68755	4.2
217.06750	4.2
217.08556	22.6
218.07280	6.1
233.09702	5.2
239.06955	21.2
241.08673	12.5
242.05780	5.8
247.07506	5.2
247.09584	17.5
249.09225	6.4
252.07869	9.7
255.06599	4.3
257.08246	7.4
261.09198	12.3
263.07269	6.8
269.07990	4.9
271.05963	6.1
277.08606	8.5
278.09521	5.8
280.07349	4.5
285.07544	75.5
289.08658	6.5
293.11862	10.9
298.08588	5.1
300.09906	100.0
301.10562	8.4
307.09756	5.5
309.11243	9.1
310.59674	4.1
313.10773	8.7
321.11258	21.8
323.09058	6.3
339.12305	9.6
341.13858	7.7
353.13870	39.9
371.14832	26.6
385.74445	3.8
389.15149	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.0
53.03954	2.6
55.01875	33.9
55.05517	2.1
56.96561	1.9
59.19992	1.8
65.03947	10.9
67.05494	7.9
69.03432	2.6
69.07063	4.6
70.06586	2.1
71.19738	2.7
71.20086	3.8
75.04470	2.2
77.03894	2.0
79.05492	7.2
81.03415	7.4
81.07075	9.8
82.04198	4.7
83.04977	2.9
85.02907	8.3
90.16132	1.8
91.05485	17.7
93.03422	3.2
93.07053	10.1
94.04220	2.9
95.04978	9.9
95.08617	7.9
97.02915	2.3
97.06551	4.9
98.97577	8.3
103.05473	22.9
105.04493	2.6
105.07045	7.4
107.04953	12.2
107.08614	5.6
108.02094	2.5
109.06530	6.1
110.03648	3.8
111.04445	6.2
112.92247	1.8
115.05489	2.8
116.98599	2.0
117.03416	2.2
117.06982	2.4
118.25830	1.9
119.05013	3.1
119.08575	6.6
121.02899	2.3
121.06518	36.3
121.10153	3.2
122.03639	6.8
123.04420	7.9
124.05202	3.6
125.06008	3.1
128.06233	3.4
129.06999	15.8
131.04955	26.0
131.08525	3.7
133.10147	3.5
135.04430	7.0
137.05984	74.6
138.06354	5.0
139.06523	2.4
142.02635	4.0
143.04961	3.3
143.08473	2.3
145.02850	7.9
145.06483	6.5
145.10240	2.7
147.04436	3.6
147.11719	2.6
149.02350	4.6
149.06015	17.4
151.03908	16.5
151.04994	2.3
151.07600	8.9
152.04646	2.3
153.05501	7.6
155.07072	3.4
156.05728	2.1
157.06505	11.0
158.99680	3.9
159.08148	3.1
160.05299	3.3
161.05960	6.0
161.13243	6.4
163.03925	8.2
163.07562	10.2
165.05487	32.0
167.03404	4.3
167.07048	36.4
171.06529	3.0
174.06754	6.1
175.07558	20.1
177.00652	2.2
177.05469	40.6
177.06863	3.0
177.09041	2.6
179.07132	2.3
179.14340	6.1
181.04967	100.0
183.06567	2.7
185.05827	2.3
187.07599	7.0
187.14874	4.7
189.09132	13.9
191.03403	3.3
191.07013	3.4
193.10130	2.3
199.07617	3.7
203.06915	4.5
205.06708	2.2
205.08607	7.2
206.07295	2.9
208.09666	6.3
209.08133	56.6
209.10036	9.9
210.07649	6.2
211.07870	10.4
217.08572	18.8
219.08162	3.9
219.10236	5.6
223.05989	3.1
234.06784	2.9
235.09622	4.6
235.16756	2.1
237.05418	2.1
239.07152	5.0
241.05269	2.4
241.08635	2.2
247.07597	2.7
247.09842	3.1
249.09155	7.1
250.09933	2.8
253.09021	3.8
261.09094	5.7
263.07132	2.1
277.08701	9.1
279.10406	2.5
285.07504	9.2
289.08682	2.5
291.10214	2.4
293.11658	4.1
300.09970	15.6
309.11255	6.1
315.08740	2.0
321.11319	7.4
323.12881	2.5
325.07153	2.1
339.12265	11.1
341.13870	9.0
347.13120	3.1
353.13794	9.6
357.09937	3.4
359.14825	4.6
371.14908	23.4
389.15985	58.0
389.31955	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	389.1596
Annotation	Renealtin B
Peak:m/z	Relative Intensity
51.02388	2.0
53.03954	2.6
55.01875	33.9
55.05517	2.1
56.96561	1.9
59.19992	1.8
65.03947	10.9
67.05494	7.9
69.03432	2.6
69.07063	4.6
70.06586	2.1
71.19738	2.7
71.20086	3.8
75.04470	2.2
77.03894	2.0
79.05492	7.2
81.03415	7.4
81.07075	9.8
82.04198	4.7
83.04977	2.9
85.02907	8.3
90.16132	1.8
91.05485	17.7
93.03422	3.2
93.07053	10.1
94.04220	2.9
95.04978	9.9
95.08617	7.9
97.02915	2.3
97.06551	4.9
98.97577	8.3
103.05473	22.9
105.04493	2.6
105.07045	7.4
107.04953	12.2
107.08614	5.6
108.02094	2.5
109.06530	6.1
110.03648	3.8
111.04445	6.2
112.92247	1.8
115.05489	2.8
116.98599	2.0
117.03416	2.2
117.06982	2.4
118.25830	1.9
119.05013	3.1
119.08575	6.6
121.02899	2.3
121.06518	36.3
121.10153	3.2
122.03639	6.8
123.04420	7.9
124.05202	3.6
125.06008	3.1
128.06233	3.4
129.06999	15.8
131.04955	26.0
131.08525	3.7
133.10147	3.5
135.04430	7.0
137.05984	74.6
138.06354	5.0
139.06523	2.4
142.02635	4.0
143.04961	3.3
143.08473	2.3
145.02850	7.9
145.06483	6.5
145.10240	2.7
147.04436	3.6
147.11719	2.6
149.02350	4.6
149.06015	17.4
151.03908	16.5
151.04994	2.3
151.07600	8.9
152.04646	2.3
153.05501	7.6
155.07072	3.4
156.05728	2.1
157.06505	11.0
158.99680	3.9
159.08148	3.1
160.05299	3.3
161.05960	6.0
161.13243	6.4
163.03925	8.2
163.07562	10.2
165.05487	32.0
167.03404	4.3
167.07048	36.4
171.06529	3.0
174.06754	6.1
175.07558	20.1
177.00652	2.2
177.05469	40.6
177.06863	3.0
177.09041	2.6
179.07132	2.3
179.14340	6.1
181.04967	100.0
183.06567	2.7
185.05827	2.3
187.07599	7.0
187.14874	4.7
189.09132	13.9
191.03403	3.3
191.07013	3.4
193.10130	2.3
199.07617	3.7
203.06915	4.5
205.06708	2.2
205.08607	7.2
206.07295	2.9
208.09666	6.3
209.08133	56.6
209.10036	9.9
210.07649	6.2
211.07870	10.4
217.08572	18.8
219.08162	3.9
219.10236	5.6
223.05989	3.1
234.06784	2.9
235.09622	4.6
235.16756	2.1
237.05418	2.1
239.07152	5.0
241.05269	2.4
241.08635	2.2
247.07597	2.7
247.09842	3.1
249.09155	7.1
250.09933	2.8
253.09021	3.8
261.09094	5.7
263.07132	2.1
277.08701	9.1
279.10406	2.5
285.07504	9.2
289.08682	2.5
291.10214	2.4
293.11658	4.1
300.09970	15.6
309.11255	6.1
315.08740	2.0
321.11319	7.4
323.12881	2.5
325.07153	2.1
339.12265	11.1
341.13870	9.0
347.13120	3.1
353.13794	9.6
357.09937	3.4
359.14825	4.6
371.14908	23.4
389.15985	58.0
389.31955	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	389.1783
Annotation	Trp Pro Ser
Peak:m/z	Relative Intensity
51.02618	0.4
56.96571	0.5
57.06573	0.3
61.44349	0.3
71.04593	1.1
84.49795	0.3
91.05447	0.3
98.20945	0.4
98.97601	2.0
107.08639	0.4
116.98602	0.5
121.06538	0.6
167.10667	0.4
173.57631	0.4
197.79765	0.4
204.08615	0.4
209.11845	0.5
227.09698	0.3
227.12657	1.3
269.10645	1.4
287.11737	1.0
289.08981	2.9
371.16968	0.7
389.17932	100.0
390.18140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Debiloside B
Peak:m/z	Relative Intensity
51.27363	1.8
53.03955	1.8
55.01870	2.5
55.05503	7.2
57.03445	2.5
63.64621	1.9
64.11681	1.8
67.05493	7.1
69.03429	10.9
69.07073	10.2
71.04993	4.7
71.57581	3.5
72.08147	2.0
77.39863	1.9
79.05515	12.0
81.03410	4.0
81.07062	23.7
81.54114	1.8
83.04980	6.8
83.08611	2.9
85.02914	11.2
85.06543	12.2
86.04880	1.8
86.09719	4.5
91.05480	8.4
93.07047	26.6
95.04971	4.6
95.08617	23.9
97.02915	3.0
97.06545	10.0
99.08106	5.6
103.05471	10.9
105.07044	17.3
107.04951	3.5
107.08599	73.7
109.06528	12.2
109.10165	19.9
111.08086	6.1
117.07021	2.5
119.08598	17.9
119.67165	1.9
121.06512	9.8
121.10157	36.0
123.08070	17.0
123.11707	3.1
125.09607	5.1
127.03976	2.3
129.07086	3.9
131.04947	17.9
131.08578	14.5
133.10144	38.4
135.08092	10.4
135.11682	7.8
137.05971	18.0
137.09608	8.9
137.13191	2.1
139.11174	15.5
145.04985	2.4
145.10143	9.3
147.11714	11.5
149.09641	16.8
149.13264	40.9
151.03902	2.0
151.11203	21.4
156.05704	3.0
158.10921	3.0
161.06070	3.6
161.13272	6.2
163.07544	8.1
163.11159	3.4
163.14807	19.5
165.12703	2.9
167.07014	7.7
167.10680	5.6
167.14337	2.5
173.05913	2.8
173.13281	28.2
177.05431	6.4
179.14316	3.6
191.14325	77.0
202.06290	2.1
205.08640	3.9
207.06549	4.4
209.15369	47.5
212.27859	1.7
217.08679	10.6
220.13847	2.0
222.00018	2.0
227.16432	100.0
235.07571	2.3
268.19611	1.9
272.71317	2.0
278.09323	3.1
285.07556	4.8
293.08649	2.0
293.11798	4.2
300.10034	4.3
321.11011	2.9
353.13959	5.0
371.14832	4.3
389.15775	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	389.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.7
55.05508	5.4
57.03431	4.6
57.57720	2.6
64.84832	2.4
67.05496	10.7
69.03434	4.7
69.07044	6.7
71.04990	7.0
71.57746	3.7
75.84285	2.7
76.07637	4.2
79.05505	12.2
81.03408	2.8
81.07062	21.8
83.04969	7.4
83.08571	2.9
84.08154	3.8
85.02901	6.7
85.06536	9.0
86.09703	7.4
89.76082	2.5
90.67161	2.3
91.05487	21.2
93.07040	11.8
95.04979	8.9
95.08605	16.3
97.02868	3.9
97.06514	5.9
99.04453	3.8
99.08099	12.6
103.05481	6.1
105.07040	11.6
107.04961	8.3
107.08597	33.2
109.06512	6.3
109.10139	9.4
111.08082	3.6
117.07028	3.1
119.04935	3.1
119.08579	10.5
121.06531	18.6
121.10147	31.2
123.04395	4.5
123.08076	14.1
123.11691	3.8
131.04935	7.6
131.08594	9.4
133.10136	11.9
135.08080	11.7
135.11752	3.7
137.04956	4.7
137.05971	32.0
137.09679	6.0
139.03876	3.3
145.06522	2.9
145.10103	5.6
147.11662	13.7
149.06017	6.2
149.09613	39.4
149.13219	13.8
151.03929	6.6
151.07574	3.8
151.11223	15.2
163.03912	6.7
163.07556	8.2
163.11224	4.2
163.14824	16.5
165.05492	3.6
167.07043	16.3
173.13281	17.8
175.07608	4.4
177.05400	6.0
181.05005	10.1
187.07573	7.3
189.09102	7.5
191.14316	46.7
191.15961	1.7
197.74521	2.8
209.08124	4.5
209.15359	58.7
216.50586	2.9
217.08684	3.6
219.10103	5.2
224.20016	13.4
225.07578	3.4
226.17990	9.5
250.18094	3.6
268.19098	6.9
286.20142	100.0
293.11780	4.1
300.09918	3.4
321.11404	4.7
353.13669	6.2
359.14853	7.5
371.14743	10.4
389.15805	11.3
389.21490	8.5
389.26440	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	389.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03938	1.5
55.05512	0.7
56.96545	0.9
62.83959	0.6
67.05499	1.8
69.07065	1.0
70.76542	0.5
70.76905	1.7
79.05486	1.3
81.07066	2.6
83.50808	0.5
85.02919	0.7
91.05482	7.7
93.07046	8.0
95.04974	2.0
95.08607	2.2
103.05480	5.8
105.04510	1.0
105.07028	2.1
107.08601	0.9
109.10169	0.7
119.08582	0.9
121.06511	79.8
121.10114	0.9
122.06865	0.9
123.08046	0.6
133.06493	0.9
137.06082	0.6
145.10143	1.1
147.08090	0.5
147.11702	0.8
164.07109	2.8
165.07503	1.0
208.09721	5.4
209.10071	5.6
315.14182	1.0
371.25626	0.9
389.22977	100.0
390.23273	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05499	1.2
56.96569	3.8
60.98620	0.5
61.48698	0.5
65.03959	0.5
67.05511	3.7
69.07055	1.2
71.56972	0.7
79.05494	2.5
81.03401	0.7
81.07056	4.0
83.04974	0.8
83.08619	1.4
83.44296	0.5
91.05477	1.7
91.71399	0.5
93.07034	2.0
95.04970	0.8
95.08582	1.8
98.97591	0.8
105.07024	2.2
107.08595	1.5
109.10153	1.8
111.99983	0.7
117.07056	0.6
119.08528	1.1
121.00452	0.7
121.06515	2.2
121.10149	1.0
123.11726	0.8
130.93367	0.5
133.10144	1.0
134.01241	0.5
137.06003	0.7
147.11624	0.7
149.02371	2.5
158.05995	0.6
163.00514	0.6
164.07060	2.0
165.05518	0.6
165.07385	1.2
167.99702	0.7
186.20790	0.6
193.04944	1.4
199.06586	1.0
206.35526	0.5
208.09706	5.8
209.10057	4.8
211.06371	0.5
213.07951	0.8
229.07484	2.6
232.50417	0.6
243.09113	1.0
247.08496	2.1
252.09036	0.6
255.09070	0.7
263.55359	0.6
294.09702	2.3
297.35852	0.5
315.14288	0.8
320.09094	2.7
331.15936	0.8
333.18661	0.6
340.60709	0.7
349.16824	3.5
367.17825	1.2
385.09436	0.7
389.22989	100.0
390.19135	4.2
390.23495	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03953	1.7
55.01891	0.2
55.05516	0.3
57.03421	0.2
62.89029	0.2
66.48659	0.2
67.05511	1.2
67.28921	0.2
69.07054	0.7
69.65005	0.8
69.65421	0.5
77.03936	0.6
79.05493	0.8
81.03407	0.3
81.07057	1.6
84.59218	0.2
91.05486	6.8
93.07047	10.1
95.04980	2.0
95.08602	1.0
103.05475	7.2
105.04518	0.7
105.07006	0.6
107.04977	0.6
107.08604	0.3
109.10155	0.5
117.07012	0.3
119.08585	0.5
119.80321	0.2
121.06511	100.0
122.06861	0.8
131.08560	0.4
133.06485	0.5
135.08046	0.8
135.11769	0.3
135.45706	0.2
143.08650	0.2
145.10117	0.5
147.08104	0.4
149.09535	0.2
159.11720	0.3
161.09584	0.3
163.07477	0.2
164.07112	0.4
165.05614	0.3
165.07361	0.3
172.70593	0.2
195.10109	0.4
208.09726	0.8
209.10049	1.1
285.40564	0.2
343.26205	0.5
353.24796	0.4
371.25912	0.6
374.43671	0.2
389.22400	1.1
389.27661	1.1
389.31522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1549
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
51.02381	0.9
53.03940	4.2
55.01880	0.9
58.50910	0.8
65.03938	0.9
67.84738	0.9
69.79747	4.4
74.41348	0.7
77.03920	1.9
79.05488	2.0
80.05027	1.5
81.03404	0.7
83.09431	0.8
91.05489	13.7
92.78910	0.8
93.07050	22.5
95.04958	4.6
97.02856	1.1
100.11240	1.0
103.05476	19.2
104.04995	2.3
105.04517	2.1
106.06573	4.5
106.36254	0.7
107.04993	1.7
113.81847	0.6
118.02899	0.7
120.04478	0.8
120.08091	0.7
121.06513	99.3
122.06042	0.8
122.06851	1.3
124.01282	0.9
132.04443	3.2
133.05217	1.0
134.06026	7.9
137.05971	2.8
144.04477	3.7
150.05502	1.8
151.03867	1.4
152.07152	0.9
160.03952	21.2
162.05516	21.4
165.05434	1.2
165.07701	1.0
166.08647	1.7
167.07074	1.7
171.25496	0.7
176.07043	3.8
178.04999	13.2
180.06534	2.5
192.06569	32.1
194.08142	63.9
196.06090	2.2
205.06883	0.9
206.04593	1.6
208.09657	2.3
209.10014	2.7
210.07661	2.3
210.10281	2.1
220.06058	7.5
226.10689	4.8
238.07111	67.5
252.08685	8.1
270.09644	4.1
358.12924	2.5
372.15195	1.3
390.15485	100.0
391.15894	2.0
398.02808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1549
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
56.82405	0.5
65.03922	1.8
70.57782	1.1
70.58116	0.7
81.07071	0.7
91.05486	43.5
92.05031	1.2
109.06514	1.9
116.04949	1.4
117.05761	2.2
118.05823	0.7
118.06552	8.1
119.04112	1.1
119.04952	19.1
120.04462	1.3
120.05307	0.7
121.06493	0.8
131.12177	0.7
133.36752	0.5
134.04512	0.5
134.57808	0.5
137.05984	49.5
138.06267	0.6
144.04451	14.9
145.98369	0.6
146.06020	36.2
162.05522	8.2
164.07092	0.8
165.13120	0.6
172.03976	5.9
176.07085	24.6
178.08643	77.8
179.09033	0.8
181.05038	0.7
190.04994	4.7
204.06563	19.5
204.08472	0.9
210.11169	0.8
222.07622	100.0
223.07968	1.8
236.09175	4.1
254.10228	1.6
343.99823	0.7
358.12839	2.7
358.56934	0.6
390.15494	83.3
391.15826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24847	0.6
53.03943	0.8
55.01863	1.9
57.03422	0.6
69.03413	1.5
70.06590	0.8
71.09731	1.3
77.75247	0.7
79.05492	5.0
80.85503	0.6
81.03382	0.9
85.02916	6.7
85.06551	2.5
86.09696	0.7
91.05474	4.1
95.04945	1.1
97.02885	1.8
99.04459	2.1
99.39693	0.7
103.05461	5.7
105.07038	48.9
115.05466	10.5
118.04160	3.8
127.03919	1.3
131.04947	0.9
132.05751	0.7
133.06502	50.7
135.08078	1.8
137.05972	2.3
143.05028	1.3
143.06053	3.1
145.04939	2.6
147.04422	1.0
161.05991	100.0
162.06297	1.2
180.08702	2.7
193.08623	74.8
194.08968	1.0
200.02019	0.7
210.67784	0.7
211.09723	1.1
228.03462	0.8
246.64394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1915
Annotation	14-Hydroxyisostephodeline
Peak:m/z	Relative Intensity
56.96549	0.7
65.03949	0.2
69.87486	0.8
79.05472	0.4
81.07030	0.4
91.05469	0.5
93.07020	0.3
95.08586	0.3
97.76453	0.2
98.21222	0.5
102.46911	0.2
102.62532	0.1
103.05444	0.2
104.04941	0.4
105.07023	0.3
106.06509	0.2
113.02406	0.3
117.05775	0.2
118.06563	1.3
119.04925	0.2
119.08560	0.3
120.08105	0.4
120.93243	0.2
121.06524	2.0
128.98579	0.2
130.06474	0.2
134.05968	0.6
135.04434	0.4
137.04750	0.5
137.05861	0.3
138.05511	0.5
142.07973	0.2
146.06000	0.5
147.06766	0.3
150.05495	0.6
151.06277	0.4
162.05486	0.7
163.06271	0.6
164.07085	2.5
165.05461	0.2
165.07761	0.5
166.05020	0.3
172.03954	0.2
174.05486	0.5
176.07033	0.8
177.07834	0.4
178.08615	0.7
180.06548	0.6
181.07457	0.2
182.08159	0.4
186.30386	0.2
188.06999	0.5
189.07860	0.4
190.05013	4.8
190.06738	0.3
190.08665	0.2
191.05727	0.7
192.06531	0.5
195.08894	0.7
200.04544	0.5
202.08569	0.3
204.06580	2.0
204.10239	0.8
206.08142	10.3
207.08867	0.4
208.06099	1.8
208.09695	1.5
209.10498	1.5
216.06586	0.2
218.04503	4.0
218.08131	0.6
220.09718	0.5
222.07643	6.1
222.11224	0.2
225.06139	0.2
232.06035	0.8
232.09682	0.2
233.10454	0.4
234.07690	0.6
235.08369	0.2
236.05496	1.0
236.09171	0.9
246.11259	0.3
248.09251	0.8
248.12787	1.0
250.07127	13.9
250.10757	12.3
251.07544	0.2
255.09033	0.2
260.09186	0.5
262.07071	0.3
262.10757	0.6
264.12384	0.4
266.10287	2.5
268.13348	0.2
270.11301	0.3
274.10788	0.2
276.08658	1.1
277.11133	0.2
278.10226	3.3
292.11838	1.5
294.09735	62.0
295.09860	0.5
296.12512	0.2
314.14020	0.5
320.11292	0.8
328.15439	0.3
331.15820	1.2
332.15112	0.3
344.18533	0.6
346.16473	0.5
346.20288	0.3
349.16885	2.2
362.19568	0.3
367.17883	0.6
372.18201	1.1
390.19131	100.0
391.19513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	4.1
56.96568	76.2
63.53563	3.2
69.07065	7.3
71.58278	3.3
71.95283	7.9
81.07056	9.2
83.08609	4.5
84.96021	6.6
91.05496	3.8
95.08575	6.5
105.07021	8.1
110.97552	6.1
115.00758	4.0
119.08601	8.3
120.08100	3.9
120.08903	5.3
128.98598	11.7
133.10175	4.8
137.02715	3.8
137.06013	30.5
141.02194	3.9
145.10109	10.9
146.10538	5.2
149.02354	5.3
151.07600	3.8
160.12094	6.9
170.10277	3.4
171.03323	12.7
171.11682	4.4
173.13239	4.0
181.05458	3.5
181.08650	3.2
183.11671	3.5
185.04869	10.5
187.14832	12.0
188.15163	6.8
189.04341	5.1
199.06439	15.2
202.16687	3.4
203.05934	9.0
205.07455	5.1
211.06413	7.0
213.08038	9.9
217.07440	14.6
225.08099	9.2
231.09058	11.8
237.04411	5.1
237.08051	4.2
239.02295	3.5
239.05864	6.1
239.09634	9.9
243.09103	8.0
245.10730	4.5
249.08014	5.0
251.09616	11.5
255.09079	43.3
267.09082	38.1
269.10626	60.5
273.10052	20.0
277.10992	4.0
278.10648	5.0
280.09845	4.4
285.10129	40.9
287.11673	13.6
290.10696	4.8
291.12775	7.1
292.12225	12.5
303.11304	5.8
303.16443	3.8
308.11755	6.8
309.13699	12.7
331.15787	28.6
349.16882	95.9
367.17926	100.0
372.18475	15.1
390.19632	33.3
390.32159	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	390.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96298	2.6
56.96571	50.0
67.86335	1.6
69.07060	3.8
70.06555	1.7
70.91771	1.5
71.59138	2.0
71.95258	4.4
72.93382	1.6
72.96028	4.1
81.07059	3.8
84.96046	2.4
91.05452	2.3
93.07038	1.9
95.08592	3.6
99.39845	1.8
104.07301	1.6
105.07006	2.4
107.08591	1.8
110.97577	3.8
115.00654	2.0
128.98634	4.2
133.01781	1.6
135.11642	1.9
137.05937	4.5
139.00610	3.0
141.02242	3.2
146.99675	3.2
149.02455	2.1
151.00699	2.9
151.07535	2.3
153.02237	4.4
169.01738	2.1
171.03305	4.3
185.04872	8.7
189.04378	3.0
195.06973	3.5
199.06429	13.9
203.05861	8.6
207.06976	3.7
211.06467	3.5
213.07980	20.8
213.16570	1.9
217.07587	8.9
219.06949	2.1
224.83577	2.0
225.07933	11.0
227.05917	1.7
227.09575	2.4
229.07472	4.7
231.08992	12.8
236.09665	2.8
237.07985	4.0
239.09550	4.7
243.09096	6.1
245.10623	2.2
249.07964	7.7
251.09489	18.7
255.09047	25.5
267.09036	35.8
269.10617	100.0
273.10129	12.8
278.10678	4.8
281.10583	2.5
285.10144	40.9
287.11673	24.7
290.10568	4.8
292.12225	22.1
296.11795	2.9
303.11063	2.3
308.11646	6.9
310.13315	2.8
331.15829	6.3
349.16904	26.6
367.17972	60.4
372.18478	2.2
385.19119	3.5
390.19611	11.6
390.36209	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	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
56.07123	1.4
56.96570	73.2
57.07072	1.9
69.07075	2.9
70.73891	4.5
71.95261	6.2
72.96051	2.2
79.05492	3.8
81.07054	4.5
84.22815	1.7
84.96030	3.5
85.64307	1.5
91.05500	2.4
93.07065	2.7
95.08614	5.1
97.96815	1.7
98.21107	3.0
98.97577	2.1
105.00193	2.6
105.07029	3.5
107.08607	2.8
109.10187	3.0
110.97591	8.7
115.00712	4.1
116.98640	2.0
119.01695	2.7
119.08591	9.2
120.08932	3.6
121.06481	1.7
121.10137	2.1
128.98627	8.0
131.08577	1.7
133.01730	2.1
133.10162	4.6
134.10362	2.4
137.02742	3.2
137.05920	3.6
139.00693	2.6
141.02272	2.7
145.10066	9.0
146.10448	4.1
146.99600	1.7
149.02325	1.7
151.00679	3.0
153.02251	4.5
155.03868	1.8
157.01729	2.9
159.03302	2.6
159.11725	5.3
160.12090	1.9
166.71162	1.8
167.03796	3.4
169.01723	2.4
171.03281	12.6
171.11725	2.0
173.04869	2.2
173.13206	3.3
183.03345	2.8
185.04906	14.4
187.14778	10.4
188.15172	8.7
189.04359	5.2
191.05882	2.2
195.06979	2.7
197.04839	2.8
199.06439	19.5
203.05855	10.8
207.06870	3.3
211.06386	4.6
213.07996	14.9
214.16838	2.2
216.18201	1.7
217.05475	2.8
217.07515	13.2
225.08015	8.0
227.05954	2.0
227.09579	6.3
229.07552	4.7
231.07109	4.2
231.09059	9.2
236.09581	2.5
237.08029	5.9
239.09544	4.7
243.09082	5.8
245.10710	4.6
249.07909	9.3
250.11043	1.9
251.09534	14.8
254.10825	1.9
255.09073	38.7
257.10611	2.5
267.06708	1.2
267.09036	60.8
269.10617	92.9
273.10107	22.4
278.10730	4.5
279.09052	2.5
280.09744	3.0
285.10114	67.8
287.11636	20.0
290.10672	6.1
292.12201	14.7
303.11212	5.9
307.15930	2.4
308.11731	8.4
315.13477	1.9
331.15829	25.1
349.16879	63.0
367.17960	100.0
368.17984	2.0
372.18530	4.5
385.19009	3.0
390.19278	15.6
390.23343	68.9
390.31427	11.0
391.24329	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29069	1.3
52.86161	1.3
55.05509	2.6
59.25126	1.6
67.05516	2.8
69.03428	2.5
69.07060	2.2
71.04989	3.2
74.69145	1.3
79.05482	1.9
81.03408	1.6
81.07079	9.8
83.82515	1.3
85.02916	7.5
85.89827	1.3
91.05474	5.8
91.14764	1.3
93.07037	6.4
95.08623	13.1
97.02911	3.5
98.20718	3.5
98.97581	11.4
99.08088	5.8
105.07033	11.4
107.08601	14.7
109.10145	2.6
113.09618	2.5
116.98557	2.9
119.08593	57.9
121.10154	4.2
123.11700	4.1
123.50530	1.3
133.10144	100.0
135.08061	4.3
135.11716	22.9
137.05995	2.3
137.09616	12.0
145.04958	2.1
147.11711	5.6
151.03912	5.7
152.04214	2.4
152.07825	1.5
158.99620	1.9
175.14841	99.7
176.15135	1.8
191.14288	4.5
193.12199	1.7
193.15884	21.9
198.58179	1.4
204.07469	2.1
211.16942	44.3
214.08527	1.6
219.01703	3.0
295.11270	4.2
300.14923	3.0
307.12119	3.2
307.93906	1.6
309.15344	3.8
326.17319	1.9
390.18121	2.7
409.15344	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	391.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05501	0.6
55.63314	0.3
56.96561	0.6
57.03443	0.6
57.07068	0.7
67.05501	0.7
69.03432	2.1
70.06603	1.0
71.04996	3.8
71.08629	0.7
71.56570	0.5
72.08170	0.6
73.02904	0.5
79.05487	1.4
81.03413	0.8
81.07054	0.8
83.04971	1.0
85.02927	2.0
89.03963	0.5
91.05474	1.5
93.07066	2.0
95.04961	1.1
95.08605	0.6
97.02906	0.9
98.21244	0.4
98.97575	0.6
105.07025	1.3
107.08585	2.0
111.04434	1.1
117.03372	2.1
119.08531	0.9
121.06553	2.2
121.10152	1.5
125.09650	0.4
129.05501	0.9
131.08591	1.3
135.11613	0.7
145.02850	5.5
145.10185	0.9
147.04369	0.7
149.02348	4.7
149.06013	0.7
149.09599	4.4
151.03918	0.5
163.03955	0.9
163.11212	1.4
167.03447	1.0
167.10687	18.0
177.05486	7.7
179.03185	1.2
191.10802	2.0
197.04173	3.3
199.03676	4.3
209.11740	3.4
210.15707	0.5
215.05286	8.1
218.14160	0.4
227.12796	1.2
325.93405	0.5
345.09341	0.8
355.17615	0.6
373.08926	3.6
391.10016	100.0
392.10284	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1729
Annotation	Trp Trp
Peak:m/z	Relative Intensity
54.22499	0.3
69.03416	0.5
71.57196	0.5
73.35106	0.4
81.07066	0.4
83.04974	0.3
85.02890	0.3
86.88068	0.3
91.05487	0.5
93.07031	0.4
107.08617	0.3
109.06536	0.3
111.04486	0.3
119.08565	0.5
121.06503	0.7
129.05464	0.5
131.76990	0.3
133.10138	0.8
149.02364	1.2
151.11194	0.8
193.12332	0.4
211.13354	0.6
212.13693	0.3
231.11646	0.3
231.13516	1.6
259.13177	0.5
308.54639	0.3
310.75235	0.3
391.17288	100.0
392.17603	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1966
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.83838	0.4
53.03942	0.7
55.01859	2.3
55.05511	1.0
57.03426	1.8
58.45004	0.4
59.50687	0.5
60.04515	0.4
65.03928	0.5
67.05501	1.2
69.03439	6.9
69.07071	0.7
70.06595	0.8
70.94736	1.0
70.95061	0.6
71.04997	21.5
73.02905	0.5
79.05495	8.3
81.03422	1.6
81.07056	2.0
83.04992	5.3
84.04507	0.7
85.02909	2.7
87.04459	0.6
91.05491	4.5
93.07053	7.8
95.04967	1.6
95.08614	0.6
96.61705	0.5
97.06522	1.9
98.97543	0.5
99.04452	1.2
99.08133	0.5
105.07048	5.6
107.04971	0.6
107.08609	9.0
109.06499	0.9
111.04440	4.3
116.06342	0.5
117.07053	2.5
119.08601	5.8
121.06529	4.5
121.10153	9.6
123.08105	0.6
123.27265	0.4
125.05994	1.1
127.07565	1.2
129.05492	4.6
129.06943	0.5
131.08578	5.8
135.08046	1.2
135.11697	4.0
137.06007	1.0
145.10135	5.9
147.06528	1.9
147.07944	0.5
147.11665	0.6
147.50832	0.5
149.02359	2.3
149.09639	25.3
151.03888	0.6
163.11201	12.3
165.05449	0.8
165.07631	1.1
165.12854	0.6
167.10690	100.0
168.11026	1.4
173.09619	1.3
181.12294	3.1
189.07559	0.5
191.10686	12.4
209.09743	1.0
209.11740	21.4
210.12109	0.5
227.12807	5.8
231.15932	0.4
337.16443	2.0
355.17477	3.5
373.18762	0.9
373.52811	0.5
391.19461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.96553	0.5
57.07068	0.5
65.03930	0.3
67.05508	0.7
69.07068	0.8
71.08628	0.4
71.57008	0.6
79.05476	0.7
81.07057	1.6
82.47766	0.2
91.05463	0.6
93.07051	1.4
93.61627	0.3
94.10345	0.3
95.08631	1.9
97.02847	0.3
97.10137	0.3
105.07049	0.9
107.08605	1.0
109.10135	0.4
119.08595	1.0
121.06493	0.6
121.10142	0.6
123.11733	0.8
131.08574	0.7
133.10109	0.5
134.52370	0.4
135.11723	0.5
137.13289	0.3
143.08559	0.3
145.10144	1.5
147.11714	0.5
149.02359	3.3
149.13295	0.5
157.10158	0.5
159.11716	0.9
171.11668	0.8
171.60612	0.3
173.13200	0.5
185.13301	0.4
187.14844	1.1
197.13266	0.3
199.14949	0.3
201.16469	0.5
203.18108	0.4
213.16484	0.5
215.18153	0.3
241.05574	0.4
241.19447	0.4
246.06125	0.4
249.04025	0.4
269.10571	0.4
321.26099	0.3
380.53177	0.3
391.24554	100.0
391.33224	2.8
392.24844	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85327	1.1
55.05506	1.3
56.96558	1.5
57.07071	2.1
65.68917	1.3
67.05486	3.7
69.07066	2.7
71.08626	3.0
71.56974	1.8
74.12893	1.1
79.05499	2.0
81.07051	4.9
83.04979	1.3
83.08649	1.3
85.02914	1.7
85.76694	1.2
86.09737	1.1
88.74162	1.1
89.30723	1.1
91.05465	3.2
93.07046	4.1
95.04957	1.6
95.08593	3.9
105.03717	2.1
105.06998	2.2
107.08575	3.8
109.10184	2.7
117.06976	1.4
119.08573	3.3
121.06499	3.2
121.10137	3.4
123.11703	1.3
128.36864	1.2
131.08571	2.0
133.10190	2.1
135.08003	1.5
135.11734	1.5
143.08575	1.5
145.10127	3.3
149.02353	21.1
151.11143	1.1
156.17995	1.2
157.10046	2.4
164.07060	3.3
167.03328	1.7
169.10078	1.5
187.14806	3.6
190.04997	2.1
201.16232	1.5
204.10245	1.2
206.08147	4.5
218.04518	1.4
222.07614	2.3
250.07153	7.7
250.10735	3.8
269.10535	1.3
276.08798	1.1
292.11990	1.3
294.09741	25.3
294.12964	1.9
391.24612	100.0
391.33170	3.6
392.20682	48.9
392.24738	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03959	2.0
55.01869	0.4
55.05514	0.3
61.77091	0.3
69.07079	0.4
70.06586	0.7
70.35467	1.0
75.44305	0.3
77.03934	0.4
81.07059	0.5
91.05487	6.4
93.07047	8.9
95.04965	2.0
99.24419	0.3
103.05473	6.9
105.04527	0.4
105.07063	0.5
108.38448	0.3
109.10159	0.3
121.06509	100.0
133.06465	0.6
138.51822	0.3
149.02350	0.4
240.94040	0.3
316.08740	0.3
329.32477	1.1
391.24567	48.3
392.24915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.96573	1.4
57.07071	1.1
61.39335	0.3
67.05512	0.6
69.07058	0.6
70.06592	1.4
70.33072	1.2
71.08625	1.0
72.29542	0.3
77.43875	0.3
79.05479	0.7
81.07079	1.5
88.07630	0.5
91.05490	0.9
93.07033	1.1
95.08595	1.3
102.09234	0.3
103.05444	0.4
105.07014	0.8
107.08593	0.9
109.10191	0.7
110.00744	0.3
112.80716	0.3
119.08591	0.8
121.02843	0.3
121.06516	4.5
121.10160	0.7
123.11707	0.5
131.08528	0.6
132.10204	0.8
133.10306	0.4
135.11633	0.4
143.08482	0.4
145.10175	0.7
146.11798	0.7
147.11984	0.3
149.02342	5.3
159.11752	0.4
161.13263	0.4
167.03444	0.5
177.05345	0.4
187.14835	0.7
189.16423	0.3
199.14986	0.3
229.07478	0.4
247.08469	0.3
248.11972	0.3
255.09076	0.5
267.09158	0.7
269.10751	0.8
284.29495	0.3
285.09958	0.5
285.29828	0.9
321.17059	0.5
328.32150	0.6
329.32452	4.6
351.18549	1.3
357.72873	0.3
368.18411	0.4
369.19339	1.7
390.35898	0.6
391.24551	100.0
392.20670	0.5
392.24924	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.8
70.83783	1.7
91.05495	4.1
98.98473	16.8
111.87485	0.7
115.05470	1.4
116.04980	1.1
117.05789	3.0
117.72362	0.7
118.06601	3.5
119.04953	0.8
120.04407	1.1
125.00014	36.8
139.01491	0.9
142.06541	9.1
143.07262	1.4
144.04457	8.5
146.06024	4.5
148.03995	0.8
149.02362	1.4
160.07596	1.4
169.52948	0.7
170.06029	35.4
172.03967	2.7
176.07091	13.8
188.07054	1.9
195.42787	0.7
198.05527	15.7
202.08649	79.9
204.06590	9.1
216.06525	1.6
220.09753	4.7
230.08136	47.8
236.09216	4.2
243.26302	0.7
248.09265	2.6
250.02676	0.9
262.10779	26.7
280.11832	2.8
286.04675	1.0
294.13379	10.4
300.06329	6.0
314.04239	2.5
328.05865	12.6
333.52542	0.8
341.80295	0.8
349.39600	0.8
360.08438	43.7
392.11050	100.0
393.11407	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
56.05035	3.1
57.03428	1.2
58.87602	1.2
61.02934	1.7
61.50009	1.2
64.90551	1.3
67.80022	1.4
69.03430	2.4
70.06590	5.7
70.69224	1.2
71.58608	1.4
72.08154	3.5
77.60648	1.2
79.05493	3.1
81.03398	1.7
84.04478	3.1
84.08148	1.6
85.02905	8.0
85.06570	1.2
86.09722	4.0
86.54002	1.2
91.05486	4.5
95.04997	2.9
95.06071	2.8
95.08663	1.1
97.02890	2.5
103.05478	4.0
105.07047	5.3
107.04964	35.0
107.08620	3.7
107.39310	1.2
108.81293	1.2
112.07628	2.9
115.05473	1.5
117.07059	1.6
117.67558	1.1
118.08640	1.5
119.04961	2.0
121.02862	1.7
121.06489	1.6
121.10140	6.3
123.08083	2.5
131.04890	1.4
132.10231	2.6
135.08057	11.5
137.06004	3.1
139.96823	1.3
140.07076	1.7
145.02899	1.3
145.04985	1.8
149.02361	2.3
149.05977	1.4
149.09666	5.8
150.02686	1.3
154.06276	3.0
155.07089	2.1
163.07553	20.6
167.07047	36.6
169.08653	4.0
177.05423	1.5
177.09047	7.8
180.07716	2.5
183.10519	1.4
185.09180	1.2
195.10179	100.0
196.10545	1.7
213.11230	66.1
233.09781	1.5
270.18561	2.3
272.14017	1.6
286.18082	3.5
288.19650	1.8
289.71838	1.3
297.32291	1.5
300.19531	3.0
321.07346	1.7
334.07895	1.8
392.08398	14.8
392.19293	2.6
392.24384	46.8
393.09442	1.4
417.81064	1.4
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
52.96671	0.8
57.03452	1.1
65.94875	0.8
67.72681	0.8
69.03426	2.7
69.07065	2.9
70.06584	5.1
70.16944	2.4
70.17337	1.9
73.02898	0.9
79.05491	2.1
84.04506	1.4
85.02922	6.4
86.09707	2.0
91.05482	3.5
93.07037	1.6
95.04986	1.9
97.02879	2.0
98.97604	1.4
103.05462	2.7
105.07044	4.8
107.04962	32.0
109.02879	1.1
112.07578	1.5
115.05500	2.3
117.06996	0.9
119.04929	1.4
120.05706	1.1
121.06503	1.5
127.03898	1.1
135.08061	10.5
137.05991	6.5
138.06314	1.4
145.05005	1.6
147.04425	2.2
149.02371	1.2
154.06265	4.4
163.07562	17.8
165.05553	2.1
166.05754	1.1
167.07059	16.7
180.07811	2.6
183.10405	1.2
195.10179	100.0
196.10583	1.3
198.08905	1.9
203.96371	0.9
207.06714	1.2
213.11224	30.5
230.09242	5.0
270.18506	3.9
286.18036	3.0
288.19696	3.3
300.19611	2.4
313.39206	0.9
330.20581	1.1
350.23727	0.9
392.24313	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01871	1.0
56.96549	0.8
69.03422	2.0
70.06596	3.2
71.58386	0.9
75.52415	0.6
79.05505	4.1
81.03424	1.2
84.08136	0.9
85.02914	7.7
86.09696	1.6
91.05470	2.6
95.04971	0.9
97.02888	2.1
98.97575	1.1
103.04865	0.6
103.05461	3.9
105.07010	2.8
107.04964	36.9
109.02885	0.8
112.07616	1.6
115.05429	1.2
115.14983	0.7
117.07054	1.0
118.13239	0.7
119.04956	1.5
120.05761	1.0
121.06509	1.6
123.04437	1.3
124.05200	1.2
125.05989	0.7
127.03930	1.7
128.91440	0.7
131.04929	2.2
135.08061	10.0
137.05957	3.6
140.07092	1.1
142.32904	0.7
145.04951	2.0
145.07622	0.8
147.04433	2.4
149.02315	1.0
149.05936	1.0
152.04749	0.9
154.06290	1.2
163.07550	32.9
165.05446	0.8
167.07048	86.7
168.07356	1.0
170.09711	1.5
174.93680	0.6
177.05504	1.0
180.07599	1.4
180.08809	2.1
181.08580	0.8
182.15480	0.7
188.10638	0.9
195.10178	25.8
213.11232	100.0
214.11581	1.1
215.13968	0.7
219.01822	1.0
254.15454	1.2
270.18451	3.4
272.16705	0.8
286.18097	4.7
287.18799	1.2
288.19638	4.2
300.19598	3.2
330.20660	0.8
331.21292	0.9
392.18524	3.7
392.24310	56.8
393.24640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2068
Annotation	Roquefortine D
Peak:m/z	Relative Intensity
50.74265	0.2
53.53198	0.2
55.05481	0.3
56.96551	0.4
67.05492	0.5
69.07044	0.4
71.17141	0.4
71.17479	0.3
79.05494	0.3
81.07038	0.6
83.08627	0.2
85.02861	0.3
86.09721	0.2
91.05466	0.7
93.07026	0.4
95.01299	0.3
95.08578	0.4
105.07019	0.3
106.06551	0.3
107.08552	0.3
113.02424	0.3
118.06509	0.8
119.08577	0.4
121.06479	0.8
121.10103	0.3
122.90603	0.2
133.10081	0.3
134.05984	0.4
137.04745	0.3
138.05458	0.5
146.05965	0.4
149.02354	0.5
150.02644	0.5
162.05533	0.5
163.06299	0.3
164.07034	2.4
165.07785	0.3
174.05475	0.4
176.07100	0.8
178.08618	0.6
180.06631	0.5
182.08153	0.3
188.07109	0.5
189.07951	0.4
190.05008	4.1
191.05794	0.4
195.08812	0.3
197.75514	0.3
200.04613	0.6
200.24507	0.2
202.08569	0.4
204.06595	1.8
204.10176	0.5
206.08127	8.9
207.08826	0.4
208.06067	1.6
208.09637	1.1
209.10480	0.7
218.04501	3.1
218.08070	0.4
222.07640	5.4
231.08670	0.3
232.05988	0.5
232.09605	0.5
234.07597	0.3
236.05576	1.1
236.09090	0.5
248.09119	0.7
248.12924	0.6
250.07112	11.9
250.10750	10.1
251.11131	0.3
260.09192	0.6
262.10730	0.3
266.10214	2.2
270.15033	0.3
276.08752	0.6
278.10217	2.3
292.11832	1.5
294.09729	62.6
295.10034	1.0
298.14359	0.4
316.15213	0.4
334.16522	0.5
346.20184	0.6
364.20996	0.5
372.20624	0.7
374.19699	1.5
392.20682	100.0
392.24646	4.0
393.21051	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10505	0.4
56.96542	0.5
67.05493	0.5
69.07056	0.6
69.21863	0.3
71.08585	0.5
71.57948	0.5
79.05487	0.8
81.07019	1.0
86.08250	0.4
86.09630	0.4
91.05467	0.7
93.06998	1.3
94.24011	0.3
95.01339	0.4
95.08586	0.9
105.07022	0.9
107.08585	0.6
117.06964	0.4
118.06503	1.0
119.08567	0.8
121.06479	1.2
121.10115	0.6
126.20773	0.4
130.06439	0.5
131.08586	0.8
135.11670	0.4
137.04646	0.6
138.05435	0.6
145.10121	0.5
146.06039	0.5
149.02287	1.3
150.02620	0.6
159.11630	0.6
162.05461	0.7
163.06311	0.7
164.07056	2.2
176.07088	0.8
178.08537	0.7
179.43483	0.4
182.08049	0.5
187.14743	0.9
188.07063	0.4
188.15186	0.6
190.04997	3.4
191.05704	0.4
192.06648	0.4
200.15077	0.4
202.16705	0.5
203.14769	0.4
204.06549	1.5
206.08141	8.3
208.06032	2.1
208.09615	1.1
209.10425	0.9
218.04477	3.1
222.07628	5.2
232.09587	0.5
236.05568	1.5
248.09184	0.8
248.12878	0.9
250.07115	12.0
250.10745	9.9
255.36382	0.4
266.10217	2.2
268.97653	0.4
278.10294	2.7
292.11761	1.1
294.09726	61.0
295.10089	0.8
334.16641	0.6
346.20248	0.9
351.18329	0.8
352.48471	0.4
369.19287	0.4
372.20361	0.5
374.19547	1.2
392.20694	100.0
393.20972	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	392.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05501	2.6
58.52248	0.9
62.74096	1.0
67.05510	14.7
69.03432	2.1
69.07072	1.8
71.04996	12.1
74.94781	1.0
79.05494	10.3
81.07064	29.3
83.04983	3.1
85.02913	7.0
85.06546	12.0
87.04514	1.1
91.05492	7.5
93.07058	27.9
95.05010	1.9
95.08621	19.7
97.02884	1.3
97.06522	6.5
98.21518	2.2
99.08106	6.1
105.07018	5.2
107.08616	9.9
109.06510	1.1
109.10131	1.4
111.08080	3.1
117.07038	6.9
119.08595	2.0
121.06508	4.8
121.10154	3.3
127.03922	1.3
131.08578	7.7
133.10162	10.2
134.76360	1.1
135.08064	3.4
135.11713	31.2
147.11668	1.6
149.13278	12.9
153.09145	1.1
159.11700	22.9
169.12251	1.1
169.57506	1.2
177.12762	28.9
191.10693	1.7
195.13814	27.5
213.14876	100.0
271.86539	1.1
325.83551	0.9
328.51886	1.1
393.18835	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	5.4
59.63468	4.0
62.87089	4.1
67.05524	7.4
69.07063	9.7
69.53476	27.8
79.05489	19.4
81.07070	34.1
91.05476	36.1
92.06228	4.3
93.07055	52.0
95.04969	5.2
95.08607	15.2
97.06469	5.9
105.07038	89.6
107.08632	22.3
109.06535	4.7
109.10136	8.6
111.04409	5.6
115.05388	5.9
117.07021	32.2
119.08599	61.0
120.09370	9.9
121.10133	12.1
123.11749	28.1
128.06229	7.1
129.06993	17.0
130.07768	10.1
131.08600	24.3
132.09378	24.1
133.10165	30.8
139.81781	4.9
141.07004	7.6
142.07782	22.5
143.08585	44.1
144.09311	19.3
145.10133	100.0
147.11678	17.6
149.05949	6.6
155.08527	16.7
155.18692	4.5
156.09338	14.9
157.10165	53.1
158.10884	8.8
159.11681	17.9
163.07599	6.8
165.65155	4.8
167.08580	8.0
168.09349	6.2
169.10136	21.8
171.11691	18.8
173.13284	8.9
178.10034	5.5
179.08751	5.3
181.10049	11.5
183.11691	24.3
195.11734	9.4
196.12440	6.2
197.13254	13.5
199.14798	12.5
203.17982	6.7
207.48834	5.4
209.13229	13.4
211.14822	12.6
223.14806	8.5
269.15353	15.6
336.20880	51.9
390.30524	4.9
392.27148	15.8
399.63611	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	392.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.1
55.05507	10.9
57.07071	2.8
67.05505	13.6
67.09840	2.8
69.07063	26.7
69.96850	6.8
69.97250	5.1
78.04715	4.0
79.05503	26.4
80.06263	6.4
81.07063	29.1
83.08614	8.8
91.05486	31.9
93.07046	44.2
95.04963	5.3
95.08612	32.4
97.06538	3.3
97.10252	3.1
105.07037	100.0
106.07836	5.2
107.08601	29.4
109.10178	16.6
111.04427	10.8
115.05502	3.8
115.89015	3.0
117.07039	20.8
119.08585	75.1
120.09349	9.3
121.10146	28.1
123.11700	12.7
125.05983	3.5
128.06224	9.4
129.07034	16.8
130.07782	6.5
131.08562	30.5
132.09328	6.4
133.10152	44.3
134.10934	3.2
135.11688	9.4
141.07010	4.8
142.07813	13.2
143.08571	40.2
144.09317	7.7
145.10136	51.5
147.11693	32.6
149.05966	5.6
149.13274	7.4
154.07820	3.0
155.08575	12.9
156.09306	14.4
157.10136	45.0
158.10898	10.0
159.11723	39.9
161.13257	24.9
163.07553	4.6
165.06984	3.3
167.08592	3.8
168.09404	4.0
169.10109	22.7
170.10881	7.9
171.08035	4.6
171.11696	39.1
172.12422	3.7
173.13284	22.6
175.14835	17.8
176.15559	4.7
177.16408	17.4
179.08519	5.1
179.44362	2.6
181.10165	7.6
182.10960	6.2
183.11742	16.5
184.12509	4.3
185.13354	14.0
185.14737	3.0
187.14821	11.9
189.09140	5.1
189.16452	6.0
193.10129	4.5
194.10933	3.9
195.11766	7.8
196.12534	3.2
197.13275	16.4
199.14874	14.6
201.16403	4.1
203.17999	19.3
207.11736	5.6
209.13309	16.6
211.14839	12.5
213.16435	3.6
214.16991	3.0
215.10611	5.6
221.13235	6.9
223.14738	4.2
225.16330	4.3
231.13673	3.2
237.16357	5.9
239.17995	5.5
243.13774	3.2
253.19493	3.5
255.21175	6.3
263.18051	4.3
265.19601	3.4
267.21075	9.1
269.22592	5.0
285.18442	9.1
300.20679	5.0
313.21552	11.2
321.18723	3.3
323.19809	4.3
347.27365	9.6
377.24808	20.6
392.27048	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50174	9.2
58.90238	10.6
70.32303	37.8
122.71565	11.4
129.17371	10.5
152.91838	10.3
171.72618	10.6
393.06003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
56.96558	1.9
57.03436	1.1
57.33479	0.5
61.02925	1.3
69.03440	4.6
69.52070	3.5
71.04989	0.6
73.02931	1.1
81.03443	1.0
84.08152	0.8
84.15861	0.5
84.96057	0.6
85.02905	5.9
85.06546	0.9
87.04455	1.1
91.03889	0.5
91.05496	1.8
96.26619	0.5
97.02913	3.6
98.97598	7.5
99.04448	0.6
101.00904	1.9
107.05023	0.5
109.02876	0.6
110.97559	1.4
112.99133	0.9
113.00900	1.5
115.02448	1.6
115.03889	0.5
116.98629	1.8
117.04121	0.5
119.01936	1.9
119.04966	2.2
124.99109	0.6
125.40162	0.5
127.03973	1.3
128.98636	1.5
130.08775	0.6
131.01921	2.9
133.01776	0.7
133.03487	1.3
137.05977	6.4
143.00165	1.4
143.01897	2.5
145.03564	1.4
145.04958	1.2
147.04395	4.0
148.03864	2.6
155.01939	4.5
157.03476	1.7
158.99657	1.8
159.05019	2.7
161.01178	1.0
161.02998	1.4
163.03856	3.8
170.05214	0.5
170.99751	0.6
171.05072	3.2
173.02982	1.9
175.02875	0.6
175.04535	0.6
177.00891	1.4
177.06070	0.8
179.07065	3.1
185.03050	0.8
187.04636	0.6
189.06094	2.1
198.98608	1.0
201.00702	1.2
201.06125	1.7
203.04059	2.2
205.03836	0.4
205.05499	11.0
205.55696	0.9
213.06110	1.0
214.06038	1.4
219.01819	4.9
219.07120	0.9
220.06261	0.7
221.05093	5.0
225.56743	0.5
237.02866	3.2
237.06920	0.5
239.04424	0.9
243.07146	0.9
246.23586	0.6
259.06702	0.8
261.08099	6.0
262.86539	0.5
265.06390	0.9
275.03409	0.5
277.05984	1.8
279.09296	12.3
281.05249	0.5
295.06934	3.1
302.10687	0.5
318.09760	2.2
333.10001	0.8
345.10602	1.0
357.10645	0.6
375.11548	0.6
384.12021	1.3
393.13666	100.0
394.13873	1.8
409.10083	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	393.152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01205	0.6
67.05515	0.6
68.05013	1.3
70.06585	0.7
71.57477	0.7
84.04489	1.0
84.08091	0.9
85.02875	0.7
91.05463	1.1
93.07026	1.1
103.05482	1.0
121.06514	1.3
125.06026	0.7
130.04980	0.8
131.04922	1.1
134.54312	0.6
136.08508	0.7
137.05992	3.8
140.03455	0.8
149.06067	0.6
151.03905	1.5
163.03925	0.6
165.05466	0.8
166.07285	0.6
167.07062	0.6
189.06381	1.0
197.08199	0.9
201.06471	1.5
202.07280	2.0
203.08028	1.9
204.08849	6.6
212.43951	0.5
215.08098	1.8
216.08817	100.0
217.09564	3.1
218.10309	3.5
225.06429	10.8
226.07173	3.4
227.08119	1.1
228.08871	0.8
229.09554	1.1
230.10405	10.9
240.08815	55.3
241.09517	1.9
246.09875	7.7
258.09943	2.6
268.08286	5.9
272.11420	4.0
283.09448	0.8
300.10925	56.4
301.11261	1.0
311.08875	1.2
315.12088	1.2
333.13168	2.2
343.11340	2.6
361.12561	5.6
375.14240	6.7
393.15204	37.8
393.24237	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	393.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.1
67.05492	0.3
69.57672	1.3
69.58077	0.5
71.46101	0.2
79.05482	1.0
81.07063	1.0
85.02919	0.3
91.05487	25.7
93.07078	0.5
94.04188	0.6
95.04949	0.7
98.20783	0.5
98.97615	0.4
105.07011	0.3
109.06532	2.0
111.04506	0.4
113.48854	0.3
119.04955	14.5
119.08529	0.3
121.02888	0.3
121.06517	0.8
123.04428	0.7
133.02861	0.5
135.04398	0.9
137.05986	100.0
138.06343	0.8
147.04420	0.5
149.02299	0.3
151.03922	1.8
151.07533	0.4
165.05486	24.2
175.03879	0.5
179.07092	0.4
181.04964	0.4
207.06534	2.3
225.07581	2.7
237.47850	0.3
239.09192	1.6
260.94092	0.3
314.16174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1546
Annotation	Massoniresinol
Peak:m/z	Relative Intensity
51.99541	0.3
53.96460	0.3
65.03938	1.6
69.07066	0.4
71.58720	0.5
75.51286	0.3
79.05487	0.8
81.07053	1.0
84.69350	0.3
85.02903	0.4
91.05486	26.3
94.04176	0.4
95.04994	0.7
98.25703	0.4
100.55190	0.3
107.04921	0.4
109.06499	2.3
115.00424	0.3
119.04098	0.7
119.04949	14.8
121.06504	1.4
123.04465	0.6
135.04422	0.5
137.05983	100.0
138.06345	0.9
149.02284	0.4
151.03912	1.5
162.05486	0.4
165.05482	23.5
175.03935	0.5
181.05045	0.4
185.13045	0.4
194.08176	0.6
207.06528	1.7
225.07594	4.0
239.09151	1.0
255.36919	0.4
308.14929	1.1
394.14929	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45019	0.3
51.02386	0.3
53.03957	2.1
53.14923	0.3
55.01855	0.3
63.55322	0.3
67.05489	0.5
69.07091	0.3
70.23015	0.5
70.23410	0.5
77.03940	0.3
81.07063	0.6
91.05489	6.4
93.06466	0.6
93.07047	9.4
94.44270	0.2
95.04979	1.7
95.08617	0.3
103.05476	6.8
105.04523	0.8
105.07044	0.6
107.08600	0.6
109.10164	0.3
119.08598	0.4
121.06512	100.0
122.06875	1.0
134.63005	0.3
145.10139	0.5
148.54977	0.3
149.02364	1.3
167.03413	2.1
181.04965	5.0
192.10178	2.8
223.05975	1.3
296.10245	0.3
297.10483	0.4
301.92490	0.3
393.19806	1.6
393.27789	0.5
394.16644	0.4
413.81363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03947	1.8
53.38507	0.2
65.03931	0.4
69.51091	0.7
69.51521	1.2
77.03935	0.5
88.30405	0.2
91.05486	6.3
93.03389	0.5
93.07050	9.2
95.04981	1.7
103.05483	7.2
105.04533	0.9
110.72587	0.2
121.06512	100.0
122.06879	0.7
137.05991	1.2
149.02350	1.4
157.63527	0.3
167.03430	2.5
181.04968	5.0
185.92522	0.2
195.09779	0.2
223.06053	0.9
312.16858	0.3
355.84949	0.3
400.90298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1885
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
56.23318	0.3
58.38629	0.3
65.18884	0.3
69.07036	0.4
70.06586	0.6
70.86935	0.8
81.07068	0.4
81.31509	0.3
85.06522	0.6
91.05467	0.5
93.07063	0.4
97.02891	0.5
98.97589	0.8
109.02837	0.4
120.08181	0.4
121.06545	0.4
126.71938	0.3
135.04419	0.3
137.06007	1.0
151.03777	0.3
163.03911	1.2
165.05592	0.4
167.07097	0.4
177.05576	0.5
181.04968	0.4
203.05264	0.7
243.18401	0.3
270.38742	0.3
374.01373	0.4
393.18872	100.0
394.19275	2.3
403.81271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30390	0.3
55.01849	0.4
66.33644	0.3
67.05473	0.3
69.07057	0.3
69.40423	2.6
70.06602	0.4
81.03375	0.3
91.05470	0.4
97.02901	0.3
101.40625	0.3
105.07056	0.4
105.51966	0.3
109.10191	0.3
123.04489	0.3
137.05981	1.1
162.00615	0.4
190.19014	0.3
192.82028	0.3
393.18869	100.0
394.19235	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1888
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
51.88614	0.6
57.09266	0.6
60.67348	0.6
69.07066	0.9
71.04977	0.9
71.56554	0.7
79.05490	1.1
81.07072	1.7
85.78620	0.6
86.35948	0.6
91.05470	1.9
93.07031	1.7
95.08618	2.3
97.02876	1.2
105.07037	2.7
107.08593	2.6
117.07020	0.6
119.08583	5.2
121.06522	7.2
123.11707	1.1
133.10139	23.2
135.11711	4.9
136.25102	0.6
142.07800	0.7
147.11655	1.4
157.10141	1.4
157.39359	0.7
159.08037	0.8
161.13277	0.7
162.13614	0.9
175.14822	7.4
201.03717	24.6
206.15421	1.0
213.09126	1.6
215.14125	6.7
215.16142	1.3
216.16872	1.2
265.11932	0.6
278.53012	0.7
393.18839	100.0
394.19391	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.1
55.48662	2.3
55.76347	2.6
56.96571	25.0
57.07058	2.6
67.05507	9.1
69.03414	7.4
69.07067	3.7
71.59454	2.8
79.05491	6.0
79.91573	3.5
81.07060	19.0
83.04966	4.3
86.28181	2.4
91.05488	7.3
93.07033	9.9
95.08629	17.4
97.10176	3.8
98.97607	3.1
105.07031	11.0
107.08617	15.1
109.10150	5.4
110.97571	6.5
119.08591	15.0
121.06514	9.3
121.10157	10.0
123.11709	5.2
128.98602	11.9
129.05475	6.1
131.08586	5.9
133.10085	8.0
135.11699	9.6
138.19325	2.6
143.08514	3.2
145.10120	11.0
146.99640	7.5
147.08116	2.9
147.11693	4.1
149.13216	6.3
157.10109	3.9
159.11693	6.5
161.01112	3.1
161.13271	7.3
163.14815	3.4
171.11722	3.2
173.13316	6.3
175.14807	5.7
175.29860	2.7
177.16487	3.5
180.48227	2.5
182.10501	2.7
183.11781	2.7
185.13240	5.0
187.14886	6.3
189.16475	3.2
191.17947	7.4
199.14812	3.4
201.16466	4.8
203.17978	4.0
211.14789	2.6
213.16411	5.8
215.17941	4.8
225.13254	3.1
227.18037	4.9
241.19460	4.1
255.21031	4.3
263.09607	5.5
315.16333	55.4
326.24988	2.9
331.15588	3.7
333.17365	100.0
351.18530	32.9
356.19012	24.9
374.20081	4.0
393.26889	5.8
393.31409	21.8
393.35406	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	393.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	1.1
55.05492	1.5
56.96572	10.3
57.07070	1.1
62.34760	1.0
63.02961	1.0
67.05499	2.1
67.42076	1.0
69.07062	2.0
71.57511	1.5
71.95267	2.2
73.92616	1.1
77.24393	1.0
79.05480	2.6
81.07054	7.1
84.96036	1.6
86.09725	1.7
91.05497	2.8
93.07064	5.4
95.04982	1.7
95.08608	4.3
100.15866	1.1
101.21467	1.1
105.07017	2.7
107.08586	2.7
109.10155	2.0
110.97569	4.4
116.98653	1.2
119.08576	2.8
121.06510	15.6
121.10172	2.2
123.11676	1.2
128.98607	5.3
133.10132	2.6
135.11681	1.7
145.10101	1.6
145.55597	1.3
146.99634	2.6
148.43629	1.0
149.13208	1.2
157.10168	2.0
159.11757	1.9
181.05251	1.4
254.68515	1.3
263.09775	1.8
315.16321	30.3
315.19839	2.2
331.15613	1.6
333.17374	50.6
351.18430	9.9
356.18909	9.3
374.20190	1.9
376.25974	1.4
393.26144	100.0
393.34839	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
53.93971	0.7
55.05513	6.6
57.03442	4.8
57.07079	32.1
60.27114	0.7
67.05506	14.2
68.77256	0.7
69.06787	0.8
69.07078	9.9
70.15210	3.0
71.08637	25.7
79.05472	2.5
81.07062	23.2
83.08624	12.3
85.09712	1.0
85.10188	13.2
89.27499	0.6
91.05479	2.9
92.78599	0.8
93.07063	5.5
95.08612	29.2
97.10175	7.4
98.98473	60.1
99.11742	1.0
105.07052	4.1
107.08603	4.3
109.10162	12.6
111.11739	2.5
116.99453	0.9
119.08572	4.3
121.06534	3.4
121.10126	1.7
123.11724	7.6
125.00014	0.8
131.08559	2.9
133.10143	3.2
135.11679	1.4
137.13303	4.2
139.14856	1.0
143.08589	1.1
145.10115	5.5
147.11697	2.8
149.13266	1.3
151.14835	1.3
155.01050	100.0
157.10178	5.1
159.11687	3.8
161.13274	0.8
165.16426	1.3
171.11743	1.1
173.13321	1.7
177.16219	0.8
187.14914	1.2
189.16399	1.0
196.03719	1.2
197.13268	0.9
201.16353	0.8
207.11565	0.7
213.16397	1.0
215.17906	1.1
221.22531	1.2
239.23729	10.9
255.21045	1.0
281.22607	1.0
295.24353	1.0
376.26532	1.0
391.38177	0.7
393.18951	0.9
393.23746	1.2
393.28064	1.0
393.35233	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37773	0.3
57.07077	2.1
67.05501	0.8
71.06941	0.8
79.05457	0.4
81.07037	1.0
91.05476	1.1
93.07035	1.3
95.04990	0.4
95.08617	0.9
101.82186	0.4
102.54253	0.3
105.07012	0.6
107.08623	0.6
119.08656	0.6
121.06518	4.0
121.10075	0.5
122.13496	0.4
123.11690	0.4
131.08502	0.4
145.10123	0.5
149.02315	0.4
159.11728	0.4
161.70474	0.4
176.51443	0.4
189.40840	0.4
303.15958	0.4
309.20096	0.7
357.80685	0.4
375.24701	1.4
376.26266	0.5
393.26117	100.0
394.26672	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90037	0.3
52.21791	0.3
55.05506	0.4
56.96533	0.3
57.07070	0.3
67.05489	0.6
69.07069	0.5
71.49524	0.4
79.05485	0.5
81.07053	1.1
81.32971	0.3
91.05481	0.7
92.77482	0.3
93.07052	0.9
95.08593	0.8
103.05474	0.4
105.07027	0.6
107.08588	0.7
121.06528	3.1
121.10132	0.3
135.11739	0.3
140.04143	0.3
145.10072	0.4
157.10191	0.5
201.25810	0.3
277.19565	0.3
279.41101	0.4
333.17432	0.3
382.85184	0.5
393.26132	100.0
394.26474	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90037	0.3
52.21791	0.3
55.05506	0.4
56.96533	0.3
57.07070	0.3
67.05489	0.6
69.07069	0.5
71.49524	0.4
79.05485	0.5
81.07053	1.1
81.32971	0.3
91.05481	0.7
92.77482	0.3
93.07052	0.9
95.08593	0.8
103.05474	0.4
105.07027	0.6
107.08588	0.7
121.06528	3.1
121.10132	0.3
135.11739	0.3
140.04143	0.3
145.10072	0.4
157.10191	0.5
201.25810	0.3
277.19565	0.3
279.41101	0.4
333.17432	0.3
382.85184	0.5
393.26132	100.0
394.26474	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.0
55.01859	3.7
55.05519	24.8
57.03442	5.5
57.07085	37.0
59.05006	4.0
65.92123	2.9
66.34538	2.7
67.05511	45.3
69.03414	5.5
69.07075	26.2
71.04992	4.8
71.08642	20.0
71.57076	3.6
76.92999	3.4
79.05046	4.7
79.05500	43.9
81.07064	80.0
83.04978	9.2
83.08639	20.7
83.09045	3.2
85.06564	7.5
85.10202	9.1
91.05492	58.4
93.07051	89.0
95.04980	61.6
95.08613	79.7
97.06541	10.5
97.10159	5.6
98.98476	47.6
103.05486	7.1
105.04535	3.7
105.07042	93.3
106.27296	2.9
107.08609	59.6
109.06547	15.0
109.10166	43.1
111.08111	5.1
113.62411	3.2
115.05434	5.3
117.07042	25.5
119.08597	100.0
121.06524	72.7
121.10174	40.4
123.08038	6.4
123.11713	15.0
128.06271	12.4
129.07002	24.1
130.07782	6.0
131.08591	43.8
133.10146	49.3
135.08086	6.1
135.11697	23.0
141.07010	4.7
142.07777	19.5
143.08571	43.6
144.09381	9.3
145.10127	67.9
147.11736	25.2
149.09595	4.4
149.13269	7.1
155.01054	85.9
155.08598	14.9
156.09370	12.5
157.10149	49.7
158.10869	6.0
159.08087	3.6
159.11713	44.7
161.09641	24.0
161.13264	7.7
163.11108	5.3
165.07021	4.0
167.08585	4.5
168.09377	5.4
169.10149	26.0
170.10966	6.3
171.11734	24.0
173.13281	26.1
175.11205	12.5
175.14813	17.1
179.08588	4.3
180.09421	3.8
181.10158	11.8
182.10913	4.7
183.11717	19.6
184.12486	5.0
185.09630	4.9
185.13274	18.2
187.11269	7.8
187.14850	11.5
193.10176	8.9
194.10907	5.2
195.11745	11.2
196.12578	3.4
197.13280	15.7
199.14815	9.3
201.16415	9.0
207.11723	4.8
209.13278	12.4
211.11301	4.2
211.14815	9.6
221.13335	6.8
223.14902	9.7
225.16379	5.9
227.14212	5.0
235.14819	6.9
237.16394	6.9
239.17958	4.5
239.23698	9.7
241.19702	3.5
253.15970	9.1
253.19516	3.8
265.19482	5.0
267.21396	3.7
375.26730	5.9
393.19153	4.8
393.27863	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	393.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34808	1.9
53.03943	6.2
55.05516	17.3
56.29276	2.3
57.03405	1.9
57.07067	9.4
65.03953	2.4
67.05506	19.3
69.03416	5.9
69.07077	20.4
69.28305	13.8
69.28718	3.8
71.04961	2.4
71.08613	7.0
79.05495	17.2
81.03406	3.1
81.07062	32.8
83.04995	2.3
83.08612	6.6
85.06570	2.9
85.50651	2.0
91.05479	29.0
93.07054	54.3
95.04976	43.6
95.08611	35.9
97.06528	5.9
97.10174	2.7
98.98473	11.5
103.05488	2.6
105.07034	91.3
107.08608	23.8
109.06510	9.7
109.10149	16.2
111.08097	2.3
117.06998	11.1
119.08582	59.4
121.06522	23.9
121.10139	21.6
123.08055	9.3
123.11707	5.0
128.06218	5.0
129.06987	8.1
130.07794	3.4
131.08580	21.4
132.09337	2.4
133.06473	3.9
133.10118	21.7
135.08070	35.0
135.11688	4.8
137.09663	2.3
141.06960	2.4
142.07773	8.6
143.08554	14.2
144.09285	4.6
145.10132	32.5
146.07307	2.2
147.11693	37.1
148.08798	2.5
149.09653	16.7
155.01041	15.8
155.08574	6.0
156.09215	2.9
157.10168	18.3
158.10986	2.9
159.08054	3.2
159.11678	9.1
161.09619	9.4
161.13287	3.8
163.11198	3.9
163.14801	7.8
165.12714	2.8
168.09358	5.6
169.10201	10.5
171.11644	5.9
172.11510	3.4
173.09618	5.9
173.13225	5.8
175.11194	21.9
175.14882	5.4
177.16380	3.0
179.08533	2.4
181.10089	6.0
182.10930	2.6
183.11639	9.6
185.13257	5.0
187.11176	2.7
187.14732	2.8
189.16403	3.4
191.14320	22.2
193.15903	6.5
195.11925	2.6
196.12560	2.6
197.13261	2.8
199.11322	3.4
199.14864	2.8
201.12752	5.3
201.16370	3.2
203.14316	10.8
205.15881	100.0
209.13087	2.1
211.14777	3.4
213.12720	2.7
215.14319	2.2
217.15901	7.8
218.16722	16.5
229.15892	3.9
241.78046	2.2
270.19724	2.3
271.20630	7.5
283.20706	2.4
284.21341	4.2
289.31259	2.0
313.21497	6.6
316.32083	2.3
375.26779	5.6
376.25784	3.4
393.18997	3.5
393.23184	3.8
393.27872	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.5
56.96559	2.5
57.07074	10.7
60.08201	2.6
62.22929	2.4
67.05508	28.8
68.29478	2.1
68.67310	2.4
69.07069	22.5
70.16197	3.0
70.16531	10.2
79.05508	8.3
81.07062	52.7
83.08630	9.6
88.11285	6.4
91.05498	10.2
93.07038	19.5
95.08607	64.0
97.10196	5.8
105.07056	15.5
107.04939	2.7
107.08607	29.3
108.76179	3.0
109.10159	29.1
119.08600	25.3
121.10146	25.0
123.11701	15.3
129.07086	3.6
131.08611	10.5
133.10149	13.6
135.11690	13.6
137.13232	14.2
143.08554	14.6
145.10101	11.3
147.11734	11.6
149.13257	25.8
151.57904	2.6
156.09428	2.7
157.10236	6.1
159.11716	13.8
161.13338	7.6
163.14865	19.5
169.10158	3.7
171.11700	13.0
173.13268	14.3
175.14828	14.6
177.16357	12.3
185.13255	6.9
187.14870	11.9
189.16463	11.1
191.18146	3.1
199.14891	11.2
201.16516	6.7
203.18045	9.3
205.15973	2.7
213.16400	43.6
213.18301	2.5
215.17973	26.5
217.19557	6.3
227.18022	5.4
229.19647	4.1
235.20673	4.6
236.16525	5.7
241.19527	20.8
243.21146	12.9
255.21132	26.6
269.22723	3.7
292.22800	11.8
297.22208	2.8
348.29269	6.1
393.31476	7.9
393.35373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.1
57.07071	5.2
67.05511	10.6
69.07082	12.7
71.08641	3.6
71.09003	2.3
79.05496	4.8
81.07065	28.6
83.08617	5.5
91.05489	4.5
93.07060	12.0
95.08617	46.9
97.10167	1.9
98.28539	1.4
98.98488	3.3
105.07036	8.8
106.06531	1.3
107.08606	18.9
109.10170	15.5
117.07014	1.8
119.08561	10.4
121.06535	3.9
121.10185	15.1
123.11739	9.2
129.07025	2.3
131.08603	5.6
133.10156	5.7
135.11703	6.6
137.13261	14.7
143.08539	8.2
145.10126	5.5
147.11714	5.0
149.13272	35.9
155.01060	6.7
157.08884	1.3
157.10147	4.3
159.11682	7.5
161.13269	4.0
163.14850	22.3
171.11720	6.0
173.13274	9.0
175.14832	15.0
177.16411	15.3
185.13274	2.5
187.14790	8.9
189.16376	4.4
191.17995	4.1
195.12285	1.7
199.14868	4.2
201.16414	4.9
203.18001	5.8
213.16406	34.3
215.17976	27.1
215.19931	2.5
217.19487	2.4
223.69295	1.6
227.17952	6.4
229.19522	4.9
231.21115	2.1
241.19543	17.3
243.21109	12.3
255.21075	21.3
257.22864	1.7
269.22675	5.4
323.27454	2.6
376.25873	2.1
393.18927	2.7
393.35193	100.0
414.10278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.6
56.11259	4.2
57.07063	8.6
61.40850	3.8
67.05489	16.2
69.07068	13.7
69.57098	18.8
69.57511	5.4
79.05499	7.1
79.65919	3.0
81.07071	38.6
83.08620	6.8
91.05466	10.3
93.07038	16.7
95.08614	60.9
95.73095	3.6
97.10144	6.0
98.20881	7.7
98.21522	7.2
105.07021	15.3
107.08588	33.4
109.10149	28.4
114.32209	3.5
118.06675	3.7
119.08584	21.6
121.10148	22.4
123.11707	11.8
131.08592	9.8
133.10110	15.0
135.11682	16.3
137.13234	10.3
145.10127	18.5
147.11694	10.1
149.13255	28.7
150.02579	3.8
151.14864	4.9
157.10182	5.0
159.11674	13.7
161.13205	12.1
163.14862	9.7
171.11703	6.7
173.13252	9.6
175.14792	7.9
177.16386	8.2
185.13235	4.8
187.14845	9.3
189.16373	8.8
196.57297	3.9
199.14761	4.7
201.16394	9.0
203.17926	7.0
213.16336	5.7
215.17943	10.2
224.90652	4.6
227.17850	4.6
231.21034	4.6
243.21097	11.8
255.20938	8.7
257.22653	5.2
269.22568	4.7
297.81451	3.8
323.27176	4.6
351.30353	4.7
359.14917	3.9
393.30551	5.7
393.35162	100.0
394.34985	4.0
401.75742	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	394.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.6
57.03428	0.6
61.75066	0.5
62.85668	0.5
69.03430	1.4
70.02509	2.4
73.02912	0.8
79.05480	0.7
81.07084	0.6
82.37509	0.5
84.96012	0.7
85.02914	3.1
91.05489	9.0
97.02885	1.5
98.97594	4.2
107.05004	0.6
109.06516	0.6
116.98645	0.8
119.04955	25.9
122.03656	2.6
127.03921	0.7
128.98599	0.7
129.45538	0.6
131.56183	0.6
133.06534	0.8
135.04430	0.7
137.05986	100.0
138.06329	1.6
147.04417	46.7
148.04744	0.7
151.07533	3.0
158.99681	1.2
161.06049	0.9
163.03966	3.9
166.07263	0.7
167.07071	1.7
177.05518	1.2
179.07045	47.6
197.08116	14.6
200.04477	0.7
201.00595	0.6
219.01729	1.3
237.02823	1.0
249.02933	0.6
281.07349	1.1
311.10928	0.7
314.82977	0.6
382.56796	0.5
395.13245	0.9
416.33173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83746	1.3
54.17250	1.6
55.01875	7.0
56.96560	1.9
61.02945	1.8
67.05495	2.9
69.03443	4.0
70.26299	3.1
70.26696	3.1
72.08181	3.6
79.05507	6.1
81.03441	2.5
81.07062	9.3
82.24130	1.6
83.04990	3.5
85.02915	8.0
85.06564	15.7
91.05490	5.9
93.07055	4.0
95.04972	2.6
95.06096	1.4
95.08616	4.5
97.02911	5.3
97.06513	3.5
98.20881	1.4
98.97591	2.3
101.04382	1.5
105.07043	8.2
107.04958	2.8
107.08607	2.2
109.06535	25.5
110.07212	1.4
111.08071	3.8
114.10316	3.0
119.04967	4.3
120.08107	4.6
121.06561	8.0
123.08076	10.7
125.02354	2.8
125.06007	8.5
127.03924	2.1
127.07533	1.6
133.06528	12.6
135.04404	3.4
135.08096	1.6
137.06000	17.2
140.03387	1.5
140.98428	1.7
141.21368	1.4
145.02925	1.8
147.04395	7.6
148.04741	2.3
149.06006	2.4
151.03961	1.8
151.07578	12.6
155.07043	100.0
161.06003	4.2
163.03954	8.7
167.07086	3.3
167.10683	2.9
169.08626	7.5
179.07059	12.8
197.08121	55.7
215.09177	43.1
219.14996	1.7
232.07129	1.6
232.09990	3.0
254.19574	1.9
273.45413	1.6
304.83087	2.0
359.16998	2.4
393.70370	1.7
395.13263	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	394.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
54.61021	1.4
55.01875	2.2
55.05514	7.0
57.03428	4.5
61.02904	1.7
67.05505	12.9
69.03432	5.8
69.07074	10.2
69.22778	11.9
69.23183	4.0
71.04994	5.3
76.45750	1.3
79.05491	7.3
81.07063	38.9
83.04988	3.0
83.08636	9.4
85.02908	17.7
85.06551	4.9
91.03857	1.9
91.05501	10.3
93.07060	10.6
95.08616	42.9
97.02919	5.4
97.06548	9.2
97.10166	6.3
99.08097	6.9
105.07030	18.7
107.08607	4.7
109.02889	3.1
109.06561	1.6
109.10114	3.3
111.08083	2.7
113.09698	2.0
115.07565	1.8
119.08587	27.6
121.10169	7.8
123.08093	4.6
127.03932	2.2
133.10132	21.6
135.11708	13.8
137.06007	4.3
137.09544	1.4
137.13274	15.3
141.09152	1.8
145.04924	2.4
145.74515	1.4
151.14909	1.9
161.13271	70.8
165.05513	5.6
166.68159	1.4
179.14322	100.0
180.08566	1.9
180.14531	1.7
195.04160	1.3
197.15393	49.9
215.16417	11.9
291.27213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
57.03416	0.3
61.02899	0.3
65.03927	0.8
67.01840	0.9
68.99770	0.3
69.03432	2.8
69.39152	2.1
71.04979	0.8
81.02974	0.4
81.03418	4.6
85.02905	2.3
87.00844	0.6
91.05482	8.7
95.04967	0.3
97.02900	2.6
97.27974	0.2
98.20716	0.4
98.21388	0.8
99.04446	1.4
102.92970	0.2
105.07023	0.4
108.16476	0.2
109.02882	6.5
119.04945	24.7
121.06511	0.3
127.02988	0.3
127.03918	5.3
129.01837	0.3
134.47638	0.3
147.04411	100.0
148.04742	1.0
155.11908	0.2
165.05476	2.7
185.04379	0.4
185.09619	0.3
211.07700	0.3
213.03810	0.3
225.30774	0.2
231.06543	0.4
291.08707	2.5
342.47089	0.3
377.08722	0.8
395.09760	4.1
395.20267	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	395.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	0.5
52.01464	0.5
53.03945	1.5
55.05511	1.0
56.06939	0.5
62.96761	0.5
65.03944	1.0
65.76012	0.4
67.01860	0.6
67.05498	1.8
69.03432	3.0
69.07060	1.4
71.04990	1.3
71.57550	0.7
77.02425	0.5
79.05479	1.5
81.03419	5.2
81.07069	2.5
81.93420	0.5
83.05001	0.6
85.02916	2.1
91.05495	12.3
93.07059	2.5
95.04993	0.8
95.08607	2.1
97.02922	3.5
98.97597	0.9
99.04469	1.9
105.07024	1.4
107.08604	1.5
107.37518	0.5
109.02892	7.3
109.06554	0.6
109.10159	1.4
119.04959	23.8
119.08613	1.6
121.06529	5.4
121.10144	1.3
123.11719	0.8
127.03925	4.1
131.08559	0.7
133.10139	1.4
135.11772	0.7
138.61514	0.5
143.08575	0.9
145.10133	1.2
147.04425	100.0
148.04808	0.9
157.10158	0.6
159.11708	1.0
165.05460	3.1
173.13309	0.6
187.14865	1.5
189.16399	0.7
225.16296	0.5
291.08597	1.4
296.10330	0.6
352.07932	0.5
377.08728	1.1
395.09879	3.8
395.21436	1.0
395.25748	0.7
395.33286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
57.03437	0.3
57.97323	0.3
60.65631	0.3
65.03938	0.8
65.09008	0.3
67.01864	1.1
68.99814	0.4
69.03434	3.1
69.31441	1.1
69.31848	1.6
71.04987	0.6
81.03432	4.8
85.02912	2.1
87.00838	1.1
91.05489	10.3
93.39439	0.3
93.44888	0.3
94.88641	0.3
97.02888	2.6
98.21340	1.1
99.04475	1.6
101.07381	0.3
105.11870	0.3
109.02885	6.3
109.97547	0.5
119.04954	25.7
124.60435	0.3
127.03914	4.1
129.01869	0.5
147.04422	100.0
148.04764	0.9
165.05493	2.4
206.53856	0.3
290.12607	0.3
291.08603	1.9
377.08737	0.9
395.09839	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	395.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
52.00723	0.1
53.03949	1.0
61.02927	0.4
65.03942	0.8
67.01873	0.8
68.99784	0.4
69.03434	2.6
70.87658	0.4
71.05000	0.8
81.03423	4.6
85.02905	2.1
87.00843	0.6
91.05486	9.1
97.02897	2.3
99.04449	1.2
109.02127	0.2
109.02887	7.2
119.04950	22.8
127.03933	4.6
129.01880	0.6
138.65532	0.1
147.04416	100.0
148.04776	0.9
152.49681	0.1
153.01746	0.2
153.76118	0.2
165.05495	2.7
231.06544	0.6
273.07437	0.3
291.08600	2.1
309.09631	0.3
335.07727	0.2
366.01089	0.2
377.08765	0.8
395.05069	0.2
395.09790	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
57.03437	0.4
65.03936	1.2
67.01875	1.0
68.99808	0.4
69.03440	2.8
71.04992	0.8
71.17741	0.4
73.05167	0.2
81.02983	0.3
81.03426	4.9
85.02920	2.2
87.00826	0.9
91.05488	9.3
93.07093	0.3
97.02914	2.8
99.04447	1.6
109.02129	0.3
109.02890	6.6
119.04958	26.0
120.05244	0.2
121.06524	0.4
127.03935	4.8
129.01895	0.3
135.15582	0.2
147.04424	100.0
148.04765	1.2
159.88701	0.2
165.05505	2.6
179.91574	0.2
185.09674	0.2
213.03932	0.2
228.64453	0.2
245.39084	0.2
291.08658	2.2
309.09842	0.2
377.08829	1.1
395.09775	3.5
395.20398	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.2
53.03948	1.1
54.23204	0.2
61.02924	0.3
65.03929	1.0
66.80697	0.2
67.01878	1.0
68.99812	0.4
69.03435	3.3
69.31091	0.2
69.31497	1.4
71.05009	0.7
75.65383	0.2
79.05522	0.2
81.03423	4.9
81.07067	0.2
84.31771	0.2
85.02915	2.5
87.00844	0.7
91.05489	10.7
93.07072	0.3
95.04988	0.4
97.02898	2.9
98.21570	0.3
99.04469	1.3
103.26408	0.2
105.07044	0.6
107.04965	0.3
109.02890	7.0
115.88205	0.2
119.04955	24.7
121.06529	0.8
127.03925	4.9
129.01883	0.4
145.06467	0.3
145.10124	1.0
147.04420	100.0
148.04758	1.1
159.08060	0.2
159.11780	0.2
165.05528	2.4
173.09641	0.4
187.11215	0.8
205.12306	0.4
213.03775	0.3
215.10634	0.4
231.06561	0.5
269.04407	0.2
291.08643	2.3
309.09723	0.2
335.07574	0.2
377.08533	0.8
395.09750	4.0
395.20544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
52.77673	0.2
53.03947	1.1
57.03436	0.2
61.02921	0.9
65.03938	1.1
67.01859	0.5
67.05509	0.2
68.99797	0.6
69.03436	3.2
69.07065	0.3
71.05008	0.7
71.57384	0.2
71.57755	0.2
79.05485	0.2
81.03423	3.9
81.07061	0.7
83.04984	0.3
85.02911	2.3
87.00844	0.8
91.05490	11.8
93.07063	0.8
95.04993	0.5
95.08627	0.4
97.02905	2.6
99.04475	1.5
101.02434	0.2
103.05442	0.4
105.07043	0.7
107.04980	0.3
107.08593	0.4
109.02883	5.7
109.06549	0.4
109.10155	0.3
111.04470	0.3
112.05587	0.2
117.07047	0.2
119.04956	26.2
119.08609	0.5
120.05256	0.2
121.06522	2.4
121.10163	0.3
122.06848	0.4
127.03928	3.7
129.01865	1.1
130.06650	0.3
131.08603	0.4
133.10147	0.6
137.05984	2.4
137.09599	0.3
141.07010	0.3
142.07805	0.5
143.08553	0.3
145.04991	0.3
145.06389	0.2
145.10182	0.5
145.14317	0.2
146.06032	0.2
147.04422	100.0
148.04752	1.2
149.09619	0.4
157.06572	0.2
157.10139	0.5
159.11691	0.4
160.74960	0.2
161.09576	0.2
161.13321	0.3
165.05487	2.3
171.08083	0.2
177.12788	0.6
185.09631	0.6
187.07666	0.3
191.14314	0.6
203.05295	0.3
203.14261	0.3
205.12256	0.2
213.09134	0.7
231.06604	0.5
266.17493	0.2
273.14719	0.2
291.08597	1.7
307.21774	0.2
309.09604	0.2
335.18768	1.3
377.08536	0.5
395.09784	2.9
395.16049	0.5
395.20193	1.7
410.98599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62488	0.3
56.56374	0.3
57.94563	0.3
65.56726	0.4
66.37682	0.3
67.05495	0.6
69.07066	0.5
69.74008	1.6
69.74432	0.6
70.06583	1.3
71.04991	0.5
72.08133	0.4
79.05477	0.6
79.09312	0.4
81.07053	0.5
83.05007	0.6
84.08134	0.9
85.02901	0.8
85.06547	4.0
86.06911	0.5
86.09710	0.5
91.05485	0.8
93.07030	0.4
97.02856	0.6
98.97582	1.2
105.07028	0.6
105.77076	0.4
109.10151	0.5
110.07159	0.4
110.97592	0.7
115.05490	0.6
116.98601	0.6
119.04903	0.5
121.06510	0.4
127.03882	0.5
130.59314	0.4
131.18272	0.4
137.05994	1.0
137.69235	0.4
139.11133	0.6
143.00163	0.5
146.03563	1.0
147.04384	0.9
158.99565	0.6
161.05981	5.3
163.03879	0.7
175.07510	3.6
177.05472	0.6
185.04193	2.8
203.07062	0.9
217.04799	0.9
219.01804	0.6
221.08078	0.9
229.09557	0.5
232.07071	6.0
233.07890	7.1
237.02861	0.7
271.06946	0.4
364.11182	0.9
395.13168	100.0
396.13489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37272	0.4
56.72437	0.4
71.27244	0.9
71.65466	0.4
96.36787	0.4
117.06997	0.4
129.74780	0.4
161.05991	0.7
185.04248	4.0
187.71184	0.4
217.04771	1.0
232.07074	9.9
233.07861	6.9
364.11353	1.8
395.13159	100.0
396.13379	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31674	1.0
69.32088	2.8
70.06581	0.5
71.04990	0.6
81.07086	0.8
82.07382	0.5
85.02907	1.2
91.05466	0.6
97.02848	0.6
97.06571	0.5
120.31943	0.4
121.06501	1.1
147.04442	0.6
177.42863	0.5
178.52956	0.5
185.04190	2.7
217.04755	0.9
232.07080	10.4
233.07883	6.2
254.37257	0.4
293.33630	0.5
320.05725	0.4
359.16473	0.9
364.11258	2.3
378.98767	0.5
395.13184	100.0
396.13345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1339
Annotation	Jasmolactone B
Peak:m/z	Relative Intensity
65.03934	1.7
69.98912	1.0
70.11697	3.4
85.02900	1.1
91.05485	27.4
94.88985	0.9
107.27509	1.2
109.06557	1.3
119.04946	17.8
121.02841	1.6
137.05988	100.0
138.06320	1.5
147.04445	1.3
149.02350	3.4
173.94099	0.9
181.04939	1.9
192.31158	0.9
223.06049	1.7
357.96692	1.1
395.13211	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	395.1341
Annotation	Jasmolactone B
Peak:m/z	Relative Intensity
53.03933	0.4
53.82346	0.2
54.04290	0.2
55.05493	0.2
56.96540	0.2
57.59589	0.2
64.25816	0.2
65.03944	2.5
67.01852	0.3
69.03430	1.0
71.58180	0.4
74.77390	0.2
79.05490	0.7
81.03397	0.7
81.07053	0.9
83.05026	0.5
85.02908	0.5
90.22316	0.2
91.05486	29.5
92.05841	0.4
93.03417	0.8
93.07030	0.5
95.04996	0.4
95.08627	0.3
97.02899	1.3
99.04430	0.3
103.03944	0.5
103.05476	0.2
105.07034	0.3
107.04927	0.3
109.02867	0.9
109.06525	1.4
111.04444	2.3
119.04952	19.6
121.02869	0.9
121.06516	3.9
127.03941	0.9
135.04428	0.4
137.05983	100.0
138.06348	0.7
139.03935	1.4
147.04417	15.7
149.02327	1.3
153.05486	1.9
163.03891	0.2
164.07085	0.4
165.05473	0.4
167.03416	2.0
179.07048	0.3
180.06499	0.3
181.04953	2.6
187.07576	0.3
191.03456	0.4
199.06073	0.4
209.04482	2.9
227.05510	1.0
241.07071	6.7
254.96170	0.2
291.08698	0.3
335.16031	0.7
352.61807	0.2
395.09784	0.3
395.14828	0.8
395.20602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.185
Annotation	triamcinolone
Peak:m/z	Relative Intensity
55.02851	1.1
58.99577	2.0
59.05018	1.5
60.04537	8.6
67.05479	2.8
69.03420	3.0
70.02935	1.7
70.74830	2.1
71.05000	9.8
74.00642	3.3
75.86823	1.1
76.02208	1.8
79.05479	3.1
81.07064	12.1
84.20195	1.1
85.02899	1.7
86.00638	3.7
87.41273	1.3
88.02229	8.1
88.03976	4.7
91.05435	1.4
92.01657	1.7
93.07002	3.5
95.04984	2.2
95.07314	1.4
95.08591	2.3
96.04496	1.8
96.05528	1.4
96.08166	1.1
97.01111	1.8
97.06536	3.2
98.21143	2.1
98.97606	1.6
99.08077	5.4
100.02166	2.0
102.03742	2.7
105.06999	4.1
106.05045	8.1
107.07299	2.5
107.08597	7.1
109.06507	4.4
109.10175	8.2
111.02646	2.8
113.04211	2.9
114.03722	3.2
116.03457	3.5
118.05066	1.3
121.06510	2.9
121.10118	1.8
123.02596	2.1
123.11678	5.8
127.03965	1.5
127.11174	1.9
128.05310	37.5
133.10132	2.1
135.11700	1.4
139.11143	1.2
140.04228	2.6
140.05298	45.3
141.03709	3.0
142.04970	3.1
146.02689	2.6
147.04399	2.5
148.37285	1.3
151.11188	30.8
153.12723	1.8
160.06039	1.9
163.03879	1.6
165.07315	1.5
169.12267	7.4
174.02179	1.7
174.05757	2.7
182.09987	5.7
183.08342	1.7
186.05806	3.7
192.03351	3.0
201.09457	6.9
202.06761	1.5
207.04333	1.8
208.11475	3.7
209.05894	1.5
226.12601	23.5
227.08492	1.2
227.12746	1.4
243.08005	1.4
244.13713	1.8
260.11960	1.2
261.08978	6.6
272.13138	2.4
273.09064	15.6
288.94983	1.4
313.15701	2.1
323.14029	2.1
341.15344	36.4
342.13647	6.9
359.16370	100.0
360.14658	4.3
377.17358	18.3
395.09277	20.4
395.13550	4.1
395.18356	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	395.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
53.12931	0.4
55.05511	0.5
56.72895	0.5
65.03962	0.5
67.01869	0.5
67.05519	0.4
69.03416	1.7
69.07074	0.4
70.62778	0.7
70.63097	0.4
71.04993	1.1
79.05476	0.8
81.03430	3.1
81.07048	1.5
82.07401	0.5
83.64925	0.4
85.02908	1.7
86.11956	0.4
87.00814	0.4
91.05486	6.7
93.07026	0.8
95.08638	1.9
96.08954	0.7
97.02879	1.8
99.04449	1.0
105.07040	1.5
107.08607	0.8
109.02883	4.3
109.10101	0.6
119.04094	0.8
119.04949	15.2
119.08582	3.7
121.06544	0.4
123.11637	0.5
127.03925	3.0
133.10138	11.1
134.10471	0.7
135.11694	1.8
137.05986	0.9
147.04417	66.2
148.04727	0.7
161.13266	1.3
162.13640	2.0
165.05502	1.7
175.14832	2.5
179.14310	0.8
180.14664	1.6
191.06624	0.4
198.15657	0.6
201.03728	0.6
203.05281	19.9
215.14404	0.5
215.16444	2.0
216.16820	3.0
291.08627	1.6
357.06912	0.5
372.83963	0.4
395.09921	2.9
395.20425	100.0
396.20795	1.2
404.28543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.331
Annotation	24(28)-Dehydroergosterol
Peak:m/z	Relative Intensity
53.03942	3.4
55.05513	13.3
56.48689	1.5
56.69686	1.4
56.72710	1.3
57.07055	5.2
67.05505	18.6
69.03417	5.0
69.07068	17.1
69.09254	1.4
69.39462	12.8
69.51555	1.3
71.04996	2.7
71.08624	1.6
79.00311	1.7
79.05492	14.9
81.07060	36.1
83.08604	6.9
91.05479	39.6
93.07043	33.4
95.04961	2.4
95.08611	57.3
97.06519	2.0
97.10169	5.8
99.04452	2.0
103.05441	1.8
105.07034	38.6
106.06566	2.6
107.08600	41.4
108.08105	4.3
109.06501	2.7
109.10152	28.3
117.07002	5.0
119.08587	47.3
121.06475	2.7
121.10145	35.5
122.89591	1.4
123.11716	14.2
124.25587	1.4
125.09649	14.3
129.07002	2.7
131.08571	15.9
133.10144	22.7
135.11694	19.9
137.13283	4.3
139.11125	3.2
143.08604	8.1
145.10146	18.3
147.11693	24.1
149.13251	32.4
151.14767	2.4
155.08499	2.1
157.10159	8.2
159.11679	22.7
159.12856	1.9
161.13252	16.3
163.14798	18.0
165.12788	9.9
167.07043	2.4
169.10150	3.3
171.11722	10.7
173.13271	23.3
175.14833	17.7
177.12720	1.6
177.16417	12.7
179.14349	3.0
183.11703	4.2
185.13231	12.3
187.14822	20.6
189.16388	13.7
191.14365	1.9
191.17949	8.0
197.13138	2.6
199.14760	5.1
200.15497	1.9
201.16391	7.0
203.17982	8.2
205.15770	2.5
205.19487	4.5
209.13258	1.7
211.14883	2.8
213.16376	7.2
215.17953	15.8
217.19492	5.4
219.17413	2.7
225.16280	3.2
227.17996	8.0
229.19427	7.8
231.21080	3.6
233.18967	2.8
239.17885	4.8
241.19595	9.2
243.21082	6.9
253.19531	3.7
255.20998	4.8
257.19073	8.3
257.22638	2.3
261.22342	2.3
267.21030	3.7
269.22635	2.6
271.20566	3.3
281.22614	2.6
285.21927	2.2
307.24387	2.2
323.27319	6.5
335.27164	1.6
349.29010	1.6
367.33563	6.4
377.27423	2.7
377.32013	21.9
384.86899	1.6
395.28909	5.6
395.33020	100.0
396.28964	4.5
396.33530	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.05515	14.2
57.07076	9.0
60.66484	1.6
61.93590	1.7
67.05502	17.1
69.06726	2.0
69.07073	30.7
70.23337	1.7
71.08621	6.7
79.05499	13.9
81.06579	2.6
81.07057	47.5
83.08633	19.5
85.06550	2.8
85.10180	6.0
89.06004	5.2
90.87597	1.4
91.05492	12.7
93.07048	24.2
95.04943	1.6
95.08610	43.3
97.10184	13.0
98.20795	4.3
98.21481	4.9
105.07034	26.1
107.08597	24.5
109.10167	33.7
111.11727	4.2
117.07006	5.3
119.08592	18.5
121.10141	19.5
122.86621	1.6
123.11709	14.9
125.13258	1.9
126.26168	1.6
129.06943	1.9
131.08583	10.0
133.10141	18.8
135.11717	21.0
137.13261	8.0
139.14775	2.0
145.10155	15.4
147.11691	40.6
147.12790	3.3
149.13277	16.0
151.14784	3.1
157.10139	4.8
159.11700	30.3
161.13275	34.2
163.14836	8.4
165.16365	2.8
171.11702	3.5
173.13287	22.5
175.14815	14.3
177.16353	3.7
185.13263	5.6
187.14870	7.8
189.16415	6.9
191.18021	3.4
195.12251	2.3
199.14864	5.0
201.16452	9.1
203.17946	9.0
213.16425	6.2
215.18060	7.6
227.18002	3.7
229.19633	3.2
231.20952	3.4
241.19514	4.6
243.21065	2.3
247.24078	2.9
255.21114	7.4
257.22620	3.6
259.24405	2.6
261.25815	2.1
271.24234	3.1
273.25836	2.0
283.24179	5.4
285.25781	3.1
297.25821	8.4
311.27393	3.4
313.28845	3.2
315.32813	1.9
339.30350	2.2
395.36761	100.0
396.37003	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	395.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.05505	15.2
57.07079	4.1
67.05509	28.6
69.07081	37.8
69.20367	23.2
79.05489	18.3
81.07059	70.5
81.07525	4.2
83.08631	14.2
91.05463	17.1
92.33595	2.1
93.07051	44.3
95.08610	100.0
97.10169	8.1
105.07027	22.5
105.80833	2.4
107.08602	77.0
107.09296	4.8
109.06564	2.5
109.10169	61.2
111.11749	2.9
119.08575	27.1
121.10149	61.1
123.11712	25.3
131.08501	2.8
133.10136	25.9
135.11694	36.1
137.13268	10.8
145.10150	4.3
147.11700	18.5
149.13271	52.2
159.11703	3.5
161.13251	19.8
163.14839	78.3
165.16513	2.6
167.30273	2.6
173.13271	5.5
175.14821	18.3
177.16403	47.5
187.14871	7.2
189.16389	20.3
191.17958	19.9
198.67439	2.2
203.17993	40.7
205.19467	14.1
217.19545	29.1
231.21130	6.4
233.22678	6.1
245.22655	4.1
247.24327	5.2
259.24393	2.5
299.27563	3.7
395.29132	3.9
395.36765	96.4
395.41934	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	395.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.7
57.07080	15.1
58.08971	3.3
67.05506	22.2
69.07067	18.6
70.92947	8.7
71.08627	12.3
79.05483	11.4
80.98692	3.1
81.07059	52.0
83.08622	10.5
85.10183	6.6
89.06050	4.6
91.05501	14.1
93.07050	17.3
95.08603	31.7
97.10163	11.9
105.07035	23.6
107.08580	18.4
109.10162	18.8
111.11723	4.8
117.07013	8.2
119.08591	10.9
121.10160	8.0
123.11717	7.7
127.58904	2.9
131.08553	17.2
133.10139	27.2
135.11757	6.2
137.13248	8.6
143.08612	3.9
145.10115	38.5
147.11705	24.6
149.13338	3.8
157.10184	8.5
159.11719	26.2
161.13292	7.0
163.14766	4.1
171.11650	3.8
173.13255	11.8
175.14841	3.2
185.13297	5.0
195.12413	3.0
196.12756	3.8
199.14806	4.6
201.16402	3.3
213.16388	4.3
241.19501	5.3
255.21040	3.5
275.27298	5.0
395.36758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97877	0.2
52.08141	0.2
53.03944	1.2
54.43877	0.2
69.07088	0.3
70.01868	0.6
70.02283	0.4
77.03916	0.4
79.05474	0.4
81.07037	0.3
84.30009	0.2
91.05484	5.4
92.05818	0.5
93.07047	7.0
95.04990	1.3
97.02902	0.2
98.21396	0.4
103.05474	4.5
105.04542	0.5
111.04474	0.3
119.04955	0.6
121.06510	100.0
122.06853	1.1
137.05983	3.7
138.06287	1.8
139.03943	0.2
149.02345	0.6
149.32571	0.2
153.05504	0.4
167.03395	0.2
180.71129	0.2
181.04968	1.1
182.84677	0.2
186.31715	0.2
223.05960	1.2
238.60312	0.2
361.12833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83796	0.3
53.03936	1.1
70.25817	1.2
71.21175	0.3
83.06098	0.3
86.39803	0.3
91.05490	4.3
93.07047	7.1
95.04975	1.1
103.05479	4.0
105.04546	0.5
105.90238	0.3
121.06512	100.0
122.06862	1.1
133.09055	0.3
137.05966	1.0
151.89098	0.3
170.35738	0.3
263.86740	0.3
302.23618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05516	1.2
56.96580	0.8
62.01170	0.8
65.03951	1.0
67.05514	0.8
69.07077	6.5
69.73833	4.3
73.02939	4.9
73.06564	3.7
81.07079	1.7
89.89432	0.8
91.05491	14.2
93.07057	2.6
95.04984	2.4
95.08613	1.0
97.06568	1.0
98.20654	0.9
98.97601	1.2
103.05484	1.4
105.07065	1.0
108.08138	0.8
109.06544	0.9
109.26527	0.8
112.92563	0.7
119.04951	7.3
119.08589	1.6
120.04482	1.0
121.06514	19.8
121.07389	1.5
137.05986	62.2
145.02904	0.8
147.04480	2.8
148.03822	1.4
148.04843	1.8
150.13713	0.9
151.03870	4.6
151.06355	2.2
152.07040	5.7
164.07051	1.1
165.05455	4.6
166.05038	1.9
177.05585	1.5
178.08746	0.8
180.06564	58.3
181.05020	2.0
207.06448	1.0
238.07310	0.8
250.07277	0.8
278.13821	1.3
280.11923	2.6
294.13361	86.4
295.13614	1.6
322.12863	2.9
336.14429	100.0
337.14847	2.4
354.15472	6.2
377.21780	0.8
396.29602	1.8
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
55.01875	0.5
58.28176	0.4
67.05177	0.5
67.05507	7.1
69.03423	2.0
70.06590	0.7
70.32389	0.4
71.04977	0.5
71.57864	0.4
73.02911	0.9
79.05481	2.1
81.03413	0.6
81.07059	19.3
84.04487	0.5
84.08125	1.0
84.18605	0.4
85.02889	1.8
86.09691	0.5
91.05488	1.2
93.03421	0.5
93.07048	2.2
97.02921	0.5
99.04426	0.5
104.36837	0.4
107.08597	11.8
109.10165	12.0
110.12746	0.4
117.07000	1.1
119.08572	0.8
121.06504	1.1
125.05932	0.4
127.03937	0.5
135.08054	21.9
137.05984	1.3
145.04971	0.7
147.04408	0.7
151.03931	0.8
153.09119	12.1
181.08604	13.4
186.75565	0.5
199.09662	100.0
200.10034	1.6
212.30994	0.4
217.10722	7.1
241.15421	0.4
277.95618	0.5
300.05838	1.1
378.06903	1.1
396.07999	2.7
396.12888	1.0
397.14819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
53.24756	0.7
53.75475	0.6
55.05509	3.1
57.03430	1.2
57.07071	2.7
59.03911	0.7
59.05006	1.8
60.09386	0.7
61.02951	0.7
67.05501	1.7
69.03438	3.5
69.07073	23.1
69.70783	1.3
69.71186	3.5
71.04981	1.9
71.72926	0.7
76.87580	0.7
79.05501	1.7
81.07053	4.7
83.04995	1.4
83.08619	0.7
84.11195	0.7
85.02911	6.1
85.06564	1.2
87.00829	2.7
91.05492	1.5
93.07055	6.0
95.08606	6.4
97.02888	2.5
97.06522	3.0
98.21476	0.8
99.04479	1.3
99.08091	1.4
101.06057	0.7
103.03963	1.4
104.10751	1.4
105.07060	1.2
107.08617	4.6
109.02893	1.2
109.10167	2.8
111.11720	12.9
113.06004	1.2
121.06522	0.8
121.10153	19.4
123.08044	2.6
123.69160	0.7
127.03960	1.0
127.06747	0.7
127.07580	4.5
129.05484	1.0
135.11679	5.7
137.09639	0.8
137.13246	2.4
139.07516	2.3
139.11192	59.1
140.11581	0.8
141.09134	7.3
145.04913	1.0
145.10136	1.1
151.11201	1.0
153.12747	2.2
155.14319	9.7
163.11224	4.6
169.12172	1.9
173.15434	2.0
175.72522	0.7
181.10765	1.5
181.12247	18.6
199.13310	100.0
200.13637	1.2
200.83177	0.6
210.42212	0.6
217.24352	0.7
254.73561	0.7
263.18149	0.8
276.20044	0.7
327.49362	0.8
396.21365	1.5
401.20981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39099	0.6
51.49245	0.6
53.09232	0.6
55.01872	1.2
56.05033	1.2
56.96563	2.9
57.03438	1.9
64.06799	0.6
65.03931	0.9
65.17547	0.8
69.03430	2.6
70.02942	0.7
70.06603	3.7
71.55865	1.0
71.56245	0.8
72.93787	0.7
79.05496	0.7
81.03419	0.9
84.04513	18.5
84.08156	1.9
84.96034	2.0
85.02911	31.7
86.03220	0.7
86.06077	1.2
87.04456	0.7
91.05490	1.0
92.05016	0.8
93.07050	1.0
95.01353	3.0
97.02887	1.1
97.20975	0.7
98.97594	3.5
102.05550	12.9
110.97572	1.2
111.73110	0.6
112.03990	2.3
113.02382	1.6
116.04968	1.4
116.07104	1.2
116.98637	1.4
117.03397	0.7
117.07034	2.4
120.04483	1.2
121.06512	7.0
128.15065	0.7
128.98643	1.0
130.05016	100.0
132.95882	2.0
135.08018	1.2
143.00182	1.0
144.04456	16.2
144.95894	0.7
147.04433	1.1
150.96919	1.5
158.09283	1.0
158.97411	4.1
158.99545	0.6
160.99141	0.6
161.01208	0.7
163.03903	1.9
163.07593	0.7
170.99632	1.5
172.03952	5.6
176.07091	29.8
176.98514	0.8
177.00752	0.8
177.05537	0.7
194.08218	0.8
195.03337	0.7
195.10300	0.8
200.98524	2.1
204.06590	29.6
211.02629	0.8
211.07141	0.9
219.01779	1.8
235.00560	1.8
236.09196	24.0
237.02808	2.4
253.01669	1.1
265.03912	1.1
268.11826	54.7
276.99988	1.5
294.07925	2.0
316.08267	1.6
322.07458	0.7
333.10822	1.0
339.07565	1.0
348.10898	1.6
355.07114	2.5
365.13416	5.5
373.07971	1.3
380.13376	2.3
397.07410	2.8
397.16040	29.2
397.20825	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	397.1646
Annotation	Rheediaxanthone C
Peak:m/z	Relative Intensity
51.94810	1.3
60.39803	1.1
62.89035	1.2
66.67180	1.1
70.18112	4.6
79.05503	1.2
87.39180	1.2
91.05479	7.3
94.04188	2.1
95.04977	1.1
100.68551	1.2
103.05462	1.6
103.70189	1.3
105.07005	1.7
107.04985	1.8
109.06512	1.5
115.68270	1.3
117.07051	1.9
119.04954	4.8
122.03669	6.6
125.81871	1.1
128.06233	3.4
129.07011	6.8
131.04964	1.9
131.08583	2.8
133.06496	1.3
137.05983	66.4
139.42363	1.3
141.07001	3.5
142.07791	2.3
143.08589	1.7
147.04462	2.7
149.05983	4.2
151.07536	8.0
152.06248	1.6
154.07689	1.3
155.08582	3.2
157.06465	1.5
158.07260	2.1
159.08096	6.6
161.05991	9.2
161.09633	2.3
165.06995	2.3
169.06461	2.2
169.07709	1.4
170.07289	1.6
171.08096	2.7
172.08823	2.2
173.09752	1.2
174.06734	1.4
175.07578	3.1
177.05431	1.5
181.06453	2.8
182.07300	4.4
183.08102	2.4
184.08887	3.4
185.09607	6.2
186.06781	2.1
187.07591	6.3
189.09167	2.3
189.12718	1.9
191.07063	4.2
197.09642	6.3
198.06818	11.0
199.07631	6.7
200.08304	2.6
201.09142	4.3
210.06781	3.1
211.07614	3.0
212.08322	3.7
213.09137	14.9
215.10658	5.0
217.10277	1.5
223.07669	1.2
225.09103	9.2
229.10236	1.6
231.08069	2.3
231.10176	1.6
243.08055	2.5
243.10210	14.2
245.09662	3.8
245.11859	1.4
246.10423	1.5
247.07571	1.8
255.10182	6.1
257.09659	2.6
258.10226	1.8
259.07425	1.6
260.08371	1.4
261.09131	4.4
262.09906	1.5
263.10703	1.6
264.07773	2.2
265.08569	2.3
271.07474	2.6
273.09052	2.8
273.11288	41.8
274.06140	1.6
274.09628	1.3
275.07043	1.7
275.10632	3.4
276.07791	3.2
277.08728	4.7
277.11963	1.7
278.09482	1.3
279.06763	1.4
279.46057	1.4
285.09329	1.5
287.07257	1.7
288.07819	2.5
289.08624	3.6
289.12305	3.0
290.09265	2.2
291.10098	6.1
292.07571	1.4
292.10870	1.5
293.08154	3.9
293.11615	2.7
301.08685	2.5
302.09552	3.6
303.10156	5.1
305.08267	2.1
305.11584	2.8
306.08826	1.7
307.09650	9.1
308.10422	5.0
313.07166	5.7
317.11826	3.5
319.09766	2.7
320.10413	2.1
321.11237	5.8
322.11963	1.4
323.12784	2.4
325.10764	2.2
329.11954	1.8
333.11209	3.3
334.12070	1.7
335.12878	5.0
337.14365	2.6
339.12399	2.5
348.13535	1.5
349.14462	4.3
351.12317	12.3
353.13794	3.2
354.14621	16.1
361.14249	2.1
367.15485	4.3
379.15457	12.7
397.16498	100.0
412.24219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41586	0.6
67.77231	0.6
69.07030	0.5
69.93969	1.9
69.94360	1.3
88.33171	0.6
91.05475	3.5
94.45675	0.6
101.83072	0.6
103.05490	0.7
107.08551	0.6
115.05470	1.9
117.05849	1.1
117.07054	3.1
118.06557	49.9
119.04972	1.3
120.04463	0.5
121.10130	0.7
130.06543	0.9
137.06004	3.6
142.06544	4.0
143.07320	4.1
144.04449	0.8
144.08104	23.9
146.06026	99.6
147.04419	4.6
147.06380	0.9
148.04761	2.5
149.04959	1.2
160.07622	1.2
161.06065	0.7
170.06035	8.1
178.08653	44.6
180.06430	0.7
180.10172	0.7
188.07091	68.4
198.06636	0.7
203.05292	5.9
210.11278	100.0
211.11789	0.7
213.08942	0.6
218.08109	0.9
240.96645	0.6
243.10249	1.0
268.11835	1.6
273.11206	1.6
308.72501	0.7
354.14700	0.8
379.15527	0.8
397.17441	38.9
397.22134	11.9
398.17941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78723	1.2
55.01863	1.6
56.96557	3.5
57.03431	3.1
69.03421	4.2
69.88747	6.7
70.06607	9.9
73.02947	1.8
81.03399	2.4
81.07079	1.6
81.76997	1.4
82.94347	1.4
84.08146	3.3
85.02883	5.2
87.04472	1.5
91.05444	1.9
93.07041	1.8
97.02888	4.0
98.20991	3.5
98.97586	8.8
101.00913	1.7
107.04984	1.7
112.07607	1.4
116.98587	2.5
119.01897	2.8
121.06522	10.5
122.06894	1.3
128.98631	1.9
130.08607	2.4
132.95813	1.5
135.04372	1.5
136.06194	100.0
145.04991	1.6
155.56779	1.5
157.09663	2.5
161.01282	2.3
163.03856	7.3
169.12300	1.5
173.10406	1.3
185.09227	1.5
191.04532	5.1
199.06383	2.8
213.12270	3.7
217.07414	3.0
219.01833	2.0
227.11140	1.9
235.04646	1.6
237.02690	3.2
239.04236	1.9
247.06964	2.4
252.97806	1.6
265.08154	12.8
268.10416	34.9
286.11807	1.9
337.07809	1.9
355.07822	2.6
373.09308	4.3
397.11536	4.6
397.16901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	0.7
56.05042	3.7
56.96572	1.7
57.01292	0.5
57.07074	0.7
63.67892	0.5
65.03925	0.8
67.05507	4.2
68.65897	0.5
69.03426	1.3
69.07086	0.8
70.06584	0.6
71.05000	0.8
71.57104	0.5
72.93817	0.8
73.02852	0.7
81.03435	0.5
81.07063	1.3
84.04506	0.7
84.08151	100.0
84.96016	0.6
85.02914	2.0
85.06548	2.9
85.08476	0.7
86.09716	3.8
88.15788	0.6
91.05495	1.2
91.42400	0.6
92.05014	0.6
93.07076	0.7
97.02882	0.7
98.97599	2.0
103.05526	0.7
109.02872	0.6
110.97589	0.9
112.82097	0.5
116.05057	0.7
116.98653	1.3
118.08341	0.5
120.04491	0.6
121.06509	7.8
122.06853	1.5
130.08658	17.0
132.95863	2.5
144.04460	8.9
144.95876	1.1
150.96873	1.3
158.97385	4.2
158.99719	0.5
163.03935	0.8
172.03917	2.8
174.96878	0.7
176.07086	17.5
176.98499	1.3
199.06294	0.6
200.98354	2.8
203.07564	1.3
203.57738	0.9
204.06581	18.6
206.05354	0.5
211.00520	0.5
216.97961	0.7
219.01907	1.0
235.00545	1.5
236.09201	11.7
253.01604	1.6
258.99097	1.0
260.12903	1.6
268.11859	12.1
277.00220	1.8
288.12308	2.7
295.02728	0.6
320.14911	3.6
333.14267	0.7
339.07419	0.7
340.07935	0.6
352.17505	1.5
365.17126	8.9
397.05966	2.1
397.11075	1.7
397.19727	58.0
398.20029	0.6
405.14200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
53.03952	1.8
55.01860	0.3
55.05511	0.4
63.21273	0.2
67.05503	0.9
69.07063	0.6
71.48858	0.4
73.67851	0.2
76.60986	0.2
77.03922	0.5
79.05493	2.0
81.07055	1.2
91.05486	7.2
93.07053	13.0
95.04980	2.4
95.08620	0.9
99.84778	0.2
103.05480	7.6
105.04510	1.3
105.07044	0.9
107.04990	0.5
107.08612	1.2
109.10184	0.6
117.07011	0.4
119.08602	0.8
121.06516	100.0
121.10069	1.2
122.06837	0.6
123.11696	0.5
124.05251	0.2
131.08577	0.3
133.10217	0.4
135.11705	0.9
143.08601	0.4
145.10150	0.5
147.11719	0.5
149.13333	0.6
157.10156	0.3
157.34109	0.2
159.11714	0.7
161.13268	0.4
171.11723	0.2
173.13287	0.4
185.09680	0.3
199.11241	0.2
239.18204	0.3
277.21701	1.1
312.49445	0.2
379.30066	0.7
397.26703	1.2
397.31232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
54.48101	1.0
55.05524	5.6
58.77078	1.0
67.05518	7.6
69.07064	8.5
69.35168	7.5
79.05497	9.0
79.54337	0.9
81.07062	25.2
83.08614	4.2
87.32760	0.9
91.05472	7.2
92.43042	1.0
93.07049	27.0
95.08613	24.1
97.10146	1.5
98.20719	1.8
103.39970	0.9
105.07037	25.5
107.08594	31.2
107.94884	1.0
109.10145	9.2
119.08588	26.2
121.10152	17.7
123.11717	3.4
123.33348	1.0
129.06985	1.0
130.89612	1.1
131.08572	3.1
133.10133	18.1
135.11688	7.0
137.13255	2.0
143.08585	1.1
145.10133	5.7
147.11671	13.9
149.13261	100.0
150.13629	1.5
153.09132	1.9
159.11707	5.1
161.13264	68.2
163.14832	26.7
171.11671	1.9
173.13290	2.9
175.14845	19.9
177.16425	5.2
184.03793	1.0
185.13271	1.5
187.14844	4.3
189.16385	24.6
189.18124	1.3
191.10663	1.1
191.17932	1.8
199.72392	1.1
201.16422	12.3
203.17981	22.1
207.17383	2.3
213.16563	1.3
215.17998	6.1
227.17963	2.5
235.16991	4.2
241.19571	2.2
243.21213	1.7
247.16997	6.5
249.18521	2.4
255.21143	2.7
261.18442	1.8
272.89722	1.1
273.18417	2.3
281.22546	1.1
314.66824	1.0
316.07687	1.0
327.92477	1.1
351.30481	13.2
397.31067	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	397.3104
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
53.03944	0.8
55.05503	2.2
57.07066	0.6
61.47114	0.7
67.05506	3.4
69.07079	3.4
71.04993	5.8
73.08182	0.5
79.05490	3.9
79.16594	0.6
81.07063	9.2
83.04972	3.9
83.08613	1.5
83.50081	0.5
85.06563	0.5
91.05487	5.5
93.07056	12.3
95.04971	1.3
95.08612	8.5
97.06539	7.2
99.08103	2.4
105.07041	8.3
107.04977	1.2
107.08604	9.3
109.06557	2.8
109.10161	8.2
117.07018	1.5
119.08589	8.9
121.06507	2.1
121.10155	6.0
123.08081	1.6
123.11712	2.1
127.11198	9.4
129.07011	1.2
131.08586	3.2
133.06493	0.8
133.10138	8.5
135.11699	8.9
137.09651	0.6
137.13277	0.9
142.07808	1.2
143.08536	3.1
145.10112	5.3
147.08099	2.8
147.11673	4.6
149.09608	3.4
149.13284	2.7
153.12863	0.6
157.10120	4.7
159.08061	1.2
159.11703	7.2
161.09616	8.9
161.13297	2.0
163.11203	3.2
163.14792	3.4
171.11720	2.1
173.09618	2.6
173.11989	0.7
173.13264	4.1
175.11227	6.3
175.14844	12.4
177.12807	1.7
177.16341	0.8
183.11687	1.5
185.13245	1.1
187.14809	2.3
189.12773	1.6
189.16339	1.2
197.13252	1.3
199.14798	1.1
201.12689	0.9
201.16289	2.7
203.18001	1.5
211.14786	1.6
213.12816	0.6
215.14394	1.3
215.17957	0.9
219.17482	0.6
225.16472	0.8
229.15895	1.6
229.19658	0.7
243.21094	5.1
253.19604	0.8
261.22235	4.0
292.10114	0.6
311.23712	0.7
339.26962	1.4
361.28964	1.1
379.29938	5.0
397.31039	100.0
398.31339	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15690	1.0
55.05499	4.0
67.05499	7.6
69.03425	1.1
69.07071	7.8
69.83941	1.0
70.83554	2.8
79.05500	8.7
81.07058	23.1
83.08607	3.4
87.59210	0.9
91.05481	10.2
91.34496	1.2
93.07048	28.0
95.04996	1.5
95.08611	18.5
97.02890	1.6
97.10158	2.0
99.49849	0.9
105.07033	24.4
105.47367	1.3
107.08601	29.6
109.10138	8.0
117.06972	1.1
118.99645	0.9
119.08580	28.1
121.06528	1.6
121.10147	17.1
123.11724	1.9
129.07050	1.1
131.08568	3.2
133.10129	16.6
135.08057	2.0
135.11696	6.1
137.05956	2.3
143.08588	1.2
145.10136	5.7
147.08038	1.1
147.11691	18.1
149.13264	100.0
153.09094	2.4
157.10037	1.3
158.92741	0.9
159.11674	6.9
161.13268	74.5
163.14838	23.2
165.09158	0.9
171.11749	1.4
173.13266	3.3
175.14848	18.2
177.16403	3.5
187.14806	2.6
189.16396	27.6
191.17915	1.0
199.14888	1.6
201.16388	12.9
203.17972	17.9
207.17416	1.2
213.16315	1.7
215.17938	3.5
217.12296	1.1
221.15459	1.8
227.17957	1.8
229.19373	1.2
235.16957	4.4
241.19504	1.6
243.21295	1.9
247.16939	5.8
249.18575	3.0
255.20963	1.0
260.08182	1.1
261.18463	1.0
289.21631	1.1
316.02292	0.9
351.30432	10.3
352.67017	1.1
397.31003	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	397.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75695	1.3
53.03939	3.6
55.01882	1.5
55.05514	100.0
56.58546	1.2
56.63512	1.3
56.67941	1.2
57.03445	1.8
57.07071	4.0
59.17061	1.2
67.05509	47.0
67.05873	2.2
69.06715	2.1
69.07070	19.5
70.27685	2.1
70.28079	3.0
71.04981	5.5
76.06790	1.1
79.05495	16.1
81.07062	65.1
83.04996	1.9
83.08624	80.6
85.06545	7.4
91.05473	9.2
93.07056	18.4
95.08610	58.7
97.06536	3.4
97.10182	6.5
99.08091	3.2
105.07004	8.4
107.08591	15.3
109.09462	2.0
109.10165	32.0
111.08090	2.4
111.11729	2.0
117.07006	2.4
119.08590	9.8
121.06477	1.8
121.10147	13.3
123.11708	16.5
125.09582	2.5
131.08574	5.6
133.10136	7.2
134.07143	1.3
135.11700	12.7
137.09714	1.6
137.13239	8.1
139.11238	1.8
145.10107	4.9
147.11682	8.8
149.09653	1.6
149.13242	5.0
151.11171	3.0
151.14880	3.8
153.12741	1.4
155.10669	1.2
159.11710	4.4
161.13263	8.9
163.11223	1.4
163.14897	1.6
165.12796	3.8
173.11736	4.9
173.13272	3.6
175.14813	3.2
179.14301	4.2
181.12148	1.5
187.14807	3.1
195.13841	2.6
209.15364	1.8
223.17108	1.8
233.16788	1.4
243.21153	7.5
261.22162	18.2
279.23209	69.7
297.24246	17.9
312.18951	1.3
352.31976	1.8
397.26987	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.1
57.07084	14.3
59.14733	1.9
61.76064	2.3
67.05506	22.1
69.07072	23.8
71.08637	12.7
71.41009	4.0
79.05487	10.0
80.60934	2.1
81.07066	46.5
82.24039	2.1
83.08627	9.8
84.30456	2.0
85.10165	7.0
91.05502	11.6
93.07042	20.0
95.08611	39.5
97.10165	10.9
105.07036	22.4
105.74250	2.2
107.08588	17.7
109.10161	28.1
110.54685	1.8
111.11706	9.2
119.08595	22.8
121.10149	18.1
123.11710	10.6
131.08633	2.4
133.10135	18.6
135.11697	25.0
137.13263	4.8
145.10123	3.6
147.11707	47.8
149.13214	13.2
151.14832	3.2
159.11700	4.6
161.13278	38.4
163.14832	4.4
173.13286	3.9
175.14859	11.0
177.16348	2.6
179.17975	2.4
187.14915	4.0
189.16411	8.9
201.16315	5.7
203.17981	7.3
215.17935	5.9
217.19562	4.5
229.19505	4.6
243.21101	8.6
257.22684	4.1
261.25870	4.4
287.27338	4.3
301.28864	2.8
315.30426	3.5
332.39661	2.2
397.38306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.2
61.02922	1.3
63.71747	0.9
65.03934	2.0
69.03429	3.3
70.06622	1.0
71.01350	2.5
71.04970	1.0
81.03416	1.4
81.07044	4.0
84.08159	1.4
85.02911	85.2
91.05483	1.1
92.05010	3.3
93.07006	1.3
95.04976	1.8
97.02922	2.5
98.97578	1.3
103.05474	5.1
107.08560	0.9
113.02345	3.2
116.04996	5.7
117.05769	6.7
119.08524	1.2
120.04465	2.9
121.06494	2.6
122.06700	1.1
123.04414	1.3
131.03438	4.9
131.04941	11.9
132.08081	2.9
134.06018	2.6
144.04453	42.9
144.05595	2.2
145.04922	2.1
148.05208	1.2
153.12685	1.7
158.99780	1.0
162.05510	2.4
163.07556	5.2
164.07120	1.6
165.05467	3.2
169.12325	1.5
172.03932	16.7
176.07080	67.2
184.07281	2.1
186.28166	1.0
187.13303	2.0
189.68079	0.9
191.71416	1.0
201.11319	1.1
204.06575	39.4
236.09193	13.2
268.11838	2.6
274.07132	1.0
289.64310	1.0
302.06470	1.8
306.09705	24.1
334.09204	22.8
366.07202	2.4
366.11865	61.7
398.14459	100.0
399.14838	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	398.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
69.76136	0.5
70.45200	0.9
70.45601	1.4
71.48635	0.6
80.30160	0.5
86.28404	0.5
91.05478	3.6
93.07063	4.7
94.65869	0.5
95.04977	2.1
98.21515	0.6
103.05478	4.3
105.04530	0.6
121.06513	100.0
151.03893	1.5
157.49559	0.6
159.69652	0.6
159.70923	0.5
165.05486	3.1
189.21846	0.6
256.15054	0.7
264.16095	0.6
317.45517	0.6
398.19479	0.6
399.20065	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	398.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
59.63222	0.7
63.80228	0.5
69.64333	1.1
69.64734	2.4
77.03960	0.7
79.69838	0.6
81.07067	0.7
89.31921	0.6
91.05502	3.8
93.07059	7.0
95.04964	2.4
103.05489	4.5
113.88663	0.6
121.06521	100.0
122.06834	1.5
123.04408	0.9
137.06033	0.8
137.53673	0.6
144.62743	0.6
145.10155	0.7
150.37257	0.7
151.03931	3.4
165.05489	3.8
193.05084	0.7
199.84320	0.6
213.88129	0.6
225.07570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	26.2
59.04985	6.5
60.04506	4.4
61.02917	8.5
63.73053	2.2
67.05480	2.3
67.30825	3.1
69.03432	74.6
69.07072	34.6
69.84335	6.9
69.84744	6.4
73.02922	23.1
81.03406	6.5
81.07066	5.5
83.04981	3.9
83.08649	3.3
84.84595	2.3
85.02911	97.4
85.06540	11.6
87.04472	52.9
87.08110	3.2
91.03960	4.2
93.07070	6.8
97.02291	4.9
97.02898	79.3
97.06518	3.1
98.20786	2.6
99.04459	4.4
107.08547	4.1
109.02915	4.4
109.10117	2.9
111.08106	20.7
115.03936	97.5
127.03925	18.9
133.04971	100.0
145.04953	37.0
150.07635	10.0
153.09157	5.3
160.86496	2.7
163.06012	28.1
165.09184	4.1
183.10121	2.9
193.05074	3.1
195.10150	4.0
201.11211	2.9
207.06589	3.5
213.11247	3.0
231.12233	3.5
241.07140	5.5
259.08145	10.5
277.09268	3.4
295.10089	11.7
399.16226	4.5
419.12415	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	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59673	1.8
57.03437	34.1
59.04986	2.6
61.02933	13.8
63.74490	1.9
67.95411	1.6
69.03434	43.6
69.03814	2.5
69.07070	54.4
69.77132	8.1
69.77541	2.3
71.01357	6.1
71.04974	2.8
73.02921	79.1
81.03412	6.0
81.07047	2.5
84.04511	6.3
85.02908	100.0
87.04475	5.2
87.45879	1.8
91.03976	5.4
91.05481	5.2
93.07059	3.1
95.08642	1.7
97.02894	62.3
99.04433	3.9
107.08570	2.3
109.02880	9.0
109.06522	1.8
111.08103	4.0
112.20854	1.8
112.99162	1.7
115.03933	55.5
118.71407	1.8
127.03913	32.3
130.05006	2.9
132.06555	2.1
133.04979	19.2
137.05986	3.6
145.04964	55.7
150.07620	5.2
163.06021	44.4
163.07391	2.6
166.61249	1.6
175.03870	2.3
183.10162	3.6
195.10129	3.0
207.06628	4.4
213.11258	4.5
219.01826	2.1
223.06007	8.0
231.12222	6.0
241.06978	9.1
259.08096	16.4
295.10190	20.2
387.72064	1.8
398.15396	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	398.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	0.8
58.00766	0.2
61.57895	0.2
64.51642	0.2
65.03944	1.4
70.69640	0.5
85.10198	1.6
87.04449	0.3
89.32787	0.2
93.03423	0.4
95.08620	0.2
96.35632	0.2
109.10223	0.2
111.04459	0.2
121.02872	3.8
121.03973	0.7
121.99780	0.2
138.09122	0.3
149.02351	100.0
150.02667	0.9
164.07043	0.5
166.12227	0.2
167.03403	0.9
190.05028	1.4
197.06085	0.3
200.77315	0.2
224.07072	0.5
225.05376	0.6
233.11795	1.0
239.09464	0.3
240.10217	2.6
250.08621	0.5
252.06418	1.0
266.08148	1.8
267.08942	0.7
268.09683	0.9
269.10410	0.2
296.12863	5.2
398.23276	7.1
398.43530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96478	6.0
71.43479	1.4
71.95175	1.8
89.00258	0.6
97.02823	1.5
98.97591	70.3
98.98502	2.1
101.00790	2.2
112.48710	0.8
112.49455	0.6
116.98628	41.6
119.01945	8.2
120.01962	0.8
120.97824	0.7
121.01575	1.5
123.67640	0.8
134.99672	14.1
137.02849	2.4
140.00160	0.9
142.03452	1.5
153.00638	0.9
172.94247	2.7
177.00958	3.6
178.01001	1.2
179.00577	2.1
190.95418	3.3
199.13924	0.7
204.23172	0.6
208.96404	0.8
214.95345	2.1
219.02049	4.6
220.02107	1.6
221.01711	1.3
232.96492	6.9
238.95496	1.2
243.02019	1.0
250.97520	2.8
256.93655	1.1
256.96478	18.4
257.96616	0.8
258.96695	1.4
258.99875	6.3
261.03082	7.9
262.03168	4.5
263.02884	4.1
264.03186	0.9
272.94485	1.9
274.97528	100.0
275.97913	1.2
277.00974	4.1
283.00006	14.7
284.00107	0.9
284.99924	0.9
286.00076	0.8
292.98581	43.9
297.99142	2.6
299.94058	0.7
300.97952	1.1
301.01074	12.7
302.01129	0.9
303.00763	1.2
313.84421	0.8
316.00089	1.2
317.93488	0.9
319.02151	0.9
320.94983	0.8
344.94528	0.8
353.24829	0.7
360.58469	1.7
360.91974	1.4
361.25504	0.8
366.58594	1.5
366.91858	2.3
367.24982	1.2
367.59631	0.8
368.25888	0.9
372.58829	1.7
372.92630	3.1
373.92950	1.2
374.26447	1.4
374.59512	0.9
374.92947	1.2
375.45874	0.9
380.96814	10.1
381.93594	3.4
382.43286	1.8
394.91348	1.8
398.97983	23.1
399.97910	0.8
416.94699	1.3
416.99414	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52969	2.0
67.48095	2.2
70.09479	10.1
72.33401	2.6
85.02911	3.3
98.97592	2.9
133.07217	2.3
193.63713	2.2
196.88947	2.4
202.42264	2.1
203.05293	8.4
399.12766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	3.2
58.99879	1.1
69.03438	3.0
70.00762	1.2
70.06615	1.5
70.60914	3.2
73.02906	1.3
74.81110	1.2
81.03467	1.5
81.07073	5.1
82.99851	1.9
84.96036	2.1
85.02923	5.0
86.99290	1.1
91.05492	3.4
97.02908	3.9
98.97578	7.7
101.00883	11.2
109.06544	3.1
110.97597	4.3
112.99211	1.3
113.00887	10.7
115.02434	3.8
116.98622	1.2
119.01944	10.1
119.04910	2.4
121.01750	1.7
121.06506	3.0
127.02426	4.2
127.03901	1.4
128.98595	2.5
129.04008	1.3
131.01920	18.4
133.03482	5.2
133.06400	1.5
135.04448	3.0
137.00870	2.7
137.05984	24.1
138.01659	1.9
139.02466	1.5
143.01900	9.4
145.03519	12.9
155.01909	16.7
156.02702	5.5
157.03520	4.3
158.99657	2.2
161.03000	7.8
163.03922	4.0
165.04056	1.8
167.01923	1.6
170.39400	1.2
173.02969	12.1
175.04573	1.9
177.00735	1.6
177.03957	1.9
179.05505	3.1
181.03461	2.7
183.05093	3.0
184.02200	1.4
185.02975	3.4
191.05536	1.5
193.01836	1.4
193.03531	2.3
193.39035	1.3
194.04280	1.4
195.03334	1.6
195.05008	11.7
197.02971	8.1
197.06656	2.2
197.10262	1.3
199.04485	1.6
201.09711	2.1
203.03883	11.7
203.05722	1.6
205.03476	2.3
207.05055	6.4
209.02878	1.7
209.06525	2.1
209.10416	1.5
211.04720	2.5
213.06126	6.3
215.11334	5.4
219.01831	4.2
219.05086	4.6
221.03052	1.7
221.05043	36.5
223.04547	5.2
225.06093	8.1
227.03954	1.8
227.11305	4.0
231.05092	5.3
233.06709	2.4
235.04617	3.8
237.02490	2.5
237.03836	1.4
237.06123	26.1
238.06316	1.2
241.05569	2.2
243.07120	2.0
245.12196	2.1
249.06136	29.7
250.06686	1.4
251.07736	4.7
253.05460	1.3
255.02039	1.5
255.05110	1.3
255.07240	11.0
261.06082	7.7
263.03931	1.2
263.07645	2.4
263.13419	4.1
267.07193	10.1
269.08810	2.0
273.06119	11.6
279.07227	13.7
291.07202	13.9
297.08389	1.3
309.08240	3.0
316.38452	1.3
321.08194	4.7
327.09274	12.3
339.09424	56.6
340.09436	1.7
357.10397	100.0
358.10547	3.8
380.11826	2.7
381.10654	1.9
396.05606	1.2
399.12119	29.1
399.18634	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	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.6
57.03431	0.8
61.02931	0.7
67.05540	0.7
69.03428	2.2
71.57053	0.8
71.90508	0.6
75.35144	0.6
79.15066	0.5
80.61084	0.5
85.02905	4.4
85.06538	0.9
87.04439	0.6
89.00607	0.6
89.03886	0.9
97.02895	1.5
98.97576	1.7
101.00907	3.1
103.00652	2.9
111.04463	0.7
117.03416	0.9
119.01922	3.7
119.04930	1.2
121.01700	3.5
127.03830	0.8
129.02074	0.7
135.04411	0.9
137.05977	2.0
143.01901	2.8
145.01692	1.4
145.02750	0.9
147.03186	1.8
147.04382	1.3
157.03502	1.6
159.03253	3.0
161.02979	2.5
163.02721	1.1
163.03934	5.7
165.05437	1.1
185.17082	0.6
195.04927	0.8
203.05275	3.1
205.05681	1.0
207.05254	1.9
223.06644	2.3
225.06361	4.9
237.07449	4.6
243.07349	1.2
265.07733	1.7
267.07428	1.2
275.09494	0.9
293.09222	4.3
295.07010	1.6
297.08362	1.9
309.08286	0.7
321.08945	0.7
339.09283	2.1
363.05914	1.1
369.10388	0.8
381.06888	2.3
381.11215	2.9
399.12558	100.0
400.12939	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07207	0.4
52.47335	0.4
53.28427	0.4
56.96561	0.8
60.32495	0.4
63.98888	0.4
69.03432	0.7
70.21342	1.2
70.55885	0.4
85.02906	1.3
91.05462	0.4
97.02923	0.5
98.97565	1.3
110.97611	0.6
115.26791	0.4
119.01976	0.4
135.04416	0.5
137.05969	2.9
147.04401	1.5
158.99799	0.4
163.03987	0.8
179.06969	0.5
203.05278	34.2
211.05441	0.7
219.01761	0.7
237.02739	0.4
297.27106	0.4
305.34433	0.4
399.12640	100.0
400.13046	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1267
Annotation	Picraquassioside A
Peak:m/z	Relative Intensity
51.72908	0.5
59.01657	0.5
69.03405	0.8
71.01341	1.1
72.08140	0.7
80.04884	0.5
81.03401	0.5
84.04490	0.6
84.08094	0.5
85.02891	2.2
87.08080	0.9
89.03885	0.6
91.05460	2.2
97.02887	1.1
98.97564	1.8
103.05449	1.0
110.97554	0.5
111.04440	0.6
114.10294	1.1
119.04934	1.9
131.04903	2.1
141.22485	0.4
145.05022	0.7
147.04372	1.7
163.03885	2.1
163.07535	1.4
165.05472	1.5
174.12743	0.7
175.03906	2.7
203.05263	3.7
207.06509	6.6
219.01804	0.6
219.06314	11.5
237.02814	1.2
237.07381	4.1
238.14310	0.9
339.07578	2.3
344.17157	0.5
357.08585	1.3
399.12518	100.0
400.12781	1.8
404.03036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1287
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
57.03428	0.8
58.95885	0.6
60.18306	0.8
60.38070	0.8
65.03922	1.8
69.03419	2.7
71.01569	1.7
81.03390	1.3
85.02903	5.2
85.29238	0.7
89.03876	1.5
91.05486	25.6
97.02922	3.7
103.03940	0.9
103.05470	8.6
109.02879	0.8
119.04945	35.6
126.14201	0.8
127.03873	2.3
131.04926	17.8
132.02061	2.0
135.04401	0.8
145.02913	1.0
145.04980	0.9
147.04416	26.3
148.05200	2.1
149.02394	1.7
157.03967	3.1
163.07549	9.1
164.04683	1.2
165.05501	6.2
175.03912	47.7
177.05508	1.1
179.07040	3.3
192.04172	1.4
197.39694	0.8
199.19243	0.9
207.06535	100.0
208.06915	2.0
213.95132	0.8
390.90613	0.9
399.16641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13115	0.3
53.03948	2.0
55.01881	1.5
57.03442	6.8
61.02936	2.5
63.68357	0.4
65.03936	0.7
67.05506	0.6
69.03432	10.6
69.88825	1.9
71.01373	0.4
71.04993	1.7
73.02921	1.5
75.04491	1.4
75.67920	0.4
77.03945	0.6
79.05527	0.4
81.03422	5.6
81.07061	0.4
83.01353	0.6
83.04986	0.7
84.08142	1.5
85.02911	22.2
86.09714	0.8
87.04464	1.8
91.03947	1.0
91.05482	6.0
95.04965	1.8
95.08634	0.5
97.02897	12.5
99.04464	3.4
102.04687	1.1
103.04021	2.5
103.05473	44.2
105.04556	0.7
105.07020	1.5
107.04973	0.4
108.51020	0.3
109.02881	4.6
109.06545	0.4
111.04450	0.7
115.03917	1.1
117.03346	0.6
117.05518	1.5
119.04948	7.6
127.03925	8.4
129.05504	0.6
130.04170	1.2
131.04936	100.0
132.05289	0.6
133.02858	0.6
133.06488	1.2
134.63727	0.4
135.04445	0.4
137.05966	0.8
145.02957	0.9
145.04965	3.6
145.06374	0.5
147.04419	7.9
148.05206	11.6
151.03909	2.3
157.03917	0.7
159.06593	0.6
159.08101	0.8
160.05215	0.9
161.05988	5.0
162.06781	0.9
163.03893	1.2
163.07550	53.6
165.05482	11.8
165.06880	0.6
173.09560	0.5
175.03922	11.3
175.07553	1.3
177.05486	0.4
179.07002	0.9
183.06499	0.6
189.09087	0.8
193.04942	0.4
200.38667	0.4
201.07518	0.6
201.09157	2.2
204.07770	0.4
207.06537	24.6
215.13930	0.4
219.10181	1.2
219.17456	0.5
225.07571	0.4
232.16684	0.5
237.11238	2.8
237.14859	0.4
277.16479	0.7
278.17062	0.4
353.16116	1.4
355.18503	1.0
399.16687	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96367	1.0
53.03944	2.2
55.01886	1.1
55.05516	2.1
56.96568	1.7
57.03434	1.3
62.08969	0.9
65.03925	1.3
67.05511	2.3
69.03436	7.9
70.25777	1.0
71.04996	19.4
71.57217	1.5
79.05518	4.5
81.03429	2.4
81.07074	4.1
82.07590	1.1
83.05006	3.4
84.08158	3.8
85.02926	3.7
91.05486	11.4
93.07063	7.7
95.04985	1.8
95.08615	6.6
97.02937	3.3
99.04464	54.3
103.05459	2.2
105.07038	94.1
107.08640	4.4
109.02918	2.0
109.06548	3.2
109.10168	2.3
111.04472	1.7
117.07052	2.6
119.04962	2.6
119.07897	1.1
119.08584	6.3
121.06510	14.9
121.10173	1.6
123.08080	9.0
123.11729	2.2
127.03934	5.5
128.06262	3.0
130.05070	2.3
131.04877	1.1
131.08606	2.5
131.55481	1.0
133.06512	12.8
133.10139	58.3
135.11772	1.4
137.09695	1.5
139.03917	2.4
143.08640	4.6
145.10124	5.4
146.07253	5.6
151.07539	5.5
151.11240	3.0
157.05008	1.9
161.09634	100.0
163.11192	17.1
165.60582	1.1
179.10690	43.0
189.09106	11.7
207.10204	8.9
211.16914	1.3
219.06384	1.3
219.17474	1.2
225.11342	1.3
381.15451	2.0
391.33231	1.3
399.20157	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1992
Annotation	Lys Asp His
Peak:m/z	Relative Intensity
62.85908	0.6
67.05480	0.7
69.07057	0.7
71.58133	0.6
79.05471	0.6
81.07063	1.0
90.86045	0.5
91.05492	1.4
93.07048	1.1
97.02914	0.6
104.10832	0.5
105.07013	0.6
107.04992	0.6
121.06519	1.4
121.10180	0.6
122.06807	1.0
127.98370	0.5
133.10081	0.8
137.06071	0.7
161.13229	0.9
169.28752	0.5
173.76732	0.5
188.06810	0.6
219.17520	0.9
237.13405	1.6
238.07126	1.4
255.14517	1.5
399.19913	100.0
400.20099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1995
Annotation	Lys Asp His
Peak:m/z	Relative Intensity
69.03423	0.7
69.42585	3.1
81.66340	0.4
82.51627	0.4
84.08145	0.6
85.02918	0.6
91.05466	0.7
93.07044	0.8
99.04466	1.0
105.07026	1.4
105.21179	0.4
107.08575	0.5
121.06557	0.8
133.10141	1.3
134.54088	0.4
147.11639	0.4
161.09608	1.8
179.10689	0.8
237.14633	1.2
312.43188	0.4
399.19937	100.0
400.20401	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	399.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01854	6.5
55.05509	18.0
55.93297	3.6
56.96556	3.8
57.03414	7.5
57.07072	6.4
67.05509	23.5
68.99773	3.7
69.03432	23.5
69.07069	28.9
70.01055	16.0
71.04995	4.0
71.08617	6.2
73.02908	3.9
79.05504	27.2
81.03418	23.3
81.07063	100.0
83.04975	9.7
83.08602	4.0
85.02913	30.0
87.00831	19.6
91.05493	29.4
93.07051	44.4
95.04971	14.1
95.08045	5.4
95.08607	62.4
97.02888	13.8
97.06551	7.0
98.20739	5.3
98.97565	4.6
99.04486	5.5
101.06046	5.6
102.68748	3.2
103.03938	6.4
103.05472	3.6
105.01842	5.2
105.07042	43.3
107.04982	6.8
107.08598	36.8
109.02879	8.2
109.06512	8.8
109.10155	23.6
111.04456	11.5
111.08046	5.6
111.11696	7.5
112.11300	5.3
114.20975	3.2
115.03980	5.3
117.06965	4.7
119.08562	25.2
121.06501	31.0
121.10138	21.6
123.04438	12.8
123.08012	4.6
123.11731	5.8
125.05996	4.1
125.09559	3.6
127.03917	11.0
128.06213	8.0
129.01817	6.3
129.05449	5.5
129.07008	11.6
131.08600	17.4
133.10127	20.9
135.08075	4.2
135.10789	4.2
135.11674	19.1
137.13275	28.0
141.05498	3.7
143.08560	13.4
145.06453	4.0
145.10106	18.4
147.02902	4.1
147.06522	4.4
147.07997	5.7
147.11688	9.7
149.05952	6.8
149.09596	4.3
149.13312	22.1
155.08554	6.4
157.10112	9.8
159.02907	5.4
159.11696	8.2
161.09625	6.9
161.13232	13.5
163.14810	12.4
165.09146	4.1
167.07069	7.2
167.08435	3.6
169.10170	10.2
171.11745	10.0
173.09660	4.0
173.13274	17.3
175.14813	22.5
177.12743	6.9
179.14366	4.4
181.10153	5.0
185.09593	8.5
185.13220	6.7
187.11037	4.0
187.14838	6.6
189.03954	10.0
191.14333	6.5
193.15878	6.4
195.10098	3.3
197.09613	5.5
199.11118	4.1
203.10648	4.4
203.14363	3.6
205.15878	5.4
213.16383	5.9
217.15836	5.7
223.14796	5.6
241.15845	14.5
259.16956	20.0
277.17947	9.4
363.17780	3.7
399.20105	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	399.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44576	0.8
53.03937	0.9
55.01863	1.2
55.05513	13.0
56.96552	0.9
57.07078	6.4
57.94954	0.8
59.05006	1.5
65.03928	1.2
67.05179	1.3
67.05511	20.1
69.03009	0.7
69.06731	1.2
69.07074	17.1
69.28302	0.8
71.08615	1.7
71.58244	0.9
71.58630	0.9
71.80165	0.9
77.03918	0.8
79.05495	12.5
81.07061	46.9
83.04973	3.6
83.08624	7.8
85.06545	4.6
91.05481	9.4
93.07050	39.3
95.04981	1.6
95.08611	100.0
96.08947	0.9
97.02930	0.9
97.06535	2.5
97.10165	4.2
98.97577	1.5
99.04453	2.7
101.06038	8.1
105.07027	19.2
107.08601	53.4
109.06490	2.2
109.10165	33.0
111.04411	1.0
111.11710	1.6
115.07511	0.8
117.07011	2.1
119.06087	0.9
119.07792	1.6
119.08586	21.2
121.06523	2.7
121.10149	39.8
122.63053	0.8
123.08061	1.1
123.11707	12.8
127.07571	0.9
128.98633	0.8
129.05406	0.8
129.55896	0.7
131.08577	6.1
133.10139	23.3
134.10526	0.9
135.08054	7.2
135.11699	52.0
137.13237	6.2
139.07536	1.6
143.08493	1.4
145.10146	5.7
147.11693	24.8
149.09628	2.5
149.13275	35.0
150.13741	0.8
151.11188	1.7
151.14827	1.4
153.09152	4.4
157.10146	1.0
159.11708	8.7
160.12413	1.0
161.13277	11.9
163.11189	2.3
163.14848	7.9
165.09134	0.9
165.12805	1.7
167.10683	2.5
171.11729	1.0
173.13271	9.6
175.14868	7.5
177.12764	10.9
177.16415	3.3
179.10744	1.2
181.12218	3.3
183.11845	0.8
187.14845	2.3
189.12694	1.7
189.16374	8.7
191.10631	1.2
191.14351	12.0
191.17953	83.2
192.18343	2.0
193.12154	1.5
195.13823	16.0
199.14825	1.3
201.12814	0.9
201.16333	2.8
203.17975	15.7
205.19531	7.0
207.13771	6.3
209.15376	33.0
211.14833	1.2
217.19516	11.5
221.15411	2.0
223.16876	1.2
223.97928	0.8
231.21071	2.8
235.16977	2.0
237.18347	1.1
243.21112	1.4
247.16914	2.2
249.18523	1.7
257.22687	2.2
261.18530	4.2
263.20096	1.5
275.20020	1.1
289.21716	1.1
303.23444	0.9
329.24826	1.3
343.26123	1.7
381.31772	1.9
399.32587	54.6
400.32736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.1
55.98655	1.6
56.41651	1.5
56.96560	2.9
57.07054	7.8
65.03938	2.4
67.05500	17.4
69.03414	2.5
69.07068	20.1
71.04981	2.0
71.08617	4.1
79.05496	11.7
81.07062	52.6
83.04968	4.0
83.08604	6.1
85.06511	3.8
91.05485	11.0
93.07050	45.1
95.04971	2.6
95.08610	100.0
97.06498	3.0
97.10136	4.9
98.20757	5.3
98.97565	4.1
99.04453	3.0
101.06008	7.7
105.07037	20.9
107.08597	57.3
109.06512	3.0
109.10156	37.4
111.04414	3.2
111.08084	1.9
117.07040	1.8
119.08588	23.1
121.06477	3.7
121.10142	47.8
123.11707	10.4
124.71678	1.6
129.05473	2.9
131.08542	6.8
133.10147	21.1
135.08109	8.1
135.11700	47.8
137.05994	2.1
137.13248	7.1
143.08525	2.1
145.10089	6.7
147.11694	23.5
149.09665	5.1
149.12190	3.0
149.13272	39.6
153.09148	3.0
159.11723	9.3
161.13260	9.5
163.11188	4.2
163.14864	8.9
173.13249	8.8
175.14786	4.2
177.12828	10.3
177.16437	2.9
181.12227	3.2
187.14760	2.3
189.12778	3.0
189.16396	10.4
191.14378	13.5
191.17949	85.5
195.13829	18.9
199.14865	2.5
201.16370	4.0
203.17957	15.8
205.19504	6.5
207.13882	8.2
209.15363	37.3
217.19489	14.4
229.19756	2.3
231.21042	3.1
247.16801	3.3
257.22678	3.2
263.20099	3.0
307.78619	1.7
343.25925	1.7
381.31479	2.1
399.32645	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20656	1.2
53.46878	1.2
53.80745	1.1
55.05300	1.2
55.05509	14.0
57.07057	4.8
61.44775	1.3
65.03914	1.7
67.05510	20.3
69.07070	19.6
70.86384	2.7
71.04993	1.4
79.05492	13.5
81.06584	2.5
81.07059	50.1
83.04985	2.9
83.08626	8.0
85.06532	3.4
91.05482	8.5
93.07046	39.1
95.08607	97.7
97.06517	1.7
97.10162	3.5
99.04435	3.5
101.06026	6.3
105.07037	22.4
107.08595	57.2
109.06479	1.8
109.10150	39.7
116.78957	1.7
117.07064	1.6
119.07713	1.6
119.08582	31.2
121.06494	2.7
121.10148	52.0
121.11034	2.4
123.08083	1.6
123.11712	12.6
131.08572	5.2
133.09167	0.9
133.10132	24.7
135.08032	6.0
135.11693	54.6
137.09569	1.7
137.13263	6.8
139.07472	1.6
143.08528	1.6
145.10121	4.6
147.11693	24.6
149.09610	2.8
149.13266	33.2
151.11186	2.9
153.09093	3.5
159.11687	9.5
161.09700	1.6
161.13260	13.3
163.11148	1.4
163.14832	15.4
165.12753	2.5
167.10689	4.0
173.13258	7.6
175.11188	1.8
175.14804	6.7
177.12773	10.1
177.16396	4.3
181.12198	5.3
187.14818	2.3
189.16394	11.6
191.14375	9.7
191.17947	100.0
193.12172	2.0
195.13794	21.0
201.16400	4.3
203.17969	20.1
205.19531	6.7
207.13809	9.3
209.15369	31.1
215.18073	1.5
217.19490	16.7
229.19501	2.2
231.21060	3.7
235.17009	3.0
243.21077	2.2
247.16974	1.6
257.22794	7.1
259.75342	1.3
261.18585	3.0
263.19800	1.5
275.20172	2.5
289.52237	1.4
329.24844	1.8
336.61798	1.5
381.31299	3.9
399.27393	4.3
399.32538	64.6
400.32996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.6
57.03432	4.1
57.07075	4.3
67.05507	71.2
69.07069	25.3
70.03451	1.9
70.84782	5.2
71.04988	8.7
71.08638	2.7
77.80270	2.2
79.05492	26.2
81.07063	100.0
83.04986	4.2
83.08633	15.2
85.06546	6.3
85.10173	2.1
87.04469	3.2
89.05563	1.7
91.05493	13.8
93.07053	33.6
95.08614	84.2
97.06532	8.7
97.10157	8.9
99.08074	3.4
105.07054	12.2
107.08592	22.9
109.06505	3.0
109.09448	3.9
109.10163	48.6
111.08041	2.6
114.11520	1.8
117.07021	4.8
119.08591	14.4
121.06492	2.2
121.10146	22.5
122.62875	1.9
123.08083	2.0
123.11719	19.0
125.09612	3.3
131.08580	8.5
133.10167	12.2
135.08092	1.9
135.11697	20.7
137.09682	2.5
137.13255	6.8
139.11209	3.6
145.10121	8.6
147.11682	12.6
149.09644	3.2
149.13261	6.0
151.11238	2.8
151.14830	5.1
155.10669	2.0
159.11688	6.0
161.13257	13.8
163.14839	5.2
165.12749	6.0
173.11775	6.8
173.13313	4.8
175.14783	3.9
177.12698	2.7
179.14255	4.9
181.12276	2.1
187.14813	2.9
191.14310	2.8
195.13774	3.5
201.16394	2.7
209.15459	3.4
243.21120	11.3
261.22150	26.7
279.23215	90.2
297.24335	9.5
316.91937	1.9
369.31314	2.1
381.33777	2.2
399.30942	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	400.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46228	1.0
53.03941	2.1
56.96569	8.0
57.03440	23.6
59.05003	2.0
61.02930	9.9
65.03948	1.0
69.03436	37.6
69.03818	2.2
70.06596	2.8
70.70564	2.3
70.70911	1.7
71.04999	16.3
72.08157	1.9
73.02921	36.9
79.05502	1.7
81.03414	5.5
83.04973	1.6
84.08145	1.2
84.96049	1.8
85.02913	55.7
85.06541	3.1
87.04459	14.7
89.03922	3.1
89.06037	100.0
91.03962	2.3
91.05490	1.7
97.02898	40.6
98.97594	20.2
99.04456	3.9
107.04966	2.6
109.02897	4.2
110.97568	7.3
112.99094	1.8
115.03942	39.1
115.05492	1.2
116.98618	6.5
117.03396	2.4
119.04977	3.2
120.08123	1.1
121.02882	1.6
121.06541	1.2
124.03821	1.0
127.03922	10.5
128.98613	6.1
129.05534	1.6
131.00235	2.3
133.04973	25.9
134.99718	2.0
135.04430	4.8
136.06197	25.1
137.05978	3.2
143.00188	1.6
145.02885	2.3
145.04965	15.4
146.99654	3.1
147.04399	2.3
150.07573	1.8
155.04594	1.2
155.07047	1.8
158.99686	3.6
161.01219	1.9
163.03909	19.8
163.06000	5.5
164.04227	1.2
165.05626	1.6
167.07068	3.2
170.99718	2.1
175.04115	1.3
175.28212	1.1
177.00685	1.5
181.04956	1.5
181.98877	1.6
185.08098	4.4
189.00690	1.3
189.04272	1.2
199.99896	1.6
201.00705	1.7
203.03812	2.3
203.09187	3.6
207.06462	1.1
211.05684	1.1
212.06200	3.7
215.09119	1.9
219.01765	12.0
219.03395	1.1
220.11972	1.2
223.06099	2.0
229.74580	1.1
237.02815	16.9
238.12904	10.2
241.07037	3.7
249.06104	1.2
251.11371	4.0
252.05600	1.3
259.08286	3.0
268.10428	3.7
295.10364	3.9
309.08731	2.0
341.05441	2.9
359.06403	7.4
400.12943	19.0
400.18195	6.0
401.07382	6.7
401.13824	1.3
423.11401	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01882	0.6
55.05514	3.5
57.03422	1.4
61.02931	2.1
69.03082	0.5
69.03432	6.5
69.29884	3.3
70.06586	1.2
71.04971	0.6
71.07377	0.9
72.08154	3.1
73.02901	1.1
73.06560	2.6
79.05485	1.2
81.03432	2.6
82.06569	0.9
83.45899	0.5
84.04498	0.6
84.08154	0.6
84.55905	0.4
85.02907	13.0
85.06545	0.5
85.73549	0.4
86.06074	0.5
87.04471	1.3
89.03905	1.1
91.03952	1.0
91.05475	2.2
93.07047	0.6
96.08076	0.3
97.02896	5.7
98.21465	0.7
98.97572	0.6
99.04449	0.6
101.05945	0.3
103.05464	4.4
105.07027	3.7
107.04951	1.7
109.02883	1.7
117.03380	0.8
117.07014	3.8
118.06509	1.0
119.04939	0.3
119.07325	0.6
120.08111	36.6
127.03945	2.6
129.06996	1.6
131.04922	3.4
132.05234	0.5
132.08147	0.5
132.90863	0.4
135.04401	1.0
137.05980	1.2
139.11125	0.4
142.07755	0.7
145.02817	0.8
145.04971	2.0
147.04398	0.7
149.05994	0.9
151.03896	0.5
157.10143	0.6
163.03917	6.0
163.07462	0.4
164.04288	0.9
164.07910	0.8
165.05486	0.6
166.08665	3.8
174.12793	38.4
175.03946	0.5
181.04974	1.5
192.13837	29.6
207.06471	0.5
208.06911	1.0
219.01843	0.5
220.13339	13.8
221.11882	0.4
237.02786	0.4
238.14389	100.0
239.14746	1.4
245.11292	0.4
308.10397	0.4
400.12457	2.9
400.15988	3.4
400.19751	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	400.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41682	0.8
53.03948	1.2
55.01872	2.0
57.03444	28.0
59.05009	1.3
61.02929	12.4
63.77158	1.0
69.03076	2.1
69.03436	36.3
69.03815	2.0
70.06606	2.5
71.01364	2.9
71.04988	2.2
73.02925	58.1
81.03426	5.9
84.08157	1.4
84.92638	1.0
85.02911	100.0
86.19427	0.9
87.04469	7.4
91.03954	3.7
91.05470	2.3
92.75469	1.0
97.02902	49.7
98.20762	1.8
99.04456	3.3
103.03899	1.5
109.02900	8.0
110.07161	1.1
115.03934	38.0
119.04932	1.9
121.06535	2.8
127.03930	30.9
132.06587	1.3
133.04974	17.8
139.96609	1.0
145.04974	63.8
147.04449	3.0
150.07643	3.7
163.06030	33.7
164.07039	1.0
208.09679	2.2
223.06052	3.5
241.07112	4.0
251.14868	7.9
254.15082	1.9
259.08145	5.6
295.10281	5.0
400.13049	2.3
400.17844	2.2
401.11807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.05502	1.2
56.96300	1.8
56.96566	20.7
57.03420	2.8
61.02927	2.2
62.42875	0.9
69.03433	8.6
69.30959	1.0
70.06590	2.7
71.04980	4.4
71.57347	1.3
71.95256	1.6
72.08147	2.1
73.02921	2.6
79.05530	0.9
81.03403	1.5
83.04967	1.1
83.08621	1.1
84.08112	1.7
84.96027	6.7
85.02432	1.2
85.02905	12.7
85.03381	1.5
85.06529	1.4
86.03224	1.8
86.09713	2.2
87.04496	1.6
89.03917	2.7
89.06012	4.9
90.06363	1.7
91.05474	1.6
97.02899	7.9
98.03191	1.6
98.97593	72.2
107.04977	1.8
109.02883	1.2
110.96828	2.2
110.97577	35.1
111.04387	1.0
112.99156	5.2
115.03936	2.2
116.04263	1.1
116.07076	1.4
116.98630	23.1
117.03403	2.3
119.04967	1.4
121.06493	0.9
123.00768	1.2
123.04453	1.3
124.99154	1.9
127.03895	2.1
128.98616	29.8
129.05461	1.6
131.00136	4.0
133.04965	1.9
134.99623	4.7
135.04410	4.4
136.06143	1.9
137.05907	2.5
140.98621	2.8
143.00134	5.3
144.98077	1.0
145.02788	3.0
145.04967	2.1
146.99677	11.8
147.04422	1.6
149.01237	1.7
158.99661	7.6
161.01236	7.5
161.05952	1.0
162.99167	2.0
163.03908	20.7
163.97830	1.8
165.00676	1.2
165.05450	1.5
167.07082	2.4
170.99670	9.5
177.00705	5.7
177.05510	2.1
179.00175	1.9
180.35400	1.0
181.04980	11.0
181.98882	10.1
187.04419	2.0
189.00677	7.0
194.99489	1.2
197.01250	2.6
199.99921	11.4
201.00711	8.2
207.01741	1.6
207.92644	0.9
212.06325	2.0
213.00690	1.9
215.02202	3.0
218.01129	2.5
219.01772	68.6
228.06767	1.0
229.00233	3.4
233.24835	1.1
237.02832	100.0
239.02129	1.2
239.13150	1.4
242.03374	1.5
251.06679	4.0
255.03816	3.1
257.03363	2.6
259.99951	5.3
260.04401	2.4
261.02707	1.5
273.06482	1.7
275.02200	2.2
278.01047	5.6
279.03970	1.6
281.03357	1.3
284.58350	1.0
293.03333	4.0
297.06461	2.7
299.04160	1.4
305.06482	1.2
313.70636	1.3
323.04047	1.5
326.03116	6.4
341.01523	1.9
341.05411	20.0
341.08850	1.0
344.04135	1.9
355.07092	1.8
359.06528	44.8
373.08096	1.5
382.08136	2.0
383.09158	1.1
383.14273	1.3
384.12369	1.4
401.07486	41.1
401.13727	12.9
401.28607	2.9
402.13766	1.6
415.09488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
56.96559	4.4
67.05510	4.0
67.45580	2.2
70.88320	6.0
85.02912	2.6
85.65788	2.4
91.05479	12.6
93.07034	14.5
95.04983	5.6
95.08619	3.0
98.21140	2.4
103.05505	11.0
121.06512	100.0
122.06847	5.3
123.11780	2.4
144.98215	2.4
162.73154	2.6
172.11330	3.7
190.12357	3.0
193.01894	2.5
204.10242	5.2
206.11784	6.6
209.81035	2.8
213.83743	2.4
220.09639	2.8
225.00751	5.1
227.02269	5.0
230.88930	2.3
232.13222	4.1
267.10056	2.4
327.05414	3.9
345.06641	4.0
401.10071	15.2
401.17511	12.2
401.68350	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1216
Annotation	Thymusin 6-isobutyrate
Peak:m/z	Relative Intensity
57.03459	1.7
68.98560	1.2
69.03429	1.7
69.49088	8.3
83.25458	1.3
84.91199	3.3
85.02915	6.3
86.90921	1.7
97.02921	2.4
98.21481	2.5
98.97588	4.2
101.00896	2.1
116.98591	2.2
119.01914	3.8
137.06053	2.1
141.64914	1.4
143.01996	1.7
157.03459	1.6
161.02948	1.8
179.02335	2.1
215.04979	1.5
223.06671	4.7
239.04501	3.6
245.05185	4.2
265.07773	5.3
272.33774	1.4
293.07376	2.2
296.07654	1.9
299.02246	1.4
310.62646	1.5
341.09271	2.1
349.00500	1.4
383.10373	2.5
401.12213	100.0
402.12479	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1421
Annotation	URB447
Peak:m/z	Relative Intensity
61.79112	0.6
69.03428	0.8
69.84602	3.3
76.01254	0.6
79.05496	0.6
86.09663	0.6
90.73271	0.6
91.05479	0.8
97.02836	0.6
98.20896	1.5
98.21490	0.9
105.03304	0.6
107.04947	2.3
119.04951	1.0
133.86922	0.6
137.05960	1.0
143.04861	0.6
156.05768	0.7
159.08078	1.7
165.56760	0.7
167.07004	4.9
175.03905	0.9
185.04262	1.1
207.06558	1.8
208.05197	0.7
209.07037	1.2
217.08554	1.0
221.07954	1.2
229.08820	0.7
236.04704	1.0
239.06587	1.2
239.08904	17.2
247.07452	0.7
247.09657	1.9
248.08264	0.9
264.07910	0.7
265.08591	0.7
269.08148	1.2
282.08792	0.7
291.10059	0.8
307.09750	0.9
315.08575	4.2
315.38495	0.6
323.12708	0.8
330.11081	5.0
331.11658	1.0
337.10767	1.0
343.11917	1.2
351.12421	1.8
371.11679	0.8
383.13919	7.3
401.14166	100.0
402.14780	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
54.59598	0.8
57.04038	0.8
58.37849	0.9
64.94415	0.9
69.92553	4.6
77.96867	0.8
78.04726	1.9
79.05507	10.6
81.07088	1.0
85.45208	0.9
91.04971	0.9
91.05484	4.7
102.89201	0.9
103.05495	1.4
105.07015	1.2
106.04179	1.2
107.04960	26.1
108.92043	1.0
109.06488	1.2
115.05489	3.0
117.07009	2.9
122.03590	0.9
123.04436	4.4
124.05265	6.2
125.05981	1.8
128.06224	2.8
129.07014	5.4
131.08571	6.5
132.05733	1.5
137.06003	1.6
141.06996	2.9
144.05688	5.0
145.06512	2.5
147.04388	1.1
151.03981	1.4
152.04697	2.7
152.06241	0.9
153.05444	1.2
155.06104	1.2
156.05724	12.5
157.06516	3.8
158.07281	1.2
159.08055	11.6
161.05975	2.2
163.03888	2.9
163.07631	0.9
165.07094	1.6
167.07060	81.2
169.06490	2.2
172.05263	1.9
173.05978	2.4
174.06772	1.4
177.05531	1.9
179.07033	1.2
181.04903	1.6
181.06389	1.3
181.08618	1.7
183.06532	1.3
183.08105	1.0
184.05231	3.3
186.06810	2.0
187.07574	8.6
190.06270	1.8
190.07814	1.3
191.07060	2.1
191.08597	3.4
193.06450	1.2
193.08614	2.1
195.06563	2.3
201.09149	1.5
202.06194	4.5
202.07843	2.6
203.08606	3.5
204.07892	2.1
205.06639	1.7
205.08588	15.3
207.06566	5.3
207.08173	1.1
208.05209	22.6
208.08771	1.9
209.08047	1.6
210.06837	2.2
215.06924	1.7
217.08609	32.8
217.10649	1.8
218.07268	4.0
219.08076	11.4
219.10202	5.3
220.08859	3.2
221.06126	4.9
221.09671	1.7
224.04756	1.3
225.05476	1.7
226.06229	2.0
227.07013	1.9
229.08617	5.6
230.07358	1.7
231.08060	8.5
231.10214	1.9
232.08957	1.8
233.06102	1.6
233.09702	4.7
234.06865	2.2
235.07535	2.2
236.04694	9.6
236.08377	2.9
237.09142	1.7
238.06383	1.7
239.07005	2.3
240.04196	2.2
241.04935	1.7
241.08604	2.1
245.09627	2.9
246.06778	2.3
247.07527	11.3
247.09721	16.3
248.08401	8.6
249.05531	2.6
249.09143	3.1
250.06238	1.3
251.10722	2.6
254.05789	10.5
255.06462	1.9
256.07169	1.2
257.04468	1.8
258.06857	1.4
259.07449	2.1
260.08295	1.9
261.09125	2.5
262.06555	1.4
262.09879	3.2
263.07150	3.1
263.10727	9.5
264.04526	1.4
264.07880	6.4
265.08627	5.6
266.05780	2.2
267.06580	5.0
267.09125	0.9
268.03738	2.3
269.04880	1.6
269.08075	25.0
271.06067	2.0
271.09665	7.1
272.06775	6.2
274.06317	1.8
275.07135	5.2
275.09875	1.2
276.07761	7.3
277.08722	5.7
278.05872	1.5
278.09583	1.2
279.10153	7.8
280.10733	2.4
281.08160	2.7
282.05301	4.0
282.08887	13.1
284.06888	1.2
285.07684	1.7
287.09186	2.6
289.08649	3.4
290.09329	4.4
291.06851	1.5
291.10110	16.2
292.07245	3.0
292.10901	1.4
293.08130	7.4
294.08978	1.6
295.09885	1.5
296.10376	1.5
297.07477	1.2
297.11102	1.0
299.09192	2.5
300.06348	3.0
301.07108	3.7
304.07336	1.3
305.08173	2.3
306.08685	1.7
307.09668	9.9
308.10370	5.8
309.07922	1.8
309.11121	2.2
310.08453	7.4
311.12738	2.3
315.08640	89.8
316.09302	2.6
318.09036	2.2
319.09683	6.9
320.10370	2.0
321.07623	4.1
321.11176	1.9
322.08398	1.3
322.11850	1.3
323.09055	2.2
323.12766	13.3
324.09784	1.8
325.10779	2.0
328.09607	5.1
330.11011	100.0
331.11658	11.1
336.09958	5.2
337.10678	5.1
338.07730	1.5
339.12317	9.8
340.13135	1.4
341.10226	1.5
341.13980	1.5
343.11768	20.1
350.11722	1.8
351.12268	22.0
352.12973	4.0
353.10236	5.9
356.12509	2.7
368.12592	6.3
369.13373	3.2
371.15005	4.9
383.14914	64.5
401.16046	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
59.88535	1.0
69.03409	1.2
69.07045	1.5
69.26427	11.3
76.09873	1.1
78.04722	1.9
79.05497	13.3
81.03406	1.3
81.07047	1.8
82.66851	1.0
85.02924	1.3
85.06534	1.8
91.05489	6.6
91.05936	1.1
93.07058	1.3
94.33990	1.2
95.04958	3.2
98.20763	2.3
103.05446	2.0
105.07061	1.8
106.04169	1.5
107.04295	2.0
107.04965	26.5
107.08545	1.4
115.05437	3.2
116.06242	2.0
117.07056	2.8
121.06526	2.3
123.04464	3.4
124.05200	5.0
125.06020	2.5
128.06218	2.6
129.07019	6.8
131.04941	1.6
131.08565	6.2
132.05728	1.4
133.02847	1.2
135.04507	1.5
137.05949	1.8
141.06964	5.1
144.05745	7.2
145.06483	5.2
147.04408	1.6
147.08031	1.5
151.07516	2.0
152.04698	2.8
153.05455	2.3
156.05687	13.2
157.06471	2.7
158.07327	2.4
159.08070	13.9
161.05963	2.7
163.03929	2.3
167.07053	80.5
168.05782	1.3
168.07353	1.5
169.06422	1.9
169.07661	1.2
172.05038	1.7
173.05992	5.4
174.06747	1.1
177.05499	1.9
179.06970	1.7
179.08585	1.5
181.05026	1.5
182.07220	2.0
184.05177	4.1
185.05972	1.5
186.06744	2.3
187.07594	8.5
189.23326	1.3
190.06268	1.3
190.07881	1.8
191.06961	2.2
191.08565	2.6
193.08614	1.7
195.06500	2.9
198.06764	1.1
201.09184	2.0
202.06229	5.3
202.07735	2.0
203.08571	3.1
205.06714	2.1
205.08603	14.3
206.07257	1.5
207.06519	4.7
207.08264	1.6
208.05180	25.2
208.08701	2.3
209.06088	1.3
209.07974	1.5
210.06764	1.4
211.07541	2.8
215.06859	1.6
215.08694	1.8
217.06538	1.9
217.08601	33.1
218.07249	5.0
219.08028	10.6
219.10158	5.4
220.08864	3.0
221.05948	5.0
221.09698	2.2
225.05412	2.0
226.06059	1.5
227.06902	1.9
229.08725	5.4
230.07097	1.4
231.07996	6.4
231.10146	3.0
232.08920	1.7
233.05945	1.8
233.09601	4.8
235.07428	3.3
236.04675	8.8
236.08391	3.1
237.09148	1.9
238.06148	2.3
239.06898	2.9
240.04253	2.2
245.09706	2.8
246.06813	1.8
247.07472	14.2
247.09685	20.6
248.08350	11.9
249.05460	2.6
249.09146	4.3
250.06242	2.0
251.06931	1.9
251.10612	2.5
254.05785	11.8
255.06400	1.6
256.07263	2.4
257.04379	2.3
259.07520	3.4
260.08408	2.4
261.05487	1.8
261.09076	3.7
262.06390	1.4
262.09860	3.6
263.07098	4.3
263.10635	9.0
264.04190	1.4
264.07797	8.6
265.08575	4.3
267.06479	8.2
268.03647	2.6
269.08112	28.0
271.05811	2.3
271.09686	6.2
272.06870	5.6
274.06232	2.2
275.06989	7.9
276.07941	7.3
277.08511	4.7
278.05801	2.3
278.09299	2.3
279.06577	1.7
279.10138	8.3
280.10883	2.3
281.08200	2.8
282.05313	3.7
282.08832	13.3
283.06055	1.6
287.09076	3.6
290.09338	3.4
291.06931	2.3
291.10159	14.4
292.07217	4.2
292.10571	1.3
293.08072	8.8
293.11252	1.7
296.10410	1.9
297.07520	1.4
299.09076	4.2
300.06268	3.7
301.07114	4.1
304.06949	1.6
305.08087	3.6
307.09604	10.3
308.10284	6.8
309.07416	2.3
310.08432	8.8
311.09360	1.5
311.12863	3.9
315.08636	93.6
316.09207	2.0
319.09705	8.7
320.10605	2.0
321.07559	3.0
321.11224	2.8
322.11911	1.6
323.09198	2.0
323.12729	13.3
324.09854	2.0
325.10751	1.8
328.09311	7.5
330.10983	100.0
331.11664	11.8
335.09055	2.1
336.09906	6.6
337.10733	8.9
339.12222	10.6
340.12775	1.7
341.10193	2.1
341.13919	1.4
343.11783	21.6
351.12277	26.6
352.13019	3.6
353.10303	7.2
356.12634	2.6
368.12540	9.2
369.13373	6.7
371.14874	6.3
383.14908	70.3
384.15479	1.8
401.12000	4.0
401.16406	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	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89368	1.2
53.03952	12.9
55.01875	9.0
55.05514	6.0
57.03434	5.0
58.86973	1.3
60.06987	1.2
65.03937	5.4
67.05508	15.9
69.03436	12.3
69.07075	17.8
71.04999	19.2
71.57383	2.0
75.58075	1.2
79.05495	18.2
81.03426	100.0
81.07066	33.6
82.13988	1.1
83.04990	12.8
83.08646	1.7
85.02940	1.8
85.06562	2.2
91.05484	9.5
93.03397	2.2
93.07050	70.5
95.04986	16.3
95.08614	10.3
97.06541	11.5
97.10185	1.3
99.04463	43.8
101.06012	1.9
105.07043	27.4
107.04966	2.4
107.08605	57.3
109.02859	1.8
109.06516	17.7
109.10155	1.8
111.04461	6.9
111.08096	11.7
111.11697	1.6
112.77999	1.2
113.06011	2.7
115.05383	1.4
117.07010	3.9
119.06020	1.3
119.08599	10.2
121.02903	1.7
121.06517	20.7
121.10153	46.1
123.08060	5.5
125.06026	2.0
127.07540	11.0
129.05431	2.7
129.07021	1.5
130.07838	2.1
131.08575	4.4
135.08093	8.3
135.11702	12.0
137.09602	1.6
139.03915	6.3
139.11195	4.1
145.10143	27.8
147.11691	8.2
149.06010	1.7
149.08549	0.7
149.09624	27.5
151.07555	4.0
157.04991	29.0
158.96931	1.3
163.11195	76.0
164.11594	1.5
167.07005	1.3
167.10696	35.8
169.08612	54.7
173.09624	7.0
181.12242	23.0
185.03409	1.4
185.11784	8.0
191.10687	55.3
209.11746	28.8
217.08636	1.4
222.07758	1.7
225.07805	1.8
227.12793	51.0
269.74341	1.1
323.14920	1.9
325.12842	1.8
330.11047	2.1
339.18201	1.4
341.15967	13.2
365.16019	6.2
382.12305	1.3
383.17221	14.4
401.18057	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	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.8
55.01874	12.2
55.05510	8.6
57.03432	7.2
65.03940	4.9
67.05230	1.7
67.05514	18.5
69.03420	14.3
69.07071	20.7
70.52895	5.8
71.04993	18.7
79.05495	24.8
81.03425	79.3
81.07062	39.8
83.04993	12.8
85.06535	5.8
91.05477	12.7
93.03384	3.9
93.06467	4.3
93.07048	66.1
95.04973	25.7
95.08613	11.7
96.92424	2.4
97.02882	2.6
97.06561	13.4
99.04459	38.8
105.07030	34.9
107.04986	2.4
107.08595	68.3
109.06509	21.9
111.04430	9.3
111.08112	12.1
111.11646	2.4
113.06022	3.7
117.06995	6.3
119.08602	15.6
121.02921	3.2
121.06508	24.6
121.10152	56.2
122.06821	2.8
123.08051	7.1
127.07566	16.4
129.05478	3.3
130.07803	3.7
131.08560	3.9
135.08063	10.9
135.11679	20.3
139.03856	6.4
139.07535	2.6
139.11182	3.5
145.10123	35.4
147.11707	9.4
149.09625	21.6
151.07527	5.1
157.04968	21.3
163.11192	100.0
167.07040	4.0
167.10687	45.0
169.08618	62.7
173.09641	8.8
181.12267	24.3
185.11736	10.6
191.10674	66.2
209.11748	34.0
211.60254	2.0
219.13893	2.3
227.12802	77.6
323.14847	3.7
330.11060	3.2
337.16290	3.7
339.18118	2.7
341.15994	22.8
365.15894	13.4
383.17224	22.8
401.18076	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	401.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
53.56733	1.4
55.01877	13.1
55.05510	11.4
57.03418	4.2
57.07081	71.3
67.05504	23.4
69.03439	22.3
69.07078	15.1
69.30173	1.7
69.57655	9.4
71.04994	12.3
71.08638	56.2
72.04526	1.9
73.02903	6.9
75.60167	1.8
78.45367	1.5
81.03426	28.5
81.07063	34.5
83.08153	1.9
83.08625	26.6
85.02908	8.0
85.10190	27.6
88.02225	3.6
93.07015	3.1
95.08614	51.8
97.02901	100.0
97.10180	10.3
99.04459	62.8
99.05106	3.3
99.11725	1.8
107.08610	1.9
109.02892	35.5
109.10165	26.0
111.11704	3.8
117.05462	1.7
123.11715	15.8
125.13277	4.4
127.03925	87.8
132.96231	1.7
134.63454	1.6
137.13261	8.7
139.04205	1.8
139.14914	1.7
145.04979	14.7
151.14842	2.5
221.22636	4.4
239.23708	98.1
257.24750	4.4
267.24786	1.6
275.01169	1.6
311.25793	1.9
327.60938	1.6
355.58286	1.7
383.27820	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	401.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.7
55.05516	17.8
57.03449	6.9
57.07078	100.0
67.05509	40.5
69.03438	59.6
69.07064	24.4
71.04993	6.5
71.08636	78.8
77.16559	3.2
79.05493	3.5
81.03422	69.5
81.07059	58.8
83.08628	33.9
85.02909	64.4
85.10188	41.0
91.05454	5.7
95.08605	74.7
97.02874	23.5
97.10170	18.1
98.21510	8.7
99.04447	9.5
99.11733	4.2
107.08585	3.4
109.02888	45.8
109.10165	38.3
111.11708	5.6
115.50235	3.4
122.25980	3.0
123.11702	17.9
125.13281	6.7
127.03937	58.5
137.13234	8.4
145.05006	6.8
151.14786	5.0
165.16472	3.4
187.44463	2.8
204.83870	3.3
221.22621	3.8
239.23698	49.0
257.24817	3.8
383.28085	28.6
401.26538	4.1
401.29889	3.5
401.34738	3.4
405.54568	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42260	2.1
53.03943	4.1
55.01865	4.6
55.05509	13.6
57.07081	59.7
67.05514	17.1
69.03438	11.3
69.07073	15.0
70.55645	4.9
70.56029	4.9
71.04987	5.1
71.06178	2.4
71.08284	3.4
71.08638	47.5
73.02943	2.3
79.05474	4.4
81.03437	14.7
81.07057	31.4
83.08628	25.4
84.08155	4.0
85.02919	3.3
85.10191	26.5
88.07641	5.2
91.05476	2.6
93.07043	7.4
95.08620	42.8
97.02903	75.7
97.10172	11.4
99.04465	23.3
105.07001	3.1
107.08606	3.9
109.02886	14.5
109.10172	25.8
111.11730	3.6
119.08596	5.7
121.10114	4.0
123.11708	11.0
125.13303	3.4
127.03929	32.1
128.26215	2.7
135.11711	3.9
137.13272	5.9
145.04979	6.7
147.11681	2.8
151.14859	3.2
157.15823	2.2
157.29236	2.7
161.13278	3.1
163.14902	2.7
215.02100	3.5
221.22569	4.2
227.43327	2.5
239.23721	100.0
243.32037	2.4
303.72424	2.5
335.25827	3.9
339.34473	4.2
377.14755	3.9
401.15149	5.0
401.28815	3.7
401.33835	7.2
401.38239	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	401.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.05508	17.0
57.03419	4.8
57.07084	18.0
63.62953	3.1
67.05502	26.5
69.07076	24.8
70.06581	5.2
71.04984	6.2
71.08620	10.5
71.48942	3.7
71.49271	3.2
79.05494	23.0
81.07053	58.7
83.08625	16.3
85.02898	4.0
85.06546	61.8
85.10220	3.6
88.07631	4.8
91.05508	17.3
93.07050	59.3
95.04935	3.2
95.08610	100.0
95.36325	2.8
97.02879	5.1
97.06509	5.2
97.10179	9.4
102.09181	4.4
105.07033	45.7
107.08597	86.4
109.06486	3.3
109.10162	50.7
111.08070	6.2
117.06990	3.5
119.08590	70.5
121.06525	20.0
121.10146	55.3
123.08076	4.3
123.11703	20.7
131.08559	8.4
133.10132	42.6
135.08028	3.5
135.11699	57.3
136.93144	11.6
137.13271	15.0
145.10107	13.8
147.11703	29.0
149.13261	32.3
151.11195	3.5
154.94157	16.7
159.11736	18.8
161.13264	46.4
163.11258	3.3
163.13565	4.9
163.14828	42.7
165.12752	4.8
172.95221	16.0
173.13268	9.6
175.14828	27.3
177.12735	5.3
177.16386	7.9
177.95699	3.0
179.14328	15.9
181.15819	3.5
185.13251	3.6
185.17108	2.8
187.14824	11.6
189.16408	33.2
190.96301	5.2
191.17949	34.7
193.15855	13.4
195.13795	7.5
195.96735	5.6
201.16368	7.8
203.17929	17.7
205.15860	5.8
205.19563	6.3
207.17441	40.4
211.82628	2.6
215.17952	8.2
217.19531	7.7
221.19125	3.2
223.63618	2.7
228.97916	10.5
231.20920	3.6
233.18877	4.4
246.98914	6.5
253.07419	4.8
313.27567	6.2
320.97009	3.2
325.47870	2.8
339.34451	4.1
340.35760	4.0
365.32019	7.4
383.33130	38.7
401.28726	4.4
401.33707	31.3
401.38965	12.7
402.39499	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	402.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01858	0.5
60.48623	0.4
69.03426	1.6
69.81466	0.6
69.81744	2.0
70.06605	0.6
71.04989	0.4
73.02917	0.5
75.47928	0.4
78.38548	0.4
81.03441	0.6
81.07072	0.5
84.04492	0.4
85.02901	1.0
86.09683	0.6
87.00830	1.7
87.17342	0.4
91.05472	3.7
93.07054	5.8
95.04967	1.2
97.02279	0.7
97.02896	10.7
98.97602	0.5
101.02373	0.7
103.05482	3.9
105.01859	0.8
105.04549	0.4
107.04932	0.5
115.03914	0.6
118.45658	0.4
121.06511	100.0
122.06834	0.7
125.02364	3.9
127.03902	0.6
143.03412	2.6
144.06618	0.7
145.06488	0.6
149.05983	3.1
149.38243	0.4
151.03963	0.7
160.44063	0.4
161.04424	0.5
163.03918	0.8
163.07568	0.7
166.30725	0.4
178.08659	1.7
191.07016	0.4
201.03940	0.6
203.07182	0.5
208.09669	0.5
217.08656	0.5
222.07610	0.5
229.03479	1.2
240.64021	0.4
241.07465	0.6
241.40573	0.4
247.04556	1.8
402.14261	1.4
403.12848	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
62.74474	0.3
67.82924	0.3
70.03441	1.4
91.05486	2.8
92.04985	0.4
93.07053	5.2
95.04959	0.9
103.05463	3.3
105.04512	0.3
112.88383	0.3
120.04474	1.2
121.06512	39.7
137.05949	0.3
138.05484	0.3
148.03873	1.5
151.06271	2.8
152.07083	4.3
166.05006	9.9
178.26627	0.3
180.06564	100.0
181.05026	0.6
181.06874	1.1
182.71936	0.3
183.56877	0.3
208.06062	2.8
222.07623	60.2
223.07928	0.8
286.10635	0.9
304.13284	0.3
328.11841	9.3
402.15384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
65.03928	0.6
65.52857	0.3
67.05489	0.4
69.77012	2.2
79.05531	0.5
91.05481	3.8
92.05014	1.2
93.07054	3.8
95.04973	0.7
98.21465	0.4
99.78915	0.4
103.05498	2.5
107.04929	0.4
107.07317	0.8
119.04977	0.8
120.04478	1.4
121.06507	33.6
124.71657	0.4
131.08540	0.3
137.05962	3.2
138.06322	1.0
142.30042	0.3
148.03935	1.6
149.02391	0.6
151.06303	2.4
152.07062	4.2
166.04996	9.2
167.07056	1.2
177.05522	0.5
178.05057	0.7
180.06558	100.0
181.06895	1.0
208.06068	3.8
222.07614	62.4
223.07979	0.9
224.05516	1.0
286.10791	0.9
328.11810	10.2
402.11670	2.9
402.27078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
57.57832	0.3
69.68416	0.3
70.89708	0.9
78.14272	0.3
91.05501	3.5
92.05009	0.8
93.07044	4.6
95.04984	0.6
97.06559	0.4
103.05479	3.4
104.05667	0.4
105.04504	0.3
112.70062	0.3
120.04459	1.6
121.06516	37.5
122.06868	1.0
137.04576	0.4
148.03906	1.5
151.06287	2.9
152.07062	5.3
154.88503	0.3
164.07117	0.5
166.05013	10.3
166.06441	0.6
180.06567	100.0
181.05119	0.5
181.06908	0.8
194.08089	0.7
204.06512	0.4
208.06041	3.1
222.07631	63.8
223.07932	0.6
236.09224	0.9
238.10846	0.4
286.10739	1.1
328.11829	10.3
401.68890	0.4
402.11984	1.7
402.15720	2.0
403.13638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57972	0.9
53.03940	2.2
71.56429	1.3
73.65754	0.7
75.71958	0.9
77.03936	1.7
91.05483	13.9
93.07049	13.3
95.04967	18.0
101.68154	0.7
103.05471	12.4
105.04527	1.9
106.60263	0.9
107.08654	1.0
118.06532	2.1
119.04951	34.1
120.08136	1.0
121.06512	48.0
123.04435	53.7
137.06003	1.3
144.08063	1.1
146.06021	6.9
146.09680	3.0
147.04422	21.9
148.07707	1.1
163.41490	0.8
164.07072	81.1
165.05495	20.1
165.07025	0.9
165.07628	1.7
172.07570	6.6
174.09145	9.6
178.05194	0.8
178.08670	5.3
190.08662	6.0
191.14337	1.8
196.09683	2.4
200.07149	2.9
204.06859	0.7
204.08362	0.9
204.10216	16.7
206.11778	57.3
209.15399	2.5
211.37546	0.9
212.83745	0.9
218.08192	4.7
222.07648	2.0
232.09714	11.1
238.14406	3.7
250.10762	57.7
251.11160	1.0
264.12350	3.0
265.80884	0.8
282.13400	2.2
328.11813	100.0
329.12234	2.5
360.14648	2.2
370.16574	2.7
402.19193	87.9
403.19211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.89437	0.3
59.65607	0.3
64.97282	0.2
67.69394	0.2
69.41800	0.7
69.42221	1.3
91.05482	2.1
93.07059	2.2
95.04964	0.7
103.05491	1.7
106.06581	0.4
117.05795	0.6
118.06535	0.9
121.06518	18.3
122.06831	1.5
125.27155	0.3
144.96172	0.3
145.04233	0.3
146.05974	0.3
164.07106	1.7
176.07088	0.3
177.07846	4.3
178.08699	0.9
180.06538	1.0
190.48692	0.3
192.06685	0.2
204.06567	1.4
204.10193	0.3
208.06071	10.2
222.07625	100.0
223.08018	1.1
223.23941	0.3
224.09134	0.7
232.13341	0.3
282.09564	0.3
325.13943	0.3
328.11829	7.9
328.15036	0.3
334.73611	0.3
360.14429	0.3
382.19376	0.3
401.68387	0.9
402.19092	0.7
403.13538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81746	0.6
53.03939	0.9
53.43874	0.6
57.13437	0.5
61.84369	0.6
64.97226	0.6
69.53019	2.7
69.53429	1.4
81.71776	0.6
91.05486	3.0
93.07040	5.0
103.05489	3.2
103.06638	0.6
112.60751	0.6
120.04495	1.3
121.06515	38.7
148.03960	1.1
151.06293	2.5
152.07086	3.6
162.92633	0.5
164.07103	0.7
164.53236	0.6
166.05009	8.4
173.11844	0.6
177.07849	2.1
180.06566	82.3
181.06906	0.8
204.06592	0.8
208.06050	6.8
219.47182	0.6
222.07628	100.0
223.07951	1.5
286.10779	1.6
328.11835	13.0
402.15463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28446	1.8
56.96563	4.7
57.03445	18.9
59.04987	7.9
61.02931	3.5
69.03094	4.2
69.03435	62.4
70.06586	3.1
70.98700	5.1
71.05003	4.0
71.28818	2.1
72.08151	3.5
73.02901	6.9
73.06558	100.0
75.04475	2.0
81.03405	4.7
83.04942	2.7
85.02905	64.7
87.04002	2.9
87.04481	43.5
91.07595	18.9
97.02896	62.0
97.03523	3.9
98.97601	8.9
99.04447	3.1
105.07008	1.9
109.02856	2.5
111.04414	2.4
115.03931	86.9
116.98611	2.6
117.03368	2.3
119.04964	2.7
127.03944	12.6
128.98534	2.5
131.04880	2.2
133.04971	75.0
135.04433	2.6
137.05956	5.3
139.32178	1.8
145.02902	2.1
145.04979	11.1
147.04428	3.5
150.07588	2.4
163.03914	7.4
163.05989	3.2
169.04979	1.9
182.05234	2.0
182.99693	2.4
219.01701	3.1
223.11844	3.9
237.02711	2.8
239.18044	2.0
241.07208	2.2
253.12766	10.4
259.08176	5.3
295.10193	3.1
354.70987	2.2
402.13498	4.4
403.15863	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	402.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20778	4.4
50.21550	4.2
53.03952	12.6
55.01873	9.4
55.05513	35.5
57.03443	26.0
57.07070	4.6
60.33144	4.3
63.85316	4.5
67.05513	99.3
69.03429	9.6
69.07071	63.3
69.73123	8.6
69.73535	18.7
71.04996	11.6
77.03961	3.8
79.05502	75.8
81.03404	7.2
81.07069	99.7
82.38751	4.3
83.04985	15.4
83.08628	18.2
85.02906	4.7
85.06570	6.5
91.05498	65.3
93.07057	100.0
95.04979	17.1
95.08618	53.5
97.06528	21.7
97.10191	12.0
98.21403	6.5
98.97618	7.0
99.08128	10.7
103.05476	16.0
105.07037	46.4
107.04980	9.7
107.08609	55.3
109.06518	4.6
109.10183	24.5
111.08076	8.7
117.07019	22.2
119.08584	35.1
121.06517	93.6
121.10139	31.9
122.06872	17.3
125.09624	9.0
125.83244	4.0
129.07007	5.5
131.08582	25.3
133.10147	36.1
135.08020	6.7
135.11685	35.8
143.08607	7.8
145.10153	26.2
147.11702	19.9
149.09615	18.0
149.13266	31.7
159.00636	5.2
159.11708	29.1
161.13330	7.3
163.11220	16.0
164.07056	5.3
171.11653	5.2
172.11401	5.5
173.13251	9.9
177.12772	17.1
179.14360	6.0
180.06587	5.6
181.12274	5.5
189.11275	4.1
195.13885	11.6
222.07631	15.7
222.11264	8.8
227.12883	8.1
229.14322	5.5
229.19484	5.8
239.17984	8.2
242.50461	6.0
247.20547	6.8
255.15939	60.2
257.19031	16.9
269.17499	91.8
275.20047	44.1
349.23776	51.2
352.18353	4.4
367.24808	8.0
384.27014	4.2
392.61731	4.2
401.68698	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	402.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.8
55.01877	10.7
55.05510	35.9
57.03438	19.5
67.05512	93.8
69.03426	9.1
69.07072	49.1
71.04994	8.5
71.57154	5.2
77.82908	4.1
79.05499	64.5
81.03463	5.5
81.07063	94.0
83.04988	13.1
83.08609	22.9
85.06552	7.0
91.05490	74.8
91.19396	5.1
93.07053	91.2
95.04979	17.3
95.08622	37.3
97.06544	17.8
97.10188	13.0
99.31532	4.5
103.05486	14.5
105.07041	50.4
107.04958	13.5
107.08612	51.1
109.10172	27.0
117.07033	24.8
117.59708	4.1
119.08574	36.2
121.06516	98.7
121.10139	24.1
122.06841	19.2
123.08069	4.4
123.11720	6.0
125.09660	13.8
129.06943	6.2
131.08597	28.9
133.10141	32.0
135.11717	21.2
137.09654	9.5
140.93544	4.6
143.08580	7.1
145.10112	24.6
147.11700	16.5
149.09616	16.5
149.13272	14.3
157.10127	10.5
159.11749	25.5
161.13225	8.8
163.11230	15.5
164.07060	31.9
169.10168	5.1
171.10257	5.1
173.11824	6.8
173.13278	11.5
177.12788	14.9
180.06747	4.8
181.12103	5.2
182.71307	4.4
183.11720	6.3
189.11249	8.0
189.12796	4.7
195.13814	11.2
222.05142	5.0
222.07620	18.4
222.11263	100.0
227.12730	11.3
229.14334	11.6
232.13353	6.5
239.18050	5.5
248.83313	5.4
255.15935	53.6
257.19058	18.3
269.17529	64.9
275.20090	56.1
286.20129	8.5
309.20477	9.8
328.15427	7.3
349.23740	58.6
367.24951	7.7
401.68610	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	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.05507	16.2
56.96564	4.6
57.03436	8.7
59.05000	3.7
60.44060	3.5
61.22938	3.5
62.33642	3.8
66.51144	4.7
67.05511	39.4
67.63811	4.5
69.03428	7.1
69.07079	21.1
71.05001	5.6
71.38364	5.1
79.05493	32.4
81.03429	5.3
81.07066	54.8
83.04972	11.5
83.08614	9.0
91.05481	43.2
93.07050	57.6
95.04969	13.4
95.08614	25.0
97.02914	4.3
97.06538	12.3
98.46794	3.5
99.04475	4.3
99.08119	4.7
103.05451	15.0
105.07033	15.7
107.04958	6.9
107.08595	25.9
109.06546	4.6
109.10163	12.7
111.08110	5.3
112.21794	3.4
117.07020	13.6
119.08598	16.9
121.06506	100.0
121.10151	14.9
122.06857	26.3
122.11567	4.3
123.08056	4.2
123.11716	5.4
125.09638	5.8
125.67713	3.7
131.08594	12.2
133.10139	21.6
135.08087	5.5
135.11717	18.9
145.10173	11.3
147.11690	6.4
149.09557	5.1
149.13264	11.6
159.11734	9.3
163.11139	8.8
164.07033	12.2
173.11838	5.0
174.09111	4.1
177.12727	4.7
180.06532	6.4
181.12196	4.9
189.04895	3.8
195.13797	7.5
205.07280	5.3
217.26471	3.5
222.07643	22.6
222.11259	16.4
232.13411	6.9
255.15926	37.2
269.17456	42.4
275.20169	23.4
297.68695	4.0
349.23788	17.7
367.24719	6.6
401.68512	6.9
402.32257	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	403.1368
Annotation	Graminone B
Peak:m/z	Relative Intensity
58.23246	0.8
69.41864	5.7
80.69597	0.7
91.05474	1.8
93.07059	1.6
95.04989	1.2
102.10669	1.0
103.05444	1.1
114.15055	0.7
121.06516	11.1
122.06835	2.7
128.68816	0.7
146.06032	0.9
177.07884	1.0
178.08467	1.5
208.06081	1.9
208.09763	1.0
209.06429	1.8
222.07639	25.1
222.11172	1.6
223.07957	27.6
223.10080	1.6
265.06863	1.8
266.10269	1.9
304.73120	0.8
325.10471	0.9
329.12241	4.0
353.10068	1.4
357.13110	19.2
385.12598	21.3
386.12949	1.0
403.13654	100.0
404.17743	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	403.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60949	0.4
51.73196	0.4
53.03947	2.1
57.01812	0.4
77.03930	0.7
79.05486	0.6
81.03422	0.5
81.07069	0.6
85.02879	0.4
90.54674	0.4
91.05482	8.0
93.07058	10.1
95.04964	3.2
98.21510	1.0
103.05468	8.1
105.04520	1.0
105.07073	0.4
107.04955	0.7
107.08563	0.6
121.02879	1.5
121.06512	100.0
122.06831	1.0
135.04404	1.4
137.05971	1.1
149.02345	1.4
151.03915	0.5
153.05457	0.7
163.03920	1.1
163.07570	0.7
167.03448	1.4
167.05684	0.4
167.07062	2.2
181.04999	6.0
191.03439	1.2
209.04378	0.7
222.70641	0.4
223.05997	3.6
263.89642	0.4
269.08136	0.5
327.30801	0.4
403.13245	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1368
Annotation	Chaetominine
Peak:m/z	Relative Intensity
58.23246	0.8
69.41864	5.7
80.69597	0.7
91.05474	1.8
93.07059	1.6
95.04989	1.2
102.10669	1.0
103.05444	1.1
114.15055	0.7
121.06516	11.1
122.06835	2.7
128.68816	0.7
146.06032	0.9
177.07884	1.0
178.08467	1.5
208.06081	1.9
208.09763	1.0
209.06429	1.8
222.07639	25.1
222.11172	1.6
223.07957	27.6
223.10080	1.6
265.06863	1.8
266.10269	1.9
304.73120	0.8
325.10471	0.9
329.12241	4.0
353.10068	1.4
357.13110	19.2
385.12598	21.3
386.12949	1.0
403.13654	100.0
404.17743	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	403.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03744	0.2
53.03951	2.1
55.01860	0.3
57.96453	0.1
65.03928	0.2
70.83646	0.3
70.83994	0.3
77.03923	0.8
79.05496	0.2
82.50836	0.2
89.30312	0.2
91.05486	6.7
93.03419	0.2
93.07050	10.0
95.04971	2.2
103.05476	9.1
105.04517	1.0
108.87299	0.2
121.06511	100.0
122.06839	0.8
147.13373	0.2
149.02342	0.7
163.03934	0.7
167.03413	1.4
181.04970	4.7
181.06519	0.3
191.03423	1.2
209.04446	0.3
223.06006	3.9
329.10226	0.7
344.68616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03952	2.0
55.01859	0.3
57.18703	0.2
65.03942	0.4
65.66269	0.1
71.09241	0.4
77.03926	0.5
79.05483	0.2
85.96192	0.1
91.05484	7.4
93.03425	0.2
93.07049	9.7
95.04974	2.5
103.05476	8.8
105.04518	0.9
121.06509	100.0
122.06837	0.7
143.17038	0.2
149.02345	0.9
160.06393	0.2
163.03929	0.5
167.03433	0.8
181.04953	4.2
191.03389	0.8
209.04509	0.3
223.06013	3.1
308.79126	0.2
316.78592	0.2
329.10303	0.4
331.61597	0.2
357.86090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
59.35708	0.3
66.11187	0.3
68.73907	0.3
69.21926	3.1
69.22254	0.5
77.03935	0.5
82.53841	0.3
82.82638	0.3
91.05484	6.3
93.07054	8.4
95.04971	1.6
98.21568	0.5
103.05473	7.6
105.04533	0.4
121.06512	100.0
122.06837	1.1
149.02345	0.8
162.18535	0.3
163.03944	0.9
166.05219	0.4
167.03448	0.7
180.06522	1.6
181.04985	4.6
181.06853	0.9
191.03412	0.7
209.04474	0.3
222.07681	0.4
223.06059	3.1
223.07968	0.6
250.55072	0.3
298.52512	0.4
329.09955	0.3
330.03204	0.3
394.51193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
51.37497	0.4
53.03954	2.0
55.01863	0.8
55.05516	0.5
56.96556	0.5
60.69286	0.4
65.03931	0.6
67.05508	0.6
70.06577	0.4
74.47597	0.3
76.04433	0.5
76.53593	0.4
77.03937	0.9
79.05489	1.4
81.03418	0.4
81.07041	0.8
85.06544	0.7
88.41345	0.5
91.05479	9.2
93.03406	0.5
93.07050	10.1
95.04974	3.0
95.08600	0.8
97.02903	0.5
98.97585	0.4
103.00800	0.4
103.05472	9.3
104.08412	0.4
105.04520	1.1
105.07035	0.8
107.04965	1.6
119.04969	1.0
119.08658	0.4
121.06511	100.0
122.06886	1.9
123.04456	0.7
129.01828	0.4
129.06996	0.5
131.04921	0.7
133.10124	0.5
135.04399	2.2
135.08015	0.5
135.11702	0.5
137.06000	1.8
145.02853	0.5
145.10040	0.5
149.02328	1.2
151.03912	1.1
153.05482	0.8
161.05989	0.7
163.03929	1.1
163.07545	0.6
165.05496	0.7
166.05074	0.7
167.03419	0.9
167.07007	6.7
177.05492	1.3
179.07124	0.6
180.06541	3.0
181.04971	5.6
181.06836	2.2
181.08475	0.7
189.09094	0.7
191.03465	0.6
201.05472	1.0
207.06586	1.1
208.09784	0.6
209.08139	0.6
221.11647	0.7
222.07683	1.6
223.05997	3.0
223.07973	1.6
224.09180	0.6
231.06270	0.4
241.21812	0.5
249.11246	0.8
269.08160	0.4
357.13016	0.9
358.10608	0.5
373.12912	0.7
385.12674	1.7
403.13516	6.2
403.22348	0.5
404.14536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
53.03943	2.3
55.01858	0.6
55.05510	0.4
56.96560	1.0
57.03447	2.2
61.02923	0.8
61.72446	0.3
65.03929	0.7
65.48803	0.4
67.05499	1.0
67.06566	0.3
69.03445	0.7
69.07059	1.3
69.07423	0.3
69.67593	2.2
73.02921	4.0
77.03933	0.6
78.65999	0.3
79.05487	1.6
80.05826	0.5
81.03423	0.6
81.07068	2.0
83.08596	0.6
85.02894	0.6
91.04928	0.3
91.05481	7.5
93.03402	0.3
93.07054	10.2
95.04997	2.4
95.08605	2.0
96.32504	0.3
97.02906	1.0
98.97599	2.2
103.05467	9.9
104.05788	0.8
105.04539	1.0
105.07033	1.0
107.04953	1.0
107.08621	1.8
109.10148	1.3
110.97594	1.3
116.98622	0.5
119.08604	1.1
121.06509	100.0
121.10134	1.4
122.06838	1.0
123.11720	0.6
128.98605	1.5
129.01833	0.5
131.00179	0.4
131.04944	0.7
133.06442	0.3
133.10124	1.0
135.11699	1.2
145.10146	1.0
146.99707	0.4
147.11700	0.8
149.02354	0.8
149.13167	0.5
157.10126	0.5
159.11729	0.5
161.13342	0.5
163.03917	0.7
165.05510	0.4
167.03427	0.8
167.07066	1.3
177.16438	0.6
180.06551	0.6
181.04941	4.5
185.03870	0.4
185.13255	0.4
187.14783	0.5
189.16394	0.7
201.00784	0.5
203.17947	0.4
204.29251	0.4
219.01785	4.0
223.05998	2.8
235.77786	0.4
237.02800	5.0
279.11703	0.7
286.12494	1.7
306.63696	0.4
315.19177	0.5
351.06067	0.4
372.20654	1.0
381.21078	5.1
381.71323	1.4
394.20520	0.5
401.72491	0.8
402.22723	0.5
403.16541	2.6
403.20093	2.3
403.33655	1.4
403.70786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78592	2.5
69.59813	2.6
69.99769	4.6
70.00124	12.7
70.57118	2.5
72.08154	16.1
79.05508	13.7
82.08428	2.9
84.08147	4.3
85.02895	6.7
86.09715	17.0
87.04454	3.2
91.05484	9.3
93.07063	4.7
95.04988	6.5
97.02876	4.0
98.97575	2.7
103.05463	3.8
105.07024	15.1
107.04969	30.7
109.46815	2.5
115.05480	6.6
117.07018	3.8
119.04906	3.1
121.06529	6.3
123.04411	4.7
126.60960	2.7
128.06204	4.5
133.06500	15.2
137.06004	4.4
141.06941	3.5
142.07764	3.6
144.55327	2.8
145.06493	9.1
147.04378	5.2
151.03903	4.8
152.04726	4.8
152.06068	3.4
161.05977	24.1
165.05449	6.7
167.07060	92.4
170.07230	6.7
171.08015	6.7
173.05980	11.2
175.07541	4.5
181.08649	29.0
187.07713	4.4
189.09099	3.8
193.08612	15.5
199.07545	4.8
201.05469	4.1
201.12321	3.5
205.08543	19.0
207.06448	5.0
208.05203	9.4
216.07852	8.6
219.10172	8.5
221.11720	3.7
223.13336	4.0
229.11858	4.8
231.10191	59.5
233.09737	3.7
235.07515	7.9
236.04730	9.3
239.07004	4.0
249.11269	4.7
253.08423	3.5
254.05783	8.8
255.10249	7.9
267.06497	3.8
268.04056	3.1
269.08060	19.2
281.08124	10.1
282.05249	4.9
282.08939	6.3
285.07755	5.3
296.10364	24.0
299.09033	7.5
300.09964	6.5
301.07343	3.4
314.11383	5.1
315.08682	74.5
315.12228	6.0
316.09366	3.5
321.11496	5.0
324.09927	10.0
325.14386	6.8
328.09363	6.0
330.10980	67.7
331.11685	8.3
342.10956	11.7
343.11826	64.9
344.12152	4.1
353.13962	20.0
357.13345	61.2
370.13870	6.2
380.99359	2.9
385.16470	100.0
419.92343	2.8
421.40607	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	15.9
56.15133	1.9
57.07057	6.7
66.74461	2.2
67.05505	27.6
68.54813	1.9
69.07071	30.8
71.04998	13.4
71.58901	3.7
75.56609	2.7
79.05493	17.1
81.06587	3.9
81.07057	60.0
83.08605	11.4
85.06544	98.9
91.05475	14.7
93.07043	48.3
95.08609	100.0
97.06547	10.9
97.10151	4.6
98.56709	2.1
99.08067	2.8
105.07020	28.2
107.08595	73.4
108.32681	2.3
109.10156	57.6
111.08112	5.2
111.11711	3.8
117.06978	2.8
119.08585	31.9
121.06480	15.5
121.10143	66.2
123.11712	25.9
125.09622	4.8
129.01819	5.1
131.08546	6.0
133.10126	24.0
135.11693	40.3
137.13277	11.7
143.08556	3.8
145.10127	11.0
147.11676	16.1
149.13249	25.9
151.14781	3.1
157.10103	7.2
159.11693	9.1
161.13248	20.2
163.14813	32.1
167.14291	2.8
169.10092	2.7
171.11717	5.4
173.13277	11.1
175.14787	10.9
177.16406	18.0
179.14308	6.7
181.15877	10.5
183.11688	4.9
185.13319	3.6
187.14774	10.9
189.16322	12.9
191.17957	52.6
193.15839	10.1
195.17398	6.1
197.13226	3.5
199.14818	3.0
201.16368	7.3
203.17976	18.1
207.17426	8.1
209.13264	5.4
213.16414	2.7
215.18030	3.6
217.19475	13.9
223.14806	5.9
227.17860	3.2
229.19519	3.4
235.20450	2.2
241.19359	5.1
251.18015	3.2
255.21031	3.4
265.19522	14.9
266.20053	2.4
267.21014	2.7
279.04004	2.6
305.23209	2.0
318.08472	2.2
333.25815	3.0
367.33548	4.3
385.30048	3.7
385.34683	39.2
386.34946	2.2
390.04269	2.6
403.33591	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.1
69.03420	2.1
69.34740	2.2
69.35169	5.0
70.06599	12.3
72.91958	0.8
74.94746	0.8
75.05758	0.7
78.86767	0.7
80.80061	0.8
81.03426	1.3
81.44471	0.8
85.02915	7.2
86.09721	0.9
91.05484	14.5
95.04981	1.2
97.02895	1.4
103.02010	0.7
109.02882	1.2
112.07606	14.1
118.04148	1.1
119.04095	1.6
119.04953	26.4
125.02352	2.5
127.03917	2.9
129.06929	1.0
131.04912	1.2
137.05975	2.8
140.07080	7.6
145.02805	1.1
145.04929	1.1
147.04420	23.8
149.75342	0.8
157.03990	1.6
158.08078	2.2
164.04723	1.4
167.07095	1.7
175.03923	41.6
179.07056	1.4
180.08656	2.9
192.04205	11.1
199.43848	0.7
207.06544	100.0
211.06013	3.5
225.07602	37.4
284.11288	1.8
334.28299	1.0
336.65213	1.0
404.15857	4.5
404.20599	1.2
408.00302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01868	7.8
56.59603	1.6
57.03425	3.9
61.02906	6.4
68.99789	5.4
69.03082	2.1
69.03433	29.3
69.84624	4.0
69.85023	4.6
71.04985	3.9
73.02898	5.3
77.26688	1.5
81.03421	24.1
81.13343	1.6
83.49725	1.5
85.02909	100.0
87.00833	42.4
87.04463	1.6
89.02088	2.3
91.39744	1.6
93.07019	2.6
97.02898	31.8
99.04450	13.9
103.03941	3.9
103.05453	1.9
105.01871	70.8
108.04479	3.1
109.02884	27.1
117.01843	3.9
121.06516	39.0
127.03933	72.2
129.01805	5.3
145.03897	2.8
145.04970	39.0
145.06219	3.5
147.02902	4.1
151.77631	1.6
159.02901	14.1
163.07556	3.4
171.02873	2.6
177.03967	2.1
187.07561	5.6
189.03984	18.0
205.08574	7.3
213.03879	3.1
229.08643	8.1
231.05017	25.9
241.58456	1.6
247.09578	8.4
249.06085	8.3
275.97491	1.6
333.09564	3.5
404.15506	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74594	0.5
53.87141	0.5
55.01862	0.6
55.05494	0.5
57.07061	0.8
61.02919	1.4
62.08578	0.6
64.01611	0.5
65.03938	0.5
67.05489	1.3
69.03422	2.9
69.07053	0.6
70.06596	3.1
70.92403	0.9
70.92722	0.6
79.05495	1.2
81.03415	1.2
81.07070	5.4
84.74814	0.5
85.02909	37.7
91.05489	12.7
93.07044	1.4
95.04984	0.7
95.08604	2.0
97.02909	2.8
99.83083	0.5
103.05438	0.7
105.07005	2.9
107.08586	1.4
109.02875	0.7
109.06516	0.8
109.10181	3.9
112.07589	2.0
118.04160	1.4
119.04951	21.5
119.08607	3.4
121.10130	2.3
123.08022	0.9
123.11714	37.3
125.05997	2.5
127.03938	1.2
132.02156	0.6
133.02925	0.7
133.06479	0.6
133.10097	0.6
140.07048	0.8
145.02840	0.8
145.04973	2.0
145.10097	1.1
146.03593	0.7
147.04413	19.4
147.08017	0.8
147.11688	4.8
149.02325	1.2
149.09662	3.2
151.07515	1.1
156.09380	0.6
157.04015	2.9
159.08006	0.6
164.04674	1.8
175.03920	41.3
176.04283	0.6
177.05493	0.6
179.07048	1.7
180.08618	2.0
189.05334	0.7
189.12744	8.1
192.04185	11.4
207.06537	100.0
207.13812	24.2
208.06804	1.3
211.05960	0.7
214.63599	0.6
225.07585	45.7
225.14845	7.2
289.80713	0.6
348.09930	0.7
423.08081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55011	1.9
53.03949	4.3
57.03431	5.1
61.02924	3.4
64.54745	1.5
69.03076	3.2
69.03436	48.7
70.90764	3.1
70.91110	3.0
71.01344	1.8
71.05006	9.1
73.02905	3.6
74.29507	1.8
81.03428	29.7
83.01329	2.4
85.02912	70.5
87.00832	39.7
87.04443	3.9
93.07036	4.9
97.02900	64.2
99.04469	25.6
101.02406	2.7
103.03967	2.2
103.05441	3.7
104.51530	1.5
105.01875	36.6
106.09027	1.8
109.02889	17.1
110.09866	1.6
115.03931	2.4
118.51423	1.6
121.06519	39.7
122.44745	1.8
127.03927	100.0
129.01779	1.8
131.21373	1.8
139.30757	1.7
145.04974	77.1
159.02892	5.5
189.03908	5.8
213.03920	3.4
222.61601	1.7
229.08559	2.8
231.05006	65.0
249.06067	32.2
266.08661	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	9.3
55.01865	6.2
55.02106	2.1
57.03430	7.7
61.02917	4.7
68.99789	1.9
69.03083	2.9
69.03434	49.5
69.46371	14.2
70.68822	1.7
71.04986	8.3
71.54107	1.7
73.02912	8.0
81.03436	25.5
83.01329	2.4
85.02908	100.0
87.00832	45.6
87.04469	4.0
91.05495	2.9
93.07035	4.4
97.02899	63.1
98.20821	4.7
98.21472	2.8
99.04462	25.7
101.02377	1.9
103.03934	3.7
103.05462	2.7
105.01878	59.4
108.04498	2.6
109.02878	23.6
115.03938	2.0
121.06509	44.2
127.03920	99.3
129.01797	3.4
145.04965	67.8
145.06171	3.2
147.02863	3.7
159.02931	16.1
163.07541	4.2
171.02914	2.9
187.07527	3.0
189.03932	9.6
205.08582	3.3
207.06487	1.9
213.03996	4.1
229.08617	4.6
231.04997	48.8
247.09717	6.1
248.07681	2.5
249.06105	27.0
351.74554	2.1
404.14746	6.4
405.15207	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	404.1709
Annotation	Oxoepistephamiersine
Peak:m/z	Relative Intensity
53.03938	2.3
53.77044	0.4
59.05010	0.8
69.03420	1.7
69.78045	1.7
69.78460	1.5
77.03898	0.5
79.05494	1.8
83.66431	0.6
84.04502	0.6
85.02912	1.7
87.04466	1.1
91.05492	14.0
93.07055	14.9
95.04964	2.0
95.08623	1.1
97.02885	1.1
98.21539	0.6
103.05475	10.5
105.04501	0.9
105.05492	0.8
105.07027	1.8
107.08601	17.0
109.06485	0.6
118.06568	3.0
119.04991	1.0
119.08589	1.3
121.06516	51.7
121.10136	2.9
127.03918	0.9
127.07571	1.4
131.08578	15.0
132.08099	0.8
137.05992	2.5
137.09619	0.9
144.04465	2.1
145.10141	0.6
146.06020	13.5
147.11720	3.5
149.09613	3.7
151.03932	0.7
160.07651	1.8
162.05498	2.6
162.09106	0.8
162.40320	0.7
164.07086	2.1
167.07005	0.7
172.04008	0.8
176.07034	1.4
178.08650	19.6
181.04938	0.7
188.07098	2.7
189.12772	14.2
190.08662	2.7
192.10263	1.2
196.09743	2.3
204.06541	0.6
204.10242	0.9
206.08133	5.2
207.13850	5.4
208.09726	1.9
216.06581	2.5
220.09686	9.3
222.07758	1.1
222.11279	40.1
225.14912	0.8
234.07573	3.0
236.09186	2.0
239.72928	0.7
240.12309	6.8
242.08012	0.8
248.09216	7.2
249.09732	1.3
250.10818	1.6
252.08632	1.7
266.10257	45.3
267.10486	1.0
284.11267	2.9
386.16043	1.8
404.17087	100.0
405.17502	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	404.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.2
62.20044	0.2
65.03952	0.5
69.53859	1.6
71.38710	0.2
81.03407	0.3
81.07051	0.3
91.05474	2.9
103.05473	0.2
104.05008	0.7
104.92929	0.2
107.05000	0.2
109.06542	0.3
114.93299	0.2
119.04947	1.5
120.08103	1.0
121.06512	0.8
122.06029	0.9
132.04443	1.0
132.52751	0.2
134.06082	0.3
137.05991	6.6
138.06337	0.3
150.05513	1.9
151.03922	0.5
164.07074	32.8
165.05475	2.1
165.07480	0.5
166.08714	0.3
167.06953	0.4
180.06543	0.4
181.04999	0.7
181.07355	0.3
194.08136	8.7
208.09697	100.0
209.10242	2.6
210.11237	0.5
212.54260	0.2
224.09201	1.4
236.09262	0.4
245.28255	0.2
268.11740	0.5
269.48593	0.3
330.13379	9.2
331.30313	0.2
362.15836	0.9
404.17142	2.2
416.05060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1706
Annotation	Oxoepistephamiersine
Peak:m/z	Relative Intensity
51.02375	0.6
53.03961	2.5
67.72149	0.5
69.39938	3.0
69.40353	0.9
76.74742	0.5
77.03928	0.8
84.56084	0.5
86.28702	0.6
91.05483	10.1
91.06018	0.9
93.07057	11.3
95.04965	1.9
103.05471	10.0
105.04531	1.3
106.83513	0.4
117.05732	1.0
118.06536	2.9
120.04518	0.6
121.06516	52.9
122.06870	1.2
128.44766	0.5
134.09750	0.6
144.04465	2.1
146.06013	13.0
146.07079	0.9
154.05028	2.0
160.07660	0.6
162.05576	1.7
162.09174	0.6
164.07095	5.2
172.03931	0.6
175.83365	0.5
176.07088	1.9
178.08650	20.2
180.06654	1.2
188.07094	3.0
188.08615	0.5
190.04967	1.2
190.08612	2.8
194.08131	0.9
196.09712	1.9
198.07622	5.3
204.06563	0.6
206.08078	5.3
208.09697	9.8
210.07457	0.6
216.06618	2.5
220.09723	9.0
222.11269	38.1
224.09200	2.7
234.07668	2.7
240.12337	7.1
248.09221	6.8
252.08754	1.2
266.10251	45.8
284.11197	2.6
330.13550	0.8
331.34650	0.5
386.16003	1.1
387.69000	0.5
404.17126	100.0
405.17386	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59602	0.3
53.03954	1.8
58.59676	0.4
68.05042	0.9
69.03413	0.5
70.82766	0.8
72.04518	1.4
75.86620	0.3
77.03966	0.5
79.05513	0.5
81.03436	1.0
91.04961	0.8
91.05488	8.1
93.03439	0.5
93.07058	11.0
95.04964	1.7
96.04496	1.4
97.02902	1.5
103.05482	7.6
105.03416	0.3
105.04531	0.9
107.04938	0.8
107.07372	0.6
108.08181	0.5
112.45115	0.3
113.93145	0.4
114.05553	4.9
118.06510	0.5
120.04485	0.8
121.02902	1.7
121.06518	100.0
122.06854	3.1
131.38676	0.3
134.06091	0.4
135.04425	1.6
136.07607	0.6
137.04962	0.4
137.06006	2.0
138.05528	1.1
138.09140	0.5
146.06006	1.1
146.08148	1.2
148.03970	1.8
151.06276	0.8
152.07062	2.5
164.07057	2.1
165.05553	0.6
166.04994	2.5
169.88399	0.4
180.06569	10.3
182.08220	0.4
192.06578	6.1
195.08862	0.4
196.09680	1.0
208.09686	1.1
210.07629	41.9
224.09200	54.4
225.09555	0.9
252.08699	38.6
265.03384	0.4
266.10345	1.3
284.11270	3.1
330.13403	11.3
372.14444	7.9
404.17490	0.8
404.23401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
53.03949	1.8
55.01872	0.3
55.30171	0.2
65.03948	0.5
68.05025	1.1
69.03416	0.4
69.88953	1.3
70.02969	0.5
72.04528	0.9
77.03948	0.8
79.05491	0.4
81.03419	0.6
91.05484	7.5
91.10563	0.2
92.05814	0.3
93.07049	11.4
94.07394	0.3
95.04984	2.2
96.04508	1.4
97.02888	1.6
98.21397	0.3
103.05473	8.6
105.04501	1.0
107.04957	0.8
107.07343	0.3
108.08126	0.5
112.03954	0.3
114.05528	4.8
114.06283	0.4
118.06547	0.4
119.04918	0.3
120.04466	0.8
121.02911	1.5
121.06509	100.0
122.06837	3.2
124.03972	0.3
127.25488	0.2
134.06015	0.3
135.04405	1.5
136.07599	1.0
138.05524	1.1
146.06000	1.0
146.08115	1.5
148.03963	1.3
151.06282	1.0
152.07083	2.9
162.05508	0.3
164.07060	3.0
165.07964	0.3
166.05002	2.4
171.66591	0.2
174.05527	0.4
180.06561	12.2
182.08209	0.2
192.06570	6.3
194.08189	0.4
196.09700	1.2
206.08075	0.3
208.09700	4.4
210.07620	38.4
211.08008	0.6
222.11241	0.6
224.09183	53.1
225.09526	0.4
234.07581	0.4
243.84058	0.3
252.08679	33.6
253.08922	0.6
266.10278	1.4
284.11292	3.1
330.13364	9.9
358.13394	0.5
372.14435	6.5
386.12762	0.8
404.13745	2.3
404.17517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.5
69.65398	2.9
88.89404	0.5
91.05502	3.3
92.05025	0.6
93.07047	3.2
95.04947	0.8
95.79009	0.4
97.28693	0.4
103.05455	1.5
104.04987	0.4
104.41095	0.4
106.06537	0.4
107.07310	1.1
116.59151	0.4
118.06538	0.7
119.04951	0.6
120.04452	1.5
121.06513	13.4
122.06062	0.5
132.04390	0.7
137.05975	1.6
138.05489	0.5
146.06053	2.1
148.03946	1.9
149.25462	0.4
150.05501	0.8
151.06317	1.8
152.07079	4.8
164.07082	12.2
166.05011	1.8
178.08661	3.1
180.06570	22.9
181.06833	0.7
188.07108	0.7
189.96065	0.5
190.05290	0.5
190.08574	0.9
194.08168	2.4
195.08919	0.7
196.09706	1.5
204.10146	0.5
206.08116	1.4
208.09706	38.5
209.00522	0.4
209.10303	0.6
210.07626	6.7
216.06477	0.4
220.09740	1.0
222.07639	1.4
222.11261	4.7
223.07941	1.2
224.09196	100.0
225.09558	1.4
239.74799	0.5
240.12241	1.1
248.09247	1.0
252.08890	0.6
266.10287	6.0
268.11780	0.5
330.13354	10.6
404.17047	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	404.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07766	0.7
56.96567	13.6
60.04519	0.7
65.57201	0.6
67.05498	1.1
71.26247	1.0
71.95270	3.2
79.05486	1.5
81.07058	2.6
84.20470	0.6
91.05482	2.3
93.07064	1.1
94.04211	1.2
98.97587	100.0
99.55329	0.6
103.45234	0.6
105.07051	1.3
109.10191	1.0
116.98624	54.3
121.06516	2.7
121.57032	0.8
122.03664	5.4
123.08090	0.6
134.99663	15.1
137.05984	45.5
138.06342	1.0
140.00182	6.9
153.00720	1.0
158.01274	3.9
179.00177	2.0
193.01715	0.7
197.01218	2.2
208.10016	1.1
211.02852	1.3
220.00471	2.6
224.09532	1.6
226.11169	19.2
235.02788	67.4
238.01520	1.9
244.12231	6.0
249.12759	1.5
253.03853	79.3
267.13748	1.2
268.12183	4.7
269.17603	1.0
271.04962	2.3
274.74719	0.7
276.05475	16.5
277.05869	0.7
280.12283	1.7
308.11505	0.9
314.27493	0.8
329.13034	0.9
344.15363	7.0
362.16437	1.8
404.17444	89.9
405.17719	2.7
405.22623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
54.03655	1.3
69.03420	4.5
69.07044	1.2
71.04989	3.3
74.70529	1.3
79.05486	4.4
81.03404	1.4
81.07051	2.0
85.02889	4.5
91.05474	15.0
93.07050	21.6
95.04946	1.7
95.08572	2.3
97.02906	2.9
98.20734	3.6
99.04460	7.4
103.05443	3.3
105.04517	1.2
105.07037	48.8
107.08598	14.5
109.06500	3.0
119.04948	2.2
119.08568	3.9
121.06506	22.5
123.08076	4.0
125.06040	1.6
131.08592	1.6
133.06500	3.1
133.10135	45.5
135.11705	2.9
137.05968	8.8
137.09593	7.3
143.08583	3.3
145.10138	7.4
146.06018	3.5
151.07536	5.9
151.11186	2.6
161.09642	29.2
161.13228	3.0
163.11192	100.0
164.07074	10.8
164.11581	1.8
165.07791	2.0
165.09129	21.3
178.08646	7.3
179.10683	58.8
180.06555	5.4
189.09143	20.6
194.08110	1.9
206.08081	6.1
207.10178	17.0
207.13794	4.5
208.09680	27.9
210.07593	2.0
218.95027	1.3
220.09689	2.4
222.11269	12.3
224.09190	30.2
225.09344	1.5
225.11327	7.9
225.14850	27.1
240.12364	2.5
246.89404	1.2
248.09131	2.5
266.10251	11.5
330.13260	4.9
404.17191	29.3
405.17111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.5
55.05506	1.9
57.03430	2.2
62.90015	1.7
62.94833	1.7
67.05487	4.6
69.03439	9.5
69.35749	11.6
70.21788	1.5
71.05003	9.4
79.05489	6.2
81.07063	27.8
82.79002	1.7
85.02918	8.7
85.06512	1.9
91.05496	17.5
93.07050	25.1
95.04974	3.8
95.08598	3.8
97.02901	12.3
98.21121	8.1
99.04465	30.9
103.05479	4.0
105.07033	39.1
107.04942	2.7
107.08611	13.5
109.06534	6.7
109.10145	2.4
111.08099	13.8
113.05988	1.9
118.59944	1.6
119.04949	4.0
119.08586	6.4
120.08099	2.9
121.06490	15.6
123.08058	2.3
123.63352	1.9
127.03913	2.7
131.08556	2.9
133.06490	5.7
133.10135	62.0
135.11713	4.0
137.05989	13.0
137.09608	1.9
143.08565	10.6
145.10092	5.0
146.07262	2.7
151.07507	5.4
151.11179	4.0
161.09636	69.5
163.11191	15.9
164.07083	32.9
171.08086	2.8
174.06810	2.1
178.08548	2.2
179.10693	35.4
179.22267	1.6
188.07202	1.6
189.09114	32.5
194.08138	7.6
207.10185	26.0
208.09702	83.0
209.10268	1.7
211.16946	2.7
222.11235	5.5
223.07899	1.7
224.09186	9.9
225.11234	100.0
240.12149	1.8
242.13951	2.5
251.73203	1.9
253.00893	1.7
266.10138	8.9
285.45911	1.6
293.57724	1.8
330.13425	8.2
404.16766	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69784	0.6
57.03424	0.6
61.02921	0.7
65.03928	0.9
67.05492	1.8
69.03432	3.4
69.66697	3.2
70.06593	7.3
71.04965	0.9
71.50334	0.6
73.86425	0.7
79.05497	1.4
79.05914	0.6
81.03408	1.1
81.07069	6.8
85.02909	43.1
86.03220	0.6
91.05488	12.6
93.07034	1.1
95.04937	1.0
95.08592	2.4
97.02898	3.6
98.20872	1.2
98.21474	1.1
98.88358	0.7
103.05441	1.0
105.07044	3.6
107.08598	2.0
109.06480	1.5
109.10175	4.3
110.14939	0.7
112.07618	7.6
118.04111	0.6
119.04100	1.2
119.04948	19.0
119.08553	3.2
121.02888	0.6
121.10159	3.3
123.11714	45.6
125.02346	1.9
125.05985	2.4
127.03922	2.3
129.03339	0.7
131.08601	1.1
133.06471	0.6
137.05995	1.2
140.07074	3.4
145.04941	2.0
145.10158	1.5
147.04416	16.9
147.08051	1.1
147.11702	5.2
149.02316	1.2
149.09625	3.3
151.03903	0.7
151.07518	1.1
157.03976	2.4
161.13271	0.7
164.04753	1.8
167.06967	0.8
175.03923	34.6
177.01794	0.6
177.05478	1.5
179.07065	1.7
179.14352	1.1
180.08676	2.1
189.12762	10.4
192.04187	10.0
197.06143	0.6
207.06538	100.0
207.13809	30.9
208.06853	1.0
211.05992	1.3
225.07585	41.2
225.14850	10.4
226.08069	0.9
242.17560	0.7
242.77841	0.7
284.11526	0.8
399.58395	0.7
403.66086	0.6
404.08481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	5.8
57.03427	5.8
61.02918	3.5
65.03905	2.9
67.01736	3.3
67.05521	16.0
69.03432	12.1
69.07088	3.3
69.40791	25.9
71.04992	4.0
72.08173	4.1
73.96162	3.1
74.37816	4.0
79.05486	3.8
81.03403	5.3
81.07052	7.5
84.08148	5.9
85.02920	17.7
85.06567	16.6
86.09722	3.5
91.05489	78.4
91.73064	3.0
93.05766	4.7
93.07037	10.4
95.08608	85.2
95.43901	3.4
97.02911	22.9
98.20773	8.2
98.97582	6.3
105.01890	6.3
105.06992	8.0
107.08582	10.0
109.02941	7.7
109.06533	7.0
113.06017	9.5
119.04967	34.3
119.08588	15.4
121.06531	19.2
121.10123	9.3
123.04324	3.8
123.08096	31.9
127.03901	11.0
131.08540	6.5
135.11674	18.6
137.05988	100.0
144.04449	12.6
145.04933	6.3
147.11725	6.5
149.09637	29.0
151.07486	3.5
151.14775	4.2
161.13237	11.3
163.03894	3.3
163.11195	12.9
165.12769	7.6
165.36642	4.0
172.03973	6.8
176.07072	31.5
189.12730	11.2
204.06651	25.1
207.13812	89.0
209.11708	10.4
224.03763	5.5
225.14864	5.8
227.12889	6.4
236.09164	17.2
241.07474	7.9
242.07919	13.1
268.11563	5.6
372.14517	26.7
386.12097	4.6
404.13196	17.6
404.17413	86.6
411.79504	4.0
428.22220	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92444	1.2
53.03939	3.1
55.01862	1.6
58.77176	1.1
62.72648	1.1
64.76707	1.1
64.89500	1.1
65.03951	2.4
65.24483	1.1
67.05511	1.4
69.03439	10.2
69.91913	2.5
69.92325	3.7
77.54433	1.2
79.05506	7.2
79.05910	1.1
84.65047	1.3
85.02897	5.8
91.05484	24.9
93.07047	24.0
95.04958	3.3
95.08601	5.6
97.02858	2.2
97.06504	2.1
103.05475	5.6
105.07037	9.5
107.04976	1.9
107.08600	100.0
109.06558	2.4
118.06565	2.7
119.04943	2.8
119.06120	2.2
119.08565	6.0
121.05653	2.3
121.06508	32.0
121.10155	12.4
127.03900	2.1
127.07542	4.7
129.06992	2.3
131.08572	83.2
137.05983	7.1
137.09637	5.5
145.04907	1.6
145.10129	2.7
146.06000	6.4
147.08044	1.3
147.11690	18.2
149.09616	22.2
151.03926	3.4
151.08873	1.1
160.07628	1.8
161.13255	2.0
167.07037	2.8
171.11679	3.8
178.08635	8.6
180.10258	2.0
189.12761	84.2
190.08728	1.7
192.10176	3.3
206.08182	3.5
207.13800	29.5
208.09688	5.6
220.09721	4.8
222.11238	19.7
224.12885	2.1
234.07755	2.0
236.09180	4.3
240.12340	4.5
242.08133	8.5
248.09280	3.6
250.10890	3.4
252.08743	4.1
266.10251	24.8
284.11432	2.3
404.17065	69.5
405.17392	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.01886	6.3
55.05515	30.5
56.96563	13.4
57.03425	25.4
57.07055	5.1
62.46078	5.5
67.05225	6.1
67.05512	80.2
69.07068	32.0
70.18035	4.8
71.04991	6.0
71.08096	5.8
71.08247	4.9
71.08624	34.5
79.05134	6.0
79.05503	51.8
81.03388	8.4
81.07069	94.0
83.04980	13.9
83.08610	18.8
84.04585	5.7
85.02906	9.7
88.32024	5.4
91.05473	47.2
93.07057	63.5
95.04978	15.1
95.08611	38.0
97.06517	9.9
97.10167	18.9
98.97652	6.0
99.08092	29.8
103.05447	6.1
105.07041	38.2
107.08595	39.2
108.85683	5.6
109.06568	8.7
109.10165	29.6
117.07021	11.1
119.08591	20.6
121.06519	31.8
121.10142	12.8
125.09648	17.8
129.07028	7.4
131.08572	13.1
133.10120	18.3
135.11723	10.4
137.05943	8.2
145.10210	6.6
146.06012	7.1
147.11684	12.6
149.13268	12.6
151.11151	28.7
156.39569	7.1
159.11710	18.2
161.13245	15.0
163.11139	11.8
164.07037	14.4
173.11726	23.3
176.07036	13.7
177.12744	16.1
179.14330	12.2
189.11209	10.4
195.13809	9.2
204.06618	21.2
208.09702	13.9
227.12704	14.3
229.14420	15.8
248.05545	46.3
253.18005	10.3
256.96198	6.0
259.20532	10.1
265.93329	5.7
269.17502	100.0
277.21643	37.2
286.20142	9.3
308.07675	22.6
344.15021	51.4
351.25320	69.5
404.17050	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.1
55.01871	6.0
55.05512	19.7
56.96548	3.8
57.03426	13.2
57.72324	3.3
63.86392	3.0
67.05176	4.3
67.05506	55.1
69.03419	4.1
69.07076	23.4
70.82679	9.9
71.04988	9.6
71.08617	12.8
79.05119	4.0
79.05498	38.9
81.03388	4.8
81.07057	70.2
83.04973	13.0
83.08607	15.5
85.02902	5.0
85.06551	4.3
91.05482	28.5
93.07039	48.9
95.04963	9.0
95.08604	23.4
97.06512	12.9
97.10159	6.5
99.04446	11.9
99.08094	21.3
105.07005	18.4
107.04908	3.2
107.08601	31.3
109.10137	14.2
111.08082	7.1
117.07011	10.6
119.08566	12.1
121.06522	19.6
121.10119	21.9
123.08021	6.3
123.11683	7.7
125.09647	4.4
125.80716	3.6
129.06999	3.3
131.08568	10.2
133.10147	16.3
135.11691	13.9
138.05505	3.4
139.11160	4.3
145.10121	7.2
147.11679	4.8
149.13242	24.5
151.11177	12.9
157.10109	4.0
159.11697	17.2
161.13264	10.3
163.11205	5.5
164.07094	5.2
171.11656	4.1
173.11852	6.8
175.14856	3.9
177.12762	20.4
179.14320	7.9
189.11172	4.2
190.00143	2.9
195.13808	7.0
204.06541	6.7
208.09662	7.9
217.94026	3.1
222.11168	3.1
224.09135	3.5
227.12796	12.2
229.14386	6.0
231.20850	3.8
234.48521	3.4
241.19434	4.9
248.05556	10.3
253.17992	4.2
259.20587	8.1
266.10172	4.0
269.17493	100.0
277.21579	19.5
286.20190	5.1
344.14877	12.9
351.25357	40.8
386.28940	3.7
404.16742	17.1
404.21564	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	405.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
55.01865	0.2
63.02379	0.2
65.03940	3.5
67.05504	0.3
69.07064	0.2
69.53602	0.2
71.58517	0.3
76.18102	0.2
79.05488	0.7
81.03438	0.2
81.07052	1.1
81.26617	0.2
89.03902	0.2
91.05484	38.6
92.05805	0.3
93.07031	0.5
94.04118	0.2
95.04970	0.3
95.08585	0.4
105.07028	0.3
107.04943	0.3
107.08578	0.3
109.06522	1.6
109.10167	0.3
115.05424	0.2
119.04948	18.4
119.08594	0.4
120.05311	0.2
121.02847	0.4
121.06499	1.7
121.10152	0.3
122.06847	0.6
123.00795	0.2
123.04433	0.5
123.07137	0.2
123.11688	0.2
125.02357	0.6
129.06931	0.2
131.04933	0.3
131.08510	0.3
133.10150	0.2
135.04465	0.2
137.05981	100.0
138.06314	1.6
139.03931	0.2
141.07004	1.8
143.08589	0.2
145.10152	0.3
147.04407	0.7
149.02368	0.4
149.05991	0.2
151.03966	0.3
157.06462	0.2
159.08075	0.3
161.05975	0.3
163.03867	0.3
165.05461	1.8
167.03372	1.5
167.07021	0.6
169.06499	0.8
171.11719	0.2
175.07480	0.2
179.07011	0.3
181.04936	0.7
183.06422	0.3
185.06032	0.3
185.13281	0.3
187.07532	3.5
187.14900	0.3
191.03453	0.2
199.14778	0.2
203.07013	0.4
205.08624	0.3
209.04512	0.9
211.06053	0.6
221.08083	0.3
256.00748	0.2
259.91296	0.2
263.09232	0.4
301.07031	0.6
303.08542	0.2
333.30453	0.2
341.07227	0.3
343.08011	0.2
345.09723	0.8
353.19836	0.4
359.08597	0.2
361.09061	0.4
371.20917	0.7
372.21353	0.5
405.31348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77832	1.0
52.20667	1.2
53.71354	1.3
65.03948	3.8
69.03426	2.6
69.23768	12.4
73.18604	1.2
78.04703	1.0
79.05490	4.2
81.03409	2.6
81.07065	1.3
84.20109	1.1
85.02883	1.5
87.28498	1.2
90.77837	1.0
91.05485	21.8
93.03405	1.8
95.04971	1.8
98.21539	2.0
103.05486	1.4
107.04948	11.3
109.06478	1.3
110.03637	1.4
115.05461	1.5
117.07032	1.1
119.04952	13.1
121.06503	2.4
122.03590	1.2
123.04410	2.1
124.05244	2.1
125.02376	2.2
129.07014	2.3
131.04953	1.4
133.06429	1.5
137.05986	100.0
143.04959	1.9
145.06500	3.6
151.03899	9.2
155.06042	1.5
157.06477	4.0
161.05983	4.3
165.05470	2.4
167.03403	4.1
167.07048	32.5
171.04442	2.7
171.06572	1.8
172.05185	2.7
173.06023	1.7
181.04958	40.4
189.05444	3.4
189.09100	3.0
201.05595	2.1
203.07053	6.9
204.02913	1.7
205.08626	2.5
209.04488	1.3
211.06099	2.7
218.05836	3.0
221.08104	3.7
233.08092	18.5
235.09673	2.5
245.08081	2.2
251.09192	4.6
263.09250	3.1
277.08691	1.4
280.68777	1.4
301.07117	4.6
316.09329	2.8
337.10718	1.8
342.11197	1.5
345.09866	1.6
351.12454	1.7
357.13159	3.8
369.13605	2.7
375.14291	3.1
387.14395	22.1
405.15720	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	405.118
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.5
67.05474	0.3
74.15260	0.3
79.05489	0.5
81.07047	0.7
91.05483	34.7
93.03413	0.4
95.04978	0.8
98.20674	0.5
107.04966	0.5
109.06517	1.5
119.04949	18.7
121.02889	1.9
135.04375	0.4
135.85127	0.3
137.05980	100.0
138.06361	0.9
139.03915	1.1
149.02351	1.7
151.03867	0.4
160.80910	0.3
163.03944	0.6
165.05489	2.7
167.03406	12.3
167.07106	0.5
179.07027	1.0
181.04993	1.3
183.27086	0.3
191.03447	1.5
209.04439	4.0
233.08064	0.7
235.35793	0.3
267.06525	0.5
303.08615	1.4
345.09692	5.2
363.10355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1394
Annotation	Secologanoside 7-methyl ester
Peak:m/z	Relative Intensity
53.03955	2.5
57.03430	3.0
61.02924	2.9
67.05505	3.7
69.03454	5.3
71.01380	1.3
71.05013	1.4
71.18689	2.9
79.05509	1.4
81.03408	3.7
85.02422	1.8
85.02911	21.7
85.35627	1.2
91.03986	1.3
95.01318	1.1
95.04980	55.4
97.02898	9.4
105.57001	1.0
109.02925	5.1
109.06506	2.2
117.05504	1.2
123.00771	1.7
123.04440	22.1
125.02364	38.8
127.03912	5.9
131.21767	1.1
137.06013	2.3
139.02911	1.9
139.03923	20.2
141.01901	1.5
141.05482	12.4
145.04987	6.9
147.04427	2.1
151.03918	82.9
155.07051	1.7
163.06087	1.3
165.05466	10.7
167.03421	38.9
169.04974	32.8
169.06358	1.6
175.03879	2.5
183.06583	2.0
185.04428	1.2
193.05002	10.0
207.06558	2.0
211.06036	100.0
212.06410	1.7
225.07420	1.4
229.07109	19.1
243.08699	12.5
247.51273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
56.55891	1.2
67.05496	1.8
69.03429	2.1
70.88593	3.6
79.05496	2.9
81.03439	1.5
85.02911	7.1
86.64304	1.1
88.01164	1.3
91.05474	5.1
95.01308	1.6
95.04971	37.3
97.02913	2.1
107.04985	1.7
108.35131	1.3
109.02886	1.6
109.06541	2.2
113.32172	1.3
119.04938	4.6
121.06455	1.7
123.00798	3.0
123.04425	15.2
125.02396	1.4
137.06000	5.1
147.04411	4.6
151.03918	83.6
165.05489	100.0
166.05901	1.5
167.07028	1.8
169.04955	1.5
175.03883	2.7
181.04994	3.1
193.04994	17.6
204.02774	1.3
207.06558	3.4
211.06055	11.3
225.07613	17.8
243.08682	1.8
250.10278	1.2
257.53757	1.5
405.17258	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68956	3.3
55.01864	4.9
55.64201	3.5
71.31246	4.4
72.04514	12.3
73.00709	3.9
73.05965	3.3
85.02891	13.8
88.02214	12.8
91.05463	5.7
95.04961	28.0
95.41689	3.2
97.02884	5.6
99.04473	4.2
99.05578	12.7
103.03954	7.6
106.60821	2.8
107.62489	3.0
109.02843	3.4
114.03728	5.3
119.04947	4.7
121.06461	4.5
123.04425	13.1
127.03929	4.8
130.84125	3.4
132.04779	14.3
142.08662	15.9
145.05020	3.5
145.69400	3.5
151.03918	73.0
159.05856	4.5
165.04149	6.2
165.05486	81.8
175.05493	4.2
184.09727	6.9
193.05032	12.7
211.06020	10.3
225.07579	16.8
227.12761	6.9
242.57852	3.8
243.08638	4.4
261.12695	9.3
387.13190	4.0
405.17068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1524
Annotation	Mallotophenone
Peak:m/z	Relative Intensity
57.44817	0.9
70.99538	2.0
76.84856	1.0
87.80726	0.9
94.93008	2.8
186.82607	1.0
248.89645	4.2
261.02243	1.5
405.15225	100.0
406.15836	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1545
Annotation	Nitidanin
Peak:m/z	Relative Intensity
56.13587	1.2
61.11548	1.3
65.03932	5.5
65.39112	1.2
67.05486	2.4
67.92461	1.7
71.57856	2.9
75.50461	1.6
79.05480	5.7
85.02896	2.0
86.09724	1.4
91.05488	26.6
93.07045	1.9
95.04958	2.7
100.36182	1.3
105.40438	1.5
107.04977	11.8
109.06524	1.8
114.81626	1.4
115.05449	2.7
119.04968	13.7
121.02847	1.8
121.06490	3.8
122.03587	2.7
123.04341	1.9
124.05251	1.7
125.02377	2.6
125.06042	2.3
128.06253	1.8
129.07059	3.3
133.06522	1.9
137.05986	100.0
138.06335	2.0
139.03929	1.7
143.04977	2.8
145.06505	4.7
149.05956	1.9
151.03909	12.1
151.05003	2.2
153.05502	2.8
157.06503	5.9
160.05249	2.4
161.06009	3.2
165.05486	1.6
167.03404	6.0
167.07053	37.0
171.04388	3.0
172.05283	2.0
173.05896	2.1
175.07533	2.3
181.04980	46.7
187.07550	3.5
189.05428	3.9
189.09117	2.7
191.07159	3.6
195.06421	1.6
200.77771	1.6
203.06982	7.4
205.08583	4.2
206.05719	1.6
209.04437	1.9
209.08057	2.4
211.05988	2.4
218.05746	3.9
221.08052	3.5
233.08112	24.8
235.09720	4.3
251.09225	3.4
263.09137	4.2
280.07761	1.6
301.07028	5.2
316.09393	5.7
345.09872	1.9
357.13303	6.4
369.13300	3.5
375.14288	3.6
387.14401	29.4
404.66827	1.8
405.16040	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03940	5.4
55.01874	11.0
55.05519	31.0
55.71846	2.5
57.03439	7.5
57.07076	8.0
64.74197	2.5
65.03962	5.6
67.05514	76.7
69.03442	35.5
69.07069	42.2
71.01358	3.3
71.05003	8.6
71.08618	2.6
79.05502	70.6
81.03421	27.7
81.07067	90.6
83.04997	17.1
83.08624	18.4
85.02914	13.2
85.06544	5.3
87.04482	3.1
91.05492	67.1
91.06013	4.9
93.07056	81.0
95.04975	19.6
95.08614	81.4
97.02914	8.0
97.06538	6.7
97.10204	11.3
99.04465	6.1
99.08093	2.9
103.05538	3.6
105.04610	2.7
105.07047	69.3
107.04980	9.4
107.08601	53.0
107.09280	3.0
109.02925	8.6
109.06551	12.5
109.10178	41.8
109.65829	2.4
111.03806	2.8
111.04432	13.7
111.08104	4.9
111.11774	3.1
111.30466	2.5
115.05492	5.1
117.07031	44.8
119.08597	67.6
121.06540	10.4
121.10164	32.9
122.10545	3.1
123.04455	6.8
123.08096	6.3
123.10949	2.6
123.11722	14.0
125.02420	5.6
125.09647	4.3
127.03964	5.3
128.06264	6.7
129.05551	3.6
129.07010	32.5
131.04926	3.0
131.08578	58.4
131.09514	4.0
133.06554	11.2
133.10146	44.0
133.11076	3.5
135.08105	9.6
135.11694	31.2
136.75223	2.9
137.06078	4.4
137.09686	6.0
137.13287	5.4
139.11200	3.1
141.07027	8.8
142.07819	6.3
143.08568	29.4
145.06532	8.1
145.10127	49.9
147.08099	13.1
147.11728	38.9
149.09683	9.8
149.13278	20.3
151.03896	3.0
151.07607	5.5
151.74654	2.8
155.08560	15.9
156.09378	3.8
157.06503	3.5
157.10135	34.7
157.11287	2.9
159.08080	9.3
159.11722	32.7
161.09685	10.8
161.13306	22.3
163.07672	4.3
163.11264	6.3
163.14937	9.8
165.07126	3.6
167.07114	3.1
167.08595	5.2
169.10143	16.2
171.08162	6.1
171.11717	24.0
173.09689	6.1
173.13274	29.0
175.11279	5.6
175.14915	12.2
177.12743	4.3
177.16515	4.2
179.14342	4.1
181.10231	9.3
183.11743	14.9
185.09764	4.9
185.13289	20.1
186.14166	3.9
187.11259	8.4
187.14880	18.1
189.12881	6.8
189.16507	9.2
191.10709	3.0
191.18040	4.5
193.10229	3.3
193.12361	2.6
195.11774	7.7
197.13351	10.3
199.11340	3.7
199.14865	15.5
201.12830	9.1
201.16481	10.8
203.14383	6.3
203.18164	3.5
205.15834	3.9
205.19548	3.5
207.11844	4.3
207.14021	3.7
207.19580	3.3
209.13370	9.1
211.11343	3.8
211.14844	8.1
213.12709	3.8
213.16528	8.9
215.14389	5.0
215.18027	3.6
223.15004	5.5
225.16524	3.4
227.18030	6.4
229.12395	2.9
229.19565	4.5
239.14302	2.8
239.18095	4.0
241.19737	3.2
243.21153	6.3
251.18217	3.1
253.19603	5.3
259.20612	6.4
261.22379	3.4
267.21249	9.7
271.20755	4.7
273.22293	10.2
275.20154	3.1
277.21716	7.4
281.22845	3.4
285.22122	5.3
289.21799	6.9
291.23413	5.0
301.21796	10.8
303.23389	8.3
309.22403	4.3
313.21750	3.8
315.23248	15.9
317.24954	3.3
319.22937	10.2
321.25876	5.2
323.24011	3.7
327.23355	11.2
331.22894	5.5
333.22079	3.0
341.24887	15.5
345.24460	9.1
351.23221	14.9
359.25970	5.8
369.24240	65.6
387.25336	63.0
387.29672	4.0
405.26575	100.0
405.31287	17.3
405.35779	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2637
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03936	8.3
55.01866	13.6
55.05511	28.6
57.03424	9.8
57.07076	4.6
57.93275	2.9
61.02912	3.3
65.03922	5.1
67.05177	5.5
67.05507	76.1
68.13462	3.0
69.03432	27.3
69.07066	30.8
71.01331	4.3
71.04996	7.9
71.08951	3.8
71.09275	6.1
79.05069	4.1
79.05496	59.7
79.81308	3.3
81.03423	25.4
81.07061	78.3
83.04983	16.4
83.07045	3.1
83.08599	11.0
85.02896	9.0
85.06563	3.2
91.04969	4.8
91.05489	61.9
93.07044	72.6
95.04971	19.1
95.08611	76.7
96.16041	3.1
97.02896	17.1
97.06497	7.9
97.10169	8.4
99.04444	6.6
105.07034	68.6
107.04963	8.5
107.08596	41.9
109.02878	5.6
109.06492	8.9
109.10156	24.3
111.04441	14.4
111.08076	6.5
115.05434	6.4
117.07026	32.6
117.45494	3.5
119.08592	50.9
121.06493	12.1
121.10154	31.5
123.04418	4.0
123.08105	7.2
123.11694	8.9
123.94764	2.8
127.03867	10.7
128.06189	4.4
129.05478	4.4
129.07022	21.3
131.08572	52.4
133.06465	10.1
133.10129	40.8
135.08038	7.6
135.11717	21.1
135.71825	3.2
137.05954	4.0
137.09613	5.8
139.03899	3.7
141.06989	5.9
142.07790	4.1
143.08582	22.5
145.06496	9.7
145.10144	39.7
147.08057	10.8
147.11671	26.3
149.05951	4.9
149.09595	7.1
149.13226	9.9
151.07559	5.0
155.08522	10.5
157.06430	3.9
157.10158	24.7
159.08038	6.2
159.11687	33.8
161.09598	10.0
161.13251	11.4
163.11160	6.6
163.14894	5.1
165.09084	3.5
165.12700	3.5
167.08537	4.0
169.10129	15.1
171.08098	5.0
171.11653	22.8
173.09633	8.2
173.13232	18.7
175.07559	3.7
175.11171	7.2
175.14806	5.0
177.12761	5.2
181.10159	9.2
183.11644	11.4
185.09756	3.8
185.13222	19.5
187.11208	6.0
187.14850	10.9
189.12814	3.9
191.10556	3.7
195.11671	5.5
197.13234	5.6
199.11172	4.3
199.14951	7.3
201.12738	5.0
201.16382	4.9
203.10617	4.1
207.11659	4.0
209.13293	7.8
213.12834	6.5
213.16399	4.9
215.14351	4.9
223.14754	5.7
225.12715	4.6
225.16315	4.2
227.14360	4.4
241.19414	4.3
257.18912	4.6
259.20612	9.5
261.22406	4.2
273.22156	10.7
277.21652	6.7
285.22058	4.0
289.21521	6.1
291.23148	4.8
299.23569	3.8
301.21661	10.8
303.23285	8.0
313.21616	6.0
315.23187	11.5
317.24521	3.7
319.22665	11.1
323.23764	5.5
327.23257	13.5
331.22665	7.2
341.24713	16.3
345.24136	10.0
351.23120	9.7
359.25610	6.4
369.24265	56.1
387.25269	67.7
405.26410	100.0
405.31128	5.9
405.35083	7.7
413.75369	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	405.2641
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03948	5.9
55.01877	10.6
55.05513	26.2
57.03435	7.1
57.07072	8.8
65.03950	5.4
67.05510	56.0
68.99778	1.7
69.03435	23.5
69.07079	32.2
71.01372	2.6
71.05008	6.2
77.03950	2.4
79.05500	47.5
81.03424	28.8
81.07063	65.5
83.04981	13.3
83.08630	12.8
85.02914	14.3
85.06551	4.0
87.04414	1.8
91.05489	52.7
93.07052	57.8
95.04980	15.9
95.08615	57.3
97.02888	9.3
97.06568	4.4
97.10182	7.3
98.21606	3.1
99.04455	3.7
99.24874	1.6
103.05512	3.2
105.07037	59.6
107.04993	6.7
107.08602	40.3
107.09299	2.8
109.02885	4.2
109.06528	9.4
109.10160	29.2
111.04460	12.6
111.08065	2.9
111.11749	6.3
115.03930	3.3
115.05476	4.8
117.07027	31.2
119.04985	2.0
119.08588	51.7
119.92842	1.6
121.06548	7.4
121.10152	34.9
123.04444	4.8
123.08067	4.9
123.11742	12.7
125.02327	2.0
125.06059	2.5
125.09662	2.7
127.03966	5.3
128.06271	6.0
129.05524	4.3
129.07021	17.6
130.07819	3.2
131.04942	2.2
131.08583	38.8
131.09523	2.7
133.06464	8.2
133.10143	41.7
133.11073	2.7
135.08037	10.2
135.11696	22.2
137.06035	5.7
137.09641	3.9
137.13322	4.4
139.03908	2.0
139.07605	2.6
141.07025	6.8
142.07866	4.6
143.08586	20.4
144.09355	2.0
145.06506	7.4
145.10138	38.1
147.08076	8.4
147.11700	29.8
147.12798	2.9
149.05957	2.3
149.09659	3.9
149.13278	18.7
151.07599	2.3
151.11194	2.2
153.07071	2.6
153.09161	2.2
154.07793	2.1
155.08533	10.2
157.06535	5.4
157.10150	20.5
159.08122	6.4
159.11699	33.5
161.09680	7.0
161.13283	18.9
163.07607	2.3
163.11266	4.5
163.14915	7.2
167.08623	3.7
168.09386	3.2
168.96198	1.5
169.10126	14.1
171.08119	4.0
171.11720	22.2
173.09657	7.8
173.13252	24.7
175.07481	1.7
175.11238	5.2
175.14870	12.9
177.12837	3.1
177.16451	5.9
179.10608	1.9
181.10167	4.6
183.08148	2.8
183.11719	10.2
185.09627	3.3
185.13292	16.2
186.13927	1.8
187.11221	3.7
187.14856	19.6
189.12827	6.8
189.16478	5.0
191.17999	4.9
193.12309	1.8
195.11777	4.4
197.09647	2.2
197.13280	9.5
199.11354	2.9
199.14850	10.8
201.09166	2.2
201.12891	4.3
201.16425	8.9
203.10689	1.9
203.14403	3.8
205.12471	2.0
207.11839	3.3
209.13373	4.8
211.06075	3.0
211.11417	2.3
211.14926	5.3
213.12839	3.8
213.16304	8.0
215.14494	2.4
215.18071	4.3
219.14073	2.7
219.17519	4.4
220.17929	3.3
221.13377	2.8
223.14948	4.3
225.12599	2.2
225.16541	6.7
226.17201	2.8
227.14453	3.0
227.18057	5.7
229.07181	1.8
229.19621	7.5
231.13893	2.3
233.15489	2.4
235.17128	2.1
237.16423	2.6
239.14421	2.3
239.18073	4.6
241.19617	4.0
243.17542	2.8
243.21211	4.9
251.18031	2.6
253.15985	3.3
253.19690	3.1
255.21161	4.2
257.19131	2.0
259.20712	6.7
261.22183	1.8
267.21176	3.9
269.22681	2.6
271.20810	4.4
273.22226	10.7
275.20291	2.5
277.21811	6.9
279.23453	2.3
281.22760	4.9
285.22256	5.0
289.21686	5.4
291.23355	6.0
295.24323	3.3
297.22470	2.3
299.23730	2.6
301.21472	8.0
303.23428	5.6
309.22363	2.4
309.25809	3.9
313.21841	3.6
315.23157	9.2
317.25012	3.5
319.22864	7.1
321.25937	2.2
323.23822	3.1
327.23212	7.9
331.22888	4.3
341.24707	13.2
343.28076	1.7
345.24133	10.1
351.23297	11.5
359.26141	3.4
361.23892	2.1
369.24265	47.9
387.25385	54.5
387.30453	4.0
405.26532	100.0
405.30936	7.4
405.35452	51.9
406.26678	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2637
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03939	6.0
55.01863	7.4
55.05511	19.6
57.03424	6.6
57.07056	4.2
65.03935	4.1
67.05180	3.3
67.05508	50.8
69.03433	25.3
69.07064	18.3
71.04987	7.6
71.28221	5.3
79.05501	43.6
81.03429	24.4
81.07062	68.2
83.04974	10.1
83.08618	8.1
85.02917	13.4
85.93684	2.1
91.05484	51.0
93.07047	52.9
95.04988	13.2
95.08051	3.4
95.08607	41.6
97.02886	10.4
97.06509	7.5
97.10153	5.7
99.04439	5.2
103.05431	4.1
105.07037	52.9
107.04945	3.9
107.08604	30.5
108.81383	2.6
109.02869	8.5
109.06515	7.6
109.10179	16.1
111.04433	11.1
111.08086	4.7
115.03916	3.3
117.07012	28.9
119.08585	49.2
121.06480	4.7
121.10152	23.7
123.04423	4.9
123.08058	5.1
123.11716	7.2
125.09631	3.6
127.03914	5.0
128.06190	6.0
129.05470	3.2
129.06990	16.9
131.08577	41.7
133.06493	6.4
133.10144	26.7
135.08051	6.6
135.11702	18.3
142.07787	3.2
143.08589	18.5
145.06482	5.5
145.10144	30.5
147.08051	6.4
147.11723	23.0
149.13284	9.0
154.07784	3.2
155.08553	7.1
157.10126	16.9
159.08049	7.3
159.11717	26.1
161.09671	5.7
161.13225	11.3
163.11197	4.6
169.10144	9.5
171.08064	6.6
171.11728	15.3
173.09669	5.9
173.13274	17.0
175.11211	5.5
175.14816	5.7
177.12784	2.8
181.10115	4.8
183.08061	3.4
183.11716	11.1
185.09663	2.6
185.13277	10.8
187.11252	5.2
187.14828	6.8
189.12718	3.3
189.16408	3.0
193.10245	3.1
195.11708	2.5
197.13193	4.0
199.14868	7.7
201.12840	4.7
201.16336	3.6
203.14386	4.6
203.17809	2.6
209.13393	3.3
211.14848	4.1
213.16397	2.8
215.14435	2.9
217.15923	3.4
225.12714	4.0
227.14491	3.1
229.15863	2.6
233.15559	2.8
241.19560	3.7
247.20638	2.5
259.20474	5.9
271.20517	3.7
273.22214	10.0
277.21686	8.3
285.22278	3.6
289.21695	6.4
291.23215	4.3
295.20105	2.6
301.21753	6.4
303.23334	8.7
313.21942	4.5
315.23187	9.6
317.24701	2.9
319.22800	5.5
327.23096	4.9
331.22757	6.1
341.24673	11.8
345.24326	7.9
351.23264	9.1
359.25790	5.4
369.24280	42.1
387.25323	53.1
405.26410	100.0
405.31494	5.3
405.35400	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	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.4
55.01873	7.1
55.05514	50.2
56.96558	5.7
57.03430	4.8
65.03930	6.8
67.05176	4.2
67.05511	66.8
69.03423	5.7
69.07073	42.7
70.71135	5.6
71.04990	9.6
75.90808	2.8
79.05499	52.5
81.03401	3.3
81.07059	78.5
83.04983	6.4
83.08626	42.5
84.04500	3.8
85.06559	4.6
85.50601	3.2
91.05483	80.9
93.07046	63.9
95.04959	12.2
95.08614	57.2
97.06533	12.4
97.10168	10.4
98.21503	2.7
98.97582	10.1
99.08106	5.1
103.05485	4.5
105.04541	3.3
105.07034	68.1
107.04945	8.1
107.08595	33.8
109.06519	10.2
109.10143	17.9
111.08089	9.8
115.05462	8.2
116.98576	4.7
117.07030	56.5
119.04893	4.1
119.08578	36.6
121.06528	22.6
121.10129	26.2
123.04470	3.1
123.08112	7.4
123.11714	4.6
125.09612	7.9
128.06250	12.9
129.07024	61.5
130.05029	4.8
131.08578	100.0
133.06511	9.8
133.10143	21.3
135.08023	7.6
135.11668	10.0
137.05978	4.5
137.09639	6.2
139.07434	3.5
139.11191	10.4
141.07019	16.2
141.09047	3.5
142.07817	5.0
143.08577	46.5
145.06468	5.7
145.10123	33.2
147.08026	9.0
147.11703	8.1
149.09615	10.3
149.13330	3.7
151.11282	4.1
155.08562	35.6
157.06493	4.5
157.10124	26.0
159.08066	7.7
159.10315	3.0
159.11652	15.6
161.09647	5.1
161.13216	4.0
163.11182	5.4
167.08546	17.1
167.10773	3.5
169.10124	22.3
171.07993	4.7
171.11717	16.0
173.09734	3.4
173.13277	6.3
175.09605	7.5
175.11215	8.2
177.12738	7.2
178.07629	3.4
179.08574	8.6
181.10135	17.1
183.11716	12.5
185.13240	9.2
187.11221	6.4
193.10178	5.9
195.11707	16.6
195.13522	2.5
197.09689	3.5
197.13283	8.0
199.14886	7.6
203.12752	5.3
205.12146	3.9
207.11629	8.5
207.13657	3.7
209.13234	12.5
211.14850	8.6
213.12761	6.9
215.14357	3.7
221.13235	11.2
223.14798	19.9
225.12740	4.2
225.16377	5.5
227.14426	3.5
233.15332	15.7
235.14819	9.9
237.16386	5.6
239.14320	9.0
241.15833	6.5
247.14798	3.9
247.16972	3.7
249.16473	4.3
253.15898	6.8
257.15353	9.5
259.17004	8.1
271.16946	14.1
275.16385	3.8
285.18564	5.6
305.22635	5.4
315.20981	4.5
323.23682	9.0
333.22122	21.0
341.24692	9.4
351.23141	48.9
363.10168	10.1
369.24185	37.9
387.25323	55.1
405.11209	10.6
405.21844	22.3
405.26428	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	405.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.05518	1.4
57.03444	0.3
57.07057	0.3
65.03951	3.3
67.05512	3.3
69.07070	2.2
69.21445	2.9
71.04994	0.8
79.05507	1.5
81.06639	0.5
81.07070	4.6
83.04980	0.3
83.08620	1.2
85.06546	0.6
87.34458	0.3
91.05489	100.0
92.05827	0.6
93.07063	2.1
95.04976	0.3
95.08625	3.7
97.06539	0.4
97.10181	1.1
105.07059	1.2
107.08608	1.3
109.10175	2.3
115.05492	0.4
117.07027	5.9
119.08585	1.0
121.06548	0.4
121.10145	2.0
123.11708	1.0
125.09683	0.5
126.58523	0.3
128.06189	0.4
129.07008	1.9
131.08577	2.9
132.08064	0.3
133.10147	1.1
135.11711	1.5
137.09616	0.4
141.07016	1.7
143.08577	1.6
145.10138	0.9
147.11771	0.6
149.13255	0.9
155.08597	1.2
157.10168	1.0
159.11720	1.0
161.13283	0.6
161.37909	0.3
163.14790	0.3
167.08578	0.8
169.10156	0.8
171.11703	1.0
175.14859	0.5
179.08565	0.3
179.14261	0.3
181.10162	0.6
183.11745	0.3
185.13226	0.3
187.14828	0.4
195.11696	0.3
199.14896	0.4
207.11777	0.5
209.13312	0.3
211.14888	0.6
221.13284	0.5
231.21042	0.4
235.14728	0.4
241.19585	0.4
259.20642	0.6
261.22141	0.5
277.21655	2.5
279.23260	2.3
295.22711	0.9
297.24387	0.4
313.23727	0.3
351.26804	0.9
369.27936	0.8
402.25061	0.3
405.26099	2.0
405.35260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.352
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
53.03946	1.1
55.01854	1.1
55.05512	13.5
57.07071	3.4
67.05507	18.1
69.03423	4.7
69.07070	20.2
71.04982	1.1
71.08647	1.7
79.05495	12.5
81.03434	2.9
81.06580	1.8
81.07063	34.7
83.04987	1.2
83.08628	7.9
85.02924	1.4
91.05478	13.5
93.07045	22.2
95.04971	4.1
95.08612	47.7
96.08968	1.1
97.02869	2.0
97.10175	5.7
105.06402	0.9
105.07038	24.6
107.08598	28.7
109.06515	2.4
109.10160	31.3
111.04475	2.5
111.08020	1.2
111.11720	2.1
115.05448	1.3
117.07039	7.8
119.08596	29.0
119.09451	1.5
121.06507	2.4
121.10153	24.9
123.08041	1.6
123.11718	15.9
125.02343	2.3
128.06241	2.0
129.07022	7.9
131.08571	14.3
133.06480	1.9
133.10139	17.5
135.08073	1.9
135.11687	13.9
137.06015	1.8
137.13248	7.9
139.07567	1.0
142.07784	3.0
143.08560	9.1
145.06488	2.1
145.10143	20.1
147.08076	1.2
147.11687	13.6
149.09615	1.5
149.13269	17.5
150.64780	1.1
151.14822	2.4
155.08549	5.9
156.09363	1.2
157.10126	11.1
158.10916	1.8
159.11696	18.3
161.09691	1.6
161.13263	11.8
163.11148	1.3
163.14815	8.8
167.08582	1.4
169.10139	5.3
170.10915	1.2
171.08130	1.2
171.11665	12.7
173.13277	16.1
175.11201	1.3
175.14861	9.5
176.78818	1.2
177.16429	8.4
181.10194	2.1
183.11726	8.0
185.13239	9.6
187.11220	1.5
187.14827	14.8
189.16399	8.8
191.18039	4.7
195.11736	2.6
197.13284	6.8
199.14894	6.7
201.12811	1.2
201.16396	11.6
203.17909	7.4
205.19556	4.5
209.13350	1.8
211.06050	3.1
211.14883	7.0
213.16425	8.0
215.14346	1.2
215.17981	6.8
217.19412	2.0
223.14928	2.0
225.16379	5.0
227.17877	5.1
229.19467	6.1
239.17938	5.0
241.19446	5.3
243.02539	1.0
243.21085	9.1
251.18033	3.0
252.18690	1.6
253.19519	4.5
255.21220	3.6
257.22659	1.8
265.19540	2.2
267.21054	18.3
267.23529	1.4
269.22684	7.2
281.22690	5.1
291.20987	1.5
293.22852	1.5
295.24219	4.2
307.24362	2.1
309.22571	1.5
309.25659	6.3
321.25760	6.6
327.23337	1.4
335.27493	4.7
341.24945	1.8
349.29047	2.0
362.29843	2.8
363.30411	2.6
369.24289	5.3
377.32275	2.0
380.60489	1.2
387.25479	6.1
387.29953	2.3
405.26523	11.1
405.35349	100.0
406.35410	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	405.352
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
53.03957	1.1
55.05515	5.5
56.96563	2.3
57.07079	3.1
62.20118	0.8
65.03936	1.4
67.05511	7.7
69.03445	0.9
69.07074	15.0
69.46072	6.8
70.98109	1.2
71.04993	1.0
71.08624	1.5
79.05493	7.1
81.03409	1.2
81.07066	22.3
83.08617	3.9
85.54397	0.9
91.05477	8.3
93.07054	11.0
95.04980	2.1
95.08612	30.3
95.51357	0.9
97.10186	4.8
98.21502	1.2
105.04543	1.0
105.07024	11.7
107.08597	17.5
109.10156	14.0
111.11726	2.8
117.07045	4.3
119.08595	13.4
121.06500	1.9
121.10159	14.8
123.04434	5.7
123.11708	11.3
125.02395	1.7
129.07054	1.6
131.08577	5.8
133.10120	15.8
135.11700	7.5
137.05992	1.7
137.13269	4.1
143.08600	4.8
145.10130	9.7
147.11687	8.7
149.13264	11.0
151.14804	1.4
155.08604	2.2
156.09344	1.7
157.10127	7.2
159.11711	12.4
161.13284	4.9
163.14824	6.2
169.10115	6.0
171.11720	10.3
173.11919	1.4
173.13278	11.6
175.14862	6.7
177.16386	6.9
183.11667	7.2
185.13293	9.1
187.14851	7.7
189.16397	4.8
191.18005	1.2
195.11597	1.6
197.13266	6.7
199.14926	4.5
201.12871	1.1
201.16403	4.3
203.17989	3.8
209.13327	1.5
209.94514	1.0
211.05971	1.8
211.14767	5.1
213.16438	3.5
215.18044	3.8
217.19609	1.8
223.14948	1.2
224.15613	1.9
225.16473	4.7
227.17953	2.1
229.19543	7.1
237.16458	1.3
239.18001	3.7
241.19580	1.8
243.21130	11.1
253.19576	2.6
255.21140	3.1
257.22617	1.2
265.19809	1.4
267.21078	24.0
269.22665	16.6
281.22635	5.1
283.24185	1.8
295.24203	6.0
307.24243	1.8
309.25754	12.4
309.28696	1.3
321.25693	4.5
323.27316	1.7
335.27325	3.3
347.27716	1.7
349.28967	3.0
362.29611	3.0
363.30588	2.1
369.24240	1.8
373.10562	1.1
377.32016	1.6
387.25458	1.7
387.29962	1.2
405.26349	3.4
405.35245	100.0
406.35596	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	405.3518
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
53.03947	1.6
55.05513	5.4
57.07081	2.5
61.16127	1.3
67.05510	10.2
69.03423	2.8
69.07073	13.2
69.91682	3.1
69.92078	2.9
70.22505	1.3
79.05108	1.2
79.05487	6.7
81.07066	24.6
83.08626	5.2
91.05482	7.5
93.07040	16.1
95.04967	1.7
95.07992	1.3
95.08607	30.6
97.10176	3.7
105.07031	13.2
107.08603	23.1
109.10160	16.1
117.07008	3.9
119.08590	15.6
120.56191	1.4
121.10146	15.4
123.11736	9.1
125.02324	1.6
127.61673	1.3
129.07048	1.9
131.08592	10.0
133.10150	13.7
135.11736	9.2
137.13258	3.1
139.07460	1.5
143.08600	4.9
145.10127	13.8
147.11710	8.9
149.13289	14.8
151.14799	1.8
155.08586	2.7
157.10149	8.8
159.11699	11.0
160.10815	1.3
161.13237	7.0
163.14830	8.0
169.10162	4.5
171.11723	9.7
172.12302	1.6
173.13281	11.4
175.14876	7.7
177.16420	6.4
183.11714	5.1
185.13271	7.2
186.14406	1.3
187.14790	10.4
189.16379	6.8
191.17972	1.7
197.13286	5.3
199.14891	7.0
201.16441	4.8
203.18018	3.6
209.13348	2.4
211.06070	3.6
211.14879	5.6
213.16454	6.3
215.18021	2.4
223.15021	2.0
225.16455	4.6
226.17255	1.4
227.17915	4.0
229.19560	6.3
230.19955	1.4
239.17964	4.0
241.19394	2.7
243.20995	9.5
251.02431	1.6
253.19580	3.7
255.21068	2.6
267.21097	16.3
269.22644	23.8
281.22696	5.0
295.24271	3.8
309.25766	5.6
321.25671	3.8
323.27191	1.6
349.28918	3.4
362.29837	2.7
369.24451	2.3
370.20364	1.5
377.31955	2.4
387.25281	4.8
405.26413	3.2
405.35196	100.0
406.35501	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	405.3516
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
55.05502	7.5
57.07071	3.9
57.95698	1.6
60.46381	1.7
61.18032	1.6
65.03944	2.2
67.05508	15.9
69.06786	1.6
69.07074	17.9
71.08640	2.8
78.67790	1.5
79.05484	7.7
81.06647	2.4
81.07061	30.1
83.08643	8.8
85.10145	1.6
86.91514	1.6
91.05478	8.3
93.07053	20.5
95.04983	4.3
95.08614	44.2
97.10166	6.2
105.07043	18.5
107.08594	23.5
109.10165	21.8
111.11707	3.3
117.07016	6.0
119.08591	22.8
121.10138	18.0
123.07984	2.3
123.11738	11.7
129.07016	5.4
131.08569	8.8
133.10155	15.2
135.08025	1.8
135.11690	10.3
135.96887	2.0
137.13254	7.7
137.17247	2.0
139.07571	2.2
141.05447	6.3
141.07021	1.8
143.08575	8.7
145.10141	17.3
147.11694	11.0
149.13278	10.8
155.08582	2.9
157.10100	11.9
159.11693	17.1
161.13257	7.8
163.14816	7.7
169.10147	3.8
171.11678	11.8
173.13278	13.8
175.14818	8.0
177.16386	6.5
183.11700	8.1
185.13277	12.0
187.14838	12.0
189.16429	6.0
191.18010	2.2
195.11903	1.6
196.12514	1.8
197.13266	5.0
199.14777	8.4
201.16400	7.1
203.17963	3.7
211.06097	3.3
211.14795	5.7
213.16359	7.1
215.17938	3.6
217.19597	2.4
225.16399	5.0
227.17981	7.0
229.19447	6.0
239.17960	4.1
241.19547	4.6
243.21121	6.4
253.19490	3.9
255.21094	4.7
257.22614	2.6
267.21085	17.3
269.22690	9.4
279.21011	2.4
281.22522	5.0
283.24081	2.0
295.24274	4.1
309.25729	6.0
317.80627	1.8
321.25885	3.2
335.27438	2.5
349.29013	2.9
369.24323	2.4
387.25500	2.4
405.26392	3.7
405.35175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3729
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03931	1.5
55.01861	1.8
55.05510	3.4
57.03434	0.5
57.06826	0.6
57.07081	7.6
65.03931	0.4
65.46778	0.3
67.05505	11.1
67.70390	0.4
68.99790	0.5
69.03439	0.7
69.07053	1.1
70.62482	1.3
71.08276	0.6
71.08633	6.4
75.94714	0.4
77.03864	0.4
77.20586	0.3
79.05487	1.4
81.07056	2.2
83.04971	0.7
83.08612	1.3
85.06577	0.4
85.10175	3.4
91.05488	6.5
93.07048	39.6
95.04966	1.5
95.08611	23.2
97.06520	1.6
98.21066	0.8
101.19739	0.4
104.01266	0.3
105.04521	0.5
105.07024	1.0
106.04124	0.4
107.08607	5.0
109.06498	0.9
109.10146	2.2
111.08084	20.5
119.08583	0.6
121.04477	0.4
121.06502	3.0
121.10162	1.8
125.06031	0.6
125.09637	1.6
127.07526	2.3
131.08516	0.5
133.02657	0.4
133.10100	0.6
135.08089	1.0
135.11661	0.7
139.07550	20.3
149.09641	0.7
151.11270	0.4
153.09113	10.6
157.08611	2.4
163.11140	0.4
167.10698	9.0
180.10219	0.8
181.12239	6.0
191.78221	0.4
195.13840	3.6
209.15372	3.1
223.16960	1.7
237.18469	0.8
251.20114	1.1
265.21689	1.5
279.23212	1.0
293.24704	1.0
307.26541	0.8
335.29321	0.4
349.31094	0.6
387.32358	0.5
405.37311	100.0
406.37677	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	406.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.5
68.99763	0.4
71.57994	0.5
79.05496	3.6
80.05007	1.5
81.03397	0.7
81.07052	1.3
85.02896	0.5
86.09689	0.5
91.05482	49.0
92.05029	0.5
92.05797	0.6
95.04963	1.1
104.05001	3.3
106.06561	3.7
107.04935	1.4
107.07351	1.1
108.04475	1.2
109.06544	2.7
111.04433	0.5
116.04962	1.1
119.04946	22.6
120.04459	1.2
121.02903	0.5
122.02388	0.7
122.06019	1.8
132.04472	4.9
133.05196	1.1
134.06021	9.0
135.04341	0.8
136.03941	0.5
137.05981	62.0
138.06297	1.8
144.04463	5.1
147.04457	0.5
150.05481	2.7
151.06291	1.0
152.07024	1.1
160.03946	23.7
162.05508	23.1
164.07036	1.3
165.05473	3.4
165.07666	0.9
166.05888	0.9
166.08647	2.4
176.07089	4.0
178.05000	15.4
180.06532	3.5
181.04926	1.1
182.05368	0.7
185.13258	0.4
188.03418	0.7
192.06558	37.5
193.06860	0.5
194.08134	61.4
195.08536	0.9
196.06082	2.5
202.05057	0.8
206.04498	3.1
208.09708	0.7
209.10033	0.7
209.15381	1.7
210.07614	4.3
210.09665	0.4
210.10362	0.4
220.06058	9.1
226.10762	3.1
234.08513	0.6
238.07114	66.2
239.07344	0.6
241.64445	0.4
252.08678	8.1
254.10188	0.7
270.09775	5.7
300.10620	0.7
328.09882	0.5
346.11154	1.5
361.36038	0.4
374.12180	2.1
406.14984	100.0
407.15411	2.3
427.75946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1499
Annotation	Isonaamidine D
Peak:m/z	Relative Intensity
65.03941	3.9
71.13260	0.6
71.13590	0.9
79.05492	2.5
80.05022	1.7
81.03430	0.8
81.07066	1.1
91.05486	48.1
95.04992	0.7
104.05000	3.6
105.07019	0.7
106.06557	4.0
107.04931	1.5
108.04492	1.1
109.06536	2.1
116.04974	0.8
119.04949	25.0
120.04492	1.4
122.06042	1.5
132.04471	5.2
133.05261	1.8
134.06029	9.8
135.04407	0.9
136.03976	0.7
137.05983	63.8
138.06331	1.2
144.04434	4.2
150.05531	1.9
151.06267	0.7
152.07036	0.7
160.03951	22.9
162.05515	23.3
164.03572	0.5
164.07088	1.5
165.05504	1.5
165.07838	0.8
166.05844	1.1
166.08669	1.7
168.94960	0.5
176.07074	4.7
178.03433	0.9
178.05005	15.5
180.06584	2.8
181.04977	0.7
185.61787	0.5
192.06569	39.0
194.08142	61.8
196.06039	2.3
202.04941	0.8
206.04532	3.0
208.09668	0.8
209.10063	0.6
210.07646	4.0
220.06059	9.2
226.10667	2.9
238.07114	65.9
239.07301	1.2
252.08717	8.2
270.09735	5.4
328.10040	0.7
374.12274	1.6
380.24350	0.6
406.14999	100.0
407.15250	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	406.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01865	1.7
56.96575	2.8
57.03439	1.3
61.02933	2.1
69.03432	8.0
70.06580	3.8
71.04990	3.1
73.02940	1.8
81.03429	3.7
83.04980	1.2
83.35636	1.0
85.02913	18.9
91.05483	4.1
93.07034	2.2
94.17103	1.0
95.04980	2.7
95.37369	0.9
97.02889	6.8
98.97600	3.1
103.05457	3.8
107.04975	4.2
109.02865	1.9
112.07625	2.8
117.03396	3.5
119.04980	2.0
121.02864	3.2
121.06531	10.9
123.04433	3.9
125.02316	1.5
127.03922	3.4
131.04950	5.8
133.02803	1.6
133.04973	1.0
135.04395	2.3
137.05986	10.5
137.57585	1.4
139.03893	1.5
140.04732	2.3
140.07021	1.3
145.02870	2.5
145.04958	3.4
147.04483	2.8
148.05127	1.7
149.05989	13.9
151.03912	2.2
152.04521	1.9
153.05559	1.0
155.06989	2.0
159.04424	3.6
163.03926	3.4
165.05516	2.0
167.07059	100.0
177.05484	37.0
179.07169	1.1
180.08681	2.5
181.08688	1.5
191.07031	2.5
199.87761	1.0
203.07143	1.3
209.08110	28.5
212.06374	3.0
227.09167	95.4
230.07742	1.2
251.06778	1.6
270.07611	1.3
406.14267	1.5
406.17697	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	406.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77863	11.9
71.08403	30.6
75.44823	13.5
85.76627	12.4
91.97227	13.4
93.07038	12.0
98.21092	18.6
121.06483	60.5
126.98030	12.0
198.75751	14.4
238.76775	12.3
331.06644	12.5
371.44690	15.3
406.23041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
56.96572	0.9
59.04996	0.5
66.00595	0.5
69.03426	0.8
69.07072	0.7
71.56343	0.8
72.04514	1.1
79.05499	0.6
81.30978	0.4
85.02900	0.9
91.05487	5.8
93.07058	9.1
95.04968	2.4
98.97585	0.5
103.05487	6.1
104.82936	0.5
105.04556	0.6
107.08581	0.6
118.76629	0.5
121.06520	100.0
122.06873	0.9
124.07597	1.1
127.07560	0.8
138.05533	0.8
140.10709	0.9
143.08188	0.6
150.05533	4.2
164.07120	1.3
166.05037	6.3
166.08655	2.1
168.06587	13.2
172.69170	0.6
179.14478	0.5
180.06590	1.5
182.08133	3.4
184.09703	6.3
192.10222	1.3
194.08157	2.7
196.09679	0.5
198.11259	3.5
208.09793	2.7
210.11249	0.8
212.09195	15.4
213.09155	0.8
214.09464	0.8
226.10770	5.6
236.09221	4.1
240.04446	0.6
254.10268	33.3
268.11835	3.1
286.10526	1.2
286.13031	1.8
288.12326	0.9
332.14996	1.3
374.15985	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
64.06136	0.6
69.73327	2.6
76.81113	0.5
80.05024	0.5
81.07057	1.0
88.34717	0.6
91.05486	5.8
93.07047	10.6
95.04974	2.3
101.35117	0.6
103.05476	7.3
104.74794	0.6
105.04547	0.9
121.06509	100.0
122.06844	3.6
124.03938	3.7
132.04443	0.9
138.05505	3.3
145.39862	0.6
150.05536	3.3
164.05676	0.9
164.07080	20.5
166.04987	3.8
168.06564	36.3
180.06525	1.3
182.08141	14.0
194.08173	4.9
203.39998	0.7
208.09697	87.8
209.10329	2.3
210.07574	0.9
210.11336	0.7
212.09187	10.2
225.09465	1.0
226.10901	8.7
236.09152	0.7
254.10248	35.9
255.10498	0.8
268.11740	2.8
286.12997	0.8
288.12311	1.2
314.13855	8.1
332.14536	0.9
374.16083	5.8
388.17395	5.3
406.18582	0.8
423.39539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.05515	2.2
57.03437	2.1
60.17210	1.6
61.02926	2.9
67.05505	5.6
69.03436	7.3
69.97507	6.8
70.71078	1.5
71.04995	5.4
78.46537	1.6
79.05492	10.4
81.03429	4.4
81.07063	3.8
85.02912	14.7
91.05479	6.4
93.07047	26.2
95.04978	4.3
95.08595	1.8
97.02893	5.6
97.06525	3.9
97.19487	1.5
99.04462	23.0
101.05997	3.8
102.23701	1.5
105.07032	27.3
107.08598	48.2
109.02901	3.7
109.06525	3.2
109.10160	3.6
111.08093	6.0
113.95143	1.5
114.20412	1.3
117.07021	3.7
119.08582	7.8
121.06508	17.3
121.10143	32.2
127.03917	3.2
129.08891	1.5
130.07814	1.7
131.08597	7.2
133.10101	3.7
135.08034	4.1
135.11702	14.1
137.06009	2.9
137.09613	2.0
138.06395	1.8
145.04942	5.1
145.10126	28.5
147.11674	2.2
149.05991	2.3
149.09602	6.1
163.11188	66.7
164.07095	2.1
164.11475	1.8
173.09645	6.7
175.14812	2.6
180.08615	3.2
181.12253	18.4
182.08160	4.5
185.53870	1.4
191.10680	100.0
192.11006	2.6
194.08231	2.4
208.09662	5.1
209.11749	39.7
209.15346	2.9
211.16867	8.2
227.12794	70.0
245.06070	1.5
313.13559	1.9
353.15967	3.7
406.18045	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	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65583	1.1
55.01868	2.2
57.03428	1.8
57.07065	2.5
61.02897	1.1
67.05502	8.8
69.03412	3.2
69.07079	1.5
70.06585	1.1
70.96034	2.5
71.04996	7.3
73.19671	1.1
79.05499	9.8
81.03426	2.1
81.07054	3.0
83.04981	4.2
84.04494	1.7
85.02914	13.7
85.06551	58.0
91.05478	8.3
93.07049	8.9
95.04953	2.0
97.02888	3.7
97.06538	1.3
99.08071	1.8
105.07039	7.9
107.04947	5.4
107.08607	11.5
109.02865	1.3
109.06512	2.7
111.04451	7.5
113.06017	1.1
117.07031	2.8
117.30179	1.2
119.08574	9.6
121.06493	9.0
121.10158	9.6
123.04453	1.0
125.05998	4.6
127.03905	3.0
129.07013	3.1
131.08572	37.0
135.08069	1.4
135.11688	3.2
137.05946	1.2
137.09595	3.8
139.07521	1.2
143.07065	1.4
145.04932	2.1
145.06471	1.5
145.10135	12.5
146.59291	1.0
147.08058	3.5
147.11752	1.2
149.06046	1.2
149.09634	33.4
155.07021	1.7
156.08368	2.2
162.02179	1.6
163.07611	1.5
163.11214	15.3
165.09152	5.4
167.07011	1.4
167.10703	17.6
168.24397	1.1
173.09663	4.9
179.10643	1.9
191.10686	46.1
197.11795	1.6
209.11748	53.3
209.67220	1.1
225.76091	1.2
227.12788	100.0
228.13176	1.4
259.11008	5.9
259.48743	1.1
267.35260	1.1
406.17001	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.4
67.05507	2.3
69.07077	1.4
71.04974	5.7
71.57961	2.2
81.07057	2.5
83.04961	5.2
83.08617	8.0
85.02916	2.2
85.06516	1.8
91.05492	2.0
93.07026	3.3
95.04975	99.7
95.08633	1.5
97.06546	3.4
99.04453	17.6
105.07013	1.5
107.08581	4.1
109.06537	2.1
109.10149	4.5
111.08080	3.3
119.08558	1.5
121.06532	7.2
121.10133	3.2
123.11716	1.7
125.09619	2.1
127.03859	1.4
133.10147	7.5
135.08067	1.6
137.05963	4.9
138.06258	1.3
147.11685	2.2
149.13231	2.0
151.03880	2.2
151.11174	13.6
152.04173	1.7
153.09119	27.9
167.07048	2.8
167.14317	17.4
173.13281	3.3
182.94344	1.5
191.14287	4.3
206.84412	1.3
209.15378	100.0
212.09024	2.4
225.06708	1.5
226.06915	3.8
226.10577	2.2
227.16386	5.6
239.08002	2.4
240.08517	6.7
245.73622	1.9
246.13168	3.9
254.10049	4.7
268.07913	3.3
272.11188	1.6
282.09503	4.5
284.10968	1.6
300.10623	7.0
310.09106	7.7
318.67685	1.7
328.10178	12.2
330.11301	3.3
345.10764	2.8
346.11206	19.8
353.36844	1.4
371.20746	3.1
373.10138	1.9
374.10645	25.2
404.11206	1.3
406.13287	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.05509	13.1
57.03436	3.4
57.07058	2.4
61.02916	3.0
65.03922	2.1
65.81669	1.6
67.05489	5.0
69.03424	7.2
69.07058	7.5
70.06576	2.9
71.57661	2.4
79.05500	8.6
81.03424	3.2
81.07052	22.8
81.20367	1.8
83.04978	13.0
83.08621	11.9
85.02908	17.4
85.06541	3.9
87.04462	2.2
87.51747	1.7
91.03974	1.7
91.05482	12.7
93.07033	11.7
95.04978	10.9
95.08617	13.6
97.02881	6.4
97.06538	11.8
99.04428	4.0
105.07030	18.7
107.08585	21.8
109.02876	2.0
109.06522	24.8
109.10165	29.3
111.08083	6.3
115.07561	2.3
116.08106	1.8
117.06988	2.5
119.08578	21.0
121.10147	23.7
123.08097	3.6
123.11695	7.0
125.09631	6.7
125.56507	1.7
127.03918	2.4
127.84229	1.6
131.08540	11.0
133.10136	52.8
135.08044	5.9
135.11717	3.5
137.05965	7.1
137.09647	2.6
139.11172	3.2
143.08554	2.0
145.04985	6.9
145.10133	7.5
147.11685	19.2
149.13223	12.3
151.11205	15.1
152.04190	2.2
153.09088	7.4
155.83984	1.7
158.10910	5.5
163.14815	3.8
165.12718	4.4
167.14325	18.7
168.07382	2.0
173.13290	24.0
174.58836	1.8
175.13293	3.3
175.14832	63.7
181.04973	8.1
181.15872	2.2
182.05328	2.7
189.09212	2.0
191.14294	30.6
193.15872	16.2
209.15363	100.0
227.16443	14.3
233.08066	1.9
262.78308	1.7
335.69144	1.9
388.14505	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.5
55.01876	3.0
55.05512	17.5
56.10345	2.0
57.07064	2.7
60.44068	2.1
65.03932	2.3
67.05502	7.3
69.03426	7.9
69.07076	10.3
70.06576	3.1
70.08775	10.0
71.04970	3.0
74.24131	2.0
79.05497	7.0
81.03468	2.2
81.07059	20.1
83.04986	14.9
83.08613	12.7
85.02910	24.6
85.06550	5.0
86.09708	2.5
90.95300	2.2
91.05494	9.3
93.07061	16.1
95.04986	15.0
95.08632	12.7
97.02902	5.6
97.06539	8.1
97.10165	3.1
99.04436	2.8
102.22525	2.1
105.07038	23.6
107.08588	21.8
109.06520	27.5
109.10160	35.9
111.08075	7.0
115.07604	3.7
119.08588	26.3
121.06528	3.2
121.10162	22.7
123.08086	5.6
123.11711	6.7
125.09644	7.6
127.03961	2.6
131.08580	11.0
133.10136	57.8
133.11082	4.3
135.08072	5.2
135.11700	4.3
137.05997	5.1
137.09602	2.6
137.13188	2.1
139.11180	2.8
145.05000	7.9
145.10106	5.9
147.11681	20.4
149.13271	13.2
151.11206	17.4
153.09142	9.3
158.10892	3.0
163.14874	6.9
165.12912	3.5
167.07022	2.1
167.14307	21.2
168.07458	3.3
173.13290	30.4
175.14841	65.2
181.05031	4.1
181.15747	2.3
182.05351	7.3
182.12863	2.0
191.14317	34.9
193.15875	16.0
209.15378	100.0
211.06300	2.3
227.16425	15.5
273.55911	2.4
388.14752	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.05503	11.8
57.03425	2.9
57.07069	3.5
59.89104	1.7
61.02918	2.7
67.05495	7.8
69.03437	10.2
69.07057	6.4
69.74206	1.7
70.06599	2.8
70.24564	3.9
70.24959	4.2
71.04980	3.8
79.05491	5.1
81.03400	2.2
81.07065	19.8
82.16675	1.7
83.04971	12.8
83.08621	10.5
84.08134	2.2
85.02911	19.4
85.06525	4.8
87.04477	2.6
91.05485	9.2
93.07060	12.2
95.04977	11.3
95.08629	10.3
97.02872	4.1
97.06532	9.5
99.08083	2.4
105.07036	17.7
107.08591	21.5
109.06528	22.7
109.10162	21.4
111.08073	4.1
115.07567	3.4
119.08585	23.1
121.10159	24.8
123.08047	4.3
123.11708	7.5
124.22829	1.8
125.02363	2.0
125.09618	5.4
127.03935	3.5
131.08598	11.1
133.10139	47.1
135.08043	7.3
135.11757	3.1
137.05969	5.4
139.11113	1.9
145.04977	6.7
145.10175	5.1
147.11676	15.7
149.13286	13.3
151.11208	17.2
153.09151	8.4
158.10916	3.8
163.11154	1.7
163.14841	5.3
165.12761	4.4
167.07056	4.7
167.14297	18.3
168.07347	2.6
171.10164	1.9
173.13277	25.4
175.14836	60.4
181.04977	7.5
181.15924	2.3
182.05315	5.2
191.14302	32.6
193.15875	16.3
209.15381	100.0
227.16382	13.4
233.08199	2.5
234.08516	2.7
379.87775	1.8
388.14737	2.4
406.17776	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	407.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84034	2.9
53.03936	4.2
55.01869	4.5
55.05499	3.7
56.80136	2.7
56.96566	22.2
57.03417	12.3
57.15781	2.9
59.04983	4.0
61.02911	11.3
68.37680	2.8
69.03129	3.3
69.03439	34.2
70.06562	3.7
70.12571	13.0
71.04980	8.5
72.08135	3.8
73.02901	10.2
74.74973	2.7
81.03403	10.1
81.04533	3.5
81.07091	4.3
84.08146	5.1
85.02914	73.5
86.09705	4.7
87.04459	8.4
89.03906	8.3
91.05476	9.4
95.04985	3.5
97.02901	43.9
98.20743	3.6
98.97587	64.4
99.04451	6.7
101.00861	11.5
102.96868	5.5
103.05472	3.1
107.04945	8.7
109.02877	9.5
110.97563	10.8
112.99116	5.4
113.00893	4.6
113.02308	4.1
115.03923	5.9
116.98648	18.7
117.03360	6.5
119.01950	20.5
119.04934	12.4
121.01650	4.5
121.06490	5.4
124.02711	3.1
124.99134	4.5
127.03941	16.5
127.04808	3.6
128.98602	13.1
131.00180	6.0
131.01846	9.9
131.04831	3.1
133.03436	9.0
133.04955	7.1
134.99631	8.1
135.04387	13.0
137.05984	31.2
143.00146	9.8
143.01894	12.9
145.01744	5.0
145.03461	9.9
145.04959	12.5
146.99664	6.4
147.04370	24.4
149.02861	2.9
149.05946	2.9
153.05736	5.5
155.01863	12.9
156.02637	2.8
157.03442	13.2
158.08101	5.9
158.99608	15.0
161.01172	9.0
161.02972	13.8
163.02788	3.4
163.03917	62.8
164.04265	3.7
165.05484	4.5
167.06999	10.7
169.03369	5.3
170.99664	8.2
171.01259	4.4
171.05055	4.7
172.99232	3.8
173.01399	3.9
173.02943	18.7
173.06573	4.6
175.04506	6.5
177.00722	8.1
177.02313	4.2
177.04091	4.9
179.02142	4.9
179.07011	11.4
181.03416	3.3
185.01306	6.7
185.02985	9.4
185.06580	5.4
187.04485	5.8
189.00682	6.7
191.03865	4.7
195.04912	3.8
197.03355	3.8
197.06627	3.3
201.00739	4.4
203.03989	7.3
203.07619	5.8
205.05539	9.1
206.09853	3.5
213.04430	4.1
215.04042	3.5
215.07701	5.0
219.01790	28.9
219.05128	5.2
219.07869	3.8
221.03267	10.4
221.05072	12.2
225.06154	3.6
226.05975	2.9
235.06657	5.6
237.02791	26.9
239.04289	12.7
240.04463	3.5
245.05022	8.0
245.14828	3.7
249.02754	5.0
253.03841	3.7
257.05118	3.6
258.17279	3.1
259.06433	7.8
267.03812	3.9
267.07077	3.2
275.04150	3.9
277.07776	3.5
281.08838	3.5
289.07483	11.3
293.05414	8.0
293.10519	3.0
301.07657	4.4
305.10684	17.8
311.47650	2.9
315.60239	3.1
317.08990	4.4
329.31506	3.0
333.02866	4.3
347.08084	11.5
363.02234	4.0
403.06851	3.0
407.09409	100.0
407.14767	8.9
407.20288	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	407.1529
Annotation	Pamapimod
Peak:m/z	Relative Intensity
69.03423	0.8
71.07870	0.3
71.08188	0.4
85.02910	1.1
86.09711	0.4
91.05483	0.5
92.41486	0.4
97.02901	0.5
98.97589	0.7
108.46554	0.4
111.04494	0.3
123.04425	0.4
127.03927	0.4
135.04442	0.3
137.06038	0.5
139.03850	0.3
151.03946	0.5
163.03940	1.5
165.05536	0.6
167.07111	0.4
167.75858	0.3
219.01743	0.6
227.09215	0.5
244.98003	0.3
245.10222	0.4
259.69040	0.3
260.10422	0.3
275.11075	3.0
398.65585	0.4
407.15256	100.0
408.15323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1542
Annotation	Caryoptoside
Peak:m/z	Relative Intensity
53.03926	2.0
56.96556	1.2
57.03433	1.9
61.02913	1.6
65.03947	1.0
69.03438	9.6
70.06570	1.6
71.57541	2.0
73.02908	1.4
79.05488	1.7
79.60863	1.0
81.03430	1.8
81.07068	3.1
83.04969	3.8
85.02917	13.7
87.04491	1.4
91.05478	5.6
93.07056	9.9
95.04956	2.1
97.02906	5.6
98.97578	2.3
99.04471	1.7
103.05475	3.0
105.07037	12.5
107.04963	2.5
109.02879	3.2
109.06507	1.8
113.67022	1.1
119.04941	3.3
121.06513	13.1
123.04422	1.7
123.08053	1.2
127.03945	2.5
135.04495	1.6
137.05974	5.2
139.03918	2.6
139.07581	2.3
140.07025	1.2
145.04971	2.8
147.04486	1.2
149.05992	22.3
151.03915	4.5
151.07520	4.5
163.03894	1.7
163.07578	2.4
165.05473	2.8
166.81660	1.0
167.07060	16.0
171.51653	1.2
175.04245	1.2
177.05489	15.5
181.08684	1.8
195.06548	24.2
209.08112	7.9
211.09634	2.4
213.07582	12.8
219.01801	1.3
227.09209	17.9
228.56892	1.2
229.10593	1.8
234.07292	1.1
245.10257	8.7
272.56061	1.3
275.11011	5.3
371.04214	2.6
407.10489	3.4
407.15240	100.0
408.15460	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03946	1.8
69.42455	0.8
69.42873	1.1
75.04481	0.3
77.03927	0.6
79.05462	0.3
80.46767	0.3
81.07070	0.3
83.04987	0.3
86.09709	0.3
91.05482	5.9
93.06466	0.5
93.07049	8.2
95.04966	1.6
95.08600	0.4
98.97575	0.5
101.19160	0.2
103.05470	6.6
105.04504	0.7
105.07038	0.5
106.37871	0.2
107.08598	0.3
109.10085	0.2
121.06511	100.0
122.06858	0.6
135.04425	0.5
145.10031	0.3
149.02339	0.6
153.05495	0.3
158.99649	0.6
163.03893	1.1
167.07054	0.7
173.13344	0.3
175.06596	0.2
181.04959	0.8
183.21046	0.2
195.06549	3.0
201.32845	0.2
209.08118	1.0
237.07573	0.7
255.08757	1.2
269.10242	1.0
354.18808	0.3
407.24878	0.3
407.33063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1889
Annotation	Pro Gln Tyr
Peak:m/z	Relative Intensity
56.96565	2.2
57.03427	1.8
58.09484	0.4
61.02929	1.4
69.03428	4.0
70.06608	0.8
70.09627	1.8
71.04994	1.0
73.02917	1.8
81.03435	1.4
81.07051	1.5
84.08092	0.5
84.96065	0.6
85.02915	8.4
87.04475	0.5
89.03908	0.6
91.03927	0.5
91.05486	1.3
92.53404	0.4
93.07043	1.3
95.08624	0.6
97.02893	3.2
97.06506	0.5
98.03204	0.5
98.97597	4.7
99.04440	0.7
101.00868	1.0
103.02465	0.5
107.04961	0.8
107.08665	0.5
109.02872	0.8
109.10130	0.9
110.97575	0.8
112.07600	0.5
115.02460	0.4
116.98625	1.2
119.01908	1.5
121.01755	0.5
121.06518	7.0
122.02718	0.4
122.04973	0.5
122.06835	0.9
123.04440	3.7
124.04763	1.4
126.05502	0.5
127.00719	0.8
127.03951	2.5
128.98598	0.6
129.03069	0.5
129.03976	1.0
130.08678	1.4
131.00168	0.5
131.01904	0.9
131.05510	0.9
133.03491	1.3
134.03743	0.4
135.04440	1.0
137.05992	2.1
141.02185	0.4
143.00189	0.6
143.01976	0.8
145.03584	0.7
145.04974	1.9
147.03395	0.5
147.04373	0.5
151.11227	0.6
155.01933	0.8
155.04665	1.1
157.03545	0.6
157.07094	0.7
158.99702	1.7
159.03270	0.7
161.02971	1.2
163.02711	1.0
163.03873	4.1
165.05489	0.5
167.08527	0.4
169.12204	0.7
170.99637	0.9
173.03062	0.7
173.04730	0.4
173.06589	1.0
175.04482	0.8
175.08150	0.9
177.00757	1.2
179.04683	0.7
181.60809	0.4
183.08759	0.7
184.05795	1.0
185.06622	0.7
187.04430	0.5
187.13278	0.7
194.07056	0.8
197.10316	0.9
199.06439	3.6
201.09850	1.4
203.04036	0.9
203.07509	0.6
204.09227	0.7
209.10309	0.8
212.07896	1.7
214.07535	0.4
215.11299	3.5
217.07451	3.2
219.01875	1.1
221.05159	1.2
221.08632	1.0
223.06552	0.6
227.11244	4.0
229.03830	0.4
236.06313	2.0
236.56369	0.5
237.02872	1.0
243.09050	0.6
245.05072	0.8
245.12215	2.4
247.10753	0.4
248.11047	1.2
249.12552	1.1
257.08002	1.0
257.11520	5.4
257.61752	1.3
261.10104	0.8
263.13464	1.5
265.07800	1.0
269.12280	0.5
279.11176	2.5
302.11337	0.8
305.14474	1.1
339.07642	0.5
347.15570	0.7
357.08566	1.2
359.11826	0.6
389.17868	0.7
407.18909	100.0
408.19040	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2408
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
53.03928	0.5
55.01879	0.4
55.05510	0.8
56.96575	0.6
57.07074	0.7
61.02893	0.4
67.05502	1.5
69.07056	1.2
70.06586	1.5
70.94433	0.8
79.05489	1.3
81.03425	0.9
81.07056	2.1
84.08120	0.4
91.05498	1.4
93.07055	2.0
95.04976	0.6
95.08610	1.5
97.10233	0.5
98.97591	1.0
103.05445	0.7
105.07035	1.6
107.08596	1.5
109.10168	0.8
116.98598	0.5
119.08581	1.5
121.06537	1.9
121.10128	0.7
123.11663	0.6
127.06355	0.4
130.10797	0.4
131.08556	1.0
133.10127	0.9
135.08080	0.5
137.09630	0.5
143.08549	0.6
145.10143	1.0
149.09550	0.5
155.08546	0.6
157.10156	1.0
158.99693	0.6
159.11644	0.8
164.07117	0.9
171.11691	0.5
173.05956	0.7
175.14902	0.5
181.10231	0.6
187.07579	1.2
215.70329	0.4
241.07645	0.4
267.09186	0.4
285.10062	0.6
300.29034	1.1
301.29291	2.3
309.16599	0.6
345.31787	1.0
367.89725	0.5
371.22226	6.7
389.23392	1.1
406.35068	0.7
407.24066	100.0
407.35654	7.8
408.24496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2408
Annotation	Bakkenolide H
Peak:m/z	Relative Intensity
55.05516	0.5
56.96563	0.7
63.17735	0.4
69.07069	1.0
69.89806	1.1
69.90203	0.9
73.02884	0.5
77.03893	0.4
79.05508	1.0
81.07059	1.8
85.02899	0.7
91.05491	0.7
93.07059	1.3
95.08601	1.0
98.20857	0.9
98.21415	0.6
102.11958	0.4
105.07050	1.1
107.08616	0.6
109.10146	0.6
119.08567	0.7
121.06548	2.0
121.10138	0.6
123.05865	0.5
135.11679	0.6
143.08563	0.7
145.10207	0.5
157.10182	0.6
164.07097	1.2
169.10204	0.4
185.13277	0.6
187.14890	0.5
205.15718	0.4
222.97141	0.4
241.19275	0.4
260.45331	0.5
301.29221	0.8
309.16705	1.2
325.16315	0.7
329.14423	0.5
347.15271	1.3
365.16394	1.3
371.22449	0.5
407.24072	100.0
407.35376	2.4
408.24359	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2793
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
53.00294	0.4
53.03947	4.9
55.01872	0.9
55.05512	15.1
57.03438	2.3
57.07064	0.3
61.02928	12.1
65.03944	1.5
67.05506	11.5
69.03432	96.9
69.07058	2.5
69.47702	1.9
69.48102	0.7
70.03746	0.5
71.04996	7.8
72.17092	0.4
79.05495	5.8
81.03424	8.4
81.06575	0.8
81.07059	13.2
83.04984	49.5
83.08639	2.1
85.02914	4.6
85.06531	0.5
87.57899	0.4
91.05477	3.9
93.03400	0.4
93.07043	8.3
93.20306	0.4
95.04966	1.1
95.08609	10.9
97.06544	0.6
97.10168	1.0
99.04459	22.9
105.07037	4.1
107.08601	5.7
109.10164	5.2
111.04445	20.0
111.08067	0.6
113.06023	0.5
117.07014	1.3
119.08595	3.7
121.10139	3.9
121.10934	0.4
123.08126	0.4
123.11697	2.3
127.03948	0.5
129.05482	100.0
131.08556	3.3
133.10155	2.9
135.11694	4.2
137.13240	1.0
143.08571	1.0
145.10112	3.2
147.11671	1.7
149.13263	1.8
155.83206	0.4
157.10117	0.9
159.11710	2.6
161.09674	0.5
161.13242	1.8
163.11340	0.4
163.14890	1.2
169.10121	0.5
173.13274	2.5
175.14879	1.3
177.16388	0.7
183.11667	0.7
185.13292	1.4
185.95442	0.3
187.14848	2.2
189.16389	0.7
191.17984	0.5
199.14883	0.8
201.12799	0.4
201.16406	0.6
203.14297	1.1
203.17990	0.4
211.14864	0.4
213.16325	0.4
215.17986	0.4
243.21159	1.5
253.19695	0.4
261.22177	4.7
279.23242	0.5
311.23654	0.4
353.24808	0.7
371.25769	0.8
389.26880	1.1
389.31927	0.7
407.28015	29.2
407.33148	4.5
408.28397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03951	1.6
55.05508	0.7
56.96553	0.3
57.03442	0.2
65.00182	0.2
65.03921	0.3
67.05502	1.5
69.07070	0.9
71.04939	0.2
77.03931	0.3
79.05501	1.1
80.07870	0.2
81.03393	0.4
81.07059	2.1
83.08615	0.4
91.05489	6.0
93.07053	10.0
95.04980	1.3
95.08617	2.0
97.10165	0.2
103.04788	0.4
103.05476	6.2
105.04518	0.8
105.07037	0.8
107.08595	1.0
109.06493	0.3
109.10185	1.1
111.86573	0.2
117.07030	0.2
119.08582	1.1
121.06515	100.0
122.06850	0.6
123.11730	0.4
131.08586	0.5
133.10133	0.7
135.11737	0.4
143.08563	0.4
145.10132	0.7
147.11694	0.4
149.13261	0.2
154.94180	0.4
157.10106	0.3
161.13228	0.3
164.07091	1.9
169.10069	0.2
172.95300	0.5
173.13260	0.4
185.13353	0.2
189.12839	0.2
201.16473	0.3
233.19055	0.5
251.20076	2.4
255.01784	0.2
263.96829	0.2
269.21115	1.4
270.11447	0.3
291.29156	0.2
316.99554	0.2
344.15094	0.2
344.82083	0.2
389.23370	0.3
407.23981	1.0
407.33118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05506	6.9
56.00170	0.7
56.96560	4.6
57.07067	1.6
65.03956	0.9
66.36770	0.9
67.05505	11.9
69.03410	3.2
69.07073	11.1
69.86584	1.7
69.87001	2.8
69.99941	0.8
79.05495	10.9
81.07056	30.8
83.04979	3.3
83.08630	5.2
88.04104	0.7
91.05488	13.1
93.07044	22.7
95.04952	1.9
95.08607	38.0
97.06516	0.9
97.10168	3.1
101.12514	0.7
104.83938	0.8
105.06302	0.9
105.07029	28.0
107.08597	34.6
109.06516	1.8
109.10159	25.0
111.08076	3.2
111.11752	1.1
117.07034	4.8
117.07722	0.9
119.04945	1.3
119.08584	32.8
120.80542	0.7
121.10140	24.6
123.08063	3.7
123.11716	10.5
125.09651	4.8
128.06227	1.3
129.07007	3.3
130.07788	1.7
131.08565	17.6
133.10129	21.3
135.08073	3.9
135.11687	11.8
137.09619	1.7
137.13222	2.5
141.06923	0.8
142.07791	1.9
143.08575	9.9
145.10129	31.5
147.04417	3.3
147.07993	1.1
147.11687	14.5
149.09616	0.9
149.13251	15.7
151.11171	1.3
155.08585	3.7
156.09367	2.6
157.10130	11.2
158.10873	1.8
159.08078	1.1
159.11691	19.8
160.12399	1.0
161.09622	1.7
161.13251	11.4
163.11209	1.9
163.14818	14.9
165.12663	1.7
165.16345	1.8
169.10130	6.2
170.10905	1.2
171.11658	9.3
172.12511	1.5
173.13252	17.6
175.11272	1.5
175.14839	15.3
177.12846	1.0
177.16391	12.9
179.08636	1.0
179.14221	1.0
181.10152	1.8
182.10986	0.7
183.11700	7.0
185.13249	8.4
187.14827	48.0
189.12682	1.0
189.16371	19.3
189.88594	0.9
191.14337	2.9
191.17938	4.6
193.01665	2.2
193.15860	0.9
195.11688	2.5
196.12608	0.7
197.13217	5.3
198.14064	0.8
199.14799	11.1
201.12764	1.4
201.16396	15.8
203.14384	2.0
203.17943	9.3
205.14244	0.8
205.15952	3.2
205.19429	1.5
206.99600	1.2
209.13222	2.1
211.02812	5.8
211.14772	4.6
213.16377	15.5
215.14404	2.4
215.17966	14.5
217.15938	6.8
217.19469	4.3
220.97604	1.0
221.13202	1.0
223.14830	1.9
224.15141	0.8
225.00706	1.9
225.16281	4.4
227.17943	6.2
229.03854	1.0
229.15926	2.4
229.19481	4.5
231.17473	2.8
231.21060	1.5
233.19049	3.2
234.04407	1.6
237.00700	1.8
237.16423	2.6
239.17935	5.6
240.91177	0.9
241.19536	8.8
243.17523	2.1
243.20967	3.6
245.19026	1.1
251.18005	3.0
253.19632	4.7
255.17479	0.9
255.21136	5.5
257.19205	1.7
257.22720	1.4
259.20731	1.2
265.19525	2.7
267.21100	8.6
269.19144	1.9
269.22577	1.7
271.20355	1.0
273.02994	1.1
273.93311	0.9
277.19501	1.1
279.21265	2.1
281.22534	1.3
283.20575	3.1
283.24020	1.3
285.25787	0.8
293.22650	2.2
295.24228	1.9
297.22198	1.5
305.22659	0.9
307.24280	1.4
311.23807	4.7
311.27075	0.8
319.24112	1.9
333.25812	1.6
335.27402	1.3
337.25317	1.2
347.26932	1.2
349.28961	3.0
379.33652	1.6
380.87000	0.8
389.32071	17.3
407.33090	100.0
408.33389	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01865	0.7
55.05508	6.8
56.96563	1.1
57.07069	1.5
59.04990	0.6
65.03933	2.7
66.79550	0.5
67.05505	10.2
69.03429	1.9
69.07076	7.3
69.51247	2.8
69.51656	0.9
71.04992	0.9
71.08620	1.0
76.46436	0.5
77.40279	0.6
79.05492	8.3
81.06577	1.1
81.07058	20.7
83.04996	2.8
83.08607	4.0
84.04491	1.9
85.02910	0.5
91.05483	37.0
93.07046	17.9
95.04984	1.5
95.08610	29.5
97.06525	1.2
97.10147	1.7
98.20742	1.0
98.97588	1.0
99.08112	1.3
103.05448	0.7
105.04424	0.5
105.07035	22.3
107.08598	24.7
109.06515	3.2
109.10157	16.7
111.08073	2.5
111.11666	0.7
111.31714	0.5
115.05500	0.9
117.07018	3.4
119.04955	13.6
119.08584	26.3
121.06511	3.2
121.10140	20.0
123.08036	1.5
123.11713	8.9
125.09633	3.9
128.06235	1.6
129.07028	3.5
130.04990	1.3
130.07800	0.9
131.08566	16.1
133.10136	17.3
135.08066	1.0
135.11702	9.1
137.05980	100.0
137.09517	2.9
137.13240	1.9
138.06363	1.0
138.97182	0.5
139.11194	1.0
142.07722	0.8
142.70390	0.5
143.08566	11.3
144.09328	1.6
145.10127	26.3
147.04417	0.6
147.07907	0.8
147.11685	11.4
149.09679	1.0
149.13278	9.1
151.07579	0.5
151.11195	3.0
153.12779	0.7
155.08559	2.5
156.09341	1.9
157.10104	9.1
158.10910	2.0
158.99609	0.6
159.08069	0.8
159.10432	1.2
159.11699	14.2
161.09694	0.9
161.13243	7.6
163.11209	1.1
163.14819	8.1
164.07083	3.1
165.12721	1.4
167.08501	0.7
168.09428	0.5
169.10178	4.3
170.10922	1.0
171.11684	8.5
172.12434	1.0
173.11748	0.9
173.13252	18.1
175.11208	0.6
175.14832	9.9
177.12766	1.0
177.16382	7.0
179.08501	0.6
181.10120	0.9
182.10829	0.7
183.11708	3.9
184.12404	0.9
185.09552	0.6
185.13297	6.6
187.14824	39.2
189.16386	9.0
191.14320	3.6
191.17953	1.8
193.15878	0.9
195.11732	1.7
197.13263	4.4
199.14836	10.7
201.12766	0.7
201.16385	11.6
203.14435	0.9
203.18025	4.3
205.15857	3.0
205.19411	0.8
207.17542	0.8
209.13235	2.4
211.14824	3.9
213.16397	20.6
214.17084	1.2
215.14421	0.8
215.17957	13.5
215.19884	1.1
217.15904	3.4
217.19496	3.3
219.17386	0.9
221.13271	0.8
222.76918	0.6
223.14783	2.1
225.16356	3.9
227.17955	3.5
229.15868	1.2
229.19504	1.9
231.17441	2.2
233.19028	1.7
237.16393	2.1
239.18051	4.7
241.19557	6.3
243.21100	2.9
251.17964	1.3
253.19579	3.3
255.21138	5.6
257.18985	1.4
263.17978	0.9
265.19611	1.9
267.21057	6.9
269.18979	1.0
269.22598	1.5
277.19461	0.8
279.21173	1.5
281.22644	1.8
283.20554	2.0
283.23843	1.0
284.12833	0.5
293.22623	1.0
295.24030	0.8
297.22214	0.8
305.22491	0.7
307.24207	0.7
311.23734	2.1
333.25580	1.3
335.27148	1.3
337.25266	0.8
347.27127	0.7
349.28894	1.7
379.33624	1.5
389.27081	0.9
389.32001	11.5
407.24994	6.3
407.33066	63.8
408.33429	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.9
56.96566	2.0
57.07059	2.9
67.05505	12.3
69.06720	1.1
69.07072	14.9
71.50336	1.3
77.03909	1.2
79.05500	9.6
81.07053	19.9
83.04993	2.5
83.08627	6.1
85.06545	1.4
85.80933	0.7
91.05480	14.0
93.06467	1.3
93.07047	21.9
94.04177	0.8
94.64510	0.8
95.04980	1.5
95.08612	40.8
97.06519	1.2
97.10170	2.7
97.73245	0.8
98.05048	0.7
99.08079	1.9
103.05460	1.0
105.07034	28.2
107.08597	44.4
109.06514	1.8
109.10165	22.5
111.08105	1.3
115.05447	0.8
116.06226	0.9
117.07034	6.1
119.08585	56.4
121.06526	1.8
121.10151	39.7
122.03664	1.7
123.08060	1.6
123.11703	9.7
129.07014	3.0
130.07805	2.2
131.08560	25.9
133.10141	30.9
135.08080	2.5
135.11707	18.3
137.05988	23.7
137.09631	3.9
137.13266	3.2
142.07779	1.2
143.08551	7.7
144.09291	1.6
145.10127	50.1
147.04439	0.9
147.08092	0.8
147.11684	17.9
149.09601	1.5
149.13268	13.8
151.11191	1.8
155.08574	2.1
156.09358	2.3
157.10139	8.2
158.10922	2.4
159.11703	34.2
160.12454	0.9
161.09586	0.9
161.13251	13.8
163.11174	22.5
163.14841	11.3
169.10173	4.3
170.10884	2.3
171.11699	10.6
172.12468	2.2
173.13268	31.6
175.13293	1.4
175.14836	28.9
177.12767	1.5
177.16393	28.0
183.11700	5.7
184.12459	1.0
185.13252	10.2
186.14087	1.4
187.14832	60.0
188.15149	1.6
189.16377	18.7
191.14351	2.3
191.17953	5.4
195.11584	0.9
197.13269	4.2
199.14807	10.1
201.12848	1.8
201.16393	60.8
202.16678	1.6
203.14330	2.0
203.17973	8.9
205.15883	100.0
206.16208	1.3
207.17430	8.9
209.13356	1.3
211.14828	2.8
213.16402	9.9
215.14378	1.8
215.17993	5.6
216.12650	0.9
217.15833	2.5
217.19621	2.4
219.17458	2.0
223.14787	1.2
225.16414	2.4
226.11101	5.1
227.17946	4.5
229.19551	2.9
231.17493	2.4
233.19031	2.9
237.16396	1.6
239.17934	1.9
241.19540	2.6
243.21138	1.7
253.19621	1.7
254.53835	0.8
255.21080	1.1
256.01315	1.9
267.21194	0.9
305.22278	1.1
311.23746	1.3
313.25290	1.4
335.27322	1.7
337.25308	1.1
344.15381	2.0
351.26883	0.9
377.30920	0.8
389.31985	8.2
407.14792	10.2
407.33078	78.5
408.33487	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.01866	0.8
55.05513	7.1
57.07074	2.1
65.03932	1.7
67.05511	13.9
68.71353	0.6
69.07077	13.0
70.62495	1.3
71.08598	0.8
77.03941	0.8
77.53826	0.8
79.05498	11.4
81.07063	27.5
83.08623	4.0
85.06554	0.8
90.05544	0.8
91.04974	1.1
91.05488	14.7
92.05803	0.9
93.06475	1.5
93.07050	25.8
95.04980	1.1
95.08613	46.7
97.06541	1.7
97.10172	2.9
99.08084	4.4
99.48380	0.7
103.05466	1.6
105.04533	1.0
105.07038	35.2
107.08604	30.8
109.06525	0.8
109.10164	24.8
111.08085	3.6
111.11775	0.7
115.05524	0.9
116.06205	1.1
117.07029	5.7
119.04904	1.2
119.08589	38.7
121.06534	0.9
121.10150	24.6
123.11721	9.3
125.09634	1.1
128.06186	1.2
129.06998	3.9
130.07782	1.3
131.08574	20.8
133.10136	19.2
133.43221	0.7
135.11699	14.4
137.05972	5.1
137.13255	2.7
138.06320	2.1
139.06534	0.9
139.11203	1.4
141.06993	1.3
142.07793	2.0
143.08553	11.8
144.09360	2.1
145.10135	37.0
145.11296	1.8
146.10767	0.8
147.11694	21.8
148.12331	0.6
149.13268	13.9
151.07539	1.0
151.11186	1.2
151.14790	0.8
155.08534	4.9
156.09344	2.6
157.10139	13.9
158.10904	1.7
159.11705	23.4
161.13261	16.1
163.11140	1.0
163.14836	7.9
165.05521	1.1
165.12779	1.5
167.08527	1.1
168.09395	1.2
169.10138	8.5
170.10922	2.6
171.11700	17.3
172.12511	1.2
173.13275	28.0
174.13832	0.9
175.14838	10.9
177.16405	11.7
180.06575	9.7
181.10168	2.5
182.10941	1.6
183.11703	9.6
184.12502	1.2
185.13271	14.1
187.14832	33.4
189.16417	10.7
191.14395	0.9
191.17932	3.7
195.11749	2.9
196.12473	1.0
197.13268	8.9
198.14175	0.8
199.14828	13.5
201.16397	19.7
203.14392	1.1
203.17950	7.1
205.15884	7.7
205.19510	1.5
207.11757	0.9
207.17436	1.7
209.13239	4.3
210.14020	1.2
211.14815	10.9
213.16406	11.4
215.17981	6.0
217.15944	3.3
217.19510	3.1
219.17509	1.5
221.13200	1.5
222.07666	0.9
223.14822	3.2
225.16399	6.7
226.16914	0.8
227.17943	6.9
229.15964	0.9
229.19484	3.3
231.17421	1.2
233.19046	2.9
235.14766	1.1
237.16437	4.0
239.17938	7.8
241.19514	6.9
243.21175	1.4
245.18907	1.2
249.16107	1.2
251.17984	5.0
253.19481	8.4
255.21040	3.7
263.17966	0.9
264.03464	0.8
265.19522	3.0
267.21103	7.5
269.19104	1.0
269.22681	1.9
277.19580	0.9
279.21066	2.3
281.22693	1.6
285.22186	1.0
293.22568	2.4
295.24371	1.5
297.22107	1.6
299.23767	0.9
307.24161	1.1
311.23730	2.3
319.24161	2.8
333.25861	1.2
335.27356	5.6
337.25180	1.9
347.27350	0.8
349.28998	4.1
351.26746	1.5
365.17065	2.1
389.32062	12.2
407.18262	11.0
407.33069	100.0
408.33340	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	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05302	0.7
55.05511	7.9
57.07055	2.0
62.13980	0.6
65.03925	1.2
67.05502	13.7
69.03387	0.7
69.06719	0.9
69.07066	12.1
69.83949	3.4
75.12037	0.6
77.03931	1.0
79.05495	9.5
81.07058	29.7
83.04970	0.7
83.08600	3.6
91.05473	14.9
93.07046	27.0
94.07339	0.7
95.04953	1.9
95.08607	45.5
97.06508	1.5
97.10164	2.4
99.08080	4.2
103.05476	1.4
105.04543	0.6
105.07030	31.0
107.08592	31.7
109.06494	1.4
109.10157	23.1
111.08085	4.9
111.11658	1.0
115.05374	0.8
117.07007	5.1
119.04905	1.2
119.08583	38.6
121.06519	1.2
121.10146	26.7
123.08035	0.9
123.11714	6.9
125.09635	0.8
128.06158	1.6
129.07004	5.0
130.07741	1.0
131.08571	22.5
133.10139	20.7
135.08159	0.7
135.11684	14.2
137.05952	4.8
137.13246	2.7
138.06290	1.9
139.06458	1.0
139.11125	1.2
141.06982	2.0
142.07779	2.9
143.08563	10.7
144.09367	2.1
145.10123	31.9
147.11694	23.1
147.12685	0.5
149.13258	13.2
151.07523	1.2
151.14845	1.0
153.12737	0.6
155.08559	5.4
156.09337	2.6
157.10138	15.1
158.10931	2.4
159.11694	21.7
161.13255	15.3
163.11166	0.7
163.14842	8.1
165.05502	1.8
165.12729	1.5
167.08626	0.8
168.09341	1.5
169.10120	9.2
170.10905	2.7
171.10254	1.3
171.11678	16.5
172.12465	1.0
173.13264	30.1
175.14825	12.1
177.16399	11.9
179.14343	0.7
179.18069	0.7
180.06531	7.0
181.10106	1.7
182.10892	1.2
183.11691	9.5
184.12469	1.5
185.13258	14.6
187.14824	29.3
188.15141	0.9
189.16393	9.9
191.14290	1.0
191.17950	4.1
193.10175	0.7
195.11696	2.7
197.13260	7.6
199.14807	13.3
201.16382	22.8
203.14345	1.4
203.17996	7.0
205.15903	7.3
205.19559	1.2
207.11731	1.5
207.17433	1.8
209.13307	4.3
211.14803	9.8
213.16391	12.1
215.14342	1.4
215.17970	6.9
217.15822	1.0
217.19545	2.9
219.17445	1.1
221.13097	0.8
222.07681	1.0
223.14833	3.6
225.16394	7.0
227.17973	7.0
229.19516	2.5
233.19040	1.9
236.15486	0.7
237.16422	4.2
239.17957	8.8
240.18535	1.1
241.19505	7.4
243.21097	1.1
245.19025	1.0
249.16574	1.0
251.17982	3.0
253.19533	7.1
255.21068	2.4
265.19641	2.7
267.21042	7.6
269.19119	0.8
269.22498	0.9
277.19531	1.3
279.21005	2.7
280.21933	0.9
281.22586	1.2
283.23947	0.7
285.22150	0.9
291.21033	1.0
293.22687	1.7
295.24216	0.9
297.22095	0.8
299.23557	0.9
305.22543	0.7
307.24139	1.3
311.23569	2.0
313.25168	0.8
319.24161	2.4
333.25800	0.9
335.27426	7.6
337.25345	1.8
347.27393	0.7
349.28885	3.7
365.16937	0.9
365.28372	0.8
377.58575	0.6
379.29489	0.9
379.33792	0.8
389.32077	10.6
407.18329	7.7
407.33060	100.0
408.33286	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	407.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.0
56.96562	3.1
59.11976	1.5
67.05507	13.8
69.07080	15.7
79.05495	9.5
81.07066	27.0
83.04977	2.1
83.08617	6.2
86.20612	1.8
91.05493	13.9
93.06548	2.1
93.07053	24.0
95.04969	2.6
95.08614	43.6
97.10170	3.0
99.08103	2.3
105.07036	29.8
105.22642	1.6
107.08607	32.1
109.06486	2.2
109.10165	24.1
109.10899	2.1
111.08099	3.3
111.11732	2.0
117.07002	6.6
119.08594	43.4
121.06519	2.7
121.09322	1.9
121.10158	28.5
123.08067	2.2
123.11759	10.9
129.07010	4.3
131.07628	1.0
131.08577	22.6
133.06541	1.6
133.10161	25.1
135.08064	1.8
135.11723	16.8
137.09628	3.0
137.13269	4.3
141.07018	2.0
142.07721	1.8
143.08556	11.9
145.10130	34.5
147.04361	1.7
147.11711	18.0
149.05951	1.4
149.13260	13.9
151.11191	1.9
155.08537	4.4
156.09351	3.0
157.10114	16.0
158.10928	2.4
159.11720	21.1
161.09557	2.0
161.13260	12.2
163.11153	3.6
163.14861	8.9
169.10153	5.4
170.10840	2.5
171.11723	13.9
173.09601	2.1
173.13266	24.8
175.11267	1.5
175.14847	16.0
177.05455	3.3
177.16391	10.2
178.52202	1.8
181.10054	1.8
183.11708	9.2
185.13268	20.6
187.14838	58.5
189.16391	18.3
191.14320	2.1
191.17938	6.0
193.18677	1.7
197.13263	5.6
199.14804	10.8
201.12769	4.4
201.16405	24.7
203.14326	10.1
203.17953	6.2
205.15866	6.1
207.17476	2.8
209.13370	3.6
211.14871	4.7
213.16425	7.2
215.17987	8.3
217.15918	5.3
219.17441	2.4
223.14775	5.1
225.16403	3.0
227.17931	8.6
229.15790	2.0
229.19516	3.6
237.16379	2.6
239.17921	5.5
241.19588	4.5
243.17557	2.2
243.21043	2.3
249.18550	1.9
251.17975	3.9
253.19577	6.9
255.21040	2.9
265.19635	2.1
267.21054	4.8
273.06470	2.1
277.07373	1.6
279.21286	2.8
283.20642	2.3
296.08270	3.1
301.08450	2.2
305.22665	2.1
311.23788	3.2
335.27426	1.9
351.26709	2.0
363.30411	1.6
389.26971	3.7
389.32019	22.0
407.33011	100.0
408.33350	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01866	1.7
55.05509	8.8
56.96569	1.4
57.03439	1.4
57.07069	3.9
63.42704	0.9
65.03932	1.2
67.05508	12.3
67.45640	0.7
69.03428	8.1
69.07069	14.6
70.06583	1.0
71.04989	1.4
71.08601	1.1
75.24784	0.7
79.05495	13.4
81.03417	2.1
81.07058	22.9
81.58577	0.8
83.04979	3.7
83.08616	6.5
84.08128	1.0
85.02914	2.0
85.06529	2.3
91.05484	15.2
93.07041	28.3
95.04960	4.8
95.08609	40.0
97.02891	2.4
97.06521	1.6
97.10165	2.6
98.97578	5.5
99.08012	1.1
103.05482	2.5
105.07028	29.6
107.04977	1.6
107.08592	44.2
107.34889	0.8
109.02901	1.1
109.06510	2.9
109.10156	19.0
111.08067	2.4
112.11240	1.1
115.05525	1.3
116.98644	2.3
117.06991	8.0
119.04915	0.8
119.08580	42.2
121.06517	14.2
121.10138	43.2
123.08042	2.7
123.11699	6.9
127.03894	3.4
128.06223	1.5
129.06998	4.3
130.07814	1.2
131.08566	23.5
133.06514	1.6
133.10130	24.8
135.08058	3.6
135.11688	14.8
137.05975	1.5
137.09641	2.4
137.13268	1.6
140.00131	0.9
142.07803	2.1
143.08571	9.9
144.09325	2.6
145.06526	0.8
145.10124	46.4
147.11699	14.3
149.06006	1.2
149.09636	3.1
149.13260	11.7
151.07570	1.9
151.11153	2.3
155.08563	2.4
156.09363	3.4
157.10109	10.2
158.10907	3.9
158.99632	2.8
159.08064	2.1
159.11687	27.9
161.09586	1.9
161.13272	9.4
163.11183	18.2
163.14803	8.6
164.07111	3.0
165.09106	1.1
167.07007	1.0
169.10153	2.7
170.10907	2.1
171.11688	8.0
172.12466	3.1
173.09627	1.6
173.13268	21.7
175.14827	30.5
177.00745	2.8
177.16389	32.7
181.10106	1.6
183.11682	4.1
185.13258	7.2
187.11200	1.7
187.14815	41.6
189.12813	1.2
189.16371	11.0
191.14282	3.7
191.18002	2.9
193.10182	1.5
195.11743	1.9
197.13289	3.3
199.11208	1.8
199.14821	9.4
201.12708	1.5
201.16383	41.5
203.14297	1.9
203.17970	5.8
205.15883	100.0
207.17484	2.7
209.13361	2.4
211.14815	1.6
213.16415	6.9
214.08112	0.9
215.14340	2.2
215.17995	5.3
217.15921	2.8
217.19528	1.0
219.01811	1.4
219.17415	1.5
223.14790	1.7
225.16446	2.1
227.17975	2.0
229.19585	1.2
231.17580	1.3
233.18976	1.4
239.18037	1.2
241.19547	2.4
251.17955	1.4
255.20978	2.1
263.23795	1.0
267.21124	2.0
269.22678	1.1
336.86557	0.9
389.24915	1.0
389.27188	1.4
389.32016	5.7
407.25449	15.7
407.33060	58.7
413.32135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3522
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05512	3.8
57.07085	8.3
65.03931	3.2
67.05508	24.4
69.07070	6.0
69.86518	4.1
71.04989	3.0
71.08637	5.3
71.74991	0.7
74.35216	0.8
79.05492	1.8
81.07065	4.3
83.08635	5.0
85.10207	4.7
86.50616	0.7
87.40900	0.7
89.99752	0.8
93.07033	2.3
93.96947	0.9
95.04977	14.7
95.08627	4.8
95.69273	0.7
97.06523	0.9
97.10165	3.3
99.04475	8.4
107.08600	2.2
109.10158	3.3
111.11704	2.7
113.06008	3.0
119.08559	2.2
121.06584	0.9
121.10161	1.5
123.04433	15.9
123.11707	1.6
125.05993	7.4
133.10147	1.6
137.05966	1.6
139.07594	4.1
141.05476	100.0
147.11682	1.7
149.13277	1.5
151.07539	1.3
151.11163	1.3
155.07011	1.6
165.09052	1.3
165.12715	1.0
171.11496	0.8
189.16467	0.7
193.12396	0.9
229.79279	0.9
329.31967	1.0
347.33136	2.4
361.34692	1.7
364.51538	0.7
365.34229	2.0
370.43954	0.7
371.33136	1.4
389.34149	7.1
407.35242	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	407.3525
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05509	8.7
57.07074	14.4
63.43974	1.3
65.03945	1.3
67.05508	13.2
69.03432	9.3
69.07068	21.1
69.34943	1.1
70.89036	3.2
70.89410	2.5
71.08640	9.3
79.05495	6.0
81.07063	30.0
83.08617	9.8
85.10178	5.1
89.06068	1.5
91.05466	4.3
93.07053	16.6
95.04961	4.0
95.08619	32.5
97.06506	2.5
97.10170	4.8
105.07026	10.5
107.08601	17.5
109.06501	3.5
109.10158	15.5
110.07126	1.2
111.04434	1.4
111.11709	6.5
119.08585	7.6
121.10126	12.2
123.04433	15.0
123.08047	2.7
123.11728	8.8
125.06030	6.8
125.13278	1.4
129.07008	2.0
131.08563	3.7
133.08644	1.8
133.10135	10.3
135.11693	5.8
137.05962	5.2
137.09679	3.2
137.13261	6.4
139.07541	2.5
141.05446	5.3
144.65680	1.3
145.10129	4.9
147.11708	8.6
149.13266	10.4
151.07530	4.3
151.11165	3.3
151.14827	1.8
157.10052	2.0
159.11696	5.5
161.13229	6.7
163.14816	4.5
165.09105	5.5
165.12761	3.1
167.10661	2.4
173.13278	4.2
175.11195	1.9
175.14844	6.8
177.16382	5.4
178.56218	1.3
179.10698	2.6
181.12254	1.9
183.10149	1.7
187.14825	3.8
189.16435	3.0
193.12233	3.7
199.14827	2.3
201.16354	3.0
203.17961	4.4
213.16290	2.1
215.17972	1.9
217.19585	2.4
227.17897	2.2
229.19496	2.6
231.20985	2.2
241.19467	1.8
245.22571	3.8
255.21225	1.8
257.22549	2.7
263.20062	2.8
269.22620	3.8
273.26108	1.3
283.24191	3.2
297.25754	1.8
309.25830	2.1
343.33795	2.0
361.34570	4.0
371.33173	2.0
389.34164	33.1
407.35367	100.0
408.35794	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.1
57.07085	15.9
67.05508	7.7
69.07076	25.7
69.52256	15.2
69.54354	2.0
70.41670	2.1
71.08632	9.7
79.05474	4.8
81.07059	22.1
83.08636	18.0
85.10180	3.7
89.05997	4.3
91.05485	3.9
93.07040	7.5
95.08608	24.1
97.10174	10.2
99.04459	61.8
105.07048	8.0
107.08612	6.4
109.06535	4.5
109.10164	9.6
111.10900	1.9
111.11720	7.1
112.50091	2.9
114.91273	2.8
119.08569	5.4
121.10150	7.4
123.08128	3.7
123.11697	4.6
123.60004	2.2
125.05997	63.8
133.10126	8.2
137.06047	4.5
137.13246	3.8
139.07533	2.5
147.11716	5.0
149.13269	3.2
154.78859	2.5
157.10190	2.4
159.11707	3.5
161.13217	3.1
165.09198	4.2
173.13306	2.7
175.11234	6.7
181.12115	2.2
193.12196	4.0
363.16089	4.2
365.34525	2.7
371.33145	6.6
376.78009	2.2
377.17484	14.0
378.18448	8.7
389.34183	69.4
391.19260	9.1
392.19748	9.2
407.22293	100.0
407.35327	26.9
408.23019	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	42.6
57.07079	60.4
66.32442	3.2
67.05515	25.7
69.07070	100.0
71.08656	33.6
75.98128	3.4
78.81091	3.3
79.05492	26.2
81.07056	76.7
83.08627	49.8
85.06520	3.6
85.10177	16.6
89.06030	4.8
91.05479	12.3
91.59426	3.0
93.07040	31.6
95.08609	97.0
97.06530	11.1
97.10171	35.5
99.04456	12.9
105.07059	22.6
107.04911	3.1
107.08595	50.5
109.06544	28.0
109.10163	66.5
111.04456	30.4
111.08125	6.4
111.11735	21.5
117.07040	4.8
119.08575	29.6
119.81541	2.9
121.06483	7.2
121.10144	43.6
123.04427	5.4
123.08087	16.3
123.11724	29.1
125.05999	50.8
125.09679	4.0
125.13306	7.2
131.08553	4.9
133.10153	27.8
135.08049	4.7
135.11745	27.2
137.05986	95.6
137.09598	13.8
137.13283	18.1
138.01511	3.3
139.07536	11.8
139.11197	5.8
141.05453	13.0
143.08556	3.8
145.10133	10.8
147.08084	4.7
147.11678	24.8
149.09650	5.9
149.13254	18.7
151.07553	19.6
151.11182	11.5
151.14818	4.3
153.09137	9.2
159.11702	12.4
161.09605	11.4
161.13261	13.0
163.11182	9.8
163.14836	13.4
165.09117	31.5
165.12723	7.0
167.10701	9.6
171.11691	7.2
173.13332	9.2
175.11153	5.0
175.14828	13.9
177.12823	4.2
177.16368	11.2
179.10684	31.8
179.14281	6.0
179.17896	3.6
181.12234	20.0
183.10156	4.2
187.14824	10.1
189.12816	6.3
189.16386	10.0
191.17966	11.0
193.12270	28.4
193.15913	3.9
195.13805	12.4
197.11761	16.6
201.16452	7.3
203.14429	3.9
203.18008	15.3
205.19470	9.0
207.13826	24.0
209.15317	6.6
211.13275	12.5
213.32925	3.1
215.18016	6.6
217.19498	8.7
221.15419	20.6
221.18874	3.3
223.16891	9.3
225.14798	10.3
231.21266	3.3
235.16924	26.3
237.18456	5.4
239.16449	8.7
243.21043	6.4
249.18556	25.8
251.20126	7.0
253.17915	15.6
255.21031	3.8
257.22662	6.0
263.20023	26.4
265.21689	4.3
267.19626	14.1
271.24396	4.0
277.21649	26.5
281.21164	12.7
291.23270	18.5
293.24820	4.7
295.22675	10.5
305.24710	13.6
309.24133	4.7
317.28528	7.0
319.26410	16.7
323.25873	5.9
333.28027	15.1
337.27451	9.2
347.29132	3.5
347.33047	4.3
351.29321	5.2
361.34671	7.0
371.33066	6.1
389.34161	69.8
407.36258	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	11.1
57.07076	5.5
67.05512	19.8
69.07072	18.3
70.06755	2.1
70.07165	4.7
71.05038	1.3
79.05494	9.4
81.07059	39.9
83.08614	10.3
85.00896	1.1
87.10642	1.4
91.05493	11.6
93.07056	25.0
95.04956	1.2
95.08614	66.1
97.10192	4.6
105.07033	25.3
107.08602	38.4
109.10162	40.1
110.31032	1.1
111.11728	3.1
111.52988	1.1
115.05556	1.2
117.07080	1.6
119.07703	1.7
119.08585	33.6
121.10146	31.2
123.11712	16.2
131.08601	8.2
133.10139	22.4
135.11705	18.9
137.13277	11.5
143.08586	4.4
144.09390	1.7
145.10121	19.7
147.11696	21.3
149.13283	15.8
151.14864	2.9
156.09431	1.5
157.10156	6.4
158.11002	1.3
159.11707	23.6
159.13028	1.6
161.13249	21.4
163.14832	13.6
164.42574	1.1
171.11673	6.4
173.13295	12.0
175.14821	9.9
177.16405	9.8
183.11716	2.1
185.13300	4.9
187.14796	12.4
188.15283	1.4
189.16393	21.7
191.17960	18.6
197.13298	2.2
199.14766	6.2
201.16368	13.6
203.17972	18.5
205.19595	5.1
211.14940	2.3
213.16400	6.0
215.17969	17.6
217.19557	16.5
219.21129	1.9
225.16476	1.7
227.18019	4.7
229.19504	8.1
231.21147	2.9
241.19510	6.1
243.21065	6.4
245.22762	1.9
247.69075	1.2
253.19662	2.6
255.21002	7.9
257.22662	12.8
269.22678	10.1
282.32053	1.2
283.24295	5.1
297.25806	3.9
319.26105	1.4
323.27353	1.9
325.28851	1.5
337.28973	2.7
351.30551	3.2
365.31909	3.2
389.32004	1.4
407.36850	100.0
408.37363	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.05511	12.8
57.07070	7.4
65.03998	1.9
67.05509	27.7
69.07069	36.8
70.91231	4.8
70.91559	2.2
71.08627	5.4
79.05494	20.3
81.07059	61.6
83.04997	2.7
83.08627	11.8
86.09711	3.6
87.49888	1.9
89.06051	3.3
91.05489	14.4
91.62543	2.0
93.07047	41.9
95.04969	2.6
95.08614	89.1
97.10188	7.9
105.07047	33.7
107.08603	55.0
109.10161	52.0
111.08106	2.3
111.11736	8.3
117.07007	7.3
119.08583	41.2
121.10149	45.1
123.11708	21.8
125.05983	2.5
129.07014	3.7
131.08556	12.4
133.10138	27.3
135.11703	27.2
137.13234	18.5
143.08553	5.6
145.10152	27.4
147.11687	23.3
149.02412	3.0
149.13268	44.6
151.14807	2.5
157.10127	8.3
159.11690	24.6
161.13280	23.1
163.14832	24.2
169.10202	2.6
171.11670	7.5
173.13264	22.5
175.14845	21.3
177.16402	32.0
183.11823	2.2
185.13243	6.3
187.14836	31.7
189.16426	20.4
191.17941	15.0
199.14844	7.2
201.16418	10.4
203.17982	13.0
205.19582	3.0
211.33156	2.3
213.16417	9.2
215.17946	12.4
217.19545	28.0
227.17955	7.3
229.19527	8.4
231.21004	10.9
241.19614	5.1
243.21106	4.9
245.22604	17.3
247.24272	3.2
255.21156	8.1
257.22641	13.3
269.22684	10.2
271.24423	3.6
283.24170	9.2
297.25864	10.6
311.27319	7.6
337.29086	3.2
389.26996	2.9
407.37082	100.0
420.26752	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3676
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05516	11.0
57.03438	4.5
57.07094	11.2
67.05498	13.3
68.40025	1.5
69.07072	15.9
71.08630	6.4
79.05495	6.3
81.07064	33.8
83.08621	7.3
85.10183	2.5
89.06047	3.1
91.05477	6.7
93.07052	16.0
95.04958	1.5
95.08617	53.1
97.10172	4.9
98.20669	2.5
105.07035	14.5
107.08600	25.5
109.10159	25.9
113.00026	88.3
117.07033	2.8
119.08583	18.4
121.06472	2.7
121.10154	22.0
123.11714	21.8
131.08600	5.9
133.10159	18.9
135.11725	14.5
137.13293	12.2
143.08614	2.2
145.10126	8.2
147.11693	11.8
149.02333	13.2
149.13245	9.9
157.10175	4.5
159.11687	10.8
161.13277	10.1
163.14832	10.3
164.07071	6.4
169.02623	100.0
169.10178	2.6
169.74504	1.6
170.20943	1.7
171.11778	3.3
173.13310	9.8
175.14824	6.5
177.16388	10.4
185.13275	4.3
187.14833	6.9
189.16368	11.5
191.17926	7.0
195.11978	1.7
197.13408	2.2
199.11269	1.6
199.14848	3.4
201.16434	7.8
203.17955	15.3
205.19592	2.4
213.16374	3.2
215.17984	9.8
217.19516	9.4
227.18028	4.9
229.19542	7.2
231.21346	2.9
241.19441	3.7
243.21165	5.5
255.21194	5.3
256.96970	1.7
257.22665	8.9
269.22736	8.4
283.24179	2.6
297.25848	3.6
309.25677	2.1
337.28571	2.8
345.61090	1.5
365.32086	9.9
407.36774	71.8
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	Unknow
Peak:m/z	Relative Intensity
55.05500	10.6
57.07067	4.4
65.70061	2.3
66.42030	2.3
67.05515	16.5
69.07077	20.5
71.57959	4.0
75.31664	2.2
79.05495	13.5
79.42304	2.2
79.43433	2.2
81.07059	43.4
83.08632	9.6
86.09702	2.5
91.05474	10.0
93.07037	27.6
95.04955	3.9
95.08611	66.1
97.10181	6.8
105.07047	23.1
107.08588	37.1
109.10159	36.6
111.11723	3.7
117.07024	4.0
119.08578	36.1
121.06525	3.7
121.10138	36.5
123.11722	18.0
125.00035	2.8
128.06178	2.4
131.08583	7.2
133.10135	23.0
135.11693	16.1
137.13258	13.0
143.08553	4.7
145.10136	16.6
147.11685	21.2
149.13268	20.0
151.14890	3.1
157.10130	5.3
159.11722	23.0
161.13243	17.7
163.14787	12.1
164.07111	9.3
171.11717	7.3
173.13298	16.4
175.14830	12.4
177.16431	7.7
183.11676	3.8
184.07344	4.6
185.13318	6.6
187.14780	12.9
189.16415	17.6
191.17964	20.2
199.14870	6.1
201.16409	17.7
203.17947	15.4
205.19499	4.4
213.16464	5.4
215.17926	20.1
217.19495	12.5
227.17999	6.9
229.19536	8.2
236.14145	2.8
241.19548	3.5
243.21039	4.7
253.19539	2.4
255.21111	4.1
257.22592	15.8
269.22745	10.2
283.24268	6.7
297.26053	2.5
323.27246	3.6
337.28818	2.7
407.25833	5.0
407.36841	100.0
408.37408	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03929	1.4
55.05512	8.9
57.07083	5.0
63.61819	1.2
67.05510	14.7
69.07076	17.8
70.16348	4.3
71.08646	1.9
71.54811	0.9
79.05492	9.7
81.07064	36.2
83.08629	8.2
91.05470	7.7
93.07053	21.3
95.04961	1.0
95.08614	53.3
97.10170	3.9
102.17027	1.0
105.07036	19.8
105.07746	1.1
105.91837	1.0
107.08595	29.8
109.10160	36.8
110.79924	1.1
111.11732	2.6
117.07046	3.7
119.08581	29.3
121.10151	26.9
123.11716	15.9
129.06993	1.2
131.08586	7.8
133.10136	18.2
135.11714	15.8
137.13284	10.2
143.08583	3.2
145.10121	18.8
147.11691	18.2
149.11462	1.1
149.13272	16.7
149.26097	1.1
151.14856	2.7
157.10158	5.7
158.10997	1.2
159.11707	18.3
161.13248	15.3
163.14851	9.5
171.11749	5.8
173.13266	9.2
175.14874	10.5
177.16393	6.7
185.13274	3.9
187.14813	8.7
189.16370	18.1
191.17960	19.1
197.13234	1.5
199.14798	5.5
201.16396	12.6
203.14679	1.2
203.17963	20.9
205.19608	5.4
213.16255	5.3
215.17958	18.8
217.19511	13.2
219.21063	1.7
225.16515	1.8
227.17992	3.9
229.19522	9.0
231.21158	4.2
239.18039	1.1
241.19557	3.5
243.21024	5.9
245.22661	2.7
253.19504	1.7
255.21141	8.1
257.22662	16.2
269.22620	8.6
271.24246	2.4
283.24283	4.2
295.24298	1.7
297.25858	3.1
311.27362	2.0
323.27274	2.6
325.28906	1.8
337.28799	2.6
351.30539	2.4
365.32193	1.2
379.33685	1.3
407.36816	100.0
408.37222	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05518	7.9
57.07075	5.6
65.03932	0.8
67.05512	13.5
69.07078	17.1
71.08625	1.2
71.28131	1.4
72.01715	1.0
79.05497	5.2
81.07066	34.6
83.08624	6.6
91.05473	6.1
91.05923	0.7
93.07053	19.9
95.08617	50.1
97.10177	3.5
105.07042	14.4
107.08601	19.0
109.10163	27.6
111.11742	1.9
117.07018	3.1
119.08591	18.6
121.10147	18.7
123.11716	13.6
127.10015	0.8
127.67241	0.8
129.07033	1.4
131.08582	9.0
133.10144	13.0
135.11700	13.1
137.13264	11.3
142.07846	0.9
143.08553	4.5
144.09355	1.1
145.10136	15.4
147.11699	15.5
149.13278	11.9
151.14841	1.9
157.10135	6.2
159.11702	13.7
161.13263	11.1
163.14819	6.8
167.36925	1.0
169.10110	1.7
171.11716	6.1
173.13266	9.1
175.14868	6.8
177.16400	6.4
179.17953	1.2
183.11731	1.1
185.13272	7.4
187.14859	9.7
189.16362	10.5
191.17976	9.9
197.13377	2.0
199.14752	5.3
201.16383	12.2
203.17975	15.2
205.19551	3.9
211.14903	1.4
213.16429	5.6
215.18022	9.0
217.19499	6.6
225.16411	1.9
226.17284	1.1
227.18034	4.8
229.19481	8.3
231.21170	1.9
239.18127	1.6
241.19524	4.8
243.21201	3.6
245.22729	1.2
253.19569	1.4
255.21065	7.9
257.22662	24.3
259.24155	1.0
269.22675	12.4
271.24280	2.9
281.22681	2.4
283.24365	4.1
285.25757	1.3
295.24274	2.9
297.25916	2.0
309.25854	1.4
311.27316	1.4
323.27521	2.6
325.29034	1.3
337.29047	2.2
351.30487	2.8
365.32022	1.6
389.32098	1.7
407.36810	100.0
408.37344	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05513	7.2
57.07069	4.4
61.77424	1.4
67.05507	12.8
69.07074	26.3
69.07449	1.6
70.22138	4.6
79.05494	7.5
81.07059	35.0
83.08613	6.3
91.05481	7.8
93.07047	20.3
95.08610	52.9
97.10165	3.7
105.07033	19.0
107.08601	28.2
109.10162	27.0
111.11716	14.5
117.07030	3.3
119.08587	23.2
121.10154	23.5
123.11712	13.7
126.62281	1.1
131.08539	7.3
133.10133	14.2
135.11685	15.0
137.13271	15.0
143.08603	3.0
145.10155	13.9
147.11694	12.8
149.13263	29.2
151.14781	2.6
157.10143	4.7
159.11703	16.8
161.13278	14.1
163.14828	19.3
171.11700	3.0
173.13263	12.2
175.14833	15.6
177.16437	16.6
185.13261	2.8
187.14833	16.5
189.16418	11.3
191.18004	7.7
199.14850	3.8
201.16420	9.5
203.17929	9.6
205.19585	2.1
211.14803	1.2
213.16402	4.1
215.17926	6.1
217.19458	9.5
223.95123	1.2
227.17961	4.7
229.19551	4.0
231.21136	4.9
241.19449	3.3
243.21129	4.1
245.22612	11.9
247.23941	1.2
255.21140	6.1
257.22656	8.9
269.22659	11.6
271.24243	5.6
283.24194	11.1
285.26218	1.3
297.25797	6.2
309.25797	2.2
311.27383	6.0
337.28940	3.9
351.30133	1.6
365.31918	1.6
407.36740	100.0
408.37079	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99349	1.2
53.03962	1.2
55.05513	9.3
57.07077	12.9
67.05508	23.9
69.07072	27.3
71.08631	3.7
71.27834	2.1
77.03966	1.0
79.05492	14.0
81.07060	70.9
83.08620	11.1
91.05484	9.7
91.53943	1.1
93.07044	19.6
95.08612	100.0
97.10175	4.0
98.48002	1.2
105.07037	26.0
107.08598	28.9
109.10160	38.6
111.11755	4.9
115.04652	1.0
117.07043	6.8
119.08593	21.8
121.02837	1.2
121.10149	21.5
123.08054	1.4
123.11720	21.5
125.13273	1.6
129.07005	3.0
129.12793	1.5
131.08577	20.6
133.10133	22.3
135.11690	17.5
137.13260	51.1
141.07024	1.2
143.08563	6.5
145.10121	16.7
146.98442	1.1
147.11699	15.4
149.02348	27.5
149.03484	1.8
149.13277	15.7
150.16353	1.1
151.14867	4.3
157.10106	5.6
159.11705	17.4
161.13249	12.5
163.14824	8.9
167.03401	2.0
169.10100	1.2
171.11711	8.3
173.13275	15.0
175.14803	7.2
177.16368	6.5
178.09219	1.1
179.18013	1.4
183.11736	1.8
185.13307	5.9
187.14861	15.9
189.16397	11.2
191.17957	5.8
193.19577	2.5
199.14790	6.0
201.16403	18.1
203.17964	9.5
205.19623	5.0
211.14745	1.8
213.16383	8.9
215.17903	8.6
217.19543	7.1
219.21082	1.6
224.15161	1.4
227.17963	11.3
229.19453	9.1
231.21111	2.3
239.17896	1.3
240.60396	1.2
241.19522	5.4
243.21101	2.6
245.22614	1.7
255.21098	9.7
257.22638	9.2
269.22632	11.7
271.24234	2.1
283.24191	7.8
297.25653	1.4
305.16162	1.0
311.27307	1.4
323.27463	1.4
351.30673	4.7
379.33490	2.0
389.31918	1.0
407.36853	94.7
408.37115	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	407.3676
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03955	2.6
55.05514	15.2
56.50066	2.2
56.96560	5.2
57.07081	7.4
65.38447	1.8
67.05515	27.3
68.59438	1.7
69.07074	33.0
79.05496	22.2
81.07066	62.0
83.04991	2.7
83.08210	2.0
83.08626	13.8
91.05488	21.4
93.07057	47.4
95.08617	100.0
97.10178	7.3
98.97579	2.6
105.07041	49.2
107.05000	2.3
107.07875	3.7
107.08601	74.0
107.59072	2.0
109.06538	2.4
109.10165	54.5
111.08111	2.3
111.11766	3.8
112.82352	2.2
115.05434	3.7
117.07027	11.3
119.08599	80.6
119.09464	4.3
121.06528	2.2
121.10155	64.6
123.08105	4.1
123.11732	20.8
129.07034	5.3
131.08582	34.9
133.10143	46.1
135.08099	3.3
135.11708	32.9
137.13316	11.0
142.07860	2.8
143.08536	14.3
144.09370	3.7
145.10136	62.9
147.11703	33.2
149.13260	37.0
151.11180	3.4
151.14859	3.0
155.08562	4.1
156.09387	3.2
157.10159	21.9
158.10925	5.0
159.11714	47.4
159.88455	2.1
161.13274	27.7
163.11224	16.5
163.14821	22.6
169.10139	3.9
171.11734	12.6
172.12451	3.5
173.13290	29.6
175.14842	37.4
177.16399	36.5
183.11734	7.8
185.13298	18.1
187.14845	79.4
189.12776	2.2
189.16383	31.9
191.17924	17.8
197.13454	4.7
199.14859	14.5
201.16405	62.1
203.14334	3.3
203.17979	25.3
205.15910	56.7
205.19510	3.9
207.17535	5.9
209.13396	3.2
211.14841	7.1
213.16388	13.4
215.14403	5.2
215.17932	15.7
217.16106	4.5
217.19528	20.5
219.17403	2.9
223.14839	4.8
225.16464	6.0
227.18010	10.6
228.90117	2.9
229.15938	2.8
229.19495	7.1
231.17377	2.9
233.19078	4.3
239.18015	4.5
241.19545	5.0
243.21140	5.5
245.22826	3.4
246.91077	2.5
251.17821	2.6
253.19545	5.6
255.21024	7.3
257.22693	9.7
267.21219	2.7
269.22733	7.5
271.24359	3.4
279.20792	3.0
281.22433	2.4
283.24341	2.5
293.22296	3.4
297.25800	4.1
309.25769	3.7
311.23755	6.5
319.18460	2.8
337.24966	3.5
347.27606	2.7
386.18259	3.4
388.28629	2.0
389.32141	11.3
407.24509	4.9
407.33014	80.7
407.36957	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03938	2.3
55.05513	18.2
57.03210	1.4
57.07082	16.9
67.05506	22.4
69.07072	45.2
70.88410	1.6
70.88742	2.8
71.08628	12.1
79.05499	13.9
81.06582	2.3
81.07062	46.6
83.08613	17.7
85.10199	5.3
89.06037	2.0
91.05476	9.8
93.07055	23.0
95.04962	2.8
95.08611	68.4
97.06530	2.7
97.10167	10.9
99.04449	1.6
105.07039	19.4
107.08599	36.7
107.09291	2.3
109.06533	9.3
109.10164	47.3
111.04437	8.6
111.08096	2.3
111.11739	11.7
117.07001	2.2
119.08587	24.2
121.06471	1.4
121.10152	33.2
123.08102	5.2
123.11715	22.4
125.05987	13.0
125.13319	1.7
129.07039	2.1
131.08565	8.1
133.10132	22.0
135.11691	20.1
137.05983	28.9
137.07042	1.5
137.09644	5.6
137.13258	12.6
139.07542	3.7
139.11237	1.5
139.14848	1.4
141.05508	2.5
143.08597	3.6
145.10114	13.9
147.11702	22.1
149.09650	1.7
149.13271	20.3
151.07574	7.3
151.11185	3.0
151.14873	5.0
153.09105	2.2
153.12772	1.4
155.65187	1.3
157.10162	3.4
159.11703	14.3
161.09616	1.8
161.13264	17.7
163.14838	12.9
165.09137	6.8
165.12775	1.7
165.16429	1.3
167.10727	2.5
171.11739	4.6
173.13274	10.2
175.11284	1.8
175.14838	10.4
177.12883	1.5
177.16383	9.3
179.10706	9.4
181.12299	4.2
185.13316	2.6
185.59206	1.2
187.14828	12.2
189.16414	16.3
190.00117	1.3
191.17903	12.1
193.12247	6.9
195.13858	3.0
197.11832	3.6
199.14908	4.0
201.16341	8.8
203.17931	14.3
203.19487	1.4
205.19485	7.8
207.13776	6.1
207.17410	1.4
209.15366	1.5
211.13309	1.7
213.16383	3.1
215.18021	7.7
217.19499	10.2
221.15425	4.6
223.16956	1.8
225.14911	2.8
227.18007	3.8
229.19521	6.9
231.21109	3.9
235.17015	4.4
237.18449	1.3
239.16330	2.0
241.19531	3.8
243.19122	1.3
243.21141	7.8
245.22699	8.4
249.18471	7.1
253.18004	2.5
255.21158	5.8
257.22726	6.7
259.24326	1.5
263.19922	6.8
265.21756	1.9
267.19589	4.0
269.22604	10.2
271.24261	3.9
277.21753	6.0
279.23416	1.7
281.21155	1.9
283.24240	5.4
291.23206	5.6
297.25815	3.9
305.24951	3.8
307.26520	1.5
309.24197	1.4
311.27460	3.1
317.28442	1.7
319.26489	5.0
323.26569	1.9
333.28000	5.4
337.28671	3.7
340.83493	1.3
371.33105	2.3
389.34189	16.3
407.36746	100.0
408.37515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.9
56.96570	2.6
57.07088	5.2
65.03938	1.3
67.05508	36.3
69.07074	28.8
70.06583	1.4
70.72457	3.3
71.08640	1.3
79.05489	11.4
81.07059	47.5
83.08621	10.6
84.96040	1.3
86.09750	1.7
91.05476	14.8
93.07050	32.3
95.04997	2.3
95.08614	54.0
97.02905	1.5
97.10196	3.4
98.97601	2.4
105.07031	43.7
107.08601	42.5
109.10160	100.0
111.11761	3.8
117.07064	2.9
119.08585	36.9
121.06548	2.8
121.10150	29.1
123.11703	17.7
128.06218	1.2
129.07115	1.2
131.08572	6.8
133.10132	28.3
133.11058	2.0
135.11688	28.2
137.06020	3.3
137.13245	11.5
143.08630	4.4
145.10112	15.5
147.11694	26.2
147.12779	2.2
149.13275	20.7
151.14798	1.9
157.10132	6.7
159.11691	18.4
159.12804	1.4
161.13261	28.9
163.14838	9.5
165.05540	3.3
171.11682	5.9
173.13246	10.3
175.14809	13.2
177.16376	7.2
180.06645	5.2
183.11707	2.2
185.13248	6.4
187.14810	14.8
189.16374	17.7
191.17963	25.6
191.19563	1.6
197.13246	1.5
199.14732	5.9
201.16389	14.1
203.17960	15.4
205.15979	2.8
205.19672	2.2
211.14929	2.4
213.16501	5.2
215.17957	10.3
217.19539	32.3
217.21530	2.1
219.21170	1.9
227.18031	3.4
229.15913	1.4
229.19641	4.5
231.21078	2.8
237.02986	1.4
239.18065	2.2
241.19603	3.4
243.21283	3.3
245.22911	2.9
246.73619	1.3
253.19655	1.9
255.21049	6.0
257.22711	6.1
269.22824	6.9
271.24149	2.9
283.24329	3.5
285.25766	1.3
295.24286	2.0
297.11600	1.4
297.25970	2.7
316.67340	3.0
325.28848	2.6
325.68124	1.7
337.29260	1.6
349.28979	1.4
351.30780	3.0
365.32263	2.3
367.18106	1.8
389.32138	2.3
407.12323	1.4
407.17743	2.4
407.22409	2.0
407.37042	64.8
408.37247	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3676
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03941	2.4
55.05508	10.0
56.96556	1.6
57.07080	4.1
64.24600	1.1
65.03945	1.5
67.05509	22.7
69.03426	1.3
69.07076	27.5
71.08659	1.2
77.61406	1.2
79.05502	14.2
81.07063	49.8
83.04996	1.7
83.08625	9.8
91.05482	15.3
93.07059	34.0
95.04963	1.6
95.08611	73.4
97.10197	5.1
98.97592	1.4
103.05511	1.4
105.07044	32.0
107.08606	44.6
109.06548	1.8
109.10168	49.9
111.11755	4.5
117.07001	3.6
119.08591	35.3
121.06526	3.3
121.10152	41.8
123.11720	18.0
131.08594	7.8
133.10135	24.6
135.08141	1.8
135.11700	26.2
137.06041	5.8
137.13268	16.1
143.08629	4.6
144.09415	2.1
145.10132	20.5
147.11697	27.4
147.12778	2.0
149.13275	31.8
151.14854	2.8
157.10208	7.1
159.11707	24.1
161.13277	26.1
161.81580	1.6
163.14845	16.1
164.07077	1.7
165.05548	3.2
171.11754	5.4
173.13274	13.3
175.14818	18.0
177.05563	1.3
177.16420	16.6
180.06563	2.5
183.11731	2.1
185.13274	7.0
187.14850	19.7
189.16382	23.2
191.17957	20.8
192.77740	1.5
197.13385	2.3
199.14941	5.2
201.16414	19.3
203.17986	22.0
205.16000	1.6
205.19624	4.1
211.02858	1.4
213.16478	5.0
215.17935	12.6
217.19553	27.5
225.16495	1.7
227.18030	5.9
228.58508	1.4
229.19392	8.7
231.21242	4.7
239.17894	2.1
241.19678	5.6
243.21214	6.1
245.22766	5.2
253.19490	1.8
255.21230	6.0
257.22668	14.5
269.22614	12.2
271.24167	2.4
283.24365	5.6
297.25867	4.9
311.27292	1.9
323.27185	1.5
325.29144	2.3
337.29126	1.6
351.30783	2.2
365.32343	1.9
407.17996	3.0
407.36945	100.0
408.37274	3.2
410.46799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03945	2.0
55.05511	13.6
57.07068	5.9
57.56943	1.5
64.00981	1.6
67.05510	31.8
69.06721	2.9
69.07074	39.6
71.08626	2.5
79.05494	14.5
81.07065	60.1
83.08620	12.6
86.09741	1.6
91.05492	14.8
92.17535	1.4
93.07056	32.3
95.04991	1.9
95.08616	81.7
97.10188	4.0
103.05502	2.2
105.07036	40.5
107.08601	56.2
109.10166	86.2
111.11694	3.3
117.07027	3.8
118.97559	1.8
119.08591	45.0
120.62368	1.9
121.06538	4.4
121.10155	39.7
121.11038	2.3
123.11721	21.5
129.07076	2.0
131.08568	13.7
133.10152	33.9
135.11690	26.2
135.70309	1.7
137.13275	12.8
142.07797	2.1
143.08572	7.7
144.09389	1.6
145.10109	23.4
147.11702	39.1
149.13284	23.6
150.83559	1.5
151.14804	3.4
156.09352	2.0
157.10146	8.8
159.11710	28.6
161.13261	30.2
163.14879	9.5
169.10234	2.3
170.10960	1.7
171.11703	7.9
173.13316	12.6
175.14877	15.6
177.16365	5.4
180.06599	5.0
183.11685	3.0
185.13231	8.4
187.14824	11.3
189.16393	25.7
191.17969	24.0
197.13289	4.9
199.14806	9.5
201.16399	19.0
203.17953	20.8
205.19603	4.3
211.14828	3.5
213.16428	10.5
215.17949	13.6
217.19531	36.1
225.16440	3.1
227.18027	4.0
228.18553	1.9
229.19554	7.0
230.12428	2.0
239.17883	3.6
241.19603	5.6
243.21170	5.8
253.19598	2.3
255.21129	8.4
257.22672	18.0
269.22656	12.7
271.24289	4.4
281.22867	2.5
283.24335	5.6
295.24173	2.6
297.25787	4.8
311.27368	2.0
323.27444	4.7
325.28809	4.0
351.30435	3.8
357.71317	1.8
365.32266	2.1
407.18411	4.4
407.25815	8.4
407.36853	100.0
408.37161	2.9
410.81296	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3679
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
51.03030	3.7
52.94979	3.7
55.05515	19.0
56.96572	22.5
57.07085	7.0
62.93465	3.4
67.05506	38.7
69.07070	36.1
71.59183	5.5
72.08179	3.8
74.09732	5.9
79.05497	22.2
81.07066	73.5
83.08620	16.4
91.05492	23.5
93.07050	49.7
95.08616	100.0
97.10177	6.3
102.97646	3.8
105.07045	58.5
107.08598	65.8
108.09035	5.2
109.10163	85.7
117.07024	7.7
119.08587	52.8
121.10155	55.0
123.11707	23.1
129.07068	5.3
131.08548	23.8
133.10152	38.9
135.11732	34.9
137.13257	14.5
140.56621	3.7
143.08574	11.4
144.09286	4.2
145.10127	38.5
147.04419	4.1
147.11710	34.3
149.13278	32.4
155.08551	4.6
156.09251	4.9
157.10164	21.9
159.11703	35.4
161.13257	32.8
163.14804	18.5
165.81824	3.7
171.11671	13.3
173.13240	23.6
175.14900	21.7
177.16420	13.0
183.11757	10.4
185.13260	14.9
187.14821	40.8
189.16409	32.9
191.14308	4.2
191.17967	22.4
193.01749	11.8
197.13234	5.2
199.14809	17.1
201.16394	32.0
203.17970	21.1
205.19553	4.3
211.02783	33.9
211.14844	9.1
213.16444	10.0
215.17989	14.2
217.15930	6.4
217.19591	29.4
224.15146	5.6
225.16342	5.2
227.17880	7.8
229.03879	6.9
229.19485	5.7
231.17558	3.7
233.18965	4.0
234.04379	5.8
239.17908	7.2
241.19499	9.6
246.91144	4.8
253.19542	11.7
255.01871	6.1
255.21143	12.0
256.91095	4.0
257.22675	9.8
265.19543	5.8
269.22711	9.9
311.23706	5.4
332.18494	4.5
351.30310	5.1
354.17700	5.5
365.68262	7.7
389.31985	17.7
407.24771	5.8
407.32965	62.1
407.36844	57.1
421.26559	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01873	1.8
56.96561	4.0
57.03440	1.6
61.02927	2.2
67.05512	1.7
69.03430	4.2
70.06592	2.3
71.87001	1.0
73.02897	0.9
73.24488	1.0
73.57170	1.0
73.61729	0.9
81.03434	2.6
84.08144	2.5
85.02914	10.6
85.04399	1.0
91.05499	2.5
93.07036	1.0
95.04987	16.6
97.02902	4.6
98.97607	3.7
105.07047	2.3
106.93887	0.9
107.04953	2.3
109.02910	1.9
109.06567	1.0
110.97594	1.0
119.04976	4.0
121.06514	1.1
123.04417	8.5
123.08098	1.7
127.03910	2.7
128.98642	1.4
133.06570	2.3
137.05974	2.2
145.02861	3.0
145.04980	3.0
147.04431	3.1
149.05984	2.0
151.03917	100.0
151.61279	1.0
152.04239	1.1
161.06023	5.7
165.05464	2.7
167.07045	1.6
169.05019	1.5
175.03941	1.7
177.05460	5.0
193.04962	9.7
193.08678	2.7
197.08192	1.1
200.06868	1.8
211.06049	33.5
211.09531	7.2
219.01837	1.5
222.08333	1.5
223.02742	1.2
229.07115	4.0
237.02826	2.3
241.03984	2.7
246.07393	7.0
246.11153	2.5
274.10068	1.2
281.10608	2.9
317.84082	1.1
408.12491	6.3
408.16315	5.6
409.11209	12.2
425.07288	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
56.96556	0.7
63.51811	0.6
67.05500	1.2
69.03439	1.4
71.04989	0.7
71.18327	1.0
79.05479	1.0
81.03443	0.6
84.08154	5.7
85.02909	5.0
91.05498	2.4
93.07047	0.7
95.04981	22.6
97.02894	2.3
105.07016	0.8
107.04950	0.9
109.02838	0.9
119.04975	4.2
123.00800	1.8
123.04450	10.7
127.03909	1.1
130.08655	2.1
137.05969	0.7
145.04990	0.7
147.04390	3.9
151.03920	100.0
161.05957	1.0
165.05534	1.1
167.07039	2.8
169.04968	1.5
175.03932	2.5
193.04987	10.0
194.08301	0.8
211.06036	41.6
228.10300	1.1
229.07098	9.3
246.11215	1.2
305.07776	1.0
409.10968	2.5
409.16144	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	30.0
56.05038	1.4
57.68888	0.8
58.99589	17.0
61.01149	1.3
69.07057	0.9
69.57669	0.8
70.57661	0.8
70.58002	2.4
73.01131	0.9
76.02235	7.6
76.04010	3.4
81.07063	1.4
83.06098	1.6
83.08627	39.8
84.04507	23.8
85.01093	1.0
86.99065	11.2
88.02217	3.6
98.21027	1.8
99.05614	1.0
101.09655	1.1
107.08611	1.0
115.05817	1.2
116.01688	56.0
129.06586	2.8
129.07413	1.6
130.05000	5.3
141.07364	1.3
142.03192	5.0
144.01151	27.4
145.06020	1.2
155.19751	0.9
159.08403	42.1
162.02214	100.0
176.11047	7.5
179.05014	0.9
181.06108	1.1
187.07932	1.2
228.37840	0.8
244.10040	1.3
245.05829	1.2
262.11108	55.0
263.11230	1.1
266.03464	0.8
279.13751	31.3
327.90085	0.9
333.14828	11.9
365.11945	2.2
390.16666	1.5
408.18042	8.3
409.11194	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	408.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	30.0
56.05038	1.4
57.68888	0.8
58.99589	17.0
61.01149	1.3
69.07057	0.9
69.57669	0.8
70.57661	0.8
70.58002	2.4
73.01131	0.9
76.02235	7.6
76.04010	3.4
81.07063	1.4
83.06098	1.6
83.08627	39.8
84.04507	23.8
85.01093	1.0
86.99065	11.2
88.02217	3.6
98.21027	1.8
99.05614	1.0
101.09655	1.1
107.08611	1.0
115.05817	1.2
116.01688	56.0
129.06586	2.8
129.07413	1.6
130.05000	5.3
141.07364	1.3
142.03192	5.0
144.01151	27.4
145.06020	1.2
155.19751	0.9
159.08403	42.1
162.02214	100.0
176.11047	7.5
179.05014	0.9
181.06108	1.1
187.07932	1.2
228.37840	0.8
244.10040	1.3
245.05829	1.2
262.11108	55.0
263.11230	1.1
266.03464	0.8
279.13751	31.3
327.90085	0.9
333.14828	11.9
365.11945	2.2
390.16666	1.5
408.18042	8.3
409.11194	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	408.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01875	0.3
56.96568	0.5
57.03419	0.5
60.64604	0.3
61.02930	0.5
69.03442	1.4
70.06591	2.3
70.22717	0.3
70.71522	0.3
70.71838	0.6
72.08155	0.5
73.02959	0.4
75.01698	0.3
78.04688	0.5
79.05485	1.0
79.79622	0.3
81.03408	1.3
83.04974	0.4
84.08141	1.0
85.02914	4.1
85.06541	0.6
86.09720	0.7
86.99644	0.3
87.04477	0.3
89.03927	0.7
91.05475	1.1
93.07038	0.9
95.04956	1.1
97.02885	1.1
98.97600	0.4
99.04464	0.6
103.05465	0.8
105.07046	0.7
106.04173	0.6
107.04955	1.2
109.02863	0.6
112.07600	1.1
114.05518	0.4
117.03401	0.4
119.04948	0.4
121.06505	1.9
123.04463	2.3
124.05238	0.8
127.03893	0.9
131.04945	0.4
133.06474	0.6
135.04419	1.2
137.05988	4.0
140.07103	0.9
141.48601	0.3
145.02852	0.6
147.04416	0.7
149.06001	2.4
151.03912	3.1
151.07491	0.3
152.04619	0.7
161.05984	0.5
163.03896	3.3
163.07524	0.8
164.04239	0.5
165.05363	0.3
166.06178	0.5
167.07050	100.0
168.07393	1.2
177.05370	0.4
179.07040	0.9
181.08627	3.0
193.08614	3.0
199.13792	0.3
211.06270	0.6
211.09671	16.6
221.24515	0.3
229.10741	12.4
231.02342	0.4
236.56503	0.3
239.09215	0.5
362.00668	0.4
408.12515	0.4
408.23779	0.7
409.11063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43764	0.3
57.03441	0.5
61.02938	0.5
62.34091	0.3
69.03439	0.7
71.05000	0.4
71.40329	0.5
78.04737	0.4
78.93739	0.3
81.03422	0.4
85.02913	3.8
85.15659	0.3
89.39829	0.3
91.03984	0.5
91.05492	0.8
93.07036	0.6
95.04962	0.3
97.02919	0.8
98.97558	0.4
99.04490	0.3
103.05450	0.3
106.04178	0.6
107.04972	0.9
109.02927	0.3
112.49245	0.3
115.41358	0.3
121.06480	1.5
123.04415	1.7
124.05240	0.8
127.03913	0.7
133.06497	0.7
137.05968	2.2
145.04956	0.5
149.06018	1.9
151.03912	0.8
151.07472	0.3
152.04715	1.1
157.97101	0.3
161.06004	0.4
167.07051	100.0
168.07347	0.9
177.05447	0.4
179.07066	0.6
180.08701	1.2
181.08633	1.6
193.08627	3.8
211.09674	15.5
229.08463	0.6
229.10725	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	408.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.3
55.05505	10.9
57.07074	7.8
62.68639	5.9
67.05504	25.7
69.07069	27.1
70.55398	8.5
70.55757	16.0
79.05495	13.9
81.07066	54.2
83.08624	7.7
91.05466	19.4
93.07029	32.5
94.07382	7.1
95.04986	6.1
95.08624	64.7
96.08945	22.4
97.02952	7.9
97.10152	5.0
97.55762	4.6
98.97594	10.8
103.05492	7.2
104.16573	4.8
105.07026	30.0
106.07357	7.8
107.08602	42.0
108.08929	8.1
109.10168	43.5
110.10493	11.1
119.08560	40.0
120.08922	11.5
121.06514	100.0
121.10143	24.4
122.10488	10.9
123.11671	12.6
131.04944	7.5
131.08607	12.2
132.09039	5.4
133.10132	20.8
134.10527	8.0
135.11711	20.5
136.12079	6.0
137.13255	14.5
138.55011	5.0
143.08615	8.6
145.10139	17.6
146.10461	7.8
147.11646	25.9
148.12088	8.0
149.13298	10.8
151.14839	5.7
158.10376	6.1
159.11632	14.9
160.12096	10.4
163.14754	8.3
171.11771	11.6
176.15260	5.9
177.12744	6.8
180.06580	7.2
186.13638	6.3
187.14870	11.1
188.15065	6.1
189.16330	6.9
190.16650	8.1
191.17921	11.9
199.14827	7.8
201.16370	8.2
202.16795	8.8
203.17963	7.4
204.18300	8.5
206.19978	5.6
217.19562	12.3
218.19771	10.5
256.21548	6.0
257.22507	6.3
261.73511	5.6
270.23157	6.1
408.18408	7.7
408.25940	21.0
408.32498	9.6
408.34167	10.1
408.37555	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	7.5
67.05520	7.4
69.07057	5.4
69.66891	34.7
79.45786	5.0
81.07059	11.2
82.70998	5.2
91.05457	6.2
93.07059	8.0
98.21200	17.4
101.69594	5.3
106.19196	4.7
107.04900	4.8
112.11257	6.8
121.06516	100.0
146.92880	5.6
225.07605	9.4
317.65979	7.1
332.60406	5.0
408.24332	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	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
57.03429	1.0
67.05492	2.9
69.07077	4.7
70.26184	0.6
71.04993	17.6
71.17670	0.8
71.17986	1.1
79.05489	3.7
81.07056	6.3
83.04969	2.7
83.08614	1.2
85.02898	3.0
85.06552	9.2
88.08542	0.8
91.05466	1.7
93.07044	7.9
95.04895	0.9
95.08606	7.9
97.02870	1.3
97.06536	0.8
99.08113	5.4
101.08527	0.8
103.05424	1.0
105.07031	2.8
106.32410	0.7
107.04954	2.0
107.08593	9.8
109.02972	0.8
109.06490	1.0
109.10155	16.1
111.08044	0.8
113.06004	1.0
115.84888	0.6
119.08585	5.7
121.06521	1.6
121.10173	4.9
121.10890	0.8
123.08056	2.3
123.11713	5.5
123.49750	0.7
127.11224	1.2
133.06474	1.0
133.10138	4.8
135.11703	22.3
137.09668	1.2
145.04820	0.7
147.11691	3.6
149.13255	7.1
151.11205	1.7
151.14799	1.4
153.12749	15.6
157.10071	0.8
165.12756	1.7
167.14287	2.4
169.12224	18.2
175.11183	1.9
175.14819	9.0
193.12271	4.3
193.15912	4.0
198.82669	0.8
211.13606	13.4
211.16934	100.0
212.17303	1.6
228.14052	0.7
229.14372	31.2
320.33365	0.7
409.16394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
57.07057	0.5
62.39425	0.5
62.76366	0.5
66.94317	0.7
67.05507	1.5
69.03431	1.3
69.07079	3.3
70.03378	1.0
70.03779	2.3
71.05000	12.5
81.07054	2.3
83.08619	0.9
84.08130	1.8
85.02917	2.8
85.06556	1.8
91.05474	3.3
93.07053	4.4
95.04986	0.7
95.08612	5.7
97.02907	1.3
97.06512	1.3
98.20774	0.6
99.04468	38.8
103.05461	1.5
105.07053	1.3
107.08611	4.0
109.06538	0.7
109.10172	2.7
112.11243	2.1
113.09657	4.2
115.07573	2.1
119.08609	3.4
121.06514	6.8
121.10132	1.9
122.06834	1.1
123.08055	1.6
123.11728	3.7
125.09635	2.0
127.03909	0.9
133.10178	3.7
135.11713	14.5
137.05975	1.5
137.09579	0.7
139.11212	1.2
141.09166	0.7
141.12756	1.8
145.04889	0.8
147.11775	0.6
149.13242	1.9
151.14859	2.1
153.12770	1.2
172.11171	0.8
175.14845	5.1
185.04210	1.8
193.15891	5.6
211.16954	100.0
212.17174	0.7
238.84766	0.6
247.09515	1.7
317.66141	0.9
409.14511	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06599	1.1
70.49348	2.3
85.02896	1.4
89.48104	0.8
90.87364	0.7
95.04967	1.0
97.02902	0.9
105.07072	1.0
121.06503	2.3
125.68639	0.8
133.97165	0.7
138.73224	0.7
151.03912	3.2
152.04230	2.2
152.82744	0.8
156.08173	0.8
158.46107	0.7
192.28162	0.7
212.06348	1.7
305.09943	1.5
323.10986	2.1
349.07584	0.9
365.12112	18.2
409.11072	100.0
410.11569	2.2
424.63501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.9
56.05841	1.6
58.99588	2.5
70.74479	2.3
73.20208	0.9
76.02221	1.3
76.04037	0.9
79.76859	0.9
83.08631	4.3
84.04506	3.1
84.08957	3.3
86.99068	1.5
97.87537	0.9
107.85144	0.9
116.01678	8.4
117.02065	1.1
144.01190	2.9
145.01373	1.4
159.08446	3.1
160.08727	3.8
162.02208	12.0
163.02663	4.3
173.55205	0.9
226.44620	0.8
230.27512	0.9
262.11145	3.1
263.11371	6.5
271.04288	1.0
280.14017	4.2
323.10977	3.5
334.15265	1.2
365.12103	26.7
365.16730	1.5
409.11084	100.0
410.11212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	4.9
56.96806	0.9
57.03432	1.7
61.02921	2.0
69.03436	3.9
70.06589	0.9
70.09036	3.2
71.04997	1.4
73.02929	2.3
81.03408	1.1
84.96030	1.5
85.02921	8.2
87.04459	0.9
91.05489	1.1
97.02893	4.8
98.96939	0.9
98.97591	18.0
99.04450	1.1
101.00895	1.5
107.04998	0.8
108.28748	0.7
109.02887	1.0
110.97568	5.2
112.99165	2.4
116.98621	3.7
119.01911	1.9
119.64185	0.8
124.99166	1.7
127.00748	0.9
127.02359	1.0
127.03970	0.9
128.98613	3.1
131.00200	2.7
133.01746	1.9
133.03491	1.3
137.05986	3.9
140.98613	0.8
143.00188	3.2
143.01926	2.3
144.98152	1.1
145.04933	1.8
146.99687	1.4
152.98564	1.6
154.94217	2.0
155.01797	0.9
157.03477	1.9
158.99701	6.3
161.01253	1.0
161.02972	1.4
162.46378	0.8
163.03944	2.8
167.07080	1.1
170.99648	1.7
175.02795	2.3
176.76056	0.8
177.00749	3.2
177.05470	1.3
182.99667	1.5
187.02995	1.0
189.00752	1.4
193.03914	1.1
201.00790	2.5
203.02420	1.1
205.05611	2.1
214.05769	0.9
219.01776	10.1
220.06181	1.0
221.03284	1.1
223.06694	1.5
229.03847	1.5
237.02798	9.8
249.03062	1.1
251.06871	1.4
265.07840	1.2
277.05991	6.2
295.07059	12.3
349.08255	1.8
409.10922	100.0
410.11325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1111
Annotation	Khellol glucoside
Peak:m/z	Relative Intensity
55.68877	2.2
59.37569	2.0
65.77473	1.8
71.57481	3.2
85.02904	3.0
122.59979	2.3
143.01912	2.2
219.39764	2.3
239.45401	2.2
409.11148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01993	0.6
62.16777	0.5
69.32537	2.3
69.32959	2.1
70.70349	0.5
91.05461	3.3
93.07066	0.6
94.86254	0.6
98.21630	0.9
103.05501	1.0
106.49724	0.6
115.05424	2.8
117.05790	1.0
117.07026	2.3
118.06551	49.0
121.06524	2.1
122.06847	0.7
130.06581	1.1
137.05872	0.5
142.06546	4.2
143.07318	4.8
144.04488	2.7
144.08093	22.2
144.09229	1.2
146.06017	100.0
147.06329	0.9
160.07555	0.8
162.05522	1.3
170.06023	6.3
172.03900	0.7
176.07121	2.7
176.08411	0.6
178.08643	13.5
188.07074	94.1
189.07356	1.2
204.06525	2.7
222.07631	21.2
236.09061	0.6
247.07419	0.7
247.09483	6.7
280.08069	1.3
407.19800	0.6
409.13840	27.1
409.18311	9.6
410.14389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1474
Annotation	5,3',4'-Trihydroxybibenzyl 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	1.5
61.98232	0.9
65.11494	1.0
69.61467	5.6
69.61857	1.9
70.82509	0.9
71.05012	1.3
71.66587	1.0
80.10809	0.8
85.02909	1.2
91.04978	1.3
91.05489	18.0
93.07056	6.6
95.04958	1.4
95.08603	1.2
99.04456	7.8
100.04790	2.3
103.05508	4.3
103.06042	0.9
105.04450	1.3
107.08594	0.9
108.87733	0.8
119.04971	5.3
121.06520	35.3
122.06782	1.6
135.11629	1.4
136.12006	1.5
137.05035	1.2
137.05986	18.7
147.10519	1.2
172.11191	3.3
173.11920	1.1
174.09097	1.3
178.08591	1.4
185.04233	33.5
190.12186	1.3
200.10640	2.0
204.10139	2.9
206.11688	2.0
211.16940	8.7
212.15518	1.2
212.17297	14.8
219.21870	0.9
219.44330	0.8
230.08096	1.1
232.09639	2.0
232.13321	3.7
247.09425	31.0
264.15930	2.4
276.12344	2.2
325.14111	2.1
406.49081	0.9
409.14529	100.0
409.67969	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67760	1.3
56.96553	2.4
71.56950	1.1
73.46173	1.1
77.03899	1.0
98.97577	2.6
110.53766	1.3
110.97595	1.8
115.84637	1.1
219.01793	2.1
233.93056	1.4
237.02882	2.4
247.09485	10.4
308.54089	1.5
328.82281	1.3
370.56277	1.3
409.16141	100.0
410.16483	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	409.1625
Annotation	Pestalospirane A
Peak:m/z	Relative Intensity
50.29958	1.4
56.96579	1.8
69.62642	1.4
71.11233	3.8
98.97589	8.7
110.97591	2.4
112.19630	1.4
114.18925	1.5
116.98578	2.0
133.45428	1.4
144.88593	1.4
146.19835	1.4
219.01819	2.3
222.42181	1.5
237.02837	1.8
247.09422	8.9
307.12198	4.8
409.16153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
55.01872	5.5
55.05519	1.9
56.96571	3.5
57.03437	3.2
61.02906	2.7
67.05498	6.3
69.03432	7.4
70.06597	9.1
71.04994	4.4
71.58384	2.6
72.08157	3.3
75.61604	1.8
79.05497	11.6
81.03416	5.9
81.07066	28.7
83.05004	3.1
84.04491	1.8
84.08142	6.5
85.02905	11.8
86.09714	5.0
89.03928	3.5
91.05496	5.6
93.07040	5.8
95.04979	5.6
95.08624	13.9
97.02904	3.8
98.97581	5.3
99.08047	2.9
99.96046	1.4
102.90019	1.4
105.07049	17.7
107.04965	5.1
107.08575	3.3
109.02860	2.7
109.06531	42.9
111.04455	1.6
111.08121	2.3
112.07608	6.8
116.98650	1.7
117.03367	5.2
119.04934	2.1
120.08058	2.3
121.06525	4.9
123.08097	15.7
125.06015	7.5
127.03936	3.6
129.10283	2.1
130.08592	2.3
133.06519	18.6
135.04446	2.9
135.08051	2.5
136.07565	4.6
137.05989	54.6
138.06334	2.3
139.07570	12.4
140.07071	5.1
143.00166	1.6
145.02867	9.3
147.04443	2.3
149.05997	5.8
151.03926	2.9
151.07556	26.5
155.07045	78.4
161.06001	6.8
163.03903	3.8
165.05449	2.1
166.07271	3.7
167.07079	5.3
168.07481	1.7
169.08618	100.0
177.05476	12.7
178.05815	3.8
179.07060	12.9
181.08656	3.9
182.17993	1.4
183.10205	10.6
183.11592	1.9
193.08641	4.1
197.08110	21.5
211.09679	74.9
212.09865	1.6
215.09201	7.1
219.01813	3.4
229.10725	23.8
233.02913	1.8
237.02882	2.1
243.40994	1.6
400.39722	1.6
409.11069	22.4
409.15564	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
54.96849	2.6
55.01874	3.9
56.96552	5.2
57.01675	2.4
57.03421	8.8
57.85761	2.7
60.48242	2.7
63.27279	3.1
67.05515	4.3
69.03423	8.7
70.06596	13.1
70.91811	5.8
71.04985	7.3
72.08155	2.7
73.02908	3.2
75.90381	2.7
79.05486	8.2
81.03415	7.6
81.07068	18.1
83.04969	6.4
84.08141	5.4
85.02900	25.3
86.09710	4.8
89.03913	3.6
91.05466	12.1
93.07048	4.8
95.04951	4.3
95.08600	11.0
97.02872	7.9
98.97614	13.2
99.04488	2.6
105.07035	13.1
107.04966	8.8
109.06528	30.3
111.04482	5.4
111.08026	2.9
112.07584	6.4
116.98645	4.6
117.03395	7.6
121.06532	6.1
123.08049	17.4
125.05979	10.9
126.06313	3.0
127.03917	3.2
128.98590	2.8
130.08586	2.9
133.06477	14.6
135.04436	2.6
137.05980	69.8
138.06346	19.0
139.07538	12.0
140.04753	3.3
143.00182	3.3
145.02872	10.9
147.04396	4.2
147.08128	2.8
149.06007	7.2
151.03844	3.8
151.07500	20.6
152.07973	3.5
155.07039	64.4
157.09969	3.3
161.05952	5.9
163.03889	6.5
165.05399	3.9
166.07246	7.4
167.07050	12.6
168.07362	6.5
169.05013	3.0
169.08607	100.0
177.05470	13.6
178.05751	4.8
179.07072	13.8
183.10162	4.9
189.00621	2.9
193.08612	8.6
197.08022	19.5
211.09677	69.3
212.10002	7.7
215.09241	3.1
219.01744	7.1
229.10727	23.0
233.02762	4.8
273.06479	3.0
281.08344	2.7
285.06250	2.7
297.06573	2.6
347.11526	2.8
365.12030	4.6
409.11099	56.6
409.15887	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46447	0.3
70.06585	0.4
71.08309	0.5
71.08651	0.6
169.08629	0.6
169.41101	0.4
185.04254	0.6
204.48375	0.3
247.05756	2.4
295.06076	1.1
307.05692	0.4
321.07568	0.4
325.07040	3.6
349.10208	0.5
409.11053	18.5
409.18307	100.0
410.11545	0.4
410.18570	1.5
410.23721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.5
53.03941	4.3
54.67139	1.2
55.05498	5.4
56.96564	1.1
59.32235	1.3
65.03934	3.5
67.05504	8.0
69.03410	4.4
69.07051	4.5
69.34255	10.5
71.04974	3.8
74.21638	1.2
79.05506	10.3
81.03404	1.8
81.07067	18.5
83.05003	6.3
85.02908	3.5
85.06569	7.2
87.04446	2.5
91.05483	43.4
93.03413	2.8
93.07054	50.7
95.04971	17.0
95.08609	6.2
95.70467	1.4
97.06542	8.4
99.04468	13.7
101.05993	4.0
103.05437	4.4
105.04533	2.2
105.07036	39.8
107.04951	2.2
107.08599	12.2
109.06532	9.2
109.10165	2.0
111.04462	7.2
115.05489	3.0
117.07027	5.9
118.06556	51.6
119.04940	14.2
119.07800	1.9
119.08593	29.2
121.02875	2.1
121.05651	2.6
121.06516	50.2
121.10117	3.5
122.06842	2.6
127.07565	6.3
129.06992	3.5
131.08568	5.1
133.06494	1.5
133.10133	15.2
134.89792	1.2
135.08002	1.7
137.05988	73.9
139.03889	5.8
139.07532	10.3
142.06516	3.8
142.07748	3.1
143.07303	4.5
143.08543	7.5
144.04477	3.3
144.08092	20.7
145.10149	10.0
146.06023	100.0
147.04434	11.8
147.08009	3.4
147.11702	41.3
149.02390	1.6
151.07527	3.9
155.08640	1.7
156.09352	3.8
157.10127	10.2
159.11749	2.0
160.07603	1.9
161.09633	1.8
161.13268	9.0
162.05461	2.4
164.07062	4.0
167.03392	1.9
169.10168	2.0
170.06078	7.6
171.11679	12.7
175.11205	8.5
176.07060	6.3
178.08635	20.1
181.04913	6.6
185.04312	1.4
188.07080	75.2
189.12752	25.6
193.12241	6.3
199.11201	8.5
201.16484	1.5
204.06546	4.6
207.13817	19.1
217.12267	28.3
222.07629	26.1
235.13330	17.0
250.10788	1.6
253.14323	7.1
310.12711	2.6
330.69049	1.4
363.17944	4.8
391.17551	14.2
409.13867	31.4
409.18585	8.0
425.27911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19781	0.7
55.01833	0.8
55.05492	1.5
62.06078	0.9
63.56004	0.7
67.05480	1.0
69.03432	28.4
70.06583	1.6
71.04982	2.4
79.05499	1.1
79.50045	0.8
81.03445	0.8
81.07041	1.8
84.08161	1.7
85.02915	3.5
86.09710	0.8
87.04480	0.8
91.05460	1.7
93.07034	1.4
95.05011	0.8
95.08602	1.7
97.02926	1.0
98.97576	1.6
105.07070	1.0
106.05067	1.1
107.08596	2.0
109.10188	1.0
113.09626	1.9
121.06532	4.0
123.11746	1.1
125.09638	100.0
127.03927	1.0
127.07566	0.9
127.11205	2.5
133.10120	1.0
135.11707	1.2
137.09584	0.8
155.10684	0.9
163.03993	1.0
169.12273	0.9
193.15962	1.1
207.34421	0.7
211.16953	48.6
229.18016	20.7
247.19083	7.7
301.48914	0.7
340.94833	0.8
409.18652	27.2
410.18991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13727	0.5
50.14000	0.5
53.61787	0.5
55.05520	1.3
56.96571	3.1
57.20154	0.5
65.03941	1.0
67.05511	2.6
69.07067	2.0
69.60026	0.5
70.36486	0.5
71.05003	0.7
71.56838	0.9
71.75871	0.5
79.05492	2.1
81.07063	5.2
86.09684	0.6
90.09894	0.5
91.05505	2.8
93.07040	4.6
95.04941	0.6
95.08616	5.9
103.05476	0.6
105.07075	3.4
107.08598	4.7
109.06536	0.7
109.10172	3.2
117.07029	0.7
119.08580	2.8
121.06529	3.9
121.10165	3.5
123.11720	1.5
131.08583	1.6
133.10149	4.2
135.08058	0.8
135.11685	1.3
143.08546	0.8
145.10158	2.9
147.11720	2.0
149.02448	0.6
149.13289	1.3
151.11206	1.5
157.10126	1.1
159.11719	2.4
161.13257	1.0
163.03908	0.7
163.14885	1.1
171.11711	0.9
173.13310	0.8
175.14835	1.0
177.16382	1.4
181.05031	1.8
183.11690	0.8
187.14827	2.1
189.16324	0.8
191.18102	0.7
199.06386	0.7
201.16414	0.7
203.18027	1.9
205.15894	1.1
213.08044	1.6
217.07489	1.1
229.07443	2.9
231.09023	1.2
243.08968	1.1
247.08644	1.5
292.05249	0.6
300.39517	0.5
331.15860	0.8
349.16846	7.6
367.18018	2.0
390.19604	0.9
391.33740	0.5
409.25665	100.0
409.34708	5.6
410.26245	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01859	0.6
55.05518	2.5
55.46149	0.3
56.96575	2.0
57.07066	0.9
58.43951	0.4
67.05222	0.5
67.05510	4.7
69.03419	1.2
69.07074	3.2
69.16238	0.4
69.61796	0.8
69.62215	1.9
71.04976	0.7
79.05495	3.9
81.07058	9.7
83.04964	1.5
83.08620	2.0
84.10463	0.4
85.06538	0.5
91.05482	5.9
93.07045	8.4
95.04980	1.8
95.08609	14.3
97.06507	0.5
97.10175	1.2
98.97596	0.4
99.08099	1.3
100.76045	0.3
103.05428	0.8
105.07034	10.3
107.08601	11.2
109.06496	1.0
109.10162	9.3
111.08083	1.8
117.07008	1.0
119.04982	0.4
119.07793	0.7
119.08592	10.9
119.28159	0.4
120.08946	0.4
121.06506	5.1
121.10144	10.0
123.08094	1.1
123.11703	4.3
125.09613	1.0
129.07028	0.8
131.07677	0.6
131.08556	4.3
133.10141	8.3
135.08002	0.5
135.11697	5.7
137.05954	2.1
137.09592	0.6
137.13255	1.1
138.06305	1.6
139.06502	0.4
142.07803	0.4
143.00111	0.4
143.08575	2.3
145.10135	6.9
146.10399	0.4
147.11710	4.8
149.09535	0.6
149.13266	3.7
150.05505	0.4
151.11221	0.8
153.12755	0.6
155.08578	0.4
157.10124	1.5
158.10846	0.6
159.11717	4.6
160.12054	0.5
161.13300	3.5
163.11145	0.7
163.14842	3.4
169.10143	0.7
171.11731	1.5
173.13275	2.7
175.14822	4.9
177.12909	0.5
177.16406	6.6
183.11731	0.9
185.13298	1.3
187.14824	20.3
188.15253	0.9
189.16428	5.0
191.14348	0.8
191.17973	4.5
193.15962	0.9
195.17293	0.4
197.13339	0.5
199.14818	1.2
201.16399	5.3
203.17989	4.4
205.15875	2.6
206.57703	0.4
213.16389	2.9
214.16577	0.5
215.18085	2.0
216.18326	0.4
217.16022	0.6
217.19553	3.5
219.17476	2.8
225.16335	0.6
227.17998	1.8
228.18353	0.4
231.17511	0.4
231.20999	0.4
235.20630	0.4
237.16241	0.4
239.17918	0.7
241.19559	1.3
243.21141	0.8
245.22679	0.8
253.19440	0.7
255.21025	0.5
255.43733	0.4
257.22601	1.2
267.21063	0.9
269.10577	0.4
269.22501	1.0
281.10568	0.8
281.22745	0.4
283.12216	1.1
283.24423	0.6
285.22079	0.5
295.15240	0.7
295.24097	0.4
311.84726	0.4
331.15726	0.4
337.24258	0.4
349.16943	0.8
363.30484	0.9
368.22781	1.7
368.72943	0.4
377.23474	4.3
377.73529	1.0
379.73727	0.4
386.24005	1.3
388.74161	2.8
391.33453	2.1
397.74896	0.4
409.25644	100.0
409.33923	12.1
410.25992	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
55.05514	5.2
57.07072	3.7
67.05511	24.7
69.03436	2.3
69.07079	10.4
71.05001	4.2
71.57045	1.5
79.05513	6.9
81.07065	19.3
81.70052	1.2
83.04977	2.0
83.08623	2.7
85.06533	2.4
89.70271	1.2
90.50832	1.2
91.05501	8.1
93.07058	14.1
94.33883	1.3
95.04975	10.4
95.08601	13.0
97.06554	2.2
97.10193	1.4
98.97623	1.6
105.07037	19.9
107.08605	12.3
109.06542	3.7
109.10166	100.0
117.07022	3.7
118.33575	1.1
119.08590	13.1
121.06488	6.5
121.10149	8.3
123.08084	2.8
123.11712	3.0
127.11188	14.1
128.06155	2.1
129.07027	1.5
130.53467	1.3
131.07692	1.2
131.08549	6.9
133.10144	7.9
135.08073	1.9
135.11699	3.8
137.09659	1.7
142.07791	3.5
143.08575	5.7
145.10133	12.9
147.08107	3.7
147.11690	9.5
149.09581	2.1
149.13266	2.9
151.07559	3.4
151.14665	1.3
155.08568	3.9
157.10159	10.8
159.08089	1.7
159.11716	8.8
161.09677	1.8
161.13293	2.2
163.14799	1.7
165.09172	2.2
169.10135	3.1
171.11719	3.1
173.11684	1.3
173.13275	3.4
175.11226	4.0
175.14857	3.8
177.16382	2.7
183.11763	4.7
185.13264	2.3
186.71008	1.5
187.14745	2.4
196.12494	1.4
197.13269	2.6
199.11200	1.6
201.12921	1.3
201.16479	2.1
203.14331	2.3
203.18033	2.0
207.94879	1.2
209.13249	2.2
211.14842	2.9
213.16449	2.1
221.13300	2.6
221.15404	9.0
234.16107	1.4
235.14980	1.4
239.14331	3.3
273.18616	2.0
306.17947	1.4
314.35779	1.4
409.27444	13.6
409.34824	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	409.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69678	0.3
53.03947	1.3
55.01855	0.3
58.96182	0.2
64.73257	0.2
69.07069	0.3
70.89027	0.3
70.89351	0.5
75.31097	0.3
77.03922	0.4
81.07053	0.7
81.07485	0.3
91.05484	5.0
93.07055	7.7
95.04991	1.4
99.22918	0.3
103.05484	5.2
105.04549	0.6
105.07054	0.5
107.08594	0.3
115.39828	0.2
119.08562	0.3
121.06516	100.0
122.06871	0.7
124.42559	0.2
127.15863	0.3
135.11732	0.3
166.28035	0.3
185.70204	0.3
211.17365	0.2
253.21533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.05267	2.3
55.05513	30.4
55.81607	1.8
55.90832	2.0
57.07064	5.5
57.07755	1.6
65.66325	2.0
67.05502	22.4
69.06724	2.7
69.07068	29.1
70.46712	5.3
70.47095	3.3
71.08601	2.1
77.03893	2.0
77.49036	2.1
79.05498	19.1
81.07065	42.0
82.97513	1.5
83.08150	3.2
83.08624	62.1
85.06528	2.0
89.75741	1.9
91.05489	20.3
91.06020	2.8
93.06483	2.7
93.07047	44.4
95.04993	2.2
95.08612	79.8
97.10167	6.8
99.08064	2.5
103.05452	2.1
105.07039	52.1
107.08597	87.5
109.10160	47.3
117.07011	9.6
119.08587	100.0
120.08978	1.9
121.10149	62.8
123.11720	16.0
129.06987	5.2
131.08577	31.6
133.10138	45.3
135.11697	32.6
137.13239	7.7
142.07744	2.2
143.08580	14.1
144.09395	4.3
145.09044	3.7
145.10130	57.1
147.11696	40.4
149.13271	29.7
151.14906	2.8
153.09111	4.3
155.08623	1.9
156.09344	2.3
157.10143	19.1
158.10899	2.8
159.11703	45.3
161.13261	26.2
163.07491	4.6
163.11130	3.2
163.14824	38.7
165.12729	2.0
168.92892	2.1
169.10139	3.1
171.11719	15.7
173.09633	2.0
173.13264	27.7
175.13303	3.3
175.14827	47.9
177.16397	33.9
183.11716	6.0
185.03958	2.0
185.13272	18.4
187.14839	57.1
188.15233	2.1
188.22369	2.0
189.16415	34.8
191.17998	12.4
193.15875	3.1
197.13223	4.5
199.14828	18.0
201.16379	34.1
203.17973	22.0
205.12247	2.7
205.15817	4.2
205.19519	2.9
207.17429	2.0
209.13254	4.1
211.14813	5.1
213.16411	13.3
214.17149	2.8
215.14317	3.0
215.17917	8.5
217.15956	2.3
217.19485	6.9
219.17461	5.0
225.16388	4.6
227.17934	8.6
229.19487	7.1
231.17436	2.6
231.21056	2.9
233.15247	4.4
237.16267	2.2
239.17880	5.3
241.19424	10.0
243.21030	4.0
245.15433	4.2
247.16936	3.9
251.17989	2.4
253.19627	5.5
255.21111	7.6
256.21680	2.0
257.22583	5.8
265.19373	2.2
267.21130	4.5
269.22623	3.5
271.16949	2.9
279.20996	3.8
281.22498	3.6
285.18658	3.5
285.21698	2.1
293.22733	3.3
295.24149	3.3
307.24188	4.6
321.25806	3.3
323.27121	2.8
325.21512	3.7
327.23224	5.3
337.28958	2.6
339.23196	3.4
351.30548	3.6
353.24759	7.2
363.30493	13.4
391.33652	10.9
409.30826	52.1
409.34708	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.05515	34.7
57.01817	2.6
57.07068	5.5
58.62922	1.6
65.03948	2.5
67.05506	20.1
69.07074	27.2
69.57671	6.7
69.58089	5.8
79.05515	14.7
81.07065	38.5
83.08628	82.9
91.05492	21.1
93.07053	42.5
95.04977	2.6
95.08622	68.5
97.10191	4.2
98.21567	3.1
105.07047	45.2
107.08607	78.2
109.06537	3.2
109.10168	36.6
111.08060	2.9
117.07035	6.2
119.08594	100.0
120.08948	1.7
121.10161	54.9
123.08060	2.1
123.11733	13.7
125.06028	1.9
129.06979	3.5
130.07701	2.1
131.08595	27.8
133.10149	47.3
135.08009	2.2
135.11720	23.7
137.13254	4.8
139.07530	2.6
142.07814	2.6
143.08618	8.2
144.09445	2.3
145.10147	41.4
146.10487	1.9
147.11722	29.1
149.13272	22.3
151.07561	3.3
151.14874	2.2
153.09164	4.2
156.09375	2.1
157.10153	8.0
158.10922	3.8
159.11699	37.7
159.12988	1.9
161.09550	2.7
161.13303	19.1
162.38901	1.9
163.07558	5.5
163.11244	4.4
163.14859	29.3
169.10187	5.6
170.10973	3.0
171.11745	11.3
173.13280	21.6
175.14854	47.6
177.16417	31.8
181.12177	2.7
183.11684	5.7
184.12442	2.3
185.13304	12.1
187.14841	39.9
188.15225	2.9
189.16405	25.2
191.17940	6.3
195.11758	3.1
197.13304	5.6
199.14804	12.2
201.16389	26.0
203.18007	24.3
205.12248	3.0
205.15883	15.8
209.13243	2.4
211.14728	4.1
213.16438	8.9
215.14355	6.6
215.18050	7.0
217.19440	3.6
219.13885	3.6
225.16551	3.2
227.17998	6.5
229.19545	7.2
231.13864	2.2
233.15428	5.8
239.17960	3.4
241.19537	7.3
245.15410	3.9
247.16870	3.5
255.21143	4.5
256.21939	2.8
257.22656	2.6
267.21100	3.7
279.20996	2.7
281.22470	3.7
285.18561	2.2
293.22534	3.0
299.20300	2.3
307.24216	4.8
325.21518	3.2
327.23178	5.6
339.23233	3.9
341.24979	2.7
353.24725	7.6
363.30432	16.3
391.33463	7.1
409.30353	58.4
409.34857	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	409.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45694	1.9
50.78023	2.1
51.51815	1.7
52.99779	1.8
53.03941	3.5
54.75227	2.4
55.05515	32.9
56.96557	2.0
57.07068	6.7
61.09867	1.9
65.16840	2.1
67.05505	27.4
69.06722	3.3
69.07072	37.3
71.57032	3.1
76.14136	2.1
78.91056	2.3
79.05489	17.6
81.07063	53.6
83.08141	4.4
83.08622	73.0
85.02863	2.1
91.05480	25.2
93.07050	43.1
95.04948	2.7
95.08607	64.5
97.06535	3.9
97.10173	6.0
103.05471	3.2
104.10700	2.2
105.07031	47.1
107.07867	4.7
107.08600	90.8
109.06498	4.2
109.10154	52.0
111.11708	4.1
117.07027	10.8
119.08584	100.0
121.06499	6.5
121.10143	62.7
123.11720	32.4
125.09657	2.4
128.06219	4.0
129.07013	5.2
131.08565	25.0
133.10139	46.7
135.08083	3.1
135.11702	56.8
137.09593	2.6
137.13307	4.7
142.07759	2.9
143.08595	12.2
145.10138	46.5
147.11700	36.8
149.09627	2.6
149.13274	18.6
151.07523	3.2
151.11156	2.7
151.14793	5.3
153.09091	6.9
155.08540	6.2
156.09291	4.6
157.10118	17.9
159.08109	2.2
159.10455	3.4
159.11687	40.2
161.13275	27.3
163.07558	7.5
163.11252	2.8
163.14828	28.6
169.10132	8.0
170.10927	3.1
171.11703	14.1
173.13266	26.1
175.14841	47.6
177.16400	26.3
181.10184	3.8
183.11720	8.0
183.74715	2.3
184.07332	3.2
185.13297	18.0
187.11263	3.2
187.14827	37.2
189.16411	22.5
191.17966	6.2
195.11691	4.3
197.13283	6.7
199.14830	16.9
201.16351	25.9
203.18039	12.6
209.13237	6.1
209.15218	2.6
211.14787	9.2
213.16435	8.1
215.14345	7.4
215.17953	10.3
217.19640	2.5
219.13791	5.5
223.14786	4.5
225.16556	4.3
227.17914	7.2
229.19527	7.9
231.13837	3.2
231.21191	2.3
233.15384	8.0
239.18002	3.9
241.19540	12.2
243.21121	3.1
245.15459	3.6
245.22592	3.7
247.16861	3.7
251.17928	4.2
253.19554	5.6
255.21111	6.9
257.22696	5.3
259.01273	3.1
259.17010	3.1
265.19592	3.6
267.21118	12.0
269.22659	7.7
273.18256	2.8
279.21054	4.1
281.22549	5.7
282.23419	4.1
285.22147	9.6
292.22208	2.4
293.22736	4.6
295.24100	2.9
307.24185	6.0
321.25769	3.5
327.23184	7.2
339.23242	4.0
353.24680	6.4
363.30505	13.9
391.33688	14.4
409.22455	5.0
409.30804	54.0
409.34723	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.4
57.06786	6.9
57.07077	100.0
65.97816	4.4
67.05511	14.9
69.07077	30.8
71.06503	10.0
71.08633	81.2
79.05473	11.4
81.07053	35.5
83.08612	17.0
85.10184	59.2
89.06049	9.2
91.05489	11.3
91.81655	5.0
93.07043	21.0
95.04979	6.2
95.08616	51.2
97.10179	14.3
99.11709	6.5
105.07038	22.2
107.08590	31.1
109.10158	22.3
111.11796	5.9
118.49580	4.3
119.08579	28.8
121.10168	18.0
123.11702	9.5
127.07564	4.4
131.08600	12.4
133.10143	14.4
135.08072	6.8
135.11694	7.8
137.13263	12.1
145.10139	19.5
147.11719	11.5
147.74602	4.3
149.06010	9.2
149.09688	8.6
149.13274	8.8
151.07555	39.6
159.11732	8.0
161.13359	10.1
163.07541	18.6
163.11150	6.3
163.14818	8.5
165.09108	39.8
167.06990	4.6
173.13322	8.0
175.14864	9.3
177.09167	22.0
177.12772	4.8
177.16541	5.5
179.10718	22.6
181.08650	4.6
187.11272	8.1
187.14865	5.6
189.16417	5.0
191.10555	6.3
195.12210	4.6
201.16370	5.4
205.12265	8.1
209.11708	4.9
219.13818	8.3
233.15352	7.5
265.18118	5.2
288.89816	5.1
345.31274	4.5
373.31073	5.4
409.34268	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	409.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	15.2
55.05509	31.7
57.07077	51.3
67.05499	20.6
69.07069	77.8
69.54142	25.3
69.54568	21.2
71.08625	39.0
79.05500	12.9
81.07055	49.6
83.08628	48.7
85.10188	16.6
86.09690	12.5
87.70261	6.4
89.06056	13.7
90.46898	6.0
90.70857	5.6
91.05485	7.2
93.07047	30.1
95.08610	56.4
97.06569	7.5
97.10198	31.7
102.32516	6.8
105.07018	20.1
107.08598	18.7
109.10188	33.9
110.83709	6.7
111.08151	7.2
111.11710	21.0
119.08572	19.4
121.10152	25.9
121.87004	5.8
123.08048	7.0
123.11727	17.3
125.02334	30.0
125.13251	8.6
127.03947	31.9
128.78551	6.1
131.08597	13.3
133.10132	15.9
135.11720	18.6
137.13220	14.2
139.07532	13.3
139.14915	8.8
141.74290	7.7
145.10172	15.8
147.11661	15.7
149.09621	10.3
149.13289	17.1
157.10297	10.2
159.11731	7.2
161.13301	7.3
163.14854	9.3
165.16431	6.5
169.08600	26.4
173.13254	11.9
175.14914	9.7
176.49380	6.6
177.09178	22.3
177.16341	8.8
183.10184	9.4
187.14867	14.0
195.10178	21.3
195.12224	10.9
251.16374	6.6
253.11481	7.3
265.18088	7.2
312.79919	6.6
345.31586	14.3
365.14316	6.6
370.41208	8.2
373.31049	25.0
391.31979	100.0
409.34564	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05264	0.7
55.05515	10.5
57.07084	2.9
65.03959	0.6
67.05502	5.2
69.06722	0.8
69.07075	14.6
69.47227	0.4
69.51995	3.3
71.08639	1.6
77.83758	0.4
79.05499	5.0
79.64563	0.4
81.07065	17.5
83.05001	3.6
83.08623	8.3
84.18721	0.4
84.99707	0.5
85.10178	0.7
88.22764	0.4
91.05498	4.6
91.96409	0.5
93.07051	8.5
95.08051	0.7
95.08612	10.8
95.09172	1.0
95.18840	0.4
97.06544	6.5
97.10181	5.0
105.07045	10.1
107.04990	0.7
107.08597	10.1
109.06534	1.8
109.10171	6.7
111.11720	1.4
117.07007	1.1
118.91527	0.5
119.08595	6.6
121.06547	0.7
121.10140	5.2
122.65813	0.5
123.08071	1.2
123.11753	2.6
125.20025	0.5
128.06171	0.6
129.06973	0.7
131.08571	2.3
131.43251	0.5
133.06509	1.1
133.10117	8.2
135.08095	0.7
135.11687	5.2
137.13287	1.8
143.08565	1.8
145.06384	0.6
145.10127	3.1
147.08070	2.6
147.11708	4.8
149.09581	3.7
149.13277	2.5
155.08577	0.5
157.10115	2.4
159.08052	0.9
159.11731	1.4
160.08849	0.5
161.09621	8.2
161.13272	9.2
163.11227	3.3
163.14801	1.3
169.10139	0.9
171.11732	2.1
173.09636	5.0
173.13289	1.3
175.11182	7.1
175.14816	4.0
177.12651	0.7
181.10300	0.5
183.11765	1.2
185.13290	0.9
186.48708	0.5
187.11201	0.8
187.14859	1.2
189.12811	1.1
189.16376	1.8
195.11656	0.7
197.13190	0.6
199.14926	0.7
201.12839	1.1
201.16461	0.5
203.18051	0.8
211.14929	0.8
213.12726	0.5
215.14398	1.2
215.17914	0.6
217.19615	0.6
227.14293	1.2
229.15981	0.8
243.17276	0.7
253.19569	0.7
255.17377	0.6
261.72888	0.5
271.20624	1.0
273.25769	5.0
297.22070	1.2
311.23682	5.3
351.30569	0.6
374.18225	0.6
409.34671	100.0
410.35162	2.2
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
51.03105	1.2
53.03937	4.8
55.05517	20.3
57.03429	2.5
57.07071	3.2
58.87352	1.2
61.02926	9.4
65.03944	2.8
67.05172	1.6
67.05508	22.0
69.03432	96.3
69.07073	15.1
71.04993	8.4
71.08611	1.3
79.05499	10.9
81.03412	8.5
81.07063	33.3
83.04984	54.1
83.08630	9.0
85.02913	4.2
91.05487	11.0
93.07040	20.5
95.04974	2.9
95.08611	44.4
97.06523	3.3
97.10181	3.7
98.20676	1.8
99.04458	27.8
105.07035	26.8
107.08604	24.9
109.06527	2.5
109.10159	20.1
111.04451	17.9
117.07006	2.6
119.08587	19.1
121.10147	24.3
123.08096	2.4
123.11713	9.4
128.06169	1.6
129.05486	100.0
131.08578	8.3
133.10121	19.9
135.08009	1.8
135.11700	10.7
137.13257	3.4
143.08569	3.9
145.10109	11.5
147.11684	12.5
149.13257	11.5
151.11113	1.4
155.08580	1.7
157.10146	3.5
159.11713	10.4
161.13268	6.8
163.11198	4.3
163.14821	11.8
165.12750	2.4
171.11726	1.8
173.13271	5.6
175.11130	1.7
175.14781	9.3
177.12788	2.8
177.16406	12.2
187.14856	12.2
188.78287	1.5
189.16394	20.3
191.17915	4.7
195.17654	2.1
197.13219	1.8
199.14645	1.9
201.16362	7.2
203.17931	18.5
205.15889	10.2
213.16319	2.1
215.17963	6.2
217.19582	3.7
219.17448	1.6
221.15338	2.9
227.17982	3.1
229.19568	3.0
231.17459	2.2
241.19446	2.4
243.21066	2.0
263.23746	2.5
265.19553	1.8
391.33640	11.1
409.29358	26.9
409.34677	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.05512	13.8
57.07064	6.2
62.49995	1.8
67.05505	17.3
69.07069	17.5
69.39974	13.5
79.05489	13.3
81.07060	40.1
83.08618	7.7
85.06540	2.5
91.05487	12.4
93.07050	34.4
95.04951	2.1
95.08611	67.2
97.10163	4.3
105.07040	38.5
107.08595	54.7
109.10165	35.6
109.49722	1.8
111.08111	2.4
117.07076	4.3
119.08585	52.4
121.10148	49.5
123.11713	15.1
129.07016	3.6
131.08582	17.6
133.10150	31.2
134.32495	2.2
135.11710	25.3
137.13283	6.8
143.08586	8.7
145.10130	36.9
147.11694	26.8
149.13274	32.3
157.10170	10.3
159.11684	28.3
161.13246	18.4
162.22519	1.9
163.14830	32.3
163.16096	2.7
163.54767	2.1
169.10176	3.2
171.11819	9.7
173.13266	18.3
175.14803	18.2
176.15680	1.9
177.16412	23.9
183.11620	2.9
185.13295	7.8
187.14835	31.7
189.16391	34.9
191.17960	26.3
197.13263	2.8
199.14885	6.1
201.16389	23.0
203.17964	21.8
205.15898	6.6
205.19586	5.7
207.17535	4.5
211.14912	3.6
213.16364	11.8
215.17944	22.7
217.19597	8.6
219.17450	14.8
225.16399	3.0
227.17979	7.5
229.19597	12.1
231.21022	3.8
239.18047	2.8
241.19507	13.3
243.21266	4.7
247.20613	4.0
253.19594	5.8
255.21104	8.0
257.18970	2.5
257.22830	2.9
267.21036	2.4
269.22650	3.8
271.20544	2.5
281.22644	2.4
283.24203	2.3
285.22192	2.5
295.24045	3.6
349.28961	2.5
391.33603	34.4
409.34717	100.0
410.35049	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
55.05507	10.8
57.03449	1.1
57.07072	2.3
57.97857	1.1
67.05508	23.3
69.03434	1.1
69.07072	17.6
71.05002	1.3
71.08636	1.4
71.26511	2.2
79.05503	18.1
81.07063	51.6
83.04979	1.7
83.08627	9.0
91.05492	18.3
93.07053	42.2
95.04969	2.7
95.08612	100.0
97.06552	1.9
97.10172	3.4
105.07035	49.6
107.08601	61.3
109.06486	3.2
109.10166	37.7
111.08085	11.2
111.11724	2.2
117.07024	5.5
119.08589	49.8
119.09464	2.5
121.06487	1.7
121.10152	43.0
123.11716	14.1
128.06232	2.2
129.07028	3.9
131.08577	16.1
133.10135	33.3
135.08072	3.1
135.11710	26.1
137.09541	1.8
137.13283	3.5
139.11252	2.4
143.08566	10.8
144.09329	1.5
144.80231	1.3
145.10126	31.6
147.11699	33.4
149.13263	29.6
151.11214	1.2
151.14816	1.3
155.08600	2.2
156.09315	1.4
157.10144	10.2
158.10832	1.2
159.11694	23.3
161.09706	1.5
161.13264	20.7
163.14827	23.5
165.12811	3.1
165.16431	1.6
169.10158	2.0
171.11713	8.3
173.13268	16.3
175.14836	18.7
177.16394	17.9
177.17821	1.5
179.14336	2.1
183.11775	2.2
185.13286	8.5
187.14836	45.5
189.12701	1.3
189.16408	22.2
191.14384	1.8
191.17960	12.4
193.15921	2.0
195.17403	1.8
197.13457	1.4
199.14873	8.3
201.16399	17.5
203.14299	2.9
203.17957	21.6
205.15933	11.0
205.19604	3.5
207.17557	2.3
211.14767	1.8
213.16365	14.0
215.17979	9.8
217.16107	2.5
217.19629	5.6
217.21326	1.2
219.17455	4.5
225.16420	2.0
227.18034	5.4
229.19528	6.6
231.17461	3.1
231.21152	2.4
233.19060	2.8
235.20602	1.5
239.17950	3.0
241.19560	6.5
243.21051	5.7
245.19048	1.8
253.19467	2.2
255.21118	8.8
257.22687	1.5
259.20715	1.2
267.21155	3.7
269.22717	5.0
271.20593	1.2
271.24207	1.2
281.22543	1.9
285.25806	1.5
295.24222	3.3
313.25369	5.7
321.26120	1.2
339.26999	2.5
351.30496	6.1
391.33585	10.0
409.34695	78.8
410.35138	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97534	1.3
53.03929	2.1
55.05508	11.2
57.07071	4.1
65.03955	1.4
67.05180	1.5
67.05508	21.4
69.03416	2.1
69.07066	18.7
71.02792	1.7
71.03126	1.8
72.23320	1.1
73.06570	1.2
79.05488	15.4
81.06579	2.6
81.07059	47.0
83.04978	1.2
83.08625	7.6
85.06536	1.5
91.05473	15.8
93.06475	2.5
93.07045	40.0
95.04933	2.3
95.08607	67.0
97.10179	4.3
104.84775	1.2
105.04507	1.3
105.07034	34.1
107.08595	53.6
109.06537	1.2
109.10157	32.6
111.08090	1.3
111.11730	2.6
113.05956	1.7
115.05470	1.2
117.07019	7.2
119.04288	1.3
119.08579	45.8
120.40516	1.5
121.06538	1.2
121.10146	40.5
121.11027	2.0
123.11717	10.4
125.09565	1.5
128.06223	1.2
129.07008	4.2
131.08565	16.8
133.10138	28.9
135.11707	19.1
137.13222	3.8
140.21391	1.2
141.07065	1.2
143.08551	7.9
144.09373	3.1
145.10132	26.0
147.11693	24.8
149.09650	2.1
149.13260	51.4
155.08525	2.8
156.09299	1.4
157.10141	9.6
158.10887	1.5
159.11685	22.0
161.13245	17.6
161.14459	2.1
163.14836	27.4
165.12737	1.5
165.16341	1.6
169.10117	4.6
171.11765	8.6
171.13078	1.9
173.13245	13.8
175.14836	15.0
177.12848	1.8
177.16377	24.9
179.14304	1.6
183.11700	3.9
185.13223	7.0
186.14182	1.9
187.14836	23.1
189.16394	34.5
191.14336	2.8
191.17941	11.6
195.11635	2.0
197.13290	4.9
199.14809	6.6
201.16354	13.1
203.17953	19.2
205.15883	3.0
205.19519	2.1
211.14856	4.2
213.16385	7.4
215.17958	27.5
217.19525	5.6
219.17424	4.7
223.14798	1.4
225.16454	4.8
227.17958	7.7
229.19492	14.0
231.21121	3.5
233.18941	3.0
239.17993	3.4
241.19537	4.6
243.21063	5.2
245.18979	2.6
247.20609	3.2
253.19582	7.2
255.21138	6.6
257.22565	1.9
259.20514	2.4
261.21982	1.7
265.19510	1.6
267.21121	4.7
269.22678	3.9
271.20541	2.8
281.22675	5.1
283.24075	1.3
285.22003	2.7
295.24112	4.7
313.25378	1.8
321.25900	1.7
366.28870	1.7
368.24866	1.4
379.94144	1.2
381.35291	3.7
387.84952	1.4
391.28732	2.8
391.33627	33.0
409.34671	100.0
410.35043	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22582	1.5
55.05513	7.4
57.07072	3.5
57.28781	1.5
58.35098	1.4
64.25961	1.5
67.05504	12.0
69.03428	1.9
69.07068	27.8
70.82619	1.5
70.83011	3.5
71.18088	1.7
76.89867	1.4
79.05496	9.4
81.07056	30.5
83.05016	2.5
83.08610	6.0
85.06532	1.7
91.05482	10.6
93.07037	27.7
93.78471	1.3
95.08609	59.3
97.10160	6.5
98.67571	1.5
102.63912	1.5
105.07025	32.9
107.08595	56.6
109.10162	30.7
111.11707	1.9
113.09626	2.0
113.47758	1.5
117.07058	2.8
119.08586	36.2
121.10147	37.8
123.11712	12.3
125.09608	2.2
131.08592	11.1
133.10123	23.7
135.08072	3.9
135.11699	21.7
137.13289	6.3
139.11160	9.6
143.08537	4.4
145.10117	18.3
147.11681	20.7
149.09613	2.2
149.13237	17.1
153.12762	8.8
157.10136	8.3
159.11684	17.2
161.13252	16.0
163.11218	2.3
163.14825	31.8
169.10161	1.8
171.11667	3.7
173.04086	1.9
173.13274	11.8
175.14839	22.3
177.16382	20.0
179.14322	6.9
181.15887	4.1
183.11717	2.6
185.13298	5.0
187.14812	20.2
189.16393	25.6
191.14278	11.0
191.17966	43.5
197.13319	2.0
199.14819	5.9
201.16394	18.5
203.17987	27.2
205.15892	20.5
205.19577	2.0
207.17514	1.4
213.16399	6.2
215.17946	10.0
217.16051	2.1
217.19537	19.1
219.17435	38.9
219.20801	2.0
225.16441	1.9
227.17995	5.5
229.19568	9.6
231.21136	3.1
233.19002	4.8
241.19543	5.1
243.20982	2.3
245.19046	4.1
247.20601	4.0
253.19437	3.9
255.21111	7.4
257.22665	5.6
259.20639	1.6
267.21149	3.9
269.22812	3.1
271.24268	3.3
281.22592	2.6
283.24274	3.9
295.24127	2.4
299.23798	2.6
321.25632	2.2
391.33560	28.0
409.34683	100.0
410.34821	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47856	1.0
53.65137	0.8
54.78730	1.0
55.05515	4.9
57.07056	1.2
67.05505	10.9
69.07068	8.2
69.62623	4.4
71.42644	1.0
75.61012	0.9
79.05492	8.4
81.06586	1.4
81.07056	23.7
83.08607	4.0
91.05492	9.1
93.07049	17.7
95.04974	0.8
95.08612	32.3
97.10171	2.2
105.07036	31.2
107.08601	31.9
109.06526	3.8
109.09466	1.3
109.10169	16.8
117.06992	3.0
119.07706	1.0
119.08580	28.8
121.10143	37.1
123.08049	1.2
123.11723	4.9
129.07022	1.4
131.08595	5.3
133.06494	1.1
133.09117	1.3
133.10139	20.6
135.08084	2.8
135.11710	9.1
137.13234	3.0
137.17728	1.0
143.08568	4.0
145.10133	11.2
147.08052	1.3
147.11696	13.6
149.09633	1.2
149.13258	11.9
154.29031	1.0
157.10118	2.6
159.11674	6.8
161.09628	2.2
161.13239	9.0
163.11099	1.3
163.14793	7.8
169.10092	1.1
171.11676	1.2
173.13263	4.9
175.11209	1.7
175.14815	17.4
177.16391	10.4
185.13263	6.2
187.14868	9.2
189.16388	9.6
191.17906	5.3
195.11511	0.9
197.13313	1.2
199.14841	1.6
201.16386	3.9
203.14323	50.7
203.17902	7.3
205.15881	27.4
207.17586	1.0
213.16402	3.2
215.17999	4.7
217.19537	1.9
219.17442	2.6
227.17949	1.8
229.19521	3.1
231.17462	2.7
241.19571	2.7
243.21043	1.5
253.19559	1.4
255.21144	2.1
267.21085	1.2
269.22635	1.4
285.25882	0.9
295.24213	1.7
313.25287	3.3
339.26920	1.3
391.33539	7.6
409.34677	100.0
410.34818	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.2
57.07071	2.2
67.05507	10.5
69.07070	10.3
71.57803	1.5
79.05491	5.9
81.07065	26.6
83.08611	5.0
91.05499	7.6
93.07058	19.7
95.04977	2.5
95.08618	34.2
95.62671	1.5
105.07043	19.4
107.08602	28.8
109.06516	2.3
109.10168	14.8
117.07014	3.7
119.08594	21.0
121.10156	21.8
123.08060	2.2
123.11695	7.9
131.08574	7.1
133.10146	14.8
135.11736	11.6
137.13274	4.2
143.08548	5.0
145.10146	11.7
147.11685	15.5
149.13254	21.2
157.10133	7.6
159.11725	11.4
161.13251	9.0
163.14836	26.1
171.11703	6.6
173.13321	8.5
175.14867	9.0
177.16460	11.7
183.11746	2.8
185.13322	4.9
187.14830	10.3
189.16438	12.4
191.17966	3.9
199.14893	3.0
201.16425	6.4
203.17940	11.9
205.15910	5.0
213.16393	6.9
215.18018	8.4
217.19493	2.3
225.16403	1.8
227.17947	4.2
229.19551	5.5
241.19591	6.2
243.21100	3.9
253.19554	2.3
255.21106	15.0
257.22672	5.4
259.20569	2.4
267.21210	1.7
269.22739	9.8
285.22202	8.6
290.76816	1.7
295.24283	2.6
321.25903	2.0
371.10123	1.6
391.33572	13.4
396.37744	1.5
409.34647	100.0
410.35028	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53393	3.4
55.05521	16.6
56.71626	3.3
57.07076	8.2
65.03912	3.4
67.05505	23.3
69.07072	18.2
69.52559	20.4
72.04491	7.8
73.78842	3.2
79.05489	16.9
81.07063	47.4
83.08627	10.0
89.06035	10.9
91.05483	14.0
93.07047	37.8
95.08612	76.3
97.10151	5.3
98.21567	5.3
105.07023	31.9
107.08599	56.9
109.10155	48.1
117.07008	5.3
117.58498	3.1
119.08584	41.3
121.10148	38.0
123.11682	15.2
131.08572	28.3
133.08585	4.6
133.10141	32.3
135.11674	24.1
137.13239	10.7
141.41441	2.9
143.08551	9.4
145.10138	27.4
147.11732	15.2
149.13252	24.7
151.14873	3.8
157.10138	15.4
159.11699	31.5
160.75465	3.3
161.13257	16.3
162.13469	3.0
163.14827	39.7
166.69652	3.0
171.11691	14.3
173.13283	20.9
175.14824	13.7
177.16440	14.0
183.11684	4.4
185.13260	12.4
186.76251	2.9
187.14815	39.9
189.16397	13.2
191.17981	12.1
195.12218	12.2
196.12723	5.8
197.75581	3.2
199.14871	9.5
201.16412	23.7
203.17961	12.6
213.16373	9.3
215.17929	12.5
225.16249	3.3
227.17987	3.9
229.19577	20.5
231.21056	8.9
241.19609	10.4
243.21146	14.5
253.19514	6.0
255.21097	31.6
257.22699	3.5
267.21069	5.2
269.22641	16.3
285.22064	5.1
391.33514	34.7
409.34604	100.0
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
53.03938	1.8
55.05512	15.9
57.07064	3.7
62.58025	1.3
67.05505	22.3
69.07071	22.2
69.28837	10.8
69.29242	3.4
79.05494	16.0
81.06586	2.6
81.07058	50.1
83.08620	36.1
84.96556	1.4
91.05492	16.8
93.07041	34.7
95.04938	1.4
95.08611	70.3
97.10165	5.3
98.21584	2.2
105.06312	1.6
105.07034	37.2
107.07862	3.3
107.08598	62.4
109.10150	42.5
111.08070	3.7
117.07018	5.4
117.26730	1.6
119.08585	60.8
121.10144	47.3
123.08161	1.6
123.11697	23.2
129.07001	3.1
131.08572	20.4
133.10136	33.9
135.11682	28.2
135.21809	1.5
137.13237	6.7
143.08556	12.4
145.09053	2.3
145.10127	37.6
147.11688	24.9
149.13269	26.7
151.14825	1.6
153.09166	2.2
155.08591	2.2
156.09366	2.7
157.10135	17.8
158.10782	1.7
159.11700	28.1
159.12956	1.2
161.13287	16.0
163.07550	1.8
163.11151	2.1
163.14825	23.9
165.16487	3.0
167.08708	1.7
168.84889	1.7
169.10114	4.7
170.10910	3.0
171.11693	13.7
172.12419	2.0
173.13263	20.6
175.14841	30.1
177.12785	1.8
177.16389	30.3
179.18037	2.3
183.11688	4.8
185.13289	14.4
187.14836	34.4
189.16400	21.3
191.14308	2.2
191.17958	7.8
195.11774	2.1
197.13217	6.5
199.14836	12.5
201.16409	20.8
203.14268	2.4
203.18004	20.7
205.15881	7.0
207.17371	2.1
209.13129	1.8
211.14807	4.5
213.16409	27.6
215.17999	11.0
217.15936	2.5
217.19431	3.2
219.13913	1.6
219.17430	4.8
223.14734	2.0
224.15634	2.0
224.36707	1.5
225.16383	4.5
226.74121	1.8
227.17981	9.4
229.19473	8.6
231.17458	6.6
231.21101	6.6
233.15392	2.1
239.17947	3.8
241.19479	8.9
242.89618	1.5
243.21091	5.7
245.19052	2.7
247.16849	2.4
253.19533	5.3
255.20990	11.3
257.22678	4.5
259.20456	1.8
267.21072	4.2
269.22629	5.9
273.18658	1.7
281.22537	2.0
295.24188	6.4
299.20032	1.6
306.06201	1.7
307.24130	3.1
313.25192	6.0
321.25720	4.2
327.23199	2.0
339.26703	2.0
349.28940	1.8
363.30460	4.0
391.28806	3.3
391.33600	45.5
400.13037	1.5
409.35010	100.0
410.34958	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
54.36447	0.9
55.05511	5.6
57.07047	1.6
58.38522	0.9
67.05225	1.0
67.05515	11.4
69.07076	8.3
69.89814	2.8
69.90233	2.7
79.05487	8.1
80.23179	1.1
81.07063	24.7
83.04944	1.0
83.08626	5.2
91.05496	9.5
93.07046	20.6
95.08612	40.5
97.10162	1.9
98.04840	0.9
98.20802	1.0
103.05494	1.0
105.07040	28.4
107.08603	34.6
109.06539	4.0
109.10156	15.8
111.08102	1.3
117.07000	2.1
119.08588	31.4
121.06509	1.4
121.10150	36.9
123.08073	1.4
123.11747	5.9
123.35280	1.0
131.08578	6.2
133.06453	1.0
133.10132	22.2
133.11089	1.7
135.08070	3.6
135.11688	9.9
136.29044	1.0
137.09547	1.1
137.13252	3.1
143.08575	3.6
145.10133	12.9
147.08076	1.1
147.11690	13.8
149.09615	1.6
149.13280	12.6
155.08496	1.2
157.10129	3.9
159.11674	8.6
161.09677	1.8
161.13258	10.7
163.11209	2.2
163.14786	8.7
169.10199	1.3
171.11703	3.0
173.13255	5.9
175.11229	1.3
175.14832	14.9
177.12904	1.0
177.16399	14.3
185.13283	6.4
187.14842	10.2
189.16397	15.0
191.17967	7.0
193.15768	1.1
199.14790	2.6
201.16411	5.6
203.14317	39.7
203.17966	8.9
205.15880	25.3
205.17801	1.5
207.17389	1.3
213.16399	2.9
215.17958	5.4
217.19508	2.3
219.17447	2.5
219.94702	0.9
227.17845	1.9
229.19522	2.9
231.17455	1.7
233.19200	1.1
239.17912	1.3
241.19516	2.4
243.21057	1.9
245.18973	1.1
253.19542	0.9
255.21034	3.6
257.22736	1.3
257.30600	0.9
261.86249	0.9
269.22614	1.4
271.20746	1.0
285.25714	1.2
295.24252	3.0
309.25854	1.1
313.25287	6.2
339.26950	1.6
369.90002	0.9
391.33728	9.7
409.34671	100.0
410.34662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.05511	13.8
57.07072	5.6
66.59104	2.2
67.05502	24.1
67.55157	2.0
69.03428	3.0
69.07071	24.9
70.97350	5.6
71.01328	2.2
79.05483	28.2
81.03450	2.4
81.07057	68.7
83.08611	13.9
85.01015	2.2
85.02906	4.4
86.29236	2.2
87.00375	2.4
87.32920	2.5
91.05486	20.3
93.07050	46.5
95.04965	2.5
95.08608	100.0
97.02912	3.3
97.06544	3.5
97.10181	5.0
98.97588	4.8
101.06036	3.9
102.04169	2.6
103.05475	3.0
105.07034	50.0
107.08598	70.7
109.10159	51.5
111.08086	9.0
111.11723	3.7
117.07028	6.4
118.06560	7.1
119.08593	45.9
121.06530	9.3
121.10145	54.1
123.08066	3.2
123.11719	16.4
129.07027	4.8
131.08557	21.0
133.10130	32.6
135.08080	3.5
135.11691	30.2
137.05937	2.8
137.09663	2.6
137.13246	7.8
139.11194	8.4
143.08553	11.6
145.10136	34.4
146.05995	14.2
147.11697	34.7
149.13271	35.3
155.08574	3.1
157.10101	9.0
159.11676	27.0
161.13261	23.2
163.03946	3.1
163.11267	2.8
163.14853	22.9
171.11691	11.4
173.13257	19.5
175.14816	23.2
177.12711	2.8
177.16431	29.4
183.11726	5.9
185.13326	11.1
187.14824	37.4
188.07111	12.5
189.16417	23.1
191.14357	2.9
191.17970	10.4
195.17496	12.6
197.13338	3.0
199.14819	10.9
201.08968	3.0
201.16367	24.4
203.14409	4.8
203.17970	32.6
205.15883	15.5
205.19504	5.9
207.17561	3.4
211.14929	4.3
213.16347	14.1
215.17911	18.0
217.16011	3.2
217.19589	7.5
219.17537	7.8
222.46454	2.4
225.16441	3.4
227.17976	6.6
229.19513	5.3
231.17438	3.4
231.21126	4.6
237.16516	3.1
239.18056	2.8
241.19540	9.3
243.21149	5.0
253.19583	4.2
255.21194	7.3
257.22696	6.0
267.21100	5.0
269.22733	4.7
281.22720	3.0
285.22348	2.9
313.25381	4.9
339.27051	2.6
351.30560	7.8
391.33701	15.6
409.26770	4.1
409.34708	94.1
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
53.03955	1.2
55.05501	8.5
57.07055	2.5
57.82369	1.5
65.03933	1.3
67.05222	1.6
67.05511	16.5
69.03431	1.4
69.07076	17.7
69.81628	6.6
71.04999	1.1
72.93556	1.1
79.05502	11.4
81.07057	34.3
81.90739	1.4
83.04971	1.2
83.08632	6.5
91.05487	10.3
93.07046	31.5
95.08611	62.0
97.10164	3.5
98.20818	1.9
105.07030	30.3
105.24674	1.3
107.08597	55.3
109.06522	2.0
109.10155	29.8
111.08134	1.5
111.11735	1.9
117.07036	4.9
119.08582	39.6
121.10152	34.9
123.08064	1.8
123.11687	10.5
125.09624	1.6
131.08571	13.3
133.10139	30.3
135.11688	21.7
137.13258	3.7
137.32384	1.4
139.11176	1.5
143.08566	7.6
145.10127	23.0
147.11693	26.6
149.09592	1.4
149.13254	23.9
153.12781	1.5
156.09300	1.2
157.10150	8.8
159.11673	16.0
161.13263	18.0
163.11172	5.8
163.12575	1.2
163.14825	28.7
165.12717	1.7
168.09746	1.3
169.10191	1.7
171.11693	9.3
173.13287	12.4
175.14841	19.0
177.12857	2.2
177.16389	21.7
177.17822	1.9
179.14299	1.9
183.11696	2.8
185.13258	10.1
187.14839	27.3
189.16391	38.4
190.13608	1.5
191.14313	1.6
191.17953	9.9
191.86990	1.2
194.89178	1.4
197.13234	2.9
199.14833	7.4
201.16425	14.3
203.17967	41.3
205.15878	13.6
205.19659	2.1
207.17465	5.4
211.14803	2.1
212.15700	1.9
213.16371	10.0
215.17966	11.1
217.19551	4.2
219.17477	5.3
223.77005	1.2
225.16344	3.2
225.38974	1.7
227.17943	7.6
229.19624	9.0
231.17468	3.4
231.21082	3.1
233.19019	3.7
239.17892	2.3
241.19502	44.9
243.21152	5.7
245.19077	2.8
253.19521	3.1
255.21051	10.3
259.20630	2.2
267.21103	4.6
269.22675	4.4
279.21173	1.6
279.81604	1.5
280.52176	1.3
281.22601	2.5
283.24200	1.7
285.22159	3.9
295.24323	3.1
313.24988	2.0
349.28552	2.2
381.35184	3.0
391.33609	29.9
409.34671	100.0
410.35211	2.1
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
53.03934	1.2
55.05516	9.1
57.07057	2.1
67.05508	15.3
69.03426	0.8
69.06734	1.1
69.07069	18.0
69.51766	3.6
71.08616	0.7
71.91785	0.6
72.88877	0.7
77.03888	1.4
79.05494	13.9
81.07062	31.0
83.04961	1.8
83.08156	0.8
83.08621	9.8
85.06493	0.6
91.05482	15.3
91.21787	0.6
93.07050	34.1
95.04972	1.5
95.08611	66.7
97.06532	1.1
97.10181	3.9
105.07034	25.5
107.08598	63.6
109.06502	1.0
109.10158	30.8
111.08045	0.9
111.11702	1.0
117.07029	5.0
119.08583	28.3
121.06477	2.2
121.10148	48.4
123.11717	10.2
129.05440	0.6
129.06990	1.0
129.47533	0.6
131.08578	6.9
133.10139	28.2
135.08070	4.6
135.11700	17.9
137.09586	1.3
137.13248	2.9
143.08531	2.7
145.10129	15.4
147.11691	17.1
149.09602	1.7
149.13264	32.1
149.85989	0.8
151.14783	0.7
156.09329	0.8
157.10114	2.4
158.10904	1.4
159.11691	10.2
160.12440	0.9
161.09621	1.9
161.13274	14.4
163.11197	15.2
163.14832	21.8
165.16423	0.9
171.11662	2.6
172.12439	1.0
173.13257	4.4
175.11220	2.5
175.14828	23.3
177.12782	3.0
177.16393	38.9
178.38808	0.6
185.13245	1.9
187.14839	17.3
189.12706	1.4
189.16374	16.1
191.14299	1.3
191.16386	1.2
191.17972	11.6
193.15816	0.8
199.14777	1.1
201.16380	9.0
203.17963	100.0
204.18315	1.6
205.15886	63.8
205.19505	2.7
207.17435	1.3
211.14893	1.0
213.16364	3.2
215.17931	4.2
217.15939	1.5
217.19522	2.7
219.17419	6.6
227.17978	1.9
229.19524	2.7
231.17371	4.4
231.21054	2.0
233.18973	1.4
241.19525	2.4
242.89536	0.7
243.21027	2.1
245.19135	1.5
253.19611	1.6
255.21024	2.1
257.22495	0.8
259.20605	1.5
265.19370	0.7
267.21210	1.1
269.22473	0.9
271.20575	1.3
285.25778	2.0
295.24234	3.2
313.25198	2.7
339.26877	1.3
367.30179	1.1
381.35254	2.8
391.33560	8.6
409.34680	86.2
410.35016	2.1
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
53.03947	1.7
55.05309	0.7
55.05515	8.9
56.88410	0.7
57.07071	2.0
65.03931	1.5
67.05508	22.1
69.06724	1.1
69.07071	14.9
69.86501	3.0
79.05497	26.5
81.07064	26.9
83.04970	2.1
83.08620	8.0
85.06577	1.0
91.05482	13.5
92.78371	0.9
93.07047	28.9
95.08612	78.4
96.08949	1.2
97.10164	2.5
98.20841	1.0
105.07037	23.7
107.04952	1.1
107.08600	100.0
109.06551	1.6
109.10162	39.5
111.08077	1.6
111.11701	1.2
117.07035	4.2
119.06054	0.9
119.08589	28.0
121.06501	2.2
121.10152	47.6
123.08024	1.1
123.11716	7.9
126.61106	0.8
131.08594	6.8
133.10143	28.0
135.08092	3.9
135.11700	20.7
137.09563	1.4
137.13245	3.0
143.08566	2.7
145.10126	17.2
147.11690	15.9
149.09633	2.4
149.13264	20.5
150.54037	0.7
151.11209	1.2
157.10143	3.4
158.10945	1.0
159.11703	13.5
161.09575	1.7
161.13264	12.1
163.11183	15.0
163.14819	14.4
165.12701	0.9
169.10155	1.6
171.11678	3.2
172.12469	1.1
173.13252	8.7
174.14049	0.8
175.11273	2.0
175.13300	1.1
175.14839	28.2
177.12755	2.9
177.16400	43.9
183.11742	1.6
185.13200	4.5
187.11230	1.0
187.14830	17.5
189.12715	1.6
189.16386	14.4
191.14308	1.1
191.17967	8.4
197.13278	1.6
199.14854	2.9
201.16386	8.2
203.14323	2.6
203.16002	1.3
203.17960	35.7
205.15891	81.9
205.19684	2.2
207.17462	1.8
211.14795	1.7
213.16397	4.5
215.17950	7.2
217.15892	2.1
217.19557	2.7
219.17509	4.5
225.16478	1.4
227.17981	2.9
229.19560	4.3
231.17476	2.6
231.21053	1.9
233.19084	1.4
239.17972	2.6
241.19577	3.6
243.21123	2.2
245.19052	2.2
245.22772	0.8
253.19598	1.7
255.21132	3.8
257.19153	0.8
257.22626	1.1
259.20856	0.9
267.21121	1.3
269.22623	1.6
271.20554	1.7
283.24164	1.0
285.25766	10.5
295.24194	16.9
313.25256	22.7
321.26028	1.0
339.26910	5.4
381.35138	2.7
391.33533	7.3
409.34677	54.0
410.34998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.05510	7.2
57.07061	3.2
67.05508	9.1
69.07064	9.6
69.42938	1.1
70.63386	4.0
79.05482	7.8
81.06644	1.7
81.07062	20.7
82.29821	1.2
83.08606	5.4
86.67159	1.5
91.05478	8.6
93.07050	21.1
95.08607	32.2
97.06517	1.8
97.10155	3.6
98.40730	1.2
105.07025	19.1
107.08592	30.5
109.10159	20.0
111.08064	3.6
111.11723	1.2
117.07027	3.3
119.08586	24.4
121.10142	24.1
123.08073	1.5
123.11738	11.0
129.07013	1.8
131.08556	15.4
133.10121	19.5
135.11690	22.8
137.13223	3.7
143.08545	6.3
144.09319	2.0
145.10132	29.4
147.11638	12.6
149.13232	9.3
151.07687	1.3
151.11203	1.9
157.10159	7.1
159.11673	15.1
161.13271	10.9
163.14839	12.1
171.11708	5.5
173.13243	10.5
175.14853	7.9
177.16495	7.9
177.17784	1.6
185.13235	6.6
187.14816	30.2
189.16389	19.0
191.17853	5.0
197.13185	2.8
199.14809	6.8
201.16385	42.5
203.17940	10.4
205.15912	1.5
207.17444	2.2
213.16383	5.0
215.17935	6.5
217.19460	1.8
221.18896	2.9
227.17914	4.0
229.19572	7.0
239.17921	2.6
241.19456	4.2
243.21193	3.1
253.19490	2.7
255.21152	7.3
257.22626	5.8
267.21072	1.9
269.22644	4.4
285.22073	1.4
391.33597	10.6
409.34616	100.0
410.34863	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63762	5.1
55.05510	23.4
56.96571	13.2
57.07055	5.6
63.16164	5.2
67.05502	39.7
67.81325	7.4
69.07079	32.9
71.32318	5.2
75.30917	4.8
79.05504	20.0
81.07059	67.0
83.08630	25.4
85.02884	6.4
85.06527	7.5
91.05474	24.3
93.07048	55.6
95.08621	100.0
97.10164	8.1
98.97592	5.8
102.51921	4.8
105.07062	46.8
107.08586	76.8
109.10178	49.6
111.08096	9.3
117.06973	7.7
119.08592	67.1
121.10143	69.4
123.11713	23.5
131.08543	26.3
133.10149	43.1
135.08072	10.8
135.11690	43.3
143.08531	17.0
145.10133	47.3
147.11714	35.3
147.58084	6.5
149.13234	28.0
157.10153	15.6
159.11768	33.0
161.13297	38.3
161.69519	5.5
163.03917	20.5
163.14838	31.5
164.74031	5.1
169.10223	8.6
170.72316	5.1
171.11685	14.2
173.13268	27.0
175.14883	29.9
177.12718	5.4
177.16418	34.7
184.04326	4.8
185.13219	9.7
187.14821	37.6
189.16415	32.6
191.14323	12.1
191.17979	48.3
199.14830	10.4
201.16428	32.7
203.17996	28.6
205.15855	16.8
211.14763	6.0
213.08034	10.5
213.16341	17.4
215.17902	15.9
217.19482	10.9
219.01733	6.3
219.17410	24.0
223.33424	6.2
227.17950	7.5
229.07512	16.5
231.17352	7.9
241.19455	8.5
243.21094	7.2
253.19484	11.1
255.21072	11.1
267.21201	6.8
280.09006	6.3
349.16882	24.3
367.18027	7.5
391.33548	19.7
409.25650	30.3
409.30206	13.6
409.35071	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	409.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
57.07087	3.7
67.05499	2.9
69.07079	7.1
69.53155	3.6
71.08636	1.9
79.05483	2.3
81.07072	6.4
81.60316	0.7
83.04974	1.7
83.08612	2.9
85.10167	1.2
89.06010	0.9
91.05473	1.8
93.07048	4.0
95.08609	7.7
95.37302	0.8
97.06548	1.3
97.10182	1.8
99.04450	2.2
105.07034	3.9
107.04967	2.7
107.08595	5.5
109.06544	1.1
109.10171	4.5
111.11701	1.0
119.08587	10.3
121.10131	4.4
123.11684	1.4
125.06000	100.0
130.38744	1.2
131.08545	2.2
133.10150	3.6
135.11697	3.2
137.13370	0.9
145.10103	3.7
147.11684	4.1
149.13231	2.7
157.10184	1.4
159.11713	3.3
161.13258	2.5
163.14810	1.3
171.11754	1.4
173.13300	1.7
175.14816	1.4
177.16409	1.4
187.14867	2.3
189.16391	2.0
191.17871	1.8
195.12317	1.4
196.12560	1.2
199.14839	1.3
201.16385	2.4
203.14325	0.8
203.18073	0.9
213.16229	1.0
215.17963	0.9
217.19414	1.2
229.19714	1.0
255.21062	1.6
323.27466	1.1
324.27939	0.9
391.35843	25.2
409.34637	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	409.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62687	5.8
53.46551	4.9
55.05507	17.6
57.07062	9.2
61.27800	5.3
67.05515	28.1
69.07072	52.7
71.57614	7.7
79.05477	19.6
81.07057	52.0
83.08614	17.0
91.05468	13.6
93.07037	24.8
95.08608	63.8
97.10146	11.5
105.07070	27.7
107.08607	36.6
109.10155	55.0
111.11719	7.2
119.08562	31.4
121.10151	39.1
123.11698	29.5
131.08543	5.5
133.10136	22.6
135.11688	22.3
137.13284	18.4
145.10120	13.4
147.11653	19.9
149.13269	25.1
159.11707	15.5
161.13260	14.9
163.14825	14.3
171.11636	5.8
173.13290	6.6
175.14902	9.2
177.16454	8.0
187.14879	10.2
189.16406	10.5
191.17989	7.8
201.16473	9.4
203.17970	13.2
204.36218	5.7
205.19688	6.3
217.19455	11.0
229.19496	7.0
231.21098	6.8
242.51654	5.2
245.22566	7.1
257.22836	5.6
271.24185	5.9
285.25803	7.3
396.58783	5.6
409.38434	100.0
414.11148	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05502	13.5
57.07071	10.0
58.14076	2.9
58.75034	3.1
58.88745	3.9
67.05499	27.3
69.07073	44.5
69.59824	3.5
70.96345	10.4
71.08630	4.5
79.05495	12.4
81.07058	82.8
83.08616	16.3
91.05505	7.9
91.51279	3.7
93.07055	26.3
95.08607	92.5
97.10194	7.2
105.07027	22.3
107.08591	31.0
109.10163	50.4
111.11716	6.0
119.08598	22.4
121.10155	31.8
123.11702	26.8
131.08586	7.4
133.10175	19.5
135.11690	24.3
137.13280	32.6
145.10100	11.8
147.11700	15.4
149.13274	20.2
159.11696	11.0
161.13297	13.9
163.14868	16.2
173.13271	11.2
175.14841	14.5
177.16449	12.8
185.13170	4.2
187.14856	10.8
189.16464	9.0
191.17957	8.2
201.16414	8.0
203.18005	8.3
205.19594	4.1
215.18025	7.7
217.19533	7.7
229.19479	10.2
231.21092	11.1
257.22528	5.4
259.24182	6.1
271.24170	4.8
285.25735	5.2
299.27573	4.4
325.29016	5.6
327.30255	4.5
409.38382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05386	1.3
53.03942	4.2
65.03931	1.5
65.87566	2.0
69.03423	5.3
69.07021	1.4
70.06616	1.9
70.07890	6.1
77.12315	1.5
79.05487	10.5
81.07075	2.4
84.08150	1.6
85.02909	1.5
91.05465	9.7
93.03401	4.5
93.18798	1.4
95.04948	3.8
95.08615	2.2
97.02899	34.3
98.21399	1.9
98.97551	1.4
103.03915	1.9
105.07022	2.2
107.04964	34.7
107.08604	1.6
109.10056	1.7
111.04438	8.4
111.14692	1.4
111.88799	1.4
112.37045	1.4
119.04971	3.3
121.02872	24.0
121.06493	5.1
122.83244	1.2
123.00794	3.0
123.04413	3.1
135.04433	100.0
137.05992	13.7
138.06277	2.3
139.03893	16.9
145.02834	2.5
147.04425	1.6
149.02359	70.9
149.05922	3.7
151.03882	1.4
153.05489	4.5
155.03316	1.5
163.03902	13.4
164.07106	1.6
167.03438	18.5
173.02319	2.2
175.07487	2.2
177.05429	9.2
179.03404	1.3
181.05014	11.9
191.03413	70.3
203.07059	5.6
205.04977	14.8
209.04469	43.9
213.05513	1.5
223.06036	20.8
224.65121	1.4
227.05470	6.8
241.07097	40.3
273.07352	3.3
273.09991	1.8
283.06082	1.5
317.11740	1.4
325.07123	1.5
343.08084	4.5
411.15411	3.0
433.83960	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.0
57.03418	5.8
58.35548	3.6
67.05505	11.1
69.03430	6.1
69.07069	16.4
71.04994	23.3
71.43127	3.8
71.56360	4.8
77.42377	3.5
79.05503	17.1
81.07092	16.6
83.04996	5.8
91.05526	3.5
92.05812	3.4
93.07051	26.5
95.08625	14.4
97.06500	6.7
107.08607	14.1
109.06599	3.8
109.10163	14.9
109.22504	3.5
111.04446	21.1
118.50152	3.7
121.06507	9.8
129.05493	32.3
133.10089	4.3
135.11708	85.5
149.13292	9.6
153.11531	5.7
153.12764	90.6
163.03911	9.7
177.12791	10.0
195.13834	21.4
213.14883	100.0
231.15950	72.3
260.19946	3.4
290.10263	7.5
410.16199	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	410.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96445	1.5
55.01864	2.3
55.05518	4.7
57.03434	2.5
57.56611	1.7
60.41848	1.7
62.06084	2.5
67.05503	15.9
69.03436	5.7
69.07074	4.4
70.06587	1.9
70.80648	3.8
70.80985	3.6
71.05000	17.6
79.05489	7.5
81.03423	7.7
81.07065	23.8
83.04967	3.3
83.08611	2.3
84.08134	3.1
85.02911	15.4
85.06554	7.9
91.05487	10.9
93.07042	26.4
95.08611	41.4
96.71806	1.6
97.02901	55.4
97.06532	6.6
98.21534	2.4
99.04448	3.3
99.08098	2.9
105.07023	3.4
107.08604	9.4
109.02838	2.9
109.10162	5.9
111.04473	3.4
111.08105	3.9
111.86686	1.6
113.09660	10.3
117.07031	6.2
119.08574	19.2
121.06494	7.8
121.10141	4.8
121.87476	1.8
123.11799	1.9
123.92182	1.8
127.03896	8.4
127.79723	2.1
131.08569	9.6
131.10704	3.8
133.10130	10.4
135.08075	4.3
135.11708	26.3
136.07674	1.8
137.09650	16.3
137.90735	1.8
139.03928	6.1
147.11664	1.7
149.13243	6.7
153.09129	1.7
159.11707	21.3
165.16751	1.7
167.67021	2.2
177.12773	31.0
188.08324	1.7
195.13849	23.8
201.11244	38.1
213.14874	28.6
231.15930	100.0
244.12840	1.9
248.12845	12.3
357.15582	7.1
375.16760	2.4
410.18738	12.3
411.16037	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	410.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
54.60949	1.2
55.05517	2.8
57.07072	1.2
64.25018	1.1
67.05512	11.3
67.90939	1.1
68.17059	1.3
69.03426	5.2
69.07077	6.4
70.04236	1.0
71.04999	11.6
71.57401	1.7
78.81250	1.2
79.05489	8.4
81.07063	11.6
83.04996	2.8
83.08638	1.5
85.02914	7.0
91.05483	1.6
93.07063	17.6
95.08611	17.3
97.02888	3.2
97.06544	4.3
105.07047	1.5
107.08598	10.7
109.02901	1.5
109.06483	1.2
109.10157	18.5
111.04427	6.6
111.05125	1.2
113.06020	1.4
113.09642	1.6
117.07066	1.2
121.06527	3.1
121.10147	1.7
125.06025	1.4
129.05476	12.3
131.08607	1.2
133.10150	4.8
135.11699	94.9
135.43484	1.0
137.09679	1.6
139.03894	2.3
139.07605	1.8
139.11151	1.4
145.04990	1.3
149.13268	6.2
153.12759	73.5
159.11710	3.9
163.03976	2.3
165.09102	2.4
177.12775	9.0
195.13806	17.4
195.36493	1.2
211.27075	1.2
213.14871	100.0
214.15196	1.2
231.15938	47.2
319.64389	1.3
410.18289	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	411.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76522	0.8
56.96571	12.4
69.07083	1.0
69.52142	7.0
76.43343	0.9
79.05462	1.0
81.07075	1.5
84.96034	4.7
91.05511	1.6
93.07045	2.8
95.08605	1.6
98.21375	3.2
98.97590	60.4
105.07050	1.6
105.83578	0.9
110.96824	2.2
110.97581	38.8
112.99142	14.8
116.98627	15.8
118.06551	1.2
121.06515	15.3
122.06833	6.8
126.97070	1.7
128.98624	24.4
131.00200	10.6
133.10175	1.5
134.99660	3.7
140.00197	2.6
140.98604	1.1
143.00215	1.1
144.08087	1.5
144.98090	2.9
146.06004	3.7
146.99641	7.6
149.01300	2.4
152.00250	2.5
152.98631	1.4
155.00197	3.3
157.10201	1.2
158.99681	9.1
161.01244	1.3
164.07074	1.9
169.07648	1.0
170.99663	48.6
173.01250	7.5
177.00783	5.5
177.12961	1.2
186.99126	1.6
188.07066	5.1
189.00728	69.2
191.02290	1.4
200.41437	0.9
201.00824	1.4
205.00436	1.0
207.01778	8.3
212.02315	5.6
213.00803	1.8
231.01784	20.4
231.03514	0.7
249.02826	18.8
267.03851	5.9
272.04471	3.0
291.03894	100.0
292.04416	1.1
309.04950	39.1
309.08521	2.0
332.06458	9.3
337.11960	1.9
351.05948	14.6
351.13345	1.7
352.86810	1.0
411.07864	1.2
411.24133	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68712	1.0
53.00661	1.1
55.03982	1.0
69.20066	5.4
69.20499	5.3
80.61024	1.1
98.20772	2.4
98.97644	1.3
100.05146	1.1
113.92589	1.0
119.01924	1.8
124.70883	1.2
133.03532	1.7
143.01994	1.5
157.03491	2.2
171.04982	1.3
197.95442	1.2
223.06688	4.2
292.84045	1.2
297.09900	1.3
298.37299	1.3
351.11490	2.1
411.09088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
57.03419	0.1
61.02910	0.2
63.02377	0.5
67.01868	1.3
68.99787	0.5
69.03434	3.1
69.66029	0.7
71.04989	1.0
79.05495	1.0
81.03421	5.1
85.02911	2.3
87.00830	0.7
89.03918	7.2
90.04238	0.2
91.05453	0.2
95.04958	0.3
97.02891	2.5
99.04449	1.3
104.73982	0.2
107.04967	1.9
109.02885	7.6
111.61504	0.1
117.03386	9.8
121.06524	0.2
127.03923	4.9
129.01849	0.5
135.04425	17.7
145.02856	12.7
145.03816	0.3
147.02861	0.3
163.03911	100.0
164.04271	0.5
181.04977	2.0
186.05464	0.2
193.41226	0.2
213.03992	0.2
213.09103	0.3
247.06071	0.3
307.08105	2.4
325.09225	0.3
351.07364	0.3
393.08258	1.0
411.09225	4.7
411.16470	1.8
434.27768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	8.1
58.30697	4.5
69.03429	8.0
70.96213	14.6
72.09359	4.4
76.28787	5.8
77.12965	5.0
84.08129	10.3
85.02885	8.7
93.94755	6.0
98.97585	28.9
110.97556	20.0
116.98598	6.4
126.33978	4.7
128.22592	5.5
128.98610	14.5
161.05948	13.5
170.99655	6.7
193.08517	6.6
219.01776	34.6
237.02859	42.9
241.03964	6.1
284.18491	6.0
328.67566	5.1
411.10306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1556
Annotation	Tenuisine C
Peak:m/z	Relative Intensity
56.96556	1.1
59.78978	1.0
67.05484	1.7
70.72962	1.9
74.47342	1.0
79.05497	1.2
81.07068	1.1
91.05492	2.6
91.40160	0.9
93.07071	1.2
98.46482	0.9
103.05488	1.2
115.05435	1.4
117.07016	2.5
118.06554	28.7
119.08604	1.3
121.06511	11.4
122.06055	1.1
122.06852	3.2
130.06538	15.7
142.06511	3.2
143.07310	4.6
144.08092	19.7
146.06024	74.7
150.05522	6.4
158.06012	4.8
160.07726	1.0
164.07083	45.0
165.07864	1.4
169.05287	1.4
169.07642	4.4
170.06006	6.8
180.08122	1.0
182.08168	4.3
182.09660	1.2
188.07088	83.5
204.08171	1.7
217.08838	2.5
218.09744	5.2
221.10765	1.1
222.07634	4.5
224.09123	6.3
230.09608	1.1
232.07616	1.1
232.09915	2.1
233.10786	1.6
234.09306	1.6
234.11525	1.2
236.09329	1.0
245.10855	3.1
246.09201	3.0
247.12329	4.3
263.08191	1.7
265.09796	2.8
273.10355	1.4
275.11908	2.5
277.09653	3.3
279.11398	1.8
282.09845	1.6
291.11343	12.4
293.12918	2.7
305.12848	10.6
307.14465	1.4
319.10956	1.3
337.11856	100.0
338.12161	1.3
351.13425	76.2
352.13879	2.4
369.14365	2.7
379.12927	16.8
411.15515	20.7
411.20502	1.8
424.92920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96016	0.3
70.97131	0.7
91.05508	0.4
109.06509	0.3
123.93967	0.3
129.82703	0.3
135.11671	0.7
153.12762	0.9
168.96294	0.4
174.07611	0.3
185.92018	0.3
208.34216	0.3
213.14867	0.9
222.04358	0.3
249.11053	1.3
267.10773	1.5
411.16275	100.0
412.16586	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70784	0.6
71.57652	1.4
79.05456	1.1
81.03410	0.9
81.07034	1.1
85.02904	1.2
91.05491	0.9
93.07016	1.2
97.02908	1.2
107.05012	0.8
109.02888	0.8
110.70905	0.7
115.50368	0.8
117.03360	1.6
121.06535	1.6
127.03933	1.7
133.10123	1.5
135.04433	2.5
143.08652	1.1
144.08038	1.8
145.02846	2.4
145.10120	0.8
157.10123	1.2
163.03923	17.1
175.14838	0.8
185.04105	1.0
185.09720	1.4
203.05280	1.0
219.04727	2.5
249.11000	100.0
250.11343	0.8
349.06784	0.8
358.35159	0.7
393.74551	0.8
411.16150	38.4
411.20023	32.1
412.20740	1.1
431.91495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70784	0.6
71.57652	1.4
79.05456	1.1
81.03410	0.9
81.07034	1.1
85.02904	1.2
91.05491	0.9
93.07016	1.2
97.02908	1.2
107.05012	0.8
109.02888	0.8
110.70905	0.7
115.50368	0.8
117.03360	1.6
121.06535	1.6
127.03933	1.7
133.10123	1.5
135.04433	2.5
143.08652	1.1
144.08038	1.8
145.02846	2.4
145.10120	0.8
157.10123	1.2
163.03923	17.1
175.14838	0.8
185.04105	1.0
185.09720	1.4
203.05280	1.0
219.04727	2.5
249.11000	100.0
250.11343	0.8
349.06784	0.8
358.35159	0.7
393.74551	0.8
411.16150	38.4
411.20023	32.1
412.20740	1.1
431.91495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1783
Annotation	paxanthonin
Peak:m/z	Relative Intensity
55.84330	1.2
56.76035	1.1
56.96552	2.8
71.57355	1.6
79.05452	2.0
85.02884	2.0
91.05460	2.6
93.07031	1.1
97.02875	1.5
97.49928	1.0
98.97593	12.7
105.07022	1.7
107.48788	1.3
116.98577	2.6
117.99135	1.1
119.08551	1.3
121.06535	3.0
131.08484	1.5
133.10149	9.3
135.11644	1.2
142.07735	1.5
143.08488	1.2
144.08121	1.5
154.64696	1.3
157.10126	2.6
158.99596	5.3
163.03831	3.1
164.90799	1.3
175.14835	2.1
177.00729	2.0
185.09540	1.9
204.73732	1.1
219.01685	3.3
243.06886	2.6
251.16339	1.2
309.13623	2.3
411.17639	100.0
412.17834	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	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
50.58668	0.4
55.05502	0.8
57.03437	0.5
67.05499	0.5
69.03407	0.5
69.07058	0.7
70.06599	0.6
70.95148	1.1
72.08141	0.5
79.05502	0.8
81.07046	1.4
83.04955	0.8
84.08129	1.4
85.02898	1.3
85.06530	0.7
91.05478	0.7
93.07021	0.7
95.08626	1.3
107.08603	1.1
111.37737	0.5
119.04875	0.5
121.06481	0.5
131.08522	0.6
135.08023	0.6
137.05949	1.1
138.23477	0.5
150.05316	0.4
165.05519	0.8
169.52318	0.5
177.05499	0.7
180.06522	0.7
196.09714	0.5
199.09636	0.6
203.05295	0.9
213.18452	0.8
231.13812	0.6
249.20619	0.6
347.13229	0.5
352.10281	0.6
356.81842	0.5
377.91147	0.6
411.19910	100.0
412.20166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2017
Annotation	Deoxypentalenylglucuron
Peak:m/z	Relative Intensity
55.05511	3.2
56.96561	1.8
67.05517	5.8
69.03431	1.6
69.07073	6.5
71.04984	1.7
71.56930	1.3
79.05504	3.4
81.07061	10.7
83.04958	2.2
83.08617	1.9
85.02914	2.3
85.06541	1.7
91.05497	5.6
93.07061	7.8
95.01326	2.7
95.04984	10.4
95.08620	8.0
97.06523	1.2
98.97611	1.7
105.07028	7.2
107.08572	8.0
109.06537	6.6
109.10159	3.7
117.07015	1.6
118.07731	1.1
119.08590	9.4
121.06519	12.0
121.10146	11.2
123.04436	1.4
123.08093	6.0
123.11708	2.1
129.06993	1.7
131.08548	3.1
133.10141	7.5
135.04454	1.8
135.08060	8.3
135.11702	1.4
137.09595	2.0
141.01871	1.6
141.07016	1.2
142.07874	1.8
143.08546	2.2
145.10158	2.8
147.08032	2.6
147.11716	2.3
148.08818	1.9
149.09648	3.7
149.13321	1.2
151.07582	3.4
154.07890	1.2
155.08675	1.2
157.10155	4.7
159.08102	1.8
159.11703	3.9
161.09648	3.5
163.03935	3.4
164.07202	1.2
165.07076	1.4
165.09126	2.7
165.12730	1.4
169.10214	1.8
172.10115	1.4
173.13235	2.8
175.07661	1.5
175.11272	1.3
175.14903	4.0
177.12767	6.5
182.93054	1.1
187.07533	1.5
187.14871	2.2
189.12799	1.7
191.14311	14.3
193.01091	1.3
199.14859	4.8
217.15970	4.9
218.16664	2.5
235.16960	6.5
265.11234	1.4
323.11304	2.8
353.15939	1.5
375.17996	4.4
393.19092	14.9
411.20206	100.0
411.26260	7.4
412.20453	1.8
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
53.03942	2.5
53.96152	1.7
54.51257	1.8
55.05515	28.6
56.96562	3.0
57.07080	3.4
59.08305	1.6
60.97701	1.6
67.05510	23.0
69.07071	34.8
69.85094	10.6
71.08629	2.9
79.05500	16.6
80.88166	1.7
81.07066	42.7
83.08626	80.0
85.06546	4.2
87.63680	2.2
90.74802	2.0
91.05488	22.2
93.07048	44.9
95.04980	2.2
95.08614	100.0
96.08948	2.2
97.06522	2.4
97.10167	7.1
98.21448	2.3
105.06393	2.5
105.07047	39.5
107.08606	90.8
109.10167	48.2
111.08075	4.5
111.11694	2.7
113.09665	3.3
117.07017	5.2
119.08591	96.4
121.10152	86.4
123.08099	2.4
123.11720	16.8
125.09626	3.4
131.08572	8.9
133.10135	61.9
135.08084	2.3
135.11703	40.4
137.13245	8.1
139.07518	2.7
143.08577	4.8
145.10132	14.9
147.04420	6.5
147.10632	3.4
147.11710	39.8
149.12170	2.5
149.13266	27.7
153.09103	7.2
157.10153	3.4
159.11684	13.5
160.12546	2.0
161.13287	20.9
163.14836	44.0
165.09100	2.9
171.11688	3.2
173.13281	13.3
175.14838	53.5
175.16273	3.8
177.16396	70.0
183.11618	1.8
185.13364	2.2
187.14810	8.4
189.16402	92.0
190.16681	3.1
191.17955	49.6
191.19585	3.4
199.14877	5.0
201.16389	11.2
203.17995	28.9
205.19611	3.9
207.17513	6.9
213.16420	14.6
215.14333	2.0
215.17963	6.5
217.19543	10.6
219.17442	3.3
221.19058	3.5
227.17834	3.0
229.19521	3.6
231.21010	1.9
235.16957	13.7
239.02379	4.8
239.17917	2.7
241.19508	5.0
243.21030	5.1
247.16998	7.7
249.18501	2.7
255.21152	2.5
257.03345	5.1
257.22711	2.8
269.22751	3.7
283.24121	3.2
287.20041	2.2
309.25671	3.0
323.27408	3.2
329.24689	3.5
355.26276	6.9
365.32202	12.0
393.35196	6.0
411.31979	35.0
411.36682	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33195	1.7
52.57121	1.6
53.03933	3.5
55.05266	2.1
55.05514	35.3
56.96558	5.3
57.07066	7.0
65.03929	2.3
67.05509	14.6
68.64764	1.6
69.06719	2.6
69.07070	33.1
70.97917	5.9
71.04999	2.0
79.05504	16.2
81.07063	31.6
83.08623	94.2
91.05488	18.4
93.07042	42.9
95.08611	70.5
95.09055	1.2
97.10137	3.0
99.06631	1.7
105.06381	3.4
105.07038	37.1
107.08604	80.4
109.06544	2.5
109.09451	3.2
109.10152	38.4
117.06996	4.2
119.08589	100.0
121.10152	93.1
123.11726	12.0
129.06950	1.8
131.08588	9.4
133.10136	63.4
135.08070	3.1
135.11702	37.1
137.13271	4.9
139.07567	2.4
143.08620	3.3
145.10133	14.3
147.04411	2.1
147.11688	34.4
149.13263	17.8
151.14908	3.5
153.09091	11.8
157.10068	4.1
159.11705	9.7
161.13258	15.4
163.14841	40.8
165.09094	3.4
167.10619	2.3
171.11716	4.3
173.13321	9.9
175.14836	67.1
177.09125	2.6
177.16402	81.1
185.13248	3.4
187.14810	8.3
189.16399	99.4
191.17970	33.7
199.14749	4.4
201.16393	13.8
203.17953	23.6
205.19617	4.0
207.13684	2.2
207.17459	7.2
213.16434	8.8
215.17999	8.1
217.15820	3.1
217.19542	7.4
221.15242	1.9
221.18764	2.3
225.16098	2.4
227.18115	2.2
229.19514	3.0
235.16902	19.9
239.02292	5.7
241.19513	5.1
243.21121	3.3
247.16989	10.4
249.18396	4.3
255.21109	4.1
257.22662	2.3
262.03900	2.2
269.22699	4.4
283.24203	4.1
287.20001	1.9
309.25961	3.8
327.23264	2.6
329.17731	3.0
329.24731	5.2
355.26312	9.8
359.02945	2.1
365.32022	17.4
393.35211	2.6
411.32288	35.7
412.33353	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.8
55.05512	29.2
56.96562	4.9
57.07070	4.9
62.68556	1.4
66.68458	1.5
67.05503	15.7
68.57542	1.3
69.06725	2.2
69.07069	33.5
71.08549	1.6
71.48669	3.1
77.03916	1.8
79.05486	15.7
81.07059	38.1
83.08622	86.7
84.08935	1.5
85.10201	1.8
86.06068	1.8
91.05479	22.0
93.06467	2.7
93.07045	35.8
95.04985	2.0
95.08611	79.4
96.08932	1.9
97.06513	1.8
97.10165	3.4
97.30074	1.4
105.07043	37.4
107.08598	72.3
109.06486	3.4
109.09463	2.3
109.10165	39.2
109.10914	2.2
110.10474	2.5
111.02087	1.4
111.08112	2.7
117.07083	2.8
119.04919	3.5
119.08586	100.0
121.06513	1.3
121.10142	91.6
123.08005	1.9
123.11731	11.0
125.05958	1.6
127.06088	1.4
131.08565	9.7
133.07591	1.7
133.09117	3.0
133.10135	59.7
134.10442	2.0
135.08049	1.8
135.11696	30.1
137.09550	1.4
137.13237	4.1
139.07503	2.7
143.08559	5.2
145.10150	12.9
146.10994	2.5
146.40959	1.5
146.57765	1.5
147.04391	10.3
147.11691	30.5
149.13268	18.9
151.07547	1.8
151.14862	2.4
153.09082	11.5
157.10143	3.4
159.11684	12.8
160.12459	2.9
161.13266	15.8
163.07478	1.6
163.14838	33.2
165.09099	3.4
167.10722	1.8
169.10144	2.4
171.11681	4.2
173.13292	8.6
173.14503	1.5
174.14088	1.4
175.14835	56.1
176.15057	1.5
177.09145	1.7
177.16391	71.7
184.09999	1.4
185.13261	3.1
187.14815	7.4
189.16388	91.4
191.17960	28.8
199.14745	3.2
201.16397	13.2
203.17995	20.9
205.19499	2.7
207.17445	5.7
213.16426	7.9
215.17911	5.7
217.15802	2.6
217.19524	5.0
221.15321	2.0
221.18979	1.7
227.18059	2.2
229.15875	2.1
229.19450	2.9
235.16936	16.4
239.02303	14.8
241.19539	5.0
243.21100	2.9
247.17039	10.5
257.03336	7.8
257.22534	2.1
262.03860	6.5
269.22528	3.3
283.24170	4.4
285.05377	1.9
287.20029	1.6
295.24170	2.1
309.25763	2.7
315.23145	1.7
329.17728	4.4
329.24774	4.3
340.68445	2.6
349.69061	2.0
355.26273	6.8
365.32028	16.4
367.74210	1.7
393.35028	2.4
411.28308	15.1
411.32632	35.4
437.34116	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49273	1.1
55.05268	1.8
55.05513	24.5
56.92832	1.1
56.96575	8.2
57.07056	4.9
57.13653	1.0
67.05504	11.5
69.06721	1.7
69.07069	23.8
70.85448	1.4
70.85780	2.2
79.05494	11.5
81.07057	29.8
83.08621	73.6
84.96030	1.1
91.05469	13.5
93.07048	27.6
95.08609	62.5
96.08916	2.1
97.10139	3.1
105.07034	31.1
107.08594	56.6
108.08891	2.1
109.10156	29.5
117.07006	2.6
119.08582	65.9
121.10146	62.1
121.18412	1.1
122.03633	1.6
123.08102	1.1
123.11716	10.7
129.07030	1.7
131.08565	5.3
133.10132	41.5
134.10457	1.4
135.10696	1.8
135.11694	27.2
135.12706	1.9
137.06001	7.6
137.13258	3.6
139.07552	1.1
143.08545	3.0
145.10150	9.7
147.11703	31.0
149.09525	1.5
149.13264	12.9
151.14790	2.2
153.09119	6.5
157.10117	3.5
159.11708	8.0
161.13252	17.6
163.14827	30.8
165.16377	1.8
167.10585	2.0
171.11635	3.8
173.13278	8.1
175.11263	1.5
175.14824	47.5
177.16393	49.7
178.16675	2.0
179.14305	1.2
185.13287	1.5
187.14862	8.0
189.16383	100.0
190.16696	2.3
191.00116	1.4
191.17984	12.0
193.15907	1.7
199.14757	3.0
201.16379	15.7
203.17952	20.6
207.17424	4.9
213.16345	4.5
215.17871	5.5
217.15776	2.6
217.19524	4.8
221.01268	2.6
221.15349	2.5
223.16904	1.4
227.17923	1.8
229.19460	4.4
233.15402	1.9
235.16940	11.6
239.02324	8.0
241.19547	3.9
243.21085	2.4
247.16888	5.0
249.18486	2.4
253.19243	1.1
255.20926	1.7
257.03268	2.9
257.22501	1.8
262.03766	2.6
269.22595	1.7
281.22485	1.6
283.24173	4.9
287.20160	1.3
295.24219	1.5
309.25586	2.3
315.23285	2.1
329.24765	3.8
341.24670	1.3
355.26157	4.8
365.32193	10.1
393.34811	3.8
411.31931	34.8
411.36581	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	411.3258
Annotation	6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol
Peak:m/z	Relative Intensity
53.03931	3.4
55.05508	17.9
57.07065	5.6
65.03928	2.5
67.05175	1.8
67.05505	25.2
69.07068	20.4
70.49629	1.5
71.04974	1.3
71.08628	1.8
71.39549	2.5
73.10701	1.5
75.43324	1.5
77.74408	1.7
79.05490	19.7
81.07060	47.1
83.08622	10.4
88.55363	1.5
91.05479	25.1
93.06470	2.7
93.07047	55.7
95.08613	43.9
97.06509	3.1
97.10162	5.9
105.07035	45.0
107.08597	49.6
109.10166	27.7
111.11739	2.1
117.06998	11.0
118.42971	1.7
119.07796	2.3
119.08585	32.3
121.10146	25.8
123.08018	1.8
123.11705	12.2
128.06233	3.7
129.06972	10.7
130.07814	1.8
131.08563	28.2
133.10135	29.9
135.11711	25.8
137.13278	2.0
141.06963	3.2
142.07755	4.1
143.08574	22.6
145.10132	25.8
147.11690	15.5
149.13246	10.8
155.01001	2.0
155.08543	5.6
156.09367	2.4
157.10161	23.5
158.10971	1.7
159.11693	27.6
161.13246	10.7
163.14769	11.0
169.10104	6.5
171.11687	20.9
172.12306	1.9
173.13274	13.5
175.14842	6.2
177.16389	5.6
183.11682	6.1
185.13252	14.8
187.14838	12.4
189.16399	8.3
191.18002	2.6
191.74356	1.6
197.13174	3.0
199.14822	16.2
201.16396	5.1
203.17935	5.5
211.14828	3.4
212.15630	1.8
213.16365	12.0
215.17877	7.4
217.19594	1.8
221.15514	2.0
225.16403	3.4
227.17917	11.6
229.19548	1.4
229.66377	1.4
239.17903	2.3
241.19479	6.3
241.51004	1.5
243.20953	1.7
249.18468	2.0
255.21204	2.8
269.22668	3.4
275.20029	2.2
277.21686	3.1
280.84842	1.8
289.21597	4.4
301.21539	2.9
303.23169	3.7
313.21497	1.9
315.23239	2.6
317.24738	3.6
327.23218	3.5
329.24747	3.9
341.24573	5.2
343.26291	18.5
351.26508	1.5
355.26306	5.8
369.27802	2.0
383.29288	1.9
393.31271	2.6
393.35645	1.7
395.42346	1.6
411.32507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3259
Annotation	6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol
Peak:m/z	Relative Intensity
53.03932	1.6
55.05513	9.4
57.07061	3.6
65.21428	1.0
67.05513	5.9
69.07078	11.0
69.83372	5.2
71.08634	2.2
71.97073	0.9
79.05498	6.7
81.07063	23.9
83.04980	1.0
83.08619	6.2
86.05256	0.9
91.05488	4.9
93.07056	10.6
95.08604	14.0
97.06535	2.4
97.10161	3.6
98.20879	1.4
105.07040	7.2
107.04965	1.2
107.08595	10.6
109.06506	5.4
109.10161	8.3
111.11759	1.2
117.07006	1.1
119.08586	5.0
121.06527	2.8
121.10182	7.8
123.08115	1.1
123.11727	6.3
124.00166	1.1
127.07521	1.1
131.08588	2.1
133.10138	8.0
135.08055	1.3
135.11687	5.6
137.05992	11.5
143.08527	1.5
145.10126	2.7
147.08026	1.9
147.11665	4.3
149.09592	1.1
149.13242	3.6
159.08073	1.5
161.09586	2.1
161.13235	3.5
163.11249	1.1
163.14854	2.0
171.08058	1.0
173.09608	3.6
175.11127	1.1
175.14845	3.0
177.09209	1.3
177.16290	1.0
187.11113	1.8
189.09108	7.6
189.16393	2.1
191.10660	2.6
195.85594	1.1
210.54614	1.0
213.55342	1.1
229.12263	1.6
231.13864	1.3
237.16046	1.3
259.24203	3.8
267.17374	1.3
285.18448	1.5
287.23685	4.3
327.23245	2.5
411.32571	100.0
412.32748	3.0
426.80038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	24-Methylenepollinastanone
Peak:m/z	Relative Intensity
53.03936	1.0
55.05508	2.7
57.07088	4.8
67.05509	4.0
67.92117	0.8
69.07070	8.9
70.73483	1.8
71.08652	5.0
71.36906	0.8
71.62908	0.7
79.05482	4.3
81.07067	16.2
83.05000	4.3
83.08605	3.0
84.97755	0.8
85.10193	2.9
91.05473	2.7
93.07058	6.1
95.08611	11.1
97.06557	4.8
97.10162	2.7
98.21025	1.4
100.13297	0.8
105.07021	3.8
107.04965	1.1
107.08596	6.0
107.76125	0.8
109.06512	1.1
109.10164	4.6
111.11709	1.9
119.08581	2.8
121.10123	4.2
123.11704	2.2
131.08574	2.1
133.10123	2.3
135.11740	4.6
139.82257	0.9
143.08592	3.0
145.10117	2.6
146.20802	0.9
147.08101	1.0
147.11694	1.3
149.09621	3.7
149.13251	3.4
157.10161	1.7
159.11719	1.6
161.09618	7.1
161.13364	1.0
163.11214	2.4
163.14859	4.6
175.11192	5.5
177.12750	1.1
177.16394	2.9
189.12605	1.2
191.17902	0.9
275.27377	6.5
411.36252	100.0
412.36584	2.1
429.41919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3625
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03947	1.5
55.05507	14.9
57.07067	4.6
57.88166	1.2
63.82570	1.4
65.03938	1.6
67.05505	22.9
67.83040	1.4
69.07072	22.0
69.66006	7.0
69.66427	2.3
71.04971	2.1
79.05499	16.9
81.07061	48.0
83.08617	14.5
84.96072	1.6
91.05484	19.8
92.05875	1.3
93.07053	44.1
93.07633	2.4
95.08611	100.0
97.10185	5.6
99.08068	2.1
101.39152	1.4
105.06347	1.3
105.07032	43.1
107.08599	73.6
109.10159	52.1
111.11713	2.5
117.07034	2.2
119.08588	69.6
121.10152	65.3
123.08075	4.0
123.11715	20.1
129.06961	1.5
131.08586	5.4
133.10143	39.4
135.08084	2.5
135.11699	34.9
135.12706	1.9
137.05992	3.7
137.13252	6.9
143.08627	4.0
145.10127	15.3
147.11694	32.4
147.12782	2.3
149.13261	27.4
149.14365	2.1
151.14897	2.2
157.10149	2.4
159.11720	12.9
161.13258	32.0
163.11284	2.6
163.14833	36.1
165.12784	4.6
165.16460	2.4
173.13283	10.3
175.14825	26.9
177.12840	2.4
177.16382	33.9
177.17798	2.0
179.14345	17.1
185.13295	2.4
187.14850	12.4
189.09146	1.8
189.16396	64.8
191.14368	2.7
191.17961	19.1
199.14890	2.7
201.16368	10.5
203.17967	40.2
203.38751	1.4
205.15955	5.4
205.19646	3.7
207.17500	4.3
213.16432	4.0
215.17990	8.2
217.19565	8.6
219.17458	3.0
227.18130	1.7
229.19633	5.5
231.21060	9.7
233.19157	3.5
241.19618	1.9
243.21120	2.6
245.22688	1.9
255.21181	3.2
257.22736	3.8
297.25876	2.5
315.26923	2.3
341.28461	1.7
362.93234	1.6
393.35263	16.7
411.14578	2.8
411.36383	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03943	1.6
55.05510	11.0
57.07076	2.5
59.05000	1.2
65.03941	0.9
67.05167	1.6
67.05505	19.8
69.07065	14.0
69.96819	1.6
69.97153	4.4
78.03275	0.9
79.05493	15.2
81.07056	46.9
83.05016	1.0
83.08617	7.0
84.89252	1.1
91.05474	11.0
93.07049	39.9
95.05002	1.5
95.08608	100.0
97.10159	3.7
99.08096	1.1
105.07037	25.1
105.66008	1.0
106.79420	1.0
107.08595	74.9
109.10155	39.2
109.10913	1.1
110.82654	0.9
111.08070	2.3
111.11737	1.8
117.06992	1.8
119.08584	35.2
121.10144	54.0
123.08074	2.0
123.11711	12.9
125.09631	1.0
127.11183	1.0
131.08566	4.0
133.10132	24.3
135.08121	1.3
135.11697	31.8
137.13283	5.1
145.10097	7.5
147.11688	16.6
149.13255	31.1
151.11214	1.7
157.10110	1.7
159.11731	6.8
159.12820	1.0
161.13255	19.8
163.11250	1.9
163.14822	57.3
165.12775	2.4
173.13271	7.0
175.14825	20.3
177.12775	2.1
177.16377	19.3
179.14337	7.1
181.15872	1.3
187.14792	12.3
189.16385	29.2
191.14322	1.4
191.17955	16.3
199.14810	1.2
201.16428	7.2
203.17966	33.5
205.15968	2.0
205.19513	4.9
207.17442	7.7
213.16425	1.8
215.18001	4.2
217.19525	6.6
219.17418	1.7
219.21039	1.1
221.18983	1.3
227.18019	1.8
229.19589	3.3
231.21048	12.3
233.18987	3.4
233.22688	1.4
243.21040	1.3
255.21025	1.3
257.22742	1.2
297.25751	9.8
315.26855	5.6
323.27466	1.2
341.28427	2.6
341.78989	1.0
393.35153	10.4
411.36246	70.7
412.36383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3625
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05500	15.2
66.58957	8.2
67.05492	26.9
69.07055	31.8
71.17469	14.5
79.05485	12.4
81.07060	62.2
83.08607	15.9
91.05472	22.2
93.07030	44.1
95.08610	100.0
96.16271	7.9
97.06552	9.5
105.07025	42.7
107.08608	56.9
109.06514	8.3
109.10174	61.1
115.51939	7.1
119.08627	38.8
121.10152	55.4
123.11689	25.3
133.10172	46.7
135.11690	29.4
147.11671	28.5
149.13258	21.8
159.11766	10.3
161.13281	33.7
163.14870	39.2
173.13205	13.9
175.14864	65.4
177.16411	39.0
180.84103	8.2
187.14815	18.7
189.16411	36.2
191.17952	23.2
200.49449	7.8
201.16325	14.1
203.17969	69.2
207.17447	13.3
215.17941	15.9
217.19493	9.6
234.27640	8.1
252.87155	7.7
393.35281	45.8
411.24503	14.0
411.36133	86.2
419.04446	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	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
51.38560	1.1
53.03946	1.3
55.05515	11.7
57.07060	5.0
66.12883	1.1
66.83613	1.3
67.05167	2.0
67.05506	24.3
67.80781	1.1
69.07070	17.8
71.58604	1.9
79.05486	14.4
80.72178	1.2
81.07061	50.6
83.08640	9.4
85.06544	1.8
91.05484	17.4
93.07046	37.8
95.08612	100.0
97.06502	1.3
97.10169	5.6
105.07040	27.2
107.07864	2.6
107.08599	51.6
109.10159	57.4
111.08089	3.7
111.11700	2.4
117.07026	3.8
119.07711	1.3
119.08587	45.6
121.10149	48.1
123.08112	1.3
123.11714	19.4
129.07040	1.5
131.08537	8.4
133.10136	39.7
135.11702	47.5
137.09695	1.2
137.13266	6.0
137.76149	1.1
143.08609	2.9
145.10109	13.2
147.11691	26.6
147.12794	1.9
149.13266	27.3
149.14371	2.1
151.11221	3.3
157.10159	4.0
159.11707	18.3
160.12492	1.7
161.13260	30.7
163.14844	25.0
165.12790	2.4
165.16423	4.6
171.11667	3.4
172.12616	1.4
173.13258	13.3
175.14836	50.2
177.14973	2.3
177.16412	23.4
179.14339	3.8
185.13240	2.7
187.14830	16.3
189.16400	38.0
191.14413	1.3
191.17961	26.5
193.15919	5.3
199.14876	4.4
200.15564	1.3
201.16399	16.8
203.17957	34.1
203.19742	2.5
205.15913	2.2
205.19572	5.0
207.17465	32.4
213.16434	4.2
215.17957	16.8
217.19514	12.6
219.17456	1.9
220.18480	1.2
221.19078	4.1
227.17975	3.9
229.19482	10.4
231.21042	7.5
233.19019	4.1
241.19588	4.2
243.21095	8.3
245.22675	2.8
247.20702	1.8
255.21024	6.1
257.22659	13.0
261.22137	1.6
269.22650	5.8
271.24380	5.5
287.23792	2.7
297.25827	8.5
315.26837	7.0
323.27231	2.4
325.28888	1.4
341.28406	4.8
351.30453	7.6
393.35223	44.4
411.31366	5.3
411.36267	63.9
412.36725	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3629
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
52.40419	3.5
55.05508	13.3
57.07071	9.8
67.05508	31.4
69.07083	25.3
70.70387	7.8
70.70727	4.4
71.08620	4.7
74.86110	3.4
79.05497	11.0
81.07066	54.0
83.08628	10.6
91.05485	11.3
93.07059	31.7
95.08098	3.6
95.08615	84.1
97.10182	6.3
98.98464	6.5
99.17020	4.0
105.07043	30.0
107.08601	57.9
109.10164	54.4
111.11781	4.5
112.21107	3.3
117.06992	4.6
119.08602	43.1
121.10149	50.0
123.11716	19.2
128.06349	4.6
131.08571	10.2
132.45671	3.1
133.10133	37.6
135.11690	40.7
137.13251	7.9
143.08606	3.8
145.10149	17.4
147.11700	25.9
147.78932	3.3
149.13271	22.4
155.01033	8.1
157.10126	5.6
159.11711	17.6
161.13263	25.3
163.14871	24.7
165.12737	3.6
167.43745	3.5
171.11697	5.9
173.13318	16.7
175.14838	26.0
177.16422	17.8
179.14383	10.6
185.13358	4.2
186.13988	4.4
187.14833	14.2
189.16415	37.9
191.17957	16.9
199.14835	7.9
201.16440	13.6
203.18007	34.9
205.19630	4.8
207.17439	3.5
213.16380	8.3
214.17090	3.7
215.17912	18.8
217.15909	3.4
217.19620	6.5
227.17995	9.0
229.19537	30.5
231.21100	13.0
233.19040	4.1
241.19542	7.2
243.21121	11.5
245.22664	5.7
247.20499	18.1
255.21118	5.9
257.22726	10.7
259.20615	4.7
261.22043	3.8
269.22540	5.7
271.24255	4.1
297.25891	5.6
353.07629	3.6
367.42535	4.1
393.35193	58.1
411.24991	19.9
411.36429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84720	1.1
53.03957	2.0
55.05515	13.1
56.96564	21.6
57.07063	4.0
59.08220	1.1
65.03931	1.5
67.05506	19.8
67.72939	1.0
69.07074	18.7
70.98119	5.2
71.04984	3.7
71.58765	1.5
71.59160	1.4
79.05496	12.2
80.37259	1.2
81.07059	46.9
83.08617	16.8
84.08141	2.0
85.06550	7.2
87.57583	1.2
88.99152	1.8
91.05476	14.2
93.07046	33.1
93.58842	1.3
95.04993	1.4
95.08607	100.0
96.08932	1.6
97.06502	1.3
97.10170	5.6
99.08122	2.4
103.05431	1.5
104.54491	1.1
105.07030	26.9
107.08597	53.4
109.10158	49.1
111.11741	1.8
113.09634	11.3
119.08586	44.4
121.10146	53.5
123.11723	17.3
125.09624	1.7
127.88898	1.2
131.08585	6.6
133.10138	41.4
135.11694	27.2
137.13248	6.4
139.42633	1.2
143.08556	2.2
145.10130	8.5
147.04378	1.3
147.11690	32.8
149.13264	26.4
157.10161	1.9
159.11694	9.8
161.13266	24.2
163.14830	24.6
171.11642	2.2
173.13254	5.7
175.14828	22.7
177.16371	18.7
185.13263	2.4
187.14839	7.3
189.16388	36.3
191.17960	79.4
193.15886	1.7
199.14940	2.3
201.16405	9.5
203.17966	34.4
203.19760	2.5
205.19476	6.6
207.17389	6.6
213.16348	3.5
215.17889	3.0
217.19495	14.5
219.17473	9.9
221.19011	7.4
229.19487	3.0
231.21172	1.6
233.18987	2.1
235.16919	2.3
239.02332	1.9
241.19510	1.9
243.21040	4.0
247.16989	1.5
257.03329	1.8
257.22665	2.6
269.22733	1.3
286.06149	1.9
293.56781	1.4
314.08618	1.3
324.58963	1.7
328.09152	1.7
337.09384	2.6
342.08704	1.5
358.09998	4.6
358.60287	4.2
359.09744	2.1
361.10019	1.8
365.31979	1.7
367.10672	2.4
369.60742	1.9
370.11136	2.0
393.35010	4.1
411.14334	5.0
411.36597	40.7
439.17419	1.9
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	Unknow
Peak:m/z	Relative Intensity
55.05505	10.5
55.41575	1.2
57.07080	4.0
67.05503	15.5
69.07069	17.4
70.72617	3.1
79.05485	10.7
81.07063	38.7
81.07519	2.4
83.08636	8.8
85.52969	1.4
88.12636	1.4
91.05481	19.3
93.07050	39.2
93.07626	2.1
95.04995	2.8
95.08614	70.8
95.44366	1.3
96.78664	1.4
97.10200	5.0
105.07036	46.5
107.08599	57.2
109.06557	1.9
109.10161	41.0
117.07052	3.1
119.08583	70.4
121.10151	51.4
123.08070	1.8
123.11712	14.4
129.07025	1.5
130.29515	1.2
131.08578	7.6
133.10138	58.9
135.11705	27.6
137.09726	1.4
137.13330	4.6
143.08667	1.8
145.10135	11.8
147.11694	41.9
147.12773	2.6
149.13257	19.9
151.11182	1.9
151.14795	2.1
157.10252	2.5
159.11678	9.4
161.13281	26.3
163.14827	29.2
171.11763	2.3
173.13254	7.7
175.11395	1.7
175.14854	24.9
177.12814	2.7
177.16405	26.5
177.17819	2.2
179.14313	6.6
185.13280	1.9
187.14828	13.5
189.16391	100.0
191.14403	1.4
191.17970	25.2
197.13347	1.8
201.16347	8.3
203.17970	65.9
205.16063	1.6
205.19574	3.3
207.17572	4.1
215.18126	5.2
217.19553	8.3
219.17613	1.7
221.19012	1.5
229.19655	4.6
231.21288	5.6
241.19618	1.5
243.21227	2.3
257.22632	2.4
269.22809	2.1
280.72961	1.6
340.27731	2.6
393.35580	6.8
399.54636	1.4
411.20749	1.7
411.36517	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	411.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.3
56.96569	2.9
57.07083	3.0
67.05511	14.0
69.07081	12.2
69.95582	1.8
70.08228	8.2
79.05474	10.8
80.61274	1.7
81.07066	32.5
83.08623	5.3
91.05485	22.9
93.07052	25.8
95.04979	2.3
95.08614	56.8
95.68350	1.7
97.10213	2.7
98.21531	2.2
105.07040	35.9
107.08609	41.3
107.66930	1.6
109.06532	2.2
109.10161	27.0
111.08039	2.8
117.07026	2.5
119.08591	49.6
121.10165	28.6
123.10944	1.8
123.11708	10.6
125.09611	2.0
129.06992	2.5
131.08542	6.6
133.10143	46.3
133.11092	3.7
135.10823	2.2
135.11725	20.5
137.13252	4.7
143.08615	2.4
145.10124	11.2
147.11697	28.4
149.02301	2.2
149.13269	15.3
157.10161	3.6
159.11687	9.6
161.13268	22.3
163.14842	16.8
173.13289	7.5
175.14838	15.4
177.16406	13.9
179.14322	4.4
185.13252	3.6
187.14857	10.6
189.16393	100.0
191.17986	18.0
201.16368	7.7
203.17984	42.6
205.19415	2.7
207.17436	2.5
211.19102	1.7
213.16602	1.7
215.17970	5.6
217.19576	6.3
219.17441	2.1
229.19522	1.9
231.21094	4.9
243.21071	2.4
255.21007	2.0
271.24258	2.1
279.03992	1.9
361.10547	1.9
393.35562	9.0
411.33087	6.4
411.36838	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	412.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38679	0.7
65.03950	1.5
66.46922	0.6
71.59355	0.9
78.75260	0.6
79.05484	0.7
81.07069	0.9
83.04982	0.7
91.05486	23.3
95.04978	0.7
97.02892	0.6
109.06509	1.2
111.04426	1.4
119.04946	12.5
121.02879	0.9
121.06494	1.0
135.04466	0.9
137.05986	100.0
138.06316	1.0
139.03893	1.2
149.02293	1.2
153.05481	1.5
165.05537	0.9
167.03394	1.9
180.06523	0.6
181.04945	1.7
209.04565	1.2
227.05608	1.0
241.07072	7.2
352.10184	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	412.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
58.08772	0.4
65.03940	0.4
69.20792	5.0
77.03929	0.7
79.05503	1.0
81.07026	0.8
82.57522	0.4
91.05484	3.2
93.07048	3.7
95.04968	5.3
103.05482	2.2
105.07059	0.5
109.06506	1.3
115.63892	0.4
119.04937	0.5
121.06509	58.6
121.36728	0.6
123.04421	1.0
127.09950	0.5
133.02812	1.3
136.24403	0.5
137.05975	2.4
151.03900	6.1
164.04419	0.5
164.07085	0.6
165.05481	100.0
166.05765	0.6
179.07043	1.3
192.35292	0.5
192.49294	0.5
193.04970	1.0
207.06577	2.3
225.07573	1.5
239.09126	4.6
250.07237	0.5
271.09735	1.4
359.58807	0.5
392.90396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08556	0.5
52.68562	0.6
53.03942	1.4
53.87864	0.4
54.38316	0.4
57.44397	0.4
58.59597	0.5
69.27505	4.6
69.27900	0.7
74.49022	0.5
77.34839	0.5
79.05491	0.6
91.05477	3.5
93.07045	6.1
95.04964	2.2
98.21110	2.4
103.05479	5.0
105.04542	0.8
121.06516	100.0
122.06840	1.2
143.44540	0.5
151.03903	1.4
160.73305	0.6
165.05486	5.9
201.57286	0.5
225.07661	1.0
239.09209	1.3
330.41284	0.5
355.03607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
53.81984	0.4
56.99064	0.4
63.85075	0.4
69.19900	0.4
70.57406	1.5
79.05478	1.3
81.07059	0.6
91.05486	3.8
95.04976	5.0
104.13014	0.6
105.04525	0.6
107.04951	0.7
109.06530	0.9
119.04963	2.7
121.06525	3.7
123.00787	2.0
123.04430	1.6
133.02881	2.3
135.04448	0.6
137.05992	3.4
147.04410	2.7
151.03917	5.9
155.03426	0.9
165.05482	100.0
166.05815	1.4
167.07094	0.9
175.03951	0.9
179.07021	5.4
179.24329	0.5
181.04991	0.5
193.05026	0.9
197.08109	0.6
199.07591	0.6
201.09093	0.4
207.06551	2.4
225.07645	1.7
228.99944	0.5
237.02861	0.5
239.09160	12.4
271.09628	1.3
285.11224	1.4
305.96576	0.5
345.13342	1.3
397.13614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.7
57.03442	36.2
59.04988	2.1
61.02933	14.1
64.94154	1.5
69.03429	32.9
69.47885	2.7
69.48288	9.0
71.01357	2.9
71.05000	8.1
73.02922	78.2
81.03416	7.3
81.07047	2.7
83.08631	8.9
84.08182	1.6
85.02911	100.0
86.09708	6.1
87.04479	7.1
91.03957	4.4
91.05508	2.6
93.07034	3.3
95.05001	2.1
95.08620	2.0
97.02900	53.0
99.04453	5.7
101.09636	3.1
103.03952	2.2
104.10742	8.8
105.07045	2.0
105.90520	1.6
107.08652	2.5
109.02896	9.6
109.10152	2.3
111.08109	2.7
113.09659	2.4
115.03938	50.7
121.06494	3.7
122.55886	1.9
125.09669	1.7
127.03924	30.0
129.09178	2.0
132.06561	3.3
133.04974	18.6
133.10126	2.0
138.55443	1.7
139.07578	6.0
141.09084	2.8
145.04968	53.5
150.07669	7.4
151.11160	4.9
163.06023	25.5
167.10725	2.6
169.08653	1.8
184.07375	9.0
191.10692	2.2
197.11771	2.6
209.11801	3.8
220.42348	1.6
223.06017	6.6
227.12805	4.9
241.07133	4.6
245.13855	5.0
259.08203	5.7
263.14883	9.7
295.10220	4.9
412.20496	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	412.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
61.35956	0.9
62.06088	1.5
67.05505	1.1
69.03434	1.8
69.07056	1.3
69.63094	3.3
69.63499	2.9
70.06598	100.0
71.04992	4.0
78.74753	1.1
79.05473	1.0
81.03413	1.7
81.07063	13.7
82.06607	1.4
83.04990	1.2
85.02931	5.5
91.05485	1.7
93.07053	2.9
95.04977	1.1
97.02891	3.9
97.06596	1.0
99.04427	1.2
101.06065	1.1
107.08615	3.2
109.02901	2.9
109.10181	3.9
110.06023	2.3
112.07616	3.7
121.06513	14.6
123.11716	4.3
127.03944	3.4
128.07106	4.6
130.08638	13.4
136.06178	5.9
139.11223	2.5
145.04977	1.4
147.04549	0.9
151.11243	6.3
157.12279	3.8
169.12248	9.5
187.05994	1.5
187.13313	36.0
187.14983	2.1
205.14377	16.6
251.05341	3.8
256.11890	4.0
274.12894	11.3
349.18652	1.2
412.19778	49.5
412.25381	5.2
413.10464	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	412.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32117	12.6
67.05495	31.3
69.07056	31.5
71.57897	17.1
79.05496	32.2
81.07045	47.7
83.08642	20.3
91.05463	25.2
93.07031	47.0
95.04964	13.8
95.08608	45.5
98.97569	14.6
105.07025	35.8
107.08569	32.1
109.06507	21.9
109.10216	18.2
119.05020	17.4
119.08579	40.0
121.06517	44.6
121.10147	29.4
123.11713	16.4
131.08606	23.7
133.10112	18.6
135.11639	16.1
137.06020	15.3
145.10133	22.6
147.04428	42.5
147.11696	17.9
159.11638	13.3
161.13234	14.3
164.07022	13.3
171.11633	13.2
195.12277	14.0
201.16422	15.8
211.28790	13.0
255.02423	12.5
275.20099	50.5
320.91782	12.9
349.23682	100.0
367.24796	26.9
380.91486	14.9
412.67444	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	412.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.5
55.05505	6.4
56.96555	4.4
63.22733	4.0
67.05510	12.9
69.07083	8.0
70.27502	14.7
79.05496	19.2
81.07064	18.1
83.04990	7.5
83.08646	4.4
91.05502	12.9
93.07040	21.3
95.04964	3.8
95.08625	14.0
97.06557	11.4
105.07042	14.3
107.04964	7.0
107.08614	25.0
109.06502	5.8
109.10187	7.7
111.08070	5.3
116.72231	4.3
119.08599	11.1
121.06519	11.8
121.10125	5.8
123.11694	4.7
124.99963	4.8
125.09636	5.3
130.56181	3.8
133.10104	10.7
145.10117	7.1
147.11739	9.5
149.09642	14.5
172.95335	5.9
173.13171	4.3
175.64258	4.5
184.07468	6.6
223.92935	4.9
250.14479	5.2
257.19104	6.9
261.12125	4.4
275.20044	48.7
349.23773	100.0
372.19073	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	413.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.4
69.79838	1.5
69.80232	1.5
72.11278	0.6
81.07055	0.8
84.08143	1.2
85.02898	2.3
91.05494	1.9
97.02915	0.8
98.97581	1.0
114.10307	1.5
119.04961	1.3
121.06520	0.6
137.05963	1.7
138.18138	0.7
140.43333	0.7
145.02864	0.8
148.04826	0.7
165.05510	0.8
173.02095	1.1
175.03961	1.2
177.05438	1.6
181.01086	2.6
184.72707	0.7
185.04259	2.7
203.05270	1.6
207.06418	6.4
215.07365	0.7
233.04277	8.3
233.15395	0.9
251.05299	36.5
255.08456	6.9
278.19092	0.8
346.96603	0.7
351.09341	0.8
355.99789	0.8
369.11633	6.3
395.09155	1.2
413.10532	100.0
414.10989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.0
57.03431	1.2
61.02925	0.5
67.05479	0.4
69.03432	1.3
70.06603	0.8
70.75870	1.0
81.03396	0.6
85.02912	3.3
85.06551	0.8
89.03876	0.4
97.02882	1.1
98.97601	3.8
107.04917	0.5
109.02881	0.6
110.97563	0.8
112.99082	0.5
115.03980	0.5
116.98620	1.4
117.03372	0.6
120.67813	0.4
121.02869	0.4
123.04439	0.5
127.03935	1.4
128.98610	0.7
135.04436	1.0
136.06180	1.2
137.05991	1.2
143.00241	0.7
145.02827	0.8
145.04982	0.8
146.45569	0.4
151.03877	0.4
158.99699	1.7
161.05980	0.6
162.04082	0.9
163.03925	3.3
177.00739	0.8
185.04288	1.2
201.00696	0.5
205.04739	4.3
219.01817	1.1
235.05780	0.4
237.02751	1.2
239.04683	0.6
250.08176	3.8
251.08861	5.2
261.57803	0.7
281.10098	0.7
413.14221	100.0
414.14279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1419
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.05506	0.8
56.05045	0.6
56.96556	0.4
57.03434	0.6
61.02921	0.4
64.46810	0.3
66.91129	0.3
69.03430	0.9
69.07080	0.4
70.06606	1.8
71.04984	0.3
71.45045	0.3
71.57154	0.3
71.57566	0.3
72.08175	0.4
74.06084	2.6
81.03401	0.3
83.08630	1.8
84.08136	0.6
85.02921	2.1
85.06523	0.5
86.09725	0.6
93.07035	0.3
97.02906	1.0
98.97572	0.8
99.04471	0.3
101.09658	1.4
102.05554	1.3
103.05486	0.4
107.43034	0.3
115.03944	0.4
116.07098	0.6
116.98576	0.4
117.03375	0.6
119.03554	3.1
119.04807	0.3
119.10677	0.7
120.06589	8.7
127.03913	0.5
127.46612	0.3
131.04939	1.4
135.04459	0.6
136.06200	100.0
137.04564	1.4
137.05943	0.6
145.02892	0.6
145.04918	0.3
149.34824	0.3
160.87740	0.2
162.04129	61.6
163.03862	1.8
163.07646	0.4
171.11276	0.3
177.05528	0.9
182.41762	0.3
199.10953	0.3
212.35722	0.3
217.11725	0.4
233.15262	0.3
237.02728	0.6
251.13867	0.4
263.09036	0.4
268.10486	0.8
281.09958	53.1
282.10291	0.4
290.43997	0.3
296.23792	0.3
320.25958	0.3
413.14444	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	413.142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04145	0.3
54.41978	0.3
59.66176	0.4
69.78278	1.5
79.30910	0.3
85.02901	1.0
87.20181	0.4
87.96822	0.4
97.02882	0.4
98.97589	0.5
108.08036	0.4
110.97599	0.3
113.02154	0.4
137.06068	0.4
156.25403	0.4
163.03883	0.6
177.05383	0.4
185.04208	1.3
189.05226	3.2
218.06126	0.4
235.05719	0.4
237.02191	0.9
250.08157	4.8
251.08929	6.0
380.29364	0.4
383.13333	0.4
384.28116	0.4
413.14203	100.0
414.14450	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01846	1.8
55.05509	3.0
60.80313	1.6
64.62794	1.7
69.03426	4.6
69.07043	1.9
70.07364	7.4
71.05004	2.1
78.04720	2.7
79.05496	12.5
81.03428	3.8
81.07058	4.5
83.04971	2.0
85.02915	3.4
85.06540	2.6
91.05479	12.6
93.07031	5.9
95.04963	3.8
95.08591	3.4
97.02908	2.5
97.06522	6.3
98.21471	2.5
98.97571	3.9
103.05477	6.5
103.24843	1.6
105.07032	13.0
107.04960	26.2
107.08580	6.5
107.87841	1.7
109.02854	1.6
109.06524	4.5
109.10156	2.5
115.43938	1.8
115.69043	1.7
117.06989	2.9
118.04165	3.1
119.04928	6.7
119.08563	5.2
121.06508	7.1
123.04401	7.5
124.05178	5.7
125.05966	6.3
128.06209	5.8
129.07037	2.4
130.04100	3.2
131.04938	10.8
131.08591	3.7
133.02922	2.1
133.06480	7.1
133.10135	3.1
134.46169	1.9
137.05989	30.0
138.06348	15.2
141.06995	2.8
143.07056	2.6
145.06613	2.4
145.10107	11.6
147.04399	2.6
148.52913	1.8
149.13293	9.0
151.03870	3.9
152.04651	3.4
153.51628	1.8
156.05626	2.1
159.08096	3.6
159.11729	4.4
161.05989	9.3
161.13260	2.6
163.07552	2.6
163.11133	3.7
163.78729	2.0
165.07022	2.5
167.07043	100.0
168.05727	2.2
171.08058	4.5
173.09647	5.0
175.07559	4.1
176.04671	3.9
177.05440	2.8
184.05196	8.5
187.07571	4.1
187.11224	4.4
189.06979	2.7
190.07768	6.0
191.07047	38.5
191.08694	1.9
191.10602	3.3
199.07541	38.8
202.07779	5.8
203.08537	6.1
205.12242	5.2
207.08089	2.3
215.08585	10.7
215.10670	4.6
216.09248	2.4
218.07314	13.0
219.08066	5.8
229.06505	2.2
231.08070	6.6
232.08815	7.3
233.09662	22.1
233.11742	4.2
233.15361	14.3
235.07465	5.9
243.08083	2.5
246.06758	6.4
247.07518	7.3
249.09134	4.1
250.09940	2.5
251.16470	16.0
257.06186	2.3
259.07516	5.8
260.08328	7.6
261.09091	25.6
263.07092	6.4
273.09155	2.7
274.06226	4.7
275.07028	5.1
275.10431	2.0
277.08621	2.6
278.09366	7.7
289.08591	41.6
290.09402	9.5
291.06409	2.2
291.10156	3.1
293.11798	8.6
306.08810	7.7
307.09769	5.0
321.11230	68.8
322.12048	8.7
323.09222	2.2
325.14252	3.6
338.11371	3.0
353.13824	20.5
376.86542	1.8
413.16922	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
65.03969	2.3
69.03458	1.6
78.04697	3.3
79.05502	11.3
81.03496	1.7
81.07053	4.5
91.05492	6.2
93.07085	2.6
95.04977	3.3
95.08576	1.4
97.02853	2.5
103.05502	7.6
105.04488	1.9
105.07037	6.3
106.04163	2.1
107.04952	22.9
107.08572	2.8
110.65006	1.6
115.05486	2.6
118.04148	3.5
119.08585	2.9
121.06505	2.8
121.10110	1.8
122.03709	1.8
123.04460	9.4
123.09479	1.4
124.05222	5.7
125.06010	3.2
128.06230	4.5
130.04117	2.5
131.04950	8.8
133.06491	3.3
137.05983	5.1
139.07594	1.8
141.07037	1.4
145.10106	3.1
146.03658	1.8
147.04443	2.1
149.05917	2.2
149.13252	4.2
151.03922	3.4
152.04704	3.3
156.05679	3.5
159.08087	2.7
161.05952	6.2
163.11147	1.7
165.05470	2.4
167.07053	100.0
168.05807	1.9
171.08046	2.3
173.09583	1.6
175.07484	2.8
176.04762	4.2
184.05243	5.8
187.07491	2.8
187.11208	1.6
189.07063	4.2
190.07819	5.9
191.07048	39.2
191.08665	2.3
191.14417	1.7
192.07655	1.5
198.54431	1.5
199.07565	33.0
202.07817	4.6
203.08557	8.7
204.09225	2.3
205.10168	3.3
207.08087	2.7
212.38875	1.4
215.08629	10.5
218.07281	10.7
219.08009	5.5
220.08820	2.6
221.09836	1.5
229.06595	2.1
231.08020	6.8
232.08768	5.7
233.09647	18.2
235.07544	6.1
237.64803	1.5
242.07289	2.0
243.08099	3.9
246.06856	7.1
247.07651	8.4
249.09094	6.4
250.09894	2.8
257.06058	3.3
259.07516	4.8
260.08383	6.2
261.09103	19.0
262.09814	2.2
263.07037	6.9
263.10327	1.3
265.12369	2.1
271.07492	1.9
274.06311	5.5
275.07001	4.1
276.07874	1.5
277.08615	4.1
278.09393	6.8
288.07794	2.2
289.08621	38.4
290.09354	8.3
291.06595	2.5
291.10080	3.1
293.08841	1.6
293.11774	11.2
306.08844	8.4
307.09628	5.0
321.11230	68.3
322.11932	6.3
325.14334	3.0
339.12238	2.5
353.13846	19.9
367.29877	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	413.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01857	1.4
64.85380	1.2
65.03957	1.3
78.04714	5.3
79.05500	14.0
81.03423	1.9
81.07050	5.7
91.05489	4.7
92.59410	1.5
95.04951	2.5
95.08637	2.3
103.05492	4.0
105.04534	1.4
105.07053	10.0
106.04176	3.4
107.04949	20.5
107.08587	3.9
115.05443	4.5
117.62252	1.2
118.04129	2.1
119.04903	2.1
119.08624	1.6
121.06525	2.0
121.10154	1.9
122.03609	1.8
122.54994	1.5
123.04431	7.6
124.05196	4.2
125.06002	2.2
128.06215	3.9
129.07022	1.9
130.04147	2.7
131.04922	9.2
132.05713	1.6
133.06499	3.2
133.10136	2.4
137.05981	5.0
141.06949	2.2
146.03603	1.6
147.04410	2.7
147.11656	1.4
149.13231	6.2
151.03850	3.3
152.04668	3.2
156.05692	2.6
159.08083	3.0
159.11703	2.0
161.05946	5.6
161.13234	3.4
163.03922	1.4
165.05499	1.4
167.07050	100.0
168.05681	2.9
171.08020	3.9
175.03975	1.4
175.07500	3.0
176.04678	3.5
177.05487	2.0
179.07059	1.5
181.08853	1.7
184.05223	5.0
189.07033	3.7
190.07787	7.5
191.07042	39.7
191.08569	3.2
198.62135	1.4
199.07553	35.3
200.07825	1.7
202.07803	5.4
203.08607	8.0
204.09319	2.5
205.10170	2.5
207.08081	3.9
215.08615	9.1
218.07256	11.7
219.08095	7.6
221.09633	1.5
229.06525	2.1
230.07275	1.7
231.08078	6.0
232.08763	4.6
233.09595	16.1
234.06726	1.7
235.07443	7.3
243.08093	4.8
246.06752	7.8
247.07544	4.2
248.08374	2.5
249.09126	3.7
257.06042	2.5
259.07498	3.6
260.08295	6.1
261.09094	19.7
262.09918	3.5
263.07043	7.5
271.07501	2.3
273.09015	2.5
274.06241	6.1
275.06937	4.9
275.10980	1.5
276.07892	1.5
277.08548	6.5
278.09409	8.1
279.10187	1.9
289.08597	40.2
290.09378	10.7
291.06494	4.0
291.10117	3.8
293.11609	8.9
303.10181	1.9
305.07901	1.7
306.08813	6.0
307.09586	2.6
321.11209	66.1
322.11847	5.4
323.08917	2.1
325.14389	3.9
338.11459	2.6
339.12201	2.9
353.13873	21.0
413.15509	1.6
414.15717	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01846	1.8
55.05509	3.0
60.80313	1.6
64.62794	1.7
69.03426	4.6
69.07043	1.9
70.07364	7.4
71.05004	2.1
78.04720	2.7
79.05496	12.5
81.03428	3.8
81.07058	4.5
83.04971	2.0
85.02915	3.4
85.06540	2.6
91.05479	12.6
93.07031	5.9
95.04963	3.8
95.08591	3.4
97.02908	2.5
97.06522	6.3
98.21471	2.5
98.97571	3.9
103.05477	6.5
103.24843	1.6
105.07032	13.0
107.04960	26.2
107.08580	6.5
107.87841	1.7
109.02854	1.6
109.06524	4.5
109.10156	2.5
115.43938	1.8
115.69043	1.7
117.06989	2.9
118.04165	3.1
119.04928	6.7
119.08563	5.2
121.06508	7.1
123.04401	7.5
124.05178	5.7
125.05966	6.3
128.06209	5.8
129.07037	2.4
130.04100	3.2
131.04938	10.8
131.08591	3.7
133.02922	2.1
133.06480	7.1
133.10135	3.1
134.46169	1.9
137.05989	30.0
138.06348	15.2
141.06995	2.8
143.07056	2.6
145.06613	2.4
145.10107	11.6
147.04399	2.6
148.52913	1.8
149.13293	9.0
151.03870	3.9
152.04651	3.4
153.51628	1.8
156.05626	2.1
159.08096	3.6
159.11729	4.4
161.05989	9.3
161.13260	2.6
163.07552	2.6
163.11133	3.7
163.78729	2.0
165.07022	2.5
167.07043	100.0
168.05727	2.2
171.08058	4.5
173.09647	5.0
175.07559	4.1
176.04671	3.9
177.05440	2.8
184.05196	8.5
187.07571	4.1
187.11224	4.4
189.06979	2.7
190.07768	6.0
191.07047	38.5
191.08694	1.9
191.10602	3.3
199.07541	38.8
202.07779	5.8
203.08537	6.1
205.12242	5.2
207.08089	2.3
215.08585	10.7
215.10670	4.6
216.09248	2.4
218.07314	13.0
219.08066	5.8
229.06505	2.2
231.08070	6.6
232.08815	7.3
233.09662	22.1
233.11742	4.2
233.15361	14.3
235.07465	5.9
243.08083	2.5
246.06758	6.4
247.07518	7.3
249.09134	4.1
250.09940	2.5
251.16470	16.0
257.06186	2.3
259.07516	5.8
260.08328	7.6
261.09091	25.6
263.07092	6.4
273.09155	2.7
274.06226	4.7
275.07028	5.1
275.10431	2.0
277.08621	2.6
278.09366	7.7
289.08591	41.6
290.09402	9.5
291.06409	2.2
291.10156	3.1
293.11798	8.6
306.08810	7.7
307.09769	5.0
321.11230	68.8
322.12048	8.7
323.09222	2.2
325.14252	3.6
338.11371	3.0
353.13824	20.5
376.86542	1.8
413.16922	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
61.29762	0.4
71.56973	0.6
81.03400	0.5
84.08142	0.5
85.02966	0.6
89.72154	0.4
91.05508	0.9
93.07069	0.8
94.73737	0.4
97.02905	0.6
98.21021	0.6
102.61081	0.4
107.08638	0.5
121.06516	1.5
137.06010	0.9
145.10153	0.6
147.04471	0.6
163.03897	2.9
164.04294	1.0
165.04462	1.1
173.09735	0.8
203.05338	1.2
215.10698	0.8
220.64384	0.5
224.57422	0.5
233.11749	0.5
233.15245	1.0
251.12569	22.9
251.16319	1.5
375.82007	0.6
413.21634	100.0
414.22137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.215
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
63.64650	0.4
69.03426	0.7
69.30122	2.3
69.30547	1.4
81.07054	0.6
85.02911	0.8
91.05521	0.6
93.07046	0.6
93.43448	0.4
97.02919	0.5
97.06555	0.6
105.07063	0.9
107.08587	0.6
109.06523	0.4
117.90194	0.5
120.05353	0.4
121.06497	0.9
131.08594	0.5
137.06004	1.2
138.06398	0.6
145.10173	0.7
159.11769	0.5
162.63644	0.4
163.11177	0.6
168.39328	0.4
173.09579	0.6
180.01883	0.4
187.11189	0.6
191.10721	0.5
209.11749	0.5
215.10733	0.4
240.48260	0.5
246.22215	0.4
251.12785	0.8
251.16219	0.9
293.17224	0.6
329.91641	0.4
402.65768	0.4
413.21521	100.0
414.21866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91182	0.4
52.07518	0.3
53.03938	0.6
55.05514	1.8
57.07067	0.5
67.05507	3.2
67.14631	0.3
69.07067	4.2
69.52391	0.7
69.52806	1.8
79.05499	5.4
80.52086	0.3
81.07061	11.3
83.08614	0.8
91.05491	5.8
93.07050	20.1
95.04993	0.6
95.08607	7.2
97.10152	0.4
98.97567	0.6
99.08093	2.6
103.05486	0.4
105.06307	0.3
105.07037	11.0
107.08601	32.0
109.06509	0.4
109.10163	2.3
117.07037	1.4
119.08593	12.0
121.10149	11.3
123.08029	0.5
123.11700	0.8
129.07021	0.4
131.08583	7.3
133.10139	7.1
135.11667	1.8
143.08530	1.0
144.09317	0.6
144.53314	0.3
145.10136	6.2
147.11699	13.4
149.13264	100.0
150.13591	1.2
157.10118	2.0
159.11702	7.5
161.13269	19.9
163.14787	2.0
165.09122	0.4
168.91335	0.4
169.10217	0.8
171.11711	1.5
173.13239	3.2
175.14832	5.4
177.16354	0.8
179.14333	4.9
183.11731	0.7
185.13280	2.1
187.14833	3.3
189.16385	10.4
191.14392	0.3
193.15883	0.4
195.13811	0.4
197.13252	0.4
199.14839	1.4
201.16394	8.3
203.14276	0.7
203.17998	1.3
205.15868	0.4
209.13203	0.6
211.14816	0.5
213.16380	0.8
215.17993	0.6
217.15843	0.8
217.19435	0.5
219.17488	1.6
225.16431	0.8
227.17998	1.2
239.18079	0.6
243.17537	0.4
247.16933	0.5
253.19557	0.4
271.20883	0.5
279.21033	0.5
295.24118	1.7
307.24307	0.6
325.25232	0.5
349.28815	2.4
353.24844	0.5
367.29996	12.7
368.30231	0.6
377.28430	1.1
395.29382	4.7
395.33603	0.4
413.21378	0.7
413.30588	14.1
414.30875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05513	1.8
57.07086	0.4
63.42907	0.3
65.03949	0.4
65.63965	0.3
67.05508	2.7
69.03406	0.4
69.07069	3.5
69.50290	0.3
77.03944	0.4
78.73217	0.3
79.05499	5.9
81.03420	0.4
81.07063	9.0
83.08620	0.8
85.06561	0.6
87.53552	0.2
91.05483	5.0
93.07052	19.0
95.04971	1.6
95.08044	0.5
95.08617	6.4
96.05309	0.3
97.02911	0.6
97.06523	0.4
99.08107	3.0
105.04544	0.3
105.07038	11.9
105.54343	0.3
107.08603	30.0
109.02861	0.3
109.06518	0.6
109.10159	1.6
117.07047	1.1
119.08595	11.9
119.09448	0.6
121.06525	1.0
121.10150	9.3
123.04463	0.3
123.08030	0.3
123.11633	0.4
125.06043	0.5
128.06322	0.3
129.07028	0.7
130.07825	0.3
131.08577	7.0
133.10144	7.2
135.08115	0.4
135.11722	1.8
137.05972	0.9
143.08557	0.9
144.09406	0.6
145.10135	6.2
147.04306	0.3
147.11700	12.3
149.13269	100.0
150.13615	1.0
151.03880	0.7
152.04239	0.3
157.10152	1.4
159.11702	7.4
161.13277	19.5
163.11145	0.5
163.14867	1.5
165.05515	3.0
165.12740	0.3
166.05820	2.2
167.07076	0.7
169.10168	0.5
171.11705	0.7
172.12495	0.4
173.09721	0.4
173.13307	2.7
175.14838	5.3
177.16415	0.8
179.14337	4.7
183.11630	0.7
185.13342	1.7
187.11217	0.4
187.14816	3.6
189.16389	10.4
191.06979	0.4
197.13184	0.5
199.07617	0.7
199.14851	1.6
201.16406	8.5
202.09404	0.4
202.20181	0.3
203.14241	0.8
203.17992	0.9
205.15825	0.4
210.07634	0.4
213.16388	0.9
215.17995	0.4
217.15872	0.8
219.17462	1.0
221.19130	0.3
225.16533	0.6
227.17989	1.4
229.15892	0.4
233.15381	0.3
239.17967	0.7
253.19600	0.5
272.10144	0.4
279.21127	0.6
281.19235	0.3
295.24268	1.7
307.24359	0.9
314.11365	0.5
339.12253	0.8
346.13687	0.7
349.28775	2.4
367.29971	12.4
377.28235	0.5
377.85388	0.3
395.29434	4.5
413.30539	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	413.3053
Annotation	Sargachromanol C
Peak:m/z	Relative Intensity
53.03943	1.6
54.22847	1.1
55.05500	4.3
57.07090	1.2
64.70797	0.9
67.05512	6.8
67.61488	0.9
69.07076	6.2
69.19694	11.0
69.87869	1.0
71.05004	6.6
79.05484	7.1
81.03445	1.2
81.07069	15.7
82.40072	1.0
83.04970	2.3
83.08610	1.7
91.05493	5.4
93.07051	14.4
95.05009	1.7
95.08623	12.0
97.06516	3.0
98.21549	1.5
99.04451	1.5
99.08112	2.5
105.07044	8.6
107.08607	12.7
109.06541	6.6
109.10174	11.9
112.38136	1.0
117.07033	3.5
119.08590	13.4
121.06521	6.2
121.10152	10.5
122.10496	1.2
123.08016	1.3
123.11721	4.5
127.07525	1.7
127.11202	11.2
129.07013	2.0
131.08572	5.5
133.06425	1.0
133.10141	10.4
135.08046	2.5
135.11679	9.9
137.05991	11.3
137.13283	1.4
143.08577	3.3
145.10176	7.2
147.08063	1.4
147.11705	7.1
149.13254	3.4
155.08554	1.5
157.10123	2.5
159.08057	1.4
159.11691	6.8
161.09677	3.6
161.13293	2.4
163.07542	1.4
163.11221	1.3
163.14839	3.2
165.09222	2.2
169.10178	1.9
171.11734	2.5
173.09653	10.5
173.13286	5.1
175.11205	2.7
175.14819	13.4
177.09117	2.1
177.16423	1.4
178.69945	1.1
183.11627	1.0
185.13213	1.2
187.11192	2.1
187.14841	2.8
189.09128	3.6
189.12845	1.6
189.16428	3.0
191.10701	2.6
191.14142	1.1
191.17743	1.3
197.79749	1.1
199.11078	1.1
199.14775	1.1
201.16388	2.2
203.17964	2.6
213.12744	1.4
217.19568	1.9
243.21077	5.3
245.15512	1.3
261.22073	2.7
271.16867	1.1
289.21722	5.2
309.22095	2.3
377.28323	2.5
395.29489	10.9
413.30542	100.0
414.30856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3054
Annotation	Delta4-diketol
Peak:m/z	Relative Intensity
50.26030	2.0
52.75678	2.0
55.05512	10.9
57.07083	3.7
67.05510	21.1
69.07077	16.7
71.05005	22.3
71.08659	3.0
71.48293	4.3
77.05171	2.0
79.05511	17.5
81.03456	2.4
81.07075	39.6
83.04980	4.0
83.08630	8.5
83.89511	2.3
85.06555	4.2
91.05484	25.0
91.51437	2.6
93.07056	38.6
95.04962	5.6
95.08033	4.2
95.08611	40.6
97.06525	7.9
97.10175	3.9
99.08107	17.4
105.07042	30.9
107.04962	10.1
107.08609	41.2
109.06532	13.7
109.10162	39.6
111.11748	3.2
117.07030	8.5
119.08600	25.8
121.06522	34.0
121.10157	32.1
123.08087	4.3
123.11714	12.3
125.05997	6.3
127.11207	34.0
129.07021	6.3
131.08568	20.2
133.06490	4.3
133.10152	34.8
135.08058	10.2
135.11699	27.2
137.05988	9.2
137.09612	3.1
137.13280	3.1
141.07054	4.2
142.07735	4.4
143.08630	14.0
145.06516	4.7
145.10132	32.4
147.08055	16.3
147.11693	22.0
149.09689	2.8
149.13290	8.5
153.12729	3.3
155.08572	9.8
156.09285	2.5
157.10095	11.2
159.08080	9.6
159.11722	24.9
161.09631	10.6
161.13295	15.2
163.11235	5.1
163.14833	7.2
167.08614	3.0
169.10117	11.4
171.08069	10.4
171.11674	11.7
173.09639	35.4
173.13251	10.9
175.11232	12.0
175.14816	12.4
177.12666	2.8
177.16386	7.0
180.09283	2.9
181.10155	3.4
183.11745	7.7
185.13301	8.4
187.11211	13.6
187.14848	8.8
189.12793	6.8
189.16380	5.9
191.14359	3.7
191.17943	5.1
195.11729	7.2
195.13966	2.4
197.13258	6.6
199.11278	3.2
199.14827	9.0
201.12762	4.5
201.16405	7.7
203.18042	8.7
205.19632	3.0
209.13263	7.3
211.14868	5.0
213.12689	4.8
213.16422	2.7
215.14339	5.1
215.18143	2.6
223.14896	4.3
225.12738	3.4
227.14291	7.7
237.16371	2.8
239.18079	3.1
241.15918	2.9
241.19542	3.5
243.21053	5.3
247.14867	2.5
251.17979	2.6
253.19626	2.6
254.15688	4.2
257.18924	3.4
257.92905	2.7
267.17319	4.6
269.19095	3.0
285.18466	2.6
291.20950	4.9
297.22125	8.4
309.22226	11.8
311.20230	4.4
313.21481	4.4
315.23175	8.1
325.21609	3.9
327.23212	7.9
335.23697	2.9
337.25217	5.0
339.23251	4.4
351.27008	4.2
353.28369	5.7
355.26355	7.9
367.29990	4.2
377.28452	30.8
385.31268	3.6
395.29489	65.8
413.30530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.05270	1.2
55.05522	29.4
57.03439	8.5
57.07083	31.1
60.46927	1.0
67.05509	16.5
67.25340	1.1
69.03439	1.9
69.07078	41.1
69.50356	2.1
69.50763	6.5
71.04987	1.8
71.08643	20.6
79.05508	7.1
81.07069	23.8
83.04974	2.0
83.08633	28.3
85.06566	2.4
85.10194	11.4
91.05490	2.9
93.07058	12.3
95.08617	26.2
97.06535	6.7
97.10181	21.1
99.08114	1.5
99.11723	1.9
101.06051	1.6
105.07020	1.5
107.08603	9.9
109.10167	12.8
111.08105	4.7
111.11728	7.7
119.08589	2.9
120.41312	1.2
121.06483	1.8
121.10159	11.6
123.11727	6.8
125.09652	4.0
125.13289	1.9
129.09087	1.5
135.11717	10.4
137.13274	3.3
139.11179	4.7
143.10736	1.2
147.11731	2.0
149.13274	9.7
153.12778	2.0
163.14828	6.5
167.14325	1.7
175.14801	1.4
177.16389	5.3
181.15826	3.0
189.16385	1.9
189.19424	1.1
191.17928	2.8
195.17421	1.6
199.16925	1.2
203.18149	1.4
205.19583	2.4
217.19632	1.4
237.22186	1.6
257.79547	1.2
261.25958	1.5
303.30475	4.5
321.31506	11.6
395.35260	14.9
413.36362	100.0
414.36963	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3778
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
53.03936	2.1
55.05515	13.3
57.07067	5.0
60.29218	1.3
67.05173	2.3
67.05506	28.1
68.53146	1.4
69.07072	29.0
71.08627	3.0
71.42368	1.9
79.05494	12.2
81.07060	62.4
83.08629	14.9
85.06543	1.7
91.05463	10.8
93.07049	40.5
95.08612	99.0
96.08911	1.8
97.06488	2.0
97.10184	14.0
105.07033	17.7
107.08599	52.6
109.06502	1.8
109.10162	67.1
111.08091	4.6
111.11713	6.6
118.82049	1.6
119.08598	20.0
121.10155	45.7
123.08055	2.0
123.11708	36.8
125.09675	2.3
125.32894	1.4
133.10132	20.5
135.11707	29.2
137.09537	2.1
137.13272	12.8
145.10147	3.1
147.11691	15.9
149.13272	44.7
151.11215	3.0
151.14828	5.8
153.12779	2.4
159.11678	2.5
161.13281	16.4
162.89485	1.6
163.14825	49.9
165.12767	11.4
165.16451	3.8
173.13321	2.4
175.14854	14.7
177.16391	50.9
179.14355	7.7
179.17949	4.4
187.14827	4.5
189.16373	19.2
191.17966	23.2
193.15866	2.6
193.19443	3.7
203.17970	30.3
205.19482	8.8
207.17453	4.6
217.19492	17.8
219.21225	1.7
221.19044	3.9
231.21124	4.8
233.22646	3.4
235.20477	3.3
245.22592	2.0
247.24307	4.7
274.00659	1.5
281.99344	1.9
287.27316	1.9
301.28955	3.5
308.53699	1.9
341.32211	2.0
343.30035	2.3
395.36789	32.5
413.33096	5.4
413.37845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.3
51.02376	0.4
52.67442	0.2
53.03946	2.3
55.01875	0.3
57.03458	0.2
65.03941	0.4
67.05496	0.4
69.03419	0.4
71.57039	0.4
73.41351	0.2
77.03946	0.7
79.05489	0.6
80.05042	0.3
81.07079	0.3
84.08132	0.3
85.02914	0.3
85.36180	0.2
91.05482	8.8
92.05032	0.2
93.07050	11.5
94.06580	0.7
95.04974	2.9
103.05476	9.8
105.04523	1.1
105.07060	0.2
106.06555	0.7
107.04958	0.4
109.72521	0.2
110.03255	0.2
112.11257	0.5
115.05458	0.2
118.06524	1.4
120.08138	0.5
121.06511	100.0
122.06020	1.2
122.06856	1.0
123.04440	0.4
124.03966	0.4
127.00687	0.5
132.08086	0.7
134.06029	0.5
134.09636	0.3
135.01733	0.2
136.07571	0.3
137.05997	0.6
138.05484	3.5
138.06386	0.2
139.07642	0.3
146.06049	0.4
148.07561	0.3
150.05516	1.6
151.03900	0.6
151.07538	0.6
156.06551	1.6
160.07562	0.6
162.05524	1.2
162.09143	1.1
164.07060	1.1
166.05011	0.8
167.07086	0.3
168.06590	0.6
178.08684	0.8
180.10191	0.2
184.06042	1.5
188.06969	0.3
189.09125	0.2
190.04993	4.0
190.08603	0.4
193.07353	0.5
206.08127	4.4
208.06062	6.7
208.09576	1.9
224.09198	0.7
234.07690	0.5
250.07176	1.1
251.07869	0.6
252.08678	80.0
253.08994	0.8
284.10434	0.2
294.09723	10.6
324.66861	0.6
372.14438	31.8
373.14612	0.6
383.10767	0.2
405.62149	0.2
414.15082	0.4
415.13840	1.6
429.12286	0.2
430.12836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.9
55.05520	1.9
56.96559	5.8
57.03445	10.3
59.04998	3.2
61.02918	3.3
69.03434	45.1
70.06588	3.3
71.04994	2.6
71.58056	2.5
73.02914	6.1
79.05482	2.4
81.03411	7.0
81.07065	2.2
84.96041	2.5
85.02912	57.6
85.06077	2.4
85.06550	34.6
86.09696	1.9
87.04479	27.1
89.03921	15.9
91.03993	3.3
95.04940	2.9
97.02898	39.5
98.97596	18.8
99.04446	2.3
103.07603	8.4
104.37286	2.0
107.04958	4.0
109.02876	4.8
109.06532	3.1
110.97556	4.4
111.04482	2.6
112.99149	2.5
115.03169	2.4
115.03943	39.0
116.98600	7.6
117.03371	13.2
123.04446	2.4
123.08043	2.3
124.99120	2.3
127.03927	13.7
128.98622	6.7
131.00168	2.1
133.03987	3.2
133.04979	46.9
134.99718	1.9
135.04425	22.5
135.08026	3.3
136.06194	2.1
137.05945	3.9
143.00156	5.1
145.02872	12.3
145.03781	1.6
145.04010	2.3
145.04945	19.0
146.99666	1.8
147.04384	2.1
150.07652	2.0
152.98503	1.6
153.09123	3.6
158.99666	7.1
161.01288	3.2
163.03917	100.0
163.06064	5.9
164.04260	5.3
164.44958	1.7
170.99672	4.1
177.00732	4.9
177.47208	1.8
181.08600	2.9
182.03751	1.6
182.99664	1.9
185.01218	1.8
189.00717	3.7
199.09653	10.6
199.99802	2.9
201.00668	2.7
203.02335	2.2
207.98546	1.9
211.09756	2.2
212.06192	3.2
217.10669	4.5
219.01811	11.4
229.10703	6.1
234.11371	1.7
237.02776	8.4
238.38657	1.6
252.06941	2.7
259.08047	3.3
281.07761	1.9
359.06525	2.7
405.72711	2.0
414.14197	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	414.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15891	1.0
52.22173	0.9
53.03943	1.9
55.01870	1.2
55.05508	3.3
64.89313	1.0
67.05513	5.5
69.07069	3.7
70.04187	3.5
71.08634	5.7
79.05497	6.7
81.03417	1.1
81.07060	10.8
83.04969	2.6
83.08625	0.9
91.05482	10.2
93.07047	15.5
95.04963	3.4
95.08603	6.0
97.06517	1.5
99.08128	4.5
103.05473	7.6
105.07023	3.9
107.05016	1.5
107.08617	5.4
109.10163	2.7
112.11286	2.2
119.08602	2.6
121.06515	100.0
121.10166	3.2
122.06846	2.6
125.09623	1.4
131.08572	1.3
133.10129	2.6
135.11699	6.2
147.11673	1.3
151.11201	2.5
154.94150	1.3
155.01076	1.2
159.11838	1.3
161.13237	2.4
172.95233	1.3
179.14325	16.7
184.07343	1.3
277.21634	16.6
318.08463	0.9
324.09317	2.0
324.66672	2.4
351.25299	45.9
357.12537	1.1
415.28088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.3
56.96559	4.8
57.03401	1.9
64.93652	1.8
67.05502	6.5
69.07053	6.5
69.50595	9.3
69.51005	4.6
69.88307	2.0
71.08641	13.0
79.05490	13.7
81.07057	14.1
83.04979	2.5
83.08631	3.0
84.08160	3.6
86.09710	4.0
91.05472	10.4
93.07042	20.5
95.04980	3.9
95.08588	12.9
99.08090	11.7
104.10730	12.0
105.07031	6.1
107.08573	9.7
109.10168	4.5
112.11256	3.5
117.07010	2.1
119.08589	7.1
121.06504	12.1
121.10143	10.1
124.99982	3.3
129.52455	4.3
133.10139	3.8
135.11719	12.6
138.52962	7.0
145.10149	2.7
147.11684	2.8
148.53204	3.4
149.13245	3.0
151.11134	4.7
157.53787	4.8
163.84488	2.0
166.54216	3.6
169.04599	2.0
179.14314	31.9
184.07321	6.3
248.62749	2.6
266.63943	14.6
267.14148	5.5
275.64377	3.4
277.21600	23.8
287.15237	3.3
311.18927	1.9
324.66702	3.0
351.25281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.8
56.96557	7.2
57.03413	3.0
67.05505	6.9
69.07066	5.2
71.57028	2.6
76.24284	2.6
79.05488	9.4
81.07076	12.2
81.07482	2.6
83.08605	2.9
84.08130	6.6
89.25413	2.4
91.05481	18.8
93.07043	20.9
95.04981	3.3
95.08598	10.3
97.02890	2.5
98.00519	2.3
103.05522	3.0
105.07018	12.0
107.08584	12.5
108.96587	2.3
109.10146	3.4
112.11264	9.9
115.88078	2.4
117.07039	6.7
119.08594	100.0
119.65550	2.5
121.06509	23.6
121.10152	4.5
123.11669	2.7
131.08598	5.7
133.10133	11.1
135.08090	3.3
135.11702	9.2
145.10175	7.1
146.06903	2.5
147.11705	6.6
149.13232	5.6
155.14369	2.6
156.48018	2.5
157.10187	2.7
159.11699	3.2
161.13277	8.4
171.11678	3.2
175.14931	3.3
184.07321	2.8
185.13174	4.3
204.89203	2.4
234.15022	2.9
241.19586	5.2
259.20593	24.1
312.19574	2.3
324.66818	8.3
332.65768	7.7
333.24158	4.1
351.25375	18.9
352.21225	2.8
378.75848	2.7
413.68399	9.7
414.19144	5.0
415.28461	3.3
435.78732	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	414.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50780	3.8
55.05496	10.2
56.96581	6.1
57.03418	6.3
61.02961	6.4
65.88625	3.9
67.05511	21.9
69.07066	9.2
69.78600	25.6
71.01357	7.6
71.05045	4.8
73.02921	5.2
75.28883	4.7
79.05488	21.8
81.07075	27.0
83.04990	12.1
84.08167	14.4
85.02920	9.7
85.06512	4.8
91.05480	25.3
93.07043	38.0
95.04988	7.6
95.08641	22.1
97.02887	8.3
98.97602	6.2
105.07031	35.5
107.08612	15.5
109.10170	13.4
112.11239	12.9
117.07033	5.8
119.08595	100.0
120.79090	5.7
121.06514	35.0
121.10174	22.1
123.11708	17.2
131.08582	12.3
133.10132	16.3
135.11716	14.6
136.93088	5.1
145.10139	13.6
147.11711	11.4
149.13277	8.9
154.94156	10.5
159.11650	6.8
161.13205	5.9
175.14799	4.6
228.74992	5.1
240.01376	5.0
241.19591	14.1
244.25414	4.9
259.20651	39.8
324.66791	11.1
332.65820	10.8
333.15845	7.3
351.25424	32.8
373.01877	8.0
391.03165	6.7
413.68335	14.9
414.18735	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	415.1003
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
55.00184	3.5
69.99500	11.8
71.04995	8.0
73.17121	3.9
79.81977	3.6
85.02888	10.7
98.20782	4.2
151.94087	3.6
223.06647	7.9
245.12265	3.8
265.07709	10.2
273.65442	3.2
300.46359	3.8
304.02209	3.6
359.65247	3.8
415.04782	7.2
415.10010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1009
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
56.85287	2.0
57.03426	3.5
57.73629	1.9
61.02937	2.5
69.03416	8.8
70.06591	6.0
71.04967	6.2
71.41067	3.6
73.02920	2.8
81.03414	5.2
85.02911	27.6
86.03222	2.3
91.05465	2.3
97.02888	6.4
101.00871	6.9
119.01917	7.9
121.06499	12.9
122.06828	2.9
127.03870	5.3
137.06017	3.1
139.02428	2.3
143.01880	5.5
145.03372	3.3
154.03693	2.0
157.03464	8.5
163.03926	3.5
175.02919	1.9
175.04459	3.1
182.00040	2.0
185.03008	3.0
199.33725	2.1
205.05589	8.3
219.05542	2.2
223.06638	21.7
233.06360	4.1
241.07738	3.9
241.16699	2.2
245.05089	4.6
265.07718	44.4
277.07666	3.7
307.08649	5.2
319.90512	2.2
334.34067	2.4
367.10428	2.6
397.11813	3.6
415.04279	6.5
415.09955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1005
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
56.96572	16.0
57.03431	1.8
57.57732	1.2
64.41030	1.3
66.92715	1.5
69.03416	5.0
69.55676	7.5
70.06604	10.5
71.04980	5.2
81.03417	3.1
83.04976	2.3
84.04494	1.9
84.08134	2.8
84.96033	1.4
85.02921	12.6
85.06516	1.6
86.09715	2.6
89.03926	1.6
91.05482	2.3
97.02914	9.4
98.97581	9.4
102.17840	1.2
107.05048	1.5
110.97569	3.7
116.98636	3.4
117.03394	2.3
119.08638	1.7
121.02843	3.9
121.06472	3.9
127.03935	2.0
128.98584	1.8
135.04436	1.4
137.05989	4.1
145.02835	2.6
147.04420	2.1
158.99687	2.5
163.03899	11.4
167.07140	1.6
177.05492	3.0
181.01758	2.1
181.05025	2.6
185.01335	1.5
192.03770	1.7
197.04877	1.9
199.02721	2.9
207.03278	3.4
209.04927	3.1
211.02872	1.5
219.01791	4.4
223.02843	3.2
225.04384	1.6
227.05956	3.9
229.03871	2.6
235.02678	6.6
235.06099	1.5
235.09590	1.7
237.02719	3.4
239.90079	1.6
241.03773	6.7
253.03850	23.0
253.06659	2.3
259.05014	2.3
271.02328	1.2
271.04889	32.9
289.06091	2.2
295.04944	16.9
313.05981	5.1
339.07452	2.3
344.09363	1.5
350.70840	1.6
415.09775	100.0
415.15256	7.7
416.09943	2.5
433.10309	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	415.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
56.96565	27.7
57.03411	11.7
61.02898	8.5
65.09276	2.5
67.05499	5.1
69.03436	20.1
70.06561	5.0
70.27616	8.8
71.04971	5.6
73.02928	16.9
73.06528	2.8
79.05509	2.7
81.03371	7.9
83.04950	3.7
84.08131	5.2
84.22380	2.8
84.95981	8.1
85.02450	2.9
85.02910	44.5
85.06541	14.4
85.06947	2.7
86.03209	2.6
87.04434	7.5
90.20439	2.8
91.03917	3.1
91.05465	5.7
97.02907	19.2
98.67989	3.0
98.97590	100.0
99.04446	3.6
101.95070	3.1
103.07575	6.4
107.04929	3.5
109.02843	4.6
110.97598	18.3
112.37804	2.4
112.99072	2.9
114.10195	3.5
115.03929	4.9
116.98631	35.3
117.03313	3.5
119.01878	3.6
119.04990	6.6
121.08530	7.5
124.99072	2.8
127.03864	12.2
128.98636	17.5
131.00127	5.0
131.04890	4.0
134.99615	6.3
135.04352	7.5
137.05957	20.3
143.00127	7.6
145.02734	4.4
145.04906	7.9
146.99591	8.3
147.04372	12.7
152.05605	10.7
152.98639	4.1
158.99661	25.0
159.03172	3.6
161.01115	7.7
161.04605	3.9
161.05864	3.7
163.02733	3.0
163.03897	26.4
164.04187	8.5
167.07027	4.8
170.05107	7.9
170.99551	6.6
177.00746	17.3
177.05530	5.1
179.02213	3.2
179.07004	3.5
181.08582	4.7
189.00661	6.1
189.04338	3.1
191.03810	4.4
192.04643	5.7
194.99646	2.9
197.01190	2.9
197.08322	3.0
201.00703	8.3
211.02699	4.6
212.06033	4.1
219.01802	32.3
223.02792	3.6
223.06650	3.8
223.85840	2.5
227.06822	32.6
229.03687	4.2
233.16837	2.8
235.02730	7.5
237.00552	2.8
237.02820	48.3
239.04298	10.0
241.03688	9.9
242.57439	3.1
253.03781	11.0
255.05963	2.6
259.04987	3.5
259.08051	2.3
271.04837	16.0
277.03674	6.6
281.05557	3.5
281.08713	5.3
282.07858	4.6
282.57938	4.5
283.08646	6.2
295.04733	11.0
305.91605	2.6
307.07227	3.0
309.08453	6.7
313.05905	5.8
321.08475	3.8
324.10516	6.2
325.05847	3.5
340.10583	4.7
355.07010	15.5
373.07874	11.4
415.09698	94.1
433.09933	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	415.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72620	2.3
69.73503	5.4
69.73920	5.2
71.99847	1.9
78.81713	1.8
79.05483	6.7
81.07059	2.9
90.94250	1.8
91.05494	7.3
94.04157	3.1
95.04917	2.5
98.10722	1.9
105.07009	2.6
107.04974	9.0
115.05456	2.4
119.04974	3.6
121.06534	2.1
122.03645	2.1
124.74934	2.2
125.05994	2.5
129.07042	3.1
131.04976	2.7
137.05981	57.6
141.07027	2.1
142.07794	3.7
144.05733	3.6
147.11710	2.2
151.07533	6.6
155.08575	3.5
156.05649	2.1
157.10078	2.0
158.07362	1.9
159.08046	5.4
161.06010	11.2
161.09566	2.7
164.88843	1.9
165.07002	2.9
167.07028	9.5
169.06380	2.0
170.07411	2.5
171.08086	3.6
172.08853	4.4
175.07573	6.1
181.04953	8.1
181.06403	2.6
182.07312	6.0
183.08026	5.0
184.08759	3.3
185.05942	3.1
185.09636	6.4
187.07535	4.5
187.11261	3.3
189.12778	2.0
194.00188	2.0
195.06554	20.4
196.18863	1.9
197.09634	8.3
198.06792	11.6
199.07550	6.2
200.08434	2.9
201.09058	3.1
210.06818	3.1
211.07507	2.4
212.08376	3.3
213.09120	20.5
215.10686	6.1
225.09120	11.1
231.10078	2.4
243.10167	23.7
253.18114	2.5
255.10162	6.9
261.11221	4.3
273.11224	66.8
303.09988	2.1
321.11050	3.1
349.14352	4.6
354.14279	2.3
367.15604	3.8
397.16507	100.0
403.50433	2.1
415.13861	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2328
Annotation	Dendromoniliside A
Peak:m/z	Relative Intensity
53.03944	2.8
55.01880	1.9
55.05515	1.4
57.03437	5.7
57.07063	0.8
61.02928	7.3
64.04180	0.8
67.05511	14.0
69.03434	51.1
69.07066	3.8
71.04988	3.0
71.12652	0.8
71.58762	1.3
72.08145	0.9
73.02912	3.6
79.05496	5.7
79.27490	0.7
81.03423	9.7
81.07059	15.0
83.04986	3.2
85.02910	62.5
85.06546	12.4
86.09700	2.4
87.04480	4.3
91.03954	2.7
91.05468	4.4
93.07046	23.0
95.04990	1.6
95.08616	7.4
97.02901	19.7
97.06521	2.5
99.04479	4.2
105.07043	13.8
107.04943	3.7
107.08595	14.7
109.02885	8.2
109.06540	5.7
109.10152	3.6
111.08086	7.4
115.03975	0.8
117.07018	1.0
119.04930	2.3
119.08586	9.0
121.06506	2.9
121.10147	20.5
123.08080	5.5
123.11719	2.2
125.09621	4.2
127.03924	12.5
129.06973	1.0
131.08556	3.1
133.10133	14.6
135.08064	9.1
135.11673	1.9
137.06003	1.6
143.08577	2.3
145.04964	12.2
145.10138	1.6
147.08049	1.9
147.11703	4.1
149.09607	1.6
149.13335	1.8
151.11226	1.8
155.10631	1.4
157.10123	3.0
159.11713	7.9
161.08449	0.9
161.09583	3.8
161.13275	1.4
163.03926	3.4
163.06020	1.3
163.14793	1.2
167.06987	1.2
171.11694	2.4
173.05917	0.8
173.13278	2.7
175.11189	2.6
175.14857	5.1
177.05437	1.1
177.11201	1.3
177.12759	25.1
187.14845	3.1
189.12759	3.7
189.16414	4.7
199.14851	4.9
205.15906	9.7
217.15887	29.5
235.16940	100.0
236.17213	1.0
252.67235	0.9
253.17998	43.8
283.06012	1.6
379.21088	1.0
397.17346	0.9
397.21881	1.6
415.18494	1.5
415.23315	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	415.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.1
55.01863	2.3
55.05508	2.1
57.03439	6.3
59.05004	1.1
61.02927	7.2
65.03945	1.1
65.35290	0.8
66.44006	0.8
67.05211	0.9
67.05508	9.7
69.03432	50.6
69.07054	3.6
70.06607	1.4
71.04987	5.2
71.59193	1.0
73.02905	3.5
79.05493	7.1
81.03419	8.3
81.07061	17.4
83.04980	3.1
85.02908	61.6
85.06542	11.4
86.09702	3.1
87.04479	4.9
91.03951	3.0
91.05473	8.6
93.07046	22.0
95.04949	2.9
95.08614	8.6
97.02892	19.9
97.06510	2.7
98.97569	1.0
99.04462	4.2
101.02387	1.0
105.07036	14.8
107.04946	3.3
107.08595	19.7
109.02892	8.3
109.06536	5.4
109.10171	4.8
111.08086	11.1
115.03904	1.1
117.06967	1.7
119.04926	2.6
119.07780	1.5
119.08585	13.6
120.04227	0.8
121.02905	2.8
121.06483	4.6
121.10150	21.1
123.08082	7.9
123.11671	2.1
125.09643	4.4
127.03916	13.2
131.04878	0.8
131.08588	2.1
133.02846	1.3
133.06558	1.9
133.10135	18.3
135.08073	9.4
135.11691	2.4
137.06035	4.2
137.09618	1.6
139.11107	1.0
142.07819	1.1
143.08562	2.1
145.02959	0.9
145.04970	14.3
145.10124	2.8
147.04419	1.1
147.08015	2.6
147.11708	5.1
147.36896	0.8
149.09627	2.6
151.11148	2.4
157.10138	4.1
159.11711	7.7
161.09663	4.3
161.13281	2.1
163.03940	1.4
163.14906	1.4
165.01837	2.4
165.12733	1.4
167.07056	2.5
171.11707	2.3
173.13231	2.4
175.11153	3.6
175.14778	4.3
175.47314	1.0
177.05515	1.1
177.12747	24.6
181.04965	2.0
187.11139	0.9
187.14828	3.4
189.12735	5.6
189.14268	0.9
189.16348	5.3
195.06435	1.1
199.14795	5.4
205.15913	8.5
217.15889	37.8
235.16936	100.0
236.17221	1.5
253.18015	38.9
281.08066	1.2
283.06000	17.1
295.06058	2.1
295.09418	0.9
309.07452	5.7
313.06876	1.4
321.07468	1.0
323.09213	1.7
337.07111	8.8
339.18176	0.9
349.07123	2.4
361.07080	1.3
367.08142	4.8
379.08026	4.1
379.20868	1.6
397.09161	3.7
397.16754	1.5
397.22256	2.3
415.10123	7.1
415.18652	1.8
415.20050	1.4
415.23694	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	415.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
57.07054	0.7
59.32331	0.5
67.05497	2.5
69.07056	1.5
69.19624	0.5
71.04989	2.0
71.08616	0.5
71.57243	0.9
79.05486	2.3
81.07081	3.3
83.08656	0.6
84.08140	0.8
90.16863	0.5
91.05486	12.8
92.05814	1.8
93.07041	11.1
95.04980	1.8
95.08615	2.7
97.06522	0.7
98.98483	0.8
103.05470	6.6
105.04543	0.9
105.07021	2.1
107.08595	2.1
108.08118	0.9
109.10167	1.1
112.11245	1.9
117.07037	0.9
119.08592	7.3
121.06512	100.0
121.10143	1.6
122.06851	1.4
123.11614	0.6
131.08516	0.7
133.06491	1.0
133.10094	1.4
135.08104	0.8
135.11731	1.5
142.96107	0.6
147.11758	1.2
149.13261	1.1
155.01035	1.3
165.12888	0.6
195.13779	0.6
236.09193	0.9
244.74098	0.6
261.22128	1.3
277.21738	1.0
324.66992	0.9
397.29630	0.7
397.69095	0.6
415.30444	1.5
421.01834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3212
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
55.05512	3.2
56.96589	1.9
57.03414	1.5
57.07068	2.7
67.05509	8.2
69.03426	4.4
69.07072	8.1
71.40945	1.4
72.32988	1.4
79.05495	6.6
81.07058	17.7
83.04954	2.0
83.08614	2.8
91.05474	7.2
93.07053	20.4
95.04962	3.3
95.08614	52.7
95.29707	1.4
105.07037	14.8
107.08601	26.9
109.10171	21.4
109.21043	1.6
111.08101	1.5
111.11687	1.7
114.43269	1.6
117.07014	2.9
117.80027	1.5
119.08588	56.9
121.06520	8.6
121.10150	17.1
123.08056	1.7
123.11736	8.3
131.08577	4.6
133.10130	14.8
135.08081	4.6
135.11722	22.1
137.09686	2.3
137.13322	3.3
145.10141	6.7
147.08066	3.6
147.11691	14.4
149.09633	1.9
149.13281	7.7
151.11275	1.5
155.10632	2.1
157.10156	3.2
159.11720	10.2
161.09665	4.6
161.13255	18.9
163.14836	4.4
171.11766	1.8
173.13266	8.6
173.25522	1.4
175.11223	3.4
175.14868	3.1
177.12758	3.3
177.16429	2.7
179.01952	1.6
179.14340	3.1
185.13286	2.9
187.11182	1.9
187.14839	8.8
189.12801	5.4
189.16475	2.9
191.14392	1.5
191.18062	4.0
201.16431	4.2
203.14360	1.8
203.17892	3.4
207.13823	4.5
215.18050	1.7
217.41141	1.6
243.21109	80.3
261.22159	14.9
325.25464	4.7
379.30103	3.6
397.31195	13.5
401.27341	1.5
415.32135	100.0
416.32498	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3211
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
53.03966	2.4
55.05506	11.7
57.07075	3.5
67.05515	19.3
67.82250	2.1
69.03421	2.6
69.07072	14.1
71.04986	3.1
79.05502	13.8
81.07062	44.1
83.04986	2.4
83.08622	8.6
91.05462	21.5
93.07047	40.3
95.04986	2.9
95.08611	95.4
97.06541	4.5
97.10184	3.4
98.21550	4.4
99.04479	3.0
105.07040	36.0
107.08602	58.9
109.06501	5.8
109.10155	51.8
111.08102	3.4
113.06020	3.7
117.07006	3.4
119.08584	83.6
121.06528	4.5
121.10152	54.6
123.08029	3.0
123.11720	19.0
125.06043	2.5
131.08571	11.1
133.10126	31.8
135.11702	36.8
137.05974	3.4
137.13257	7.7
142.07796	2.8
143.08572	3.3
145.10121	17.4
147.08052	5.1
147.11703	39.9
149.13269	21.1
157.10114	7.5
159.11736	16.6
161.09616	10.0
161.13260	34.0
163.11166	5.9
163.14798	20.4
167.10724	2.3
171.11684	4.8
173.13254	7.8
175.11212	7.3
175.14868	10.4
177.05440	3.1
177.16414	6.1
179.10683	4.7
179.14258	4.6
187.11266	2.6
187.14798	6.2
189.12827	6.0
189.16368	18.1
191.17950	100.0
193.12276	8.4
197.13336	2.9
199.14720	2.3
201.16383	9.8
203.17987	29.4
205.12239	4.3
205.19617	3.4
207.13753	6.3
213.16396	2.4
215.17932	4.3
217.16003	4.3
217.19525	15.0
219.17453	3.4
229.19453	3.8
233.15465	2.6
269.03238	2.5
287.19894	3.1
351.30029	2.5
361.28647	3.0
379.30023	14.5
397.31009	89.0
415.31927	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3211
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
52.32364	3.5
55.05500	12.0
57.07079	4.2
63.63406	2.9
67.05493	13.8
69.03433	2.9
69.07078	21.5
71.04996	18.3
71.57760	5.0
79.05492	19.5
81.07059	40.6
83.00568	3.4
83.04980	12.8
83.08619	5.5
84.08138	4.8
85.06509	4.7
91.05480	25.8
93.07049	43.4
95.04974	6.8
95.08617	42.5
97.06539	8.3
98.98462	4.6
99.08095	8.7
105.04563	3.5
105.07039	37.8
107.04951	4.1
107.08600	35.9
109.10168	38.4
111.11727	6.2
112.11234	10.7
117.07023	10.3
119.07784	6.8
119.08587	77.6
121.06508	29.8
121.10139	29.6
123.08085	13.1
123.11692	12.2
127.11202	29.2
129.07034	7.1
131.08571	27.0
133.10132	44.8
135.08038	4.9
135.11703	33.9
136.19966	3.9
137.09631	3.8
142.07762	3.7
143.08556	9.2
145.10133	26.3
147.08023	5.1
147.11688	29.0
149.09621	14.4
149.13283	8.9
153.12764	6.1
155.01031	8.1
155.08510	5.6
157.10147	25.0
159.11717	30.9
161.09624	11.5
161.13228	15.0
163.11232	5.6
163.14764	4.5
169.10133	7.4
171.11653	18.3
173.09654	6.8
173.13292	18.1
175.11206	22.6
175.14862	7.9
177.12755	9.4
181.10152	4.0
183.11807	10.7
185.13237	10.2
187.14807	12.6
189.12740	12.5
189.16344	5.1
197.13239	8.1
199.14862	8.1
201.16396	12.3
203.17970	6.6
209.13263	4.7
211.14847	8.4
213.16315	5.1
215.14313	5.8
217.15907	6.6
225.16458	5.0
229.15941	10.2
236.09183	4.5
237.16537	4.9
243.17506	3.6
243.20918	4.2
248.62514	4.8
257.18896	3.2
261.22131	8.0
269.19110	8.7
271.16919	7.1
285.18542	43.3
285.21613	6.4
287.20096	15.4
293.22760	5.0
295.20395	4.1
299.20364	3.5
299.23639	7.2
311.23849	11.3
324.66742	9.2
339.26648	5.2
361.28647	5.7
369.31711	4.9
379.29990	47.5
397.31064	100.0
398.31451	4.1
415.32187	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
53.45811	0.2
58.72814	0.2
64.12075	0.2
65.75802	0.2
71.13747	0.4
73.02914	0.3
76.58704	0.2
91.05501	1.0
93.07048	1.3
95.04987	0.4
103.05461	0.9
104.05017	0.3
105.04517	0.2
105.05803	0.2
120.08113	0.6
121.06519	10.9
122.06062	0.8
127.81644	0.2
130.95210	0.2
132.04442	0.6
134.06070	0.3
150.05540	1.4
156.78740	0.2
164.07085	25.0
165.07405	0.4
190.08696	0.6
191.09473	0.6
222.05992	0.2
222.07634	8.1
236.09192	100.0
237.09705	1.2
238.10773	0.7
248.62740	0.2
296.11197	0.5
298.06335	0.2
325.67596	0.3
342.13397	9.0
374.16232	0.4
440.39053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
56.56443	0.4
56.96566	0.9
65.99071	0.4
67.05510	0.5
69.07039	0.5
70.92251	1.0
70.92595	0.5
73.02904	0.8
75.23653	0.4
81.07052	0.6
83.20481	0.4
84.08144	0.5
90.86194	0.4
91.05481	3.4
93.07057	4.1
94.07327	0.5
95.04965	1.2
97.02927	0.5
98.00426	0.4
98.20884	0.4
103.05470	3.2
105.04549	0.5
105.07057	0.9
112.11249	0.7
119.08587	0.5
120.08118	0.5
121.06516	31.0
122.06025	1.0
122.06840	4.2
123.07095	0.7
128.56367	0.4
132.04408	0.4
133.10115	0.5
138.05467	0.6
143.04738	0.5
150.05511	2.5
164.07085	23.2
166.08641	1.4
180.06612	0.7
185.01076	0.4
194.08157	4.8
209.06372	0.5
222.07639	7.8
236.09189	100.0
237.09644	0.9
238.10844	0.5
252.08665	1.8
253.09071	2.6
254.04880	1.3
254.09143	3.7
280.15497	0.8
296.10812	0.6
297.02930	0.7
339.04254	0.8
342.13376	9.7
357.04855	0.6
374.10541	1.1
374.15103	2.5
384.11603	1.1
385.12723	2.5
416.13980	10.7
416.20557	2.9
417.15338	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	416.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	0.4
69.07067	0.7
70.02996	1.2
78.54322	0.3
79.05521	0.4
81.07044	0.7
81.57395	0.3
87.04471	7.8
91.05483	1.6
93.07040	2.1
98.20781	0.3
103.05492	1.6
105.07059	0.4
107.24978	0.3
112.11263	0.4
117.05688	0.4
121.06516	14.3
122.06057	0.4
123.11700	0.4
132.04536	0.4
149.56419	0.3
150.05515	9.4
151.11108	0.4
164.07095	2.9
176.07106	0.7
177.07811	3.2
178.08626	0.4
179.25697	0.3
204.06566	2.7
222.05594	0.6
222.07613	6.2
236.09183	100.0
237.09651	1.6
238.10783	0.6
277.37949	0.3
296.11343	0.5
342.13336	6.1
356.14981	1.7
374.15952	0.5
384.11197	0.8
416.13721	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	416.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52995	2.3
58.73879	1.9
69.03419	4.7
70.98531	2.5
72.08169	14.9
73.08507	3.4
81.03403	2.2
81.07034	3.1
85.94987	2.1
91.05502	7.1
93.07035	2.9
107.08607	10.9
109.06513	3.9
109.10162	5.1
111.45809	2.4
117.07035	2.3
119.05024	3.0
121.06532	10.6
121.10125	6.7
133.10143	100.0
135.08052	8.4
137.09624	55.4
137.10587	4.2
145.76193	2.1
149.13252	8.3
164.07092	5.3
173.13283	5.5
173.45447	2.2
191.14331	82.4
209.15378	31.9
235.14503	3.2
236.09256	20.6
236.14775	2.7
416.21863	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	416.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52995	2.3
58.73879	1.9
69.03419	4.7
70.98531	2.5
72.08169	14.9
73.08507	3.4
81.03403	2.2
81.07034	3.1
85.94987	2.1
91.05502	7.1
93.07035	2.9
107.08607	10.9
109.06513	3.9
109.10162	5.1
111.45809	2.4
117.07035	2.3
119.05024	3.0
121.06532	10.6
121.10125	6.7
133.10143	100.0
135.08052	8.4
137.09624	55.4
137.10587	4.2
145.76193	2.1
149.13252	8.3
164.07092	5.3
173.13283	5.5
173.45447	2.2
191.14331	82.4
209.15378	31.9
235.14503	3.2
236.09256	20.6
236.14775	2.7
416.21863	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48144	0.3
52.89723	0.3
70.69078	0.6
70.69409	0.9
93.36752	0.4
100.16737	0.4
121.06544	2.5
143.04633	1.2
165.07454	0.4
172.56264	0.4
188.45155	0.5
194.08098	2.1
195.08508	2.0
203.04129	0.4
214.60559	0.4
233.04071	0.6
236.09200	3.3
237.07405	0.7
237.09544	4.4
265.06958	2.0
325.10437	1.6
343.13690	0.7
353.09967	3.7
357.13104	19.6
358.13629	0.5
385.12592	54.3
386.12967	1.4
417.15222	100.0
418.15497	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62641	0.4
55.05516	0.5
69.07051	0.6
70.84790	1.0
77.99151	0.4
81.07043	0.7
84.30817	0.5
91.05488	0.7
93.06989	0.5
115.03823	0.5
121.06502	2.7
135.96663	0.4
143.04651	1.3
157.53284	0.5
163.35585	0.5
164.07158	0.7
165.07449	1.1
175.53583	0.4
180.06610	1.7
222.07599	1.1
233.04213	0.9
236.09222	1.8
237.09563	2.3
265.06891	1.2
279.08340	0.6
297.09476	0.6
325.10544	1.0
353.09949	4.5
357.13123	15.5
385.12607	51.9
386.12787	1.2
417.15228	100.0
418.15463	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1523
Annotation	Halopemide
Peak:m/z	Relative Intensity
71.57092	0.7
77.36826	0.4
79.05476	0.6
84.08139	0.4
91.05473	0.6
93.07043	1.2
94.87335	0.3
103.05486	0.7
105.07100	0.4
107.08555	0.6
112.11202	0.4
119.12595	0.4
121.06525	2.5
143.04741	0.9
164.07118	0.8
170.43840	0.5
178.08783	0.5
236.09192	1.2
237.09589	2.1
265.06903	1.4
279.08420	0.5
297.09357	0.6
315.08295	0.9
343.13834	0.4
385.12585	24.6
410.72916	0.5
416.72519	0.6
417.15231	100.0
418.15405	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66933	0.4
65.04704	0.4
66.00804	0.4
71.56531	0.5
71.56902	0.6
73.01903	0.4
91.05502	1.1
93.07046	1.4
103.05470	0.8
121.06517	6.0
122.06856	1.6
143.04675	1.2
164.07144	0.6
173.81485	0.4
180.06653	0.5
194.08099	2.4
195.08495	2.7
236.09128	3.4
237.09547	4.5
255.09364	0.6
265.06915	1.6
284.25061	0.4
297.09528	0.6
315.08530	1.2
343.14005	0.7
375.11533	0.4
385.12601	42.1
386.12897	1.0
417.15228	100.0
418.15543	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01876	0.6
65.03919	1.9
67.05487	1.3
69.03413	0.7
69.63582	0.9
69.63995	1.9
76.10939	0.4
77.03927	0.5
78.04703	2.3
79.05494	3.2
81.03426	0.5
81.07033	0.8
82.04197	1.0
85.02899	2.3
91.05470	1.6
93.03409	0.9
93.07014	0.5
95.04955	1.6
97.02921	0.4
97.06519	0.7
99.87988	0.3
103.05476	5.8
105.03402	0.4
105.07033	1.0
106.04149	1.4
107.04287	0.5
107.04952	5.2
108.02113	0.5
110.03642	1.3
113.29295	0.4
115.05443	3.8
117.07027	4.8
118.04160	1.3
119.04914	0.6
121.06508	1.4
122.03719	0.4
123.04427	6.0
124.05217	3.0
125.05957	1.0
127.05458	0.6
130.04126	0.7
131.04926	4.1
132.05737	0.6
133.02885	0.7
133.06485	0.7
134.03654	0.5
135.04446	0.5
137.05983	1.2
138.03122	0.9
139.50467	0.4
142.02585	0.9
143.04939	0.6
144.05690	0.4
145.06497	8.1
147.08035	0.6
148.05222	3.0
149.05959	0.5
151.03914	1.1
152.04649	2.1
153.05458	1.4
155.06027	3.1
156.05669	0.5
159.11725	0.5
161.06046	0.7
163.07533	4.8
165.05482	0.7
167.07043	100.0
168.07346	0.8
171.06526	1.2
173.06000	15.8
175.07561	0.7
176.04665	0.6
181.04962	46.6
182.05295	0.7
187.07504	0.5
191.07034	16.7
193.08572	0.6
195.06490	1.1
201.05441	0.7
203.07074	0.5
205.08582	3.7
207.06525	0.6
207.10054	0.7
217.08533	1.1
219.10168	0.9
221.08003	0.7
233.08075	6.9
235.07509	0.7
235.09654	3.2
255.10155	0.4
263.09146	1.2
283.09555	0.5
285.20358	0.6
323.08926	0.6
323.98752	0.4
325.10721	0.5
329.10260	2.4
339.12598	0.5
355.11575	0.6
367.11823	0.6
381.13214	0.7
385.12640	1.0
387.14395	13.8
399.14505	1.1
417.15445	42.2
417.27686	2.8
418.15787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
51.12157	0.6
53.03940	0.9
55.01864	0.5
55.05500	0.5
65.03960	2.1
67.05494	1.1
69.03415	0.9
71.31121	0.6
71.31451	0.6
78.04709	2.4
79.05489	3.0
81.03433	0.6
81.07063	1.3
82.04176	0.7
85.02897	1.8
91.05471	2.0
93.07026	0.8
95.04955	1.6
97.06509	1.1
103.05504	3.4
105.07024	1.0
105.48679	0.4
106.04179	1.7
107.04961	7.0
109.06516	0.5
110.03644	1.6
115.05454	3.0
117.07027	5.2
118.04137	0.8
119.08528	0.5
121.06527	1.0
123.04436	6.0
124.05226	2.7
125.06008	1.1
127.05401	0.5
130.04190	0.5
131.04968	2.4
133.02800	0.5
133.06447	0.8
134.03622	0.5
135.04359	0.4
137.05977	0.9
138.03119	0.9
142.02547	1.1
143.04927	0.6
144.05751	0.8
145.06494	7.7
147.04346	0.6
147.07994	0.7
148.05203	1.3
151.03914	1.6
152.04675	2.3
153.05441	1.2
155.06056	3.3
157.06491	0.8
159.08084	0.5
161.06006	0.6
162.12688	0.4
163.07544	2.0
166.02640	0.5
167.07050	100.0
168.07387	1.0
171.06566	1.5
173.06000	14.6
175.07564	0.9
181.04968	41.1
182.05330	0.7
187.07494	0.7
191.07045	8.5
195.06549	1.5
201.05496	1.1
205.08617	3.7
217.08589	1.2
218.05757	0.7
219.17599	0.5
221.08025	0.5
233.08084	9.9
235.09714	3.2
263.09195	1.7
265.08597	0.5
325.10782	0.6
329.10251	0.8
355.11929	0.5
357.13058	0.7
362.93622	0.4
367.12149	0.5
369.13272	0.6
371.15173	0.5
381.13312	1.7
387.09381	0.8
387.14401	15.2
399.14355	2.1
417.15454	34.6
418.15411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03935	1.4
55.01859	1.0
65.03929	2.3
67.05483	1.8
69.03409	0.5
69.20166	5.5
77.03910	0.9
78.04712	2.5
79.05499	3.0
81.03414	0.8
81.07014	1.1
82.04189	1.3
85.02888	1.7
89.03925	3.2
91.05503	2.5
93.03399	0.8
93.52602	0.5
94.04169	0.6
95.04961	1.1
97.06504	0.7
103.05461	6.6
105.03405	0.6
105.07020	1.5
106.04186	2.5
107.04964	4.2
109.10124	0.7
110.03638	1.4
111.04421	0.6
115.05468	2.7
115.06167	0.5
117.03387	10.0
117.07021	5.7
118.04161	1.9
119.04910	0.9
119.08609	0.6
121.02835	1.9
121.06520	0.8
122.03585	0.5
123.04424	7.7
124.05189	1.9
125.05970	1.2
127.05421	0.8
130.04147	0.6
131.04935	5.8
133.06490	1.0
133.10132	1.2
134.03638	1.2
135.04382	0.7
137.05957	1.4
138.03107	0.8
142.02669	1.0
143.05000	0.8
144.05641	0.8
145.02863	23.0
145.06496	8.0
147.08022	1.1
148.05186	4.1
149.02357	0.7
149.05954	3.1
151.03925	1.2
152.04666	1.7
153.05455	1.2
155.06036	3.6
161.05977	0.8
163.07579	5.2
163.21689	0.7
167.07047	100.0
168.07426	1.0
171.06537	1.0
173.05989	14.0
175.07530	1.2
176.04675	0.8
177.05473	39.4
181.04964	48.6
191.07034	21.9
195.06528	0.7
205.08580	3.8
207.10143	0.5
217.08623	1.2
219.10210	1.5
219.17447	0.7
233.08089	7.5
235.09656	4.3
237.18542	0.6
238.07056	0.9
239.07394	1.2
251.07083	0.6
263.09189	1.6
329.10086	0.9
343.07956	0.6
357.09555	1.3
357.13379	0.9
387.14392	12.6
399.14362	1.8
417.15491	34.3
418.15952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1548
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03939	1.0
55.01867	0.7
63.09263	0.4
65.03939	3.5
67.05499	1.4
69.03417	0.5
69.07077	0.5
69.63583	2.4
78.04723	2.4
79.05501	4.2
81.03433	0.8
81.07053	1.3
82.04210	1.2
85.02907	2.0
91.05482	2.6
93.03395	1.2
93.07028	0.8
95.04969	1.6
95.08595	0.5
96.36995	0.4
97.06531	1.4
103.05481	5.3
105.03352	0.5
105.07039	2.2
106.04191	1.2
107.04962	8.1
107.08602	0.6
108.02116	0.5
110.03655	1.0
111.04407	0.5
115.05447	2.8
117.07021	4.9
118.04172	1.0
119.04963	0.6
121.06515	1.0
122.03611	0.5
123.04436	6.0
124.05215	3.5
125.05988	1.7
127.05441	0.7
129.06995	0.6
131.04919	4.1
133.02878	0.8
133.06468	0.9
133.10123	1.2
134.03671	0.5
135.08049	0.5
137.05972	2.0
138.03073	0.8
142.02617	1.2
143.10672	0.6
144.05725	0.8
145.06514	7.0
145.10100	0.6
147.07991	0.5
148.05190	2.9
149.05974	0.5
151.03908	1.3
151.07567	0.5
152.04703	1.8
153.05444	1.8
155.06036	3.2
157.06619	0.5
159.07977	0.6
163.07526	3.9
165.05453	0.7
167.07051	100.0
168.07376	0.6
171.06572	1.6
173.05994	14.8
175.07523	1.0
176.04704	0.8
180.06552	0.9
181.04973	51.0
187.07529	0.7
191.07033	16.9
191.08786	0.8
193.08484	0.6
195.06557	2.0
201.05504	0.8
201.16341	0.8
205.08635	3.2
217.08698	1.3
219.10118	1.2
219.17458	1.2
220.24393	0.4
233.08115	7.0
235.09639	3.8
237.18428	0.6
245.08212	0.6
263.09161	1.2
271.06024	0.6
307.09744	0.8
325.10724	0.8
329.10294	1.2
351.08862	0.6
357.13300	0.5
366.11060	0.5
371.15158	0.7
381.13428	1.2
385.12921	0.6
387.14410	13.4
399.14304	3.1
399.25168	0.5
417.11057	6.1
417.15485	32.4
418.15546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.31993	0.3
53.03951	0.9
55.01861	0.8
55.05511	0.6
65.03945	2.7
67.05511	1.7
69.03431	0.8
69.07050	0.4
70.31544	0.4
77.46455	0.3
78.04716	2.7
79.05500	2.7
81.07066	0.8
82.04196	1.1
85.02902	1.6
91.05464	1.7
93.03412	1.1
93.07032	0.6
95.04975	1.3
97.06519	0.8
98.20775	0.8
100.11266	0.8
103.05472	5.2
105.03377	0.5
105.07037	1.3
106.04186	1.5
106.41783	0.4
107.04957	5.6
108.02103	0.7
109.02875	0.4
110.03653	1.4
115.05463	3.7
117.07025	5.1
118.04164	0.9
119.08585	0.5
121.06532	1.3
123.04433	7.4
124.05207	3.0
125.05997	1.1
126.14510	0.4
127.05452	1.2
129.07014	0.5
130.04138	0.4
131.04936	2.8
132.05693	0.6
133.02834	0.6
133.06497	1.0
134.03650	0.7
137.05992	1.4
138.03107	0.7
142.02629	0.8
143.04956	0.6
144.05675	0.4
145.06493	8.1
148.05176	2.4
149.05913	0.5
151.03914	1.1
152.04681	2.0
153.05447	0.9
155.04930	0.6
155.06050	2.9
161.05968	0.7
163.07545	2.9
167.07048	100.0
168.07439	0.9
171.06572	1.4
173.06000	13.4
175.07591	0.4
176.04672	0.4
181.04964	41.3
182.05287	0.6
187.07556	0.9
189.22189	0.4
191.07043	12.2
195.06555	1.1
201.05511	0.9
205.08607	3.2
207.06577	0.5
207.10077	0.6
209.07985	0.6
217.08618	0.9
219.10135	0.6
221.08096	0.5
233.08101	6.8
235.09665	3.8
238.07161	0.4
241.08620	0.7
263.09244	0.8
279.06485	0.4
281.08426	0.6
286.08322	0.4
329.10269	1.8
339.12115	0.4
344.12747	0.5
357.13297	0.6
371.14880	0.5
381.13220	0.9
385.12784	0.8
387.14389	13.3
399.14441	1.4
417.15448	35.8
418.15912	0.5
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	Comazaphilone C
Peak:m/z	Relative Intensity
53.03935	1.1
55.01874	0.9
57.03435	1.1
65.03947	1.3
67.05504	1.4
69.03416	1.7
69.07053	0.7
70.06571	0.8
71.04976	0.8
71.20681	0.5
71.59071	0.6
73.02923	1.6
78.04743	2.5
79.05499	2.7
81.03424	0.9
81.07056	1.1
83.04989	0.6
84.08141	0.6
84.33097	0.5
85.02905	4.9
86.09691	2.8
87.73948	0.5
89.03951	0.6
91.05491	2.8
93.07015	1.3
95.04964	1.5
95.08572	0.8
97.02891	2.4
97.06516	0.9
98.97573	1.2
101.95467	0.5
103.05482	1.2
105.07034	2.2
106.04161	1.5
107.04962	2.0
107.08607	1.1
109.02821	0.6
109.10133	0.8
110.03711	0.6
115.03910	1.2
115.05444	2.6
117.03383	1.0
117.07029	5.0
119.08583	1.2
121.06541	0.9
121.10113	2.4
123.04446	6.7
124.05233	2.5
125.05967	0.6
127.03930	0.8
127.05431	0.9
128.98581	0.7
131.04919	1.0
133.05020	0.6
133.10204	1.1
135.04430	0.7
137.02373	0.6
137.06015	3.2
138.38483	0.5
139.03883	1.1
140.48668	0.6
142.02606	0.7
143.10730	0.5
145.02832	1.2
145.04971	1.2
145.06485	8.9
145.10130	1.0
147.04398	0.8
149.06023	0.8
149.09659	1.0
151.03893	2.1
151.11172	0.6
152.04681	2.2
153.05476	0.7
155.06044	3.9
159.11710	1.0
161.05908	0.8
163.03868	0.5
165.05473	0.6
167.07048	100.0
168.07416	0.6
173.05992	16.4
175.07535	0.9
177.05464	3.9
181.04967	21.1
191.06998	1.1
195.06514	0.7
201.05478	0.8
201.16353	1.5
205.08604	3.0
219.17461	3.1
225.07433	0.6
233.08122	8.0
235.09686	3.4
237.18420	0.7
255.19565	0.8
267.26880	0.6
281.08511	2.3
298.02554	0.5
302.29172	0.5
304.47028	0.6
323.08563	0.6
331.82172	0.5
387.14417	14.3
415.09018	1.0
417.15479	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	417.1732
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
50.75463	0.3
53.03932	0.3
56.15650	0.3
63.11320	0.3
64.75372	0.3
69.21205	2.2
69.21629	1.2
71.04988	0.7
78.04715	0.3
79.05496	0.8
80.28367	0.3
81.07043	0.8
85.02894	0.7
86.09719	0.3
91.05470	1.1
93.07040	0.8
95.08611	0.6
103.81184	0.3
105.07030	1.2
107.04975	0.4
107.08604	0.6
108.16285	0.3
109.10149	0.4
117.07009	0.9
119.08577	0.9
121.06445	0.3
122.49276	0.3
123.04454	0.8
125.09624	0.4
127.11214	0.4
131.08595	0.5
133.10152	1.7
137.05977	0.7
137.09607	0.4
143.10738	0.4
145.06511	0.7
145.10124	0.8
147.55470	0.4
167.07062	6.2
173.06032	0.9
181.04950	2.8
190.54628	0.3
205.08568	0.4
219.17509	1.4
233.08109	1.1
237.18512	1.1
255.19557	0.9
285.13229	0.8
387.14255	0.8
417.17340	100.0
418.17880	1.7
428.92786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01875	1.4
55.05506	5.4
57.01471	1.2
57.07074	1.7
59.05005	1.6
65.03934	3.7
67.05507	9.0
69.03424	3.9
69.07074	6.3
70.06592	1.5
71.04646	1.7
71.04996	18.6
71.57888	1.8
73.06556	3.0
78.04704	3.4
79.05498	14.4
81.03429	1.7
81.07062	22.9
82.04211	1.4
83.04969	1.8
83.08620	4.3
85.02908	6.4
85.06525	2.0
86.70631	1.3
91.05486	14.2
93.07053	14.9
95.04986	2.7
95.08057	1.3
95.08614	15.6
97.02904	3.7
97.06535	3.8
99.08099	6.7
101.07970	1.2
103.05457	5.6
105.07043	33.5
106.04156	1.6
107.04945	6.9
107.08604	16.9
109.06547	2.6
109.10169	14.6
110.03698	1.8
111.08092	1.8
112.68713	1.1
115.05464	3.6
117.07010	7.9
119.04969	1.7
119.08595	10.2
121.06483	2.2
121.10165	11.4
123.04433	10.1
123.11718	5.2
124.05206	3.7
125.09637	20.5
127.07597	3.2
127.11195	3.8
131.04933	3.0
131.08528	8.6
132.42542	1.2
133.10146	63.6
135.11710	2.5
137.06003	7.5
137.09511	1.7
139.11191	1.5
140.57779	1.2
143.10684	20.1
145.06467	7.8
145.10153	9.1
147.11690	12.5
148.05260	2.3
149.13264	14.3
151.03868	1.6
151.11169	3.8
152.04684	2.9
155.06049	4.1
156.05737	1.6
159.11700	8.3
161.13332	3.1
163.07555	5.2
166.04973	1.4
167.07054	100.0
167.14326	32.4
169.12257	2.4
171.06575	1.4
173.06012	13.0
173.13277	1.7
175.07458	1.7
180.06543	14.0
181.04974	48.1
187.07532	1.3
191.07028	12.2
195.06537	1.4
201.05307	1.2
201.16364	9.7
202.06284	1.2
203.07069	1.6
205.08563	3.1
219.17458	31.9
222.07712	6.8
233.08105	7.9
235.09688	3.7
237.18523	7.1
280.03632	1.3
283.14417	1.3
344.11636	2.3
387.14395	12.9
417.11447	35.4
417.15604	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	417.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01875	1.4
55.05506	5.4
57.01471	1.2
57.07074	1.7
59.05005	1.6
65.03934	3.7
67.05507	9.0
69.03424	3.9
69.07074	6.3
70.06592	1.5
71.04646	1.7
71.04996	18.6
71.57888	1.8
73.06556	3.0
78.04704	3.4
79.05498	14.4
81.03429	1.7
81.07062	22.9
82.04211	1.4
83.04969	1.8
83.08620	4.3
85.02908	6.4
85.06525	2.0
86.70631	1.3
91.05486	14.2
93.07053	14.9
95.04986	2.7
95.08057	1.3
95.08614	15.6
97.02904	3.7
97.06535	3.8
99.08099	6.7
101.07970	1.2
103.05457	5.6
105.07043	33.5
106.04156	1.6
107.04945	6.9
107.08604	16.9
109.06547	2.6
109.10169	14.6
110.03698	1.8
111.08092	1.8
112.68713	1.1
115.05464	3.6
117.07010	7.9
119.04969	1.7
119.08595	10.2
121.06483	2.2
121.10165	11.4
123.04433	10.1
123.11718	5.2
124.05206	3.7
125.09637	20.5
127.07597	3.2
127.11195	3.8
131.04933	3.0
131.08528	8.6
132.42542	1.2
133.10146	63.6
135.11710	2.5
137.06003	7.5
137.09511	1.7
139.11191	1.5
140.57779	1.2
143.10684	20.1
145.06467	7.8
145.10153	9.1
147.11690	12.5
148.05260	2.3
149.13264	14.3
151.03868	1.6
151.11169	3.8
152.04684	2.9
155.06049	4.1
156.05737	1.6
159.11700	8.3
161.13332	3.1
163.07555	5.2
166.04973	1.4
167.07054	100.0
167.14326	32.4
169.12257	2.4
171.06575	1.4
173.06012	13.0
173.13277	1.7
175.07458	1.7
180.06543	14.0
181.04974	48.1
187.07532	1.3
191.07028	12.2
195.06537	1.4
201.05307	1.2
201.16364	9.7
202.06284	1.2
203.07069	1.6
205.08563	3.1
219.17458	31.9
222.07712	6.8
233.08105	7.9
235.09688	3.7
237.18523	7.1
280.03632	1.3
283.14417	1.3
344.11636	2.3
387.14395	12.9
417.11447	35.4
417.15604	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	417.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.9
55.05503	5.3
59.54615	1.3
65.03953	2.7
67.05499	5.4
69.03425	2.2
69.07051	5.2
71.04994	18.3
71.59337	1.8
73.06551	2.2
74.13197	1.3
77.37360	1.4
78.04694	3.7
79.05503	13.9
80.60590	1.4
81.07063	17.6
81.41003	1.4
83.08610	3.7
85.02905	4.4
85.06526	2.8
91.05483	12.4
93.07044	14.7
95.04939	2.0
95.08609	17.1
97.02895	1.3
97.06519	1.7
97.10156	1.9
99.08076	4.5
103.05453	5.8
105.07045	28.9
106.04172	1.9
107.04957	8.6
107.08604	12.0
107.54563	1.5
109.06544	1.8
109.10153	8.7
114.03057	1.5
115.05429	3.1
117.07008	7.5
119.08567	5.8
121.10117	6.6
121.67660	1.8
123.04407	6.0
123.11716	3.6
124.05212	3.1
125.05962	2.2
125.09636	15.7
127.07553	3.3
127.11164	2.8
130.99323	1.6
131.04945	3.9
131.08574	6.1
133.10146	47.4
137.05966	2.4
143.10703	14.2
145.06416	8.0
145.10100	6.5
147.11690	7.8
148.05243	3.6
149.13271	12.3
151.03899	1.7
151.11168	3.3
155.05988	3.1
159.11678	6.5
161.13185	3.4
163.07516	3.2
167.07054	100.0
167.14325	32.6
173.06013	14.4
181.04980	53.9
191.07045	14.4
201.05525	1.9
201.16374	6.1
205.08534	3.6
219.17438	27.4
233.08101	10.1
235.09727	2.3
237.18478	4.6
288.17593	1.8
307.09412	1.9
345.12936	1.4
367.11832	2.0
387.14450	11.2
399.14240	3.3
417.15543	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2979
Annotation	CHEBI:68421
Peak:m/z	Relative Intensity
61.34892	0.7
63.12884	0.7
67.05492	1.1
69.07056	0.9
69.90456	1.6
69.90846	2.1
73.12320	0.8
79.27633	0.8
81.07072	1.5
84.45360	0.8
87.04490	0.9
91.05410	0.9
93.07068	1.4
95.08628	1.4
109.10216	0.8
147.04485	0.9
147.86842	0.7
199.89043	0.9
216.50137	0.8
376.54208	1.0
389.29010	0.8
398.88266	0.8
417.29800	100.0
418.30106	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3365
Annotation	CHEBI:86115
Peak:m/z	Relative Intensity
51.08363	0.5
51.65277	0.5
55.01885	0.6
55.05521	2.7
57.07077	1.0
61.76146	0.6
67.05508	6.4
69.07076	3.2
69.23769	5.6
71.04994	1.4
72.81963	0.6
73.34209	0.6
79.05499	2.9
81.07067	7.6
83.04966	0.7
83.08628	1.8
85.06551	3.2
91.05472	3.7
91.23591	0.5
92.66494	0.6
93.07047	7.8
95.04971	4.2
95.08610	14.7
97.06547	1.1
97.10174	1.1
99.08094	0.7
105.07037	11.8
107.08597	12.2
109.06528	12.6
109.10163	8.1
111.08072	0.8
113.06014	23.1
117.07033	1.1
119.07796	0.9
119.08589	9.9
121.10158	12.8
123.08075	5.2
123.11669	3.3
125.09580	0.6
131.08594	3.3
133.10136	6.3
135.08022	0.7
135.11699	11.8
137.09596	0.8
137.13278	1.9
139.11133	0.6
141.09122	5.7
142.00520	0.5
143.08542	0.8
144.66232	0.6
145.10156	2.5
147.08127	0.7
147.11694	5.3
149.09676	0.6
149.13261	5.1
151.11247	1.4
157.10103	1.1
159.11729	4.0
161.13252	4.4
163.11188	0.6
163.14842	3.6
169.12245	10.4
171.11714	1.4
173.13251	4.3
175.14787	2.7
177.12770	2.0
177.16443	1.2
179.14394	0.7
183.11713	0.8
183.13692	0.7
185.13312	2.0
187.14825	2.9
189.16338	4.2
191.14388	1.2
191.17944	8.4
201.16371	1.8
203.18105	1.3
213.16405	0.8
215.17989	0.9
217.19557	2.5
227.17949	1.6
231.20941	0.7
253.19261	0.7
255.21170	0.8
259.20609	0.7
271.24307	2.3
286.61865	0.7
293.22714	0.8
297.72751	0.6
309.25784	3.1
327.26700	0.7
381.31485	3.5
399.32675	6.9
404.10251	0.7
417.33658	100.0
418.34048	2.5
420.69385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3365
Annotation	3beta,5beta-Ketodiol
Peak:m/z	Relative Intensity
55.01883	2.6
55.05506	14.4
57.03441	3.8
57.07069	5.3
59.04993	1.9
60.15076	1.6
63.40931	1.8
65.03920	2.1
67.05505	32.8
68.46902	1.7
69.07075	20.4
71.04988	2.4
71.08640	3.0
79.05484	15.8
81.07063	64.9
83.04995	3.0
83.08637	9.8
85.06544	4.4
88.62744	1.9
91.05473	15.9
93.07049	48.6
95.08609	100.0
97.06548	4.9
97.10177	5.8
98.21607	4.0
98.98459	24.4
99.04456	2.7
99.08058	3.2
101.06035	3.2
105.07015	27.0
107.08599	70.8
109.06490	2.6
109.09462	3.4
109.10162	46.6
111.08049	3.2
119.08583	35.1
121.06550	3.3
121.10147	62.3
123.08070	3.7
123.11716	22.0
131.08566	5.3
133.10124	33.5
135.08043	4.6
135.11696	68.5
137.13237	8.7
145.10100	9.5
147.04436	3.9
147.11671	30.7
149.09621	3.0
149.13268	27.1
151.14824	5.2
153.09158	3.0
155.01036	28.6
157.10158	2.5
159.11690	29.5
161.13248	18.3
163.11143	8.5
163.14809	24.7
165.12732	5.1
167.10724	1.8
173.13283	7.4
175.14841	10.6
177.12769	18.1
177.16373	5.6
179.14386	5.3
181.12299	5.6
189.12822	3.7
189.16386	14.2
191.14377	9.2
191.17961	60.0
195.13814	24.7
199.14835	2.8
201.16397	7.3
203.17949	22.5
205.19537	5.2
207.13841	7.3
207.17383	4.0
209.15402	13.5
213.12793	2.2
213.16399	1.8
215.10764	1.8
217.19502	12.0
219.17421	4.7
221.15573	2.1
229.13380	2.3
229.15677	2.0
235.16966	2.2
245.22597	6.7
263.20395	2.1
263.23730	11.9
275.20279	2.0
363.30447	2.3
381.31516	26.1
399.32617	57.0
399.37888	4.1
417.34125	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3365
Annotation	3beta,5beta-Ketodiol
Peak:m/z	Relative Intensity
53.03935	2.8
55.01865	3.0
55.05512	19.1
57.07063	5.3
59.05011	2.3
65.03930	1.7
67.05509	30.7
69.07073	19.3
79.05483	18.1
81.06588	3.3
81.07063	59.7
83.05002	2.8
83.08629	12.5
83.94182	1.5
85.06528	5.5
87.51897	1.7
91.05472	13.2
93.07047	53.7
95.04968	2.5
95.08614	100.0
97.06538	5.1
97.10164	6.2
98.98460	11.8
99.04457	5.4
101.05996	4.7
105.06383	2.6
105.07040	29.4
107.08599	75.8
109.06510	3.1
109.10159	50.3
111.08112	4.1
113.21164	2.0
117.06996	3.7
119.07799	3.1
119.08592	44.4
121.10148	64.8
123.08092	4.4
123.11704	23.0
125.09597	2.3
131.08566	6.9
133.10132	39.2
135.08032	6.6
135.11697	81.0
137.09622	2.9
137.13266	5.4
139.07492	2.4
143.08588	2.7
144.09338	3.8
145.10135	11.9
147.11687	34.6
149.13272	31.5
155.01044	15.0
157.10065	3.1
159.11693	32.0
161.13263	27.4
163.11191	7.9
163.14836	28.4
165.12764	5.3
165.16365	2.4
171.11757	2.1
173.13263	9.0
174.88622	1.7
175.14844	11.7
177.12769	18.8
177.16379	8.0
177.17812	1.7
179.14302	6.1
181.12238	6.6
185.13217	2.5
187.14795	4.8
187.87875	1.6
189.12692	3.0
189.16393	13.5
191.14345	9.9
191.16170	2.9
191.17952	58.8
193.12245	3.3
193.15874	1.8
195.13814	29.9
199.14896	4.1
201.16307	5.6
203.17972	26.4
205.19547	2.0
207.13817	10.8
207.17380	2.5
209.15344	14.9
211.14673	2.3
215.17979	3.2
217.19484	16.9
219.17500	4.2
235.16876	3.3
245.22670	3.9
249.18591	2.4
263.20370	1.7
263.23672	8.5
277.21594	2.6
291.06970	2.1
303.23035	2.9
363.30588	3.9
381.31497	32.2
399.32596	66.2
417.33682	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	417.373
Annotation	gamma-Tocopherol
Peak:m/z	Relative Intensity
52.28621	0.5
53.39835	0.5
55.01875	6.7
55.05506	0.9
57.07077	0.9
58.17215	0.4
66.31812	0.5
67.05493	0.5
69.07079	1.0
69.33619	0.5
70.33313	0.5
70.70719	0.7
71.78753	0.4
79.05489	0.7
81.07042	1.7
95.08593	1.8
97.02899	19.5
99.04444	1.2
105.07041	0.8
108.73969	0.4
109.06499	0.8
109.10152	1.0
115.03945	6.1
123.08043	0.9
131.08539	0.5
133.06482	0.8
133.10176	0.5
137.06050	0.5
151.07547	31.1
152.08347	0.5
165.09119	9.9
167.07144	0.7
169.08615	9.5
179.10684	3.7
192.10202	1.5
193.12231	3.1
198.94148	0.6
207.13821	1.9
221.15381	2.0
235.17079	1.3
249.18718	0.7
330.75153	0.5
417.37299	100.0
418.37787	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03621	0.5
53.03950	4.2
56.63235	0.6
66.00157	0.5
71.16386	0.9
77.03941	1.0
79.05492	0.8
81.03458	0.5
90.11292	0.5
91.05486	13.6
93.07051	18.7
95.04961	4.2
103.04802	0.9
103.05478	15.8
104.05024	0.6
105.04520	2.1
106.06548	0.7
107.04990	0.8
120.04514	0.8
121.06515	100.0
122.06824	1.2
132.04460	1.4
134.06041	3.0
144.04459	3.8
150.05444	0.7
152.07124	0.7
156.30441	0.5
160.03946	6.7
162.05518	12.2
164.07109	1.9
165.07530	0.6
166.08694	0.7
176.07076	2.9
178.05009	9.9
180.06613	1.2
181.07359	1.1
188.03444	0.9
192.06563	18.5
194.08147	52.5
195.08339	0.6
206.04582	1.9
206.08176	1.0
208.09738	0.7
220.06065	11.8
222.07584	1.0
236.09177	8.0
236.92574	0.8
237.09499	2.0
238.07190	13.1
238.09824	2.4
248.05502	0.9
254.10309	3.7
266.06693	0.9
277.88327	0.6
280.08191	41.3
298.09253	10.4
319.07837	0.6
418.14978	75.0
419.15237	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
58.61170	0.6
71.16489	0.7
71.16848	1.2
72.47593	0.6
77.03953	1.3
79.05508	1.0
81.03432	0.6
84.08167	0.6
91.05492	20.1
93.07052	18.3
95.04990	4.6
103.05477	14.8
104.04971	1.0
105.04523	1.9
105.07018	0.9
115.47623	0.6
117.05744	1.7
118.06512	1.0
119.04957	3.3
121.06517	76.6
122.06052	0.7
122.06863	1.3
130.06552	7.9
130.88232	0.5
131.07344	0.8
132.04456	0.9
137.05989	5.3
146.06015	2.8
146.09663	0.7
148.07550	1.1
149.02287	1.2
150.05444	0.9
160.07549	0.7
163.03932	1.8
172.03915	0.6
172.07576	1.6
174.05507	2.9
174.09128	2.3
176.07098	9.5
178.05009	1.3
178.08611	1.9
190.08638	1.7
191.09419	1.3
192.06635	0.6
200.06996	1.2
202.05003	7.7
204.06569	22.7
204.10233	4.7
206.08023	0.8
206.09944	1.0
206.11786	14.4
210.07524	0.6
218.08093	1.4
220.06071	9.1
220.09651	2.1
222.07570	2.9
230.04434	2.5
232.09773	2.8
234.05331	0.8
234.07645	15.3
236.09187	77.3
237.09447	0.9
238.14236	0.6
248.05600	4.7
248.09213	1.0
250.10764	12.5
254.10294	7.3
262.07153	11.2
266.06555	1.3
280.08182	70.7
281.08392	0.7
298.09094	2.3
386.15936	1.5
400.13635	1.6
418.14648	100.0
419.15125	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59472	0.6
51.02372	0.7
53.03964	3.5
63.41606	0.5
65.03921	0.9
66.84128	0.6
77.03924	1.0
79.05527	0.6
81.03402	0.6
81.75538	0.6
91.05488	13.2
93.07048	20.0
95.04964	3.1
98.20710	1.1
103.05474	15.7
104.05019	0.9
105.04507	1.3
106.06555	1.8
116.04955	0.7
121.06509	100.0
122.06847	1.2
132.04492	1.0
134.05995	3.5
144.04446	3.5
149.34811	0.5
150.05528	1.4
160.03949	7.9
162.05510	11.8
164.07082	1.4
165.07822	0.6
166.08594	0.8
176.07045	3.1
178.05006	9.6
180.06610	0.9
188.03398	1.1
192.06563	18.6
194.08138	53.2
195.08508	0.7
204.06473	0.6
206.04539	2.1
220.06042	12.9
222.07510	0.8
236.09177	7.3
237.09537	1.6
238.07150	13.8
238.10529	1.8
248.05367	0.7
254.10274	5.5
266.06427	1.2
280.08167	40.9
298.09232	10.8
314.13831	0.6
418.14948	77.4
419.15222	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.8
69.82985	1.3
81.07058	1.2
85.02891	0.7
91.05485	8.1
92.04985	0.7
93.07036	0.7
98.20844	0.6
103.05453	0.4
105.07047	0.6
107.08602	0.6
109.06524	0.3
109.74837	0.4
109.90591	0.3
119.04951	4.1
119.08607	0.7
120.04458	1.9
121.05237	0.5
121.10141	0.4
135.11696	0.4
137.05986	18.0
138.05464	0.5
147.11662	0.4
148.03928	2.0
151.06273	2.9
152.07077	4.9
161.41426	0.4
163.03870	0.4
163.14833	2.5
166.05022	11.7
167.07063	1.2
168.07413	0.9
177.05502	0.6
180.06561	100.0
181.04967	1.3
181.06868	0.8
182.05280	0.5
194.08130	0.5
198.09785	0.4
203.17961	1.1
208.06093	3.6
209.04277	0.5
221.19022	0.7
222.07622	64.2
223.07996	0.4
302.10184	1.1
323.90887	0.3
344.11334	11.0
376.13528	0.4
418.11749	1.1
418.16092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
51.46729	0.3
53.03952	1.9
58.23016	0.3
62.03402	0.3
65.03931	0.5
71.28900	0.6
77.03922	0.9
91.05487	8.8
93.07051	12.3
95.04979	2.2
96.26591	0.3
103.05474	9.4
105.04509	1.3
113.58187	0.3
116.04946	0.4
117.05798	0.8
118.06554	3.4
120.04454	0.7
121.06519	46.7
122.06877	0.5
134.09608	0.6
144.04474	3.0
144.08151	0.5
146.06026	14.3
160.07581	1.6
162.05501	2.2
162.09161	0.6
164.07097	0.6
172.03931	0.8
176.07066	1.9
178.08650	22.2
184.87733	0.3
188.07097	5.0
190.04921	0.6
190.08684	3.7
204.06548	1.3
206.08134	5.6
208.09700	0.6
216.06598	3.1
220.09709	18.6
222.11267	49.3
223.11661	0.3
234.07660	3.3
238.10709	0.5
248.09201	9.7
254.13921	3.2
256.62259	0.3
266.10260	62.9
267.10565	0.8
280.11838	2.7
298.12885	1.4
310.03625	0.3
386.15991	3.6
418.18637	100.0
419.18799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01862	1.4
55.05511	7.2
55.33643	0.7
56.05030	1.5
57.03432	0.9
58.02938	0.8
58.06607	5.6
59.46615	0.7
61.02925	0.9
66.61888	0.7
67.04244	1.6
67.05511	1.2
67.60309	0.8
68.05026	9.2
69.03437	7.2
70.06574	0.8
71.04982	0.8
71.55931	1.1
72.08174	4.7
73.06540	1.0
79.05484	1.6
80.05049	0.9
81.03421	5.2
82.06572	4.2
83.07368	27.5
85.02916	18.3
87.00814	3.2
91.05470	4.7
93.07040	1.2
95.04977	1.6
97.02904	6.2
99.04449	2.5
100.07624	100.0
105.01866	4.7
106.06547	2.6
107.04926	3.8
109.02905	5.7
111.04461	0.9
118.08664	14.8
119.04934	2.3
121.06520	15.5
123.04440	10.2
127.03928	12.1
135.04413	11.1
137.06000	16.2
145.04958	9.7
153.05487	8.1
159.02924	2.7
159.08083	0.9
165.05478	1.1
178.04854	0.9
179.06985	1.2
187.07539	4.9
199.17181	0.9
205.08614	2.8
229.08681	1.3
231.05038	2.7
247.09761	1.4
248.00409	0.8
256.08154	2.4
265.10632	1.1
285.32544	0.9
326.10217	0.9
332.65567	0.8
418.14874	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	418.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70465	1.7
54.12542	1.9
55.05510	4.6
56.96561	2.3
57.07077	2.7
67.05512	11.4
69.07071	3.9
69.40974	15.5
70.06621	2.4
71.05000	3.5
79.05495	7.6
81.07082	12.6
83.04985	2.6
83.06769	1.8
83.08626	3.9
88.07643	2.7
91.05489	100.0
93.07063	6.0
95.08613	6.0
97.06532	7.7
98.20707	3.2
98.98470	7.1
105.07083	3.7
107.08614	4.1
108.84295	2.3
109.06518	2.6
109.10158	2.9
110.81316	2.1
117.07049	8.7
119.08594	5.2
119.16146	2.0
121.06496	4.4
121.10122	4.1
129.07024	2.7
131.08595	5.4
133.10181	3.4
133.46736	1.9
135.08101	2.1
135.11661	2.9
141.07022	6.6
143.08563	3.9
145.10187	2.9
153.82976	1.9
155.01080	4.7
155.08574	5.0
167.08543	2.0
181.10172	4.6
183.11781	3.1
188.36565	2.1
197.13190	2.5
237.00792	2.5
247.17262	2.6
264.23947	2.4
266.10394	3.3
344.70932	2.0
356.35345	4.4
372.56305	2.3
383.25903	5.6
418.18549	6.1
418.38779	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	419.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45418	6.5
52.64976	6.0
63.62639	6.7
69.03397	7.8
69.31506	6.9
71.00902	14.0
71.60052	6.1
79.05479	9.2
81.07046	15.5
81.37156	6.6
85.52887	6.8
88.04032	6.7
91.05473	15.9
93.07030	19.1
95.08603	8.1
97.02920	12.9
103.82581	6.6
107.04975	8.3
119.08603	7.7
121.06525	50.3
122.06855	11.7
133.10165	8.5
143.80635	6.9
147.42120	6.7
153.07307	7.4
165.05482	9.2
180.06581	19.9
181.06943	13.9
185.04129	6.9
194.38724	7.2
208.18179	6.7
222.07530	12.7
223.07982	11.2
237.09328	12.5
257.11441	27.5
266.10168	9.6
280.08200	9.6
373.10617	8.6
419.10733	100.0
419.16083	21.7
419.21649	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	419.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
55.01860	18.9
58.44192	4.2
65.03947	5.7
69.74100	5.0
71.57433	10.3
71.97834	4.8
77.03953	4.3
79.05487	7.1
81.07054	14.9
83.04986	9.7
84.08151	7.2
85.02918	11.4
91.05470	19.5
93.07036	13.9
93.63945	4.5
95.04972	6.1
98.21281	5.8
103.05496	11.3
105.07048	11.7
107.04985	6.3
107.08576	14.0
119.04929	14.3
119.08601	6.3
121.06513	61.0
122.06824	12.9
123.04440	7.2
129.07048	7.8
131.04892	5.0
131.08615	8.5
131.55533	5.3
133.06563	5.8
133.10129	11.6
135.11719	6.7
136.07538	4.8
137.05966	14.4
147.04410	15.7
147.11729	6.8
148.05173	5.5
149.05945	8.2
159.08014	7.3
161.05928	7.9
161.76472	4.9
163.03900	7.0
163.07570	5.9
164.07098	6.3
167.07060	32.9
177.05446	25.4
178.08562	6.1
181.04951	42.6
183.06589	6.3
183.11771	5.0
187.07559	6.0
191.07074	31.4
203.17839	4.4
209.08138	34.3
221.19080	8.5
222.07550	7.0
222.11296	13.4
223.07962	6.5
223.11456	10.9
226.39560	4.7
238.10628	6.4
239.10986	7.2
249.11377	24.4
250.28265	4.6
267.10611	11.0
401.16031	15.0
419.10986	71.2
419.20438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1317
Annotation	Flustramine M
Peak:m/z	Relative Intensity
57.03414	3.5
61.02917	3.4
69.03422	8.8
72.08141	1.8
72.93779	1.9
73.02897	2.1
75.60867	1.4
81.03391	2.9
84.08140	1.7
85.02918	17.4
85.96725	1.5
87.04455	3.0
91.05460	4.4
94.92973	6.7
97.02859	7.1
98.97540	2.6
101.00869	7.9
104.07076	3.2
107.04916	1.5
115.02448	1.5
119.01930	12.6
119.89245	1.4
121.01717	2.2
121.06509	9.9
127.03858	5.7
130.08586	2.3
132.95781	4.8
133.03442	3.2
135.50362	1.5
136.94040	66.4
137.05907	7.1
143.01857	5.1
145.03400	4.8
145.04912	5.6
148.93047	1.9
148.94029	17.8
150.96912	1.6
153.92575	1.7
157.03514	8.6
158.97333	1.9
158.99599	1.8
161.02888	4.3
163.03778	2.7
166.93819	1.9
166.95103	36.5
174.96933	1.8
175.04382	4.5
196.96153	11.5
197.82964	1.5
205.05392	4.7
223.06616	10.0
225.06169	3.4
236.06258	1.9
236.56189	3.5
239.04219	3.1
241.07454	1.9
243.07140	3.0
245.04903	2.9
255.01419	5.1
256.98178	6.8
261.08713	1.8
265.07520	3.9
267.07040	2.2
269.07684	5.7
281.08478	4.4
327.60226	2.0
345.13651	2.2
359.11691	5.7
371.11584	3.3
377.03940	3.5
381.88293	1.9
389.13031	20.7
401.12149	16.3
419.03107	11.8
419.08633	10.1
419.12982	100.0
420.13690	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	419.1339
Annotation	7-Hydroxy-3,3',4',5,6,8-hexamethoxyflavone
Peak:m/z	Relative Intensity
55.01867	1.8
65.03944	3.0
69.12550	0.9
71.58609	1.0
71.58984	1.2
79.05504	1.5
79.55820	0.9
81.07060	1.8
81.70399	0.9
85.02907	1.3
85.06575	1.1
91.05490	36.4
93.07042	1.8
95.04981	2.4
97.06521	1.1
103.05446	1.1
105.07030	1.2
107.04941	2.3
109.24068	1.1
116.10126	0.9
119.04961	20.1
121.02879	1.8
121.06503	3.3
129.15378	1.1
137.05997	100.0
138.06339	1.2
141.07039	1.0
145.06511	1.4
149.02377	1.7
151.03914	2.5
151.07570	11.6
152.07127	1.4
153.05518	1.6
165.05542	6.7
166.05003	2.1
167.03416	3.1
167.05832	1.1
167.07088	7.0
177.05527	2.1
179.07082	2.7
180.06577	17.7
181.04991	14.1
181.06900	12.2
183.06598	1.4
187.07584	1.4
191.03467	2.4
193.05046	1.1
195.06570	2.1
209.08170	3.3
215.23030	1.2
217.08549	1.3
219.10168	2.0
221.08006	1.2
222.07657	6.7
222.11304	1.0
223.06021	8.9
223.08012	9.9
223.11261	1.2
224.09166	2.3
247.09729	1.4
249.11377	2.5
254.06479	1.0
266.10175	1.1
267.10541	2.5
315.08640	5.1
330.11066	6.1
351.12137	1.2
354.59924	1.1
369.13507	1.2
373.12573	2.4
383.14771	1.1
401.12036	3.0
401.16083	3.3
419.13174	22.2
419.18845	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	419.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31731	0.4
65.03924	2.6
65.38715	0.5
70.89651	1.3
81.07060	1.2
91.05486	30.5
92.05813	0.5
93.31120	0.4
98.21135	0.8
105.07077	0.4
107.84437	0.5
109.06502	1.6
119.04949	16.6
119.08588	0.5
119.22734	0.4
121.02872	1.7
121.06522	1.2
125.12270	0.5
135.04416	0.7
135.11700	0.7
137.05986	100.0
140.38928	0.5
149.02316	1.3
153.05518	1.1
163.03915	1.6
167.03432	2.5
179.07050	1.8
181.04977	10.7
185.04196	1.7
191.03430	2.6
209.04446	1.5
223.06027	9.3
223.08125	0.7
223.49399	0.5
257.11395	3.3
265.06787	0.5
297.25977	0.4
330.77255	0.4
345.09726	2.0
419.16971	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	419.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89734	2.1
51.60685	2.1
53.00074	1.9
53.56379	1.9
61.71892	1.8
70.06584	5.4
70.85404	5.9
79.05489	7.8
82.30685	1.8
85.02940	2.1
91.05482	5.1
92.17877	2.0
93.65818	1.8
95.04952	1.7
98.20971	4.2
105.07003	3.9
107.04970	11.1
115.05451	2.9
117.06991	2.4
121.06560	2.5
122.03630	2.7
123.04488	3.0
124.05204	2.3
131.08589	4.2
133.06517	3.0
137.05952	2.7
144.05717	3.7
145.06496	6.4
156.05711	4.2
159.08063	6.9
161.05922	3.9
167.07045	47.9
173.06036	5.9
181.04984	5.0
184.05159	2.5
187.07542	3.5
190.06242	3.6
191.07079	1.9
193.08603	4.5
195.06566	2.4
205.08641	9.2
208.05153	13.0
214.90623	2.1
217.08565	13.4
219.08043	2.3
219.10086	2.8
221.05989	3.9
235.09589	2.2
236.04688	5.0
240.04195	2.5
241.08685	2.2
247.07547	3.4
247.09708	12.4
248.08374	4.9
254.05791	7.2
263.07007	2.5
263.10733	4.7
267.06509	3.2
268.03851	2.9
269.08047	17.5
271.05902	2.2
271.09662	2.3
275.06937	3.1
277.08728	2.2
282.05380	3.6
282.08899	4.7
285.07935	2.4
287.09219	3.6
290.09479	2.8
291.10074	5.4
299.09177	2.8
315.08615	73.9
315.12329	3.8
319.09894	2.2
323.12567	4.8
330.10983	100.0
331.11804	3.7
337.10593	2.7
339.12466	4.0
343.11792	8.1
351.12283	9.9
352.13058	2.4
353.10159	2.7
368.12466	2.4
369.13226	6.8
383.14783	14.9
401.15918	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	419.1705
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
52.17078	1.3
60.49803	1.3
65.03937	1.2
69.23229	11.0
79.05491	5.2
80.32001	1.2
81.03426	1.8
89.04601	1.2
91.05482	6.0
95.04984	1.8
100.89587	1.3
102.01419	1.4
103.05450	1.4
105.07066	1.6
107.04966	11.5
115.05437	2.3
117.07030	4.0
119.04957	2.5
121.06511	2.2
123.04425	2.4
124.05202	3.4
125.05906	1.5
129.07040	2.1
131.08585	3.2
137.05997	12.2
141.07004	2.3
144.05687	3.5
145.06473	7.2
147.04419	3.7
152.04590	1.5
156.05731	4.5
159.08061	6.6
161.06021	2.4
165.05542	1.2
167.03293	1.5
167.07059	43.3
168.07381	1.2
173.06017	7.3
173.13872	1.2
175.07489	1.6
179.07043	1.4
181.04898	3.5
187.07550	4.6
190.06241	4.7
202.06158	1.7
205.08594	10.3
207.06599	1.5
208.05220	14.3
217.08649	13.4
218.07222	1.4
219.08128	2.8
219.10118	3.1
220.08865	1.3
221.06041	2.0
221.35504	1.2
222.11276	1.8
223.11610	2.0
227.06982	1.7
231.08183	1.5
236.04663	5.3
238.06189	1.5
241.08563	1.6
247.07513	3.9
247.09692	8.8
248.08423	3.1
254.05701	7.6
255.06424	2.0
258.06680	1.5
263.10666	3.1
264.07785	2.5
265.08612	2.1
267.06503	3.0
267.10638	1.6
269.08078	17.5
271.09576	3.7
272.06708	2.3
275.06927	2.0
276.07867	1.4
282.05673	2.4
282.08878	6.3
285.07367	1.7
287.09167	3.0
290.09424	1.8
291.10071	3.6
293.08148	3.1
300.06223	1.8
301.07016	2.1
307.09619	5.4
310.08398	3.1
315.08661	72.4
316.09146	3.0
319.09521	2.3
323.12866	4.5
328.09357	2.0
330.11017	100.0
331.11557	4.3
337.10797	2.1
339.12280	3.8
343.11838	8.2
351.12363	9.5
352.13019	3.3
369.13257	5.2
383.15012	13.2
401.15857	7.7
419.18945	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
58.14491	1.3
67.05494	1.7
69.03415	1.7
70.06580	7.3
71.57742	2.0
72.08138	1.4
75.96669	1.2
79.05473	6.1
81.03381	2.3
81.07053	1.7
85.02882	2.2
86.09694	2.3
91.05492	7.9
94.06497	1.5
95.04964	2.9
97.02855	2.4
103.05484	2.4
105.07042	8.0
107.04276	1.8
107.04950	14.6
115.05468	2.3
116.06239	1.9
117.07017	3.8
119.04990	1.7
121.06491	2.8
123.04430	4.9
124.05196	4.0
125.06016	1.6
128.06224	1.9
129.06979	4.1
131.08536	4.2
133.06496	4.2
137.05998	6.6
138.18674	1.5
144.05655	3.5
145.06471	6.1
145.07495	1.5
147.04401	1.8
149.02368	1.4
151.07494	1.6
156.05659	6.4
157.06526	2.1
158.07251	1.5
159.08064	6.5
161.05980	7.5
161.09622	1.4
163.03900	1.7
165.05518	3.7
167.07045	54.8
173.06003	7.6
177.05408	2.0
179.07137	2.2
181.04936	5.4
181.06357	1.4
184.05275	1.6
187.07582	6.5
190.06294	2.9
191.07063	2.4
193.08601	4.3
201.09344	1.3
201.11739	1.9
202.06198	3.3
202.07916	1.7
205.08582	13.5
207.06424	2.2
208.05196	16.2
211.07571	2.4
217.08606	13.8
218.07251	1.3
219.07990	4.0
219.10060	2.9
221.06076	2.1
229.08630	2.2
230.09425	1.4
231.08095	2.6
235.09596	3.0
236.04626	7.8
240.04076	1.7
241.08418	1.7
247.07501	5.3
247.09683	13.6
248.08347	4.6
249.09116	2.3
251.10635	1.8
254.05791	8.8
257.04514	1.5
261.09204	1.8
262.09848	1.9
263.07278	1.3
263.10565	3.1
264.04178	1.6
264.07803	2.4
265.08368	3.1
265.10880	2.2
267.06555	3.7
269.08112	21.5
271.06064	1.8
271.09637	4.9
272.06760	3.1
275.07071	2.4
276.07797	2.8
277.08456	2.0
279.10049	2.0
282.05487	3.0
282.08850	8.7
287.09143	1.8
290.09445	2.5
291.10211	5.3
293.07959	2.8
300.06262	2.1
301.07074	1.7
305.08060	1.4
307.09482	2.4
308.10287	2.3
309.11133	1.8
310.08234	2.6
315.08618	86.2
319.09628	3.0
321.11121	2.3
323.12683	5.8
325.10696	1.6
328.09451	2.6
330.10980	100.0
331.11566	4.9
336.09949	1.5
337.10629	2.7
339.12228	4.0
343.11871	6.6
351.12265	9.5
353.10117	3.2
368.12561	2.8
369.13266	8.4
371.14682	2.1
383.14929	18.0
401.16016	12.1
419.23187	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	419.2643
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01865	1.7
55.05500	1.6
65.03930	3.2
67.05498	1.6
69.07045	1.7
70.77898	2.3
71.04987	2.4
71.87067	0.8
79.05490	3.5
81.07060	10.0
85.06522	0.9
90.74300	0.8
91.05487	36.4
93.07031	3.4
95.08610	1.8
105.07034	2.1
107.04964	2.8
107.08590	5.2
109.06506	1.4
109.10146	3.1
117.07022	0.9
119.04952	17.0
119.08562	4.4
121.02837	1.2
121.06474	1.1
121.10168	2.7
123.04374	1.5
123.11710	2.0
127.11182	1.5
129.29138	0.9
131.04930	1.1
133.06503	1.1
133.10146	3.8
135.11707	10.1
137.05984	100.0
138.06322	1.1
143.10660	2.8
147.04395	1.5
147.11681	3.2
149.02307	1.2
153.05487	1.8
159.08055	1.9
161.05956	1.4
161.13229	1.1
163.03902	1.7
167.03409	2.7
167.07059	9.9
168.07404	2.1
169.07568	1.6
173.05972	2.4
179.07031	1.6
180.06581	1.9
181.04958	14.5
181.06630	1.2
182.05287	1.2
191.03403	2.3
191.07053	2.9
203.17941	6.0
205.08528	1.5
208.05078	1.3
209.08031	3.3
217.08653	1.8
221.18996	8.2
223.06024	7.4
223.07932	1.2
224.09335	0.9
239.20056	1.1
247.09711	1.5
248.08398	1.2
249.11194	1.5
254.05679	1.0
269.08170	1.5
282.08667	0.9
315.08664	6.0
330.10922	9.4
345.09503	1.5
351.12173	1.3
369.13397	1.2
383.14874	1.4
419.11829	1.3
419.16876	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3522
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03932	3.7
55.05512	11.8
57.07080	21.5
57.69559	1.8
66.92059	1.5
67.05507	7.0
69.07076	29.3
70.82501	3.2
70.82836	2.5
71.08646	13.1
72.29361	1.6
79.05494	8.4
81.07059	15.4
83.04974	4.1
83.08623	19.5
85.10175	6.0
90.48298	1.4
91.05496	8.8
93.07038	8.4
93.10112	1.6
95.04984	1.9
95.08595	10.7
97.10180	11.3
105.07021	5.8
107.08580	7.2
109.06524	19.4
109.10175	3.7
111.11726	7.3
115.87400	1.6
119.04844	1.7
119.08577	2.7
121.06518	5.3
121.10159	4.8
123.08083	5.2
125.06007	5.1
125.13273	4.3
131.08566	2.7
133.10136	3.4
135.04428	15.1
135.08025	4.1
135.11757	2.3
137.05988	93.9
139.07581	3.0
145.10126	4.8
147.11786	1.6
149.05989	7.1
149.09613	3.7
149.13321	1.9
151.07527	14.3
153.05464	5.0
155.07027	2.9
159.11703	4.6
161.13300	1.7
163.07513	4.7
163.11165	1.8
165.09126	7.5
177.09076	4.7
177.12727	4.0
179.10699	6.6
183.80412	1.6
187.11115	2.2
191.10637	5.1
193.12250	8.8
205.12312	11.3
207.13869	4.5
219.13762	3.7
249.18379	2.3
251.04758	2.4
263.20120	2.7
275.20068	4.5
313.72952	1.8
319.26083	2.3
401.34177	100.0
402.34583	2.8
406.12433	1.7
419.22647	2.4
419.35196	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	419.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05495	0.2
57.07063	0.5
65.03935	0.2
69.07077	0.2
70.72147	0.4
70.72488	0.2
71.08619	0.5
76.30245	0.2
80.52988	0.2
83.04952	0.3
84.61337	0.2
85.10177	0.3
99.00866	0.8
99.04462	3.9
111.04448	2.8
125.06000	10.1
141.05478	4.8
149.02332	0.2
153.05475	100.0
154.05823	0.4
167.07089	0.7
181.08665	0.2
195.10161	0.2
254.73871	0.2
419.35217	40.4
420.35410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3885
Annotation	6alpha-Hydroxycampestanol
Peak:m/z	Relative Intensity
53.03932	1.8
55.05269	1.1
55.05516	15.9
55.82526	0.9
57.07077	35.5
59.04994	4.7
60.01568	1.0
64.40106	1.0
65.03928	1.4
67.05510	9.4
69.07072	33.1
71.04981	1.4
71.08635	28.0
71.23954	1.4
75.99321	1.2
79.05492	6.5
81.07063	16.4
83.01333	1.4
83.04986	4.4
83.08618	23.6
85.10191	13.8
91.05493	8.9
93.07043	11.7
95.08606	18.8
97.06530	1.9
97.10177	16.3
99.04460	3.2
99.11712	2.0
105.07042	6.2
107.08606	45.5
109.06532	4.4
109.07622	1.2
109.10158	14.6
110.07200	1.4
111.08092	31.3
111.11730	6.7
117.07067	1.9
119.08594	6.8
120.58104	1.1
121.06528	1.7
121.10146	16.9
123.08071	24.5
123.11699	5.4
125.06000	4.3
125.09644	12.1
125.13311	3.6
127.07542	1.2
127.14735	1.1
131.08569	1.3
133.10130	11.0
135.08063	61.8
135.11691	8.5
135.66978	1.0
137.05991	2.0
137.09598	12.4
137.10388	1.0
137.13272	1.9
139.11238	1.9
145.10164	4.7
147.11725	6.6
149.09637	19.6
149.13266	6.2
151.11226	2.0
151.14915	2.2
153.09109	100.0
157.10196	1.4
159.11725	4.4
161.13300	3.0
163.11201	4.6
163.14792	3.4
165.12744	1.4
173.13280	3.9
175.14839	2.1
177.12746	2.7
177.16426	3.3
179.14375	3.5
187.14908	3.0
191.14348	4.7
193.15921	5.0
205.15910	4.9
207.17516	2.2
219.17477	2.7
251.04732	1.5
261.22162	1.5
275.23837	2.2
275.27408	1.3
345.31436	1.5
363.17255	1.5
373.38287	1.6
375.50903	1.2
383.36621	7.5
401.37823	73.4
402.38358	2.5
419.23022	6.1
419.38971	62.7
420.39139	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
54.69326	1.9
55.01871	4.7
56.31695	1.9
57.03428	9.2
61.02911	5.5
61.74929	2.0
69.03434	49.4
71.04983	7.8
71.55826	2.5
73.02911	4.0
77.40569	1.9
81.03428	38.3
85.02907	100.0
87.00835	45.3
87.04466	3.8
91.05483	24.3
93.07048	3.6
96.39761	2.0
97.02896	69.2
98.21272	2.9
98.98477	8.7
99.04459	25.3
105.01872	44.6
105.07006	2.5
106.06551	2.5
109.02886	19.2
114.05560	4.8
117.07032	3.1
118.06578	4.5
119.04961	8.8
121.06532	25.0
125.00009	29.8
127.03922	92.8
129.01859	2.6
133.06508	2.3
137.05978	93.2
142.05020	3.5
144.08046	4.9
145.04973	71.2
146.04955	2.2
146.06018	11.3
147.04405	5.0
149.06070	2.9
151.07573	7.7
155.07043	5.9
159.02881	7.4
161.05962	6.5
163.03854	4.1
165.05518	7.2
171.02885	3.9
172.07545	5.9
175.07533	2.8
178.08653	17.4
179.07013	16.3
188.07071	4.0
189.03964	8.3
202.08600	2.7
203.07141	5.5
204.10184	23.8
212.12799	5.7
213.03975	4.0
216.06581	3.5
220.09721	3.7
221.08090	9.0
222.11240	38.4
223.13261	2.2
231.05009	58.4
245.08157	10.8
248.09319	14.5
249.06032	22.7
263.09140	19.1
265.12680	2.2
266.10272	78.7
285.03940	2.1
302.07950	3.8
346.06946	8.8
349.09222	3.6
367.10428	6.4
420.10425	31.8
420.15161	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
58.30086	0.6
65.03926	1.9
68.05035	1.6
69.69864	0.7
71.09697	1.4
72.04516	1.3
79.05486	1.1
80.13041	0.6
81.03408	1.8
91.05486	30.6
92.05805	3.0
96.04478	2.4
97.02899	2.1
102.40125	0.6
107.04951	1.0
107.07378	1.0
109.06512	2.3
114.05552	6.0
118.06499	0.7
119.04953	17.5
120.04469	2.1
120.05284	2.5
121.02840	2.6
121.06506	1.5
135.04428	1.3
136.07593	1.1
137.05983	79.7
138.05467	1.2
138.06337	12.6
146.08130	2.1
148.03929	2.7
151.06386	1.5
152.07076	6.7
164.07024	3.7
166.04996	4.4
180.06564	23.5
181.04974	1.5
182.05342	1.0
182.08110	1.8
184.06094	0.8
192.06577	10.1
196.09688	2.0
208.09723	0.8
210.07623	63.1
224.09189	100.0
225.09419	1.1
234.07698	1.3
252.08687	50.1
253.08842	0.7
266.10245	1.4
284.11285	2.6
336.79684	0.7
346.12921	16.7
388.13934	8.0
420.16559	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	420.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73395	0.3
65.03951	0.4
70.06565	0.5
70.18488	0.3
71.12328	0.5
86.09697	0.5
91.05488	2.7
92.04990	0.7
93.07046	0.4
107.07301	0.8
108.08126	0.6
119.04917	1.0
120.04486	1.5
136.07574	0.5
137.05988	5.2
138.05476	0.7
148.03929	2.0
151.06274	2.0
152.07063	5.6
166.05003	2.4
180.06569	27.2
194.08199	0.3
195.08908	0.9
196.09668	1.4
198.72148	0.3
208.09694	0.5
210.07622	10.0
224.09187	100.0
225.09416	1.2
240.19540	0.3
246.14993	0.6
252.08617	0.8
346.12912	7.4
353.07199	0.4
388.13947	0.8
420.15955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	2.5
66.40136	0.6
68.05029	1.0
72.04517	1.5
79.05493	0.6
81.03436	1.0
81.07047	0.8
91.05486	33.3
92.05817	4.6
96.04497	2.6
97.02898	1.6
107.04964	0.9
107.07342	0.7
108.08067	0.9
109.06512	2.1
109.41723	0.6
114.05534	5.4
118.06596	0.8
119.04951	15.8
120.04540	1.0
120.05293	2.4
121.02882	2.8
121.06505	2.4
135.04439	2.1
135.91269	0.5
136.07565	1.7
137.05983	77.4
138.05519	0.8
138.06319	16.9
146.06026	1.1
146.08087	0.6
148.03926	2.3
149.02373	0.7
151.06274	2.3
152.07079	5.2
158.08763	0.6
164.07018	2.9
166.04996	4.4
180.06557	21.1
181.04939	2.5
182.05280	0.9
182.08154	0.9
191.03542	0.8
192.06563	9.2
195.08919	0.7
196.09671	1.7
208.09651	0.9
210.07620	56.0
223.06058	1.4
224.09183	100.0
225.09341	1.3
252.08685	43.5
266.10239	0.9
284.11258	2.3
346.08844	0.9
346.12894	15.5
358.47067	0.7
388.13919	8.9
420.16376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
58.30086	0.6
65.03926	1.9
68.05035	1.6
69.69864	0.7
71.09697	1.4
72.04516	1.3
79.05486	1.1
80.13041	0.6
81.03408	1.8
91.05486	30.6
92.05805	3.0
96.04478	2.4
97.02899	2.1
102.40125	0.6
107.04951	1.0
107.07378	1.0
109.06512	2.3
114.05552	6.0
118.06499	0.7
119.04953	17.5
120.04469	2.1
120.05284	2.5
121.02840	2.6
121.06506	1.5
135.04428	1.3
136.07593	1.1
137.05983	79.7
138.05467	1.2
138.06337	12.6
146.08130	2.1
148.03929	2.7
151.06386	1.5
152.07076	6.7
164.07024	3.7
166.04996	4.4
180.06564	23.5
181.04974	1.5
182.05342	1.0
182.08110	1.8
184.06094	0.8
192.06577	10.1
196.09688	2.0
208.09723	0.8
210.07623	63.1
224.09189	100.0
225.09419	1.1
234.07698	1.3
252.08687	50.1
253.08842	0.7
266.10245	1.4
284.11285	2.6
336.79684	0.7
346.12921	16.7
388.13934	8.0
420.16559	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	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46811	1.6
55.51872	1.3
56.26411	1.4
57.03440	22.6
59.04996	3.4
60.04513	2.2
61.02935	3.5
69.03433	50.5
69.14291	1.4
69.89691	7.8
70.06568	1.5
70.67920	1.3
73.02918	18.3
79.05451	2.2
81.03423	2.6
83.09471	1.6
85.02908	48.2
87.04471	32.2
91.05487	100.0
93.07020	2.5
97.02895	60.1
99.04447	3.4
105.07023	3.1
107.04969	4.8
109.02878	3.3
115.03938	61.6
117.07008	2.1
119.04959	1.5
121.06524	7.1
127.03899	7.9
133.04968	58.2
133.06483	2.4
137.05991	2.0
145.04955	11.5
145.06494	2.4
150.07655	10.0
157.06453	1.7
161.04471	3.4
163.06038	3.0
169.05003	1.8
175.07480	2.3
189.92027	1.5
194.08234	1.8
198.78868	1.4
205.08635	2.1
209.99071	1.5
213.38654	1.5
217.08664	2.3
220.09619	1.5
222.11256	3.6
223.09711	5.8
235.09595	2.9
236.09229	2.1
238.10762	4.9
241.07042	3.6
253.10744	3.9
256.11798	1.7
259.08121	5.1
266.10294	2.3
277.09027	2.0
282.09802	4.0
295.10229	4.4
357.89413	1.8
402.23193	1.6
420.16541	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52584	0.7
53.03953	1.7
59.05001	8.4
70.09238	3.0
73.37574	0.6
75.08475	0.6
78.30363	0.8
79.05497	0.8
91.05491	6.0
93.07051	9.7
95.04977	1.5
95.08619	1.6
98.97614	0.7
103.05471	9.7
120.08046	0.8
121.06510	94.8
122.06810	1.3
124.03972	1.5
132.04433	0.8
138.05505	3.7
150.05484	2.3
162.71626	0.7
164.07074	25.0
166.05026	4.5
166.08636	1.0
168.06572	16.0
182.08124	14.0
194.08141	7.2
208.09697	100.0
209.10323	2.3
210.11539	0.6
226.10768	14.0
240.12283	4.3
268.11823	29.8
286.10748	1.1
288.12305	0.8
314.13895	9.8
320.11237	0.8
339.74106	0.8
346.16452	2.9
360.14362	1.5
388.17572	10.4
423.07968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
59.05006	14.0
69.81550	1.9
72.04516	0.6
91.05490	6.5
93.07049	10.2
95.04967	1.7
100.68275	0.4
103.05485	7.2
103.07635	0.9
119.04963	0.6
120.08129	0.6
121.06512	100.0
122.06877	1.6
124.03957	2.7
136.07574	0.6
138.05499	1.4
140.03392	0.4
148.05472	0.4
148.07599	0.8
150.05501	3.6
150.09157	1.4
154.04971	0.8
155.03389	2.3
162.05510	0.6
162.09151	0.8
164.07085	2.2
164.10715	0.6
166.05016	27.2
166.08650	1.0
168.06573	25.1
176.07086	0.6
180.06584	5.7
180.10216	0.9
182.08147	5.5
190.08636	1.4
192.10222	6.0
193.07330	0.4
194.08138	14.6
195.06538	0.5
198.07715	0.8
206.08151	1.7
208.09691	13.9
218.08165	1.6
220.09700	3.1
222.11287	4.8
224.12776	3.0
226.10754	15.3
226.13002	0.9
236.09158	3.5
240.12323	2.1
247.65256	0.5
250.10741	11.0
256.04645	0.4
268.11813	58.6
269.12061	0.6
282.13406	1.9
286.10757	11.4
288.12289	2.3
314.13895	2.8
346.16495	12.9
388.17545	19.2
389.17749	0.5
426.57687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40186	0.5
59.05006	10.6
69.63061	0.9
69.63473	2.7
72.35071	0.7
91.05486	2.2
93.07055	2.9
100.87368	0.5
103.05450	1.9
106.02894	0.9
120.04463	0.9
121.06516	24.1
124.03980	0.8
133.10132	0.9
137.05956	1.0
138.05508	25.1
150.05467	0.9
152.07133	0.7
164.07098	6.6
166.04951	1.0
166.08736	0.5
168.06570	6.8
168.36346	0.5
182.08147	100.0
183.08490	1.1
185.04245	0.9
193.15979	0.6
194.08156	2.3
196.09735	2.8
208.09703	32.6
209.10129	0.6
210.07692	1.3
222.07648	2.9
224.09200	2.0
226.10783	0.8
226.16255	0.5
240.08679	0.8
240.12325	8.5
258.11911	1.3
260.51828	0.5
268.11752	1.7
288.12341	8.8
314.13831	3.3
325.04630	0.5
346.16293	1.7
360.14423	11.9
388.17654	1.7
420.17090	2.2
440.51050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
54.09571	0.3
55.05492	0.8
57.03429	0.5
57.07074	2.2
61.02934	0.7
64.59852	0.3
67.05508	3.2
69.03430	2.6
69.07060	2.6
69.75194	0.7
69.75594	1.0
69.97400	0.3
71.04980	0.4
73.02924	0.8
79.05497	7.5
81.03432	1.8
81.07062	100.0
85.02906	6.9
87.00835	3.5
90.45591	0.3
91.05479	0.4
93.07063	1.3
95.08612	15.2
97.02897	5.9
97.20538	0.4
98.20775	0.3
99.04458	0.9
105.01872	6.5
108.04490	0.4
109.02887	2.0
109.10170	0.9
121.06517	3.4
127.03919	7.0
137.13263	24.5
145.04965	5.7
154.16003	0.6
159.02965	1.2
182.08096	0.5
188.35468	0.3
208.09686	1.8
231.04990	2.6
248.07770	0.4
249.06139	1.4
284.09811	1.2
354.28876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.05509	3.1
56.05027	2.5
57.07054	1.1
61.65134	0.6
67.05515	9.2
68.05016	1.3
69.07078	3.2
70.06596	51.4
70.93347	1.7
79.05500	7.8
81.07074	7.5
83.08606	1.2
86.06072	10.0
88.07615	0.8
91.05490	3.7
93.07043	9.7
95.08611	7.4
96.08125	3.5
98.06013	1.3
107.08588	4.8
109.10155	2.5
114.04730	0.9
114.05535	22.5
114.09174	31.5
117.07002	1.6
119.08585	2.4
121.06498	2.5
121.10129	3.1
122.08093	0.7
123.11763	1.2
131.08569	1.5
133.10135	1.9
135.11662	1.4
142.08646	56.9
147.11693	1.5
149.13260	1.3
157.09953	0.7
159.11679	0.8
160.09705	90.6
173.13254	1.1
185.60587	0.7
187.14844	0.8
201.16411	0.7
213.16425	1.1
249.89568	0.7
286.57013	0.7
319.26282	3.0
374.30743	2.5
396.85751	0.7
398.38916	0.7
420.31082	100.0
421.30566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84892	1.5
55.05514	3.2
60.72644	1.5
65.03944	2.1
67.05483	5.5
69.07066	3.6
76.80821	1.5
79.05486	4.0
81.07069	12.0
83.04987	1.7
83.08617	2.6
86.62997	1.5
91.05489	100.0
92.00433	1.6
93.07098	2.8
95.08602	5.4
99.08091	7.0
105.07041	3.7
107.08612	4.0
109.10135	4.4
115.05446	1.5
117.07004	5.8
119.08566	3.7
121.06500	5.8
121.10126	3.8
123.11675	1.7
125.09623	6.2
129.07031	3.9
131.08542	4.2
133.10193	2.4
135.11708	2.6
141.07018	6.6
143.08582	3.7
145.10202	1.5
155.08569	3.7
157.10104	2.9
161.13266	2.0
169.10144	2.9
181.09999	2.1
183.11720	1.7
183.29189	1.5
197.13319	2.5
208.46631	1.7
209.15463	1.5
228.86674	1.3
255.01834	3.8
275.20215	1.8
355.30658	1.7
385.27719	2.0
421.73441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1105
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
50.07410	1.0
55.01859	1.1
56.96559	4.5
57.03428	2.8
61.02923	1.5
67.41143	1.1
69.03416	4.7
70.03455	2.2
70.03867	4.3
70.80786	1.1
72.08138	1.3
73.02914	2.1
79.05508	1.5
81.03436	1.8
83.04956	1.4
84.08160	1.9
84.96033	1.7
85.02909	10.7
85.06519	1.6
86.09689	1.3
89.03956	1.7
95.04994	1.1
97.02895	6.5
98.20906	1.6
98.97589	18.0
99.04465	1.2
109.02887	1.2
110.97608	6.4
111.04470	1.1
112.99151	2.0
116.98611	5.9
117.03383	2.2
119.04965	1.1
124.99104	1.9
127.00687	2.0
127.03922	15.9
127.85294	1.1
128.98621	5.2
130.04872	1.0
131.00186	2.2
135.04425	3.4
136.06213	1.3
137.05989	3.3
143.00122	2.1
145.01740	3.0
145.02806	1.9
145.04939	2.2
146.99649	2.7
147.04456	2.3
158.99644	2.6
161.01250	2.7
163.02740	2.0
163.03923	14.5
164.04192	1.9
167.06938	1.5
170.99690	4.0
177.00717	3.8
179.02342	1.3
179.07063	1.1
185.01173	1.3
189.00693	2.6
201.00754	2.7
211.02759	1.3
213.05470	1.8
219.01765	11.7
237.02812	16.0
238.50591	1.1
239.04471	1.3
267.28754	1.1
289.05902	5.3
291.03995	1.5
307.07022	8.7
355.74869	1.1
421.10962	100.0
439.11374	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1343
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03926	0.2
57.03440	2.0
61.02921	0.7
64.32626	0.2
69.03431	1.1
70.84592	0.6
73.02923	4.2
81.03415	0.6
85.02914	2.7
94.81121	0.2
97.02904	1.8
99.04430	0.3
109.02895	0.4
115.03955	0.6
117.26045	0.2
127.03925	100.0
128.04289	0.6
145.04958	0.8
166.29433	0.2
289.09183	3.8
421.17175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1472
Annotation	Melampodin A
Peak:m/z	Relative Intensity
69.30531	0.8
69.30854	7.4
85.59186	0.9
88.82799	0.8
94.93037	1.6
96.92845	1.7
98.21456	1.4
127.03947	1.3
136.94022	4.6
138.93845	13.8
148.94041	1.3
150.93883	3.5
166.95087	1.7
168.94917	7.2
196.65782	0.9
198.31335	0.8
198.96004	1.8
248.89751	3.0
258.04163	1.0
258.98047	1.6
329.74701	1.0
421.04330	6.7
421.14908	100.0
422.15518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03950	1.9
54.67884	0.3
65.03929	0.3
69.02521	0.3
70.76625	0.5
77.03944	0.4
91.05483	5.9
93.07047	9.4
95.04971	1.8
103.05476	7.2
104.51563	0.2
105.04503	0.5
105.14462	0.3
111.04452	0.3
115.49718	0.2
119.04926	0.3
121.06509	100.0
122.06824	0.8
123.00805	0.5
149.02373	1.2
167.03374	0.4
181.04959	1.2
191.03441	1.0
209.04460	0.8
223.06006	1.6
372.40799	0.3
386.93903	0.3
402.41553	0.3
425.52237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1494
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
50.27456	0.3
51.02383	0.6
53.03937	1.8
54.09553	0.4
54.64285	0.4
60.22319	0.4
69.29126	0.4
70.75371	1.0
71.98754	0.4
77.03954	1.0
79.05524	0.4
91.05491	6.5
93.07056	10.2
95.04968	2.4
98.20995	0.5
98.80433	0.4
103.05469	8.2
105.04498	0.5
107.04916	0.4
109.33208	0.4
111.04533	0.4
111.48498	0.4
121.02865	1.0
121.06509	100.0
122.06825	0.5
123.00823	0.5
139.03896	0.5
149.02347	2.4
151.02136	0.4
167.03429	0.9
181.05020	0.6
187.28407	0.4
191.03429	0.5
209.04501	1.8
223.06136	0.5
241.07123	0.6
283.08160	1.1
333.84451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
53.03945	1.4
53.57150	0.3
57.04380	0.3
63.51407	0.2
70.09137	0.8
77.03931	1.0
82.73186	0.2
91.05486	6.0
93.03384	0.3
93.06477	0.6
93.07052	10.3
95.04978	1.8
97.02888	0.4
103.05471	7.6
105.04520	0.8
111.04423	0.5
121.02881	1.2
121.06511	100.0
122.06831	1.0
123.92153	0.2
135.04439	0.3
149.02368	2.6
167.03436	0.7
181.05008	1.1
191.03427	1.3
205.05092	0.2
209.04442	1.4
223.05988	0.6
241.07185	0.8
283.08127	0.6
323.58304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1495
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
50.36861	0.3
51.02373	0.4
53.03952	2.5
64.76581	0.2
66.36378	0.3
77.03925	0.6
87.50929	0.3
88.48151	0.3
90.71590	0.2
91.05485	6.6
93.03413	0.5
93.07050	9.9
95.04978	1.8
97.02872	0.3
101.33179	0.3
103.05473	7.3
105.04528	1.0
111.04469	0.4
121.02885	1.1
121.06512	100.0
122.06829	1.3
123.00784	0.4
149.02348	2.3
154.95094	0.3
155.03378	0.4
164.07111	0.7
165.07388	0.3
167.03377	0.8
181.04982	1.2
182.08134	0.4
183.08517	0.3
191.03383	0.6
208.09639	1.7
209.04510	1.5
209.10028	1.5
223.06039	0.4
241.07051	0.3
259.50824	0.2
283.08206	1.0
389.18274	0.5
389.88443	0.3
413.15979	0.3
421.18170	0.7
432.70114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1496
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
51.02386	0.3
53.03951	2.0
64.53758	0.2
65.03926	0.4
69.54328	1.6
77.03940	0.4
88.70349	0.2
91.04895	0.3
91.05482	5.6
93.03357	0.3
93.07050	8.9
95.04978	1.5
98.20895	0.7
103.05478	6.9
105.04519	0.9
111.04420	0.4
121.02937	1.3
121.06512	100.0
122.06833	1.1
123.00794	0.4
149.02336	2.1
163.03926	0.3
167.03400	0.5
168.06602	0.5
181.04964	0.8
190.35806	0.3
191.03391	0.6
208.09738	0.8
209.04422	1.5
209.10054	0.7
223.06094	0.8
223.11272	0.3
227.11044	0.5
241.07109	0.7
268.11844	0.5
269.12372	0.5
283.08261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1495
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
50.01581	0.2
51.02379	0.3
52.60703	0.2
53.03947	1.6
55.01850	0.2
67.97492	0.2
71.72520	0.2
77.03922	0.6
91.04909	0.2
91.05484	5.8
93.07048	9.2
95.01266	0.2
95.04978	2.2
97.02889	0.3
102.02755	0.2
103.05474	6.3
105.04522	0.7
111.04459	0.3
119.04881	0.2
121.06509	100.0
122.06844	1.0
123.00804	0.6
137.05994	0.8
149.02341	1.7
163.03870	0.3
167.03391	0.6
181.05002	1.2
184.77277	0.2
189.12729	0.2
191.03407	0.8
209.04463	0.2
223.05980	1.5
241.21687	0.2
245.18224	0.2
421.12756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
55.05514	9.1
57.03444	11.7
57.07080	35.5
67.05507	11.6
69.03414	1.7
69.06718	0.9
69.07071	10.8
70.56792	1.7
71.04984	2.4
79.05489	9.4
81.07061	24.5
83.04976	3.8
83.08614	5.7
85.02879	1.0
85.06544	16.0
91.05489	8.7
93.07047	14.9
95.04973	1.4
95.08610	19.5
95.09168	1.7
96.14336	0.8
97.06544	5.2
97.10138	0.9
103.05495	1.9
105.07027	8.4
107.08598	18.5
109.06524	16.4
109.10172	8.7
111.04440	3.0
111.08089	3.2
117.07023	0.8
119.08608	8.4
119.09370	1.2
121.06507	11.5
121.10149	7.4
123.08083	11.4
123.11717	2.8
125.06028	2.5
131.08539	2.3
133.10147	7.0
135.08064	14.9
135.11684	5.5
137.05980	25.0
137.09659	1.3
137.13260	1.4
138.06671	0.9
139.07536	3.4
142.07875	1.0
143.08556	1.6
145.10121	3.3
147.08034	1.4
147.11699	5.1
149.02390	1.1
149.09636	2.8
149.13264	2.3
151.07578	8.0
151.11208	5.1
152.08218	1.0
153.12747	2.6
157.10153	2.3
159.11711	2.6
161.09644	2.2
161.13261	2.5
163.11189	2.0
165.09172	1.3
165.12781	9.4
167.14313	1.0
171.11748	1.7
173.13318	1.4
174.29099	0.8
175.11279	2.2
175.14781	0.8
177.12755	7.4
179.10667	1.5
179.14311	4.6
181.12167	1.3
185.13309	1.5
187.14827	1.1
189.12729	1.5
189.16429	0.8
191.14326	2.8
193.04932	0.9
193.12227	3.0
199.52780	1.1
207.13815	8.5
219.04042	0.8
221.15216	1.1
233.19037	3.1
245.19122	0.9
259.62756	0.8
263.20108	4.4
277.18024	3.0
291.19562	1.2
301.24902	1.0
305.24585	1.6
319.22870	1.5
319.26349	11.5
329.24850	3.2
335.15128	1.0
337.27335	5.5
347.25821	100.0
348.26172	2.5
365.26886	22.9
376.25934	0.9
393.30054	14.7
403.28448	2.6
421.29544	83.9
422.29895	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01863	2.9
55.05514	12.8
57.03443	8.8
57.06824	1.7
57.07081	19.0
58.22648	1.2
61.02932	7.7
67.05515	8.4
69.03434	100.0
69.07064	4.9
69.20840	8.1
69.21257	4.2
71.04991	6.1
71.08642	14.4
72.39294	1.3
73.02911	1.6
75.54454	1.3
79.05489	2.6
80.65800	1.1
81.03419	7.3
81.07067	13.4
83.04990	30.4
83.08604	4.8
85.02911	19.9
85.10188	7.8
87.04475	8.8
91.05455	1.4
93.07043	2.6
95.08613	15.4
97.10175	3.1
99.04466	16.9
103.03961	3.0
107.08617	1.9
109.10191	7.1
111.04455	20.5
119.08520	1.4
121.06511	3.9
121.10123	2.2
123.11713	3.0
129.05487	62.2
133.10112	2.1
137.13197	1.3
147.06525	24.7
165.07617	16.9
235.87610	1.5
239.23714	9.4
250.27113	1.3
266.79239	1.4
293.25394	1.2
385.29529	37.6
403.30548	1.6
421.34814	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	421.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.0
55.05515	4.6
57.07074	1.5
65.03934	2.2
67.05508	11.7
68.33231	0.9
68.92633	0.9
69.07072	5.5
69.89851	5.5
78.10748	1.0
79.05499	17.2
81.07057	12.1
83.08617	2.3
88.57137	0.9
91.05488	22.1
93.07051	100.0
95.04972	3.6
95.08044	1.4
95.08610	14.1
97.06530	1.2
99.36897	0.9
105.04514	1.5
105.07043	7.0
107.08601	93.1
109.06492	2.0
109.10174	6.2
111.08025	1.0
119.06090	1.2
119.08592	4.5
121.06512	6.5
121.10143	5.6
123.11649	1.8
126.27667	0.9
131.08548	1.6
133.10121	4.2
133.14267	1.0
135.11700	90.5
137.13219	1.4
143.08575	1.8
145.10161	2.0
147.11685	1.8
149.13312	1.4
151.11203	1.3
159.11685	1.8
173.13300	1.2
177.12720	0.9
189.16415	0.9
201.16293	1.3
215.17889	3.3
233.19075	1.8
251.20084	5.7
265.23004	0.9
296.00400	1.0
339.19266	1.2
353.29199	1.1
421.29272	2.9
421.34634	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.05512	18.3
56.05454	1.6
56.28772	1.5
57.03432	5.9
57.06821	2.3
57.07082	25.0
61.02922	4.3
65.03952	2.3
66.05429	1.4
67.05508	25.4
68.55243	1.4
69.03072	3.1
69.03435	40.6
69.07073	21.4
70.70458	3.4
70.70797	1.6
71.04999	2.4
71.08643	15.7
72.80873	1.4
74.73065	1.3
79.05499	13.0
81.03426	3.1
81.07062	52.4
83.05002	12.6
83.08617	13.1
85.02907	9.1
85.10197	7.1
87.04477	3.2
89.06042	9.1
91.05477	10.9
91.06344	1.8
91.66798	1.4
93.07043	28.5
95.08611	95.0
97.06569	2.0
97.10179	8.1
99.04484	8.2
103.04000	2.5
103.05482	3.4
105.07040	29.3
107.08601	41.5
107.74691	1.7
109.06503	1.8
109.10161	48.5
111.04468	10.4
111.08084	2.6
111.11746	3.3
117.07056	5.6
119.08593	35.0
121.06511	19.1
121.10149	28.8
123.11717	19.1
125.13309	2.1
127.07580	2.4
129.05487	25.6
129.06990	2.0
131.08574	13.8
133.08618	4.9
133.10141	22.7
135.08058	1.9
135.11690	19.4
137.05980	3.3
137.13258	12.0
139.07565	1.6
143.08585	8.3
145.10141	28.6
147.06496	9.1
147.11681	18.5
149.13254	23.4
151.14856	7.0
155.08595	4.2
155.80438	1.7
156.09492	1.9
157.10147	10.8
159.11713	23.8
160.12311	2.5
161.13274	12.8
163.11237	2.2
163.14848	11.5
165.07600	9.5
165.12743	2.7
169.10194	6.6
171.11714	15.3
173.13275	15.6
175.14871	11.5
177.12833	2.2
177.16440	13.0
179.17979	3.1
181.10130	1.9
183.11732	4.2
185.13298	8.2
186.14091	2.1
187.14870	15.1
189.16399	14.1
191.14359	1.8
191.17989	9.6
195.11755	2.3
197.13393	4.5
199.14865	6.9
201.16396	12.9
203.14386	2.0
203.17937	12.2
205.15965	2.5
205.19591	2.2
208.83652	1.7
209.13330	3.5
211.14868	4.4
213.12949	2.2
213.16458	9.3
215.17955	13.7
217.19485	9.5
225.16463	2.1
227.18056	5.9
229.15999	2.1
229.19554	7.7
231.17523	4.5
231.21089	2.0
237.16402	2.3
239.15271	2.4
239.17824	3.3
239.23814	2.7
241.15927	2.9
241.19514	9.4
243.17450	3.5
243.21136	9.1
245.19116	2.3
251.17998	2.5
253.19641	4.9
255.21028	9.0
257.22687	2.1
269.19089	6.8
269.22763	6.8
271.20694	2.2
283.20706	3.9
283.24094	3.1
295.24255	3.3
297.22653	2.0
297.25586	7.9
309.26019	1.9
341.26541	12.8
365.28238	1.7
377.31860	2.2
385.29553	13.1
393.31354	12.5
393.35623	38.8
403.33676	11.8
421.34781	100.0
422.35477	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.05513	8.4
57.07067	2.7
65.51149	1.4
66.25278	1.2
67.05503	12.8
69.07067	14.5
69.41335	8.7
69.41740	2.7
70.94393	1.3
73.04395	1.3
79.05489	10.5
81.07060	27.2
83.08624	5.7
84.08163	1.6
89.31168	1.3
91.05492	13.2
93.07050	26.5
93.19081	1.3
95.04973	1.7
95.08617	41.2
95.09227	2.0
97.10188	4.1
97.19189	1.6
98.21576	2.4
103.05498	2.3
105.07034	25.6
107.08595	41.1
109.10173	20.0
111.11751	2.8
117.07045	5.1
119.08591	33.7
119.09443	1.7
121.06519	21.9
121.10153	33.0
123.08134	1.7
123.11699	7.5
128.06270	1.5
129.07048	5.5
130.06921	1.4
131.08601	11.5
133.10127	22.8
135.08093	2.0
135.11682	10.9
137.13298	1.6
141.07005	2.1
142.07846	3.5
143.08521	10.1
145.10132	17.5
147.11705	13.5
149.13263	20.9
151.11201	1.9
155.08597	4.8
156.09377	3.6
157.10136	17.3
159.11708	18.3
161.13269	16.0
163.14810	11.6
167.14366	2.0
169.10126	6.8
171.11728	16.9
173.13280	13.0
175.14839	12.3
177.16385	12.2
181.10141	2.9
183.11714	6.8
184.12566	1.5
185.13216	10.0
187.14828	16.2
189.16444	10.9
191.17981	3.3
195.11789	3.0
197.13283	7.7
199.14844	9.3
201.16452	9.3
203.18025	3.3
209.13371	4.5
211.14819	6.8
213.16394	9.8
215.18010	5.5
217.15984	1.8
217.19453	1.6
219.17636	1.6
223.14880	3.3
225.16484	5.2
227.17882	9.6
229.19612	4.2
231.17552	4.3
235.14908	1.8
237.16551	4.1
239.18025	6.8
241.19533	12.2
243.21072	2.7
245.19093	3.3
251.17987	2.5
253.19652	5.3
255.21144	3.6
257.19141	2.2
259.20615	6.4
265.19589	4.6
267.21042	9.3
269.22610	3.0
271.20724	1.5
279.21124	1.8
281.22665	3.4
283.20630	3.5
293.22729	5.0
295.24323	4.1
297.22290	3.5
297.25589	1.7
307.24188	2.7
309.25891	2.0
321.25845	1.7
322.10419	1.6
325.25333	2.9
333.25720	2.4
361.29202	2.8
371.86987	1.5
377.32251	3.5
403.33710	47.9
421.34818	100.0
422.35239	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.05515	6.3
57.03432	1.5
57.07067	2.6
59.39222	0.8
67.05508	10.5
67.38084	0.8
69.07075	11.5
69.48669	6.9
79.05503	7.2
81.07060	20.3
83.04977	0.8
83.08623	4.0
91.05485	7.0
93.07047	13.8
94.77155	0.8
95.04946	1.0
95.08614	40.3
97.10174	2.3
98.21485	1.6
103.05447	1.8
105.07041	15.5
106.55899	1.0
107.08602	20.4
107.09298	1.7
109.10163	20.8
111.08100	2.2
111.11777	1.5
117.07028	3.6
119.08583	19.6
121.06529	11.1
121.10152	19.3
121.68250	0.9
122.16925	0.9
123.08106	1.0
123.11712	5.7
125.09684	1.3
129.06963	2.1
130.07779	1.0
131.08582	7.0
133.10138	13.5
135.11708	8.2
137.09627	1.2
137.13289	4.1
137.14214	0.9
139.11188	1.2
142.07784	1.8
143.08559	5.4
144.09370	1.7
145.10149	12.5
147.11702	8.8
149.13260	11.5
151.14865	3.5
155.08586	3.2
156.09331	2.1
157.10150	10.5
159.11711	13.9
161.13292	8.2
163.14851	12.2
165.12759	2.5
169.10144	5.6
170.10892	1.9
171.11708	15.9
173.13286	12.7
175.14857	9.1
177.16393	15.0
181.10159	1.5
182.10953	1.4
183.11717	8.8
184.12518	1.4
185.13277	12.2
187.11093	0.9
187.14841	12.3
189.12782	1.5
189.16418	8.7
191.14268	1.4
191.18018	2.7
194.11028	1.1
195.11769	3.5
196.12529	2.2
197.13268	14.5
198.14098	1.5
199.14859	8.6
201.16383	8.0
203.14363	1.5
203.18048	2.5
207.11740	2.5
209.13249	6.1
211.14845	6.7
213.16400	6.9
215.17947	5.5
217.19545	1.4
221.13239	1.4
222.14153	1.0
223.14775	6.1
224.15636	1.1
225.16399	4.8
227.17957	7.2
229.16032	1.0
229.19514	4.3
231.17522	2.3
235.14873	2.0
235.23274	1.0
236.15706	1.3
237.16449	2.9
238.17087	0.9
239.17940	11.2
241.19545	9.6
243.17603	1.1
243.21214	3.1
245.19115	3.9
249.16393	1.3
250.17212	1.9
251.18063	3.3
253.19562	4.4
255.21202	2.6
257.19095	2.2
257.22470	1.0
259.20609	9.1
263.18109	1.1
265.19565	18.6
266.20483	1.5
267.21130	4.4
269.19620	1.5
269.22723	7.4
271.20511	1.8
277.19562	1.2
279.21176	2.0
281.22775	3.6
283.20593	29.2
283.23514	1.2
285.22256	2.0
293.22781	2.5
295.24362	3.7
297.22275	1.8
305.22586	1.3
307.24338	2.7
311.23926	1.5
321.25845	2.5
333.25644	7.9
335.27451	1.8
347.27438	1.1
349.28827	2.1
361.29022	1.3
363.30637	1.5
365.28638	1.6
375.30609	3.1
377.32242	0.9
393.31641	2.8
403.33655	43.7
421.34769	100.0
422.34702	1.5
435.30771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46828	1.7
53.03932	2.5
55.05513	13.3
57.07070	4.8
59.09306	1.6
60.93469	1.5
62.12437	1.9
67.05511	18.4
69.07076	18.4
70.27923	5.5
79.05505	13.3
79.63146	1.8
81.07066	46.0
83.08616	8.9
91.05489	15.3
93.07051	30.2
95.08614	62.3
97.10169	7.3
98.97647	1.6
103.05546	2.0
105.07039	29.0
107.08608	46.9
109.10172	27.2
117.07028	7.2
119.08598	30.5
121.06514	19.5
121.10154	42.1
123.08094	2.2
123.11716	11.7
125.09646	3.6
128.06291	3.1
129.07014	4.3
131.08577	11.4
133.10141	28.5
135.11703	19.3
137.13293	6.8
139.11172	1.9
142.07794	3.2
143.08571	17.6
144.09325	2.3
145.10130	22.3
147.11714	17.7
149.13260	23.9
151.14867	3.5
155.08604	4.2
156.09372	4.6
157.10132	19.3
159.11708	22.8
161.13298	15.7
163.14825	17.8
165.12790	1.8
169.10092	10.7
170.10887	4.0
171.11696	25.8
173.13261	20.8
173.14429	1.7
175.14864	13.6
177.16406	39.5
181.10161	3.8
182.10936	2.0
183.11707	13.0
184.12564	3.1
185.13292	17.7
187.14813	17.4
189.16374	14.4
191.17958	4.1
195.11745	3.8
197.13257	12.2
198.14154	3.1
199.14825	15.0
201.16415	11.3
203.18018	6.8
207.11728	3.1
209.13300	5.7
210.14006	2.5
211.14851	7.3
213.16345	9.3
215.18045	7.8
221.13254	3.6
223.14905	7.7
225.16455	6.5
227.17982	18.3
229.19641	6.6
231.17474	3.9
235.14938	3.3
237.16531	5.3
239.17944	8.8
241.19548	17.8
243.21246	5.3
245.18999	8.5
246.33501	1.6
250.17332	2.9
251.18011	5.8
253.19592	4.1
255.21191	3.9
257.19080	2.2
259.20563	16.5
265.19519	30.1
265.22147	2.7
266.20236	2.5
267.17685	3.8
267.21201	6.9
269.22711	11.6
277.19427	2.3
279.21088	3.2
281.22644	1.9
283.20630	26.3
285.22253	2.7
293.22699	4.1
295.24130	8.3
297.21970	2.4
307.23938	2.5
321.25803	2.5
333.25812	9.8
335.27652	3.0
337.28824	1.8
349.28815	2.3
361.29178	3.6
375.30847	2.6
403.33655	75.1
421.34821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07966	2.0
53.03940	2.2
55.05503	9.2
57.07079	13.0
59.91711	1.9
67.05508	11.4
69.07086	13.8
70.76912	5.4
71.08599	2.3
73.02888	2.5
73.57244	1.7
76.35500	1.8
78.24486	1.6
79.05496	8.8
81.07070	36.5
83.08612	6.6
83.49511	2.2
89.06009	2.8
91.05485	15.6
93.07054	25.9
94.83137	1.7
95.04948	2.0
95.08048	3.3
95.08614	40.6
97.10197	4.0
103.05507	2.7
105.07027	24.5
107.08593	34.6
109.10175	22.8
117.06977	2.4
119.08580	21.4
119.81956	2.0
121.06525	23.2
121.10158	29.3
123.11713	7.5
131.08549	8.8
133.08601	2.3
133.10138	21.3
135.11684	13.2
137.13263	4.4
143.08575	10.8
145.10132	19.8
147.11694	16.7
149.13261	18.2
151.14842	3.7
155.08559	3.3
156.09279	2.6
157.10126	14.9
159.11697	18.9
161.13229	7.2
163.14874	12.6
167.08524	2.3
169.10126	4.5
170.10904	2.9
171.11649	16.6
171.13814	17.2
172.14133	16.0
173.13271	12.7
175.14850	8.4
177.16400	28.4
182.10973	2.6
183.11734	6.6
185.13289	12.3
187.14836	12.5
189.16400	9.1
191.14340	2.1
191.18022	3.4
195.11734	5.1
197.13301	7.2
199.14818	9.0
201.16464	11.3
203.18059	2.6
209.13370	5.2
211.14825	5.1
213.16455	7.0
215.17973	7.3
222.14136	2.1
225.16441	3.5
226.17093	2.3
227.18042	9.7
229.19481	3.8
231.17471	2.5
235.14879	2.2
236.15561	3.0
237.16443	4.5
239.15442	2.2
239.17996	5.5
241.19485	11.3
243.21051	2.9
245.19115	8.4
251.18001	4.8
253.19583	5.5
255.21210	3.4
257.22769	2.3
259.20599	12.0
263.18167	2.5
265.19531	16.5
267.21118	8.0
269.22668	4.8
279.21179	4.0
281.05264	2.0
281.22668	3.4
283.20581	19.3
285.22125	2.2
293.22873	2.4
295.24304	7.0
297.08078	2.4
307.24301	2.6
307.58212	2.2
311.23972	3.3
322.99918	2.1
333.25870	5.5
335.27359	2.3
375.30295	2.6
403.33646	54.2
406.21255	3.2
421.16962	4.3
421.23810	10.9
421.34705	100.0
422.35068	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05516	7.7
57.07082	5.7
65.85979	1.1
67.05508	17.9
68.47451	1.2
69.07071	18.0
69.93385	1.3
70.83572	3.1
71.72600	1.3
76.13834	1.1
79.05493	10.1
81.06580	2.5
81.07061	39.4
81.07526	2.8
83.08617	7.9
88.17754	1.1
89.06034	1.7
91.05484	13.1
93.07043	23.3
95.08612	76.9
97.10170	4.1
101.35867	1.1
103.05491	1.9
105.07041	27.2
107.08607	30.1
109.10163	37.1
117.07014	4.2
119.08594	31.0
119.09456	1.5
121.06509	5.2
121.10164	24.3
123.11722	15.2
125.13233	1.3
129.07028	3.8
131.08585	12.7
133.10133	19.4
135.11711	16.0
137.13272	14.2
140.10742	3.2
143.08586	10.5
144.09306	1.7
145.09050	2.1
145.10143	25.6
147.11702	18.5
149.09691	1.8
149.13277	20.6
151.14835	7.9
155.08582	3.3
156.09343	1.7
157.10156	10.9
157.13364	2.1
158.10847	1.5
159.11700	14.9
160.12495	1.2
161.13278	15.6
163.14862	8.2
165.16495	1.8
169.10185	5.7
171.11682	11.8
173.13266	14.2
175.11188	1.4
175.14851	11.6
177.16437	13.0
179.17915	2.1
181.10170	3.3
183.11624	3.1
185.13287	8.0
187.14844	9.0
189.16402	12.0
191.14345	1.4
191.17912	9.3
195.11801	2.2
197.13326	3.3
199.14784	6.8
201.16431	10.4
203.17990	13.6
205.15881	2.4
211.14796	2.1
213.16373	10.7
215.17950	11.2
217.19580	9.7
224.36789	1.3
225.16449	3.3
227.14345	2.3
227.17979	5.0
229.15845	1.5
229.19504	7.9
231.17517	3.4
231.21127	2.6
237.16386	2.0
239.18069	3.0
241.15837	3.0
241.19499	10.5
243.17548	3.9
243.21106	8.3
245.19087	4.3
251.18056	3.6
251.87196	1.4
253.19623	4.4
255.21124	9.0
257.19055	1.7
265.19550	2.9
267.21207	3.7
269.19577	6.0
269.22498	8.5
271.20697	3.5
283.20648	4.0
283.24094	1.7
285.22018	1.5
295.24350	3.8
297.22556	2.2
297.25882	7.9
309.25787	2.9
311.23755	1.6
323.27417	1.7
325.25464	2.0
337.25269	1.9
341.26651	12.6
347.27243	1.4
393.31335	16.1
393.35300	38.4
394.35489	1.7
403.33691	9.3
421.34723	100.0
422.35013	3.5
447.73792	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05515	4.5
57.07070	2.6
59.14512	0.8
67.05513	10.4
68.11189	0.9
69.07072	9.9
69.33099	4.6
69.33508	2.7
71.02980	1.0
71.05013	0.9
79.05492	5.5
81.07062	19.6
83.08626	5.2
85.06525	0.9
89.06039	1.5
91.05480	8.9
93.07047	13.3
95.04979	1.0
95.08614	30.6
97.10184	1.9
98.21367	3.1
103.05424	1.1
105.07041	13.7
107.08601	23.6
109.06515	1.2
109.10166	17.4
117.07024	2.6
119.08587	18.6
121.06524	12.3
121.10156	18.6
123.08100	1.1
123.11720	7.2
125.09657	1.5
125.75587	0.8
129.07037	1.9
131.08574	7.2
133.08646	1.9
133.10139	13.3
135.11690	9.7
137.13229	2.4
141.06969	1.1
142.68465	0.9
143.08594	6.3
145.10124	10.3
147.11703	6.1
147.13506	0.8
149.13263	10.0
151.14803	2.6
155.08568	2.7
156.09340	2.4
157.10141	11.3
159.11693	11.9
161.13258	11.6
163.11166	0.9
163.14833	12.7
165.12714	1.5
169.10165	7.8
170.10855	1.4
171.11716	12.6
173.13287	10.5
175.14818	9.5
177.16429	8.8
179.14291	1.4
181.10104	1.1
182.11015	1.0
183.11700	6.4
184.12558	1.2
185.13277	8.9
187.14836	6.4
189.12709	1.3
189.16336	5.4
195.11699	2.6
196.12395	2.1
197.13316	11.3
198.14101	1.2
199.14749	5.8
201.16406	5.6
203.14326	1.2
203.18016	2.0
207.11729	1.8
209.13307	3.5
211.14835	3.8
213.16315	4.3
215.17953	4.4
221.13181	2.0
222.14099	1.1
223.14893	3.7
224.15633	1.1
225.16356	5.4
227.18031	7.7
229.19522	2.9
235.14832	2.4
237.16318	2.4
239.17947	12.5
241.19495	9.7
243.21153	2.1
245.19095	3.6
251.18005	2.3
253.19536	2.8
255.21106	1.9
257.22736	1.1
259.20624	6.6
261.22116	1.3
265.19513	12.7
267.21182	5.3
269.22714	3.8
271.20816	1.2
273.22195	0.9
277.19568	1.0
279.21069	2.8
281.22717	3.1
283.20602	14.4
283.24097	2.6
285.22128	2.6
289.62164	1.1
293.22748	2.5
295.20932	0.9
295.24142	2.0
297.21994	1.1
299.23868	1.2
307.24124	1.4
309.25833	1.2
311.23822	1.2
333.25909	4.4
335.27444	1.8
347.27390	2.1
349.28937	1.9
351.26385	0.9
361.29181	1.4
377.32129	1.1
403.33597	47.8
421.34698	100.0
422.35049	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
53.74690	1.3
55.05511	9.1
57.07070	3.7
60.58350	1.3
63.44616	1.4
64.80941	1.5
67.05502	12.5
69.03432	2.7
69.07075	12.3
69.51415	2.8
69.51814	10.4
72.76287	1.3
74.19074	1.2
79.05489	8.0
80.16445	1.3
81.07065	29.6
83.05006	1.7
83.08619	5.1
91.05489	11.6
93.07048	23.7
94.14826	1.6
95.04982	1.8
95.08611	37.6
97.06528	3.1
97.10149	3.6
99.08139	1.9
105.07032	21.0
107.08603	38.3
109.06505	2.0
109.10175	23.7
111.08102	2.0
112.60435	1.4
117.07037	3.5
119.08590	24.8
121.06506	13.1
121.10153	32.4
123.08114	2.9
123.11693	11.3
125.09666	2.4
129.07059	2.6
131.08582	13.4
133.10143	22.2
135.11710	12.3
137.09668	1.5
137.13258	2.8
142.07872	1.7
143.08571	5.3
145.10141	19.8
147.11690	16.0
149.09630	1.6
149.13268	23.4
151.11232	3.0
151.14874	1.3
155.08577	1.7
156.09383	4.1
157.10135	15.4
158.10851	1.6
159.11700	22.5
161.09645	1.6
161.13249	12.9
163.11319	1.9
163.14842	14.7
165.12761	17.5
169.10181	4.8
170.10931	2.0
171.11700	10.8
173.13239	14.1
175.11191	1.6
175.14848	8.2
177.16389	17.2
183.11739	4.3
185.13312	11.1
187.14870	12.1
189.16455	7.6
191.17949	8.8
195.11765	2.3
197.13364	6.6
199.14856	9.0
201.16374	7.4
203.14554	1.4
203.18013	6.2
209.13383	1.5
211.14903	4.0
213.16360	7.0
215.18010	7.6
217.15927	2.1
217.19519	2.9
225.16409	2.4
227.18002	6.7
229.19446	4.0
231.17471	3.2
237.16354	2.8
239.18051	3.7
241.19582	5.9
243.21121	2.4
245.18996	9.6
247.21068	1.7
253.19574	3.4
255.21172	2.8
257.19125	3.3
259.20648	10.8
265.19678	3.5
267.21170	3.5
269.22693	7.1
271.20569	3.2
273.22269	1.8
283.20596	26.5
283.24167	4.0
290.25745	1.5
295.24274	3.2
309.25739	2.8
311.23633	2.4
323.27380	4.9
335.27567	1.9
347.27374	1.9
363.30463	3.4
403.33710	11.9
421.34787	100.0
422.34933	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	421.3678
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.05500	11.5
57.07060	7.6
59.06616	2.9
61.24519	2.5
66.92028	2.6
67.05489	7.7
69.07084	13.3
71.08635	6.0
71.23460	4.4
72.82541	2.5
79.05483	3.7
80.04958	2.4
81.07059	11.0
83.04979	6.0
83.08604	8.4
83.77003	2.5
85.10175	4.2
88.85571	2.4
89.06014	4.8
93.06987	5.7
95.08611	13.6
97.10195	4.3
102.44656	2.5
107.08588	5.0
108.54962	2.4
109.06515	3.0
109.10140	6.4
111.11686	2.8
119.08594	5.0
121.06500	7.0
121.10191	3.8
123.08067	7.2
123.11690	5.4
133.08615	3.0
133.10109	6.2
137.05977	8.1
139.07565	18.1
145.10103	4.5
149.13289	3.6
151.07579	7.0
155.07053	9.5
159.11562	2.9
165.09155	7.4
175.11244	4.1
179.10667	6.2
207.13857	6.0
239.15047	4.8
331.84537	2.5
375.36075	4.2
403.35721	100.0
421.36765	23.2
438.94620	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72165	1.7
55.05300	2.1
55.05514	21.2
57.03424	2.6
57.07077	21.5
67.05511	8.6
69.07069	26.5
69.31759	17.0
71.08627	13.0
71.97439	1.7
79.05499	6.2
81.07066	16.8
83.04988	30.4
83.05458	2.6
83.08629	17.8
85.02902	2.1
85.10186	7.9
89.06049	3.9
91.05502	6.2
93.07045	10.0
95.08614	18.6
97.10174	10.6
99.47663	1.8
105.07033	9.3
107.08599	9.9
109.06526	6.3
109.10162	12.5
111.08078	3.5
111.11732	6.0
119.08600	11.5
121.06533	2.7
121.10175	7.5
123.08072	6.4
123.11732	6.0
125.06038	1.9
125.13274	2.4
127.07587	2.0
131.08623	2.6
133.10162	4.4
135.08086	7.6
135.11671	4.4
137.06003	16.8
137.09566	4.5
137.13307	4.0
139.07571	5.0
145.10155	1.8
147.11708	4.9
149.09689	3.8
149.13313	5.7
149.94814	2.2
151.07602	6.1
151.11182	2.1
155.03519	2.0
155.07069	7.5
161.09615	10.9
161.13307	6.4
163.11143	2.3
165.09123	4.3
165.12862	2.7
171.11847	3.4
175.11203	8.4
175.14868	4.2
179.10719	3.4
179.14333	2.7
189.12730	9.0
192.05437	1.8
193.12338	2.8
201.16368	2.2
207.13870	3.2
211.86198	1.8
287.29788	1.7
375.36398	14.0
385.34683	10.2
403.35782	45.5
421.36862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3678
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
51.92746	0.7
53.03938	1.6
55.01888	1.3
55.05267	0.7
55.05513	7.8
55.29309	0.6
57.03417	0.8
57.07087	4.1
67.05513	10.1
69.06721	1.1
69.07072	16.6
70.15854	2.5
71.08630	2.7
72.12560	0.7
79.05474	1.1
81.07063	4.6
83.08627	9.0
85.06540	1.3
85.10195	1.6
89.06039	1.2
91.05466	6.6
93.07050	33.0
95.04980	1.8
95.08613	21.3
97.06542	0.9
97.10185	3.8
98.20817	0.8
105.07048	2.6
107.08603	6.6
109.10162	4.4
111.08088	17.2
111.11713	1.7
119.08574	3.5
121.06497	9.7
121.10167	3.2
123.08120	1.1
123.11699	1.7
125.06033	0.8
125.13296	1.0
127.07576	2.5
131.08562	1.0
133.10153	3.2
134.25386	0.7
135.08078	0.8
135.11659	1.1
137.09615	1.1
137.13281	1.2
139.07533	21.7
145.10170	1.7
147.11739	1.3
149.13303	1.9
151.11224	1.2
153.09120	12.3
157.08661	2.1
157.10132	0.9
159.11700	1.5
161.13300	1.4
163.14919	0.8
165.12834	0.7
167.10674	8.5
169.10252	1.0
171.11708	0.9
173.13283	1.3
177.12843	0.8
181.12233	5.6
185.13301	0.9
187.14874	1.2
191.17938	0.7
193.12256	1.0
195.13791	5.0
199.14743	0.7
207.13840	2.3
209.13570	0.9
209.15427	3.0
211.92606	0.8
223.16997	2.9
237.18558	1.5
250.22440	0.8
251.20113	0.9
265.21857	1.0
269.22708	1.7
279.23215	1.0
279.27783	0.8
385.34897	0.8
403.30814	1.2
403.35840	21.5
421.36829	100.0
422.37207	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	422.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01869	0.8
56.96571	1.9
57.03438	2.4
61.02932	2.0
63.19154	0.4
68.05028	0.8
69.03435	5.3
69.46197	2.7
70.06586	0.8
71.04998	2.3
72.69743	0.4
73.02912	1.7
74.00676	0.8
76.02209	0.4
81.03413	2.0
84.08130	0.7
84.96064	0.6
85.02909	13.0
85.06567	0.4
86.03213	0.4
87.04463	1.3
89.03920	1.1
91.03958	0.6
91.05466	1.1
95.04992	0.5
97.02898	5.4
97.26960	0.3
98.97595	6.8
99.04464	0.8
100.02191	0.6
101.02485	0.4
102.96160	0.4
107.04937	0.7
109.02870	1.6
110.97559	1.1
111.04485	0.7
112.99159	0.4
115.02154	2.0
115.03890	0.8
116.53517	0.4
116.98650	2.0
117.03400	1.2
119.01908	0.8
119.04932	1.2
120.01174	0.9
121.06548	0.5
122.03615	0.4
124.99142	0.4
125.68765	0.3
127.03922	2.8
127.99193	0.4
128.98621	1.4
129.05490	1.0
131.04927	1.0
133.05009	0.4
134.99635	0.6
135.04424	1.5
137.05977	4.5
143.00299	0.8
143.01630	17.4
145.01729	0.4
145.02731	0.8
145.04967	1.5
146.02734	0.7
146.99678	0.6
147.04419	2.3
148.03841	0.5
149.01160	0.4
151.07625	0.4
158.99677	1.2
161.01151	0.5
163.03922	7.9
167.07051	0.6
171.01120	100.0
172.01411	0.6
177.00699	1.2
177.05475	1.1
179.07062	1.6
185.02840	0.5
187.04390	0.8
189.00760	0.5
197.03197	0.5
201.00775	0.5
203.07768	0.4
205.05556	1.1
211.02783	0.7
219.01799	2.0
221.05101	0.5
229.03850	0.7
233.07607	0.5
234.05794	0.6
234.07924	0.5
235.02791	0.6
236.06206	0.4
237.02740	2.4
239.04355	1.5
240.08707	0.5
241.04005	0.5
242.07330	0.4
251.06793	4.4
251.56975	0.6
257.05991	0.4
260.05872	17.0
289.05984	0.4
307.06931	0.8
355.07092	1.2
373.08121	1.2
386.08908	0.6
422.09250	2.1
423.14633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44406	0.7
67.05515	0.7
69.03418	1.4
70.06609	1.0
72.08173	0.8
74.09719	2.1
79.05475	1.2
81.07083	0.9
85.02910	1.7
91.05485	1.6
95.04981	8.5
97.02888	1.3
98.21481	2.1
107.08643	0.9
109.06488	1.2
121.06521	2.3
123.04429	3.4
133.02780	0.8
137.05986	2.5
145.05003	0.6
149.09621	0.8
150.76888	0.7
151.03923	47.4
151.11121	0.8
152.75563	0.7
160.83508	0.7
165.05493	100.0
167.17686	0.7
183.06528	1.6
193.05006	2.9
207.06554	3.4
207.10231	1.2
207.13861	2.2
211.05977	1.9
225.07608	13.6
225.14799	1.0
243.08731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	2.7
57.12259	0.3
65.65044	0.3
69.07095	0.3
69.83010	1.7
69.96691	0.3
74.06084	8.6
81.07065	0.4
86.09711	100.0
90.16142	0.3
91.05527	0.8
97.02888	0.3
98.06062	1.3
99.05592	0.5
103.05489	0.8
107.05007	0.3
116.07111	0.9
120.08115	12.8
121.06514	0.6
126.05524	5.8
128.98634	0.3
131.04941	0.7
137.05972	2.2
138.06355	0.7
139.12360	0.4
144.06581	0.7
165.05537	0.7
166.08643	5.9
187.14503	0.6
195.11296	3.0
211.14455	1.2
239.13914	15.8
250.06551	0.3
253.30934	0.3
255.03262	0.3
257.15158	0.9
272.14941	0.5
279.17050	11.3
338.10880	0.5
360.19183	2.0
404.21872	0.8
423.23196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1265
Annotation	Plicatic acid
Peak:m/z	Relative Intensity
69.03457	1.0
71.56783	0.9
82.53178	0.8
82.70834	1.1
85.02912	1.8
90.64885	0.8
106.52892	0.9
157.03476	1.4
408.45389	1.0
423.12610	100.0
424.12692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01860	0.9
55.15932	0.6
65.03931	1.1
66.04708	0.8
67.05495	1.5
68.46425	0.6
68.99809	3.7
69.03448	0.8
69.47935	4.8
79.05515	3.0
81.03416	0.9
81.07075	3.9
82.53143	0.7
85.02892	0.8
85.35899	0.6
91.05486	3.4
93.03369	0.9
93.07039	1.4
94.04195	1.0
95.04968	1.7
97.02884	1.1
98.20718	1.1
104.21323	0.6
107.04939	1.9
109.06537	5.8
119.04948	1.6
119.08588	0.9
119.17509	0.6
121.02856	1.8
121.06545	3.0
122.03613	3.5
122.06842	1.0
123.04455	0.6
137.05989	44.4
139.03918	0.9
147.04411	1.3
149.02303	1.4
149.05969	0.9
153.05467	1.4
163.03893	0.7
165.05492	100.0
166.05804	1.1
167.03415	0.7
167.07076	1.7
180.06505	1.0
181.04971	4.8
191.03401	1.8
209.04443	1.5
223.06049	2.6
295.24084	0.6
373.08975	0.7
398.61731	0.7
399.11957	2.8
399.62100	0.8
402.35690	0.7
423.13913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
54.30901	2.4
61.02937	3.7
67.05503	5.0
69.03425	8.6
70.06598	5.6
70.41348	2.3
71.04994	12.0
71.58537	3.2
77.69725	2.6
81.03423	5.4
83.04985	5.4
84.08138	3.5
85.02904	32.2
91.05447	5.8
95.04974	42.8
97.02924	12.2
98.97573	9.7
107.01324	2.5
109.02857	4.1
110.97573	4.6
111.04415	3.3
116.98663	2.9
119.04976	5.9
121.06461	3.4
123.00771	8.0
123.04431	21.9
125.01466	3.7
125.02354	66.3
127.03937	5.2
128.98587	3.4
129.05470	3.2
130.19797	2.6
131.04979	3.4
135.04486	3.2
137.06015	11.7
139.03909	100.0
141.05484	6.2
145.04973	2.8
151.03915	43.0
151.07532	3.2
158.99672	3.3
163.03893	6.6
165.05481	32.5
167.03394	9.1
167.06958	2.8
169.04919	8.0
175.03889	3.0
181.04994	4.8
183.06494	12.2
187.04437	4.1
193.05013	8.2
211.02980	4.1
211.06026	93.0
219.01787	3.8
225.07593	56.4
229.07018	17.6
237.02840	3.8
243.08650	26.8
251.06560	2.7
273.06213	3.1
276.82037	2.7
306.44479	2.5
322.81259	2.8
355.06967	6.1
373.08200	6.9
423.12292	3.1
423.17685	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	423.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88898	1.9
53.03938	2.6
56.18969	1.9
57.03436	2.6
60.25701	1.8
67.05499	4.9
69.03426	3.1
69.82941	10.7
77.28155	2.2
80.42946	2.2
85.02911	12.8
87.52144	2.1
91.05482	4.0
93.07076	2.3
95.04967	43.5
97.02882	7.2
98.21543	2.6
109.06486	4.2
111.04432	2.5
113.05981	2.7
119.04926	2.6
123.00782	5.0
123.04420	19.3
125.02353	81.5
137.05962	6.6
139.03908	91.3
141.05441	4.5
151.03903	38.3
151.04990	4.1
163.03847	2.4
165.05482	33.0
167.03339	4.9
169.04985	7.0
181.05016	4.4
183.06531	8.8
184.10028	2.3
193.04941	10.0
199.01541	2.3
211.06017	100.0
212.06351	2.5
217.80928	2.1
225.07573	56.5
229.07098	15.4
243.08676	26.1
244.08905	2.1
309.92349	2.0
413.30527	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1629
Annotation	Calealactone B
Peak:m/z	Relative Intensity
50.47190	1.0
53.34382	1.0
53.55590	1.2
61.76808	0.9
69.98890	4.6
77.41343	0.9
90.91964	1.1
98.20940	2.5
136.94052	5.3
151.41476	1.0
189.89615	1.1
262.57822	1.1
423.04947	7.1
423.16711	100.0
424.11768	1.3
424.16721	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
56.43692	0.9
59.01677	0.9
61.01157	5.7
69.03451	1.0
71.16051	1.7
71.16389	1.3
72.04526	8.8
73.02899	1.3
75.32760	0.9
78.03796	15.5
81.03375	1.1
83.04974	1.5
85.02916	7.4
85.06562	1.4
86.06072	1.6
88.02223	6.4
98.02421	2.4
99.04481	5.6
99.05575	2.6
102.03098	1.3
102.03769	18.8
103.02176	2.8
103.03954	12.4
104.01714	1.4
107.83464	0.9
109.02886	3.0
113.06019	1.7
114.03777	2.6
114.05524	1.5
120.04800	4.6
124.07600	0.9
126.05519	16.7
127.03922	5.3
130.80116	1.3
131.06392	9.6
132.04800	13.2
141.12468	0.9
142.08665	4.2
147.05928	1.3
149.07451	44.7
152.07114	1.0
154.08659	1.9
159.05870	2.7
163.89313	1.0
175.05382	2.9
178.28561	1.0
180.06578	11.4
184.09726	1.6
184.22815	0.8
198.07637	3.1
199.62460	1.0
216.08723	1.4
231.11600	3.6
233.09761	1.0
257.09613	1.0
261.12717	3.5
270.02451	0.9
275.10638	2.8
293.11685	100.0
294.11832	1.3
405.16919	34.3
406.17163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03956	11.1
55.01856	6.7
55.05513	27.8
57.03431	16.0
57.07072	7.5
67.05512	77.6
69.03449	27.3
69.07082	37.2
71.04993	7.8
71.39571	6.4
79.05502	51.0
81.03420	26.4
81.07064	100.0
83.04983	11.8
83.08620	15.3
84.08160	4.8
85.02908	13.3
91.05468	46.7
93.07056	65.2
95.04985	17.6
95.08616	80.2
97.02888	15.7
97.06532	8.7
97.10187	8.2
101.05969	5.1
105.07036	48.8
107.04951	6.9
107.08596	53.0
109.06512	5.6
109.10163	41.2
109.75457	3.9
111.04449	7.5
111.08079	5.4
112.11312	5.5
112.73565	4.9
113.00040	19.5
117.07048	19.3
119.08602	46.9
121.06505	19.8
121.10173	40.0
123.04411	5.1
123.08089	12.9
123.11718	15.7
125.09602	5.1
127.03896	4.9
129.07024	11.7
131.08583	34.5
133.10133	34.0
135.08063	11.5
135.11731	29.6
137.09695	6.6
137.13258	7.8
143.08568	14.0
145.10147	28.1
147.11703	26.7
149.09602	8.6
149.13278	20.8
155.08548	7.9
157.10124	20.5
159.11681	31.2
161.13161	20.4
163.14836	8.3
169.02666	12.7
169.10120	11.8
171.11768	13.1
173.13309	18.5
175.14832	11.7
179.14326	10.1
183.11728	7.8
185.09558	7.4
185.13274	10.4
187.14862	12.5
189.16411	5.1
195.11887	5.1
197.09772	5.3
197.13283	5.7
199.14885	9.1
213.16428	9.6
215.14191	5.2
215.17905	6.0
233.18945	4.6
241.19536	8.4
243.21103	5.2
259.20645	15.1
261.22195	16.9
277.21658	8.9
281.04785	4.9
287.23404	4.4
291.23248	7.0
299.75491	4.2
301.21640	5.0
303.23056	16.3
311.25739	33.0
319.22830	6.7
327.23251	5.9
333.18829	5.6
341.24554	8.1
351.23291	9.0
359.26093	5.4
369.24234	30.5
387.25439	33.9
405.26328	38.0
423.27252	16.7
423.31989	10.3
423.36716	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	423.2746
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.02388	3.3
53.03951	6.2
55.01871	8.9
55.05515	31.3
56.96581	3.2
57.03432	7.3
57.07071	7.3
59.78556	2.9
60.73128	2.8
65.03927	3.9
66.94705	2.8
67.05508	78.2
69.03425	24.3
69.07076	40.2
71.04990	7.7
73.02888	3.8
79.05495	69.3
81.03429	38.6
81.07063	100.0
83.04986	10.3
83.08624	18.0
85.02907	12.1
87.04537	3.2
90.71340	2.9
91.05486	56.6
93.07049	84.7
95.04971	12.7
95.08613	94.0
97.02895	12.1
97.06542	6.7
97.10163	7.0
99.04484	11.9
103.05482	3.2
105.07041	72.5
107.04975	5.7
107.08601	82.0
109.06544	9.5
109.10165	52.6
111.04468	10.6
111.08122	5.6
117.07028	22.0
119.08585	69.9
121.06508	12.2
121.10149	57.6
123.08094	5.6
123.11761	15.6
124.77498	3.3
127.03905	6.8
128.06241	4.7
129.05571	3.0
129.07005	16.8
131.08578	42.7
133.06519	8.8
133.10139	49.5
135.08078	11.4
135.11687	39.8
137.05948	4.5
137.09625	5.2
137.13274	7.1
141.06999	6.2
143.08592	25.0
145.06490	4.6
145.10150	36.2
147.08037	6.1
147.11719	37.7
149.09573	7.7
149.13275	26.5
151.11201	7.0
155.08572	10.1
157.10165	18.7
158.10884	3.4
159.08087	4.9
159.11685	37.8
161.09595	7.9
161.13257	26.2
163.11247	3.8
163.14835	11.8
165.12660	3.5
169.10150	8.9
171.11705	19.2
173.09607	7.1
173.13266	29.3
175.11148	4.9
175.14807	16.5
177.05458	4.9
177.12787	4.8
177.16405	5.6
179.14359	3.3
181.10194	3.1
183.11694	11.3
185.09567	3.4
185.13278	14.5
187.14838	19.8
189.12764	7.6
189.16454	16.5
191.18015	8.7
192.11720	3.0
195.11736	5.9
195.13766	4.0
196.00305	3.1
197.13258	7.2
199.11171	6.6
199.14865	10.8
201.12775	4.5
201.16389	10.2
203.14386	4.8
203.17859	7.7
209.13306	4.8
211.14851	5.3
213.12830	7.3
213.16345	7.5
215.14447	4.7
215.18010	8.4
217.19489	3.6
223.14908	4.6
223.16927	4.4
227.17838	3.3
229.02153	3.0
231.17375	4.0
239.17909	5.1
241.19530	5.9
243.21065	4.5
249.14832	4.4
249.87137	3.3
255.21143	6.3
259.20627	13.8
261.18661	6.3
261.22205	14.8
269.03497	3.7
269.19202	4.6
269.22668	4.6
271.20502	3.9
277.21631	6.9
285.22134	3.6
287.19891	3.3
289.21588	5.1
291.23224	6.9
301.21613	8.1
303.23254	19.4
313.21600	5.4
315.23334	6.6
331.22546	4.2
341.24673	5.7
351.23181	8.8
369.24222	29.2
387.25339	24.9
405.26382	30.9
405.31500	14.0
423.27344	17.0
423.31931	51.2
423.37149	8.2
441.35394	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.7
53.03945	11.2
55.01870	6.7
55.05514	33.0
57.03426	6.8
57.07063	3.2
58.06802	2.1
61.44558	2.4
63.94721	1.9
63.99315	2.2
65.22800	2.2
67.05510	86.7
68.15900	1.9
69.03441	22.3
69.07070	26.3
69.21465	13.4
69.21890	10.0
70.16468	2.1
71.01360	3.8
71.04983	10.4
73.02905	5.1
77.03917	2.8
79.05499	92.1
79.05960	5.7
81.03421	18.3
81.07061	100.0
83.04971	6.1
83.08626	14.9
85.02908	4.6
85.06524	2.7
91.04961	3.9
91.05491	54.0
93.07049	99.1
95.04961	10.2
95.08614	93.2
95.09106	1.3
95.09241	2.9
97.02284	5.2
97.02898	96.7
97.06544	3.7
97.10172	7.7
99.04462	26.5
99.08083	3.8
105.07043	49.6
107.04932	3.1
107.08600	66.0
109.02899	13.6
109.06537	7.0
109.10165	48.4
111.04482	4.1
111.08065	3.5
111.11707	2.7
113.09631	2.8
117.07015	14.8
119.08595	51.9
121.06474	4.5
121.10156	68.3
123.08101	6.7
123.11694	17.2
127.03923	35.2
129.07014	5.4
131.04919	3.4
131.08571	34.2
133.06400	2.2
133.09119	2.5
133.10136	47.7
135.08043	3.2
135.11693	47.7
137.09607	3.8
137.13252	3.4
141.06949	2.6
143.08556	10.6
144.06631	2.1
145.04913	6.3
145.06493	3.4
145.10130	37.2
147.07961	4.5
147.11705	32.6
149.09650	3.7
149.13266	21.1
151.11218	4.1
155.08554	4.8
156.31154	2.2
157.10123	10.3
159.11711	31.6
161.09630	3.0
161.13277	25.6
163.11162	3.0
163.14873	13.2
165.12708	3.0
169.10110	7.0
171.11696	10.1
173.09602	3.2
173.13275	30.8
175.11177	4.1
175.14806	17.6
177.16391	5.9
179.14337	6.3
183.11700	6.5
185.13260	9.5
187.11131	3.1
187.14839	21.8
189.16429	15.5
191.14343	5.5
191.17899	4.8
193.15727	2.7
195.11639	2.7
197.13225	6.8
199.11151	3.2
199.14792	7.4
201.12723	11.6
201.16335	12.3
203.18039	7.9
205.15927	2.6
207.17496	3.7
209.13251	3.2
213.12712	3.2
213.16397	6.0
215.14368	3.4
215.17891	5.8
217.15901	2.3
217.19577	2.6
225.16357	3.9
229.19365	3.8
239.17952	2.9
241.15903	3.0
241.19563	6.8
243.21002	14.1
255.21056	5.1
257.19217	2.7
259.20575	12.2
261.22156	50.4
267.20889	3.0
269.22595	3.2
273.22086	3.4
279.23312	2.8
311.23749	2.9
313.21509	3.3
329.24982	5.3
339.23123	9.9
357.24249	10.4
377.32025	2.8
387.25534	3.8
405.26428	2.6
405.31302	9.7
423.27396	4.2
423.32108	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40125	0.5
53.03934	1.1
55.01872	0.9
55.05515	5.8
56.48080	0.6
57.03434	1.6
57.07080	4.9
65.03951	0.6
67.05167	1.1
67.05505	14.9
69.03420	1.2
69.07069	9.6
69.34654	5.1
71.04968	0.9
71.08635	4.4
72.80273	0.6
79.05495	9.1
81.03428	1.5
81.06590	1.1
81.07063	20.4
81.28056	0.5
83.04980	1.5
83.08623	4.7
85.02932	0.6
85.06538	3.4
91.05486	6.6
93.07050	13.9
95.04977	2.1
95.08611	23.5
97.02916	1.7
97.06541	2.2
97.10172	2.6
99.04471	1.0
99.08105	2.6
105.07037	11.0
105.07684	1.1
107.04986	0.7
107.07867	0.9
107.08600	16.6
109.02886	0.8
109.06525	14.7
109.09451	1.0
109.10166	13.6
111.08089	2.0
112.11272	1.2
117.07025	2.3
119.08577	11.4
121.03087	0.6
121.06526	2.8
121.10157	11.6
121.11037	1.0
122.07310	1.3
123.08078	30.1
123.11716	4.4
126.08128	0.6
127.03968	1.5
129.07021	1.3
131.08554	5.4
133.10143	11.2
135.08047	6.1
135.11711	7.7
137.09641	2.1
137.13268	2.5
143.08571	1.4
145.10121	7.1
147.11700	7.8
149.09663	2.4
149.13237	3.9
151.11191	0.9
157.10144	1.6
159.11705	7.2
161.09612	0.7
161.13277	5.3
163.11240	0.8
163.14854	2.4
165.12779	1.2
167.14449	0.8
169.02655	0.7
169.10181	1.1
171.11681	1.5
173.13240	4.4
175.14842	4.0
177.12729	3.0
177.16440	2.4
179.14320	67.2
180.14685	1.2
185.13274	1.7
187.14832	4.6
189.16386	4.4
191.14334	1.2
191.18002	2.0
193.15924	2.0
197.13351	0.8
199.14853	1.3
201.16357	4.7
203.18007	3.4
205.15907	3.2
205.19704	0.9
207.17578	1.1
211.14819	1.0
213.16412	1.5
215.17949	4.4
217.19582	2.3
219.17470	1.1
227.17999	1.4
229.19585	2.1
231.20879	0.7
233.19092	2.3
239.18063	1.2
241.19545	1.1
243.21126	1.1
253.19495	0.7
255.21136	0.8
261.22223	1.5
267.21329	0.8
269.22751	2.5
271.20746	0.6
275.20139	2.4
283.24292	0.9
295.24347	0.6
303.26816	2.7
311.25867	1.0
313.25241	0.8
331.26324	29.3
349.27567	2.6
367.24585	0.9
405.30524	1.1
405.35040	3.3
423.31155	100.0
423.36383	21.2
424.31354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.1
57.03428	2.4
57.07075	3.9
67.05504	9.8
69.03425	0.9
69.07066	9.1
70.38026	0.6
71.04997	1.4
71.08628	2.3
73.48461	0.6
79.05501	6.4
81.07060	16.1
83.04985	0.8
83.08618	3.5
85.06551	2.1
91.05472	6.9
92.74021	0.7
93.07052	10.4
95.04979	1.2
95.08611	22.0
97.02907	2.0
97.06523	1.7
97.10161	1.6
98.21495	2.5
99.08099	1.9
103.05440	0.9
104.69617	0.7
105.07030	9.1
107.08601	15.4
109.06524	14.1
109.10163	9.2
111.08078	2.1
111.11683	0.7
112.50576	0.6
117.07033	1.9
119.08596	10.5
121.06516	2.4
121.10158	8.3
122.07323	0.8
123.08074	35.1
123.11712	4.9
125.09637	0.7
127.03907	0.7
127.99129	0.8
131.08591	3.1
133.10153	7.6
135.08060	6.2
135.11700	6.0
137.09567	1.5
137.13268	2.2
143.08559	1.4
145.10149	6.2
147.11708	5.6
149.09644	1.9
149.13255	3.7
151.14825	1.4
157.10182	1.8
159.11748	6.4
161.13312	3.7
163.11139	0.8
163.14847	2.5
165.12828	1.4
167.14310	1.1
171.11684	1.3
173.13275	3.6
175.14816	4.1
177.12775	3.1
177.16385	1.9
179.14319	48.1
185.13303	1.0
187.14883	2.8
189.16417	3.0
191.17975	4.5
193.15926	2.1
199.14799	0.9
201.16408	3.7
203.18019	3.5
205.15994	2.2
205.19472	1.0
206.20471	0.8
207.17409	1.4
213.16422	0.7
215.17940	3.5
217.19513	2.2
219.17389	0.8
227.17960	1.4
229.19627	1.1
233.19098	1.9
243.21297	1.1
247.20587	1.0
261.22256	0.8
263.20221	0.9
269.22717	1.0
275.20053	3.6
283.24316	0.8
285.22272	0.8
289.25543	1.0
293.21213	2.8
303.26865	2.9
331.26321	27.2
332.26657	1.1
349.27319	5.1
367.24765	1.1
405.30389	1.6
405.35263	3.0
407.11337	0.7
423.31119	100.0
423.36298	13.6
424.31540	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	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01868	1.2
55.05511	6.9
57.03425	1.8
57.07070	2.5
61.52758	0.5
67.05182	0.7
67.05513	9.5
69.03416	1.0
69.07073	17.5
69.49377	0.5
69.85495	3.2
71.04984	2.0
71.08627	2.5
75.04465	0.7
79.05494	4.4
81.07066	16.0
83.04977	2.1
83.08631	4.7
85.06532	1.4
89.05992	0.7
91.05475	4.4
93.07043	9.7
95.04945	1.2
95.08054	0.9
95.08617	14.7
97.02807	0.5
97.06540	7.8
97.10179	1.9
98.21359	0.8
99.08096	0.8
99.88764	0.5
105.07029	7.0
107.08599	11.1
109.06527	9.9
109.10172	7.8
111.08086	2.3
111.11769	0.5
117.07043	1.6
118.15395	0.6
119.08587	6.6
119.48170	0.5
121.06499	1.5
121.10141	7.1
122.07326	0.7
123.08076	44.4
123.11681	3.1
131.08571	2.4
133.10150	5.6
135.08076	7.4
135.11699	4.9
137.09612	3.2
137.13275	1.1
143.08580	0.6
145.10110	3.8
147.11687	4.8
149.09622	2.3
149.13278	3.0
151.11163	2.2
157.10175	0.9
159.11674	4.0
161.09535	0.8
161.13287	2.7
163.11226	1.0
163.14796	1.1
165.12828	0.7
167.14223	0.7
169.10185	0.9
173.13284	1.4
175.14780	1.6
177.12769	2.9
177.16235	0.6
179.14326	26.3
187.14822	0.9
189.16324	0.7
191.17935	1.1
193.15785	0.9
195.62883	0.5
201.16418	0.8
205.15839	1.0
219.17191	0.6
219.20944	0.9
225.00800	0.7
225.67673	0.5
233.19014	1.5
245.22752	0.6
247.20644	0.6
263.20071	1.5
275.20013	4.5
289.25427	1.0
293.21024	2.9
303.26959	3.6
313.24924	0.8
331.26334	26.1
349.27426	7.0
367.24789	1.7
405.30292	1.4
423.31076	100.0
424.31433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10892	1.7
53.03936	5.0
55.01855	4.0
55.05282	2.3
55.05513	17.9
56.30678	1.9
56.96561	3.5
57.03415	3.0
57.07052	5.4
59.04990	1.9
65.03924	2.1
67.05505	50.4
69.03436	9.9
69.07068	22.4
71.04987	5.2
71.57977	2.7
75.13553	2.0
79.05501	32.0
81.03403	7.7
81.06582	2.9
81.07059	54.1
83.04977	4.9
83.08617	10.7
84.08137	2.9
85.02880	6.7
85.06545	2.3
91.05478	30.9
93.07043	52.8
95.04973	10.5
95.08607	62.9
97.02836	3.2
97.06528	4.2
97.10193	3.8
98.97542	2.3
99.08089	2.6
101.06001	5.1
103.05476	4.7
105.07029	50.1
107.07865	2.8
107.08596	55.6
109.02872	3.1
109.06530	6.8
109.10165	38.4
111.04383	3.2
111.08067	6.6
112.11282	4.4
117.07004	14.3
119.08582	63.9
121.06506	30.8
121.10139	43.4
123.04421	2.0
123.08089	11.0
123.11708	9.7
125.09634	3.0
129.06982	7.3
131.08580	35.3
133.10133	41.9
135.08061	13.9
135.11699	28.8
136.08411	2.0
137.09630	4.0
137.13242	7.1
142.07826	4.2
143.08560	14.1
144.09328	3.9
145.06419	2.2
145.09026	3.9
145.10121	48.9
145.11281	3.2
147.08069	4.9
147.11690	25.3
148.74222	1.9
149.09579	4.6
149.13272	20.1
151.07582	3.5
151.11179	2.2
151.74580	1.8
155.08519	4.5
156.09366	3.2
157.10133	13.6
159.08104	3.9
159.11697	37.8
161.09605	3.4
161.13280	25.7
163.11206	4.6
163.14865	11.5
169.10138	5.3
171.11731	13.6
173.09673	2.7
173.11830	2.5
173.13234	35.4
175.11206	5.5
175.14864	27.5
177.12729	7.3
177.16370	5.6
179.10678	2.2
179.14293	8.3
181.10110	2.7
183.11726	5.2
185.13239	12.9
187.14828	53.5
188.15158	2.2
189.12776	4.7
189.16402	22.2
191.14279	14.4
191.17935	2.6
195.11722	2.2
197.13205	4.9
199.14845	12.1
201.12852	2.0
201.16385	42.2
203.14386	3.3
203.17929	4.8
205.15875	7.6
209.13261	3.0
211.14819	4.3
213.16351	5.1
215.17964	6.0
217.15901	5.9
221.15413	14.2
225.16371	2.4
227.17986	2.6
229.15805	4.9
229.19498	3.9
231.17488	5.6
233.15533	2.8
235.16899	8.2
241.19548	2.5
255.21109	3.1
259.20752	3.2
261.22232	3.6
277.21545	3.4
283.20724	2.3
303.23254	5.8
315.16281	4.7
327.23279	2.1
331.26483	3.4
332.15610	2.9
333.17429	8.5
341.24771	3.2
351.23358	2.8
369.24301	9.9
387.25259	8.1
405.26236	10.4
405.31543	21.9
422.70532	3.3
423.27188	15.9
423.32382	100.0
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
53.03933	2.9
55.05505	15.9
57.07093	8.4
65.03923	2.6
67.05183	1.8
67.05508	27.1
69.07074	17.4
69.65774	1.6
69.66095	10.7
70.06596	3.1
70.79813	1.5
73.27924	1.5
79.05497	25.0
81.07059	73.8
83.08630	9.4
84.08209	1.5
88.07635	4.2
91.05482	16.5
93.06474	3.0
93.07047	52.1
95.08608	62.5
97.06505	1.7
97.10163	3.8
98.97581	2.6
99.91048	1.7
102.09201	2.7
105.06381	3.2
105.07034	35.7
106.06446	1.5
106.66766	1.6
107.08598	62.9
109.06513	1.6
109.10154	45.7
111.11733	2.5
117.07011	7.9
119.08585	72.7
120.08952	1.5
120.18208	1.6
121.06468	2.2
121.10141	46.0
122.06789	1.6
123.08128	2.9
123.11713	42.1
125.09638	2.2
129.07014	3.7
131.08578	19.0
131.54785	1.5
133.10133	32.1
135.08051	3.7
135.11696	100.0
137.09604	1.9
137.13274	10.8
143.08556	13.4
145.10121	33.8
145.11273	2.5
147.08049	1.9
147.11693	29.0
149.02344	10.9
149.13239	9.4
150.02641	9.7
151.11131	1.6
153.09079	3.3
155.08517	3.4
157.10136	13.4
159.11673	28.2
161.09633	1.6
161.13278	23.1
163.07550	5.0
163.14824	17.5
165.16458	3.2
169.10135	5.7
171.11702	16.8
173.13258	36.0
175.11284	2.3
175.14821	19.7
177.09103	3.6
177.16408	14.5
179.14310	2.3
181.10086	1.9
182.11008	2.9
183.11682	8.4
185.13242	11.9
187.11194	3.4
187.14818	15.3
189.16353	24.7
191.14330	2.6
191.17961	7.3
193.04958	15.3
193.12196	1.9
194.05276	10.2
195.11807	2.1
197.13252	6.3
199.14792	11.9
201.12750	4.3
201.16379	21.6
203.14272	3.4
203.17976	11.0
205.12254	9.1
207.17404	2.9
209.13177	2.0
211.14835	5.2
213.16356	24.2
215.14301	2.5
215.17946	12.2
217.12216	2.7
217.15733	2.2
217.19478	3.4
219.01743	3.1
219.13869	6.5
223.14645	1.9
225.16417	4.7
227.17952	6.2
229.19550	3.5
231.13823	2.2
231.17413	3.3
233.15370	4.0
237.02826	4.3
239.17921	7.0
241.19545	23.4
243.21132	3.2
244.07104	1.6
245.15651	2.4
247.16907	3.2
253.19472	7.5
255.21063	9.7
256.26358	4.3
257.15515	2.4
257.22729	2.2
257.26746	9.5
259.17001	13.5
261.18564	2.2
267.21182	5.7
269.18811	3.2
269.22665	4.6
271.24197	2.1
273.18594	2.3
279.04123	1.9
285.18457	3.1
287.20065	29.4
299.20123	8.9
301.21606	4.6
313.21594	3.9
325.96368	1.6
335.27066	2.1
377.32001	15.4
378.26520	7.4
387.30203	2.2
405.31311	9.4
423.33008	87.2
424.32819	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	423.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	2.1
55.05516	12.9
57.07050	4.2
65.03908	1.7
67.05509	25.2
69.03401	4.1
69.07068	14.3
69.22614	12.9
69.23018	2.0
71.04964	5.2
77.03879	1.5
79.05494	19.6
81.03375	3.5
81.07059	35.1
82.06823	1.4
83.04948	1.6
83.06513	1.5
83.08610	7.1
83.77782	1.3
85.02870	1.9
85.06496	2.8
91.05484	15.5
93.07040	32.1
95.04974	15.3
95.08610	53.1
97.06503	2.5
97.10141	3.6
99.04414	5.2
105.07031	26.4
107.04932	1.6
107.08597	40.4
107.15177	1.5
109.06453	4.2
109.10167	32.0
111.04436	1.6
111.08031	3.0
111.11697	2.8
115.05241	1.4
115.06061	1.4
117.07042	8.9
119.08583	37.4
121.06483	2.7
121.09356	2.4
121.10145	32.4
123.07998	5.2
123.11719	12.4
125.05921	3.7
129.06937	3.7
129.84927	1.5
130.07776	1.6
131.07755	1.3
131.08569	15.7
133.06409	1.6
133.10141	23.1
135.07976	3.6
135.11693	25.5
137.05946	3.0
137.09636	1.8
137.13202	4.6
142.07689	2.5
143.08572	8.6
144.09319	2.2
145.10132	24.8
147.11690	17.8
149.09558	2.2
149.13261	14.2
151.11095	1.6
155.08473	4.7
156.09251	3.1
157.10138	12.7
158.10889	1.7
159.08047	2.3
159.11691	22.9
161.09575	3.5
161.13264	17.2
163.14804	14.2
165.09059	1.7
165.12701	2.0
167.08408	1.6
169.10017	6.1
171.11690	13.0
173.11954	1.5
173.13264	17.7
175.11076	2.3
175.14848	13.4
177.12654	2.0
177.16298	6.5
179.08600	1.5
179.14275	2.9
181.09993	2.5
182.10809	2.1
183.11670	8.3
185.13269	10.1
187.14799	18.4
187.54910	1.6
189.16396	14.9
191.14250	1.7
191.17931	14.3
195.11598	4.2
197.13170	5.2
199.14835	7.7
201.12610	3.3
201.16396	11.1
203.14211	3.1
203.17972	9.6
205.15724	1.9
207.17505	1.5
209.13103	4.1
211.14670	5.2
213.04337	1.6
213.16383	7.4
215.14174	3.8
215.17944	10.2
217.15813	1.6
217.19400	5.3
221.13080	2.6
223.14648	4.4
225.16306	3.6
227.14206	1.8
227.17979	7.4
229.15790	2.0
229.19379	4.9
231.20935	1.4
233.15291	2.2
233.18933	3.1
237.16223	2.7
239.17789	4.1
241.19580	6.8
243.20918	1.8
245.18848	3.6
245.22487	2.2
251.17738	3.5
253.19423	3.2
255.20961	3.1
256.21695	4.4
257.22495	2.6
259.20386	2.0
261.22177	2.7
265.19455	3.3
267.20865	4.9
269.18921	1.7
279.20926	3.3
281.22293	2.0
285.22049	2.1
293.22485	2.3
295.24069	1.7
297.25867	7.8
303.22922	2.3
315.26630	5.0
347.26993	4.0
363.28769	19.7
369.24133	2.3
377.31741	2.8
387.25104	4.7
387.30258	3.3
399.87891	2.0
402.42368	1.7
405.26157	3.7
405.31201	13.1
405.35574	3.1
423.32095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.05510	14.1
55.40800	1.4
56.96560	1.5
57.07074	7.1
59.56666	1.4
65.03932	2.4
67.05512	25.4
69.03432	1.7
69.07076	19.6
69.52972	10.3
79.05497	18.5
81.07061	46.5
83.04987	1.7
83.08626	10.1
85.06586	2.1
88.07627	3.3
91.05486	23.9
93.07050	43.8
93.55769	1.3
95.04954	4.2
95.08612	80.2
95.99240	1.3
97.06536	3.7
97.10176	5.1
98.21501	3.2
99.08083	2.7
103.05457	1.7
105.06386	2.7
105.07040	41.3
107.08604	63.4
109.06502	2.2
109.10165	48.6
111.08075	7.4
111.11723	3.4
112.70755	1.8
117.07020	11.0
119.08591	62.8
121.06496	4.7
121.10153	53.0
123.08060	4.2
123.11715	22.8
125.09603	3.4
129.07007	5.5
130.07849	1.7
131.08585	29.0
133.10143	49.2
135.08051	1.9
135.11702	43.9
137.09581	3.1
137.13231	8.1
139.11171	1.7
141.06955	2.0
142.07788	3.8
143.07549	2.0
143.08548	12.3
144.09315	2.1
145.10136	47.2
147.11688	42.7
149.02335	5.0
149.09628	2.1
149.13278	25.6
149.14372	2.5
150.02670	2.6
151.11206	5.0
155.08591	3.5
156.09337	2.2
157.10143	17.2
158.10858	3.1
159.11710	41.7
161.09630	2.6
161.13268	24.9
161.14558	2.0
163.14827	19.3
165.12759	2.4
169.10153	5.0
171.11688	13.1
172.12471	2.9
173.13266	33.6
175.11194	2.7
175.14828	22.2
177.12796	1.9
177.16385	16.5
179.14349	3.8
181.10085	2.3
183.11697	6.5
185.13271	14.5
187.14850	21.2
189.12807	2.4
189.16396	29.0
191.14412	2.4
191.17964	23.0
193.05005	8.2
194.05318	5.1
195.11685	1.9
197.13235	7.8
199.14839	13.3
201.12686	4.5
201.16399	40.3
203.14331	5.2
203.17969	41.1
205.15933	4.5
205.19531	5.3
207.17471	16.4
209.13362	3.2
211.14832	5.8
213.16411	10.4
215.17964	54.3
217.15973	3.3
217.19534	11.4
219.01828	2.6
219.17580	3.2
221.13348	1.8
221.18991	4.9
223.14862	2.9
225.16344	5.0
227.17957	6.9
229.19495	12.1
231.17349	3.4
231.21103	3.9
233.19067	5.9
235.12926	1.8
237.02811	1.6
239.17969	4.5
241.19569	9.0
243.17476	2.4
243.21080	10.4
245.19131	2.3
251.17941	1.8
253.19588	4.1
254.78876	1.6
255.21135	6.6
257.22607	3.5
257.26709	3.3
265.19492	1.8
267.21088	3.5
269.19119	2.4
269.22644	8.0
271.24255	2.5
277.19620	1.7
279.04004	2.3
279.21106	1.8
281.22644	2.4
283.16995	2.4
283.24368	5.0
309.25763	2.0
321.04846	2.4
335.23734	1.8
351.26953	3.1
357.71585	1.8
377.32324	2.2
387.30493	3.9
395.32617	2.0
405.30429	8.9
405.36038	13.7
423.31839	31.9
423.36279	100.0
424.36700	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	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.05511	12.1
57.07084	6.7
65.39295	1.2
67.05503	23.0
69.07069	21.7
69.07407	1.8
70.25034	5.1
71.08656	1.7
79.05495	14.5
81.07060	58.7
83.05000	3.9
83.08617	9.6
91.05486	15.4
93.07047	36.6
93.07623	2.0
95.05016	2.6
95.08610	100.0
96.08999	1.5
97.10182	4.2
98.97617	3.0
99.08131	1.8
103.05499	1.4
105.07034	33.4
107.08595	52.4
109.06564	1.9
109.10155	47.6
111.08119	4.0
111.11717	2.8
117.07027	7.5
119.08581	60.1
121.06478	1.4
121.10149	44.3
123.08086	3.3
123.11714	22.6
125.09678	4.0
125.13377	1.9
129.07002	3.3
130.07794	1.8
131.08580	21.0
133.10132	33.9
133.11057	2.1
134.24419	1.2
135.11707	30.5
135.12692	1.7
137.13261	23.6
137.14236	1.8
141.07072	1.4
142.07797	1.9
143.08559	7.1
144.09433	3.8
145.10124	34.9
147.11702	21.4
147.12773	1.6
149.09697	2.5
149.13268	21.0
151.11224	2.5
151.14816	2.4
154.93059	1.2
155.08604	1.9
156.09395	3.0
157.10149	7.8
159.11696	38.4
161.13248	16.9
163.11214	2.8
163.14835	11.2
165.12852	1.9
169.10172	2.6
171.11725	6.9
173.13271	21.4
175.14822	16.6
177.16354	8.5
179.14424	4.1
179.18021	3.4
183.11794	4.3
185.13277	7.9
187.14818	14.1
189.16379	15.3
191.17943	35.9
193.15880	1.7
197.13321	3.8
199.14813	7.7
201.12735	2.3
201.16399	16.1
203.14485	2.9
203.17982	12.9
205.15852	1.8
205.19466	11.7
207.17628	2.2
211.14897	3.8
213.16434	8.4
215.17970	25.7
215.19891	1.8
217.16058	3.7
217.19519	8.3
219.01920	4.4
219.17567	4.5
225.16516	3.5
227.17998	5.7
229.19550	3.6
231.17566	2.5
231.21172	5.0
233.19006	13.9
237.02989	3.6
241.19560	3.7
243.17567	3.8
243.21230	3.8
245.19276	3.3
255.21175	3.3
257.22821	3.2
261.02820	1.9
267.21246	2.9
269.22729	3.3
271.20636	1.9
279.04144	6.2
285.22290	2.5
321.04977	9.6
363.30716	2.0
393.35275	2.6
405.31302	1.6
405.35461	14.0
423.32574	5.9
423.36514	69.4
424.36398	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
53.03936	2.5
55.01864	1.1
55.05513	13.6
56.96550	2.5
57.03425	1.4
57.07083	6.4
65.03932	1.3
67.05507	31.7
69.03445	2.0
69.06721	1.5
69.07070	21.3
69.20905	1.2
69.21230	10.1
69.69501	1.0
71.04974	0.9
71.08618	1.5
79.05492	18.9
81.03424	1.1
81.07059	61.6
83.04979	7.2
83.08622	10.7
85.06530	2.3
90.69820	0.8
91.05474	21.0
93.07047	43.3
95.04984	2.3
95.08610	100.0
97.06515	2.7
97.10152	4.9
98.21521	2.1
99.08125	1.5
102.88834	0.8
103.05487	1.1
105.04568	0.9
105.07034	44.5
107.08598	62.2
108.60865	0.8
109.06503	2.4
109.10160	53.3
111.08087	6.3
111.11710	3.1
117.07020	9.4
119.08582	62.3
121.06522	1.5
121.10147	52.7
123.08057	3.3
123.10814	1.5
123.11709	22.4
125.09577	2.9
128.06203	1.0
129.07005	3.2
130.07819	1.2
130.66379	0.9
131.08568	20.9
133.10135	41.1
135.08098	1.8
135.10687	2.0
135.11700	38.0
137.09622	2.5
137.13266	14.2
141.06992	1.3
142.07761	1.8
143.08553	8.6
144.09328	2.9
145.02827	2.7
145.10126	39.8
146.10896	1.2
147.08022	1.0
147.11694	35.0
149.09634	2.5
149.13258	23.8
151.11122	2.3
151.14780	2.8
155.08542	2.7
156.09311	1.3
157.10141	10.4
158.10854	1.6
159.08076	1.3
159.11702	38.9
159.13049	2.0
160.12228	1.7
161.09676	1.1
161.13261	25.3
161.14594	1.3
163.11226	1.7
163.14821	21.4
165.12778	2.4
165.16435	0.9
169.10118	3.8
171.11713	9.0
172.12590	1.5
173.13280	24.2
175.11316	1.3
175.14828	24.9
177.05461	3.4
177.12747	3.8
177.16382	12.6
179.14304	4.0
183.11670	3.3
185.13272	10.1
186.13841	1.5
187.14827	18.6
189.12778	1.3
189.16394	28.5
189.18095	1.4
191.14259	2.7
191.17950	31.5
193.15883	2.6
195.11685	2.0
197.13286	3.6
199.14821	8.1
201.12660	1.3
201.16391	30.3
203.14355	2.6
203.17964	28.8
204.18324	1.1
205.15874	3.3
205.19534	5.7
207.17419	7.2
209.13255	1.5
210.01984	1.6
211.14815	3.1
213.16368	9.5
215.17961	43.2
216.48538	1.0
217.19485	12.7
219.01852	1.0
219.17424	4.2
219.21062	1.0
221.18944	1.2
223.14847	1.3
224.15657	1.0
225.16422	2.9
227.17955	6.4
229.19490	7.2
231.17401	3.1
231.21138	4.4
233.19000	9.3
239.17998	2.9
241.19464	4.0
243.17406	2.2
243.21135	8.7
245.18919	1.7
245.22606	3.5
251.17870	1.4
253.19449	2.4
255.21124	4.7
257.19077	1.1
257.22556	4.2
259.20630	1.6
261.22113	2.1
267.21112	1.9
269.03235	2.1
269.22675	6.3
271.24121	2.1
273.22290	1.6
281.22562	2.2
283.20752	1.4
283.24124	2.8
285.22174	2.2
287.04337	1.5
295.24103	1.3
311.27264	1.0
313.25226	1.0
330.18320	1.0
335.27185	1.7
339.26862	1.2
349.28778	1.5
353.28412	2.0
354.26855	1.0
367.29984	1.8
377.32132	1.1
395.37149	1.2
405.30579	1.7
405.35590	16.3
423.36615	88.7
424.36530	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05499	6.3
57.07065	2.2
67.05500	8.8
69.07070	16.3
70.08118	6.0
71.08643	1.8
75.17292	1.7
79.05492	8.9
79.22359	1.6
81.07067	23.8
83.08620	5.1
91.05468	10.2
93.07047	21.7
93.35744	1.8
95.08604	41.0
97.06549	1.8
97.10157	4.7
98.21421	2.2
98.67478	1.6
105.07045	14.1
107.08600	41.4
109.10166	21.4
111.08075	3.8
111.11729	2.0
117.07017	2.6
119.08582	16.8
121.10140	27.6
122.18411	1.9
123.11700	8.4
129.07063	2.7
131.08571	6.4
133.10132	21.7
135.11685	19.9
137.13290	4.5
143.08577	4.8
145.10141	18.2
147.10504	2.8
147.11684	51.7
149.13258	21.9
151.14806	3.6
157.10112	7.1
159.11711	20.9
161.13268	6.9
163.14851	14.2
169.10191	1.7
170.11069	2.1
171.11679	10.1
173.13281	24.5
175.14812	10.5
177.16364	14.4
179.14383	2.4
183.11678	3.1
184.12405	3.3
185.13222	9.6
187.14792	8.3
189.16423	5.0
191.17947	2.0
197.13257	6.5
199.14893	10.4
201.16373	5.7
203.17963	4.0
211.14893	3.1
211.25287	1.8
213.16444	4.5
215.17979	6.2
217.19476	2.5
225.16374	2.8
227.17943	4.6
229.19559	6.2
239.18161	1.7
241.19504	4.0
243.21074	13.7
247.20543	2.0
253.19405	2.6
255.21204	2.6
257.22729	2.8
261.22177	16.5
267.21039	9.7
269.22647	29.5
271.24222	5.0
281.22610	3.0
283.24265	11.5
285.22150	48.0
287.08453	1.8
295.24164	3.6
297.25931	1.9
309.25806	4.6
311.27411	9.0
313.29080	1.9
323.27414	1.7
335.27432	2.2
337.28967	2.3
349.29071	2.5
405.35168	29.8
423.36252	100.0
424.36465	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	423.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	25.5
56.55233	2.2
56.96560	4.0
57.07076	5.6
65.03948	3.9
67.05508	44.4
69.03432	7.4
69.07069	28.6
69.99215	11.2
71.05003	3.3
71.08623	4.9
79.05501	29.0
81.03447	11.6
81.07061	73.5
83.08613	13.2
84.08153	4.5
85.02941	3.1
85.06546	3.0
91.05488	36.9
93.07048	70.5
93.07626	4.4
95.04970	8.0
95.08619	76.6
97.02914	2.9
97.06547	4.2
97.10188	8.8
98.97607	4.5
103.05465	5.5
105.07041	53.6
107.05085	2.2
107.08608	72.5
109.06551	8.4
109.10165	49.0
111.08138	5.8
111.11734	3.0
112.11239	4.4
113.09679	2.7
117.07006	13.0
119.08589	53.5
121.06544	13.4
121.10147	60.4
123.08105	10.8
123.11733	18.0
125.09634	2.4
128.33989	2.3
129.07034	8.8
131.08592	26.4
133.10147	48.1
133.11086	3.8
135.08105	6.0
135.11687	41.7
137.09633	3.5
137.13327	5.4
143.08583	10.6
145.10132	42.5
147.07948	3.0
147.11697	38.3
149.09639	3.6
149.13263	38.1
149.14375	3.4
150.52849	2.0
151.14874	3.5
153.12769	3.7
155.08569	5.9
156.09312	2.6
157.10147	16.4
159.11713	37.9
161.13290	24.2
163.14847	23.8
169.10150	6.5
170.10915	2.7
171.11694	21.9
173.13275	40.0
175.11241	3.1
175.14853	17.8
177.16400	20.0
179.14311	13.4
181.10223	2.2
183.11757	9.1
185.13268	15.2
187.14877	16.7
189.12857	3.3
189.16434	8.7
191.18063	5.4
197.13353	9.4
199.14835	14.1
201.16467	10.5
203.18015	9.4
211.14900	6.8
213.16472	8.6
215.18071	13.6
225.16458	4.5
227.17975	5.0
229.19572	13.1
233.19193	4.3
237.16589	2.6
239.18025	3.0
241.19626	7.5
243.21136	15.3
247.20630	4.2
248.54230	2.3
253.19521	3.8
255.21191	5.5
257.22672	6.2
261.22125	19.7
267.21121	15.9
269.22635	36.2
271.24399	6.2
273.22241	2.7
277.13898	3.7
281.22739	4.9
283.24207	12.6
285.22165	38.6
287.23788	3.0
289.21658	3.0
295.20993	3.0
297.26013	2.7
303.23419	5.1
309.25934	7.5
311.27371	16.8
313.21689	8.0
317.17810	3.2
331.22580	6.1
331.26425	8.8
335.27509	3.5
337.28937	4.3
341.24634	2.9
349.23831	3.1
369.24362	5.8
387.25281	3.3
405.26553	28.9
405.35175	36.9
406.26477	2.7
422.70520	5.2
423.21234	4.8
423.27094	9.8
423.31421	22.6
423.36401	100.0
424.36993	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01867	3.8
55.05516	17.2
57.03429	1.7
57.07081	5.0
67.05168	2.7
67.05509	39.7
69.03438	5.5
69.06722	2.1
69.07072	26.9
71.05009	3.6
71.08606	2.4
71.09454	3.1
73.02920	2.2
73.94526	1.6
77.51262	1.8
78.03895	2.0
79.05499	25.8
81.03438	9.9
81.07062	74.7
83.08632	11.3
85.02906	3.9
91.05488	25.4
93.07053	48.2
95.04992	3.5
95.08614	95.3
97.02878	12.5
97.06545	2.2
97.10162	8.1
99.04465	9.7
99.08121	3.3
100.44373	1.4
105.07040	51.5
107.07867	3.6
107.08600	61.6
109.02901	3.2
109.06527	2.8
109.10163	57.5
111.08138	3.1
111.11742	4.3
117.07026	13.4
119.08588	51.5
121.10152	51.7
123.08094	6.3
123.11720	18.7
125.09623	1.9
127.03913	14.2
129.07080	4.0
130.07846	2.1
131.08588	27.7
133.10144	37.8
135.08086	2.2
135.11700	36.5
137.13257	11.7
139.10214	1.6
141.07042	2.3
142.07747	2.3
143.08617	9.3
144.09370	2.7
145.04907	1.8
145.10138	38.6
147.11699	35.5
149.13287	21.1
151.14871	2.4
155.08580	2.2
157.10150	10.7
159.11705	45.5
161.13254	30.1
163.11150	2.6
163.14838	14.3
169.10191	4.7
171.11702	8.3
173.13290	24.7
175.14847	25.2
177.16365	16.2
177.17622	1.7
179.14427	5.0
183.11768	5.7
185.13264	9.9
187.14836	27.4
189.16389	25.1
191.17944	14.6
193.16035	3.4
197.13345	3.2
199.14775	7.8
201.12761	2.0
201.16405	31.5
201.17970	2.2
203.14337	2.3
203.17952	22.0
203.85861	1.7
205.16010	2.5
205.19595	4.3
207.17441	14.4
211.14888	3.5
213.08751	1.7
213.16389	10.5
215.17937	25.6
217.15915	1.7
217.19464	10.4
219.17505	3.2
225.16422	2.9
227.18033	6.6
229.19562	12.8
231.17477	4.1
231.21120	3.5
233.19080	4.4
239.18004	5.5
241.19617	5.1
243.21143	10.1
245.22710	2.2
251.17969	1.9
253.19713	3.5
255.21126	6.4
257.22757	3.6
259.20673	2.4
261.22052	8.1
267.21182	2.2
269.22705	4.8
271.20599	4.0
273.22208	2.3
281.22855	2.9
283.24228	2.1
285.22345	3.4
295.24286	2.5
315.84235	1.6
351.30432	1.9
355.57104	1.9
363.30649	2.3
379.32687	1.9
405.35257	23.4
423.32660	7.1
423.36447	100.0
424.36642	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3625
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
52.42920	1.2
53.03946	2.3
55.05523	7.5
57.07073	2.3
65.03925	1.3
67.05510	9.2
68.82977	1.1
69.06786	1.1
69.07082	14.7
69.47157	9.5
70.25010	1.0
71.08625	1.3
73.82612	1.2
74.60157	1.1
79.05493	7.0
81.07067	26.9
83.08632	7.4
91.05491	9.4
93.07052	24.2
95.08616	34.6
97.10184	7.0
105.07039	15.4
107.08607	39.5
107.12013	1.4
109.10158	26.9
111.08087	4.4
111.11739	2.8
117.07005	2.7
119.08589	19.3
119.33191	1.1
121.10163	30.8
123.11724	9.4
123.32558	1.2
129.07016	1.7
131.08591	6.7
132.59247	1.2
133.10143	25.7
135.11714	25.7
137.13289	3.4
143.08539	3.2
145.10138	22.5
147.11696	17.2
149.13280	25.0
151.14842	2.9
155.08516	1.4
156.09459	1.5
157.10165	7.7
158.10997	1.3
159.11716	22.5
161.13266	10.7
163.14847	17.1
167.14313	2.8
169.10124	2.2
170.10947	2.1
171.11699	12.5
173.13260	23.0
175.14888	9.7
177.16420	16.0
183.11736	2.6
184.12495	1.6
185.13283	9.0
187.14844	9.7
189.16379	3.7
191.17929	3.3
196.18062	1.1
197.13289	4.5
199.14833	9.3
201.16409	5.1
203.18018	2.7
209.13358	1.2
211.14848	3.6
213.16405	4.0
215.17992	7.3
217.19608	2.8
221.10297	1.4
225.16444	3.1
227.17950	2.8
229.19501	11.6
229.45729	1.3
239.18051	1.3
241.19560	5.4
243.21126	14.2
245.19179	1.7
247.20534	7.0
253.19646	1.7
255.21107	4.0
257.22620	3.3
261.22165	12.2
267.21097	10.7
269.22678	28.6
271.20761	1.7
271.24249	5.0
273.22122	1.7
281.22601	5.6
283.24207	14.1
285.22156	22.3
295.24207	2.2
297.25876	1.9
299.23706	1.6
309.25888	5.8
311.27341	9.9
313.28662	1.6
321.25751	2.0
323.27261	1.5
337.29211	2.4
349.29019	1.8
405.29752	1.6
405.35168	37.6
423.36252	100.0
424.36655	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.8
57.07079	6.9
61.52700	1.6
65.03958	1.6
67.05503	21.6
69.07069	18.9
69.20788	15.8
71.08623	1.4
72.85403	1.5
79.05498	12.7
81.07060	54.1
83.04993	3.8
83.08617	8.0
84.61595	1.2
91.05470	12.2
93.07048	32.2
95.08609	100.0
97.10186	5.4
98.20805	3.3
105.07032	35.4
107.08598	52.0
109.06532	2.2
109.10161	41.0
111.08134	2.3
111.11736	2.7
112.03867	1.3
117.07056	6.0
119.06087	1.5
119.08580	50.7
121.10144	40.5
123.08095	1.5
123.11709	16.2
125.09645	4.4
129.07008	2.2
130.07793	2.4
131.08548	15.4
133.10130	31.2
133.11073	2.0
135.11700	25.2
137.09595	1.7
137.13266	25.4
141.68234	1.5
143.08586	4.6
144.09424	3.4
145.10129	30.8
147.11711	21.8
149.09673	2.1
149.13245	14.4
151.11174	1.5
151.14845	1.8
157.10190	5.1
158.10814	1.5
159.11714	32.8
161.13264	17.2
163.11169	3.3
163.14806	10.7
165.12660	1.7
171.11749	4.8
173.13261	17.4
175.14833	15.2
177.12843	2.4
177.16438	6.2
179.14391	2.5
179.17979	2.7
185.13310	4.9
187.14803	11.4
189.16380	13.4
191.17955	39.5
191.19551	2.2
199.14920	4.0
201.16394	18.1
203.17941	9.8
205.19597	3.9
207.17523	2.1
213.16470	4.6
215.17992	28.2
217.15981	3.3
217.19560	8.2
219.17508	3.2
227.18076	3.9
229.19484	2.9
231.17598	2.0
231.21147	2.6
233.15433	2.7
233.19009	16.2
243.17534	3.7
244.18234	1.5
245.19032	1.8
256.10602	1.5
257.22742	2.9
269.22635	1.7
293.22372	1.5
377.37305	1.6
405.35187	9.9
423.36475	51.9
424.37018	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05520	7.4
57.07082	1.6
63.67309	1.3
64.97063	1.7
67.05513	9.4
69.07072	14.3
70.40614	1.2
70.83007	3.0
71.08631	1.9
79.05492	10.4
81.07066	25.4
83.08618	6.4
85.06557	1.5
91.05466	10.0
93.07050	24.6
95.08054	2.6
95.08618	39.9
95.60534	1.4
97.06535	1.9
97.10159	4.8
100.03206	1.6
101.26609	1.5
105.07040	15.8
107.08604	47.3
109.10164	28.5
111.08073	4.9
111.11751	4.1
117.07010	4.0
119.08584	18.1
121.10143	35.2
123.11718	10.9
129.06982	1.9
131.08582	6.2
133.10150	25.5
135.11700	28.1
137.13252	6.6
143.08575	5.4
145.10130	20.4
147.11700	55.8
149.13266	23.7
151.14790	2.4
155.08514	1.7
157.10138	6.4
158.10876	2.4
159.11696	23.9
161.13286	11.2
163.14856	15.9
169.10123	2.3
170.10965	1.9
171.11729	10.4
173.13268	30.4
175.14844	9.6
177.16385	18.0
183.11705	2.3
184.12360	1.4
185.13293	11.4
187.14828	11.8
189.16417	5.1
191.17982	2.4
197.13264	3.5
199.14816	7.6
201.16429	5.7
203.18019	3.6
211.14848	5.2
213.16422	5.3
215.17999	7.1
217.19498	1.8
227.17969	6.8
229.19617	9.0
239.17889	2.7
241.19563	4.4
243.21078	15.5
247.20554	2.6
255.21080	6.7
257.22656	3.3
259.20602	2.3
261.22122	12.4
267.21075	10.8
269.22653	36.3
271.24304	5.9
281.22748	3.0
283.24292	12.0
285.22144	45.2
285.25299	2.8
290.46335	1.4
295.24350	4.8
297.25922	1.7
297.60236	1.6
309.25815	6.4
311.27393	9.7
313.25238	2.1
323.27347	1.7
335.27393	2.3
336.12781	1.7
337.28946	4.1
349.28976	2.0
385.29434	1.5
405.35214	26.6
423.36273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.2
52.56800	1.0
53.03947	6.1
55.01877	6.9
55.05268	1.5
55.05513	23.5
57.03429	5.6
57.07058	4.5
63.00275	1.2
65.03925	3.7
67.05508	61.1
69.03433	12.1
69.06725	1.5
69.07072	21.3
70.12220	1.3
70.86285	1.4
70.86624	2.0
71.01348	1.3
71.04996	8.4
73.02921	7.4
77.03889	1.5
79.05495	59.8
80.39419	1.0
81.03417	14.2
81.07061	82.5
83.04965	4.3
83.08630	13.0
85.02893	4.7
85.06541	3.4
86.89270	1.0
87.04435	1.1
91.04900	1.1
91.05484	36.3
93.07048	77.5
95.05004	6.0
95.08611	100.0
96.08926	1.5
97.02899	76.3
97.06507	4.5
97.10172	9.1
99.03832	2.0
99.04458	37.2
99.08075	2.6
103.05480	1.9
105.04543	1.6
105.07034	43.6
106.44241	0.9
107.08600	61.0
107.88155	1.0
109.02880	12.0
109.06511	4.1
109.10159	48.6
111.08115	5.1
111.11710	1.7
113.09641	1.9
115.05453	1.6
117.05476	2.0
117.07019	13.1
119.08588	53.1
121.06484	2.3
121.10145	57.5
121.24608	0.9
123.08080	5.1
123.11712	19.1
123.75575	1.0
125.09617	2.4
127.03921	26.0
129.07021	5.4
130.07741	1.8
131.08563	27.9
133.10133	36.4
135.08046	2.0
135.10680	2.1
135.11697	38.9
137.09637	2.9
137.13263	9.6
139.11240	1.7
143.08600	5.6
145.04958	14.2
145.09047	1.8
145.10132	29.5
146.71796	1.1
147.11702	28.4
149.09579	2.6
149.13251	22.4
151.11159	2.9
151.14726	1.3
153.12663	1.3
155.08577	3.4
156.09341	1.4
157.10114	7.2
158.10928	2.0
159.11700	31.5
161.13266	22.8
163.14844	16.6
165.12828	1.8
168.09291	1.2
169.10138	3.0
171.11725	8.2
173.13281	25.3
174.13795	1.3
175.11160	1.4
175.14848	14.4
177.12682	1.7
177.16394	10.5
179.14287	4.6
183.08058	3.4
183.11693	2.8
185.13237	6.7
187.14815	15.1
189.16393	16.3
191.14357	2.6
191.17978	13.0
193.15947	2.1
197.13312	3.3
199.14760	6.9
201.12578	1.4
201.16409	20.1
203.14397	1.5
203.17952	17.4
205.15764	1.6
205.19513	4.1
207.17464	5.3
211.14795	2.9
213.16455	7.8
215.17975	18.3
217.19557	6.8
219.17538	1.9
219.20999	1.2
223.14807	2.0
225.16365	1.5
227.17903	5.2
229.19489	6.8
231.17398	1.3
231.21097	2.8
233.19034	4.2
239.18050	1.6
241.19507	4.1
243.21114	12.3
245.19023	1.2
245.22594	1.2
247.20760	1.3
253.19438	2.2
255.21028	4.1
257.22537	1.9
259.20547	2.5
261.22141	24.3
267.21140	2.2
269.22675	7.1
271.24295	1.6
273.22336	1.5
277.21680	1.4
279.23019	1.4
283.24240	3.2
285.22058	3.4
287.23734	1.3
303.23376	1.4
309.25540	2.1
311.27338	2.1
327.26831	1.4
363.30399	1.1
369.24316	2.0
387.25201	3.1
405.27081	4.5
405.35397	15.8
423.28329	3.6
423.36655	58.2
424.36795	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
53.70281	1.6
53.95885	2.0
55.01867	2.7
55.05521	18.9
57.03438	4.4
57.07067	7.9
65.03945	2.4
67.05167	3.3
67.05508	40.2
69.03419	7.7
69.07072	32.0
69.10898	1.6
71.04994	4.5
71.08622	3.8
71.57354	2.9
79.05498	31.7
81.03410	9.7
81.07059	64.3
83.04971	5.5
83.08621	15.3
84.08141	5.3
84.66929	2.2
85.02917	4.6
85.06557	3.2
91.05487	32.7
93.07049	66.4
94.78933	1.8
95.04962	5.4
95.08611	84.0
97.02876	8.5
97.06538	3.9
97.10172	7.2
98.97575	2.2
99.04437	2.3
99.08091	4.2
103.05435	2.2
105.07034	45.4
107.08595	71.9
109.06520	8.9
109.09456	3.1
109.10162	45.9
111.08077	3.1
111.11779	1.9
112.11266	4.4
117.07041	11.4
119.08588	47.9
121.06506	12.7
121.10142	44.4
123.08076	12.7
123.11726	19.5
125.09608	4.5
127.03878	1.8
129.07005	4.5
131.08574	24.6
133.10135	40.8
135.08057	6.1
135.11696	47.1
137.09608	3.9
137.13272	9.4
142.07733	2.3
143.08578	9.0
144.09300	3.2
145.10139	37.9
147.11684	28.6
149.09654	3.4
149.13277	26.2
151.07507	2.1
151.11247	3.4
151.14874	2.5
153.09084	2.7
155.08482	4.1
155.74829	1.9
156.09288	2.6
157.10139	15.5
158.10825	3.1
159.11696	40.6
159.13010	2.4
161.09625	3.9
161.13239	26.4
163.11166	2.8
163.14830	19.0
165.12845	2.3
169.10149	4.3
171.11742	11.0
172.68057	2.1
173.13255	22.0
175.11072	2.7
175.14833	17.1
177.12834	2.3
177.16347	6.7
179.14352	17.8
183.11714	6.5
185.13237	11.3
187.14850	27.6
189.16377	30.7
191.17984	16.5
197.13174	5.8
199.14812	10.6
201.16431	26.6
203.17964	15.8
205.15903	2.9
205.19559	4.0
207.17467	6.8
211.14853	4.5
213.16388	9.6
215.17926	18.8
217.15982	2.3
217.19516	7.1
227.17950	7.6
229.19508	8.1
231.17639	2.6
231.21114	2.4
239.17729	1.8
241.19550	7.2
243.21111	8.1
247.16798	2.9
253.19586	2.7
255.21080	6.3
257.22610	3.8
259.20612	4.4
261.22183	3.7
267.21048	3.7
269.22610	8.4
271.20734	3.0
271.24271	4.8
277.13739	2.4
281.22498	4.2
283.24136	3.0
285.22217	2.2
289.21628	2.7
297.25830	2.9
299.20068	2.1
303.23206	2.5
308.30975	2.0
315.23218	2.4
327.23349	1.9
331.26398	6.6
335.27121	2.0
349.27527	3.4
365.31757	2.6
369.24066	5.5
377.31982	7.6
387.25385	4.9
405.26352	8.1
405.35355	19.7
413.61539	2.0
423.20700	2.3
423.31506	27.7
423.36215	100.0
424.36804	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93665	1.2
53.03962	7.4
55.01881	7.5
55.05515	19.7
55.21171	1.5
57.03442	8.6
57.07077	7.2
65.03947	2.7
67.05511	56.7
69.03432	14.7
69.07076	22.3
69.60698	7.1
71.01395	1.3
71.04995	9.3
71.08636	3.1
73.02921	5.3
73.06570	1.6
77.03944	1.6
79.05500	53.5
80.05903	1.2
81.03423	17.5
81.07065	81.4
83.05006	2.6
83.08633	14.1
83.56889	1.4
85.02901	4.6
85.06543	2.4
85.93687	1.2
91.05489	37.3
93.07053	70.1
95.04973	5.3
95.08616	100.0
97.02902	62.8
97.06534	5.6
97.10167	4.3
99.04468	31.5
99.08102	3.3
101.02378	1.9
103.08864	1.3
103.19015	1.5
105.07045	39.8
107.04935	1.3
107.08605	61.6
109.02892	10.5
109.06506	10.2
109.10168	45.9
111.08102	4.3
111.11687	2.0
115.03946	1.2
117.07029	10.9
119.08588	47.9
121.06484	2.6
121.10152	56.6
123.08077	27.6
123.11728	20.1
125.09667	1.5
127.03068	2.4
127.03933	27.5
127.04812	2.6
128.06171	1.2
129.07008	5.0
131.08586	23.5
133.10141	34.4
135.08043	6.7
135.11697	33.6
137.09547	1.9
137.13272	10.3
139.20683	1.3
143.08612	6.1
144.09358	1.7
145.04991	8.5
145.10139	28.4
147.11687	24.4
149.09660	2.8
149.13281	21.2
151.11168	2.3
151.14774	2.0
155.08640	2.7
157.10135	7.7
159.11717	26.9
161.09575	2.2
161.13260	25.1
163.11189	3.1
163.14839	14.7
165.12747	2.2
169.10187	3.0
171.11656	6.4
173.13283	20.2
175.11200	1.6
175.14810	15.2
177.12750	3.0
177.16295	6.2
179.14330	24.3
183.11697	3.2
185.13268	6.5
187.14825	15.1
189.16426	14.4
191.14365	2.2
191.17978	17.8
193.15906	2.2
197.13254	1.8
199.14890	5.1
201.16388	14.8
201.18051	1.8
203.17946	12.2
205.15898	5.3
205.19489	3.4
207.17435	5.8
209.13022	1.3
211.14880	2.0
213.16322	6.6
215.14391	1.7
215.17970	17.5
217.19537	5.7
219.17517	3.3
225.16505	2.2
227.17917	3.1
228.92114	1.5
229.19554	4.6
233.18997	5.2
241.19504	2.8
243.21156	9.3
245.22488	1.3
251.18152	1.6
253.19664	1.7
254.51175	1.3
255.21123	4.3
259.20715	2.4
261.22165	21.5
267.21039	2.8
269.22543	6.7
271.24203	1.6
273.22098	2.6
275.19922	1.8
279.23438	1.8
283.24182	3.9
285.22180	4.0
293.21289	2.1
297.25955	1.8
303.23196	2.4
303.26834	1.7
309.25766	4.0
311.27274	1.4
313.25046	1.3
321.25797	1.7
327.26865	3.5
331.26321	18.5
349.27457	3.9
363.30606	1.6
369.24228	2.5
387.24994	2.4
405.26224	1.6
405.35254	12.8
423.31097	61.9
423.36282	65.9
424.31366	2.9
424.36612	2.0
438.27719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.9
57.07068	10.9
67.05504	24.7
69.07072	33.5
71.08634	5.6
71.59087	3.8
71.59510	3.1
79.05482	14.9
81.07062	69.0
83.08642	20.4
91.05455	9.3
91.52018	3.0
93.07042	33.9
93.97453	3.2
95.08611	100.0
97.09624	3.0
97.10157	16.8
105.07042	26.0
107.08592	50.4
109.10162	67.8
111.11676	4.8
119.08601	33.1
121.10146	48.1
123.11731	49.4
125.13290	4.8
127.11337	3.1
131.08586	8.0
133.10120	22.9
135.11705	41.2
137.13283	25.4
143.08481	4.1
145.10126	11.3
147.11711	19.1
149.13225	35.1
151.14821	3.9
153.41266	3.6
159.11740	16.2
161.13251	21.8
163.14864	23.2
173.13272	8.8
175.14818	9.9
177.16370	11.9
187.14801	8.2
189.16388	14.5
191.17929	21.5
199.83194	3.2
201.16353	8.5
203.17946	15.2
205.19588	15.6
215.17891	9.2
217.19443	19.1
229.19511	5.6
231.21074	8.7
233.22765	8.1
239.14888	5.0
243.21147	4.9
245.22702	7.8
257.22699	6.4
269.22711	4.9
285.22278	3.5
285.25723	8.8
299.27142	3.8
352.66141	3.4
405.34946	5.1
423.36670	11.1
423.40530	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	424.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
56.96575	2.5
60.08161	3.4
69.03445	5.0
70.06579	1.5
71.05001	2.1
71.20858	2.1
73.02901	2.5
79.05480	1.6
81.03427	1.9
85.02917	10.4
87.04438	1.6
89.03905	1.2
91.05492	7.3
93.07034	4.7
95.04982	1.5
97.02885	3.7
98.97598	7.8
103.05455	4.3
107.04952	3.6
109.02855	0.9
110.97577	2.4
114.35435	1.0
116.98605	1.4
117.03375	2.0
119.01932	1.6
119.04975	4.8
121.06526	13.6
122.03648	1.4
123.04427	4.1
124.05226	3.2
125.01726	1.2
127.03915	2.4
128.98575	1.1
131.04912	6.3
133.02853	1.3
134.03654	1.1
135.04390	1.4
136.07556	1.0
137.05988	23.6
140.04668	4.0
141.01158	2.3
143.00183	1.2
145.02888	1.3
145.04932	2.4
147.04425	9.0
148.05063	3.0
149.05995	17.5
155.04619	1.2
155.07027	3.2
158.99672	2.2
159.04427	3.7
160.25621	1.0
161.01273	1.0
163.03964	2.9
165.05435	1.8
167.07060	100.0
168.07385	1.2
177.00757	1.8
177.05492	38.8
179.07050	5.7
180.07750	4.0
181.08585	1.0
191.03862	1.3
191.07060	2.7
197.08104	2.0
201.00697	1.0
201.05116	1.9
209.08112	25.8
219.01805	3.9
227.09163	64.2
229.65044	1.1
235.06508	4.5
236.06310	2.2
237.02843	2.6
244.07703	1.4
246.09096	1.8
265.07602	1.2
266.07901	1.5
289.05768	1.8
307.06906	1.6
309.08859	1.8
349.08075	2.2
419.42450	1.1
424.15399	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	424.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.03939	0.9
58.27536	0.2
67.05515	0.6
69.07066	0.6
69.66460	1.6
74.52951	0.2
77.03933	0.4
79.05486	0.9
81.07051	1.2
91.05485	3.8
93.06471	0.5
93.07053	7.3
94.07374	0.3
95.04976	0.7
95.08608	2.0
96.08935	0.6
103.05476	3.7
105.04544	0.5
105.07021	1.2
106.07355	0.3
107.08596	1.5
108.08936	0.5
109.10127	0.8
119.08549	1.3
120.08919	0.7
120.60025	0.3
121.06512	100.0
121.10178	0.9
122.06852	0.7
123.11732	0.6
131.08542	0.9
132.08861	0.4
133.10129	1.2
134.10446	0.5
135.08064	0.5
135.11720	0.6
136.12006	0.3
145.10135	1.3
146.10458	0.8
147.11777	0.6
148.11981	0.7
148.58398	0.3
149.13258	0.7
157.10219	0.3
159.11720	1.1
160.12091	0.4
161.13226	0.4
172.12279	0.3
173.13293	1.0
175.14841	0.7
176.15099	0.6
180.13380	0.3
186.13538	0.5
187.14807	2.0
188.15189	1.2
189.16391	0.7
190.16760	0.8
191.14404	0.3
201.16400	0.8
202.16756	1.2
222.15640	0.3
301.70416	0.3
317.52454	0.3
406.31662	0.9
424.32901	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	425.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	23.4
71.04996	29.0
71.57471	12.3
85.02912	87.4
91.05495	9.5
95.08575	8.2
97.02878	20.8
98.97582	24.4
101.00902	29.2
105.64611	8.8
116.98645	8.4
119.01923	32.2
121.06484	8.7
127.02471	10.0
127.03891	19.9
129.05522	15.9
130.43184	7.8
131.01869	9.2
137.05983	32.9
143.01920	28.9
145.04968	10.8
155.01909	15.5
157.03511	32.4
161.02983	42.8
167.07069	14.8
168.07347	22.4
173.03014	14.3
175.04597	9.4
177.05482	14.8
185.03041	13.5
187.04626	20.4
189.06046	11.1
197.02988	14.1
205.05557	18.5
215.04085	12.1
223.06677	37.2
227.09091	14.0
228.09441	13.8
245.05133	43.7
257.08810	9.5
261.09082	12.4
263.06235	16.7
265.07712	32.2
267.00067	9.3
275.06094	67.1
291.09409	13.8
305.07150	8.4
320.29300	11.0
359.11966	18.2
381.11542	13.3
407.06427	16.0
425.06924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.9
61.02900	1.8
69.03395	3.9
71.04951	1.5
71.56882	1.0
73.02898	1.4
81.03400	1.3
82.99818	2.5
85.02911	7.4
94.99805	0.9
97.02906	5.3
97.03397	1.3
98.97539	4.0
101.00879	18.7
103.00578	1.4
109.02826	1.0
110.97501	1.2
113.00820	4.0
113.03436	3.0
115.03820	0.9
119.01167	1.2
119.01913	18.2
121.01617	1.3
121.06421	1.2
122.07101	2.2
123.05472	3.1
124.67566	0.9
127.02373	2.9
127.03837	2.8
129.03975	0.9
131.01904	10.2
133.03380	2.0
133.04907	1.7
135.03162	0.9
136.06210	4.5
136.07068	1.0
136.39494	0.9
137.00749	1.0
139.02336	2.4
143.01900	37.9
144.01935	0.9
145.03450	9.0
145.04929	1.5
147.03137	1.6
147.05029	0.9
153.04004	1.2
155.00821	1.1
155.01895	14.6
157.01541	1.5
157.03482	7.8
158.99599	1.4
159.03192	1.2
161.02963	43.3
167.00728	0.8
167.01906	11.0
169.03465	4.6
171.04921	2.0
172.89717	0.8
173.01424	1.1
173.02963	16.0
175.04419	2.0
177.00606	1.1
179.01900	4.1
185.02951	35.6
187.04387	3.2
191.03900	3.7
193.53040	0.9
195.04910	0.8
196.97789	0.8
197.02956	11.2
199.04449	1.7
203.04042	12.4
209.02872	1.3
213.03680	0.8
215.03978	7.2
219.01591	1.1
219.07005	1.1
221.02826	1.0
221.04881	2.4
223.06491	2.6
227.04022	7.3
227.08096	1.2
231.06717	1.1
237.06348	1.2
239.04057	1.4
241.07538	1.0
245.05072	100.0
245.08948	2.7
246.05162	2.0
251.04161	1.7
257.05161	4.4
263.06146	23.4
265.07407	2.6
275.03537	1.0
275.06131	16.4
277.07510	1.8
279.07339	1.6
281.05368	1.3
289.07507	1.2
293.06882	2.7
305.07193	12.4
321.10074	1.2
329.07956	1.4
335.07816	4.0
365.09637	7.8
374.03635	0.9
393.06943	1.7
425.06476	57.1
426.06888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0845
Annotation	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
69.50335	29.4
85.02889	19.7
85.29848	4.1
97.02882	8.8
119.01924	6.4
127.03918	5.5
143.01877	13.2
144.05859	4.2
145.03580	5.0
155.01894	8.6
157.03433	8.1
161.02950	10.1
167.20705	4.6
173.02924	7.3
179.01953	5.2
184.05728	5.2
185.02953	12.0
193.06430	5.5
193.56429	9.4
198.84145	4.2
203.03987	6.1
223.06569	10.2
231.26962	5.1
245.05057	38.5
263.06110	9.4
265.07632	10.3
266.07919	9.7
267.07394	8.9
333.91498	4.6
377.90002	4.4
425.08151	100.0
444.62921	5.5
448.00623	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	425.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95578	0.6
57.03421	2.0
61.02909	0.8
68.41815	0.7
69.03424	1.3
71.05002	4.6
71.55373	0.8
72.46461	0.6
81.03404	0.8
82.99851	2.9
85.02913	11.1
91.05486	0.8
94.93025	1.2
97.02899	2.6
98.97586	0.8
101.00890	17.3
109.02840	0.9
113.00858	3.6
119.01137	1.2
119.01934	17.2
119.04904	0.8
121.06517	5.2
127.02425	3.2
127.03915	1.9
129.05460	2.1
131.01912	7.3
137.02942	1.4
137.06004	1.6
139.02423	1.5
143.01910	34.8
145.03470	8.6
145.04956	2.6
153.04039	0.9
155.01913	15.5
157.03485	7.1
161.02972	40.3
167.01904	11.5
168.07549	0.7
169.03479	4.7
171.05022	2.6
173.02995	16.7
175.04532	1.8
179.01942	4.8
181.03470	1.0
184.05907	1.7
184.55865	0.7
185.02969	30.8
187.04523	4.0
191.04059	3.0
194.94572	1.1
195.05070	1.6
196.04529	0.8
197.02960	14.3
199.04579	0.8
203.04022	13.6
204.04581	0.8
205.05595	1.6
209.02936	0.8
215.03984	5.8
217.09518	0.7
221.04958	1.2
223.06631	4.5
227.04004	8.1
232.90123	1.9
239.04187	0.9
243.07866	1.0
245.05095	100.0
246.05383	2.0
257.05054	5.7
257.08820	0.7
261.08969	1.0
263.06131	21.2
265.07742	3.0
268.98322	1.3
275.06137	14.4
276.06546	0.7
277.07663	1.0
293.07156	2.9
305.07208	11.1
306.36450	0.8
334.11990	0.8
335.08240	2.9
339.09152	1.5
359.11829	3.7
365.09372	8.4
383.10159	0.7
425.06137	9.5
425.11462	6.4
438.22272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95578	0.6
57.03421	2.0
61.02909	0.8
68.41815	0.7
69.03424	1.3
71.05002	4.6
71.55373	0.8
72.46461	0.6
81.03404	0.8
82.99851	2.9
85.02913	11.1
91.05486	0.8
94.93025	1.2
97.02899	2.6
98.97586	0.8
101.00890	17.3
109.02840	0.9
113.00858	3.6
119.01137	1.2
119.01934	17.2
119.04904	0.8
121.06517	5.2
127.02425	3.2
127.03915	1.9
129.05460	2.1
131.01912	7.3
137.02942	1.4
137.06004	1.6
139.02423	1.5
143.01910	34.8
145.03470	8.6
145.04956	2.6
153.04039	0.9
155.01913	15.5
157.03485	7.1
161.02972	40.3
167.01904	11.5
168.07549	0.7
169.03479	4.7
171.05022	2.6
173.02995	16.7
175.04532	1.8
179.01942	4.8
181.03470	1.0
184.05907	1.7
184.55865	0.7
185.02969	30.8
187.04523	4.0
191.04059	3.0
194.94572	1.1
195.05070	1.6
196.04529	0.8
197.02960	14.3
199.04579	0.8
203.04022	13.6
204.04581	0.8
205.05595	1.6
209.02936	0.8
215.03984	5.8
217.09518	0.7
221.04958	1.2
223.06631	4.5
227.04004	8.1
232.90123	1.9
239.04187	0.9
243.07866	1.0
245.05095	100.0
246.05383	2.0
257.05054	5.7
257.08820	0.7
261.08969	1.0
263.06131	21.2
265.07742	3.0
268.98322	1.3
275.06137	14.4
276.06546	0.7
277.07663	1.0
293.07156	2.9
305.07208	11.1
306.36450	0.8
334.11990	0.8
335.08240	2.9
339.09152	1.5
359.11829	3.7
365.09372	8.4
383.10159	0.7
425.06137	9.5
425.11462	6.4
438.22272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1421
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
50.34024	0.3
51.27221	0.3
71.57085	0.4
72.08159	1.0
73.02915	0.4
73.41528	0.3
84.08129	1.2
85.02891	0.7
89.23653	0.3
91.05505	1.6
97.02886	0.4
98.37965	0.3
121.06510	1.4
128.10744	0.4
278.52316	0.4
293.09976	1.1
295.11618	0.4
425.14200	100.0
426.14514	1.5
447.23471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
56.96574	7.5
59.73488	1.5
69.03436	2.5
70.06584	5.7
71.56113	1.8
77.37101	1.5
81.07066	3.1
84.08160	2.7
85.02921	4.5
93.07076	1.9
95.08614	1.8
97.07617	1.7
98.97587	31.3
107.08605	2.1
110.97553	2.2
114.10297	7.0
116.98662	8.1
121.06509	7.2
158.99687	4.3
166.36627	1.6
174.27795	1.7
177.00809	1.8
177.74905	1.7
219.01845	2.5
238.96706	1.5
242.16942	1.5
244.13139	3.8
263.09537	8.6
281.10681	5.0
305.10687	6.5
323.11682	14.5
365.12863	4.7
425.15604	100.0
426.16528	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1576
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
53.03947	1.5
56.96574	7.5
59.73488	1.5
69.03436	2.5
70.06584	5.7
71.56113	1.8
77.37101	1.5
81.07066	3.1
84.08160	2.7
85.02921	4.5
93.07076	1.9
95.08614	1.8
97.07617	1.7
98.97587	31.3
107.08605	2.1
110.97553	2.2
114.10297	7.0
116.98662	8.1
121.06509	7.2
158.99687	4.3
166.36627	1.6
174.27795	1.7
177.00809	1.8
177.74905	1.7
219.01845	2.5
238.96706	1.5
242.16942	1.5
244.13139	3.8
263.09537	8.6
281.10681	5.0
305.10687	6.5
323.11682	14.5
365.12863	4.7
425.15604	100.0
426.16528	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80930	0.3
56.71893	0.3
69.60750	1.7
78.13338	0.3
91.05480	1.8
93.07027	0.5
115.05473	1.3
117.05800	0.6
117.07002	2.1
118.06546	34.6
120.08066	0.4
121.06514	2.6
127.30946	0.3
130.06526	2.7
132.08102	0.7
134.06023	0.3
137.05916	0.4
142.06528	3.1
143.07341	3.2
144.04451	1.4
144.08090	19.9
146.06012	88.2
147.06329	0.9
155.06021	0.5
160.07614	1.2
164.07074	37.8
165.07762	1.1
166.08669	0.6
169.07671	0.6
170.06023	6.4
172.32628	0.3
188.07071	100.0
189.07407	1.0
196.09749	2.0
204.06592	0.7
206.08087	0.4
218.09688	0.6
222.07602	3.2
232.07368	0.4
232.09966	0.4
238.10712	1.4
246.09251	0.5
247.12315	0.7
277.09787	0.6
279.11276	0.6
291.11353	0.6
305.12769	2.2
307.14493	0.7
349.11877	0.4
351.13394	68.7
352.13702	1.6
383.16052	0.9
393.14529	1.6
425.16592	1.5
425.25183	0.4
427.11996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07082	1.0
70.84077	2.6
71.25715	1.1
81.07050	3.5
92.30669	1.1
95.08601	1.2
101.00849	1.6
118.06491	1.1
119.01839	1.2
121.06493	1.2
146.06033	1.4
171.32152	1.0
180.01645	1.0
187.00970	1.1
188.07106	2.4
203.05338	1.7
243.04796	8.0
245.06401	7.7
246.94551	1.0
271.04306	1.2
287.03748	82.4
289.05331	70.6
290.05579	1.1
314.55185	1.1
381.18948	5.1
425.17871	100.0
426.18411	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36940	1.2
53.03951	3.1
55.01881	3.0
55.05512	9.7
56.42884	1.4
56.96565	1.4
59.05007	2.8
65.03944	1.6
67.05498	5.0
69.03429	5.8
69.07055	1.8
69.62209	8.0
71.04997	10.1
77.03937	1.8
79.05490	14.8
81.03447	2.4
81.07072	8.3
83.04988	8.0
85.02902	3.6
85.54169	1.3
91.05482	17.2
91.06019	2.0
93.07053	15.0
95.04967	9.1
95.08627	1.9
97.02881	5.3
97.06539	6.1
98.97544	1.4
99.04471	10.5
101.06021	2.4
102.68378	1.3
103.05458	3.7
103.24862	1.5
105.07037	27.0
107.04964	7.4
107.08613	3.6
109.02882	4.5
109.06557	2.2
111.04480	2.2
113.05972	2.1
115.05459	2.7
116.06288	1.3
117.07039	11.0
119.08601	7.9
121.06511	46.8
121.29656	1.1
125.06008	8.0
127.03909	5.4
128.06209	3.0
129.07010	5.5
130.06567	3.4
130.07787	7.1
131.04929	2.1
131.08597	16.0
133.06485	3.9
133.10132	7.4
135.04408	2.4
137.05962	3.3
139.03931	1.7
141.06970	3.2
142.07791	1.8
143.08569	7.0
144.09348	4.5
145.06502	17.3
145.10136	81.2
147.08107	2.4
149.05962	1.5
153.07008	1.9
154.07793	4.2
155.08591	7.0
157.04990	2.4
157.10149	4.9
158.07283	18.7
159.08063	19.6
159.11703	31.7
163.07602	1.5
164.07101	5.8
169.10132	11.1
171.08043	2.5
172.08826	8.8
172.39485	1.4
173.09634	100.0
182.07176	2.2
187.11201	52.6
191.10686	2.0
197.09637	8.5
204.02560	1.5
205.12247	22.3
215.10695	40.9
219.49538	1.3
233.11732	32.2
247.35701	1.4
274.11102	1.6
317.47659	1.4
366.26810	1.5
382.76694	1.3
417.24405	1.3
425.17148	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	425.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
57.07076	0.8
60.72346	0.5
65.03934	1.1
67.05509	3.3
69.07081	2.9
69.97983	1.4
69.98390	1.0
79.05516	3.2
81.07060	6.6
83.04993	0.6
83.08616	1.8
91.05482	24.8
93.07039	6.3
95.04980	1.1
95.08611	10.7
97.06528	0.6
97.10145	1.4
98.21457	0.5
99.08111	0.8
105.07038	6.9
107.08599	8.1
109.06519	1.6
109.10164	6.3
111.08078	0.9
111.11707	0.6
117.07005	0.8
119.04952	12.1
119.08583	6.1
121.06522	1.2
121.10155	6.1
123.08133	0.8
123.11704	1.7
125.09638	0.8
130.01874	0.5
131.08565	2.9
133.10146	4.4
135.08055	0.7
135.11720	3.2
137.05983	100.0
137.13277	0.7
138.06311	0.6
139.11098	0.5
143.08566	0.9
144.09377	0.6
145.10132	3.6
146.05937	0.7
147.08067	0.7
147.11687	5.2
149.13231	3.4
157.10147	1.8
159.11742	2.9
161.13284	3.9
163.11197	0.6
163.14835	1.9
164.07047	0.9
165.09129	0.5
171.11722	1.1
173.13272	2.5
175.11293	0.5
175.14896	2.3
177.16374	1.8
183.11865	0.5
184.07379	0.7
185.13242	1.5
187.14833	2.8
188.07149	0.5
189.16402	2.4
191.14375	1.4
191.17952	1.6
197.13304	0.5
199.14828	1.0
201.16420	2.7
203.14384	0.8
203.17960	3.0
205.15913	1.1
207.86079	0.4
213.16342	0.5
215.17953	0.7
217.15672	0.7
217.19542	1.5
219.13885	0.5
221.15347	0.6
227.17755	0.6
235.16817	0.8
235.20471	0.9
239.17839	0.5
351.13095	0.5
367.30096	2.3
407.32999	1.7
425.22760	1.6
425.28226	1.2
425.33908	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	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.72038	1.7
53.03944	3.2
55.05518	13.8
57.07072	4.3
65.03943	3.2
67.05511	27.6
67.34152	1.8
69.06730	1.8
69.07072	23.5
71.40805	2.2
79.05492	21.9
81.07062	51.1
83.04963	2.8
83.08624	13.2
85.06548	3.4
90.69820	1.7
91.05479	30.1
93.07050	49.8
95.04977	4.0
95.08612	76.9
97.06543	3.8
97.10162	7.1
98.97569	1.9
99.08083	7.8
103.05491	3.0
105.07041	66.0
107.07860	3.9
107.08598	80.7
109.06559	2.0
109.10161	55.8
111.08096	6.0
115.05494	1.7
117.07016	7.4
119.08590	87.1
121.06539	3.7
121.10154	59.1
123.08064	4.5
123.11717	15.6
125.09595	2.5
129.07028	3.8
131.08583	42.9
133.10138	58.1
135.08058	6.9
135.11700	39.9
137.09673	4.4
137.13243	5.0
143.08546	10.1
144.09332	2.5
145.10127	52.9
147.08038	1.9
147.11694	77.6
149.09621	5.1
149.13281	31.1
151.11224	3.4
156.09279	2.8
157.10152	16.1
158.10893	2.4
159.11708	42.3
161.09685	2.5
161.13268	28.6
163.11177	10.2
163.14822	26.2
165.09126	2.8
165.12805	2.1
169.10129	4.5
170.10858	3.4
171.11684	11.1
172.12404	2.6
173.13293	24.7
175.11252	5.1
175.14825	31.3
177.12782	4.8
177.16385	22.3
179.14325	4.4
183.11670	4.4
185.13252	14.3
187.14832	51.0
187.16458	3.8
189.12743	3.0
189.16383	35.1
190.13551	2.6
191.14267	4.1
191.17963	20.3
195.13730	2.4
197.13257	4.3
199.14836	13.0
201.16389	76.4
202.33875	2.0
203.14296	7.5
203.17972	20.7
204.14786	2.1
205.15894	43.9
205.19453	2.2
207.17471	7.5
211.14722	4.3
213.16461	9.4
215.14435	3.9
215.17990	10.1
217.15881	4.7
217.19490	11.8
219.17474	8.6
221.18988	2.2
223.16972	8.1
225.16409	3.3
227.17938	8.1
229.19496	5.7
231.17479	4.8
233.19034	3.6
241.19485	4.9
243.17558	2.4
243.21080	2.3
245.18935	3.3
253.19431	2.9
255.21063	6.4
267.20856	2.3
269.22745	2.7
313.25418	2.3
353.28448	5.7
365.28470	3.1
367.30008	2.3
389.31903	6.4
395.33234	3.5
407.33017	43.7
425.34128	100.0
426.34116	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3413
Annotation	Topsentisterol D1
Peak:m/z	Relative Intensity
52.19615	3.7
53.03939	4.9
55.05511	58.4
57.07064	13.6
67.05215	4.1
67.05505	40.6
69.06728	6.2
69.07072	100.0
70.32955	3.3
74.97688	3.5
79.05480	14.7
80.39247	3.8
81.07064	63.7
83.08619	47.6
91.05494	23.8
93.07045	32.6
95.04980	4.8
95.08051	6.0
95.08614	71.9
97.09616	4.2
97.10175	33.9
105.06516	3.0
105.07051	33.0
107.04940	9.9
107.08600	42.8
109.06528	10.2
109.10158	45.0
111.11713	14.5
117.06986	6.7
119.08581	24.9
121.06506	21.5
121.10160	30.6
123.11710	20.9
129.07019	4.9
131.08572	16.1
133.10121	24.6
135.08060	8.3
135.11713	26.7
137.05965	12.8
137.13242	11.1
143.08565	6.0
145.06483	5.4
145.10143	21.5
147.08041	10.4
147.11703	19.3
149.13261	13.3
151.14841	4.0
155.08577	7.1
155.74211	3.7
157.10112	11.0
159.08058	5.0
159.11740	19.2
160.78824	3.4
161.09627	8.0
161.13269	16.9
163.11145	4.4
163.14825	11.5
169.10092	5.6
171.08066	13.2
171.11652	9.6
173.09576	15.8
173.13228	8.5
175.11205	7.2
175.14813	16.2
177.16351	8.8
185.13257	7.7
187.11230	5.9
187.14844	8.0
189.16335	11.1
191.17979	4.7
197.13226	4.2
201.12714	6.1
201.16431	6.3
203.18120	4.9
206.30339	3.9
211.14905	5.5
213.12822	4.2
213.16301	4.3
215.14362	5.4
217.19444	5.4
225.16600	4.2
227.17976	4.2
229.01282	4.9
229.19525	3.9
231.21132	4.7
251.17844	4.6
257.22437	4.3
267.17563	5.4
269.19153	6.5
285.18600	4.2
295.20633	7.6
297.21954	5.4
309.22232	8.8
313.21539	25.1
327.23053	12.6
329.24646	4.4
385.45868	4.0
397.34341	4.6
407.33130	7.2
425.21573	5.3
425.33588	75.6
427.24771	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03941	0.5
54.24187	0.5
54.25751	0.4
55.05514	14.0
57.07078	4.8
57.94439	0.4
62.73408	0.4
65.03923	0.6
67.05507	6.8
67.81098	0.5
69.07072	21.9
70.96544	1.2
70.96899	0.5
71.08635	2.5
79.05495	8.3
81.07060	23.6
82.81961	0.4
83.04984	1.3
83.08624	8.9
85.10171	1.5
87.88116	0.5
89.67857	0.5
91.05494	5.1
93.07053	11.4
95.04983	1.4
95.08609	15.2
97.06554	3.0
97.10177	7.5
102.48338	0.5
103.05453	0.5
105.07032	10.0
107.04978	0.9
107.08599	13.4
109.06518	7.9
109.10168	9.8
111.11713	1.5
117.07017	1.4
119.08585	8.3
121.06494	1.8
121.10144	6.6
123.08070	1.2
123.11717	4.1
125.13222	0.6
127.07573	0.6
128.06110	0.6
129.07057	0.6
131.08554	2.6
133.06477	0.6
133.10146	10.9
135.08092	1.9
135.11716	8.2
137.05989	13.9
137.09619	0.7
137.13313	2.9
143.08569	1.9
145.06468	0.7
145.10133	3.7
147.08032	2.5
147.11691	5.0
149.09642	1.4
149.13245	4.2
151.07555	0.6
151.11206	0.7
151.14853	0.6
155.08521	0.8
157.10106	1.8
159.08051	2.1
159.11696	2.1
161.09593	3.5
161.13251	8.4
163.07544	1.9
163.11169	0.8
163.14816	2.0
165.09108	1.0
171.08051	0.5
171.11760	0.9
173.09668	5.3
173.13264	1.3
175.07594	1.4
175.11230	0.9
175.14848	4.3
177.09094	2.0
177.16391	1.1
183.11722	1.1
183.57800	0.5
185.09691	0.5
185.13283	1.2
187.11140	1.1
187.14789	0.8
189.09116	8.7
189.12746	1.0
189.16357	2.7
191.10678	2.6
199.14821	0.7
201.12755	1.0
201.16324	0.7
203.10777	0.5
203.17979	1.4
205.12271	0.5
209.13292	0.7
210.91493	0.6
215.14395	0.6
217.12230	0.8
217.19505	0.7
225.12788	0.8
229.12225	1.3
231.13919	0.6
231.20995	0.7
239.60913	0.5
243.13776	1.5
247.24022	0.6
267.17441	0.6
269.18921	0.8
273.25735	3.4
274.82404	0.6
285.18448	1.3
287.20245	0.7
287.27347	0.5
295.20737	0.7
301.25204	4.1
309.22177	0.8
313.21527	1.4
315.23007	0.7
327.23257	4.1
425.34116	100.0
426.34421	1.6
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	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03942	1.9
55.05513	12.4
55.05736	3.0
57.07076	4.7
67.05505	20.0
69.07073	19.4
70.97903	3.9
71.04969	2.5
77.03933	2.2
79.05497	17.4
79.06845	1.7
81.07059	39.1
83.04977	2.5
83.08617	9.5
85.06532	2.4
88.30405	2.0
91.05488	24.4
93.07043	49.3
95.08606	61.9
97.10168	5.3
99.08076	6.6
101.00826	2.0
105.07033	55.2
107.08596	73.7
109.06538	3.6
109.10163	34.7
111.08067	2.7
114.65894	2.0
117.07014	7.3
119.08586	76.4
121.09344	2.2
121.10149	57.3
123.08067	5.3
123.11713	17.3
125.09624	2.7
129.07050	2.8
131.08589	31.8
133.10132	43.5
133.11075	2.7
135.08054	5.0
135.11693	26.8
137.09579	2.6
137.13268	6.5
141.09122	2.1
143.08591	10.3
144.09241	2.2
145.10121	57.8
147.11684	56.4
149.09598	3.5
149.13260	40.2
151.11221	2.7
157.10202	11.2
158.10921	3.2
159.11708	36.5
161.13272	23.9
163.11188	6.3
163.14830	37.2
165.09116	2.5
165.12759	2.5
167.49940	2.1
169.10118	2.9
171.11716	12.1
173.13260	28.9
175.11302	2.5
175.14818	28.3
177.12697	3.3
177.16383	19.9
179.14444	2.5
183.11743	5.1
185.13272	11.6
187.14813	55.0
187.16444	3.7
189.16385	25.0
191.14346	6.0
191.17931	6.0
197.13304	2.5
199.14763	10.3
201.16389	80.6
203.14377	5.7
203.17973	25.5
205.15886	41.2
207.17520	5.6
211.14897	3.1
213.16364	7.1
215.14420	2.9
215.17995	14.0
217.15906	5.0
217.19508	5.8
219.17497	9.1
223.16882	22.1
227.17990	7.4
229.19579	6.3
231.17528	3.4
233.18925	2.3
239.17912	2.8
241.19580	5.9
243.21117	3.1
245.19041	3.4
253.19650	2.6
255.21091	8.5
259.20633	3.9
265.19479	2.4
267.20724	2.1
269.22760	4.8
275.20294	2.4
301.21573	8.2
337.25180	2.4
389.31952	4.5
391.13931	2.1
395.33020	2.4
407.33130	21.9
425.34192	100.0
426.34406	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.04143	1.8
53.03951	3.5
55.05513	20.0
57.07069	5.4
58.29520	1.6
65.03936	2.1
67.05510	26.0
69.03417	3.6
69.07076	22.5
79.05489	26.0
81.07059	62.4
83.08624	8.8
85.06528	3.9
91.05487	37.1
92.39043	1.9
93.07048	72.8
94.07333	2.3
95.04948	6.3
95.08614	81.3
97.02871	3.1
97.06513	5.1
97.10162	2.5
98.21529	4.1
99.08095	14.2
100.11252	1.9
103.05493	4.3
104.48195	1.8
105.07039	92.1
107.08604	84.5
109.06503	3.5
109.10159	47.9
111.08067	8.5
113.09645	2.4
117.06998	9.1
119.08591	93.7
120.08889	2.9
121.06505	4.6
121.09328	3.3
121.10150	56.5
123.08092	4.3
123.11711	18.5
124.11946	1.8
125.09614	4.5
128.06178	2.2
129.06985	7.2
131.08583	50.5
133.10147	66.5
135.08047	3.6
135.11713	35.2
136.12032	2.2
137.06010	2.1
137.13219	6.9
142.07753	2.2
143.08563	12.4
144.09364	5.4
145.09053	3.2
145.10127	45.0
147.11693	100.0
149.09702	3.9
149.12209	3.5
149.13277	43.4
155.08496	2.9
156.09320	3.4
157.10136	23.2
158.10896	2.2
159.11691	47.7
161.09605	4.1
161.11971	2.9
161.13255	37.9
163.11171	4.4
163.14850	25.8
165.09056	2.8
165.12712	2.5
169.10181	5.3
171.11743	17.0
173.13266	32.4
175.11165	2.1
175.14842	28.8
177.05507	2.0
177.12808	3.6
177.16400	21.7
179.14279	4.4
180.06522	2.3
183.11674	7.7
184.12367	2.4
185.13278	15.9
187.14812	51.2
189.12851	3.0
189.16409	29.5
191.14346	2.4
191.17981	12.0
193.15924	3.3
195.11867	2.1
197.13261	7.5
198.14050	2.2
199.14847	14.9
201.14583	2.9
201.16411	48.3
203.14284	7.5
203.17955	27.1
205.15904	21.1
205.19421	3.0
211.14778	8.0
213.16397	11.9
215.14310	2.0
215.17920	11.2
217.15829	5.2
217.19576	9.8
219.17551	11.6
221.19180	2.1
225.16293	5.0
227.17949	9.8
229.17371	2.3
229.19385	3.7
231.17389	5.3
233.18977	4.4
239.17899	5.3
240.08798	2.1
241.19524	6.1
245.18994	7.2
253.19560	4.6
255.21043	5.0
259.20428	3.2
267.21094	4.4
271.20618	2.2
279.21094	4.6
285.22086	2.7
295.24121	2.2
335.27240	3.4
337.25385	2.5
349.28842	7.3
353.28305	8.7
367.29959	39.5
379.33545	2.5
389.31787	3.9
407.33014	38.0
408.33109	2.1
425.18790	8.4
425.33994	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3419
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05510	15.3
56.96566	4.4
57.07063	7.4
62.36572	2.1
67.05514	30.5
69.03394	3.6
69.07070	25.9
70.06557	2.4
71.04960	3.1
79.05499	15.3
81.03403	2.8
81.07065	62.5
83.04977	3.0
83.08619	14.8
85.02876	3.4
85.06494	3.2
91.05482	23.7
92.31813	2.4
93.07042	48.5
95.04948	4.3
95.08614	83.5
97.02885	5.1
97.06499	3.1
97.10146	6.2
98.97581	6.4
99.08100	3.3
105.07040	48.9
107.08603	73.8
109.06480	3.5
109.10165	71.6
111.08073	5.5
115.05454	3.0
117.06985	8.5
119.04934	2.2
119.08588	71.5
121.06446	3.3
121.09319	4.2
121.10146	59.6
123.08057	4.1
123.11732	28.9
125.09627	2.9
128.06180	3.5
128.98532	2.4
129.07008	4.9
130.07881	2.7
131.04893	4.2
131.08588	21.0
133.10147	48.8
135.08028	6.4
135.11697	43.3
137.05992	6.8
137.09601	6.7
137.13268	12.4
141.06792	2.4
142.07730	3.3
143.08597	10.6
145.10127	38.2
147.08083	4.1
147.11699	35.6
149.09616	6.8
149.13272	35.5
151.07552	2.8
151.11211	4.3
151.14761	2.9
151.86928	2.4
155.08510	3.3
157.10109	14.1
158.99710	2.3
159.11684	33.6
161.13266	36.8
162.13596	2.5
163.03961	3.0
163.11180	6.5
163.14836	25.3
165.09138	22.6
165.12807	2.5
169.10103	4.4
171.11684	11.3
173.13269	23.3
175.07497	3.4
175.11208	4.2
175.14857	21.5
177.05409	5.0
177.09090	2.6
177.12697	4.7
177.16400	20.6
179.14331	6.0
182.11021	2.6
183.11644	2.9
185.13300	13.5
187.02881	2.2
187.14832	34.9
189.12720	3.0
189.16370	39.7
191.14291	4.7
191.17967	24.7
191.61591	2.1
193.15834	3.0
197.13278	3.9
199.14847	11.7
201.16388	33.5
203.14253	9.1
203.17967	24.5
205.15904	25.7
205.19424	6.0
207.17400	8.8
211.14700	3.2
213.16365	7.6
215.14366	4.4
215.17978	11.5
217.12239	2.1
217.15857	8.5
217.19437	13.6
219.01660	4.2
219.17380	9.5
221.15399	3.1
221.19057	4.2
225.16408	2.8
227.17825	4.2
229.19487	6.9
231.17471	3.5
233.18924	3.0
237.73907	2.2
241.19502	17.6
243.20978	3.7
253.19688	2.8
255.20938	3.5
257.19031	2.5
257.22510	3.4
269.22604	3.7
279.03809	4.8
295.23999	3.1
325.28937	2.2
353.24701	2.5
353.28665	2.7
373.41898	2.4
389.31976	6.7
395.32733	3.0
404.20535	2.3
407.32941	25.6
407.37314	3.9
409.63876	2.3
425.20847	2.7
425.33963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3416
Annotation	Maragenin II
Peak:m/z	Relative Intensity
52.63972	1.8
53.03924	3.3
55.01854	1.7
55.05511	12.6
55.05737	2.4
56.96547	2.2
57.07066	5.3
59.04987	2.9
65.03934	2.0
67.05502	23.7
69.03434	2.5
69.07067	17.8
70.46505	4.0
70.46897	4.3
71.04993	2.6
75.93531	1.9
79.05073	2.3
79.05490	25.4
81.07057	50.3
83.08626	8.8
85.06537	3.9
87.68795	1.8
89.12218	1.7
91.05483	28.5
93.06485	2.8
93.07047	61.7
95.04954	4.9
95.08605	77.1
97.06523	2.6
97.10171	4.6
98.97565	4.4
99.08104	20.6
105.06387	3.0
105.07038	49.2
107.08596	88.0
109.06496	3.9
109.10156	56.4
111.08055	5.4
114.13690	1.7
117.07018	9.5
119.08585	68.8
121.09321	3.7
121.10140	47.3
123.08080	3.2
123.11707	18.3
125.09560	3.5
127.07535	1.8
128.06219	4.2
129.06956	5.6
131.08569	27.8
132.03842	1.8
133.10141	42.9
135.11690	43.9
137.13260	12.6
142.07782	5.3
143.08556	24.5
144.09392	2.1
145.09055	2.7
145.10126	38.2
147.07996	2.9
147.11688	69.9
147.31334	2.0
149.13268	19.8
151.14885	2.5
153.12761	3.6
155.08543	4.6
156.09354	3.1
157.10138	33.1
158.10896	3.6
159.11702	35.2
161.13261	31.9
163.14803	14.5
165.09132	3.6
165.12785	2.5
168.09354	2.7
169.10143	10.9
170.10899	2.5
171.11700	24.7
172.12349	2.5
173.13283	30.2
175.14818	18.0
177.16388	14.6
179.14323	8.4
183.11717	18.5
185.13225	17.4
187.14816	25.1
189.16425	23.4
191.17963	23.6
195.11664	2.8
197.13289	10.2
199.14809	36.9
201.16383	24.7
203.14349	2.7
203.17896	15.8
205.15862	6.7
205.19444	4.1
207.17464	6.2
209.13275	3.7
211.14786	7.6
212.15468	2.1
213.16379	19.3
215.17938	12.1
217.15854	6.1
217.19507	14.7
219.01779	5.7
219.17427	5.8
223.14798	3.4
225.16350	5.7
227.17911	8.2
227.60522	1.7
229.19435	5.9
231.17390	4.0
233.18930	3.2
235.16922	3.3
235.20345	2.1
237.02881	3.2
237.16379	2.7
239.17976	3.6
241.19466	7.0
243.21132	3.8
245.18973	3.1
247.20554	4.8
251.18021	4.1
253.19586	10.7
255.20998	6.2
257.22647	3.3
259.20468	3.8
265.19449	3.0
267.21024	9.3
269.19122	2.0
271.20490	10.7
273.22122	4.3
279.03888	5.1
279.21045	2.4
285.22113	42.3
311.23715	2.8
313.25040	2.4
320.24698	2.4
321.04782	4.4
335.27237	8.4
337.25079	3.2
353.28391	41.7
389.32013	8.8
407.33029	52.9
425.33990	100.0
426.34134	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.23389	1.7
53.03931	3.2
55.05509	14.8
57.07063	5.2
67.05508	25.1
69.06763	1.9
69.07072	19.1
69.22519	9.9
69.22949	7.3
71.04972	2.6
73.85749	1.7
78.89279	1.6
79.05495	21.0
81.07060	40.8
83.04984	3.0
83.08624	9.0
85.06506	4.3
91.05476	19.7
93.07047	45.2
95.04969	4.5
95.08611	63.6
97.10157	5.3
99.08089	15.1
105.07032	46.0
107.07860	3.4
107.08598	70.9
109.06521	2.3
109.10163	38.4
111.08079	2.0
111.11708	2.1
112.99180	3.2
117.06991	5.9
119.08588	76.3
121.06523	3.5
121.09304	3.2
121.10148	47.6
123.08085	4.0
123.11715	16.0
129.07001	4.5
130.07706	1.7
131.00064	3.0
131.08574	35.9
133.10139	50.9
135.08063	6.1
135.11694	23.6
137.09622	4.2
137.13226	5.9
142.07906	2.1
143.08578	10.6
144.09348	3.0
145.10115	37.1
147.07977	2.1
147.11690	64.3
149.09615	4.1
149.13284	17.7
151.11172	2.0
155.08484	1.8
156.09294	2.0
157.10133	11.0
159.11707	30.2
161.09705	2.7
161.13243	23.5
163.11176	3.6
163.14851	15.7
165.12770	2.7
169.10109	4.2
169.61536	1.8
170.10822	2.3
171.11703	14.3
172.12494	2.7
173.11876	2.0
173.13249	24.5
175.11201	9.4
175.14830	21.0
177.12717	2.8
177.16382	16.4
179.14320	4.5
181.10158	2.9
183.11729	9.8
185.13254	14.2
187.14845	39.4
189.16409	17.7
190.13512	19.4
191.14296	3.0
191.17924	11.3
197.13300	8.1
199.14824	11.4
201.16394	46.2
203.14339	5.4
203.17967	12.0
205.15886	42.8
205.17810	2.3
205.19580	2.7
207.17462	4.4
209.13274	2.7
211.14839	9.3
213.16374	10.2
215.14404	3.4
215.17845	9.6
217.15932	5.0
217.19530	10.4
219.17450	7.7
223.14758	2.3
225.16409	3.5
227.17940	10.4
229.19467	4.7
231.17441	5.9
231.21248	1.9
233.19090	3.5
239.17940	2.9
241.19450	4.8
243.21159	2.2
245.19019	6.0
251.17905	3.8
253.19510	5.7
255.21078	5.1
263.18054	2.2
265.19528	3.2
267.21149	6.1
269.22687	3.3
279.21051	2.2
285.22031	3.3
301.21667	2.4
311.23633	2.1
319.24026	3.4
335.27267	5.7
337.25171	2.5
339.07584	2.1
350.21954	1.9
351.27139	2.4
353.28412	9.7
389.32028	6.1
395.33185	6.0
407.33090	83.8
425.34125	100.0
426.34259	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3416
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.03946	2.0
55.05514	14.3
57.07075	2.9
59.04998	1.5
65.03934	2.6
67.05508	31.4
69.03416	1.9
69.06719	1.6
69.07069	22.7
69.48161	8.4
71.04978	1.9
71.08646	1.8
73.53020	1.3
77.03928	1.3
78.59257	1.1
79.05496	27.1
81.07061	47.1
83.04977	4.0
83.08634	9.7
84.16985	1.1
85.02905	5.1
85.06519	1.7
89.06037	4.0
91.05482	23.9
93.07051	55.9
95.04967	4.5
95.08614	100.0
97.06526	6.6
97.10171	4.6
101.06021	7.5
103.05482	1.4
105.07037	61.9
107.08601	99.6
109.06528	4.5
109.10165	63.0
111.08096	2.8
111.11771	1.3
117.07010	5.0
119.08588	76.6
121.06532	4.8
121.10153	82.5
123.08065	6.3
123.11726	15.0
125.05997	1.4
125.09577	2.0
127.07627	1.8
128.06284	1.2
129.07008	2.1
131.08583	15.0
132.09248	1.2
133.08609	2.4
133.10135	55.4
135.08084	13.8
135.11705	45.2
137.09644	7.4
137.13257	11.4
142.07808	2.0
143.08594	5.0
144.09367	1.4
145.10135	22.0
146.10901	1.3
147.08092	2.4
147.11699	49.4
149.09636	8.3
149.13266	32.3
151.11189	4.6
151.14818	1.1
155.08623	1.5
157.10162	10.2
158.10912	2.0
159.11691	24.9
160.12361	1.5
161.09602	6.9
161.13257	38.2
163.11200	22.0
163.14821	24.5
165.09100	1.1
165.12802	2.3
165.16414	3.2
169.10165	1.8
171.11708	7.2
173.09669	2.0
173.13275	20.4
175.11235	8.3
175.14833	68.5
175.93155	1.3
177.12807	8.0
177.16399	29.3
179.10704	3.4
179.14320	2.6
183.11633	2.7
184.12473	2.0
185.13272	7.2
187.14845	17.1
189.12837	6.6
189.16399	53.5
191.14323	32.7
191.17966	31.7
193.12267	4.6
193.15906	4.5
195.11719	1.8
197.13200	2.5
199.14828	8.3
201.12762	2.5
201.16359	11.2
203.14369	14.4
203.17972	49.7
205.12280	3.6
205.15916	5.2
205.19449	1.5
207.13815	4.3
207.17432	2.7
209.15373	1.2
213.16426	8.1
215.14438	2.8
215.17937	8.6
217.15906	14.4
217.19521	4.0
219.13823	2.9
221.15376	36.4
223.14977	1.4
225.16493	1.6
227.17970	3.1
229.15912	3.4
229.19492	6.1
231.17422	4.0
231.21053	6.0
233.15416	1.3
235.16933	15.3
239.14871	2.5
239.17953	2.0
240.15231	1.7
241.19629	2.9
243.17560	3.3
243.21184	2.4
245.19136	1.4
247.16956	2.7
249.18585	1.5
255.17383	1.9
255.21170	3.9
257.19028	2.0
257.22684	3.6
260.88885	1.1
261.18533	2.7
267.21103	1.5
269.22855	1.6
275.20273	1.8
283.24350	3.8
287.20016	1.6
293.22656	3.4
299.89117	1.2
309.25891	1.6
311.23730	13.3
329.24771	43.5
337.25366	1.7
355.26187	7.3
389.32053	4.9
407.33047	21.6
425.34177	79.3
426.34415	2.2
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	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.05511	12.5
57.03423	1.4
57.07061	3.8
61.02918	1.4
65.03925	3.2
67.05506	17.9
69.03419	2.7
69.07067	18.5
71.04967	1.6
71.58153	2.0
77.03932	2.0
77.87788	1.3
79.05492	17.7
81.07062	31.3
83.04961	3.7
83.08626	8.5
85.06543	1.9
91.05476	22.5
92.00093	1.3
93.06470	2.6
93.07042	39.7
95.04967	4.2
95.08607	66.5
97.02888	1.5
97.06547	1.5
97.10154	2.7
99.08109	8.2
103.05479	1.6
105.04501	1.5
105.07033	62.4
107.08596	72.8
109.06494	2.6
109.10160	40.1
111.08128	3.5
115.05464	1.4
117.06984	7.3
119.08581	80.4
120.08891	1.6
121.06525	6.9
121.10148	59.6
121.11027	3.0
123.08087	3.8
123.11700	13.4
125.09624	2.9
128.06195	2.5
129.06999	5.3
130.07794	2.1
131.04933	1.9
131.08574	33.9
133.10135	48.9
135.08034	5.2
135.11691	27.5
137.05995	3.0
137.09636	3.4
137.13229	6.1
142.07765	1.9
143.08595	9.3
144.09328	2.5
145.10124	55.2
147.11693	64.4
149.05908	1.8
149.09578	4.6
149.13258	30.7
151.07510	3.0
151.11229	2.3
155.08568	2.6
156.09346	2.0
157.10132	12.0
158.10884	4.1
159.11697	41.1
160.12433	2.0
161.13249	22.9
163.11176	13.1
163.14827	24.0
164.07069	1.5
165.05504	1.6
165.12749	2.2
167.07048	8.3
169.10115	3.1
170.10938	2.7
171.11697	10.7
172.12502	3.7
173.13257	30.5
175.07555	2.1
175.11310	2.8
175.14830	27.1
177.05484	1.6
177.12753	4.7
177.16399	21.5
183.11691	4.6
185.13263	13.8
186.13879	1.7
187.14816	57.5
189.12735	1.6
189.16380	31.6
191.07111	1.4
191.14331	5.1
191.17950	5.1
195.13722	1.3
197.13135	3.0
199.07568	2.9
199.11119	2.1
199.14790	11.9
201.16385	100.0
202.16640	1.5
203.14333	4.0
203.17961	33.2
205.15889	53.4
205.17825	3.1
207.17480	4.7
211.14857	2.0
213.16429	6.8
215.14407	2.2
215.17949	9.0
217.15942	3.1
217.19507	6.2
219.07947	1.7
219.17422	11.3
223.16953	28.4
225.16293	2.0
227.10509	2.6
227.17996	5.6
229.19460	4.3
231.08052	2.1
231.17419	4.3
233.09758	1.6
235.16904	1.8
237.18494	2.5
239.09349	1.4
239.17949	2.6
241.19589	4.2
243.21184	1.7
245.18890	3.1
249.09277	1.5
253.19560	2.7
255.21065	5.5
259.07535	1.7
259.20535	1.9
269.22556	2.2
274.39151	1.4
276.07800	1.9
290.09543	1.7
291.10086	2.1
306.08740	1.8
319.09674	4.6
320.10651	2.3
321.11069	4.0
336.13571	2.7
337.10815	2.5
337.25452	1.6
351.12305	10.1
352.13159	4.9
353.28503	2.4
365.28610	1.8
389.31961	4.7
395.33069	2.6
407.33093	27.3
411.83304	1.8
419.33057	1.4
425.16089	6.3
425.34125	82.9
426.34601	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3418
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05521	5.1
57.07063	3.2
65.29051	0.8
67.05202	0.9
67.05512	7.1
69.07065	10.0
69.66651	4.5
71.08643	0.9
74.09708	1.6
79.05480	4.0
81.07061	25.7
83.04978	1.1
83.08605	3.6
91.05474	5.0
93.07053	12.8
95.04955	0.9
95.08612	32.0
97.06474	0.9
97.10173	3.2
105.07035	12.0
107.08604	19.5
109.06546	1.7
109.09454	1.5
109.10157	17.9
111.06022	0.7
111.08116	1.0
111.11726	1.2
117.07014	2.2
119.08582	14.5
121.10159	13.6
123.08054	1.4
123.11710	8.7
124.08475	0.9
129.06993	1.7
131.08569	4.5
133.06512	1.0
133.10124	10.1
135.08040	1.8
135.11697	13.2
137.09669	1.0
137.13258	11.4
139.11169	0.9
143.08575	3.0
145.10115	8.3
147.08080	4.8
147.11679	10.6
149.09648	0.9
149.13275	7.8
151.11172	1.8
151.14740	0.9
157.10147	3.2
159.11693	6.7
161.09627	1.3
161.13258	8.7
163.11171	1.6
163.14816	5.4
165.12727	2.7
170.10992	0.9
171.11684	3.2
173.13255	5.1
175.11201	1.3
175.14854	4.7
177.12781	3.5
177.16396	4.5
179.14377	2.5
183.11769	1.6
185.13330	6.0
187.14833	7.7
189.12730	3.3
189.16423	6.7
191.04858	0.7
191.14320	1.5
191.17981	3.6
197.13260	1.2
199.14790	2.6
201.12646	4.2
201.16391	4.4
203.14333	21.4
203.17938	6.7
205.15887	17.2
205.19519	2.5
207.17459	1.1
213.12888	1.1
213.16440	2.1
215.14389	1.5
215.17950	4.7
217.15947	4.9
217.19579	2.9
219.17476	1.6
227.17969	3.3
229.15947	1.1
229.19508	2.0
231.17502	1.3
233.18938	0.9
241.19669	1.9
243.21049	2.1
245.19008	1.3
253.19521	1.4
255.21075	1.5
257.19196	1.2
257.22482	1.3
261.22180	1.8
263.20120	1.6
269.19080	1.0
269.22607	1.8
271.20651	2.0
273.22192	0.9
283.24078	1.9
297.22021	1.3
309.48599	0.9
365.32034	2.2
407.32578	8.2
407.37015	2.6
425.21613	3.4
425.34076	100.0
426.34610	2.3
440.58951	0.9
445.49185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.51745	2.4
53.03956	2.6
55.05508	34.8
57.07070	8.8
66.44567	2.5
67.05509	30.4
69.06731	2.7
69.07072	31.8
70.57060	2.4
70.97189	3.8
79.05492	20.1
81.07063	59.5
83.08620	15.0
85.76073	2.6
90.63992	2.3
91.05479	18.0
93.07044	46.2
95.04978	2.7
95.08609	100.0
95.34979	2.6
97.10175	30.4
97.81282	2.8
98.97863	2.7
105.07047	38.5
107.08598	91.7
109.06596	2.8
109.10157	85.2
111.08076	5.9
111.11678	2.9
117.07043	4.4
119.08587	61.7
121.10148	65.5
123.08087	2.6
123.11718	40.4
131.08574	12.1
133.10135	61.9
135.11696	70.3
137.13298	14.6
143.08548	4.5
145.10124	22.2
147.11696	43.3
149.13260	36.4
151.11183	3.8
151.14777	3.6
153.12674	3.2
157.10127	5.4
159.11693	22.6
161.13268	42.1
163.14810	31.9
165.12746	4.2
173.13203	16.6
175.14842	27.8
177.16411	25.0
179.14316	9.4
185.13216	4.8
187.14871	16.3
189.16406	39.2
191.17935	26.5
199.14890	4.9
201.14842	2.7
201.16432	18.9
203.14380	4.1
203.17963	40.8
205.19475	18.6
207.17409	26.8
215.17926	14.5
217.19489	27.4
229.19559	11.3
231.21109	8.9
233.18796	3.7
241.19548	4.9
243.21162	7.4
245.22667	11.4
247.20325	2.6
255.21133	4.1
257.22794	8.0
259.24170	5.3
265.84305	3.2
269.22403	5.5
271.24225	15.7
283.24277	4.8
285.25748	5.3
297.25717	7.1
315.27106	3.8
329.28378	4.7
365.32248	5.9
407.37051	36.3
425.21411	4.9
425.38147	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81884	0.4
52.89043	0.4
53.03946	0.7
54.32577	0.5
55.05514	4.2
57.07074	1.5
57.39247	0.5
58.20071	0.5
65.03934	1.2
66.46224	0.5
67.05511	30.4
69.07069	7.4
71.04993	0.5
71.78758	0.6
79.05501	4.2
81.07065	15.3
83.08622	2.1
91.05486	4.0
93.07057	8.9
94.62385	0.7
95.08619	13.8
97.10191	1.7
105.07034	8.8
107.08604	13.0
109.10167	100.0
119.08592	8.3
121.10151	10.1
123.11729	5.0
126.95161	0.5
129.06952	0.7
131.08612	2.6
133.10141	8.3
135.08069	0.8
135.11705	8.5
135.95984	0.6
137.13264	1.4
143.08614	0.6
145.10141	3.8
147.08031	0.9
147.11705	6.2
149.13271	4.5
151.11122	0.5
157.10139	1.9
159.11688	3.5
161.09644	1.1
161.13266	4.8
163.14833	3.5
171.11621	0.7
173.13307	2.6
175.14827	2.9
177.16425	1.4
179.14334	1.3
183.11777	0.7
185.13295	1.5
187.14882	1.6
189.16354	4.4
191.14343	0.5
191.17918	4.9
199.14803	1.2
201.12845	0.5
201.16391	1.6
203.14398	4.5
203.17981	6.3
205.15845	0.7
205.19493	1.2
207.17513	1.8
213.16449	1.0
215.17995	1.9
217.19548	4.3
219.21191	0.8
225.46826	0.5
227.17834	0.6
229.19521	0.8
271.20667	1.0
271.24030	0.7
310.12891	0.5
339.11160	0.5
369.31747	0.8
405.85147	0.5
407.32986	2.0
407.37778	2.4
425.33209	10.0
425.38449	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	425.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.49620	0.6
55.05511	4.5
56.39071	0.6
56.70038	0.7
56.95196	0.6
57.07079	1.6
64.94357	0.6
67.05508	26.0
69.07074	7.0
70.83644	1.1
70.84003	1.4
71.04986	0.7
71.08626	0.7
79.05494	4.9
79.42229	0.6
81.07061	18.4
83.08614	2.8
87.04458	1.3
89.06030	2.0
91.05474	5.0
93.07044	11.8
95.08610	21.8
97.06544	3.1
97.10183	1.5
105.07027	10.3
107.08601	15.5
109.06538	0.9
109.10161	90.2
110.10523	0.7
111.08104	1.1
111.11735	1.4
111.14874	0.7
117.07082	1.1
119.08591	13.2
121.10159	14.0
123.08080	1.0
123.11728	6.0
131.08586	3.5
133.10141	10.4
135.11707	10.1
137.13264	3.2
143.08595	1.2
145.10126	5.9
147.11693	10.2
149.13264	6.8
151.14813	1.1
157.10133	2.2
159.11708	5.0
161.09682	1.1
161.13249	7.1
163.14815	5.5
165.12802	0.8
169.10114	1.4
171.11728	2.4
173.13351	3.5
175.14836	3.9
177.16400	3.1
179.14238	0.8
181.10110	0.9
185.13327	3.6
187.14882	4.7
189.12923	0.7
189.16400	8.3
191.17984	6.4
199.14882	2.6
201.16380	4.0
203.14348	2.6
203.17963	8.4
205.15895	1.8
205.19554	0.8
207.17499	2.5
211.14902	1.2
213.16417	1.3
215.17995	3.1
217.15959	1.9
217.19543	7.6
221.19017	1.1
227.18027	1.5
228.18611	0.7
229.19536	2.4
235.20564	2.0
239.14914	1.3
240.15298	1.0
243.21129	1.6
253.19589	1.3
255.21153	0.9
257.22537	1.2
267.21143	0.8
269.22595	1.0
279.21194	0.7
281.13614	2.7
297.96948	0.8
365.19324	12.4
369.31689	1.3
389.32010	1.4
407.32388	3.3
407.37540	1.1
425.21503	100.0
425.33334	20.3
425.38489	5.5
426.21695	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03952	2.5
55.05519	14.0
55.48230	1.6
57.07082	5.6
65.76147	1.6
67.05513	34.0
69.07068	22.8
69.41853	13.3
71.08624	1.8
79.05502	16.0
81.07066	65.9
83.04984	2.4
83.08620	12.2
91.05481	12.4
93.07053	40.9
93.07629	2.6
95.04965	3.2
95.08617	100.0
97.06563	4.5
97.10194	8.8
105.07044	32.5
105.07753	1.8
106.07378	1.7
107.05000	2.0
107.08602	73.2
109.06556	2.3
109.10168	85.3
109.38120	1.7
111.08103	4.4
111.11743	4.4
117.07057	2.2
119.08594	38.7
121.10160	58.8
123.08137	5.3
123.11719	31.7
125.09659	6.4
125.19513	1.9
127.11144	2.0
129.06973	1.9
131.08620	5.7
133.10149	34.6
133.11084	2.6
135.08124	2.5
135.11690	49.5
137.13271	15.1
143.08601	2.1
145.10124	14.9
147.11710	34.9
147.12802	3.0
149.13275	34.8
151.14870	5.9
157.10178	3.0
159.11714	15.4
161.13271	30.7
163.14833	23.0
163.16103	2.3
165.12767	4.1
165.16353	1.8
171.11674	2.0
173.13306	8.2
175.14876	18.3
177.16429	10.7
179.14291	9.2
185.13290	2.4
187.14873	10.6
189.16385	24.4
191.17976	46.6
199.14862	2.1
201.16422	16.2
203.17979	27.2
203.19763	2.4
205.15970	3.2
205.19530	12.2
207.17444	9.6
213.16579	1.9
215.17998	13.5
217.19524	37.1
217.50583	1.9
219.17502	2.1
219.21152	4.0
221.19124	2.9
229.19495	4.7
231.21198	2.3
233.19098	4.5
235.20619	4.2
243.21277	5.1
245.22737	4.3
257.22784	6.0
259.24304	1.7
269.22708	2.3
271.24484	4.0
297.25974	2.4
299.27509	2.7
318.33142	1.8
379.19040	1.8
407.36813	20.9
425.17929	2.6
425.38016	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.73753	1.1
53.03954	3.9
55.05514	12.5
57.07084	5.6
60.87247	1.0
61.42204	1.2
65.03907	1.4
67.05169	2.5
67.05511	35.9
69.03430	1.4
69.07072	26.3
71.08649	2.4
71.28726	2.8
77.03929	1.9
79.05502	17.1
81.07063	69.0
82.95004	1.2
83.08623	10.9
90.18390	1.3
91.05489	14.3
93.07049	42.5
95.08616	100.0
97.06523	5.0
97.10184	8.3
105.07037	35.8
107.08604	67.6
109.06525	1.2
109.10165	97.3
111.08073	2.7
111.11725	3.7
119.08592	40.9
121.10150	60.3
123.08122	2.4
123.11723	30.7
125.09654	5.4
127.11213	3.2
131.08568	6.6
133.10143	32.9
135.11713	46.9
137.09653	1.6
137.13266	19.5
143.08574	2.7
145.10155	11.4
147.08116	1.3
147.11703	34.5
149.13272	35.1
151.11359	1.3
151.14862	3.3
157.10179	2.6
159.11734	16.5
161.13272	26.9
163.14836	22.5
165.12700	2.0
165.16412	1.6
169.10168	1.6
171.11668	2.0
173.13284	9.1
175.14851	16.4
177.12958	1.3
177.16389	9.9
179.14374	6.8
179.17850	1.4
185.13316	1.8
185.66327	1.2
187.14818	8.0
189.16408	23.8
191.17963	45.4
193.15935	1.9
199.14961	2.4
201.16399	15.7
203.14330	6.2
203.17976	27.0
205.15950	4.2
205.19518	13.4
207.17490	8.9
213.16411	2.2
215.17953	11.6
217.16049	1.7
217.19540	32.7
219.17500	3.0
219.21135	4.8
221.19095	3.5
227.18059	1.7
229.19551	4.6
231.21098	3.7
233.19058	4.6
235.20480	3.0
241.19563	3.6
243.21198	3.1
245.22781	5.1
255.21104	2.5
257.22693	4.7
259.24219	1.3
271.24240	3.2
297.25754	2.6
299.27469	2.5
313.19159	1.4
407.32321	1.6
407.37070	16.3
425.33569	16.9
425.38666	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03926	3.1
55.05511	15.3
57.07065	5.7
57.59308	1.5
57.84591	1.4
62.50701	1.3
65.03944	1.7
67.05507	36.8
69.03403	2.8
69.07069	25.7
70.85185	2.3
70.85516	2.5
71.04995	1.5
71.08613	2.5
79.05494	18.1
81.07060	64.8
83.08618	11.2
91.05483	16.9
93.07049	37.2
95.08611	94.8
97.06538	7.7
97.10171	8.7
99.08083	1.9
105.06379	2.6
105.07034	32.4
107.08597	65.5
109.06491	3.0
109.10162	100.0
110.40929	1.4
111.08073	3.7
111.11726	5.6
117.07038	4.2
117.31767	1.5
119.08588	44.5
121.10145	50.8
123.08073	3.5
123.11715	31.7
125.09644	6.8
127.11185	2.2
131.08586	9.0
133.09126	1.5
133.10132	31.6
135.10683	2.6
135.11697	46.0
137.09656	2.3
137.13258	20.0
143.08577	2.0
145.10132	12.6
147.11697	26.3
149.13251	30.9
151.11214	2.4
151.14818	4.4
155.08559	1.7
157.10133	3.0
159.11699	16.7
161.13277	27.8
163.14839	21.5
165.12788	1.6
165.16441	1.9
166.31125	1.5
171.11653	1.8
173.11789	4.4
173.13301	10.1
175.14812	15.6
177.16383	11.7
179.14359	7.4
185.13356	3.3
187.14848	6.8
189.16374	21.5
191.14575	1.4
191.16222	2.0
191.17955	41.0
193.19516	1.5
199.14830	2.2
201.16434	11.9
203.14330	4.6
203.17963	26.5
205.15880	3.7
205.19493	8.9
207.17447	9.4
213.16519	2.3
215.17917	12.3
217.16039	1.8
217.19553	31.6
219.17500	2.4
219.21075	4.6
221.19078	2.2
227.18022	3.4
229.19493	3.2
231.21170	3.0
233.19054	4.4
235.20518	3.2
243.21255	3.8
245.22726	4.2
255.21130	2.6
257.22623	2.8
269.22659	2.0
271.24286	2.8
297.25708	1.7
299.27298	3.4
325.28714	1.9
337.28751	2.1
369.31604	1.8
369.68903	1.8
407.36951	17.9
425.26639	66.0
425.33170	6.8
425.38403	55.9
426.27017	1.6
426.37701	2.0
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	Pachysandienol B
Peak:m/z	Relative Intensity
52.53150	2.3
53.03957	2.7
55.05511	11.0
57.07060	5.3
57.27233	2.1
67.05507	19.0
69.07075	22.0
71.09677	3.0
79.05495	13.1
81.06591	2.6
81.07063	54.4
83.08612	7.5
91.05472	11.7
93.07047	43.0
95.08609	100.0
97.10148	10.3
105.07023	33.6
107.08604	65.1
109.09472	4.0
109.10165	58.2
111.11702	3.9
119.08591	32.3
121.09317	4.1
121.10151	62.8
123.08128	3.3
123.11720	27.8
125.09673	3.6
131.08582	3.1
133.10126	30.0
135.11708	38.1
137.13268	10.4
139.11179	5.2
145.10109	9.2
147.11697	30.1
149.13261	36.6
151.14810	2.6
159.11673	10.0
161.13255	28.0
163.14821	29.6
164.18559	2.4
165.12811	3.4
173.13261	10.0
175.14851	16.0
177.16382	21.4
179.14282	8.3
187.14801	9.1
189.16386	19.9
191.17961	72.1
198.21764	2.1
201.16385	8.2
203.17995	21.3
205.19510	24.3
213.16354	2.6
215.18039	11.5
215.98575	2.2
217.19522	43.9
221.18964	3.3
229.19490	8.4
231.21144	9.5
233.19069	11.7
235.20602	13.7
245.22668	8.2
247.20573	3.6
257.22797	3.7
397.38538	2.9
407.36917	19.5
425.37872	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03935	1.7
55.05517	8.4
57.07085	7.6
66.12505	1.4
67.05511	20.9
69.07072	18.5
69.79108	7.8
71.08638	2.9
74.88737	1.6
79.05493	11.6
81.07061	65.8
83.08298	1.0
83.08625	11.0
83.80999	1.5
89.40953	1.3
91.05471	10.1
93.07056	22.1
95.08614	100.0
96.78127	1.2
97.10169	5.5
105.07034	18.4
107.08603	30.9
109.10164	37.4
111.11761	3.1
116.40777	1.4
117.06998	2.9
119.08578	19.4
121.10158	22.5
123.11713	25.6
129.06908	2.3
131.08551	8.9
133.10143	16.2
135.11705	18.7
137.13263	46.7
143.08548	4.8
145.10117	15.2
147.11681	14.1
149.13258	20.1
151.14842	4.3
157.10086	3.9
159.11705	11.5
161.13258	12.3
163.14848	8.2
169.02631	1.6
169.57962	1.5
171.11705	6.2
173.13310	7.8
175.14874	8.0
177.16441	7.2
179.17952	3.3
185.13243	4.7
187.14848	8.7
189.16394	12.5
191.17986	9.6
199.14833	5.8
201.16415	10.1
203.14255	1.5
203.17914	8.5
205.15930	1.3
205.19565	7.1
207.17404	3.7
213.16344	8.2
215.17993	6.9
217.19510	12.2
219.17418	3.9
219.21042	2.0
227.18008	6.9
229.19659	8.7
231.21071	2.0
233.18979	2.9
236.19261	1.7
241.19611	2.4
245.18922	2.4
245.22772	2.3
247.20605	3.3
255.21077	4.5
257.22644	6.3
269.22589	4.4
275.23770	3.0
283.24191	6.2
287.23590	2.0
301.25232	1.9
313.27405	3.7
397.38092	2.3
407.36719	20.5
425.21411	5.1
425.38062	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	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03959	2.0
55.05516	15.0
57.07084	4.5
65.03948	2.1
66.32088	1.2
67.05509	38.1
69.07071	24.5
69.54429	9.1
71.05041	1.1
79.05492	16.2
80.76189	1.3
81.07064	53.5
82.07482	1.6
83.08623	11.4
85.06560	1.5
91.05481	16.8
93.07056	34.4
93.07613	1.8
95.05003	2.8
95.08613	81.1
96.08974	1.8
97.06571	3.8
97.10197	4.4
98.20791	1.5
99.44320	1.3
105.07037	33.7
105.63853	1.4
107.08597	56.2
109.06538	2.5
109.10164	100.0
110.10519	1.9
111.08122	2.7
111.11789	2.2
117.07086	3.5
119.08589	42.5
121.10152	46.4
123.08094	2.1
123.11726	25.2
125.09702	3.7
127.11247	1.9
129.07001	2.0
131.08594	9.8
133.10144	32.9
135.11710	38.9
135.12683	2.5
135.43159	1.2
137.13252	14.0
141.52226	1.3
143.08647	3.4
145.10150	14.7
147.11699	30.9
147.12752	2.5
149.09688	1.4
149.13278	26.6
151.11273	3.6
151.14835	3.2
157.10220	2.5
159.11716	15.4
159.12872	1.5
161.13278	26.2
161.14572	1.4
163.14830	17.4
165.12840	2.4
171.11719	2.2
173.13289	8.4
175.14818	13.7
177.16371	8.0
179.14345	6.4
184.07492	1.7
185.13377	3.6
187.14818	6.8
189.16385	18.6
191.17960	24.3
191.19508	1.4
193.19568	1.5
197.13277	1.4
199.14911	3.4
201.16394	11.6
203.17969	27.9
203.19669	1.8
205.15987	2.8
205.19460	9.4
207.17462	9.7
213.16541	3.1
215.17989	11.8
217.19550	25.1
217.21544	1.7
219.17651	2.0
219.21091	2.5
221.19110	2.5
225.16463	1.8
227.18079	2.6
229.19659	3.7
233.19104	3.2
235.20416	1.3
241.19518	1.7
243.21248	3.6
245.22737	3.2
255.21242	5.8
257.22833	2.8
259.24197	2.4
271.24353	3.9
283.24384	1.4
285.25882	1.6
287.23904	1.5
297.25836	3.1
315.26956	1.8
325.29004	2.1
341.28369	1.5
351.18552	1.8
365.32098	1.5
369.31567	1.9
383.61951	1.3
407.36844	19.6
413.29810	2.0
425.28345	2.9
425.38049	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.66158	8.2
57.07070	10.6
63.22745	8.2
67.05503	39.3
69.07071	38.7
74.23070	7.5
79.05482	9.2
80.40046	7.5
81.07073	46.5
83.08613	15.7
89.06045	17.4
91.05477	11.9
91.23501	7.3
93.07058	29.2
95.08611	100.0
97.32232	7.9
98.20714	15.4
98.21385	35.9
105.07038	24.0
107.08624	46.0
109.10172	75.1
114.51390	8.9
119.08602	29.0
121.10114	46.2
123.11725	22.7
133.08603	9.8
133.10127	35.1
135.11705	31.3
137.13251	22.2
147.11716	22.1
149.13289	19.0
159.11739	17.0
161.13318	19.2
163.14790	18.1
175.14830	26.4
177.16443	15.5
184.07401	11.5
187.14885	10.3
189.16412	24.7
191.17958	29.8
203.18085	11.8
205.19557	19.4
215.17973	12.2
217.19597	16.1
219.21141	12.2
239.14784	11.7
243.21207	9.2
245.22713	19.8
379.90668	8.4
407.36661	28.3
411.57458	9.9
425.21530	16.8
425.38165	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05516	11.1
57.07067	6.8
67.05511	21.1
69.07070	27.1
69.21927	4.1
69.22342	15.8
69.93523	1.7
79.05488	14.5
81.07062	51.0
83.08613	13.2
89.06042	2.2
91.05494	12.2
93.07044	32.5
95.08612	86.3
97.10199	5.0
105.07040	20.8
107.08602	57.8
109.10166	69.9
111.08098	3.5
111.11749	8.3
117.06998	2.5
119.08589	35.6
121.10151	49.8
123.08078	2.0
123.11720	35.4
125.13302	4.3
131.08603	7.9
133.10136	37.4
135.11693	39.4
137.13271	14.9
143.08572	3.3
145.10133	13.9
147.11708	27.2
149.13290	25.1
151.14807	3.1
157.10175	4.1
159.11708	12.1
161.13284	17.0
163.14842	25.1
167.14258	1.8
171.11787	3.3
173.13268	13.2
175.14824	18.9
177.16435	16.3
179.14259	2.6
179.18011	3.9
185.13329	4.3
187.14821	12.5
189.16393	17.0
191.14349	1.9
191.17961	16.4
199.14925	4.3
201.16409	9.8
203.14401	3.5
203.17938	8.8
205.19504	11.2
207.17534	8.1
213.16478	3.0
215.17889	9.2
217.19498	16.3
219.17542	1.9
219.21214	3.1
227.18083	3.7
229.19597	7.4
231.21086	9.1
233.19119	4.6
239.56366	1.9
241.19508	2.2
243.21150	13.5
245.22729	14.9
247.20618	2.2
255.21190	3.4
257.22681	9.0
259.24329	8.1
261.22067	4.8
269.22641	13.7
271.24231	12.2
273.25748	2.2
283.24356	3.7
285.25864	9.1
287.23721	2.4
297.25848	2.4
311.27298	4.4
323.27478	2.6
329.28537	7.6
407.36789	32.4
408.98703	2.0
425.21918	3.9
425.37933	100.0
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
52.80252	1.6
53.03938	2.0
55.05512	15.7
57.07057	4.5
59.26831	1.5
65.03955	1.4
67.05176	1.7
67.05505	30.9
67.56052	1.4
69.06727	1.8
69.07065	24.7
69.08843	1.4
70.76703	4.4
70.77055	1.7
71.04997	2.0
76.07099	1.5
79.05495	17.4
81.07057	57.3
83.08614	14.2
91.05473	17.6
92.38532	1.6
93.07043	50.6
95.04917	4.6
95.08607	100.0
97.06515	1.7
97.10184	10.6
98.97567	3.6
99.08058	1.7
103.05428	1.8
105.07034	43.7
107.08594	68.9
109.06487	2.5
109.10158	65.7
111.08073	2.7
111.11694	2.6
117.06969	4.5
119.08580	53.2
121.06493	1.7
121.10146	59.3
123.08033	3.1
123.11704	28.0
125.09558	5.6
129.06985	2.0
131.08565	15.2
133.10127	43.3
135.08026	2.5
135.10706	2.1
135.11690	38.9
137.09554	2.5
137.13251	11.9
137.82462	1.6
139.11134	6.5
143.08485	7.3
145.10129	20.4
147.11697	34.9
149.09560	1.9
149.13257	32.4
150.13509	1.9
151.11147	2.0
151.14774	2.5
157.10139	10.2
158.10872	1.9
159.11668	16.3
161.09543	2.5
161.13269	29.1
163.11087	2.1
163.14828	19.8
165.09064	6.1
165.12724	2.7
169.10120	2.6
170.10739	1.7
171.11621	6.9
173.13281	12.9
175.14828	22.1
177.12708	2.5
177.16367	19.7
179.14273	4.4
183.11620	3.7
185.13304	8.8
187.14819	15.3
189.12723	3.6
189.16412	19.6
191.17949	67.6
192.18214	2.2
192.46355	1.6
193.16017	1.9
197.13190	3.0
199.14806	5.9
201.16350	11.8
203.14302	9.0
203.17967	18.7
205.15742	4.8
205.19508	17.4
207.17368	4.1
211.14682	2.9
213.16295	4.8
215.17876	11.4
217.15981	3.8
217.19527	40.3
218.23524	1.9
219.01756	4.0
219.13675	6.8
219.17456	2.6
221.15355	2.3
221.18924	4.8
223.14792	3.1
225.16286	3.1
227.17908	3.9
227.20120	1.7
229.19398	5.4
231.17316	2.2
231.21048	2.9
233.19061	8.9
235.16844	2.3
235.20570	15.6
237.02831	1.9
241.19438	4.1
243.21112	2.6
245.22614	3.2
247.20505	3.5
253.19452	1.8
255.20982	3.1
257.22537	2.1
259.20517	1.9
271.24170	1.7
317.42795	1.9
321.25882	3.4
333.25400	1.8
340.23242	1.9
389.32016	2.6
407.32925	19.9
407.36923	2.3
425.33844	63.1
426.34174	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	425.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55965	1.3
52.42407	1.6
53.03920	2.0
55.05516	13.0
55.20813	1.3
57.03421	2.5
57.07080	8.2
57.90001	1.4
58.14365	1.6
65.03915	2.2
67.05514	30.2
69.03402	2.7
69.07073	30.0
69.48321	8.6
71.04967	2.9
75.93927	1.7
79.05501	22.5
81.07064	64.9
83.04955	2.0
83.08621	13.0
85.06523	1.7
91.05485	24.0
93.07052	54.6
95.04923	3.4
95.08614	100.0
97.06490	3.0
97.10196	7.3
97.10672	1.6
98.20733	2.0
99.08053	6.2
105.07042	48.5
107.08602	82.8
109.06465	4.7
109.10163	72.5
111.08027	6.2
111.08702	1.5
111.11639	2.5
115.05450	1.9
117.06968	6.3
119.08591	81.3
121.06456	3.3
121.10153	66.6
123.07991	5.8
123.11713	27.1
125.09574	2.4
127.11220	1.7
129.06989	2.2
131.08575	27.2
133.10144	50.7
135.07976	4.8
135.11711	44.2
137.09586	2.7
137.13258	14.0
139.11142	2.4
143.08588	9.2
145.10138	34.2
147.11697	58.6
149.09575	3.5
149.13254	37.7
151.11070	3.9
151.14786	2.8
155.08557	2.8
157.10103	9.2
158.10721	2.7
159.11710	35.5
160.12309	1.9
161.09576	1.6
161.13261	31.9
163.11076	4.8
163.14842	29.3
165.08965	1.6
165.12732	3.3
169.10121	3.4
170.10832	2.3
171.11697	9.4
172.12421	1.9
173.11993	2.1
173.13266	24.2
174.13908	1.8
175.11140	3.5
175.14839	29.4
177.12651	4.1
177.16402	17.6
179.14211	6.6
179.73711	1.5
183.11583	3.1
185.13319	12.7
186.13972	1.5
187.14836	33.3
189.12608	2.6
189.16403	32.0
191.14272	2.6
191.17963	35.4
197.13118	4.5
199.14819	8.3
201.12482	1.8
201.16408	47.4
203.14351	11.1
203.17978	35.5
205.15887	23.8
205.19536	12.6
207.17432	11.9
211.14778	3.5
213.16409	7.2
215.14279	1.3
215.17975	14.6
217.15790	4.6
217.19528	32.5
219.13698	4.3
219.17432	7.6
219.20876	2.3
221.15337	3.7
221.18805	3.9
223.16917	3.3
225.16232	2.1
227.17780	4.5
229.15793	2.4
229.19345	6.1
231.17310	1.9
231.20953	3.4
233.18968	4.2
235.16858	2.0
235.20387	4.4
241.19363	4.8
243.20847	2.6
245.18896	2.5
245.22554	3.7
253.19479	3.6
255.20868	6.3
257.22437	2.9
269.22452	4.4
271.23947	2.6
279.03683	2.7
283.24051	1.5
295.24026	1.7
297.25684	1.9
321.04727	3.5
325.40106	1.5
377.31757	2.3
389.31854	3.3
395.33017	2.0
407.32697	20.3
407.36771	4.1
425.33670	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.5
57.07083	5.9
67.05505	20.5
69.07071	16.8
69.27873	7.4
69.28280	2.2
71.08630	2.1
79.05491	11.2
81.07059	60.0
83.08632	9.7
85.06538	1.8
91.05492	9.6
93.07043	27.3
95.08609	100.0
97.10172	6.0
105.07040	19.7
107.08601	41.4
109.06519	1.3
109.10165	51.5
111.08098	2.8
111.11745	3.0
113.32752	1.1
117.07005	1.7
119.08591	24.6
121.10149	37.9
123.11716	25.3
123.12579	1.6
125.09641	1.9
131.08597	4.5
133.10126	17.6
135.11690	23.9
137.13260	35.6
139.11247	1.4
143.08627	1.5
145.10120	6.1
147.11690	19.0
149.13264	21.6
151.14835	2.5
155.38260	1.4
157.10138	1.4
159.11688	8.1
161.13266	17.1
163.14850	14.6
163.83377	1.2
165.12691	1.5
171.11700	1.0
173.13293	7.2
175.14836	12.5
177.12759	1.1
177.16406	14.6
179.14336	1.9
179.18016	4.1
185.13359	1.4
187.14804	5.8
189.16402	11.2
191.17949	42.8
199.14890	2.1
201.16415	6.9
203.17957	16.0
205.19522	8.8
207.17529	2.4
213.16324	1.9
215.17963	5.8
217.19518	30.5
217.21558	1.8
219.17419	1.3
219.21143	1.9
221.19064	2.1
227.18077	2.0
229.19417	7.0
231.17366	1.2
231.21201	3.4
233.19173	3.7
235.18674	1.1
235.20549	5.6
243.21198	1.8
245.19051	2.8
245.22754	4.3
247.20651	5.5
257.22736	2.6
269.22800	1.1
275.23828	2.3
283.24399	1.4
313.29349	1.1
395.36853	4.6
397.38434	4.8
407.36877	8.4
425.38031	39.8
425.43530	2.1
426.38535	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.05518	15.5
57.07072	5.7
65.03939	2.5
67.05508	38.2
69.03436	2.2
69.07069	24.0
69.99695	5.8
71.05000	2.4
71.08638	2.2
79.05496	17.2
80.31384	1.1
81.07060	61.3
83.04958	1.6
83.08616	10.9
85.02934	2.0
91.05480	15.5
93.07049	47.6
95.04957	1.9
95.08609	96.8
97.02923	3.5
97.06538	7.2
97.10175	4.3
98.97612	4.1
99.08086	2.1
103.57737	1.2
105.07037	38.0
107.08601	68.7
108.08851	1.8
109.06565	3.2
109.10160	100.0
110.10517	1.6
111.08080	4.5
111.11725	3.4
116.98651	1.4
117.07025	4.7
119.08585	46.0
120.09356	1.2
121.06475	1.5
121.10149	54.6
123.08105	3.3
123.11709	26.7
125.09655	7.5
125.10470	1.3
125.13224	1.3
127.11197	3.9
129.07007	2.2
131.08585	10.9
133.10143	36.2
135.08105	1.5
135.11697	46.6
136.12006	1.5
137.05989	2.9
137.13249	14.5
143.08557	3.9
144.09349	2.1
145.02734	1.3
145.10141	17.5
147.04485	1.6
147.11699	30.3
149.09607	1.9
149.13268	31.6
151.11296	1.5
157.10123	5.3
158.10812	1.7
158.99702	2.2
159.11697	19.9
161.13268	28.6
163.14848	13.8
165.09181	2.2
165.12753	1.4
169.10243	1.8
171.11696	4.6
173.13257	11.4
175.14856	12.1
177.05475	3.2
177.12704	1.7
177.16432	10.2
179.14333	3.1
185.03006	1.3
185.13289	4.2
187.14835	9.2
189.16391	21.0
191.14268	1.8
191.17957	59.6
197.13293	1.5
199.14774	2.7
200.01918	1.2
201.16389	16.8
203.14378	2.5
203.17958	20.2
205.15898	4.7
205.19577	8.1
207.17545	2.9
211.14694	1.3
213.16417	2.4
215.17943	9.7
217.15953	2.9
217.19524	23.8
219.01785	2.7
219.17458	2.8
219.21071	2.5
227.18037	2.3
229.19525	2.7
231.17479	1.6
233.19016	4.1
235.20540	4.6
237.02809	3.0
239.18060	1.4
241.19356	1.5
243.21159	2.5
245.22839	1.8
253.19652	1.6
255.21193	2.5
257.22723	4.5
259.20563	1.6
259.24142	1.9
261.02823	1.9
271.24063	1.8
273.22079	1.4
279.03952	3.1
297.25497	1.4
299.27148	2.6
315.26987	1.4
321.05148	2.0
341.31946	1.4
404.21317	2.0
407.32684	4.5
407.37476	10.4
425.38553	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	425.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.05513	17.9
56.96548	7.7
57.07069	5.7
57.38839	1.8
65.03925	3.0
67.05508	33.0
67.16530	1.8
69.03432	2.7
69.07068	29.6
71.04968	4.0
71.08626	2.4
71.58131	4.3
79.05495	21.5
81.03432	2.4
81.06586	3.6
81.07059	64.9
83.04974	4.8
83.08630	12.5
84.96026	2.2
85.02912	3.0
85.06493	1.9
88.25275	1.9
91.00611	2.2
91.05481	22.6
91.87798	1.9
93.06490	2.7
93.07051	49.3
95.04951	3.1
95.08608	100.0
96.08931	3.7
97.02893	4.2
97.06515	3.5
97.10158	5.4
98.97604	13.1
99.08064	3.3
103.05411	2.3
105.04507	1.9
105.07038	48.1
107.08601	79.3
109.06509	3.7
109.10157	76.7
110.97564	3.4
111.08073	5.3
116.98611	3.6
117.07015	6.6
119.08582	61.1
121.06509	3.5
121.10143	50.5
123.08073	7.6
123.11716	28.5
125.09615	3.7
129.07014	3.2
131.08569	19.7
133.10132	50.0
135.08064	3.7
135.11697	46.4
137.09575	3.0
137.13249	16.1
141.38116	2.0
142.07739	2.9
143.01891	2.4
143.08597	10.4
145.10123	28.3
146.42519	2.0
147.08067	2.1
147.10660	3.7
147.11703	50.0
149.09622	2.8
149.13263	29.8
151.11142	2.8
151.14749	2.8
155.08484	2.6
156.09433	2.3
157.10114	10.5
158.99654	3.5
159.11697	26.7
161.09645	3.6
161.13263	31.3
163.03970	2.3
163.14850	24.3
165.09103	9.4
165.12717	3.3
165.16425	2.2
169.10132	2.8
171.11707	10.5
173.13289	17.8
175.14856	21.8
177.00679	3.7
177.05461	5.5
177.12854	2.7
177.16435	12.5
178.01350	2.0
179.14352	11.8
183.11650	5.9
185.13245	8.0
187.14845	14.5
189.16365	30.3
191.03894	3.7
191.17946	32.0
196.36797	2.4
197.13203	4.2
199.14859	10.1
201.00679	2.5
201.12691	2.6
201.16432	16.1
203.10753	3.4
203.14394	14.4
203.17960	29.3
205.15874	13.1
205.19537	9.0
207.17436	10.9
210.18570	2.9
211.14806	3.4
213.16365	8.8
215.18024	16.2
217.15887	6.2
217.19511	30.1
219.01724	13.0
219.17439	2.4
219.21114	3.2
221.04976	2.1
221.15422	3.2
225.16292	3.8
227.17790	3.6
229.19514	7.7
231.17290	3.0
233.18980	3.5
237.02855	11.6
239.17986	2.7
241.19514	2.7
243.21019	3.8
245.05090	7.2
245.18802	3.1
245.22600	5.6
251.92429	2.5
253.19395	2.6
255.21057	3.3
257.22705	3.1
261.02774	8.2
263.06195	2.9
269.03229	3.6
269.22540	2.7
271.20490	3.7
271.24420	2.7
279.03854	17.9
281.22849	3.3
285.22134	6.6
285.25443	2.9
299.27451	3.0
305.07159	4.5
311.27283	2.3
321.04947	11.7
333.02936	2.9
363.22348	2.2
369.31293	2.3
379.33658	4.3
389.32037	2.7
404.21277	9.6
404.71487	10.4
407.32373	14.1
407.36887	10.0
425.33490	63.0
425.38327	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	425.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.05510	19.0
55.60849	1.9
56.96566	4.9
57.07072	7.7
57.65162	1.8
65.03942	3.5
67.05508	38.0
67.10100	1.6
69.03437	3.6
69.07074	35.0
71.04996	2.5
71.58718	2.4
79.05500	22.4
81.07064	76.0
83.08613	11.0
85.02924	1.7
91.05482	25.8
93.06470	3.5
93.07056	52.2
95.08614	100.0
97.02911	2.6
97.06528	4.8
97.10165	6.9
98.97557	4.9
105.07039	49.1
107.08604	87.7
109.06532	3.2
109.10164	92.0
110.97561	1.7
111.08079	5.6
111.11732	2.2
115.05400	1.9
117.07014	6.0
117.81750	1.8
119.08590	68.1
121.06490	5.2
121.10152	69.2
123.08039	4.1
123.11720	33.3
125.09624	4.2
125.13281	1.9
129.06995	4.8
131.08586	17.4
133.09129	2.4
133.10144	49.6
135.08069	2.6
135.11697	54.2
137.09627	2.9
137.13284	16.0
139.11186	2.3
143.08583	8.0
144.09314	2.9
145.10130	25.6
147.08141	2.3
147.11691	45.5
147.12778	3.0
149.09668	3.7
149.13272	35.5
151.11205	2.4
151.14803	2.8
155.08665	2.0
157.10127	10.5
158.10927	2.6
158.99669	2.2
159.11703	27.6
161.09557	3.0
161.13269	36.4
163.03831	2.1
163.11215	3.9
163.14839	29.8
165.09123	9.7
165.12805	3.5
169.10069	2.9
171.11696	10.3
173.13268	20.5
175.11156	2.6
175.14853	23.3
177.05501	3.9
177.12798	2.0
177.16376	16.7
179.14308	9.2
183.11720	2.5
185.13214	9.1
186.13794	2.2
187.14832	23.3
187.63013	1.9
189.12767	2.7
189.16400	32.0
191.14279	5.0
191.17946	33.9
193.15875	2.2
197.13316	3.3
199.14864	7.3
201.16399	23.8
203.14261	9.1
203.17973	35.3
205.15860	10.8
205.19553	11.6
207.17465	13.4
211.14832	2.5
213.16403	7.3
215.17975	15.6
217.15962	5.6
217.19543	29.0
219.01825	5.9
219.17464	5.2
219.21085	3.0
221.19064	3.4
225.16342	1.9
226.16965	1.8
227.18034	5.3
229.19551	6.3
231.21121	3.4
233.19121	2.4
234.57669	1.8
235.16998	1.7
235.20581	2.7
237.02812	4.7
241.19562	10.8
243.21178	3.2
245.04977	2.2
245.22762	4.0
251.17648	2.4
253.19684	2.2
255.21109	3.7
257.22662	3.1
261.02667	2.0
269.22662	3.4
271.24081	2.4
273.22134	2.3
279.03897	4.6
281.22650	2.3
297.25858	3.1
299.27438	2.2
305.07254	2.4
321.04944	3.3
383.33368	2.1
389.31961	6.0
395.33163	1.8
407.32220	16.4
407.36884	12.1
425.18762	2.1
425.33194	52.7
425.38150	29.0
426.34766	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	425.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.05305	1.3
55.05517	15.2
56.96564	2.1
57.03428	1.3
57.07065	6.4
57.31025	1.6
63.06938	1.2
65.03928	2.1
67.05180	1.6
67.05513	31.3
69.03428	2.0
69.07069	26.5
70.73278	3.6
71.04987	2.0
72.29709	1.4
73.02910	2.7
77.03933	1.6
79.05495	20.1
81.07063	67.2
83.08628	14.9
85.28645	1.4
85.36021	1.3
87.76672	1.4
91.05472	16.0
93.07049	49.5
95.04941	2.0
95.08613	100.0
96.08954	1.3
97.06537	4.5
97.10174	7.4
98.97595	5.2
101.89574	1.7
103.05444	1.4
105.04547	1.3
105.07037	45.1
107.08602	74.1
108.08952	1.6
109.06496	2.7
109.10162	95.6
110.97567	2.1
111.08090	3.2
111.11748	3.1
117.07003	2.5
119.08598	46.9
121.10152	61.9
123.08041	2.2
123.11717	33.0
125.09623	6.6
127.11171	2.5
131.08578	10.0
133.10149	34.2
135.08051	2.0
135.11700	49.6
137.05997	1.9
137.09596	1.9
137.13246	13.0
139.11176	1.8
143.08560	3.5
144.09169	1.5
145.10124	18.7
147.11707	35.4
149.13264	34.7
151.14803	3.5
153.09126	2.0
157.10115	5.6
159.11714	16.6
161.13280	24.5
163.14821	19.6
165.09155	1.9
165.16362	1.5
171.11707	3.8
171.60277	1.6
173.13237	9.9
175.14835	18.8
177.16379	24.7
179.14310	2.7
180.06618	1.8
183.11667	1.5
185.13272	2.8
187.14827	9.5
189.16415	30.9
191.17969	53.3
199.14796	2.7
201.16455	11.6
203.17957	32.3
205.19571	14.2
207.17343	2.3
211.14828	2.1
213.16359	3.6
215.17943	13.1
217.16039	2.1
217.19531	25.2
219.01776	1.7
219.17467	2.5
219.20956	3.3
221.19061	1.8
227.18024	3.3
229.19539	2.7
231.17282	2.1
231.21091	3.9
233.19104	3.7
235.17039	1.5
235.20554	4.0
241.19557	2.1
243.21169	4.9
245.22678	2.8
247.20528	2.7
249.18361	2.2
255.21098	2.6
257.22672	3.8
259.16785	1.6
261.18573	5.5
269.22607	2.3
283.24078	2.7
289.21576	3.2
297.25873	2.2
299.27567	1.8
337.28970	1.5
344.12186	1.6
379.33554	5.6
383.32703	1.7
389.32065	1.9
407.32211	7.7
407.36801	8.2
408.37088	1.7
425.32965	24.7
425.37985	20.3
426.34363	1.6
442.96136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05509	10.7
57.03426	1.8
57.07059	6.3
65.03938	2.4
67.05514	25.0
69.07079	23.2
69.47815	1.5
70.43797	1.7
70.72787	5.1
79.05493	13.0
81.06579	3.0
81.07064	60.5
83.08605	10.8
89.06026	2.7
91.05489	11.3
93.07052	39.6
95.04963	2.2
95.08614	100.0
97.10171	6.8
105.07030	29.1
107.07866	2.8
107.08601	55.6
109.10166	58.2
111.08076	3.3
111.11717	4.4
119.08596	29.8
121.05083	1.9
121.09317	3.8
121.10152	53.0
123.11723	27.8
125.09654	1.9
128.38837	1.8
131.08557	8.0
133.10136	24.8
135.11710	34.0
137.13254	21.2
139.11212	3.4
143.08542	2.1
145.10167	12.9
147.11708	20.1
149.13264	39.8
151.11320	1.6
159.11720	13.7
161.13287	22.3
162.13884	2.2
163.14851	19.3
165.16435	2.2
173.13313	10.8
174.14050	1.7
175.14838	17.0
177.16379	17.2
179.14323	4.4
179.18025	3.1
180.22287	1.7
185.13272	3.2
187.14838	10.3
189.16350	17.5
191.17972	39.4
192.10004	1.8
193.15924	2.4
197.32158	1.6
199.14792	2.2
201.16333	6.2
203.17955	19.1
205.19513	19.3
207.17447	3.5
213.16261	2.5
215.17889	11.7
217.19513	27.9
221.19025	2.7
227.17740	2.5
229.19536	8.9
231.21059	6.5
233.18974	13.1
235.20583	6.5
241.19586	2.6
243.21007	3.4
245.18922	1.9
245.22690	7.0
247.20599	3.5
257.22583	4.0
269.22559	4.4
271.24274	3.5
297.25772	3.2
323.52533	2.2
329.28485	2.1
407.36877	20.4
425.32932	4.4
425.38269	45.4
444.79684	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05511	14.7
55.41881	1.6
57.07073	6.2
65.03934	1.7
67.05511	28.2
69.03413	3.4
69.07069	27.6
70.78529	1.4
70.83772	3.2
70.84147	3.2
79.05493	19.4
81.06586	3.2
81.07065	66.5
83.04948	1.7
83.08625	11.5
85.06555	1.9
91.05470	15.1
93.07047	44.6
95.04988	2.1
95.08613	100.0
97.10176	7.9
98.97567	3.4
103.05424	2.1
103.93805	1.6
105.07036	37.8
107.08605	70.3
109.06509	2.2
109.10162	67.9
109.10923	3.2
111.08109	3.1
111.11732	2.7
115.05411	2.0
117.07002	3.5
119.08585	38.8
121.06550	4.1
121.10148	58.3
123.08082	2.8
123.11722	30.5
125.09630	4.9
129.07024	2.9
130.38521	1.5
131.04955	2.4
131.08609	9.5
133.10135	34.6
135.07956	1.5
135.11702	42.2
137.13263	17.6
139.11160	2.9
143.08583	2.8
145.10127	16.7
147.11688	33.5
149.13269	37.3
151.11220	2.2
151.14827	2.4
157.10152	4.4
159.11702	16.5
161.13263	27.0
163.14847	16.4
165.09081	3.7
165.12872	2.1
171.11687	3.3
173.13297	12.2
175.14832	16.4
177.12798	2.3
177.16412	16.5
178.44910	1.6
179.14320	6.0
182.01840	1.8
183.11732	2.7
185.13283	3.0
186.14053	1.8
187.14815	8.9
189.16388	20.2
191.17960	59.3
192.18341	1.8
199.14784	3.9
201.16417	10.8
203.14418	4.0
203.17979	29.4
205.15907	3.3
205.19521	24.4
207.17441	6.3
213.16440	1.9
215.17950	9.5
217.19536	36.3
219.21046	2.2
221.18988	3.9
225.16417	1.8
227.18013	2.1
229.19565	4.9
231.21045	5.4
233.19041	6.8
235.20552	10.1
243.21223	1.7
245.22755	5.1
247.20723	4.4
255.21236	2.6
257.22504	2.1
259.24182	2.4
269.22739	1.9
271.24307	2.8
283.24112	3.2
301.25171	1.9
407.37082	17.4
425.19431	5.6
425.33276	8.3
425.38522	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	426.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.5
69.07034	0.9
69.35991	4.8
71.04971	0.7
79.05535	0.6
81.07069	1.0
85.02899	1.0
91.05495	3.7
93.07063	1.3
95.08600	1.8
98.97575	0.7
100.19911	0.7
101.00922	0.6
103.05473	0.9
105.07010	1.1
107.08617	1.0
109.10139	0.8
118.06548	0.8
119.04964	1.5
119.08574	0.9
121.06504	11.9
121.10141	0.9
126.48515	0.6
126.79174	0.7
130.06548	2.9
131.08540	0.8
137.05984	10.3
146.05991	1.5
148.03949	1.6
151.06293	0.9
152.07050	5.3
156.76631	0.7
158.05971	2.5
163.03902	1.1
164.07097	1.3
166.08661	2.0
177.00719	0.8
180.06586	6.0
188.06847	5.3
188.32068	0.6
189.07404	1.1
195.08881	1.1
196.09688	4.9
200.06844	0.8
201.16411	1.0
203.06805	1.4
206.08136	1.4
216.06335	49.1
218.07893	1.4
224.09184	38.0
231.06357	3.9
234.07372	5.7
246.07420	8.2
255.01782	0.7
275.19778	0.7
275.23203	0.7
352.13684	2.0
396.14252	2.3
426.15225	100.0
427.15466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94986	1.2
54.67638	1.4
55.01868	4.4
57.03453	2.3
67.05518	3.1
69.03418	1.6
69.67062	8.9
79.05502	7.5
81.03416	4.1
81.07063	23.1
85.02917	3.2
87.11663	1.3
91.05502	3.2
93.07025	6.0
95.04974	3.3
95.08620	15.3
98.21449	3.1
99.08078	2.3
103.05478	1.4
105.07028	13.0
107.04951	5.1
107.08543	1.7
109.06522	35.6
111.08054	3.1
121.06484	2.0
123.08076	16.8
125.05982	5.8
127.07576	1.2
133.06516	15.1
135.04413	3.1
135.08060	2.6
137.05986	41.7
139.07530	12.1
141.09160	1.5
143.93217	1.3
149.06001	4.3
151.07559	21.6
155.07042	85.3
161.06000	3.5
165.09105	1.6
169.08618	100.0
179.07048	11.9
181.08563	3.6
183.10162	11.0
187.76318	1.5
193.08589	4.3
197.08125	20.6
202.97603	1.4
211.09671	77.7
215.09123	5.9
229.10733	74.0
284.57504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05516	38.2
56.05862	0.4
62.54314	0.3
62.66157	0.3
67.05518	2.3
68.05858	0.5
69.03430	0.6
69.07082	1.6
71.56670	0.4
79.05488	2.1
81.07071	4.0
82.07387	1.1
83.04970	0.4
83.08627	16.3
91.05488	3.4
92.05772	0.6
93.07059	5.6
94.07369	1.0
95.04967	1.0
95.08613	4.9
96.08938	1.1
97.02884	0.4
97.06595	0.5
97.10136	0.5
99.08083	0.6
103.05473	2.2
104.05035	0.6
105.04613	0.3
105.07034	4.4
106.07372	1.5
107.08612	4.4
108.08940	1.5
109.10161	2.2
110.10501	0.6
119.08590	5.0
120.08102	2.5
120.08932	2.1
121.06518	16.6
121.10146	3.4
122.06050	1.0
122.10439	1.7
123.08069	0.5
123.11683	1.0
131.08583	3.4
132.04477	1.7
132.08905	0.9
133.10138	3.1
134.10510	1.6
135.08014	0.4
135.11734	1.7
136.12036	0.8
137.13219	0.4
143.08575	0.5
145.10164	2.7
146.10498	1.8
147.11707	4.4
148.12061	2.4
149.09665	0.5
149.13263	1.2
150.05533	5.0
150.09918	0.5
150.13602	0.7
157.10086	0.7
158.10588	0.5
159.11702	2.0
160.12016	1.4
161.13271	1.0
162.13565	1.1
163.11234	0.6
163.14798	1.6
164.07080	87.1
164.15141	0.5
165.07784	2.7
165.09036	0.6
166.08644	0.8
171.11652	0.7
172.12148	0.6
173.13365	1.6
173.95235	0.4
174.13666	1.0
175.11182	0.5
175.14818	1.5
176.15170	1.0
177.12698	0.5
177.16402	1.4
178.16693	0.8
184.07462	0.5
185.13274	0.8
186.13596	0.8
187.14868	3.0
188.15167	2.1
189.16418	1.5
190.16771	0.9
191.17946	0.4
192.18333	0.4
199.14771	0.6
200.15143	0.6
201.16383	4.2
202.16718	3.9
203.17880	0.8
204.14684	0.4
204.18408	0.7
205.15933	2.8
206.08144	0.4
206.16234	1.5
216.18275	0.4
219.17520	0.5
220.17755	0.8
224.09137	1.4
224.17209	0.5
232.13260	0.9
242.19794	0.4
244.21465	0.4
246.14915	100.0
247.15347	2.4
260.21124	0.3
270.11276	1.3
306.16895	1.0
344.14987	0.5
352.19104	12.2
364.10605	0.4
384.21768	1.1
408.28406	0.5
408.33423	2.9
426.22791	4.5
426.34543	8.5
432.29477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01861	0.6
55.05514	42.9
56.96549	0.8
57.50567	0.5
64.83704	0.5
66.59122	0.5
67.05503	1.5
67.97523	0.5
69.07065	0.7
71.56844	1.2
78.92075	0.5
79.05499	0.9
81.07063	1.5
82.16819	0.5
83.08145	0.9
83.08624	13.6
88.60911	0.5
91.05492	2.5
93.07053	3.6
95.04932	0.6
95.08609	1.7
103.05457	1.5
105.07021	1.0
105.50304	0.5
107.08585	1.0
109.10159	1.0
111.52812	0.6
114.09161	0.6
119.08593	1.3
120.08101	1.0
121.06511	13.2
121.10103	0.6
122.10494	0.5
123.09640	0.5
129.62090	0.5
131.08540	0.7
132.04446	0.9
134.06053	0.6
150.05513	4.4
150.28207	0.7
164.07083	32.9
171.91132	0.5
179.09399	2.4
181.04852	0.6
188.06842	0.6
211.08337	0.6
232.13303	3.2
246.14915	100.0
247.15378	1.6
264.12433	2.5
274.14505	0.5
308.50067	0.6
330.93274	0.7
352.19083	11.6
384.17984	3.9
384.22247	0.7
408.33453	0.8
426.22659	5.1
426.34387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01861	0.6
55.05514	42.9
56.96549	0.8
57.50567	0.5
64.83704	0.5
66.59122	0.5
67.05503	1.5
67.97523	0.5
69.07065	0.7
71.56844	1.2
78.92075	0.5
79.05499	0.9
81.07063	1.5
82.16819	0.5
83.08145	0.9
83.08624	13.6
88.60911	0.5
91.05492	2.5
93.07053	3.6
95.04932	0.6
95.08609	1.7
103.05457	1.5
105.07021	1.0
105.50304	0.5
107.08585	1.0
109.10159	1.0
111.52812	0.6
114.09161	0.6
119.08593	1.3
120.08101	1.0
121.06511	13.2
121.10103	0.6
122.10494	0.5
123.09640	0.5
129.62090	0.5
131.08540	0.7
132.04446	0.9
134.06053	0.6
150.05513	4.4
150.28207	0.7
164.07083	32.9
171.91132	0.5
179.09399	2.4
181.04852	0.6
188.06842	0.6
211.08337	0.6
232.13303	3.2
246.14915	100.0
247.15378	1.6
264.12433	2.5
274.14505	0.5
308.50067	0.6
330.93274	0.7
352.19083	11.6
384.17984	3.9
384.22247	0.7
408.33453	0.8
426.22659	5.1
426.34387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.9
56.05812	2.6
57.07073	4.9
65.03942	3.5
67.05174	4.9
67.05508	49.5
68.05833	11.5
69.07074	17.8
70.07412	6.0
70.74628	2.9
70.74970	6.8
79.05497	16.1
80.05822	5.8
81.07059	42.9
82.07375	12.5
83.08616	6.9
83.93257	2.7
88.82153	2.4
91.05478	10.8
92.05810	3.6
92.61185	2.5
93.07045	31.9
94.07373	13.3
95.04980	7.4
95.08607	64.0
96.08951	16.9
97.06541	2.6
97.10169	6.8
105.07037	35.5
106.07379	11.7
107.08607	45.8
108.08923	18.5
109.06552	3.1
109.10161	100.0
110.10492	40.7
111.08025	3.5
117.07017	3.9
119.08599	40.8
120.08912	16.1
121.10143	36.9
122.10518	11.8
123.08069	6.0
123.11707	21.3
124.12071	6.2
131.08585	9.3
132.08949	4.4
133.10149	26.3
134.10432	13.3
135.11710	28.6
136.12038	9.8
137.13222	5.9
143.08551	5.8
145.10144	11.7
146.10515	3.9
147.11720	21.3
148.12010	10.1
149.13274	15.3
150.04231	2.8
150.13629	11.8
157.10149	8.9
158.10483	7.7
159.11714	14.2
160.12085	9.7
161.13271	23.1
162.13634	9.7
163.14854	18.4
164.15190	8.3
165.12703	3.1
169.10098	4.7
170.66292	2.7
171.11729	7.2
172.12077	7.8
173.13252	8.4
174.13626	5.1
175.11305	2.8
175.14774	14.0
176.15176	10.1
177.16443	7.5
178.16740	4.7
179.14326	5.5
183.11649	4.6
184.12009	5.0
185.13219	4.0
186.13594	2.7
187.14830	6.2
188.15135	6.9
189.16399	12.2
190.16788	12.0
191.18011	11.8
192.18324	5.7
199.14772	2.5
201.16389	5.0
202.16701	6.1
203.14333	4.1
203.17990	16.4
204.18300	15.4
205.19588	3.6
206.19870	4.8
207.17482	5.0
208.17818	4.5
211.14670	3.3
212.15221	4.8
213.16385	5.5
214.16748	3.9
215.17938	9.4
216.18272	6.6
217.19514	7.7
218.19862	13.4
218.77284	2.6
219.17531	2.7
224.15181	3.3
227.17992	2.8
228.18289	3.5
230.19971	4.1
240.18358	2.6
245.19025	3.5
246.19298	5.7
253.19449	4.5
254.19855	7.0
256.21231	3.2
260.20773	2.6
268.21930	3.3
271.20572	3.9
271.24188	2.4
272.20929	2.9
272.24493	2.6
274.22559	3.1
282.23138	3.9
284.24719	3.1
286.22623	3.0
298.22708	4.8
310.69064	2.6
322.26080	3.1
340.27286	7.2
396.33475	4.7
408.32654	17.9
408.37299	10.9
426.33655	53.5
426.38690	21.7
427.35657	5.9
446.21722	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	426.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69559	4.9
53.23008	4.2
55.05522	22.1
57.07084	9.2
67.05514	44.3
68.05837	6.0
69.03426	7.3
69.07072	28.9
70.07418	5.4
74.60681	4.3
79.05500	15.0
81.07066	74.8
82.07392	13.0
83.08631	16.0
84.08956	6.6
85.02921	17.1
91.05485	21.4
92.05798	5.8
93.07060	48.5
94.07396	12.9
95.04937	7.2
95.08620	100.0
96.08946	31.1
97.06509	5.7
97.10161	5.6
99.08110	4.2
105.07062	37.0
106.07358	12.5
107.08596	77.5
108.08947	17.6
109.10166	93.4
110.10504	30.0
111.08089	5.2
111.11722	5.7
117.45525	4.6
119.08585	36.0
120.08911	16.9
121.10161	42.1
122.10506	22.9
123.08176	4.3
123.11725	33.3
124.12048	9.1
131.08580	6.9
133.10146	31.5
134.10486	14.8
135.11720	40.7
136.12022	21.3
137.13251	9.2
138.13580	7.0
145.10127	7.6
146.10515	5.2
147.11734	25.0
148.12056	14.4
149.13255	26.2
150.13589	15.3
159.11708	14.5
160.12091	4.6
161.13301	23.2
161.76706	4.4
162.13638	13.8
163.14851	18.0
164.15193	12.9
173.13260	4.7
174.13594	5.5
175.14867	10.6
177.16411	12.4
178.16608	5.4
181.35962	4.0
186.13695	5.0
187.14812	8.2
189.16446	16.9
190.16756	16.9
191.18019	28.2
192.18318	18.1
201.16377	9.6
202.16733	10.2
203.17999	19.1
204.18323	16.9
205.19540	4.4
206.19896	8.6
207.17439	9.7
216.18301	6.4
217.19499	23.4
218.19878	21.9
235.20569	5.6
235.47195	4.2
246.15068	4.7
255.29712	5.7
359.37592	4.3
408.37115	17.9
426.38531	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	427.1216
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
51.66245	0.3
59.37181	0.3
69.03429	0.5
71.08159	0.8
71.15844	0.4
79.40873	0.4
84.08128	0.4
85.02906	0.9
97.02898	0.4
105.65042	0.4
114.10243	0.4
121.30897	0.3
130.82094	0.4
148.30705	0.4
149.25310	0.3
154.85864	0.4
173.02177	0.7
185.04199	1.8
190.83839	0.3
195.02678	5.6
203.05200	0.4
233.04248	4.3
255.08414	5.9
265.06845	27.3
268.85944	0.4
368.34619	0.4
395.09753	0.9
427.12149	100.0
428.12650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28389	0.3
67.05518	0.4
69.03419	0.9
70.06583	0.7
71.57198	0.4
72.08162	0.3
72.79515	0.2
79.05443	0.3
81.03429	0.4
84.08162	1.2
85.02921	1.3
88.72153	0.2
90.61123	0.3
91.05473	0.4
93.41814	0.3
95.08623	0.2
97.02903	0.5
99.04399	0.3
100.87468	0.3
109.10194	0.2
114.10326	0.4
121.06508	0.3
127.03908	0.3
130.08684	0.3
137.02103	0.6
155.10625	0.3
162.99968	0.3
172.13330	0.5
173.02115	0.8
185.04181	1.7
186.70407	0.2
195.02646	5.6
203.05309	0.6
233.04230	5.1
233.06371	0.4
254.10199	0.4
255.08409	5.9
265.06851	30.2
266.07159	0.3
383.18057	0.6
395.09366	0.4
409.18564	0.4
425.33655	0.2
427.12137	100.0
428.12537	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1579
Annotation	Bruceine H
Peak:m/z	Relative Intensity
55.05520	0.4
57.00206	0.3
59.74894	0.3
67.05890	0.4
67.78689	0.4
69.03426	0.4
70.06593	2.7
70.38118	1.3
72.08166	3.1
79.53108	0.4
85.02924	0.7
85.50250	0.3
93.07049	0.4
97.02876	0.5
98.97598	0.9
100.30086	0.4
116.07111	0.4
119.19717	0.4
121.06516	1.0
150.07744	2.1
163.03896	1.5
171.07677	0.4
181.04912	0.8
183.08086	0.5
185.09238	0.9
186.29630	0.3
203.05342	0.5
213.08702	0.6
229.08615	0.8
241.08127	0.4
247.09247	0.4
265.10507	2.7
281.08163	0.6
295.11450	0.8
312.15564	1.5
330.75018	0.5
364.33621	0.4
427.15799	100.0
428.16141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01875	8.5
55.05518	53.1
56.05843	5.5
56.56217	4.6
67.05173	5.9
67.05508	75.8
69.07066	34.5
69.78638	24.5
71.04979	7.0
71.91058	4.8
74.44667	4.5
74.93137	5.1
77.29948	5.4
79.05496	61.9
81.03414	5.6
81.07058	100.0
83.04962	11.1
83.08615	19.4
85.06532	9.3
91.05485	57.1
93.07050	83.8
95.04964	12.6
95.08610	86.7
97.06551	11.4
97.10136	6.0
105.06377	6.6
105.07035	63.8
107.04963	5.9
107.08602	57.1
109.06513	8.9
109.10168	32.8
111.08094	7.5
115.94298	4.7
117.07027	21.5
119.08591	51.3
121.06517	21.0
121.10149	61.2
123.08085	7.8
123.11723	10.0
125.09638	5.6
129.07019	14.1
131.08563	46.3
133.10149	31.2
135.08054	8.6
135.11699	21.8
137.09596	5.6
143.08560	14.7
143.87831	4.8
145.10121	37.5
147.07970	5.7
147.11681	22.5
149.09668	11.6
149.13269	14.6
155.08577	8.0
157.10127	15.4
159.11717	19.5
161.13263	15.6
163.11221	5.4
163.14871	5.4
164.07072	13.2
165.07355	6.5
169.10190	9.5
171.11652	14.5
173.11856	5.3
173.13303	12.2
174.86038	4.5
175.14876	6.5
183.11658	6.1
185.13272	10.6
187.14865	7.9
189.12657	5.8
189.16365	7.2
193.12164	4.8
195.13814	7.4
197.13306	7.8
199.14790	6.1
203.17938	7.7
207.13748	8.7
217.15892	7.6
221.15312	10.4
235.16946	8.3
246.14893	27.0
247.15105	35.0
249.18515	13.1
263.20230	5.2
325.25168	5.3
337.25281	19.5
343.26300	20.6
353.19705	7.0
355.26425	53.6
361.27405	11.4
373.23447	33.8
373.27701	38.4
391.28513	83.9
427.23703	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
55.01869	5.7
55.05516	39.3
57.07077	5.2
60.24387	4.8
63.86054	4.2
65.03934	4.4
67.05506	86.9
69.07079	35.5
71.04983	10.8
71.15611	5.0
71.15919	7.0
79.05495	67.7
81.06667	3.9
81.07065	100.0
83.05003	10.1
83.08639	23.5
85.06523	6.8
91.05485	69.8
93.07053	94.8
95.04965	12.3
95.08616	78.9
97.06532	12.8
97.10180	9.1
98.21098	6.4
98.97582	9.0
105.07037	60.1
107.04984	5.8
107.08596	71.9
109.06563	10.3
109.10155	42.8
117.07029	21.2
119.08592	53.3
121.06517	17.7
121.10152	53.1
123.08060	6.6
123.11691	8.8
129.07004	21.3
129.24095	4.7
131.08600	47.9
133.10138	40.1
135.08078	8.6
135.11719	27.8
143.08560	23.4
145.10130	34.9
147.08029	7.1
147.11693	22.2
149.09616	8.3
149.13345	9.8
155.08594	11.1
155.43031	5.6
157.10172	14.6
159.11688	23.4
161.13318	11.7
163.11169	7.7
164.07179	5.2
165.12843	6.4
169.10132	10.9
171.11731	22.8
171.97752	5.2
173.13339	10.3
177.12881	5.0
177.16301	4.4
181.12358	5.1
183.11754	5.3
185.13297	13.6
187.14857	7.8
191.14284	7.5
195.11813	5.2
195.13824	9.0
197.13216	8.2
199.14879	12.9
201.16420	4.7
207.13809	10.7
211.14859	7.4
225.16711	6.0
235.17026	6.5
247.17101	7.4
249.18517	9.9
261.18604	10.2
263.20065	9.1
275.20288	5.1
306.70764	5.9
307.59790	5.6
337.25223	27.7
343.26331	15.9
355.26352	49.5
373.27426	43.0
381.56766	5.5
391.28500	89.3
427.24194	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03946	2.7
55.05522	14.6
55.41785	2.3
57.07074	4.4
57.31072	2.5
67.05514	23.6
69.03432	2.6
69.07074	23.0
71.28533	2.5
71.28909	5.2
75.39913	2.7
79.05505	20.4
81.07058	52.6
83.04985	2.7
83.08604	13.1
85.06565	3.1
91.05480	20.4
93.07046	48.6
93.58955	2.4
95.08611	100.0
97.06540	5.0
97.10153	4.2
99.08126	2.7
105.07031	49.3
107.08602	79.6
109.06497	4.7
109.10161	53.3
111.08096	7.7
111.11715	4.4
117.06992	5.7
119.08585	64.6
121.06571	2.8
121.10146	53.4
123.08080	7.5
123.11710	24.3
129.07016	4.2
131.08586	20.5
133.10143	55.0
135.11719	38.0
137.09662	2.9
137.13289	12.3
139.11122	3.2
143.08560	5.5
145.10120	33.0
147.11691	44.0
149.13272	26.1
151.11166	2.6
151.14856	4.5
157.10097	10.2
158.11008	3.0
159.11699	26.3
161.13275	32.1
163.11154	3.2
163.14828	35.7
165.12758	3.4
165.16412	3.2
171.11661	5.7
173.13280	20.3
175.11238	3.3
175.14857	30.9
177.12709	5.4
177.16376	23.5
179.14301	8.0
179.17815	2.9
183.11835	2.5
185.13283	8.8
187.14825	44.3
189.12741	2.4
189.16391	48.2
191.14310	4.6
191.17984	24.9
193.15886	4.0
193.19513	2.5
197.13199	2.5
199.14816	7.0
201.16396	21.8
203.14331	2.5
203.17996	25.3
205.15915	29.3
205.19525	3.9
207.17459	28.3
211.14777	3.8
213.16464	7.3
215.17999	15.1
217.19566	8.7
219.17540	13.4
221.19005	3.4
227.17952	4.5
229.19543	12.7
231.21100	5.0
233.18996	10.6
235.20633	3.4
239.17964	3.4
241.19545	7.9
243.21126	6.0
247.20583	7.4
255.21078	6.1
257.22443	2.9
261.22287	2.6
269.22562	6.5
281.22507	2.6
359.17117	2.9
381.35196	3.1
391.33716	17.0
409.29742	4.0
409.34711	69.1
427.36026	76.9
428.36273	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3576
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05497	8.1
57.07079	3.7
57.32493	2.6
65.94603	2.5
67.05508	14.9
69.07067	22.2
69.70910	8.3
69.71321	7.0
71.08624	2.8
79.05479	8.9
81.07063	27.4
81.52673	3.1
83.04964	2.6
83.08597	8.7
85.06505	3.6
91.05493	14.5
93.07048	20.9
95.08609	47.7
97.10184	4.5
98.21058	8.1
103.32973	3.5
105.07022	20.3
106.98006	2.9
107.08601	51.0
109.10167	32.3
111.08112	3.0
113.31394	2.9
117.06961	3.7
119.08575	30.3
121.06493	3.1
121.10159	36.7
123.08054	4.1
123.11681	15.2
123.82996	2.7
130.09619	3.1
131.08549	8.5
133.10135	16.8
135.11702	29.4
137.13191	4.7
142.61346	3.2
145.10153	16.2
147.11700	20.9
149.09621	5.1
149.13258	25.5
153.12825	3.9
154.06776	3.1
154.95323	2.8
155.28664	2.7
157.10097	4.6
159.11703	10.6
161.13254	15.3
163.14833	26.0
165.09163	9.4
171.11713	4.0
173.13289	8.4
175.14827	12.4
177.12747	3.4
177.16399	24.1
185.13187	3.0
187.14844	14.8
189.16411	26.8
191.17950	9.9
199.14870	4.7
199.72771	3.2
201.16418	10.4
203.17903	9.3
205.15901	75.1
207.17439	39.0
213.16455	3.9
215.17923	8.8
217.19571	8.8
219.17384	6.0
229.19554	5.3
231.17375	3.9
231.21147	5.3
233.18980	3.9
241.19551	3.4
245.22495	3.3
248.39432	2.9
255.21082	8.4
257.22882	3.4
269.22708	4.1
359.70099	3.2
391.33505	10.8
409.34677	31.9
426.31967	3.0
427.35693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3576
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03930	5.7
55.05506	18.0
56.70318	3.8
57.07063	5.7
60.38985	3.7
60.61846	3.5
65.03937	5.0
67.05511	33.9
69.03403	4.4
69.07072	33.4
71.09030	3.4
79.05500	27.6
81.07066	60.6
83.08615	15.4
85.02905	4.1
85.06535	8.3
90.41882	4.0
91.05484	39.7
93.07044	75.1
94.07417	4.0
95.04961	7.3
95.08613	100.0
97.02887	4.4
97.10179	7.2
99.04434	6.2
99.08090	7.0
103.05418	5.1
105.06384	5.5
105.07041	69.9
107.08595	89.3
109.06544	4.3
109.10173	58.0
111.08115	17.2
114.82475	4.2
117.07018	10.7
119.07799	6.1
119.08594	91.8
120.08857	3.7
121.06508	5.7
121.10152	58.2
123.08030	5.8
123.11703	19.4
130.07768	4.1
130.22845	4.9
131.08586	28.7
133.10141	55.8
135.08109	8.8
135.11697	49.6
136.12080	3.8
137.09624	7.5
137.13210	8.0
139.11122	4.5
143.08571	9.9
145.10139	43.6
147.11699	49.3
149.13255	49.1
157.10114	14.9
159.11691	39.8
161.09625	3.8
161.13292	36.5
161.96065	3.5
163.03918	4.4
163.11148	6.2
163.14832	39.1
165.09125	23.2
171.11728	10.5
173.13297	24.7
175.14822	25.1
177.12807	4.2
177.16467	24.8
183.11748	5.9
185.13261	14.7
187.14824	29.9
189.16373	34.7
191.17900	14.9
199.14812	9.9
201.16423	24.3
203.18008	44.9
205.12248	6.6
205.15987	16.8
207.17404	12.5
213.16321	10.0
215.18005	16.8
219.17432	11.1
225.16574	4.0
227.17952	5.8
229.19501	7.2
233.19005	8.3
241.19344	5.3
253.19682	4.4
255.21100	5.0
285.22052	6.5
369.31427	18.5
380.87683	3.6
391.33774	4.6
397.34604	7.4
401.46072	3.8
409.34860	64.7
427.36240	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3577
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05507	7.5
56.96570	3.5
57.07064	1.8
67.05508	13.3
69.07076	12.7
69.83923	5.4
71.04991	2.2
77.25703	1.3
79.05502	8.2
80.05759	1.1
81.07059	29.9
83.04988	3.1
83.08633	5.3
85.06543	2.6
91.05476	9.7
93.07055	26.3
94.07391	1.3
95.04980	3.5
95.08615	49.4
96.08939	2.5
97.06542	3.3
97.10177	3.4
98.21413	1.2
99.08113	1.3
105.07043	20.2
107.08601	38.3
109.06536	3.0
109.10170	26.6
111.08094	3.7
111.11694	1.7
117.03384	1.8
117.07034	2.0
119.08588	41.4
120.08913	1.5
121.06519	1.6
121.10144	31.0
122.10462	1.6
123.08089	4.0
123.11716	10.7
125.09624	1.4
129.07002	1.2
131.08578	8.6
133.10136	24.4
135.04443	2.2
135.08063	7.2
135.11702	28.7
137.09648	3.6
137.13269	5.9
143.08583	4.0
144.09410	1.3
145.02916	1.8
145.10132	17.3
147.11700	16.7
149.09683	2.1
149.13266	16.9
149.14384	1.6
151.11214	1.7
153.12811	1.2
157.10165	4.9
158.10982	1.6
159.11676	12.9
161.09668	1.4
161.13277	14.4
163.03929	13.1
163.11250	1.6
163.14839	14.7
165.12811	5.5
169.10194	1.9
171.11705	3.2
173.13268	12.1
175.14815	9.6
177.12788	4.0
177.16397	11.7
179.14349	2.3
185.13281	3.7
187.14841	15.2
189.12694	1.6
189.16418	15.9
191.14339	3.3
191.17961	15.6
197.13455	1.7
199.14868	3.1
201.16405	11.8
203.17931	8.4
204.37665	1.3
205.15886	17.5
205.19495	2.4
207.17473	9.9
211.14838	1.7
213.16414	4.5
215.17961	5.5
217.15988	3.0
217.19574	3.7
219.17439	7.7
221.18916	1.3
224.14980	2.6
225.16377	1.6
227.18091	1.5
229.19601	4.0
231.17522	1.9
231.21048	1.7
233.15556	1.9
237.00708	2.3
241.19604	2.6
243.21085	3.3
253.19502	1.6
255.01711	6.2
255.21199	3.0
257.22778	1.4
269.22739	3.8
273.02838	5.2
273.22305	2.1
278.03485	2.0
286.96710	1.3
305.24265	1.1
313.25604	1.4
323.17474	2.7
332.18274	4.2
343.69269	2.3
345.17184	2.1
354.17856	3.1
365.68362	2.3
386.19989	1.4
391.33551	4.6
397.30994	2.0
409.34875	23.6
427.35849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	HMDB12167
Peak:m/z	Relative Intensity
53.03936	0.7
55.05516	2.9
56.96569	0.5
57.07072	1.4
65.03932	0.5
67.05499	6.1
69.03433	0.6
69.07060	5.6
69.61032	2.9
79.05492	4.8
81.07058	13.6
83.04964	0.5
83.08618	3.3
85.02924	0.7
85.06537	1.0
91.05476	4.3
93.07047	13.5
94.07378	0.8
95.04976	1.5
95.08609	21.0
96.08915	0.7
97.06558	1.0
97.10168	1.6
98.20742	0.7
98.97585	0.6
99.08102	0.8
105.07037	11.6
107.08602	21.1
108.08923	0.6
109.06519	1.9
109.10160	12.0
110.10477	0.7
111.08092	1.4
117.07041	1.2
119.08587	15.0
120.08896	0.7
121.06508	1.5
121.10149	16.1
123.08077	4.8
123.11675	4.5
125.09641	0.7
129.07019	0.6
131.08565	5.4
133.10138	11.9
135.08063	2.4
135.11699	13.7
137.05884	0.5
137.09644	1.9
137.13287	1.2
143.08594	1.7
145.10132	7.5
147.11693	13.3
149.09584	1.2
149.13254	9.8
151.07553	0.8
151.11185	1.6
151.14885	0.6
157.10143	2.4
158.10829	0.6
159.11699	5.6
161.13271	7.4
163.03920	2.3
163.11235	0.6
163.14839	8.4
165.09103	5.9
165.12782	1.0
169.10051	0.7
171.11702	1.2
173.13252	3.2
175.11130	0.7
175.14842	4.7
177.12788	1.4
177.16406	6.5
179.14325	1.2
185.13297	1.9
187.14825	10.1
189.16393	17.7
191.14301	1.0
191.17995	2.2
199.14885	1.8
201.16394	6.9
203.14363	0.8
203.17932	2.8
205.12430	1.1
205.15884	32.4
207.17451	17.6
208.17891	0.6
213.16469	1.5
215.17946	4.5
217.19545	1.2
219.17464	3.3
225.16290	0.6
227.18060	1.0
229.19603	2.4
231.20976	0.6
241.19601	1.3
243.21118	0.9
255.21045	2.9
257.04984	0.7
259.20453	0.6
269.22620	1.8
287.11600	0.9
287.23721	1.3
299.52411	0.5
331.26288	5.4
357.27893	2.6
391.33627	1.6
409.34686	8.7
417.57480	0.5
427.35757	100.0
428.36569	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	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05446	4.1
53.03944	4.2
55.05511	16.0
57.07082	6.3
67.05494	30.7
69.07071	25.7
71.56935	4.0
79.05505	26.6
81.07068	44.5
83.08616	9.1
85.06543	5.9
86.24376	4.1
91.05494	16.8
93.07048	36.4
95.04957	4.4
95.08614	96.4
97.10163	5.7
97.35179	4.6
99.08089	4.9
105.03351	5.3
105.07037	36.8
107.08602	68.0
109.06493	5.0
109.10170	49.7
111.08105	5.0
111.11652	3.9
117.07076	7.1
119.08586	46.3
121.10182	48.7
123.08065	7.9
123.11725	22.5
131.08546	11.6
133.10152	37.7
135.11736	29.9
143.08563	7.5
145.10106	26.1
147.11670	24.6
149.13264	23.1
151.11211	5.5
153.88486	4.7
157.10101	6.7
159.11716	19.0
161.13303	22.3
163.14827	22.3
171.11595	7.0
173.13269	8.5
175.11253	6.6
175.14871	26.8
177.16415	20.0
185.13342	6.8
187.14838	16.9
189.16331	25.3
191.17915	20.2
201.16429	8.5
203.17998	33.7
205.15976	32.8
207.17485	18.3
215.17998	7.6
217.19595	6.0
219.17429	7.8
221.15421	6.6
223.16977	8.9
313.25327	5.9
331.26321	8.3
409.34677	18.6
427.28360	24.8
427.35672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3578
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.85467	2.0
55.05513	11.2
57.07074	4.3
63.23315	1.9
66.67214	1.9
67.05514	19.4
69.06773	2.3
69.07074	26.1
71.04977	2.2
71.10058	4.3
79.05495	11.2
81.07058	46.5
83.04961	2.8
83.08629	10.3
85.06548	5.2
89.57723	1.9
91.05474	14.1
93.07056	33.0
95.08612	86.5
97.06564	4.3
97.10165	8.2
105.07044	28.1
107.08600	56.4
109.06547	2.7
109.10158	40.6
110.10487	3.1
111.08112	5.5
111.11720	2.2
113.09624	2.8
117.06998	3.0
119.08590	41.8
119.09352	1.8
121.10153	49.4
122.10499	2.8
123.08070	6.7
123.11712	17.8
131.08548	11.6
133.10135	29.1
135.08070	7.3
135.11700	36.9
137.13249	10.8
138.00226	2.1
139.11174	15.0
143.08617	4.5
145.10110	15.9
145.28279	2.0
147.11702	25.0
149.09616	3.6
149.13251	24.2
151.11169	4.4
151.14900	3.6
153.12749	8.6
157.10152	4.7
159.11690	15.2
161.13268	24.1
163.11180	2.9
163.14830	29.8
171.11679	4.8
173.13210	12.5
175.14838	16.2
177.12862	2.7
177.16403	18.1
179.14374	10.1
181.12161	4.4
181.15836	2.4
185.13309	4.2
187.14793	21.0
189.16351	21.1
191.14337	6.6
191.17972	34.9
199.14828	4.6
201.16429	15.7
203.14403	4.0
203.17947	21.1
205.15915	34.6
205.19554	4.9
207.17461	18.3
213.16438	5.6
215.18010	8.9
217.19522	11.5
219.17438	20.8
227.18036	7.8
229.19568	9.5
231.21019	2.8
235.16954	3.9
241.19531	2.8
243.21086	2.5
245.19182	2.9
247.20607	6.3
255.21024	5.9
271.24051	2.0
281.22757	2.5
289.25259	2.4
331.26291	3.3
363.05792	2.4
391.33609	15.9
409.34686	53.8
410.35361	2.5
411.01913	2.1
427.35706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05512	2.7
57.07077	2.0
58.06588	0.6
67.05510	4.3
69.07073	3.8
70.83042	0.6
70.83361	0.8
71.08633	1.0
79.05503	2.7
81.07061	9.0
83.04969	0.6
83.08635	3.0
91.05510	4.1
93.07050	10.9
95.04970	0.8
95.08613	18.1
97.10177	1.7
98.21479	0.7
105.07039	7.1
107.08598	16.8
107.09296	1.1
109.06539	2.4
109.10168	10.1
111.08122	0.7
117.07019	0.8
119.08593	12.3
121.10151	13.1
123.08080	3.3
123.11700	3.4
126.91245	0.5
131.08600	4.6
133.10143	9.7
135.08095	1.2
135.11710	13.4
137.09651	0.8
138.96069	0.5
143.08574	0.9
145.10144	5.4
147.11697	10.0
149.13251	8.7
151.11253	0.8
157.10202	2.3
159.11711	5.0
161.13292	5.3
163.14832	7.3
165.12839	0.7
171.11688	1.7
172.90105	0.6
173.13327	2.4
175.14844	3.8
177.12769	0.8
177.16382	6.8
185.13292	1.6
187.14833	10.2
189.16408	16.1
191.17996	3.1
199.14879	1.2
199.60596	0.6
201.16386	5.0
203.17946	2.3
205.15897	30.5
207.17461	18.7
213.16357	1.0
215.17978	2.9
217.19585	1.7
219.17494	2.9
227.18013	0.8
229.19629	2.2
241.19502	1.6
243.21042	0.7
255.21130	3.0
267.21231	0.8
269.22693	2.3
287.23972	0.7
295.24026	0.7
303.66599	0.6
324.32635	8.0
331.26373	4.9
357.27942	1.9
391.33633	1.8
409.34616	8.2
427.35770	100.0
428.36124	2.1
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	Oxidosenexone
Peak:m/z	Relative Intensity
50.18311	0.5
53.03948	0.8
53.38369	0.4
55.01881	0.8
55.05529	4.3
56.55529	0.5
57.07075	1.7
59.26918	0.5
65.03935	0.5
67.05509	7.1
69.03426	1.7
69.07078	7.5
69.48769	3.8
71.05007	1.0
72.07792	0.5
74.87234	0.5
79.05495	4.5
81.03417	0.9
81.07064	12.0
83.08630	4.1
85.06551	0.9
91.05468	3.7
93.07053	9.5
95.04975	0.5
95.08620	19.6
97.02905	6.1
97.06548	1.9
97.10190	2.7
98.21517	0.5
99.04465	3.2
105.07047	6.4
107.08602	16.7
109.02924	1.1
109.06538	1.1
109.10166	9.9
111.08095	1.6
111.11726	1.0
117.07014	0.8
119.08594	35.6
121.06521	1.9
121.10157	12.9
123.08086	3.0
123.11722	4.4
127.03938	2.0
131.08540	2.7
133.10135	6.7
135.08061	8.3
135.11708	13.1
136.11980	0.5
136.13240	0.5
137.09659	0.9
137.13260	1.9
143.08611	0.9
145.04970	1.3
145.10136	8.3
146.64526	0.6
147.11696	5.6
149.09552	0.7
149.13280	4.4
151.14859	0.5
157.10184	1.6
159.11697	8.0
161.13264	5.2
163.11220	2.1
163.14848	4.6
166.28703	0.5
171.11771	1.1
173.13261	4.4
175.14812	2.9
177.12753	0.7
177.16403	3.0
179.14325	2.3
185.13263	1.4
187.14859	5.1
189.12807	0.8
189.16344	3.9
191.17969	5.9
199.14868	1.1
201.16434	5.0
203.17995	2.0
205.15953	2.3
207.17407	0.9
211.14687	0.6
213.16386	1.2
215.18025	0.9
217.19524	0.7
219.17531	1.2
227.18034	0.7
228.82718	0.5
229.19534	1.0
231.21106	1.0
257.22595	0.6
265.25259	3.3
391.33588	1.9
409.34604	3.1
427.35776	100.0
428.36038	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	427.3576
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05515	6.1
57.07073	3.1
67.05511	8.5
69.03426	1.5
69.07073	9.5
70.86642	3.4
71.08627	1.4
72.37181	1.2
76.87202	1.2
79.05520	7.6
81.07064	17.5
83.04986	1.8
83.08633	6.2
85.06559	1.8
91.05470	6.0
93.07059	17.4
95.08618	30.4
95.09150	1.2
97.02897	7.3
97.06531	2.1
97.10152	4.4
99.04464	4.2
105.07050	9.0
107.08607	20.8
109.02886	1.8
109.10159	16.9
111.08092	2.9
111.11777	2.1
119.08596	25.5
121.06508	2.7
121.10155	15.7
123.11721	8.6
127.03931	4.9
131.08574	1.8
131.39874	1.2
133.10138	10.0
135.08075	7.8
135.11690	18.3
136.12054	1.5
137.09618	2.4
137.13310	2.8
139.11194	2.0
143.08592	1.7
145.10144	8.4
147.11690	8.1
149.09639	1.7
149.13242	8.7
151.11240	1.9
151.14815	1.3
159.11693	8.2
161.13330	7.2
163.11183	2.2
163.14845	9.0
171.11649	1.8
173.13289	4.0
175.14862	4.3
177.16454	4.5
179.14362	2.3
185.13344	2.1
187.14812	6.3
189.16409	6.2
191.17943	9.8
198.45892	1.6
201.16388	5.3
203.18022	5.2
205.15927	9.6
206.16273	1.6
207.17522	2.7
213.16447	2.4
215.18039	1.5
219.17473	6.7
229.19632	1.9
265.25345	4.0
279.23273	1.5
296.99286	1.3
391.33591	3.8
409.34659	12.8
427.35718	100.0
428.35870	1.7
447.21896	1.5
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	Koelpinin A
Peak:m/z	Relative Intensity
50.02001	1.1
55.05507	5.9
57.07083	1.7
67.05505	10.1
69.07066	12.2
69.44131	10.1
71.08677	1.4
79.05500	7.0
81.07062	27.3
83.08622	4.6
91.05473	10.5
91.75285	1.2
93.07049	21.7
95.08605	33.2
97.02907	1.9
97.06541	1.6
97.10177	4.1
98.21496	1.5
99.04455	1.5
105.07034	15.8
107.08598	39.7
107.09289	2.5
109.06541	1.5
109.10162	17.3
111.08090	2.1
111.11749	1.6
117.07030	2.4
119.08589	23.0
121.10140	23.9
123.08060	1.8
123.11723	8.3
127.03945	1.9
131.08580	5.1
133.10146	13.0
135.08066	1.4
135.11700	18.6
137.09674	1.5
137.13298	2.3
143.08583	2.7
145.10184	7.5
147.11694	11.1
149.13274	27.3
149.14485	1.4
157.10173	4.3
159.11700	9.7
161.13278	11.8
163.14830	100.0
171.11768	3.0
173.13287	7.4
175.14836	29.4
177.12816	1.9
177.16380	16.9
179.14316	2.2
183.11688	1.9
185.13287	2.5
187.14888	5.5
189.16403	8.2
190.16765	1.2
191.17996	3.1
193.15950	4.0
199.14934	3.5
201.16399	4.4
203.17975	6.9
205.15961	3.3
207.17503	3.5
213.16466	2.9
215.17931	11.4
217.19472	3.3
219.17441	1.8
227.17918	2.9
229.19556	7.4
231.21152	2.7
233.19049	3.3
241.19569	3.7
243.21150	2.6
247.20586	1.5
255.21109	4.6
269.22766	3.9
291.23218	2.8
301.98187	1.3
381.35587	1.8
391.33536	9.5
409.29651	1.6
409.34726	22.1
427.30081	2.9
427.35782	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03947	1.2
55.05505	5.2
57.07073	2.2
67.05505	9.0
69.07075	9.3
71.09364	1.9
72.43300	0.8
78.94004	0.9
79.05480	6.5
81.07059	23.7
83.04947	1.0
83.08618	5.8
85.06544	1.6
91.05482	6.3
93.07047	18.2
95.04953	1.0
95.08613	38.8
96.08963	1.0
97.06498	1.8
97.10149	3.0
105.07030	12.4
107.08601	30.4
108.08913	1.1
109.06544	0.9
109.10159	24.4
111.08064	1.7
111.11732	1.4
117.07014	1.8
119.08591	36.1
121.06533	0.9
121.10146	25.1
122.10477	0.9
123.08083	1.7
123.11703	10.6
131.08589	6.5
133.10150	11.6
135.08084	6.3
135.11705	23.7
137.09624	3.8
137.13239	5.6
139.11198	1.6
143.08536	1.4
145.10120	12.2
147.11708	11.2
149.09639	1.9
149.13289	10.7
151.11223	1.2
151.14803	1.0
156.50584	0.8
157.10071	2.0
158.10835	1.3
159.11710	10.4
161.13261	7.7
162.13608	1.2
163.11217	1.0
163.14841	9.8
165.09082	4.3
165.12759	1.3
167.10400	1.0
169.10103	0.9
171.11743	2.2
173.13260	8.2
175.14845	8.2
177.16393	11.0
179.14310	2.2
185.13229	2.2
187.14835	14.0
189.16403	12.2
191.14227	1.3
191.17970	16.8
193.15831	1.2
197.13321	1.0
199.14771	1.6
201.16370	7.2
203.14359	1.5
203.17989	4.5
204.18381	1.1
205.15901	28.3
207.17474	7.2
213.16414	1.5
215.17955	3.0
217.19585	1.9
219.17404	3.6
219.21042	1.5
227.17949	0.9
229.19536	3.3
231.21039	2.7
241.19569	1.6
243.21114	2.0
245.22646	9.8
246.22865	0.8
255.21072	3.2
257.22635	2.8
259.20642	1.0
259.24139	4.2
261.22086	1.6
263.20370	1.0
269.22711	1.1
275.23581	1.5
285.22198	1.1
285.25522	1.3
287.24127	1.0
301.14145	1.1
346.29907	0.9
381.35178	21.4
391.33664	5.1
399.36243	7.2
409.34619	15.7
410.34903	1.0
427.24704	17.5
427.35712	100.0
428.36234	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	427.358
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05501	4.7
57.07065	4.2
67.05514	7.3
69.07080	12.9
69.66477	17.3
79.05505	4.2
81.07050	21.3
83.05033	3.1
83.08633	6.6
85.32360	2.3
86.46735	2.5
91.05504	5.6
93.07059	14.4
95.08615	23.1
97.10205	3.6
105.07049	11.1
107.08607	26.5
109.10155	20.6
109.44213	2.5
119.08587	12.9
121.10131	16.5
123.11742	8.4
131.08543	4.6
133.10146	13.0
135.08115	5.7
135.11703	16.3
137.09615	26.8
137.13292	4.9
140.82617	2.6
145.10159	9.0
147.11734	8.2
149.13292	10.6
159.11748	5.3
161.13327	6.9
163.11223	4.5
163.14880	6.2
171.11717	4.6
173.13318	5.8
175.14839	3.1
176.46776	3.0
177.16437	7.0
187.14879	7.9
189.16397	7.6
191.18057	5.1
203.14400	4.4
203.17900	3.3
205.15883	19.3
207.17458	3.7
219.17477	4.6
231.21210	3.2
244.33165	2.6
245.13017	2.4
356.58136	2.8
375.39044	2.6
377.89899	2.6
388.30423	3.2
409.34525	15.3
420.75885	2.7
427.24631	3.3
427.30157	5.5
427.35815	100.0
427.47498	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	427.3573
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05511	2.5
55.09559	0.7
55.62640	0.6
67.05509	2.5
67.38194	0.8
69.07061	3.9
71.11517	1.7
79.05502	2.1
79.25282	0.6
81.07063	7.9
81.35299	0.8
83.05001	2.0
83.08628	2.4
91.05479	2.4
92.55759	0.7
93.07059	6.6
95.08052	1.1
95.08620	14.7
97.06560	1.3
97.10151	1.2
105.07047	5.5
107.08601	11.3
109.06541	0.7
109.10168	6.9
111.08083	0.9
117.07153	0.7
119.08594	5.8
120.09132	0.8
121.06506	0.8
121.10157	12.2
123.08091	2.1
123.11713	5.2
131.08557	1.5
131.46002	0.8
132.76523	0.8
133.10146	3.9
135.08061	2.6
135.11711	8.1
137.09596	1.1
137.13260	2.0
145.10089	3.8
147.11697	3.4
149.09624	11.1
149.13261	2.5
157.10188	1.3
159.11696	3.4
161.13248	2.8
163.11287	1.2
163.14920	1.7
165.09097	2.1
165.86981	0.8
173.13303	1.9
175.14873	4.1
177.16374	7.2
187.14845	1.1
189.16385	2.4
191.17998	1.9
195.89641	0.8
199.14859	1.0
201.16440	2.2
203.14288	0.8
203.18028	1.1
217.15938	1.3
219.17484	3.2
229.19482	1.4
233.19044	1.8
235.16911	1.0
243.21172	0.8
247.20734	1.0
273.22089	5.5
311.33990	0.7
365.11212	0.9
409.34689	2.4
427.15427	2.4
427.35764	100.0
428.36096	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.05513	14.7
57.07069	6.2
67.05511	32.2
67.99477	2.0
69.07079	17.5
70.74979	2.7
70.75289	3.8
71.98466	2.3
75.62241	1.9
77.51311	1.9
79.05502	20.5
81.07068	47.7
83.08645	10.5
91.05478	19.0
93.07050	44.5
95.08614	100.0
97.06550	3.8
97.10189	4.6
105.07043	45.9
107.08607	69.8
109.06525	4.1
109.10166	56.8
110.10470	2.9
111.08121	3.2
113.09660	2.1
117.07018	4.3
119.08589	57.7
121.10153	61.2
123.08096	9.5
123.11710	16.5
125.09676	2.9
131.08563	14.2
133.10139	41.4
134.73982	2.1
135.08092	4.6
135.11705	37.8
137.09579	4.0
137.13301	7.3
142.07747	2.9
143.08553	2.6
145.10130	23.7
147.11696	38.8
148.12444	2.2
149.09708	5.2
149.13266	25.8
157.10199	8.1
159.11728	27.4
161.13280	40.5
163.11182	5.8
163.14850	24.4
165.12773	19.0
171.11777	5.0
173.13269	15.9
174.97679	2.1
175.11182	2.3
175.14845	38.3
175.16261	3.0
177.12863	6.2
177.16389	22.5
183.11832	2.6
185.13362	6.5
187.14877	24.6
189.12718	2.9
189.16412	28.5
191.14398	4.8
191.17979	10.1
193.15816	2.9
199.14905	9.0
201.16414	15.9
203.14342	4.2
203.17979	58.6
204.14749	2.8
205.15924	32.4
207.17548	8.2
211.15045	2.1
213.16443	4.4
215.18051	8.3
217.16034	3.2
217.19556	5.9
219.17548	6.4
223.16885	14.9
223.31248	2.3
227.17992	6.4
229.19609	9.7
231.17572	4.6
231.21138	2.6
233.19106	2.8
239.18080	2.3
241.19513	3.6
243.21249	3.2
245.19110	3.2
249.18471	3.7
255.21082	4.7
257.22806	2.5
259.20752	3.1
295.24280	8.2
313.25192	14.1
331.26373	18.6
357.28162	3.6
391.33795	7.8
409.34821	21.6
427.35782	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	7-Oxostigmasterol
Peak:m/z	Relative Intensity
53.03952	1.8
55.05515	22.6
55.45794	1.2
57.07085	6.7
59.47865	1.2
67.05509	13.3
69.07074	43.0
69.53167	3.5
69.53591	6.2
71.08652	4.2
73.29240	1.2
78.04061	1.3
79.05510	8.2
81.07074	23.6
83.04993	3.4
83.08620	16.5
85.10201	2.6
88.62254	1.3
91.05489	7.8
93.07052	15.7
95.05018	1.6
95.08613	34.0
97.06572	4.2
97.10186	14.4
105.07037	18.8
106.05934	1.3
106.07368	1.4
107.04988	1.9
107.08609	21.4
109.10165	21.4
111.08127	1.4
111.11738	6.6
115.76475	1.2
117.07043	3.2
119.08584	13.0
121.06538	5.1
121.10155	13.0
123.08105	2.7
123.11711	8.3
125.05991	2.2
125.13299	1.7
129.07048	2.7
130.74478	1.3
131.08585	9.8
133.10127	12.5
134.03535	1.3
134.91284	1.4
135.08118	1.6
135.11700	6.9
136.12057	1.3
137.09561	1.3
137.13290	4.9
143.08592	5.6
145.10117	12.0
147.08003	1.7
147.11705	11.1
149.09615	8.4
149.13322	4.7
155.08572	2.8
157.10146	7.8
159.08041	1.5
159.11702	6.8
161.09633	4.4
161.13252	8.1
163.11177	1.7
163.14874	2.4
169.10110	3.5
171.11676	7.3
173.09660	8.3
173.13335	5.7
175.11227	15.3
175.14821	4.8
177.12798	3.7
181.10017	1.3
183.11720	2.1
185.13301	5.4
187.11172	2.8
187.14886	3.8
189.12794	3.2
189.16508	2.1
193.12271	1.7
195.11673	1.9
197.13257	1.8
199.14832	4.1
201.16402	2.4
203.14294	2.8
209.13303	1.5
211.14880	4.2
213.12791	1.3
213.16513	3.2
215.14398	3.0
217.15952	3.8
223.14781	2.0
225.16489	3.2
227.14272	1.6
227.17993	1.9
229.15866	2.8
233.15512	1.4
239.17899	3.0
243.17596	1.4
253.19626	4.3
255.17509	1.4
269.19043	5.6
271.20752	6.6
279.21051	1.4
281.22464	2.2
283.24307	1.7
285.22266	2.8
287.20099	2.2
293.22650	3.2
297.22113	10.0
299.23837	4.0
311.23795	10.0
315.23392	3.6
329.24710	3.4
381.35938	1.9
391.33636	2.3
409.34702	21.1
427.35663	100.0
428.35907	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	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05509	17.7
57.07065	6.2
65.41505	1.5
67.05231	1.7
67.05509	22.5
67.91279	1.8
69.03418	5.1
69.06720	2.5
69.07070	25.1
69.37975	13.5
73.69859	1.5
79.05499	18.9
81.07060	43.2
82.07404	2.6
83.04975	3.2
83.08641	11.3
85.06542	3.7
86.09702	5.8
91.05476	19.4
93.07053	39.0
95.04964	4.8
95.08612	90.1
97.10184	9.1
97.10719	2.0
99.08110	2.2
105.07040	47.8
107.08593	72.7
109.06499	3.4
109.10159	53.6
111.08084	5.5
117.07005	4.4
119.08586	55.5
120.08809	2.2
121.06575	2.6
121.10152	61.6
123.08068	3.8
123.11712	20.2
129.05421	3.3
131.08582	13.3
133.10138	43.0
135.08078	4.9
135.11703	34.5
137.09621	2.8
137.13277	3.5
143.08543	4.9
145.10127	25.9
147.11696	39.6
149.09616	8.7
149.13278	31.2
151.11168	2.1
157.10139	3.3
159.11682	22.2
161.13261	25.8
163.11205	6.8
163.14835	33.1
164.07076	2.1
165.12766	3.9
165.16440	4.0
167.10709	2.1
171.11676	4.2
173.13249	11.1
175.14827	28.9
177.12854	2.7
177.16402	35.2
179.14311	4.7
186.14995	2.0
187.14798	20.1
189.16385	37.2
191.17957	29.1
195.13821	4.0
197.13271	2.8
199.14822	6.3
201.16391	19.6
203.17961	100.0
205.15909	27.4
205.19524	3.8
207.17358	3.5
213.16393	3.8
215.17926	4.4
217.15910	3.0
217.19531	8.0
219.17447	11.5
223.16878	14.6
227.17989	2.2
229.19566	5.8
231.17456	3.5
231.21112	7.0
237.18507	3.1
245.18939	3.3
247.20517	2.9
249.18564	3.7
257.22568	4.8
259.20605	3.9
311.27475	2.6
313.24973	1.8
317.11771	1.8
371.37711	2.0
391.33557	10.7
409.34625	32.4
427.35815	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38347	1.1
55.05519	5.6
57.07071	2.4
67.05502	10.4
69.07073	12.7
69.92087	2.3
69.92475	2.4
79.05505	10.1
81.07059	25.1
83.05006	1.3
83.08623	5.1
85.06541	1.0
87.05345	1.0
91.05482	11.4
93.07051	23.4
95.08609	48.0
96.08921	1.8
97.06543	1.3
97.10165	3.1
98.97602	1.3
105.07034	24.9
107.07870	1.9
107.08601	38.0
109.10155	26.6
111.08057	1.5
117.07004	2.7
119.08585	25.9
120.76166	1.0
121.06490	3.7
121.10147	35.3
123.08105	2.3
123.11705	7.9
131.08577	4.4
133.10135	22.4
135.08080	2.6
135.11688	22.0
137.13275	1.5
143.08543	2.5
145.10112	11.9
147.11696	26.2
148.12044	1.7
149.09656	1.5
149.13274	15.5
157.10129	3.0
159.11705	9.2
161.13289	13.0
163.11208	3.3
163.14836	19.1
171.11612	1.9
173.13297	2.3
175.11177	1.5
175.14832	17.2
177.12900	2.1
177.16391	18.9
185.13222	1.5
187.14830	12.9
188.15221	1.8
189.16391	11.5
191.17960	11.9
195.13800	2.5
197.13245	0.9
199.14706	1.5
201.16418	7.4
203.17967	100.0
204.18231	1.1
205.15891	24.3
205.19376	1.8
213.16470	1.6
215.17950	1.9
217.19426	1.8
219.17468	3.7
223.16919	20.4
227.17841	1.2
231.17535	1.5
231.21046	3.1
237.04428	1.3
249.18599	1.9
391.33688	3.4
409.34723	14.1
427.35580	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	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05500	17.9
57.07067	7.5
66.42849	3.8
67.05518	26.6
69.07066	34.6
71.57720	7.0
79.05479	17.5
81.07063	64.4
83.08607	20.6
85.06560	4.2
91.05470	18.7
93.07045	55.1
95.04958	5.8
95.08612	100.0
97.10161	6.0
105.07038	35.9
107.08602	74.0
109.06486	4.6
109.09472	4.9
109.10168	54.3
111.08065	8.3
119.08598	39.6
121.06509	8.1
121.10159	69.5
123.11706	29.4
129.06969	5.0
131.08554	15.0
133.10117	36.7
135.11707	33.6
137.09618	12.5
139.07578	4.3
143.08585	9.9
145.10109	24.4
147.11699	26.5
149.09502	5.0
149.13263	46.2
151.11230	5.4
151.14839	4.1
151.72301	4.4
157.10135	5.5
159.11653	15.7
161.13254	14.0
163.14822	36.3
167.10732	4.9
173.13278	9.0
175.14813	20.1
177.16422	45.1
179.18065	4.3
180.44913	4.5
185.13263	4.3
187.14841	14.8
189.16403	32.6
191.14215	6.5
191.17990	25.7
197.13132	5.2
201.16409	11.8
203.17992	48.9
205.15877	11.9
205.19531	8.8
205.51671	4.1
209.15317	4.7
213.16205	5.1
215.18030	6.2
217.19505	7.6
229.19487	4.7
231.21207	5.2
249.18546	5.8
381.35181	5.5
391.33105	8.0
399.28369	5.3
409.34717	28.1
427.28439	18.5
427.35608	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	427.3574
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05499	14.4
57.07083	33.5
59.04597	3.3
60.39344	2.9
65.13812	3.3
67.05508	11.5
67.08721	3.7
69.07069	32.4
71.08638	32.3
72.50855	3.6
79.05490	9.8
81.07059	27.4
83.08610	14.9
85.10178	14.9
91.05477	7.3
93.07038	21.4
95.04942	4.7
95.08617	34.8
97.06518	6.9
97.10168	16.9
97.28941	3.6
98.20666	7.3
105.07024	13.8
107.04957	9.3
107.08640	18.7
109.06550	10.2
109.10157	15.1
111.11706	6.4
117.07054	3.7
119.08576	9.4
121.06508	21.9
121.10157	7.2
125.05946	4.3
131.08594	10.7
133.10117	8.9
133.73657	3.7
135.08066	7.9
135.11708	13.0
137.05927	4.2
143.08557	4.6
145.10162	9.3
147.08049	13.8
147.11623	4.4
149.13271	8.2
155.08626	4.7
159.08047	6.7
159.11642	5.5
161.09650	5.0
171.07816	4.4
173.09654	14.8
173.13210	3.4
175.11200	4.6
177.12740	3.8
189.12796	4.6
199.11130	4.3
201.12822	4.6
213.12840	3.6
269.19104	5.8
275.27328	4.9
295.79245	4.2
319.32019	4.0
369.31461	4.2
380.75162	3.8
409.34695	34.0
427.30014	7.1
427.35770	100.0
428.35962	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	427.3941
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03939	3.2
55.05512	17.9
57.07067	11.0
67.05508	28.3
69.07072	38.5
69.69242	14.2
71.08631	5.0
79.05488	15.3
81.07062	58.8
83.08643	15.7
85.10181	3.5
91.05479	12.6
93.07058	48.8
95.08612	100.0
97.10168	7.7
99.42812	2.4
105.07032	23.0
107.08601	75.5
109.10159	79.7
111.11709	6.1
117.15042	3.2
118.18469	2.6
118.45332	3.2
119.08598	30.2
121.10146	56.5
123.08053	5.6
123.11713	41.6
128.78571	3.1
131.08591	5.0
133.10130	27.1
135.08040	4.2
135.11714	49.8
137.09550	3.1
137.13261	14.1
145.10176	7.9
147.11713	24.1
149.09666	5.9
149.13268	54.4
151.14793	3.6
157.10086	4.0
159.11673	7.1
161.13283	18.0
163.14832	34.3
165.09122	18.4
165.16380	3.2
173.13269	3.2
175.14842	12.3
177.16396	11.8
179.14275	14.0
187.14853	6.4
189.16371	24.0
191.17955	47.8
201.16377	7.0
203.17914	12.5
205.15880	9.9
205.19562	14.6
207.17453	13.5
213.16301	3.1
215.18016	6.2
217.19531	17.0
219.21088	15.7
229.19543	2.7
241.19450	3.6
245.22868	2.7
257.22635	4.4
271.24237	5.3
287.27103	2.8
368.38824	3.0
391.33475	4.8
409.34286	9.2
409.39145	18.1
427.35132	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	428.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50895	0.5
55.67046	0.5
58.59808	0.6
66.39475	0.5
68.08391	0.6
70.95879	0.9
70.96212	0.9
85.02910	0.7
86.06079	1.6
88.63914	0.5
91.05482	1.0
95.04943	1.0
105.07034	0.8
119.78348	0.6
121.06493	2.3
133.02234	0.5
142.07761	2.2
157.10143	1.7
159.11638	0.6
164.07069	1.7
167.05803	1.6
174.05260	1.2
177.28169	0.5
182.08157	21.4
185.09621	2.7
187.11205	0.9
203.06808	2.8
204.06329	0.8
208.09735	2.1
213.09123	5.0
218.07913	100.0
219.08328	0.7
226.10767	62.9
227.11005	0.8
231.10194	2.3
236.08925	0.7
242.07951	0.6
248.06458	1.1
248.08995	19.5
385.02008	0.5
410.15698	1.1
421.48691	0.5
428.16846	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	428.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05516	1.2
56.92572	1.1
56.96561	2.4
57.03439	9.3
57.11192	1.1
59.20987	1.1
61.02932	1.5
65.03934	2.4
69.03439	10.7
69.07085	1.3
70.06594	2.8
70.72721	2.2
70.73080	1.9
71.05025	2.8
72.08146	2.0
73.02902	2.2
77.72530	1.2
79.05500	4.2
81.03430	1.3
81.07065	29.6
85.02925	11.7
87.04466	4.9
88.23922	1.3
91.05483	7.0
93.03399	4.1
94.04221	1.6
95.04951	2.1
97.02912	9.1
98.97598	4.3
99.08105	31.7
103.05487	2.3
104.10715	1.8
105.07043	2.9
107.04942	2.9
110.03619	1.5
111.04444	3.0
115.03941	7.5
115.05467	1.6
116.98636	2.6
117.03402	2.6
117.09139	77.7
119.04951	11.1
121.06510	6.8
122.03644	4.8
125.05981	4.1
127.03977	2.0
131.04922	3.8
133.04962	5.8
133.06499	3.0
135.04382	3.5
137.05992	100.0
138.92152	1.2
145.02898	5.7
145.04953	2.1
145.06517	1.2
147.04428	16.5
149.06017	8.8
150.06694	2.3
151.03885	1.2
153.05484	5.9
153.06586	1.2
160.05261	1.3
161.06004	24.8
162.06784	7.3
163.03972	9.9
163.07545	2.8
167.07085	1.7
172.05208	2.2
175.07556	5.8
177.05516	10.7
179.07068	7.9
182.71674	1.4
183.82625	1.4
188.04718	1.2
191.07024	3.4
195.06528	1.8
203.07089	18.7
211.02809	1.1
219.08063	1.3
221.06017	1.6
221.08105	22.4
233.08049	2.0
237.02820	1.8
251.06911	1.6
253.08456	1.2
265.08737	1.4
266.07321	1.4
266.13843	2.6
267.10049	1.6
277.08563	3.7
277.58276	2.0
278.08734	1.5
285.11240	3.4
297.11353	2.7
309.11169	5.4
325.10837	2.1
327.12161	2.5
339.07648	1.6
343.11789	6.1
345.13339	12.3
357.13318	2.8
404.51602	1.4
428.12427	8.6
428.20212	1.9
429.13565	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	428.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
63.02383	0.4
67.40183	0.2
69.03423	0.6
69.24288	1.7
70.06596	1.3
72.08157	5.7
73.06559	0.2
81.03420	0.2
84.08144	0.7
85.02912	0.7
89.03925	2.4
90.09190	0.5
91.05495	0.5
93.44073	0.2
97.02897	0.6
98.20780	0.4
98.97551	0.2
101.06042	0.2
103.05475	0.4
112.07607	0.7
117.03386	11.9
117.09129	0.9
117.09892	0.2
121.06543	1.3
127.03937	0.4
128.10724	0.3
134.03659	0.6
135.04425	0.6
140.07068	0.3
140.73911	0.2
145.02853	41.5
145.92099	0.2
146.03206	0.4
146.11769	0.3
149.05989	4.2
162.03194	0.3
163.03891	0.4
175.03831	0.2
177.05476	100.0
178.05853	0.7
186.05515	0.5
201.08946	0.2
248.12619	0.3
261.07602	0.2
265.06604	0.2
266.13885	4.5
290.16092	0.3
311.52682	0.2
321.09729	0.9
339.10828	0.9
366.34662	0.2
428.12357	2.2
428.19052	1.6
428.23389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30557	0.4
65.03932	0.9
67.01524	0.4
71.58826	0.7
79.05476	1.9
91.05486	16.8
92.05816	0.6
92.68571	0.5
93.07057	1.5
95.04956	2.5
102.44131	0.4
103.05480	3.8
105.07033	0.7
107.04965	2.1
109.06515	1.2
115.51392	0.4
119.04948	11.3
121.06506	7.3
123.04433	0.6
130.58763	0.4
131.04935	1.1
133.88620	0.4
137.05980	100.0
138.06366	0.9
151.03929	3.6
165.05478	12.2
167.07065	1.4
168.07430	1.1
181.04919	0.6
190.92642	0.4
193.05005	0.6
194.08159	0.8
198.06636	0.5
207.06490	1.0
207.46400	0.5
214.09517	0.7
225.07452	2.4
231.13753	1.1
236.09215	2.8
239.09204	1.2
329.09756	0.6
361.12756	1.6
384.15063	0.6
385.16089	2.5
410.16815	0.8
428.13101	4.1
428.18185	3.5
454.20132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.31017	0.4
61.02912	0.8
69.03443	2.4
69.07056	0.7
70.06583	1.0
70.72786	0.7
70.73099	0.4
71.05000	0.7
72.07800	0.7
72.08160	9.5
73.02916	0.5
73.06570	0.5
74.44828	0.4
81.03396	0.4
81.07039	0.6
85.02915	5.3
87.04479	0.7
89.03921	3.2
90.09188	1.5
91.03986	0.5
91.05463	0.5
97.02908	2.1
98.97591	1.0
99.04424	0.6
99.08076	1.4
106.53747	0.4
109.02884	0.7
115.03969	0.9
117.03390	12.9
117.09146	5.1
119.04963	0.4
121.06429	0.5
121.64541	0.4
121.65465	0.4
127.03915	1.4
133.04979	0.8
134.03629	0.7
135.04416	1.7
137.05989	0.7
145.02859	43.4
145.04895	1.7
148.79250	0.4
149.02713	0.6
149.05981	4.7
149.44510	0.4
150.07719	0.6
163.03903	1.6
163.06056	0.6
177.05484	100.0
178.05893	1.0
186.05440	0.4
204.10265	0.5
219.01761	0.5
237.02724	0.4
266.13907	18.2
339.07455	0.7
354.93466	0.4
357.08603	0.6
364.10364	1.0
391.55844	0.4
428.11603	6.2
429.21149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07372	0.4
65.03935	1.1
67.05490	0.6
70.62398	1.6
72.22961	0.4
79.05446	0.5
79.11568	0.6
81.07043	1.2
85.06550	0.5
91.05483	19.4
93.07015	1.0
95.04950	2.9
109.06502	1.1
119.04947	13.8
121.06500	3.4
121.10205	0.5
123.04452	1.0
137.05981	100.0
138.06297	0.7
147.04456	0.8
149.09796	0.5
151.03900	6.7
151.07556	2.2
165.05492	21.3
166.05829	0.5
179.07036	2.3
193.04933	0.7
207.06566	1.2
225.07578	4.8
239.09163	3.7
243.08644	1.5
244.47647	0.4
256.50555	0.5
257.10303	0.6
301.10736	1.1
347.11578	0.7
361.12610	0.8
398.67856	0.6
428.16891	1.4
434.85153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16127	1.1
69.77430	6.3
71.47821	1.1
82.53532	1.0
91.05487	15.5
95.04958	1.4
119.04961	11.8
120.34302	1.3
137.05986	100.0
140.22276	1.2
151.03926	2.4
164.90694	1.1
165.05499	12.6
167.53615	1.2
195.43062	1.1
225.07553	3.3
239.09261	1.3
240.36168	1.5
361.12823	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	428.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.05500	0.8
57.07064	1.3
67.05499	0.9
69.66526	2.2
79.05481	0.6
81.07062	1.0
85.10161	0.4
89.11530	0.4
91.05485	3.0
93.07061	2.4
95.04949	0.5
95.08591	1.0
98.21458	0.8
103.05478	1.3
105.07007	0.5
107.08544	0.7
118.43460	0.4
119.04961	0.6
119.08559	0.5
120.08090	1.6
120.08928	0.4
121.06518	8.6
122.06011	0.7
130.04979	0.4
132.04462	0.5
133.10178	0.4
135.20734	0.5
137.05978	3.8
148.07599	0.5
150.05524	2.0
164.07077	38.3
165.07491	0.8
179.09427	0.5
206.08185	0.5
218.07925	1.8
226.10721	0.8
234.14908	5.0
238.00011	0.4
248.16476	100.0
249.17160	3.4
252.28969	0.4
276.15994	0.6
290.17761	0.6
308.18768	0.8
354.20703	8.2
386.23425	0.9
428.24393	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.116
Annotation	Venkatasin
Peak:m/z	Relative Intensity
67.10065	1.5
69.46052	12.8
81.45722	1.8
89.45817	1.7
94.20432	1.8
105.72903	1.8
129.04456	1.6
138.14668	1.9
145.06845	1.9
203.05086	2.7
205.04683	3.2
253.57063	1.8
267.08032	1.8
389.59442	1.9
429.11697	100.0
430.11282	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37902	0.4
56.96571	1.5
57.03436	0.8
60.09762	0.4
60.10117	0.5
61.02918	0.7
69.03423	0.9
69.33828	0.6
69.46552	3.5
70.06586	0.7
73.02918	1.0
84.08116	0.5
85.02919	1.9
89.03933	0.7
93.35604	0.6
94.06593	0.8
97.02882	1.3
98.21555	0.5
98.97581	5.3
100.03961	0.5
109.06551	0.5
110.97617	1.1
116.98619	1.0
119.04945	1.1
122.06042	1.0
128.98610	0.7
131.04922	0.8
135.04483	1.0
136.06213	1.6
137.06010	2.2
143.00230	0.6
145.02832	0.7
147.04449	2.2
150.05519	22.8
158.99614	1.4
163.03915	2.7
164.04320	0.8
167.05721	0.6
167.06985	2.3
170.99629	0.5
177.00729	0.7
177.05515	1.4
178.05885	0.7
179.07027	0.7
189.00705	0.6
199.59845	0.5
201.05309	0.7
203.05284	27.7
203.63800	0.5
219.01746	2.3
219.06345	1.6
226.05934	0.8
227.06830	0.7
237.02853	1.9
239.04492	0.7
241.06914	0.5
244.04378	0.8
249.07397	1.7
250.54904	0.5
267.09851	5.6
355.06866	0.6
387.05832	0.9
429.13751	100.0
430.14142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	2.6
69.07096	0.9
69.68436	3.7
70.03400	0.7
73.02927	0.8
73.04752	1.0
76.90016	0.9
85.02917	5.5
89.03881	1.0
91.05830	1.4
97.02898	2.5
98.97592	3.3
109.02915	1.3
110.97585	1.4
116.15946	0.9
116.16754	0.7
116.98579	1.3
123.04462	1.0
127.03918	2.0
131.04947	2.0
133.07614	6.9
135.04420	1.2
137.06012	2.9
145.02863	1.2
145.04941	1.1
147.04404	1.2
163.03957	2.8
163.07567	1.1
166.12366	0.8
167.05663	1.3
167.07104	2.1
177.05484	1.5
178.05899	1.0
191.03218	3.0
192.03961	2.7
194.97430	2.1
212.98459	1.7
219.01768	1.5
219.06557	1.0
234.98944	1.0
237.02861	1.6
251.05383	2.2
266.07635	9.6
267.08423	3.4
267.13318	7.7
272.98538	1.0
333.59415	0.8
339.01575	3.8
359.02957	1.4
387.03812	1.2
398.11932	1.7
429.13751	100.0
429.19965	12.6
430.14139	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.81235	0.5
50.95194	0.5
55.01513	0.5
55.05525	2.6
57.07080	14.7
67.05500	3.9
69.07069	4.3
71.08630	9.9
71.39910	0.8
71.77551	0.5
72.30249	0.5
79.05485	1.9
81.07060	6.9
83.04952	0.7
83.08622	2.9
85.10184	5.5
86.30672	0.5
91.05458	2.2
92.55253	0.5
93.07032	2.3
95.08606	6.2
97.10154	1.9
105.07051	2.6
107.08598	5.8
109.06483	0.7
109.10148	5.2
111.04449	1.2
111.11714	1.4
117.07013	1.3
119.08604	2.8
121.06462	0.8
121.10137	3.6
122.07283	0.9
123.08044	0.8
123.11715	1.0
125.05964	0.7
129.07008	0.8
131.08530	1.8
133.10110	1.0
135.08063	3.3
135.11696	2.2
137.05931	0.5
137.09613	7.2
137.13219	1.3
139.07549	1.6
145.10141	2.6
147.11690	0.7
149.09624	14.1
149.13252	0.9
151.07579	0.8
157.10136	0.8
159.08061	0.7
159.11713	2.8
160.08809	0.8
161.05989	0.8
161.09581	0.7
162.06718	1.2
163.07535	0.7
163.11188	20.5
165.09117	100.0
172.08907	0.5
173.09644	2.2
173.13284	1.7
175.07405	0.6
175.11200	6.0
176.08302	1.5
177.09113	9.7
177.12779	1.7
179.10692	1.5
185.09787	0.7
186.10403	1.8
187.11230	2.7
187.14813	1.1
189.09044	1.2
189.12694	1.8
190.09889	1.4
191.10677	9.8
191.14320	0.8
193.12244	0.9
200.12033	0.6
201.12758	3.7
203.10698	2.3
203.14401	0.9
204.11401	0.6
205.12234	9.8
215.14374	1.1
219.13805	6.7
229.15915	0.7
233.15358	2.4
247.17006	1.6
261.18497	1.4
275.20065	1.4
289.21643	1.8
297.34973	0.6
303.23288	1.9
317.25006	1.5
331.26379	0.7
345.27887	1.6
373.31064	1.0
401.34204	2.9
411.36160	2.4
414.35034	0.7
429.37292	62.4
430.37372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3731
Annotation	26-Hydroxystigmast-4-en-3-one
Peak:m/z	Relative Intensity
55.05515	12.3
57.07075	16.4
59.45525	1.1
65.03928	1.2
67.05512	11.4
69.06721	1.8
69.07069	24.7
69.20986	10.9
71.08632	14.0
75.76212	1.0
78.93032	1.2
79.05489	6.6
81.07060	22.1
83.04976	4.1
83.08627	9.2
85.10186	9.3
86.06067	2.1
87.04454	3.7
89.29015	1.0
91.05462	5.4
93.07037	13.5
95.04964	2.5
95.08612	33.1
97.06531	5.9
97.10181	9.0
105.07034	16.7
107.04980	1.6
107.08598	12.3
109.06544	1.5
109.10165	13.2
111.08129	1.3
111.11736	6.2
117.06974	1.8
119.08587	11.5
121.06493	7.6
121.10145	10.3
123.08095	5.1
123.11685	7.1
125.05978	2.4
125.13282	2.7
129.07021	2.3
131.08589	6.1
133.10114	11.0
135.08060	5.1
135.11710	7.1
137.09596	3.7
137.13243	3.2
142.07755	2.1
143.08557	4.3
145.10149	9.6
147.08031	2.2
147.11685	9.7
149.09628	11.1
149.13242	4.5
155.08536	2.4
157.10143	11.4
159.11667	9.6
159.42786	1.1
161.09613	4.8
161.13203	5.9
163.11198	5.7
163.14838	3.3
164.07079	5.0
165.09113	13.8
165.16328	1.3
169.10159	2.3
171.11674	6.6
173.09651	3.3
173.13269	7.1
175.11205	16.4
175.14751	1.5
177.09126	1.6
177.12764	5.0
177.16351	1.7
182.10970	1.3
183.11714	2.6
185.13213	5.4
187.14848	2.7
189.12729	4.3
189.16402	2.5
191.10692	1.9
191.14366	1.3
191.17952	1.7
193.12152	1.7
197.13321	2.5
199.14821	4.4
201.16438	1.5
203.14236	2.6
211.14828	3.6
213.16336	3.7
215.14304	4.6
217.15866	5.3
225.16382	1.9
229.15869	6.5
231.17415	1.5
235.24234	1.9
239.17944	2.0
243.17456	1.9
245.18983	1.4
250.10796	8.1
253.19482	2.4
255.21191	1.3
257.18976	5.1
271.20627	5.9
313.25287	2.0
341.28055	1.2
341.32840	1.1
353.32053	1.4
383.36673	5.1
393.35172	8.6
411.36212	35.4
411.44452	1.4
429.32092	5.6
429.37238	100.0
430.37720	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	430.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32757	0.3
54.65758	0.3
69.03440	0.4
70.06588	0.8
70.25529	1.2
79.05463	0.3
84.08131	0.6
85.02890	0.8
97.02870	0.4
98.21203	0.7
98.48335	0.3
99.04389	0.3
104.05000	0.5
115.03916	0.3
120.08118	0.6
121.06490	0.5
122.06010	0.8
127.03888	0.4
132.04448	0.9
134.06032	0.4
150.05525	1.5
164.07077	28.5
175.00700	0.3
175.05745	0.3
178.08704	0.3
182.08154	0.3
194.08154	5.1
208.09702	100.0
209.10440	4.0
226.10670	1.6
250.10774	0.4
268.11780	3.1
298.12698	0.3
307.20142	0.3
356.13416	4.2
380.13235	0.8
388.15970	0.9
430.17142	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	430.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81641	0.4
53.03946	0.4
55.63925	0.4
61.43791	0.4
62.93612	0.4
69.94169	1.4
69.94582	0.7
70.67918	0.5
84.08138	1.5
86.06062	1.4
87.04472	43.0
91.05488	1.8
93.07050	2.7
95.04976	0.8
97.95712	0.5
98.20866	0.7
103.05491	2.0
104.05006	0.6
110.93038	0.4
112.11252	2.1
120.08112	1.4
121.06510	17.0
122.06811	0.6
132.04463	1.6
150.05501	3.6
164.07077	67.3
165.07689	1.4
166.08701	0.6
206.08109	0.5
236.09171	3.9
250.10764	100.0
251.11333	2.1
310.12753	0.7
353.67047	0.7
356.14935	12.8
356.65237	0.4
388.17468	0.9
429.71149	1.0
430.17953	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	430.1865
Annotation	periglaucine D
Peak:m/z	Relative Intensity
50.08394	0.5
65.47925	0.4
70.73512	0.9
70.73886	0.7
87.04480	42.3
91.05475	1.7
93.07058	1.8
95.05003	0.5
103.05475	1.4
104.05027	0.5
111.21790	0.4
112.11268	0.6
120.08109	0.8
121.06521	15.2
122.06065	0.6
127.24411	0.4
132.04462	1.7
132.35997	0.4
134.06012	0.6
145.87895	0.4
150.05524	4.8
164.07088	62.5
165.07895	0.8
178.65961	0.4
191.56534	0.4
236.09186	3.6
250.10777	100.0
251.11337	2.0
270.11340	0.8
273.73166	0.4
311.71460	0.4
356.14969	13.6
388.17368	0.7
430.18634	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
53.45836	0.3
54.62741	0.4
57.07467	0.4
67.68123	0.3
69.03426	0.5
82.92860	0.3
84.08149	1.8
86.06072	10.0
87.04472	41.3
87.06400	1.9
91.05481	1.6
93.07074	2.8
95.04963	0.5
97.55678	0.4
103.05471	2.1
104.04959	0.7
112.11234	2.6
120.08085	1.1
121.06511	19.1
122.06043	0.9
122.06828	0.6
132.04453	1.4
137.05992	0.7
142.37721	0.4
147.04417	0.5
150.05525	4.3
153.72212	0.4
164.07074	63.2
165.07808	1.5
166.08643	1.0
176.66112	0.4
206.07974	0.4
224.09158	0.7
233.11740	0.6
236.09180	3.2
249.12350	2.0
250.10750	100.0
251.11305	2.3
286.36850	0.5
310.12851	1.0
353.66965	0.9
356.14917	12.8
388.17444	0.7
429.71069	1.1
430.18076	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15855	0.3
53.03943	0.5
64.20310	0.4
69.66930	2.3
83.41190	0.3
87.04471	43.3
91.05466	1.6
93.07019	2.0
98.20741	0.7
98.21333	1.1
98.64800	0.4
103.05465	1.4
104.05007	0.6
110.06020	0.5
120.08076	1.0
121.06512	14.2
122.06025	0.9
132.04497	1.8
134.05991	0.4
150.05508	4.7
164.07071	61.0
165.07759	0.9
178.08626	0.4
191.09468	0.5
236.09174	4.2
250.10759	100.0
251.11359	2.4
285.88098	0.4
287.10904	0.4
306.33426	0.5
310.12711	0.7
356.14944	14.2
388.17831	0.5
430.18524	3.4
441.25928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
53.54908	0.4
70.71707	0.4
71.47987	0.5
84.08150	1.1
87.04476	42.5
91.05495	2.1
93.07048	1.8
103.05485	2.0
103.86774	0.5
104.05007	0.7
104.53562	0.4
106.06513	0.4
112.11264	1.0
120.08120	1.1
121.06519	16.3
122.06037	0.6
132.04454	1.9
150.05530	4.5
164.07082	61.3
165.07722	1.5
166.08652	0.6
180.10251	0.5
205.74760	0.5
224.09280	0.7
236.09286	4.0
250.10771	100.0
251.11357	2.7
257.77246	0.4
265.76065	0.4
294.60449	0.4
310.12744	1.1
356.14948	12.3
388.17676	0.5
430.18350	3.4
442.54691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01868	4.9
55.05511	3.2
61.02938	2.1
62.24405	1.6
67.05499	2.8
69.03442	1.6
69.07053	2.7
70.72426	4.1
70.72758	2.1
71.04981	6.9
79.05497	15.2
80.42462	1.8
81.03416	2.1
81.07044	6.2
84.08138	7.5
85.02896	6.6
86.06070	4.3
87.04476	13.9
91.05482	15.1
93.07056	25.7
95.04977	6.8
97.02888	5.8
97.06528	5.6
99.04464	36.6
103.05479	7.2
105.07040	21.1
107.04948	2.1
107.08608	10.0
109.06477	2.0
112.11253	10.0
113.06008	2.3
115.05474	2.6
117.07041	8.4
119.08580	5.2
121.06522	47.5
122.06805	1.7
125.05958	4.2
129.07031	2.8
130.07814	4.5
131.08563	13.3
133.10123	7.0
135.04372	2.5
135.08072	6.3
137.05904	1.7
139.07561	7.2
143.08557	6.6
144.05638	2.1
144.09323	4.3
145.06526	8.7
145.10133	58.3
149.05965	1.8
149.57141	1.8
154.07733	2.2
155.08490	3.2
157.06508	1.8
157.10139	3.0
158.07300	9.3
159.08081	12.1
159.11708	37.1
161.13264	1.8
164.07082	21.2
169.10210	9.2
172.08836	6.0
173.09641	61.8
182.07225	2.5
187.11203	61.7
191.10707	2.3
197.09660	9.3
205.12251	66.3
215.10698	100.0
223.83957	1.6
233.11743	41.1
250.10745	27.6
251.12917	13.1
353.67130	4.6
354.16989	2.9
356.14877	4.7
429.71103	3.9
430.21655	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	430.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	22.4
57.07076	11.3
59.04999	3.3
61.02942	2.7
63.04496	22.5
69.03432	48.4
70.06588	2.7
70.29403	3.8
70.29758	1.5
73.02919	15.6
75.04462	1.2
81.03420	2.6
81.26881	1.1
84.08159	1.6
85.02908	44.0
86.09722	2.3
87.04469	37.0
97.02895	51.9
99.04447	1.5
109.02898	2.8
115.03934	67.5
119.10698	100.0
121.06488	1.5
127.03920	7.2
133.04968	63.7
145.04956	5.8
150.07635	4.5
163.06050	1.8
169.04979	1.3
183.02892	1.3
184.28160	1.3
208.09700	2.0
211.40126	1.3
241.06987	2.5
251.14919	3.6
259.08197	3.5
277.09152	1.6
281.15991	3.1
295.10388	2.8
295.32135	1.2
299.05399	11.9
325.06915	2.4
353.06543	4.6
383.07828	2.0
395.07635	2.5
413.08609	2.3
430.14914	2.7
431.09454	3.5
434.53345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58815	0.5
54.29728	0.5
61.02948	0.5
66.49857	0.5
69.03421	1.4
71.56426	0.7
74.48981	0.4
74.61083	0.5
77.51760	0.5
81.03409	0.6
85.02918	3.5
94.93025	1.4
97.02873	0.9
121.06522	1.4
127.03929	1.9
135.04359	0.7
137.05981	0.8
145.05031	0.8
157.03456	0.7
163.03931	5.3
164.04259	0.7
184.05821	1.7
185.02983	0.7
193.06389	2.2
202.42007	0.5
223.06725	1.4
231.88126	0.6
248.89777	0.8
250.97391	0.9
251.08899	1.5
256.96146	0.7
265.07779	2.9
268.98242	4.0
281.05533	0.6
293.07053	0.6
398.12241	0.6
431.01447	100.0
431.14706	9.3
432.01620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1528
Annotation	Polygalatenoside C
Peak:m/z	Relative Intensity
57.71415	0.4
69.58749	1.8
69.59156	0.7
85.02954	0.5
89.93794	0.4
92.92844	0.4
121.06494	0.8
203.05278	3.1
223.45297	0.5
233.07886	0.8
237.29059	0.5
251.08934	12.3
256.13947	0.4
269.09964	2.5
431.15289	100.0
432.15677	1.5
440.04172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90625	0.3
71.23748	0.8
73.77731	0.4
85.02900	0.5
93.47628	0.3
121.06537	0.4
203.05223	2.4
233.07832	0.4
248.63135	0.4
251.06380	0.5
251.08929	10.0
269.03494	0.3
269.09979	1.9
413.14465	0.4
425.53586	0.4
426.13547	0.4
431.15280	100.0
432.15829	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
56.96572	4.3
59.04996	2.8
60.04517	2.4
67.05505	5.0
68.05028	3.0
69.03427	8.1
69.07064	5.5
70.05749	2.1
70.06587	4.6
70.72430	5.2
71.05004	14.1
72.08160	12.4
79.05491	12.7
80.05025	6.7
81.03443	4.9
81.07078	13.3
81.41568	2.2
81.86040	2.2
82.06580	16.3
83.04986	4.8
84.04504	14.9
84.08169	3.9
85.02912	7.2
86.06071	4.7
86.09711	4.1
88.03967	3.5
91.05492	6.7
93.07057	13.1
95.04984	5.5
95.08612	3.6
96.04514	19.4
97.02891	3.7
97.06555	4.5
98.00634	2.2
98.06106	2.6
98.97615	14.4
99.04440	2.8
103.05497	3.2
105.07037	11.9
107.04971	6.4
107.08613	15.4
108.04502	14.0
109.02861	2.8
109.06516	10.0
109.10160	16.4
110.06055	23.5
111.02672	3.8
112.02199	6.9
112.07616	5.7
112.11224	4.3
114.03749	6.0
115.02126	2.3
116.01721	3.3
116.98647	2.6
117.07008	3.6
119.08588	2.8
120.08083	2.1
121.06526	20.2
121.10133	4.4
123.08104	2.9
123.11731	8.1
125.05978	3.9
125.09686	3.4
126.03792	2.9
131.08571	2.4
133.10156	5.5
134.25453	2.3
135.08070	2.9
136.03946	24.7
137.07092	2.2
138.05525	6.0
139.02080	2.8
139.05690	2.1
139.11180	2.1
140.01675	11.4
141.03696	3.5
142.03235	35.3
144.04787	4.7
145.10124	6.2
146.06056	3.9
149.09663	11.0
150.10378	3.1
151.07587	2.6
151.11197	100.0
154.03242	3.9
159.11641	3.2
163.11183	12.2
169.08688	2.9
169.12280	8.6
170.02745	9.7
172.04326	2.7
173.09650	6.2
176.27361	2.2
178.08675	6.1
183.08432	4.8
187.11272	4.4
188.10808	5.4
191.10666	2.7
193.06143	6.8
199.07805	5.9
201.09459	3.2
209.09973	15.5
211.07121	16.1
213.08818	3.9
215.10713	4.3
216.06618	3.2
219.01772	5.2
220.09694	9.4
222.09402	4.6
222.11360	3.9
224.07469	2.2
225.09474	4.5
227.10905	3.3
233.11823	9.5
237.02922	3.5
243.04437	5.3
245.05884	11.1
248.09319	6.7
250.10727	6.9
251.09496	4.5
263.12985	2.8
268.11798	3.0
269.10623	4.0
292.13699	51.8
294.09668	6.7
310.14722	25.7
320.13141	6.9
338.14325	5.2
371.13705	14.6
372.14346	4.3
395.16464	25.9
404.16983	3.6
413.17413	9.5
417.38074	2.4
431.17432	9.2
431.23059	5.4
432.16522	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	431.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
56.96572	4.3
59.04996	2.8
60.04517	2.4
67.05505	5.0
68.05028	3.0
69.03427	8.1
69.07064	5.5
70.05749	2.1
70.06587	4.6
70.72430	5.2
71.05004	14.1
72.08160	12.4
79.05491	12.7
80.05025	6.7
81.03443	4.9
81.07078	13.3
81.41568	2.2
81.86040	2.2
82.06580	16.3
83.04986	4.8
84.04504	14.9
84.08169	3.9
85.02912	7.2
86.06071	4.7
86.09711	4.1
88.03967	3.5
91.05492	6.7
93.07057	13.1
95.04984	5.5
95.08612	3.6
96.04514	19.4
97.02891	3.7
97.06555	4.5
98.00634	2.2
98.06106	2.6
98.97615	14.4
99.04440	2.8
103.05497	3.2
105.07037	11.9
107.04971	6.4
107.08613	15.4
108.04502	14.0
109.02861	2.8
109.06516	10.0
109.10160	16.4
110.06055	23.5
111.02672	3.8
112.02199	6.9
112.07616	5.7
112.11224	4.3
114.03749	6.0
115.02126	2.3
116.01721	3.3
116.98647	2.6
117.07008	3.6
119.08588	2.8
120.08083	2.1
121.06526	20.2
121.10133	4.4
123.08104	2.9
123.11731	8.1
125.05978	3.9
125.09686	3.4
126.03792	2.9
131.08571	2.4
133.10156	5.5
134.25453	2.3
135.08070	2.9
136.03946	24.7
137.07092	2.2
138.05525	6.0
139.02080	2.8
139.05690	2.1
139.11180	2.1
140.01675	11.4
141.03696	3.5
142.03235	35.3
144.04787	4.7
145.10124	6.2
146.06056	3.9
149.09663	11.0
150.10378	3.1
151.07587	2.6
151.11197	100.0
154.03242	3.9
159.11641	3.2
163.11183	12.2
169.08688	2.9
169.12280	8.6
170.02745	9.7
172.04326	2.7
173.09650	6.2
176.27361	2.2
178.08675	6.1
183.08432	4.8
187.11272	4.4
188.10808	5.4
191.10666	2.7
193.06143	6.8
199.07805	5.9
201.09459	3.2
209.09973	15.5
211.07121	16.1
213.08818	3.9
215.10713	4.3
216.06618	3.2
219.01772	5.2
220.09694	9.4
222.09402	4.6
222.11360	3.9
224.07469	2.2
225.09474	4.5
227.10905	3.3
233.11823	9.5
237.02922	3.5
243.04437	5.3
245.05884	11.1
248.09319	6.7
250.10727	6.9
251.09496	4.5
263.12985	2.8
268.11798	3.0
269.10623	4.0
292.13699	51.8
294.09668	6.7
310.14722	25.7
320.13141	6.9
338.14325	5.2
371.13705	14.6
372.14346	4.3
395.16464	25.9
404.16983	3.6
413.17413	9.5
417.38074	2.4
431.17432	9.2
431.23059	5.4
432.16522	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	431.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49980	1.3
53.03946	3.0
55.01868	2.5
55.05511	9.4
56.96574	1.8
57.03444	10.8
57.07079	3.3
59.81162	1.4
67.05173	1.7
67.05508	23.7
67.08645	1.2
69.03426	1.7
69.07082	8.9
71.04980	3.9
71.08622	1.5
71.27515	1.0
71.57529	1.7
72.08145	4.1
79.05058	2.0
79.05495	26.0
81.03420	1.7
81.07062	32.0
81.07524	2.3
83.04916	1.4
83.08616	4.9
84.08145	3.7
85.06543	3.2
85.08483	1.5
86.06052	1.8
87.04469	14.6
88.04805	2.4
91.05485	38.6
93.07046	40.0
95.04961	3.2
95.08604	22.6
97.06534	3.1
97.10156	1.4
98.31015	1.4
98.98473	80.5
99.08105	1.7
103.05482	3.2
105.07034	40.1
107.08604	23.1
109.06531	1.9
109.10143	9.0
111.08047	2.1
112.11256	3.9
113.11534	1.6
116.54332	1.4
117.06997	9.8
118.06523	1.9
118.39435	1.4
119.07788	2.6
119.08591	40.4
121.06519	16.6
121.10159	16.6
122.06871	3.5
123.11712	2.6
129.05482	5.8
129.07018	8.2
131.08563	17.7
133.10149	33.8
135.08072	2.4
135.11694	14.5
137.09651	1.7
143.08513	8.1
144.08122	1.5
145.10130	15.5
145.40602	1.4
146.06042	6.5
147.08044	1.8
147.11694	29.7
149.13258	10.4
151.07423	1.3
155.01051	3.8
157.10155	8.8
159.11697	16.0
161.09595	2.6
161.13269	37.9
163.14856	5.6
164.07071	16.3
165.07445	7.7
171.11665	12.3
173.02107	17.2
173.13274	10.4
175.11327	2.0
175.14844	24.1
177.12830	2.1
185.13219	13.1
187.14839	4.5
188.07077	8.3
189.12759	2.3
195.48392	1.3
199.14832	5.4
201.16252	1.6
203.14227	1.4
213.16394	2.2
215.17961	4.9
217.19438	7.4
231.21034	7.4
241.19518	47.1
243.21135	3.1
250.10753	16.8
251.11082	20.4
259.20584	79.7
269.17358	1.8
275.20093	1.5
277.21689	1.7
315.23212	4.9
331.17505	4.9
332.17932	1.6
333.24243	100.0
334.24728	1.3
349.18594	4.3
351.13541	1.8
354.67380	2.1
357.15289	3.6
413.20807	4.8
430.71692	3.8
431.21841	8.8
431.27182	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	431.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.03947	1.6
55.01859	0.3
55.05501	0.5
65.03938	0.3
67.05504	1.5
69.07050	0.3
71.04989	0.9
72.08126	0.2
77.03929	0.5
79.05489	1.7
81.03396	0.2
81.07073	1.0
83.04980	0.6
83.08617	0.4
84.78808	0.2
85.06540	0.3
87.04465	0.4
91.05482	7.5
93.07048	11.0
95.04981	1.6
95.08597	0.7
97.06526	0.4
97.10171	0.3
98.21462	0.5
103.05469	7.6
103.12478	0.2
105.04518	0.7
105.07036	0.8
107.04951	0.3
107.07975	0.2
107.08583	1.1
109.10166	0.3
111.08102	0.2
117.07045	0.3
119.08591	0.7
121.06509	100.0
122.06806	0.8
123.08057	0.3
129.07082	0.2
130.36974	0.2
131.08566	0.5
133.06442	0.3
133.10135	0.4
135.08075	0.3
135.11740	0.2
137.09726	0.2
145.10118	0.3
149.13382	0.2
159.11658	0.2
161.13147	0.2
164.07124	0.3
165.07478	0.4
189.11253	0.3
250.10703	0.5
251.11108	0.8
257.19046	0.2
275.20151	1.1
293.21066	0.9
311.22296	0.4
312.22278	0.2
336.15213	0.2
395.25732	0.4
408.14941	0.2
411.50284	0.2
413.26776	0.6
431.27380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77309	0.5
52.57440	0.4
53.03941	0.5
55.01858	0.5
57.03421	0.5
58.42328	0.4
59.59946	0.5
61.02918	0.6
64.79601	0.5
69.03433	11.0
69.07049	0.7
70.06593	2.0
71.58628	0.7
72.08161	0.7
78.03474	0.6
78.04728	0.5
80.05016	2.6
81.03417	1.0
81.07036	0.7
84.04545	0.8
84.08139	0.8
85.02906	3.8
85.06554	0.9
86.09720	2.0
87.04462	1.5
89.03916	4.9
91.05476	1.8
93.07056	1.0
96.04500	1.4
97.02906	4.2
98.12597	0.4
109.02838	0.5
112.07597	0.9
115.03975	0.7
117.03385	17.4
118.06555	0.6
119.04947	0.7
121.06544	0.6
123.04449	0.5
124.03960	100.0
127.03908	0.9
128.33586	0.4
131.04932	0.9
134.03659	0.9
135.04424	1.1
135.08052	2.5
136.07501	0.7
136.08414	1.5
137.05980	2.0
145.02853	46.7
146.03128	0.5
147.04388	1.5
149.05992	5.6
155.07101	0.5
162.03163	0.5
163.03899	1.6
175.11214	0.8
176.11591	1.3
177.05482	67.2
186.05484	0.8
194.08205	0.7
195.06581	1.3
233.15454	0.6
234.15686	1.6
252.16840	1.3
270.07489	0.6
270.17740	1.1
286.10675	0.7
298.13153	0.5
309.09705	63.7
310.10043	0.7
404.17151	1.8
432.16605	2.0
432.23111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
53.03962	3.9
55.51205	0.5
65.03944	0.7
65.91471	0.6
69.82473	3.7
72.47923	0.6
75.23082	0.7
77.03923	1.7
79.05495	1.1
81.03375	0.8
87.07681	0.6
91.05486	14.9
92.05041	0.6
93.07053	18.7
95.04966	4.5
103.05483	16.8
104.04999	1.5
105.04517	2.1
106.06569	1.3
117.05551	0.7
121.06515	100.0
122.06895	0.8
132.04440	2.3
133.05206	0.7
134.06013	2.8
134.10841	0.6
144.04454	2.7
160.03947	13.3
162.05519	10.1
164.07097	1.1
166.08688	0.9
174.05569	0.7
176.07100	4.3
178.04999	6.5
188.03491	1.2
192.06566	39.2
194.08141	50.9
202.04959	1.4
206.04474	2.2
208.09654	1.5
220.06050	19.7
236.09227	6.0
238.07108	13.1
252.08730	7.8
268.11829	2.4
280.08182	56.7
281.08560	0.7
294.09720	8.4
301.85907	0.7
312.10764	7.3
432.16574	75.3
433.16855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1655
Annotation	Glycocitrine V
Peak:m/z	Relative Intensity
51.02371	0.6
53.03959	3.2
55.01867	0.8
64.84733	0.4
66.41685	0.4
70.12811	1.5
73.02905	1.9
77.03940	0.8
79.05492	2.4
86.67419	0.5
91.05482	7.3
93.07052	10.5
95.04955	1.5
98.21161	1.2
103.05474	9.2
105.04501	1.2
107.04956	0.6
117.05771	0.9
118.06535	2.1
121.06514	46.6
130.06525	2.6
132.04468	0.9
134.09607	0.8
144.04454	2.0
146.06027	7.3
149.02547	0.5
159.54692	0.5
162.05507	1.3
164.07063	1.2
172.03952	0.7
176.07083	1.5
178.08647	9.8
180.06732	0.4
188.07019	3.6
190.04982	0.6
190.08597	3.4
192.06573	0.6
196.09717	0.6
204.06628	1.5
206.08136	2.0
208.09706	0.5
216.06560	5.1
218.08130	5.8
220.09702	8.6
222.07730	0.6
222.11240	4.5
224.09131	0.5
234.07611	7.7
236.09207	2.3
238.07211	0.5
244.06171	2.2
248.06557	0.5
248.09200	13.1
250.10765	43.2
251.11200	0.7
252.08665	2.9
262.07083	3.0
266.10260	2.2
268.11795	6.5
276.08691	6.3
276.56232	0.4
280.08139	1.1
280.11749	0.5
294.09726	37.3
312.10770	1.3
340.12064	0.6
358.12796	0.5
372.14435	6.7
400.13898	2.7
404.16980	3.8
414.15466	1.2
432.16568	100.0
433.16766	2.2
438.35376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03950	3.3
55.01866	0.7
64.08791	0.4
64.86729	0.5
68.78612	0.4
71.11194	1.0
77.03915	0.5
79.05505	0.6
81.03423	0.8
81.07057	1.7
82.93073	0.4
85.02891	0.6
91.05492	11.8
93.07052	13.9
95.04980	2.9
97.02895	0.8
103.05476	12.1
105.04517	1.3
105.07035	0.6
117.05773	1.6
118.06549	3.0
119.97912	0.5
121.06519	55.0
122.06850	0.7
127.07584	0.9
134.09662	0.6
144.04451	1.3
144.08092	1.2
144.16362	0.5
146.06030	10.3
152.07133	0.5
162.05545	1.2
162.91078	0.5
164.07071	1.1
178.08655	12.6
188.07095	2.0
190.05037	0.7
190.08652	2.7
192.06615	1.0
204.10193	0.9
216.06607	4.4
218.08144	7.7
234.07617	8.4
235.13116	0.5
236.09229	2.1
244.06114	2.6
248.09207	13.9
250.10771	59.7
252.08699	1.4
262.07117	3.6
268.11801	7.8
271.06085	0.8
276.08673	8.3
280.08255	1.3
294.09729	49.9
295.10065	0.9
312.10834	1.3
328.82367	0.4
414.15515	1.4
432.16586	100.0
433.16681	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	432.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03959	2.9
65.03927	0.4
69.42926	2.4
69.43333	0.7
77.03941	0.9
89.31582	0.4
91.05491	12.6
93.07054	15.3
95.04973	3.4
103.05479	13.5
104.04998	1.1
105.04526	1.3
117.05786	1.7
118.06516	0.5
121.06519	68.2
122.06075	0.6
122.06823	0.8
130.06544	6.8
131.07355	0.5
132.04465	0.6
135.37741	0.4
146.06038	0.5
148.07573	0.6
149.02351	0.6
150.05562	0.7
158.06068	0.6
174.05528	4.2
175.06262	0.7
176.07085	9.8
178.05009	1.7
178.08589	1.9
191.09474	1.4
192.06564	0.7
192.94376	0.4
202.05022	9.9
204.06573	22.7
218.08099	0.6
220.06059	9.5
222.07651	0.9
230.04491	5.8
234.07640	23.5
235.08014	0.5
236.09192	86.0
237.09552	1.5
248.05571	5.6
252.08626	1.0
260.19113	0.4
262.07144	15.8
268.11707	2.5
280.08185	93.3
281.08527	1.5
294.09784	4.2
312.10706	1.2
326.76413	0.4
400.13852	3.0
432.16519	100.0
433.16898	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	432.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65262	1.8
78.75714	0.4
82.62708	0.3
91.05474	2.4
93.07043	2.2
95.04972	0.5
100.35754	0.4
103.05449	1.8
104.05035	0.4
117.05770	0.9
121.06514	17.1
122.06904	0.3
130.06566	0.5
148.07607	0.5
150.05531	0.7
155.05484	0.4
164.07079	10.9
164.09273	0.4
176.07066	2.9
177.07814	0.4
190.08647	25.8
201.47586	0.4
204.06563	11.7
208.06075	2.1
208.09813	0.4
222.07626	24.6
234.07637	2.7
238.04665	0.4
238.07101	9.2
252.08687	100.0
253.09113	1.5
271.09335	1.1
280.08127	0.5
312.10580	0.5
358.12836	14.3
390.15479	0.4
432.16327	0.9
433.14600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
55.01859	0.8
62.86294	0.3
65.11143	0.4
69.63212	1.9
73.02921	2.5
77.03934	0.8
79.05489	2.7
84.04465	0.4
84.08170	0.5
91.05489	7.4
93.07052	8.7
95.04979	1.7
103.05482	7.8
105.04501	1.0
107.04975	0.8
117.05779	0.6
118.06533	1.6
121.06520	40.4
130.06531	2.6
132.04419	0.7
134.09634	0.7
144.04468	1.9
146.06018	7.1
148.03958	0.5
160.07591	0.5
162.05489	1.4
164.07143	1.1
172.03926	0.8
176.07101	1.5
178.08636	8.6
178.36801	0.4
188.07079	4.0
190.04993	0.9
190.08652	3.9
192.06685	0.4
204.06575	0.9
206.08083	1.9
216.06586	5.3
218.08162	6.4
219.37218	0.4
220.09729	9.1
222.07693	0.6
222.11226	4.9
224.09167	0.6
234.07623	7.0
236.09244	1.8
244.06096	1.5
248.09207	15.5
250.10780	40.1
252.08751	2.9
262.07172	2.1
266.10126	2.7
268.11823	6.7
276.08691	6.1
280.08273	0.7
280.11795	0.7
294.09738	37.0
295.10025	0.6
312.10767	1.9
318.42410	0.3
344.14951	0.6
372.14471	7.6
382.51157	0.4
400.14026	3.0
404.17169	5.2
414.15594	1.7
432.16592	100.0
433.16812	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2021
Annotation	9a-O-Methylstemoenonine
Peak:m/z	Relative Intensity
55.05502	0.4
61.50642	0.3
67.05491	0.6
68.73247	0.3
69.03430	0.5
69.07074	0.6
71.04968	0.3
71.56647	0.4
72.08169	0.4
79.05488	0.8
81.07043	1.1
87.04473	21.8
91.05494	0.6
93.07035	1.1
95.04984	0.5
95.08592	0.9
98.98466	0.4
104.04961	0.5
105.07036	0.7
106.06546	1.1
118.06549	0.9
119.08575	0.7
120.08117	0.6
121.06498	2.2
122.06869	0.5
132.04459	0.4
133.10159	0.4
134.06033	4.7
138.05515	0.7
146.06010	0.8
148.07643	0.3
150.05482	0.4
151.06311	0.4
158.09715	0.3
158.94487	0.3
162.05525	0.7
163.06311	0.6
163.07571	0.4
164.05705	0.4
164.07080	7.1
165.07822	1.2
174.05495	0.5
176.07086	1.3
178.08710	0.4
188.07072	0.4
190.05034	2.3
190.08604	0.5
191.05827	0.5
192.06563	0.7
200.04662	0.6
204.06569	3.8
206.08136	7.9
208.05966	0.8
218.04497	2.8
218.08102	0.5
220.06168	1.2
220.09662	0.7
222.07640	3.3
228.10155	0.3
228.13704	0.4
232.06087	0.6
234.07622	1.5
236.05539	1.4
246.07755	1.4
248.09396	0.4
250.07124	31.5
251.11259	0.5
252.08696	2.0
252.11234	0.5
276.08740	0.3
292.11853	0.7
296.12885	1.8
300.15903	0.7
302.17642	0.4
311.78403	0.3
314.13950	4.8
320.11414	1.3
328.15472	1.2
332.14978	3.6
336.10785	11.6
346.16510	7.6
354.03058	0.3
432.20215	100.0
433.20599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.202
Annotation	9a-O-Methylstemoenonine
Peak:m/z	Relative Intensity
55.05502	0.4
57.03424	0.2
59.32291	0.2
63.25274	0.2
67.05488	0.6
69.03429	0.3
69.07047	0.5
70.28503	0.7
79.05465	0.9
81.07065	1.1
83.08563	0.2
87.04476	22.0
91.05464	0.8
93.07051	0.6
95.04966	0.3
95.08589	0.8
97.16161	0.2
98.97565	0.3
98.98479	0.3
104.04969	0.3
105.06980	0.7
106.06581	1.1
107.08588	0.4
117.05723	0.3
118.06567	1.1
118.07274	0.3
119.08562	0.9
120.08138	1.1
121.06481	0.8
121.10143	0.3
127.03863	0.3
132.04443	0.3
132.08125	0.3
134.06027	5.0
135.06761	0.3
135.11676	0.4
137.04730	0.3
137.09549	0.3
138.05470	0.5
144.08023	0.4
145.10028	0.3
146.06007	0.5
148.07515	0.3
150.05475	0.3
151.06281	0.5
159.06804	0.3
162.05476	0.6
163.03932	0.4
163.06273	0.3
164.07079	7.7
165.07834	0.8
174.05489	0.7
176.07097	1.3
178.08618	0.4
184.07343	0.3
188.07068	0.4
190.05028	3.0
190.08615	0.7
192.06615	0.7
200.04593	0.5
202.05026	0.4
202.08585	0.4
204.06610	2.4
206.08147	7.1
206.10091	0.3
208.06053	1.0
216.06599	0.4
217.19324	0.2
218.04449	2.5
218.08163	0.5
220.06134	1.1
220.09656	0.4
222.07658	3.3
226.08667	0.3
228.13887	0.5
232.06068	1.1
232.09679	0.3
234.07649	1.8
236.05521	1.8
243.21387	0.3
246.07642	1.1
250.07129	31.2
251.11267	0.7
252.08623	1.1
252.11079	0.3
268.13324	0.9
270.15054	0.3
286.14386	0.4
292.11865	0.8
296.12851	1.8
300.15881	0.6
314.13879	4.9
320.11249	0.6
328.15390	1.8
332.15015	3.9
336.10800	10.6
346.16522	7.8
349.16858	0.4
362.12274	0.4
388.01303	0.3
399.13647	0.3
432.20227	100.0
433.20587	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Vitexin
Peak:m/z	Relative Intensity
51.79790	0.6
52.36470	0.6
55.01871	0.6
57.03415	0.5
65.03946	0.6
68.99787	0.8
69.03439	0.5
71.28281	1.2
72.04142	0.6
74.37284	0.6
81.03413	1.3
85.02891	2.4
91.05482	1.9
92.01584	0.5
97.02887	1.2
107.47873	0.6
109.02867	1.3
109.10146	0.7
119.04940	3.5
120.85841	0.6
121.02876	7.9
123.00813	0.7
135.04500	0.6
137.06001	2.8
141.01831	1.1
145.02827	3.0
147.04341	0.8
149.02370	1.8
153.01778	0.6
163.03891	4.1
165.01854	13.5
165.05495	1.1
167.03432	1.8
177.01852	1.3
177.05586	0.5
181.04912	0.6
183.02924	2.8
187.03903	1.6
189.01776	0.7
191.03386	1.1
193.51132	0.5
195.02908	1.7
198.58643	0.5
205.04999	0.9
210.85928	0.5
213.05627	0.7
229.05104	1.0
231.02983	1.2
239.07074	0.8
243.02876	2.0
249.88992	0.5
255.06525	1.1
256.07419	0.9
261.03964	0.7
267.06500	8.0
270.05103	2.7
271.06042	6.6
279.06458	2.1
281.08075	6.7
283.06036	100.0
284.06781	11.9
285.07626	1.2
295.06094	11.0
295.09604	1.9
297.04276	1.1
297.07608	3.2
305.08038	2.4
307.06122	1.6
308.06732	1.8
309.04037	1.5
309.07553	23.7
311.05438	1.3
313.07077	70.7
321.07535	2.8
323.09149	17.1
325.07016	1.1
333.07782	2.6
335.05548	0.7
337.07077	36.7
338.07535	0.7
343.08185	0.9
349.07092	10.8
351.08612	2.5
361.07053	9.4
367.08176	25.2
379.08163	20.9
397.09213	22.1
415.10248	17.3
430.95697	0.6
433.11075	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	433.1134
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
66.99953	0.1
67.01835	0.4
68.99791	0.3
69.50536	0.9
69.50910	0.1
69.56250	0.1
91.05469	0.3
91.58320	0.1
111.00764	0.2
119.04959	2.3
121.02862	0.6
129.01764	0.2
145.02888	0.8
153.01834	5.3
162.39995	0.2
163.03906	0.3
171.02905	0.2
173.42044	0.1
187.03894	0.2
225.05482	0.4
225.08043	0.1
229.05069	0.3
239.57802	0.1
243.06592	0.3
263.31888	0.1
271.06021	100.0
272.06351	1.4
332.48822	0.1
433.11340	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	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03942	0.5
53.19664	0.2
55.01865	0.4
59.25399	0.2
61.02926	0.4
64.06615	0.2
67.01867	0.4
68.98385	0.2
68.99809	0.5
69.03426	1.0
69.07062	0.3
69.43901	1.8
79.05486	0.7
81.03411	1.0
83.04961	0.3
83.10569	0.2
85.02910	2.9
91.05480	1.0
91.45361	0.2
93.07042	0.7
95.04971	0.4
97.02898	1.9
99.04414	0.3
105.07021	0.5
105.34112	0.2
107.08598	3.0
109.02885	1.6
109.10132	0.4
119.04948	2.2
119.08558	0.3
121.02892	1.0
121.06503	0.8
127.03916	1.5
131.08543	0.5
135.04366	0.2
135.08063	8.8
136.07492	0.3
137.05978	0.5
141.30437	0.2
145.02855	0.3
145.04977	2.1
147.04532	0.2
151.03886	0.4
153.01839	4.6
153.09125	1.2
163.03914	0.7
163.07579	0.4
164.07150	0.4
165.01817	0.4
165.05556	0.3
167.07077	0.4
171.02863	0.3
181.08575	1.8
199.09662	2.0
202.06084	0.2
203.07115	0.3
217.15871	0.3
229.05037	0.4
267.06390	0.3
271.06021	100.0
272.06244	1.3
283.06042	3.0
284.06891	0.8
287.05499	0.4
295.06021	0.4
307.11761	0.8
309.07706	0.5
313.07108	2.5
323.09146	0.6
325.12793	0.5
337.06970	1.2
345.20020	0.2
367.08173	0.5
379.08127	0.6
397.09140	0.7
415.10114	0.6
433.10849	1.2
433.16483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1261
Annotation	Torin 2
Peak:m/z	Relative Intensity
52.92253	1.9
56.96558	2.8
57.03429	2.8
59.34014	1.7
69.07040	1.9
70.02473	9.5
81.07051	4.9
88.90160	2.2
91.05478	5.6
92.79703	1.8
93.07049	4.4
95.08591	3.6
96.31874	1.9
98.21411	3.3
98.97601	5.5
99.76386	1.8
102.82513	2.0
105.07020	2.4
109.06505	7.3
109.10167	3.3
110.97582	2.1
119.04941	4.4
119.08585	4.0
121.06483	5.5
121.10180	3.1
128.98596	2.5
131.08546	2.8
133.10149	2.2
137.05992	10.8
145.10162	2.5
147.04404	5.3
147.11671	3.4
151.07593	3.2
153.01828	4.8
161.05936	2.9
164.07059	3.0
165.05539	3.7
170.99702	2.8
181.04985	2.8
189.00740	2.5
226.18610	2.1
237.02829	3.2
252.08652	2.3
271.06030	100.0
401.11594	3.3
403.20349	2.6
433.12399	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	433.1264
Annotation	Torin 2
Peak:m/z	Relative Intensity
50.91789	2.5
53.05333	2.9
55.18947	2.7
60.34327	2.8
66.56626	3.0
69.03429	3.7
69.27558	3.1
69.69083	18.8
93.07055	4.0
95.08624	4.1
97.02923	3.3
121.06498	21.5
122.06850	7.6
140.70586	3.0
164.07129	4.9
165.07472	5.4
172.98708	3.1
190.08665	12.4
191.08969	6.4
193.20058	3.1
201.29189	3.5
204.06548	5.5
205.06960	4.6
222.07605	8.8
223.07948	6.0
239.01588	3.3
252.08716	30.9
253.09055	38.1
280.08041	6.3
359.13135	10.2
401.09659	4.0
433.12549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10477	4.6
55.05496	4.6
67.05507	5.3
69.03428	6.8
69.80409	4.2
70.88164	8.3
76.61543	4.4
81.07050	5.2
91.05502	12.6
93.07046	7.5
95.04970	4.6
95.08621	8.1
105.07020	7.4
107.08577	6.9
112.07949	4.1
119.08574	9.9
121.06510	36.1
121.10125	5.4
122.06860	6.1
131.08606	9.7
133.10159	6.5
143.08548	5.5
145.10162	9.5
157.10152	7.5
159.11679	6.6
171.11667	4.4
183.11752	6.8
185.12994	4.2
199.14731	5.8
213.16180	5.4
251.11243	5.9
253.09001	8.5
279.21237	5.6
281.68344	4.7
387.14154	12.6
401.11722	5.6
415.13678	20.8
415.29471	4.9
433.13828	100.0
433.31223	24.2
434.12790	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	433.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04453	0.4
52.16345	0.4
54.63155	0.4
57.03419	0.6
64.28839	0.4
66.55585	0.4
69.03419	0.7
70.06572	1.0
71.39314	0.5
71.39674	0.8
72.08169	2.1
73.02884	0.5
85.02878	1.4
86.09664	1.2
91.05443	0.5
97.02876	0.9
98.97575	0.8
109.02863	0.4
113.05995	1.0
117.36002	0.5
121.06491	1.1
127.03912	0.5
129.06998	0.4
131.04939	0.5
134.84837	0.6
135.04457	0.5
137.05940	1.1
147.04411	0.5
155.47910	0.5
157.57809	0.5
163.03937	0.7
175.03690	5.2
187.14406	0.5
201.12097	0.6
237.02669	0.7
253.18095	0.4
301.12488	1.9
400.66135	0.5
405.13452	0.6
409.34204	0.4
433.15231	100.0
434.15335	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1474
Annotation	1178-24-1
Peak:m/z	Relative Intensity
55.18060	1.1
55.29855	1.2
64.76666	1.3
67.05536	1.6
69.73024	6.4
69.73430	2.6
76.69266	1.2
79.05500	2.1
91.05487	1.9
92.13500	1.2
93.07050	1.7
95.08634	1.7
105.07035	1.7
107.08595	2.2
109.06530	2.9
133.10179	1.4
137.06007	4.4
145.10220	1.8
145.91170	1.3
153.01833	3.4
164.07234	1.4
165.05489	3.5
181.05026	4.7
235.09624	2.0
265.06906	1.7
271.06042	63.8
272.06384	1.6
287.05594	1.8
324.16855	1.2
341.10028	2.0
369.09360	2.8
373.12650	16.2
401.12064	38.5
401.17078	2.2
433.14810	100.0
433.30862	2.8
434.14859	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1471
Annotation	1178-24-1
Peak:m/z	Relative Intensity
57.03424	0.6
69.03428	1.0
70.06563	0.5
70.58192	1.4
72.08133	1.4
75.14793	0.4
75.98259	0.4
76.99909	0.4
81.70126	0.4
82.28349	0.4
85.02865	1.5
86.09652	1.1
97.02862	1.1
98.97531	0.8
113.05968	0.8
121.06469	1.7
127.03887	0.7
131.04910	0.9
137.05956	1.3
146.65460	0.5
163.03815	0.7
168.67650	0.4
175.03665	5.2
236.48914	0.4
245.10422	0.5
266.26950	0.5
301.12424	1.9
358.60101	0.5
405.13574	0.6
433.15097	100.0
434.15109	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1474
Annotation	3,7-Dihydroxy-2,4-dimethoxyphenanthrene 3-O-glucoside
Peak:m/z	Relative Intensity
53.03942	0.9
56.96577	1.1
61.24208	0.7
69.03422	0.9
69.07061	1.1
69.85767	0.6
70.34792	1.7
79.05523	0.8
81.07063	1.9
85.02873	1.4
87.04488	1.2
91.05475	2.4
93.07040	3.0
94.07368	0.7
95.04982	0.9
95.08603	1.5
97.02885	3.0
97.06509	0.7
98.20934	1.2
99.04454	1.6
105.07043	1.3
107.08620	1.0
109.02870	0.9
119.08591	1.0
121.06495	7.8
122.06837	2.4
127.03915	1.0
133.10135	0.8
143.04669	1.0
145.06500	0.7
147.03239	0.7
150.05562	0.8
157.10196	0.7
159.08029	0.7
164.07111	2.5
165.07405	2.3
173.77957	0.6
179.03101	0.7
185.04202	9.2
190.08600	3.2
191.08975	2.9
204.06612	0.9
205.06911	0.9
208.14224	0.7
222.07655	2.7
223.07997	2.1
227.09050	1.1
227.10768	0.9
239.07410	1.6
245.10168	1.0
250.10829	0.8
251.11102	1.8
252.08733	11.0
252.11385	2.1
253.09045	13.5
253.11572	1.1
271.09421	81.4
272.09857	0.7
276.50992	0.7
289.09183	1.4
307.10257	1.0
359.13208	3.0
383.11069	1.1
387.14160	11.9
401.12033	1.0
415.13718	18.1
415.18787	0.9
433.14719	100.0
434.15216	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1472
Annotation	3,7-Dihydroxy-2,4-dimethoxyphenanthrene 3-O-glucoside
Peak:m/z	Relative Intensity
51.13010	0.9
53.81342	0.9
64.61465	1.0
67.05517	1.4
69.03451	0.9
79.05492	1.6
81.07059	2.8
85.02915	2.0
87.04463	6.3
88.04804	2.0
89.04937	1.8
91.05492	2.2
91.27813	0.9
93.07034	1.8
95.04937	1.3
95.08631	1.7
104.01166	1.2
105.07033	1.9
119.08595	1.0
121.06522	9.2
122.06831	3.6
130.95419	1.1
133.10138	1.3
157.90746	1.2
163.07579	1.0
164.07082	8.2
165.07420	6.3
166.07707	3.2
167.07835	0.9
175.21848	1.0
185.04237	15.9
190.08652	3.7
191.08968	3.4
203.05264	1.0
209.02583	1.1
222.07599	2.5
223.07993	2.4
237.09671	1.0
238.07208	1.8
239.07362	2.3
250.10797	2.2
251.11133	7.1
252.08728	11.1
252.11369	7.7
253.09048	12.5
253.11644	5.8
271.09436	100.0
272.09711	1.3
289.09424	1.2
359.13235	3.6
364.15125	1.1
387.14215	5.4
387.19366	2.0
415.13660	8.3
415.19040	2.1
433.14767	84.5
433.23853	7.3
434.15433	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
56.96549	0.5
57.02636	0.4
65.03937	2.3
69.07040	0.5
72.50815	0.4
79.05501	0.6
81.07058	0.7
85.02905	0.5
89.03894	0.5
91.05485	33.5
93.07050	1.1
95.04960	3.7
95.08570	0.7
98.97578	0.5
103.05436	0.9
105.07040	0.6
107.08603	0.5
109.02911	0.6
109.06522	0.9
117.03295	0.4
117.07027	0.4
119.04942	24.3
121.02854	1.3
122.96056	0.5
123.08109	0.8
125.67870	0.4
135.04442	0.5
136.05200	2.4
137.05966	3.4
149.02394	0.9
149.05981	0.9
150.27162	0.5
151.07545	100.0
152.07870	1.3
153.01823	0.7
153.05428	0.6
161.06053	0.9
163.03972	0.6
165.05475	0.8
167.03458	0.8
177.05367	0.4
179.07028	0.6
181.04967	6.5
184.25607	0.4
191.03444	1.2
193.08632	1.8
219.01927	0.6
223.06071	3.8
271.06012	12.6
359.11304	1.5
385.11215	2.8
391.00732	0.5
394.11646	1.0
401.12585	0.5
403.13095	0.7
405.62881	0.8
433.14578	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80982	0.6
57.69701	0.6
60.25211	0.5
65.03928	1.6
69.33346	4.2
75.39018	0.5
91.05486	34.4
95.04974	3.2
98.20775	0.9
109.06536	1.2
119.04943	22.5
121.02883	0.7
123.08057	0.7
135.04416	0.6
136.05205	3.8
137.05975	3.7
149.02295	1.1
149.05981	0.7
151.07550	100.0
152.07864	0.7
153.05396	0.6
160.80994	0.5
161.06064	0.9
165.05542	1.0
167.03384	0.8
181.04941	6.9
188.18147	0.5
189.09116	0.6
191.03456	0.8
193.08534	1.6
211.36086	0.5
223.06021	3.6
240.87584	0.5
271.06046	12.3
271.08542	0.6
359.11441	0.6
385.11276	2.2
394.11789	1.7
403.13361	0.6
411.13028	0.6
430.19833	0.6
433.14764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
56.96291	2.3
56.96570	29.9
58.91075	1.3
67.05517	2.8
69.07072	7.5
71.58906	2.1
71.95278	1.7
79.05509	3.1
81.07059	7.5
84.96047	5.7
91.05495	2.5
91.47869	1.4
93.07061	4.3
95.08621	7.3
97.02908	2.2
98.97012	2.4
98.97599	22.9
105.07017	3.7
107.08606	3.3
109.06508	1.5
109.10155	3.5
116.98615	11.4
119.08609	6.1
121.10152	3.5
124.99129	2.7
127.00710	2.9
131.08562	3.3
133.10143	4.3
134.99687	3.3
135.11694	1.6
139.00748	2.5
140.00232	2.9
143.00133	4.2
143.08536	1.8
145.01782	2.0
145.10196	2.9
147.03328	1.9
147.04393	1.8
147.11719	3.1
151.07567	4.4
155.08664	1.6
157.01715	2.1
157.10173	2.8
159.11766	2.8
161.13316	1.7
165.09149	1.6
171.11787	3.1
173.13341	4.2
175.14983	1.8
183.03419	2.1
183.11774	3.1
189.16470	1.8
193.12325	1.7
197.13280	3.4
199.14903	2.5
219.03453	1.7
263.17935	2.1
271.06049	31.1
275.13449	2.2
293.14313	1.9
303.12674	3.9
305.14294	2.3
316.01846	1.7
319.24640	2.0
321.13785	15.7
323.15213	1.8
325.14868	4.9
329.14377	1.7
331.15924	8.0
331.24255	2.0
333.17529	7.1
335.15329	2.0
337.17105	2.2
339.14850	23.5
341.16864	1.6
341.21103	3.1
343.15826	33.5
347.15378	13.0
349.16977	16.1
349.21054	2.9
351.18445	15.3
355.15894	6.4
361.16870	56.7
365.16455	9.7
366.17468	6.0
367.18106	7.3
370.16916	3.4
372.18478	2.1
373.16949	18.9
374.20197	3.4
377.24649	2.9
379.18036	13.8
384.18616	10.0
385.17020	6.3
387.30441	2.4
391.17920	13.3
433.19040	100.0
433.31088	17.6
433.36832	12.7
434.19336	3.3
451.19876	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	433.2353
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03956	2.8
54.46878	1.8
55.05512	12.7
57.03435	7.0
65.03954	2.7
65.85933	1.8
67.05508	46.9
69.07078	12.1
71.04954	2.3
71.59103	2.4
73.92241	2.1
79.05504	30.5
79.05984	2.7
81.07063	47.2
83.08618	6.8
86.08679	2.0
91.05486	20.4
93.07043	45.0
95.08611	39.3
97.10182	4.4
98.98473	100.0
98.99123	4.9
105.07034	18.3
107.04914	2.0
107.08598	33.8
109.10136	18.0
111.08075	2.8
113.09675	2.1
117.07011	7.5
117.92538	1.9
119.08580	13.9
121.10156	24.0
123.08067	2.0
123.11697	6.2
131.08565	12.8
133.10130	14.9
135.08046	2.6
135.11713	19.4
137.13202	3.6
145.10153	14.1
147.11662	11.3
149.13269	16.2
155.01050	29.7
159.11720	10.0
161.13263	9.1
163.14771	11.1
172.55870	2.1
173.02084	15.6
173.13333	9.4
175.14906	3.2
177.16414	4.5
187.14751	5.0
201.16435	2.6
215.17892	2.8
233.22595	2.6
243.21107	21.8
261.22141	73.4
271.06039	39.5
287.15079	2.0
317.24823	9.7
335.25790	49.7
359.73691	2.4
415.22571	11.8
433.29391	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.5
55.05519	9.8
55.22192	1.1
57.03443	9.2
57.07071	3.5
59.66395	1.0
65.03933	1.6
67.05510	43.6
69.07069	8.5
69.60977	4.3
69.61395	3.1
71.04993	1.7
79.05067	2.1
79.05497	27.1
81.07063	49.5
83.05022	1.2
83.08621	5.4
91.05482	12.5
92.62758	1.2
93.07046	34.5
95.04902	1.7
95.08613	39.1
97.06548	2.2
97.10155	2.0
98.98475	66.5
105.07044	12.5
107.08600	24.4
109.06425	1.4
109.10157	21.2
111.08060	1.8
117.07027	3.9
118.78987	1.1
119.08591	12.2
121.10162	20.6
123.11710	7.7
131.08578	9.3
133.10124	9.1
135.11694	15.3
137.13271	3.3
145.10152	9.2
147.11685	5.2
149.13257	10.9
151.14799	1.6
155.01047	9.5
159.11713	6.4
159.75540	1.2
161.13200	5.5
163.14851	6.2
173.02100	11.8
173.13272	7.0
175.14934	2.6
177.16389	2.0
187.14832	4.6
213.00150	1.2
215.17957	1.8
233.22641	2.7
243.21092	13.6
261.22137	44.3
271.06027	6.3
279.23242	2.8
317.24777	5.5
320.98862	1.3
335.25812	100.0
415.22403	3.3
433.23352	1.9
433.36792	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.05516	10.3
57.03434	9.3
67.05176	2.4
67.05511	38.5
69.07064	8.2
69.77698	4.9
69.78130	8.3
70.55139	2.0
71.04988	2.9
71.08630	2.5
77.03877	2.4
79.05494	31.0
81.07060	52.4
83.08619	5.6
84.81766	2.0
86.09742	2.2
91.05490	17.4
93.07055	38.9
95.05011	2.9
95.08617	49.1
97.06532	3.4
97.10187	3.0
98.98475	100.0
105.07046	18.5
107.08601	30.7
107.25835	2.1
109.06540	2.1
109.10173	26.5
117.07008	6.3
119.08598	21.0
120.54513	1.8
121.06525	4.7
121.10146	23.6
123.11688	7.4
123.49450	2.3
131.08595	17.9
133.10114	11.3
135.11723	18.7
142.07758	2.3
145.10124	11.7
147.11664	10.2
149.09592	2.6
149.13287	13.2
151.11189	2.5
155.01031	25.9
159.11687	12.0
161.13280	7.3
163.11203	2.1
163.14824	9.2
169.40231	2.3
173.02132	15.8
173.13260	11.1
175.14809	3.3
177.12747	3.1
177.16377	4.5
187.14899	6.7
196.66008	2.3
204.25124	2.0
204.29863	2.0
233.22568	5.8
243.21101	19.3
243.97774	2.1
261.22168	66.7
263.82227	2.9
271.05878	2.0
278.59195	2.1
293.95007	2.2
317.24786	8.7
335.25830	56.8
415.22455	14.0
433.23260	8.4
433.28992	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	433.2353
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03939	2.5
54.92220	1.3
55.05516	11.1
57.03441	10.2
57.07070	2.4
65.03951	1.3
67.05512	50.2
69.07079	10.6
71.48607	3.0
79.05054	2.2
79.05497	28.2
81.07063	52.5
83.08617	4.2
91.05484	15.1
92.36774	1.3
93.06468	2.2
93.07049	38.6
95.04963	2.0
95.08607	43.6
97.06503	2.0
97.10130	1.5
98.98473	66.5
105.07037	11.8
107.08601	24.4
107.56434	1.3
109.06493	2.5
109.10162	22.1
117.07038	4.0
119.08568	9.0
121.10151	19.8
123.08048	1.7
123.11722	7.7
131.08583	12.3
133.10106	10.2
135.11703	14.9
137.13232	2.6
143.08472	1.3
145.10152	9.1
147.11700	5.1
149.13280	11.1
155.01068	10.6
157.10199	2.7
159.11720	5.7
161.13275	4.8
163.14851	7.2
173.02161	14.3
173.13319	6.9
175.14743	1.9
177.16315	2.6
187.14844	4.0
201.16432	2.4
233.22693	3.5
243.21103	15.3
261.22150	49.2
317.24823	7.4
335.25824	100.0
336.26181	1.6
415.22427	3.9
433.23511	2.2
433.29147	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2588
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
50.59722	0.9
53.03948	1.4
54.27234	1.1
55.05499	4.1
56.96562	1.0
57.03426	1.2
62.49916	1.0
65.03944	1.4
67.05509	29.9
69.07066	3.9
71.17218	2.0
78.33485	0.9
79.05499	9.5
81.07066	34.6
83.08202	0.9
83.08624	6.6
91.05485	11.9
93.07056	9.5
95.04978	1.7
95.08611	31.6
96.42792	1.2
97.06567	1.5
97.10168	3.1
98.98453	4.4
105.07034	4.3
107.08598	6.5
109.06543	1.3
109.10164	16.9
117.39439	1.0
118.69500	1.2
119.04948	23.8
119.08585	6.2
121.06487	3.6
121.10137	8.1
121.32953	1.0
123.11716	7.9
131.08542	2.3
133.10182	6.7
135.11736	5.5
137.09634	3.6
137.13217	3.2
144.39038	1.0
145.10124	3.0
147.04419	100.0
147.11725	1.8
149.09526	1.2
149.13260	4.3
151.11261	4.8
155.10638	1.7
159.11682	1.9
161.13229	1.3
165.05486	25.0
173.13182	1.4
184.07399	1.6
187.11160	1.0
187.14803	1.4
191.14262	1.2
195.13916	1.5
215.17964	11.8
233.19060	5.8
247.14880	1.2
251.17584	2.0
251.20061	21.8
261.22067	3.0
314.21979	1.0
335.25735	4.2
433.29733	2.0
437.82455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03946	1.3
55.01865	0.4
55.05505	0.3
61.94883	0.2
67.05507	1.5
69.07066	1.1
69.47900	1.1
71.05012	0.3
75.50002	0.2
77.03935	0.5
79.05497	0.9
81.03410	0.2
81.07066	1.5
83.08606	0.4
84.67595	0.2
85.06538	0.4
91.05488	5.9
93.07050	9.4
95.04983	1.7
95.08598	1.3
97.10154	0.2
98.98464	0.4
99.08080	0.3
103.05484	5.6
105.04521	0.9
105.07029	0.7
105.50726	0.2
107.08611	0.9
109.09463	0.2
109.10171	0.7
113.09691	0.2
115.07596	0.2
119.08607	0.5
121.06514	100.0
122.06850	0.6
123.11730	0.2
125.09615	0.4
131.08611	0.3
133.10146	0.4
135.11687	0.8
145.10150	0.4
149.13300	0.2
157.10112	0.3
159.11707	0.3
171.11743	0.3
173.13342	0.3
195.11957	0.2
237.19423	0.2
250.09877	0.2
259.20636	0.3
277.21674	1.4
295.22696	0.9
335.25909	0.2
387.23132	0.2
415.28531	0.3
433.24014	0.3
433.29675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.05510	36.7
57.07052	5.9
59.05004	72.2
61.07611	4.1
61.87505	4.2
62.33338	5.9
63.04417	4.5
63.21639	4.1
67.05505	18.7
69.03429	6.7
69.07070	13.4
69.68910	22.0
71.04974	5.0
73.90318	4.3
79.05492	16.8
79.68197	4.8
81.07051	27.6
83.08600	8.6
85.06546	100.0
91.05492	38.9
93.07046	33.2
95.04957	7.5
95.08633	32.7
95.09135	6.1
97.06516	5.0
98.20702	6.0
99.08080	5.9
105.07036	37.9
107.08597	24.4
109.06494	9.4
109.10155	21.3
111.08123	11.3
115.05412	5.9
117.07023	18.9
119.08579	75.1
121.10179	26.9
123.08041	11.6
125.09666	31.6
128.06262	10.0
129.07018	7.9
130.07817	6.8
130.15742	5.0
131.08585	23.9
133.10139	25.0
135.08031	8.4
135.11691	6.3
137.09619	29.1
141.06969	11.2
142.07759	14.1
143.08556	18.9
145.10155	33.9
147.11697	11.7
149.09612	8.3
151.11201	35.7
153.05434	16.3
155.08517	9.9
156.09343	8.7
157.10107	24.8
157.27840	5.4
159.11700	20.2
161.09665	6.2
161.13289	5.1
163.11122	7.8
168.09334	7.6
169.10139	13.4
170.10869	5.4
171.11710	18.9
173.13234	7.6
175.11171	8.1
175.14758	5.2
179.08522	6.2
181.10135	10.6
182.11086	6.0
183.11707	16.4
185.13275	10.6
187.14862	7.5
191.14304	5.5
195.11691	8.2
197.13213	11.7
199.14813	5.9
203.14384	5.2
207.11732	10.1
209.13216	8.6
215.14290	6.2
221.13402	5.2
223.14870	5.8
235.14511	4.9
238.37236	4.1
247.01408	4.9
271.06094	11.6
341.24866	8.8
415.30310	5.7
433.31393	25.2
433.37170	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.7
57.07079	5.4
68.34132	0.5
69.07069	7.8
70.24678	0.6
70.70339	1.5
71.08636	3.6
71.97286	0.6
79.05463	0.6
81.07052	1.0
83.08619	4.9
85.06506	0.6
85.10186	1.9
95.08597	1.1
97.10194	4.8
99.04458	1.6
109.06538	0.6
111.11739	3.3
113.06035	3.3
116.79937	0.5
117.27055	0.7
119.08533	1.2
121.17802	0.6
125.06014	6.0
125.13232	0.7
128.32115	0.6
144.01024	0.6
145.10124	0.9
147.11754	0.6
151.14980	0.7
155.07047	100.0
156.07399	0.8
159.11752	0.8
185.04482	1.8
238.65520	0.6
254.73640	0.6
271.06079	1.1
311.36057	0.6
385.93295	0.6
391.35873	0.8
403.19080	0.7
405.20779	0.7
415.36014	2.9
418.17090	0.7
433.19382	2.0
433.24826	3.6
433.37021	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	5.4
69.77237	1.1
69.77646	2.1
79.05473	1.4
80.05017	0.8
80.24767	0.6
81.07056	2.2
91.05486	75.3
92.04967	1.0
92.05826	0.8
95.13194	0.6
104.05002	1.5
106.06553	2.7
107.04972	1.4
107.07320	0.8
107.08575	0.9
109.02831	0.7
109.06525	3.1
116.04999	1.5
119.04950	35.9
120.04448	1.3
121.02828	0.9
122.06046	1.0
132.04454	2.6
133.05309	0.8
134.06017	5.7
137.05986	99.0
138.06308	2.7
144.04457	4.3
149.02437	1.0
149.04616	0.7
150.05499	1.8
151.03908	0.9
151.06322	1.2
152.07109	1.9
154.02180	0.7
160.03943	14.9
160.12056	0.8
162.05510	22.7
164.06992	0.7
165.05489	6.9
165.07790	0.8
166.05931	4.6
166.08624	1.4
167.07042	1.5
171.98264	0.7
176.07062	5.4
178.05000	17.5
180.06549	2.8
181.04935	1.5
181.07275	0.6
188.03458	2.3
190.65112	0.6
191.03351	0.7
192.05286	0.5
192.06561	30.8
194.08134	86.9
195.08603	1.1
196.06143	0.9
204.06683	0.9
206.04523	5.8
208.09612	0.7
211.81015	0.7
220.06078	21.7
220.08234	1.4
224.05554	1.9
236.09180	8.2
238.07121	22.5
248.05627	0.8
254.10258	6.2
266.06683	2.3
271.05978	3.2
272.06375	6.7
280.08173	60.6
281.08652	0.7
298.09219	24.4
320.53720	0.7
368.77347	0.8
434.14490	100.0
435.14749	2.5
443.26144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1812
Annotation	Naamidine D
Peak:m/z	Relative Intensity
58.00559	0.5
65.03931	1.5
69.72340	1.7
69.72749	1.3
79.05445	0.6
81.07062	0.8
91.05488	24.3
93.07039	0.6
103.05441	0.6
109.06534	1.3
117.05777	0.8
118.06542	3.2
119.04955	9.6
120.04487	0.6
121.06499	2.8
130.67372	0.5
137.05981	20.6
144.04448	2.0
146.06013	12.3
160.07561	1.1
162.05501	1.8
162.09059	1.0
166.43779	0.5
172.03999	1.0
176.07069	2.1
178.08643	19.1
188.07140	5.0
190.08633	3.0
194.08215	0.9
204.06635	1.2
206.08122	6.0
216.06586	3.7
220.09698	13.7
222.11269	38.8
224.09225	0.7
234.07646	3.0
236.09370	0.9
238.10799	2.1
248.09177	9.1
254.13914	1.8
266.10260	45.4
280.11835	2.7
282.09714	1.2
284.56009	0.5
298.12988	1.0
346.47992	0.6
402.15427	3.9
434.18137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01865	2.1
57.03441	31.1
61.02929	14.1
62.87893	1.0
69.03082	2.0
69.03436	35.9
70.58501	1.9
70.58822	1.1
71.01356	1.9
71.04995	2.3
73.02923	61.8
77.78876	1.0
81.03424	6.7
85.02911	100.0
87.04457	4.1
91.03952	4.2
91.05054	1.1
91.05499	12.5
97.02902	50.7
99.04449	3.7
103.03936	1.1
103.05470	1.7
105.07045	9.6
109.02885	8.4
115.03939	37.6
118.06534	1.4
119.04957	4.6
121.06510	4.0
127.03925	29.4
132.06569	2.4
133.04990	12.7
137.05984	9.8
144.04448	1.4
145.04971	54.3
146.06020	5.6
147.08044	2.7
150.07666	5.9
160.03932	1.2
162.05536	1.5
163.06039	29.8
177.60587	1.1
178.08690	8.6
179.29504	1.1
180.08647	1.4
184.72902	1.0
188.07054	2.2
189.09131	1.5
190.04997	1.1
190.08617	2.0
194.08130	1.0
201.09134	4.5
206.08153	2.8
216.06674	1.2
217.06934	1.2
219.10268	1.5
220.09715	9.0
222.11261	19.5
223.06094	5.2
231.10194	1.4
236.09229	1.5
238.10820	2.5
241.07138	6.6
248.09219	6.4
249.11105	1.9
249.43184	1.0
254.13800	1.6
255.12367	1.4
259.08182	6.6
260.09183	1.1
266.10272	21.3
276.98929	1.1
280.12024	1.2
282.09680	1.5
285.13345	10.8
295.10184	5.7
298.12900	1.2
302.16135	1.8
402.15442	2.5
434.18094	48.7
435.18301	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44820	0.9
55.01870	2.1
57.03234	1.0
57.03444	10.8
61.02909	1.3
69.03437	5.7
69.24727	5.4
69.25159	6.1
70.06583	2.8
70.20253	1.1
73.02898	1.0
75.04490	5.7
78.41533	1.1
79.05493	4.3
81.03403	3.4
82.69839	1.0
85.02913	13.6
87.04447	1.6
91.05486	6.5
93.07043	3.2
95.04975	1.1
97.02888	4.1
103.05465	29.6
105.03393	1.6
105.07028	3.1
107.04950	2.3
109.02879	2.0
110.03655	5.9
112.07615	1.3
115.96843	1.1
119.04945	11.7
121.06519	4.8
122.03579	1.3
123.04421	10.0
124.05215	4.1
127.03923	4.4
131.04939	100.0
133.06483	1.5
135.08047	1.9
137.05989	22.9
138.06769	15.7
138.09109	1.7
145.04956	1.8
147.04420	1.7
148.05183	12.7
149.05994	1.8
150.58122	1.0
151.07515	8.9
161.05975	3.3
162.05576	1.5
163.07552	67.4
166.06265	19.3
166.08635	2.6
175.07567	2.6
177.09082	2.1
179.07042	4.3
181.08607	29.7
194.08112	1.5
219.10283	2.5
220.09708	1.3
222.07635	1.9
230.99594	1.1
236.09204	3.7
237.11249	16.8
238.10899	2.4
255.12300	62.8
282.09644	2.0
399.16681	2.4
406.14914	4.0
420.47229	1.2
434.13901	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03038	1.2
50.43988	1.4
55.01870	2.8
55.05510	4.4
57.03442	14.5
61.02926	7.6
61.37495	1.4
65.03941	1.8
69.03427	13.1
69.30175	13.1
70.06569	1.7
70.30906	1.4
73.02924	24.5
80.02993	1.4
81.03414	5.3
81.07033	3.2
85.02913	47.7
86.03262	1.5
87.04479	3.0
91.03947	3.6
91.05487	21.0
93.07039	4.6
97.02897	27.1
98.21471	2.3
99.04449	2.3
101.06052	2.0
103.05460	3.9
105.07047	8.3
107.04982	1.5
109.02880	4.4
115.03950	15.0
118.06538	1.7
119.04958	8.2
121.06522	17.4
127.03925	13.0
133.04922	7.6
133.10147	2.2
134.06029	2.0
137.05989	21.5
144.04456	2.5
145.04974	25.6
145.10118	2.4
146.06018	8.6
150.07614	3.3
162.05505	4.5
163.06023	12.2
165.05573	2.0
167.07114	2.0
173.13353	2.5
178.08655	14.0
181.05000	2.0
188.07086	2.5
190.08553	1.4
192.06609	2.0
194.08208	4.6
198.20981	1.5
201.09151	2.0
201.16483	1.8
202.96837	1.6
204.06499	2.2
206.08156	4.9
216.06712	2.0
219.13721	2.2
219.17413	3.1
220.09708	11.1
222.07802	2.8
222.11269	34.1
224.09167	2.9
236.09207	7.9
238.10782	9.9
241.07195	1.6
248.09222	6.0
259.08438	2.5
263.11288	1.6
266.10257	31.5
280.11783	2.4
282.09698	10.3
285.13388	5.4
295.10052	2.7
298.12671	1.5
371.19156	1.5
381.69772	1.5
393.01694	1.4
402.15863	1.8
434.18143	100.0
435.18457	3.0
456.31873	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05693	1.4
53.03946	2.3
55.05512	11.3
59.04993	2.8
64.76167	1.6
65.09057	1.7
67.05505	6.9
69.03415	2.0
69.07069	9.2
69.31805	14.0
71.04995	32.6
73.06549	3.8
77.36176	1.5
79.05492	16.3
81.07064	29.7
83.04987	2.7
83.08620	9.5
85.02911	6.7
85.06573	3.9
91.05475	15.0
93.07045	24.1
95.04970	2.5
95.08614	29.5
97.06522	5.8
97.10172	1.9
97.17909	1.6
99.08092	7.4
105.07035	38.1
107.08598	30.0
109.06522	3.0
109.10168	17.1
117.07032	1.9
119.08591	13.4
121.10145	16.7
123.11705	7.7
125.09637	34.1
127.07560	3.6
127.11196	6.9
131.08591	11.3
133.10136	90.8
135.11679	3.5
137.05965	4.6
139.11156	2.3
143.10684	50.7
143.11807	2.5
145.10094	10.6
147.11700	18.8
149.13261	26.1
151.11182	6.5
155.10568	2.6
159.11714	14.8
161.13240	7.8
165.05550	1.8
167.14328	85.0
169.12262	6.5
174.63225	1.7
185.15314	2.2
191.17982	2.4
193.53026	1.9
194.07996	1.8
201.16388	16.4
203.17981	2.8
219.17459	100.0
220.17740	2.0
237.18547	19.7
271.06104	2.6
272.06400	4.6
280.08032	1.8
434.14694	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	434.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26576	3.3
53.03937	4.3
55.05519	16.8
57.07088	3.1
61.02909	4.5
67.05501	20.0
69.03414	9.7
69.07057	11.2
69.54137	21.9
70.06595	3.4
71.05001	22.6
79.05494	19.4
81.03430	3.7
81.07063	37.6
83.04977	9.5
83.08607	10.9
84.74599	2.6
85.02903	22.7
85.06535	12.5
91.03951	3.0
91.05486	32.6
93.07054	35.2
95.04975	7.2
95.08611	31.3
97.02873	8.5
97.06521	12.6
97.10181	9.0
98.20802	6.8
99.08113	7.5
103.05472	4.9
105.07036	76.8
107.08607	51.2
109.06535	6.5
109.10155	24.3
111.08073	3.6
113.09454	3.0
117.06999	6.5
119.04944	9.5
119.08602	32.3
121.06528	33.2
121.10146	29.9
123.04403	4.0
123.11702	8.1
125.09631	41.1
127.03846	4.7
127.11223	14.7
130.07845	2.9
131.08577	16.7
133.10149	80.5
135.11688	19.5
137.05997	20.7
139.11136	4.6
143.08394	3.5
143.10684	89.9
145.02841	4.0
145.04956	5.9
145.10144	45.4
146.10428	4.4
147.11696	30.2
149.05986	3.9
149.13338	7.0
151.11194	10.3
153.01767	4.0
157.10127	3.7
159.11720	28.3
161.13301	24.8
163.03932	8.0
163.11238	4.4
164.07098	6.5
165.05489	4.6
167.07018	7.2
167.14333	7.9
169.12204	3.3
172.03932	13.1
173.13245	5.4
175.14803	8.0
176.07005	3.4
179.14339	3.0
181.04948	3.0
189.16432	7.0
191.17923	8.9
194.08139	8.6
199.14871	3.6
201.16386	41.5
203.17937	5.1
204.06564	27.6
207.17329	5.3
218.16110	3.0
219.17459	90.8
223.06175	4.2
224.09280	3.3
233.08058	5.0
236.09308	13.6
237.18512	29.2
238.10844	13.8
271.06061	42.7
272.06372	100.0
282.09805	16.1
357.14548	17.1
374.12900	8.4
389.17108	4.0
395.69745	3.1
402.12280	26.8
434.13855	30.0
434.18268	19.6
434.31305	15.6
435.16260	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	435.13
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.28846	0.7
53.03927	1.4
55.05517	5.1
57.03426	1.1
67.05505	1.0
69.03421	3.5
71.04996	2.2
71.57412	1.2
79.05473	1.0
81.03412	1.4
83.04987	25.2
85.02898	2.3
89.03922	7.7
91.05485	3.9
92.05816	2.1
93.07038	3.7
94.07384	3.2
95.04952	1.4
97.02884	2.6
99.04444	2.2
103.05467	3.3
104.05792	2.3
105.06136	1.0
107.04952	2.6
111.04448	6.0
117.03382	7.0
119.04939	1.3
121.06513	13.5
122.06023	1.3
122.06841	10.6
123.04441	2.0
123.07117	2.8
124.07391	1.0
127.03949	1.4
130.06528	1.7
131.06900	1.1
135.04428	13.0
145.02846	10.8
147.04395	1.2
151.03897	1.4
157.06526	1.1
161.05951	1.0
163.03918	100.0
164.04199	0.8
173.05992	1.2
175.03900	1.9
175.07565	0.8
176.07072	1.1
177.07468	1.2
178.07599	1.2
181.06538	1.0
183.04344	0.7
185.05998	1.0
187.07782	0.9
201.05457	1.1
203.05321	1.1
203.07080	2.7
204.06537	2.7
205.06866	3.7
206.07124	2.3
207.07370	1.3
213.05515	2.6
215.03542	0.9
221.06445	0.8
227.07100	2.6
229.05132	1.1
229.08620	2.0
231.06555	6.4
234.07486	2.1
235.07979	3.8
236.09308	5.0
237.09637	10.8
238.09708	9.3
239.09970	6.5
245.08171	2.3
250.06201	0.9
255.06601	2.5
263.07315	1.4
264.07593	3.0
265.07956	2.7
273.07568	9.0
280.08267	2.8
281.08560	7.4
282.08716	11.6
283.09036	12.7
307.08209	1.0
394.09546	1.8
403.15308	1.2
435.17416	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	coreopsin
Peak:m/z	Relative Intensity
50.01257	0.4
53.03934	0.7
55.01868	0.9
55.05296	0.5
55.05516	5.4
58.95893	0.4
63.02362	0.7
69.03437	2.7
70.06549	0.5
71.04987	0.7
71.10742	1.1
76.53146	0.5
79.05477	1.1
79.19450	0.5
81.03400	1.3
81.07021	0.6
83.04987	21.4
85.02885	0.9
89.03920	6.0
91.05488	0.7
95.04951	0.5
97.02869	1.5
98.21293	0.8
100.11253	1.3
103.05492	0.6
107.04958	1.9
110.07122	0.5
111.04445	4.9
117.02614	0.7
117.03395	9.4
121.06519	0.8
123.04456	1.6
127.03889	1.3
135.04424	16.9
139.08743	0.6
145.02853	10.9
145.03973	0.7
151.03922	2.0
157.06480	0.6
161.05977	1.0
163.03915	100.0
164.04218	1.2
169.05011	0.6
173.05983	0.6
175.03946	1.4
177.05510	0.6
181.04892	0.9
181.06422	0.7
182.15495	0.6
185.06163	0.5
199.07602	1.0
203.07031	1.1
209.16640	0.6
210.14711	0.5
211.07657	0.7
221.10062	0.5
227.07033	1.7
229.08661	1.7
231.06371	0.6
245.08145	1.9
255.06563	0.8
273.07608	4.4
283.09924	0.8
307.08081	1.0
417.11942	0.9
435.12799	0.9
435.18207	2.4
435.33401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1293
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.04671	0.6
59.16486	0.5
67.01868	1.1
69.03423	1.0
70.64243	1.2
85.02891	1.2
86.09702	0.4
91.05487	2.6
95.04948	0.6
97.02919	0.9
97.83231	0.4
107.04973	1.3
119.04952	6.9
121.02896	0.6
121.06525	0.6
123.04472	2.9
146.48233	0.4
146.94934	0.4
147.04422	33.1
151.03931	0.6
153.01843	62.1
154.02139	0.6
163.03938	2.3
165.01938	0.9
171.02933	1.8
172.85402	0.4
179.03421	0.5
189.05571	0.5
195.02888	1.5
196.06883	0.4
218.26405	0.4
219.02986	0.5
222.44711	0.5
258.73273	0.4
264.90292	0.4
271.06030	3.5
272.06326	2.5
273.07596	100.0
274.07907	1.3
341.06247	0.4
388.57565	0.6
435.22479	0.6
438.53882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1288
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
53.03952	0.4
53.33627	0.4
55.01865	0.5
55.05510	6.5
59.77560	0.4
62.63461	0.4
69.03437	1.9
71.56758	0.4
71.57168	0.5
75.90210	0.3
79.05489	1.1
81.03392	0.9
83.04987	31.1
85.02898	0.8
87.32365	0.4
89.03919	5.7
91.05444	0.4
91.84480	0.4
93.07087	0.5
95.04947	0.6
97.02909	2.0
98.21280	0.4
99.04440	0.7
100.11194	0.4
107.04951	2.2
109.02879	0.6
111.04452	7.0
117.03386	7.5
119.04940	0.4
121.06498	0.6
123.04446	1.2
127.03875	1.0
128.33975	0.4
131.65291	0.4
135.04425	15.3
145.01744	0.9
145.02846	11.1
145.03986	0.7
146.55521	0.5
151.03909	1.2
153.12750	1.2
155.08424	0.4
155.27638	0.4
157.06506	0.5
163.03912	100.0
164.04214	0.9
165.05501	1.9
167.07057	0.5
173.06091	0.4
175.03896	0.4
181.04953	0.9
185.05983	0.9
187.34055	0.4
189.05460	0.5
195.01718	0.4
199.07553	0.4
203.06967	0.8
211.07530	0.6
227.02136	0.4
227.07071	1.1
229.08659	1.3
231.06520	0.6
255.06544	0.6
271.46164	0.4
273.07587	2.8
307.08105	1.6
362.22626	0.5
402.25525	0.5
402.31033	0.4
433.27148	0.4
435.13239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1477
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
56.96579	1.5
60.48779	0.5
61.02920	1.0
61.44672	0.5
69.03430	2.5
69.88065	3.0
71.04987	1.6
71.33113	0.6
73.02927	0.7
81.03422	0.7
84.08118	0.9
85.02912	5.1
86.09704	2.1
91.05450	0.5
95.04957	0.5
97.02884	2.6
98.97598	4.4
107.04989	0.5
110.97601	1.1
112.07642	1.1
116.98608	1.3
121.02848	0.8
125.44524	0.6
128.98615	0.9
134.62485	0.6
135.04387	0.7
137.05966	1.1
140.03424	1.3
145.05005	0.7
147.04420	0.8
158.99672	1.7
163.03932	2.9
170.99677	0.7
201.00681	0.7
205.86826	0.6
212.06340	1.0
216.84006	0.5
219.01756	1.4
237.02954	1.9
273.09805	2.7
307.66934	0.5
307.84976	0.5
435.14792	100.0
436.15152	1.7
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	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03743	0.2
53.03949	1.7
53.27662	0.2
55.01871	0.2
57.01790	0.2
61.48519	0.2
63.88077	0.2
64.91338	0.2
65.03924	0.3
68.93719	0.2
69.52896	1.2
70.99892	0.2
75.04498	1.3
77.03922	0.5
79.05524	0.2
81.03432	0.2
81.07066	0.3
91.05487	5.8
93.07050	8.9
95.04966	1.9
95.08626	0.3
100.25384	0.2
103.05477	6.8
105.04520	0.7
105.07039	0.4
111.04453	0.4
117.05501	0.3
119.04926	0.3
119.08630	0.3
121.06512	100.0
122.06846	0.8
135.04485	0.4
135.11694	0.2
137.05957	0.2
145.02852	0.2
145.10057	0.3
149.02351	1.2
149.06029	0.3
158.04756	0.2
161.72459	0.2
163.03905	0.7
167.03354	0.2
167.07072	0.3
175.14815	0.2
177.05511	0.6
181.04951	1.9
188.66777	0.2
191.03450	0.6
195.06548	2.8
201.16516	0.3
205.04938	1.2
209.04526	0.4
209.08133	0.2
215.18036	0.2
223.06017	1.6
233.08148	0.2
237.07584	2.3
255.08745	0.7
283.08145	0.2
389.31921	0.2
435.32779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1651
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03946	3.1
55.05513	2.0
59.46980	1.2
65.03949	6.0
67.05516	2.8
69.03431	3.8
71.04992	3.2
71.54120	2.1
77.03961	1.2
78.04718	1.2
78.83965	1.1
79.05492	13.7
81.03428	3.4
81.07055	2.9
82.04220	1.9
83.04994	6.9
83.09851	1.1
85.02909	5.4
91.05500	6.0
93.03439	2.1
93.07029	1.7
95.04967	4.4
95.08603	1.9
97.02872	2.0
97.06531	3.3
99.04434	1.5
103.05473	2.5
105.07058	5.7
107.04964	34.7
109.06544	2.5
110.03666	2.6
111.04449	4.1
115.05496	5.9
116.06174	1.7
117.03387	2.2
117.07016	8.9
119.04997	1.7
119.08628	1.8
121.06516	2.3
121.10191	3.0
123.00772	1.4
123.04457	3.1
124.05222	6.4
125.06007	3.7
127.11204	2.4
128.06195	1.1
129.06996	3.8
131.04944	3.8
131.08537	2.7
133.06511	4.3
133.10130	4.2
135.04416	5.9
137.06009	5.2
138.03139	2.6
141.07001	2.2
142.02608	1.4
142.10782	1.1
143.10645	2.2
144.05739	3.6
145.02859	4.5
145.06502	18.0
147.04402	2.1
147.08031	2.8
149.06026	2.1
151.11244	2.0
152.04703	2.1
153.05479	3.4
155.04903	2.9
155.06042	4.7
156.05762	2.1
157.06525	4.5
159.04475	1.2
159.08112	1.3
159.11804	1.5
160.08838	1.2
161.06062	9.7
163.03920	33.5
167.07051	100.0
171.06552	3.3
172.05269	6.6
173.05992	11.2
175.03842	1.7
175.07600	3.3
177.05446	2.9
179.06979	1.7
181.04973	86.0
185.06042	2.9
187.07489	5.8
189.05435	7.3
190.06244	4.2
191.07011	2.2
195.06566	2.1
198.91605	1.1
200.04776	1.4
201.05519	12.0
201.16451	1.3
203.06998	4.3
205.08656	13.2
206.05780	3.8
207.10149	2.0
213.05524	3.3
217.08383	2.4
218.05704	11.8
219.06525	3.5
219.08366	2.0
219.10233	4.1
219.17496	3.0
221.08064	13.4
227.06876	1.2
230.52408	1.2
231.06505	3.2
233.08101	70.1
235.09683	8.0
237.18500	4.3
245.08075	4.8
249.09454	1.4
251.09164	12.2
255.19716	1.2
263.07034	1.5
263.09207	12.6
264.07870	1.4
265.08487	1.6
271.06076	2.9
273.07025	2.3
279.10114	1.6
280.07330	2.3
281.10434	1.9
292.07468	2.2
295.09656	2.0
303.05142	1.6
307.09592	2.1
309.07736	1.7
331.08118	4.2
337.10873	1.7
339.12204	2.3
346.10510	2.9
353.10202	1.7
355.11685	2.5
367.11691	4.5
371.14932	3.0
372.12302	1.5
381.13556	2.0
384.12115	1.5
387.14429	9.4
399.14410	9.3
405.15662	2.5
417.15460	79.1
418.15942	2.4
435.16660	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1631
Annotation	Psychrophilin B
Peak:m/z	Relative Intensity
50.15353	1.2
53.03941	1.2
55.05516	1.7
59.28068	1.3
61.71201	1.3
67.05503	2.6
69.03416	3.4
69.07056	1.9
71.04971	3.2
71.29154	2.5
72.09408	1.1
79.05495	2.2
81.07040	2.3
81.93376	1.2
83.04970	4.3
85.02882	3.4
91.05469	3.9
93.07053	1.9
95.04955	4.1
97.02889	1.7
105.07015	1.8
111.04408	1.7
117.03391	2.4
119.04938	4.2
119.08564	1.7
121.06512	11.3
121.10101	1.7
122.06878	1.6
123.04469	7.5
123.05192	1.3
124.04763	2.0
129.05482	3.0
135.04370	3.4
145.02832	2.6
145.10135	1.4
147.04417	3.3
150.05551	10.0
151.05804	4.1
157.10161	1.4
163.03905	21.5
165.05518	2.5
165.07481	1.5
166.05847	2.0
183.49989	1.2
185.04228	25.0
200.78371	1.3
207.80299	1.5
271.11475	2.5
273.10992	44.5
315.10556	1.6
371.19885	1.4
435.16229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
51.02385	0.3
52.94249	0.2
53.03958	1.2
55.01885	0.2
65.03946	0.5
69.52761	1.3
73.42349	0.2
75.04494	1.4
77.03942	0.7
77.74857	0.2
79.05497	0.4
81.07071	0.2
87.15440	0.2
91.05489	6.1
93.07052	8.0
95.04971	2.1
95.08640	0.4
97.02886	0.3
103.05477	6.6
105.04507	0.8
105.07037	0.3
107.04951	0.3
107.08592	0.3
109.10176	0.3
111.04446	0.8
119.08613	0.5
121.06512	100.0
122.06856	0.7
127.30527	0.2
133.10170	0.4
135.04390	0.4
139.03981	0.2
145.10156	0.5
149.02374	1.0
149.06035	0.2
153.05530	0.2
159.11728	0.6
161.13272	0.2
163.03934	0.5
173.13216	0.2
175.14923	0.3
177.05554	0.6
181.04968	1.9
187.14825	0.3
191.03423	0.7
195.06520	2.6
199.14955	0.2
201.16339	0.5
205.05006	1.3
209.04619	0.3
209.08127	0.5
223.05995	1.5
237.07582	2.5
241.07079	0.3
255.08755	0.4
273.12408	0.5
298.79630	0.2
317.63168	0.2
358.41647	0.2
365.98132	0.2
389.31937	0.4
435.32327	0.7
452.81778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03950	1.5
65.03950	0.3
69.45428	1.2
75.04484	0.2
77.03947	0.7
79.05459	0.2
81.03429	0.2
83.58743	0.2
85.17740	0.2
90.58087	0.2
91.05485	5.8
93.03400	0.3
93.07047	9.3
95.04971	1.6
98.21541	0.3
103.05472	7.1
105.04521	0.8
119.08599	0.3
121.06507	100.0
122.06827	1.0
132.71608	0.1
133.10187	0.2
135.04468	0.2
148.20006	0.1
149.02368	1.2
153.05383	0.4
163.03909	0.6
167.03424	1.2
177.05418	0.2
181.04956	7.9
191.03403	1.0
209.04518	0.6
223.06013	6.3
223.08174	0.3
255.08656	0.7
265.06909	0.4
305.21814	0.2
329.10223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.0
63.88628	0.4
64.27036	0.3
70.50725	0.3
71.13739	0.6
72.12955	0.3
74.12122	0.3
77.03931	0.6
87.11918	0.3
91.05486	6.2
93.07053	9.4
95.04979	1.8
103.05476	7.7
105.04531	0.7
121.02874	1.1
121.06517	100.0
122.06879	0.5
130.13429	0.3
135.04430	0.4
142.97260	0.3
149.02348	1.5
153.05518	0.7
163.03905	0.6
167.03416	1.0
179.71545	0.3
181.04974	6.1
191.03415	0.8
209.04460	0.5
223.06030	5.3
255.08733	0.5
381.43546	0.3
382.87375	0.3
441.42953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05511	25.7
57.07066	1.5
58.75254	0.7
65.03936	3.6
66.64925	0.7
67.05486	2.2
69.03432	1.6
69.07053	1.1
70.06589	3.3
71.04990	0.8
71.59285	1.4
79.05499	5.9
81.03407	1.8
81.07056	2.2
82.04189	0.7
82.06117	1.0
82.06581	10.8
82.72108	0.7
83.04977	4.3
83.08138	1.4
83.08622	23.7
84.08144	1.5
85.02891	3.3
85.06550	1.6
91.05499	3.3
93.03402	0.9
93.07053	0.7
94.04160	0.8
95.04968	2.4
96.08125	0.8
97.02895	1.3
97.06535	1.2
98.09698	2.5
100.07629	6.6
100.11260	69.4
103.05476	5.5
105.07025	2.3
107.04960	16.4
109.06516	1.4
110.03648	1.2
110.06053	8.3
111.04456	9.7
112.07607	3.4
112.32826	0.7
115.05441	2.6
117.07007	3.9
117.13877	1.9
119.04962	0.8
121.06538	0.8
122.03644	2.2
123.04447	2.4
124.05212	1.9
125.06008	1.4
126.09145	3.1
127.08716	4.9
128.07086	6.4
129.07004	1.6
131.04936	7.9
131.08559	1.0
133.06456	3.5
133.10106	1.6
135.04384	1.3
137.05984	25.6
139.08655	7.4
140.07089	2.2
141.07007	1.0
144.05692	1.8
145.06477	7.1
147.08044	0.8
149.13278	0.9
151.03946	0.9
152.04665	2.3
153.05475	1.8
155.06039	2.0
157.06500	2.4
159.04475	1.0
159.08112	1.5
161.05972	5.8
163.03932	5.5
163.07550	2.7
164.14276	1.2
165.05611	0.7
165.07007	1.0
166.15913	0.8
167.07051	45.1
171.06615	1.4
172.05214	3.4
173.05954	3.5
175.07610	1.9
181.04959	40.7
182.07280	1.0
182.15408	40.4
187.07558	3.1
189.05493	2.9
190.06245	2.7
191.06918	0.8
191.10684	1.5
192.13882	1.6
195.06540	1.2
200.04759	1.0
201.05515	3.5
201.16353	0.9
203.07042	1.2
205.08636	4.9
206.05681	1.3
207.08185	0.9
209.16495	35.4
210.06836	0.9
210.14897	39.5
215.84695	0.9
217.08621	1.7
218.05692	3.7
219.06471	2.3
219.08340	1.0
219.10269	1.4
219.17383	1.1
221.06053	1.5
221.07976	5.5
225.09116	2.1
226.19131	25.3
228.15910	2.9
233.08076	30.8
235.07565	1.6
235.09660	4.0
237.18782	0.8
245.08139	2.3
251.09018	4.3
263.06976	1.3
263.09229	6.0
264.07629	1.0
265.08731	1.1
270.05301	0.9
279.10162	1.5
284.06476	1.0
285.06702	1.4
285.08246	0.8
285.11194	7.8
291.49869	0.7
293.08099	0.9
297.11176	1.6
306.08746	1.5
307.09613	0.9
308.27161	0.9
309.07596	1.0
309.25497	1.6
311.12814	2.4
315.07559	1.2
323.09088	1.3
331.08090	2.1
335.24365	4.1
336.22836	24.0
337.07043	1.1
339.08420	1.2
339.12262	1.8
344.12177	0.9
353.10336	1.1
355.11816	1.8
367.11655	3.1
369.09332	1.4
371.15140	1.0
372.12231	0.9
384.11887	1.0
387.14459	5.0
399.14215	3.8
405.15482	1.4
417.15506	33.9
417.32205	5.4
435.17950	2.6
435.33316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03949	2.2
55.01864	0.3
55.05509	0.5
56.96564	0.3
65.03930	0.5
67.05496	0.8
69.07068	0.5
71.04984	0.3
71.57542	0.3
75.04462	0.3
77.03937	0.6
79.05492	0.7
81.03417	0.4
81.07053	1.2
83.04990	0.6
83.08604	0.3
85.02906	0.4
87.45423	0.2
91.05486	8.3
93.07053	10.5
93.90857	0.2
95.04977	2.5
95.08607	1.4
97.02950	0.3
98.21339	0.3
103.04789	0.4
103.05481	8.5
105.04512	1.3
105.07050	1.1
107.04976	0.3
107.08624	1.2
109.10171	0.7
119.04955	0.3
119.08612	1.5
121.06512	100.0
122.06879	1.1
123.04480	0.3
123.11714	0.3
129.07021	0.3
131.08604	0.6
133.10156	0.7
135.04425	0.5
135.11710	0.7
142.07774	0.3
143.08566	0.5
145.02911	0.2
145.10138	0.7
147.11711	0.5
147.20566	0.2
149.02376	0.4
149.13298	0.5
149.34277	0.3
150.05504	0.2
157.10117	0.7
159.08090	0.3
159.11768	0.4
161.09669	0.3
161.13298	0.3
163.03889	1.8
164.07144	0.3
167.03401	0.4
169.10107	0.3
171.11673	0.4
173.09709	0.3
173.13318	0.3
175.14890	0.2
181.04973	1.4
183.11783	0.4
185.09705	0.2
185.13214	0.2
187.14873	0.4
192.10207	2.7
193.10110	0.3
195.06604	0.7
199.14909	0.4
201.16455	0.5
205.05011	0.2
207.11673	0.3
211.14815	0.3
213.16501	0.3
223.06013	1.1
239.17816	0.2
240.07492	0.2
255.02074	0.3
255.08911	0.2
269.07425	0.3
282.08585	0.4
283.08820	0.4
389.21078	0.4
389.32123	0.7
435.16449	1.2
435.22513	0.4
435.32532	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23121	1.6
55.05500	6.0
57.03411	1.5
65.03929	2.5
67.05482	3.9
69.03427	3.2
69.07061	4.5
69.90872	5.3
70.06579	2.1
70.70584	1.4
71.04987	17.0
72.06006	1.3
73.02904	3.3
74.14347	1.3
75.02277	1.5
76.44567	1.4
79.05488	9.8
81.07043	13.9
83.04978	6.8
85.02907	8.9
85.06506	2.3
91.05492	18.2
93.07035	10.4
95.04971	2.8
95.08604	9.5
97.02906	2.8
97.06539	3.4
97.10180	1.6
99.08080	5.1
103.05459	4.3
105.07026	35.3
107.04948	8.7
107.08608	13.1
109.02843	1.5
109.06527	2.2
109.10172	13.6
115.05490	1.9
117.07005	7.8
119.08572	10.5
121.06535	3.4
121.10143	10.8
123.11697	3.5
124.05201	2.0
125.05952	1.8
125.09640	13.9
127.03885	1.6
127.11200	14.7
129.07011	1.5
131.04916	2.9
131.08595	8.7
133.10132	100.0
134.03638	1.9
135.04398	3.4
135.11687	7.0
137.05952	9.3
139.03978	1.5
139.11211	2.9
143.10677	16.5
145.06479	1.8
145.10146	13.3
146.10541	1.7
147.11664	6.2
149.05954	3.9
149.13255	3.3
151.11211	7.7
152.11519	1.4
155.10670	2.3
157.06570	2.7
159.11687	10.1
161.13246	4.9
163.03888	9.6
165.05489	3.1
167.07060	27.7
173.05923	2.7
173.13130	1.7
177.05469	2.0
177.12660	1.5
181.04953	18.2
181.06461	2.2
191.17984	1.7
201.16379	22.4
209.08070	3.8
218.05690	1.7
219.17453	27.4
225.07568	2.1
229.05045	1.7
233.08083	10.8
237.18503	50.7
248.17928	1.3
251.09073	2.5
255.06487	8.4
255.19635	5.8
263.09143	2.7
273.07550	6.0
285.11246	2.0
303.05008	22.6
330.51746	1.8
387.14694	1.6
417.15576	13.1
435.12735	5.7
435.18369	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2745
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
52.98893	1.1
53.03938	1.2
53.97969	0.9
55.05302	1.0
55.05518	11.1
55.87780	1.1
57.07088	2.2
62.06485	1.3
64.24896	1.0
65.03948	2.0
67.05209	1.2
67.05521	10.0
69.03432	1.4
69.07071	20.3
71.57109	1.6
74.27753	1.1
79.05499	7.9
81.07066	21.8
83.04975	1.9
83.08619	11.3
84.25388	1.1
85.06537	1.6
85.19666	1.0
91.05491	16.7
93.07047	13.5
95.04982	1.8
95.08613	24.8
97.06542	2.8
97.10178	12.2
99.08085	1.4
105.07034	11.5
107.08610	15.6
109.06551	1.8
109.10165	12.9
111.08062	1.4
111.11721	6.1
117.06991	3.1
119.04949	23.6
119.08598	18.0
121.06499	2.7
121.10146	11.6
123.11735	5.0
125.09676	2.9
125.13289	2.2
129.07036	1.8
131.08568	6.5
133.10153	15.2
135.08130	1.3
135.11716	8.5
137.09598	2.4
137.13239	2.0
139.11136	1.6
139.14693	1.0
143.08572	2.5
145.10164	11.9
147.04425	100.0
147.11687	9.0
149.09642	1.5
149.13255	3.5
151.11134	1.7
151.14769	1.8
153.12766	2.3
153.88069	1.1
155.10687	1.5
156.09312	1.3
157.10187	5.2
158.10898	1.4
159.11687	9.9
161.13278	8.6
163.03906	1.8
163.14836	2.6
165.05501	17.0
165.12741	1.9
169.10199	2.0
170.10756	1.1
171.11711	5.6
173.13284	6.3
175.14876	9.7
177.16385	4.4
179.14325	1.6
183.11763	1.9
185.13293	2.0
187.14880	5.7
189.16409	7.8
191.17892	1.3
195.11903	1.1
197.13382	2.4
199.14738	5.9
201.16399	14.2
203.18013	1.8
213.16554	6.8
215.18034	4.0
217.16054	1.6
217.19519	13.2
227.17944	1.8
235.20605	13.4
247.16905	1.8
253.19313	1.9
253.21608	11.3
265.19827	1.7
281.22623	1.1
289.43796	1.1
293.96838	1.1
325.21658	1.3
343.26096	2.1
389.32217	6.2
407.33121	2.2
417.30402	2.6
435.27295	4.2
435.32635	30.9
447.13419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03948	1.8
55.05510	1.4
57.07066	0.5
59.14091	0.3
64.64143	0.3
65.03944	0.4
67.05510	2.8
69.05830	0.3
69.07073	1.6
69.44228	2.5
69.90587	0.3
77.03915	0.6
79.05482	1.1
81.07057	3.4
83.08616	1.0
91.05485	6.8
93.07050	11.4
95.04974	1.9
95.08606	6.1
100.81887	0.3
103.05478	7.3
105.04519	0.6
105.07040	3.6
107.08596	4.2
109.06492	0.6
109.10165	2.6
117.07030	0.8
119.08585	5.5
121.06510	100.0
121.10112	2.5
122.06822	0.5
123.11716	1.5
131.08583	2.0
133.06543	0.3
133.10155	3.6
135.11665	2.0
137.13260	0.6
141.07027	0.3
143.08548	0.9
145.10129	3.4
147.11702	2.6
149.13298	1.5
157.10144	1.4
159.11667	2.1
161.13251	1.7
163.07524	0.4
163.14874	0.4
169.10193	0.7
171.11700	1.4
173.13257	1.4
175.14821	2.2
177.16371	0.5
183.11700	0.5
185.13306	0.9
187.14848	2.1
188.90797	0.3
189.16394	3.1
191.17953	0.6
195.11754	0.5
197.13219	0.6
199.14862	1.8
201.16386	5.5
203.17931	1.1
209.13210	0.5
211.14813	0.7
213.16441	1.1
215.18065	0.8
225.16405	0.6
227.18066	0.9
229.19585	0.4
233.15457	0.3
237.16557	0.4
239.18022	0.5
241.19475	0.4
243.13574	0.4
243.21104	0.5
247.16992	0.3
253.19498	0.8
255.20993	0.4
259.16904	0.4
265.19577	0.5
267.21155	0.6
279.23291	0.7
281.22583	0.3
283.24048	0.3
293.22562	0.4
295.24060	0.4
297.24417	0.6
299.20166	0.4
353.24695	0.3
379.26373	0.6
389.32104	3.0
391.33725	0.7
393.81683	0.3
417.30548	0.5
435.32617	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	435.326
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03938	2.0
55.05517	8.4
57.07062	2.1
65.03941	1.2
67.05507	14.4
69.03379	0.9
69.07070	13.4
70.09221	3.8
71.65577	0.8
74.02417	1.2
77.03957	1.1
79.05495	8.9
80.49693	0.7
81.03466	0.8
81.07060	22.1
83.08622	6.7
86.09708	1.7
91.05477	9.8
93.07050	20.5
95.04974	2.2
95.08611	28.5
97.10143	2.4
98.20803	1.4
98.97540	1.6
99.31525	0.9
105.07033	20.3
107.04958	1.7
107.07877	1.5
107.08601	28.2
109.06532	1.3
109.10162	22.8
115.05457	1.0
117.07030	4.2
119.08588	38.7
121.06503	2.8
121.10149	17.0
123.11715	6.1
125.06016	1.4
129.07016	2.2
131.08568	12.0
133.10138	20.0
135.08151	1.3
135.11696	10.4
137.05992	1.5
137.13263	1.7
142.07733	1.3
143.08548	8.1
144.09361	1.7
145.10127	24.3
147.11691	15.9
149.13274	12.3
151.07558	1.7
153.09106	2.4
155.08635	4.5
156.09308	1.9
157.10147	11.0
158.10915	1.9
158.82816	0.9
159.11710	18.4
161.09659	2.0
161.13261	11.2
163.07565	4.3
163.14848	3.8
168.09352	1.2
169.10165	5.1
170.10986	1.3
171.11710	8.9
173.13272	12.9
175.14838	11.4
177.16399	3.7
179.10701	1.2
180.06535	4.7
181.04991	1.4
181.10130	1.4
181.12206	1.5
183.11661	6.6
185.13235	8.0
187.14833	12.9
189.09187	1.5
189.16393	16.6
191.10655	1.0
191.18008	1.4
195.11688	3.7
197.13243	5.9
199.14841	12.4
200.74324	1.1
201.16391	21.4
203.17931	7.9
205.12360	1.2
209.13210	4.5
211.14851	6.1
213.16367	9.3
215.14366	1.3
215.17981	9.3
217.16003	1.1
217.19487	1.0
219.13832	1.9
221.13260	1.3
222.07701	1.4
223.14821	3.1
225.16490	5.1
227.17986	4.2
229.19539	3.6
231.13753	1.6
233.08029	1.4
233.15408	4.2
234.14021	1.1
237.16423	3.4
239.17912	4.3
241.19519	2.1
243.13869	1.6
243.21262	1.4
245.15416	2.5
247.16936	1.8
249.16493	1.6
251.18011	3.3
253.19614	3.0
255.21100	2.3
257.15375	1.9
257.22571	1.1
259.17142	2.4
263.17966	1.8
265.19412	2.1
267.21149	4.0
271.16821	1.8
272.96045	0.9
273.18576	2.1
277.19528	3.0
279.20969	3.4
281.22766	2.2
283.16837	2.2
283.24182	7.1
285.18536	1.8
291.21097	1.2
293.22656	2.6
297.18555	2.8
299.20105	1.8
307.24240	1.2
311.20193	1.3
319.24353	2.8
323.20007	1.5
325.21634	4.1
327.23074	1.3
331.69882	1.1
333.25607	1.8
339.23154	1.3
351.23157	1.7
353.24728	1.6
365.24774	1.9
379.26355	2.6
389.32059	20.0
393.27957	1.3
407.33282	2.2
417.31519	2.0
435.21289	6.1
435.32629	100.0
436.32889	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3264
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
50.08000	0.7
52.34417	0.7
53.03945	1.6
55.05513	8.6
57.07077	1.6
62.73862	0.7
65.03931	2.0
67.05508	17.7
69.03401	0.8
69.07071	11.0
69.55298	1.2
69.55706	3.0
71.04972	0.7
77.03902	0.7
79.05502	11.1
81.03400	0.7
81.07061	22.9
83.04988	0.9
83.08637	6.4
85.06508	0.8
91.05486	14.3
93.07047	23.9
95.04984	1.7
95.08611	28.2
97.10145	2.1
98.21098	2.7
103.05461	1.0
105.07040	25.3
107.04990	0.7
107.08602	35.3
109.06538	1.2
109.10159	26.6
111.08092	1.6
111.11705	0.7
115.05455	1.0
117.07010	5.4
119.08587	44.3
121.06492	2.7
121.10155	18.9
123.08112	1.0
123.11726	5.8
128.06183	1.1
129.06993	4.4
130.07788	1.4
131.08577	14.8
131.09517	1.1
133.07582	0.7
133.10138	24.3
135.08073	0.9
135.11693	9.4
137.13257	2.0
141.07008	1.3
142.07809	1.9
143.08557	9.2
144.09343	2.2
145.10127	28.1
146.10944	0.7
147.08046	0.9
147.11700	15.7
149.13274	9.4
149.14398	1.1
151.07561	1.0
153.09143	1.5
155.08582	3.0
156.09357	3.4
157.10147	16.2
158.10886	1.9
159.08075	1.0
159.11699	27.0
161.13252	11.2
163.03928	2.1
163.07579	2.5
163.14784	3.8
167.08620	1.2
168.83438	0.8
169.10168	5.4
170.10947	1.9
171.11700	12.5
172.12518	1.7
173.11777	1.0
173.13272	16.1
175.11183	1.3
175.14839	14.7
177.09085	1.1
177.16362	3.9
179.08551	0.7
179.10742	0.9
181.10161	2.2
181.12274	0.7
182.10936	0.9
183.11703	5.6
184.12512	2.1
185.09674	0.8
185.13278	8.1
186.13919	0.9
187.14827	17.0
189.05414	0.9
189.16405	15.0
191.17937	1.7
193.10205	1.1
195.11682	2.5
196.12477	0.8
197.13287	6.1
198.14064	1.6
199.14833	17.8
201.16397	33.2
202.16736	0.8
203.10654	1.1
203.17990	8.1
207.11746	1.4
207.13747	0.8
209.13219	3.5
211.14844	4.4
213.13184	0.9
213.16408	18.3
213.18375	1.4
215.14455	1.5
215.17947	9.9
217.12233	0.9
217.15904	1.5
217.19547	2.0
219.13850	1.5
221.13284	1.3
221.15326	1.2
222.14073	0.9
223.14818	2.9
225.16385	5.7
227.17932	5.6
229.15810	0.8
229.19595	2.5
231.13823	1.2
231.17409	1.0
233.15436	2.4
235.14754	1.2
237.16408	3.1
239.18047	4.1
241.19514	2.9
243.17551	0.7
243.21120	2.5
245.15392	1.8
247.17084	2.0
249.16426	0.8
251.17928	2.4
253.19608	3.5
255.21123	1.9
257.15344	0.9
257.22592	1.4
259.17041	2.4
261.18546	1.4
263.17938	1.5
265.19614	3.1
267.21106	3.3
269.22687	1.6
271.16980	1.4
273.18576	1.3
277.19562	1.8
279.21112	3.0
281.22620	3.5
283.16965	1.8
283.24286	3.5
285.18393	2.6
287.20148	1.3
291.20978	1.2
293.22604	3.1
297.18454	1.5
299.20178	1.9
311.20166	1.5
313.21564	1.2
319.24088	2.1
325.21719	2.6
327.23236	2.3
333.25772	1.4
334.17615	0.9
339.23239	1.2
341.24716	1.7
347.27161	0.9
353.24805	1.5
365.24695	1.1
369.20419	1.3
371.22336	1.1
374.29657	0.9
379.26245	2.3
389.32050	20.7
390.32529	0.8
391.33667	1.7
399.21658	1.0
407.33203	4.9
412.39017	0.7
417.22705	1.0
417.31833	2.1
435.32632	100.0
436.33023	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	435.3259
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
52.04702	0.8
53.03943	1.6
55.05508	8.6
57.07072	2.4
65.03947	0.9
67.05503	13.4
68.10606	0.8
69.07069	10.9
71.57613	0.8
74.70872	0.8
77.03959	1.0
79.05494	7.9
81.07061	15.6
82.14650	0.8
83.08629	4.8
91.05474	10.4
93.07041	15.5
93.07629	1.3
95.04976	1.0
95.08609	35.7
97.10181	1.1
97.96204	0.8
103.05468	0.8
105.07034	21.4
107.07867	1.2
107.08595	25.3
107.09296	1.6
109.06546	1.0
109.10166	13.3
111.11726	1.0
117.06994	5.0
119.08583	36.7
121.06558	0.9
121.10146	17.7
123.08064	1.1
123.11717	6.8
129.07045	3.4
130.07765	1.3
131.08574	14.1
133.10135	19.3
135.11690	12.3
137.13286	1.7
142.07790	1.3
143.08543	6.6
144.09349	1.3
145.10129	21.5
147.11693	13.9
149.09674	1.0
149.13272	7.2
151.14803	1.0
153.09117	0.8
155.08554	3.5
156.09364	1.0
157.10135	8.9
158.10957	2.0
159.11699	18.8
161.13245	9.6
163.03903	1.0
163.07573	3.0
163.14835	3.0
169.10103	5.0
170.10901	1.2
171.11676	8.7
172.12451	1.1
173.13268	10.3
175.14813	9.9
177.16396	4.9
181.10184	1.7
181.12256	0.8
183.11702	5.2
185.13260	8.5
186.14046	0.9
187.14801	12.5
189.16393	17.7
191.17929	2.1
195.11742	2.1
196.12518	1.1
197.13290	3.3
199.14819	10.1
201.12636	0.9
201.16397	25.7
203.17963	7.7
205.12225	0.9
207.11697	1.7
209.13229	1.2
211.14833	4.2
213.16437	6.6
215.14450	1.1
215.17946	6.1
217.19434	1.1
219.13806	1.7
223.14865	2.7
225.16406	4.8
227.17928	4.6
229.15973	0.9
229.19595	1.9
233.15213	1.4
235.14929	1.1
237.16505	1.9
239.18018	2.8
241.19577	1.8
243.13858	1.2
243.20959	1.7
245.15446	3.5
247.16994	1.5
249.16463	1.1
251.18018	2.0
253.19460	3.9
255.21033	1.2
259.16995	3.7
265.19495	2.2
267.21057	2.6
269.22659	1.1
271.17087	2.6
277.19458	1.6
279.20944	1.7
281.22656	1.2
283.16888	1.1
283.24362	1.9
285.18478	2.2
293.22684	2.6
295.24234	3.1
296.24948	1.0
297.18747	0.9
299.20004	2.3
305.22653	2.2
307.24234	1.1
311.19855	1.5
313.21564	2.1
319.24237	1.5
321.25671	1.2
333.25726	2.0
337.21408	1.1
339.23169	1.3
347.27362	2.6
351.23187	1.5
353.24646	1.1
365.24844	2.5
379.26303	3.0
389.32047	18.7
391.33698	4.3
392.27191	1.2
417.30859	1.5
435.32605	100.0
436.32895	1.8
449.31375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3472
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
51.87114	0.2
55.01858	0.7
55.05491	0.7
57.07049	0.5
67.05489	0.4
69.07049	0.7
70.75265	0.5
74.09646	0.2
79.05476	0.3
81.07050	0.9
83.08612	0.6
91.05473	0.3
93.07029	0.5
95.08607	1.0
97.57993	0.2
99.00788	0.6
99.04458	3.9
105.07022	0.5
107.08604	0.8
109.10174	0.7
111.04453	3.2
113.02379	0.3
119.08608	0.7
121.10168	0.6
123.11681	0.3
125.06003	9.5
133.10127	0.4
141.05463	5.4
143.08499	0.3
145.10185	0.5
147.11667	0.3
153.05475	100.0
154.05806	0.9
159.11697	0.4
161.13272	0.4
167.07109	0.7
181.92734	0.3
195.10057	0.3
195.89890	0.3
202.16629	0.2
251.01187	0.3
251.41302	0.3
417.33633	9.6
418.34174	0.3
435.34790	33.6
436.35141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3836
Annotation	Taiwaniasterol D
Peak:m/z	Relative Intensity
55.01875	6.0
57.07071	2.6
61.11240	0.8
70.16352	4.1
71.08619	1.0
80.72500	0.9
81.07063	2.7
83.08585	1.2
88.75415	0.9
89.06028	1.7
95.08593	1.5
97.02905	19.6
98.21447	0.9
99.04421	1.4
109.10172	1.0
115.03934	4.8
118.39538	0.9
123.08094	1.7
139.07503	1.3
151.07556	30.6
165.09123	10.1
169.08621	12.2
179.10719	4.7
192.10223	2.6
193.12276	4.1
207.13786	1.7
221.15422	2.5
233.91718	1.0
235.16920	1.4
278.15234	1.0
325.15579	0.9
417.37299	100.0
418.37408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.15439	0.6
55.01859	1.0
55.05513	1.2
56.05026	2.7
57.03427	2.7
58.99592	5.3
60.04534	3.9
65.03930	2.5
67.05502	0.9
68.05027	1.5
69.03413	2.2
69.07051	0.9
69.76400	3.2
70.06567	1.9
74.00653	1.6
76.01837	0.8
76.02231	9.6
79.05463	3.1
80.05021	0.8
81.03419	1.2
81.07058	7.6
83.06104	1.7
84.04508	12.0
85.01121	2.3
85.02894	1.7
86.00648	3.5
86.06023	0.7
86.99062	3.1
87.02697	3.3
87.04493	0.9
88.03989	4.1
91.05486	28.6
94.06516	0.9
95.08598	2.9
96.04516	0.7
97.02877	1.5
97.06533	1.4
98.09691	4.8
99.08090	1.0
100.02191	2.0
101.00581	1.2
105.07030	1.8
106.05021	5.1
106.06533	1.0
107.04959	8.5
109.06530	1.6
112.07603	2.1
113.04224	3.5
114.05535	1.2
115.03931	1.3
115.05759	0.8
119.04951	10.8
120.04488	1.0
122.09668	1.5
123.08100	1.0
127.05807	1.5
128.01666	1.9
129.06570	3.5
130.04967	2.4
130.06850	1.8
132.06581	0.9
133.05052	1.2
134.06033	4.3
137.05983	27.8
139.05771	1.3
140.07062	1.1
142.05009	1.2
144.04442	1.2
145.06834	1.2
146.02715	5.8
148.07532	0.6
152.07062	1.1
156.01192	0.7
156.08434	18.2
157.06877	6.3
160.03986	3.2
160.06062	0.8
162.05507	9.0
164.03703	1.6
166.08630	0.8
174.02202	4.8
174.09508	12.5
176.07060	1.2
178.04958	4.2
178.08702	0.9
180.06541	1.8
181.07402	0.8
186.11278	3.5
188.07057	1.0
190.01688	1.7
192.03271	8.0
192.06512	1.9
194.08144	14.1
196.09741	0.7
202.08960	1.4
204.03320	0.7
204.06551	2.6
206.08138	2.5
209.05934	2.8
210.07643	1.9
210.11259	2.7
211.96648	0.6
212.09180	1.5
220.09706	1.7
222.07623	8.3
224.09164	3.2
225.09982	3.4
233.05936	1.9
236.09193	12.6
238.10738	30.7
240.08635	0.9
246.07973	1.0
255.88675	0.6
256.11597	7.2
268.08936	1.5
271.11063	1.2
271.57468	0.8
271.95828	0.6
282.09735	23.7
285.12683	2.3
289.12177	58.7
300.10815	4.2
313.12180	4.0
331.13211	6.2
418.15771	2.3
435.13834	0.7
436.16025	100.0
437.16287	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58427	0.8
69.03431	1.2
71.56083	1.0
74.55555	0.8
79.05490	1.1
83.04988	1.9
85.02905	1.0
91.05490	1.4
93.07082	1.7
95.04984	10.7
97.02915	1.1
109.06551	0.9
113.17101	0.9
117.03398	0.9
121.06523	3.8
123.04443	3.5
135.04436	1.2
151.03912	11.8
163.03949	8.7
164.04256	6.2
165.05495	100.0
183.06648	1.0
193.05046	2.2
198.94554	0.8
202.49165	0.9
207.06577	2.9
209.15416	0.9
225.07617	3.7
239.09160	9.6
435.70285	1.7
436.20584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
56.96555	0.4
57.03444	2.2
59.04980	0.4
60.04516	0.5
61.02943	0.3
64.13337	0.3
66.91436	0.3
69.03078	0.5
69.03433	6.9
69.04903	0.3
70.06609	1.5
70.06920	0.3
71.04998	0.6
71.44911	0.5
79.05487	0.5
81.03429	0.7
84.08166	0.4
85.02427	0.5
85.02914	7.3
86.09720	0.3
87.04472	5.3
89.03902	0.4
91.05470	0.9
91.27074	0.3
95.04965	0.6
97.02898	5.4
98.97569	0.7
99.04435	0.4
103.05454	0.3
105.73495	0.3
107.04961	100.0
108.05273	0.3
109.02898	0.4
112.07634	0.9
115.03942	8.1
117.03336	0.3
117.61142	0.3
119.04987	0.7
121.06559	0.3
123.04399	0.3
126.56321	0.3
127.03918	0.6
133.04970	8.0
135.04436	0.4
137.05989	2.3
145.02882	0.5
145.04997	1.0
147.04440	0.9
150.07646	2.2
153.12550	0.3
155.19112	0.3
163.03905	1.8
163.06029	0.4
169.05058	0.4
172.75621	0.3
177.05566	1.0
179.07060	0.8
193.08618	0.7
219.01898	0.4
237.02818	0.5
238.10806	0.6
251.06854	0.6
256.09775	0.4
259.08221	0.9
274.10934	0.4
277.09229	0.5
295.10211	1.8
353.74951	0.3
355.07263	0.7
373.07962	0.4
436.15710	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01881	7.4
55.05519	6.3
57.03435	2.9
61.02927	3.8
67.05517	5.6
68.99808	2.7
69.03436	19.8
69.07073	5.4
69.70383	9.1
71.04983	3.7
73.02916	5.0
79.05502	11.7
81.03422	20.0
81.07075	10.1
83.24516	1.9
84.08126	1.8
85.02911	53.2
87.00845	21.3
88.49976	1.7
91.03978	2.0
91.05494	18.0
93.07051	79.7
95.04978	6.2
95.08617	10.5
97.02905	24.7
97.06535	4.9
99.04481	9.5
104.56425	1.6
105.01880	28.0
105.04522	2.8
105.07047	6.9
107.08603	100.0
109.02882	21.3
109.06550	2.7
109.10180	7.3
112.11254	3.6
115.03943	2.9
117.01889	2.4
119.06094	2.1
119.08562	2.4
121.06535	8.5
121.34213	1.6
123.04466	2.3
127.03933	44.1
129.01880	1.8
133.10165	1.8
135.11703	61.4
137.13199	1.5
145.04961	27.3
145.10117	1.8
147.02893	2.9
149.06006	2.0
151.03914	1.7
153.12735	5.9
159.02925	13.4
159.11676	1.7
163.03943	3.4
164.04263	2.7
165.05453	11.6
184.07339	1.8
213.03937	2.2
231.05055	10.0
239.33110	1.6
243.14037	1.7
268.46365	1.6
347.15192	1.7
435.70361	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.05506	1.7
57.03431	0.5
57.76416	0.3
59.04979	0.8
64.05769	0.4
67.05491	0.4
69.03416	1.3
69.07066	1.2
69.51145	2.8
71.04992	10.3
73.06563	3.4
79.05502	3.3
81.03394	0.8
81.07061	14.0
83.04961	0.5
83.08613	0.6
84.04514	0.5
85.02908	3.6
87.00832	1.7
91.05466	1.3
93.07043	10.9
94.43735	0.4
95.08610	1.7
97.02904	2.0
97.06548	0.7
98.21451	0.6
105.01857	2.4
105.29292	0.3
107.08597	7.5
109.02871	0.7
109.10152	1.5
119.08553	0.4
121.06503	0.7
127.03922	1.5
135.11699	17.1
145.04984	0.9
147.04385	1.0
153.12747	100.0
154.13110	0.9
161.86546	0.4
163.11275	0.6
230.46077	0.4
249.06190	0.5
383.16711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.7
53.61639	1.4
55.01865	7.6
55.05504	6.2
57.03424	4.3
61.02925	5.0
62.93993	1.4
65.03934	1.8
67.05495	6.3
68.99787	1.9
69.03429	21.1
69.07059	4.4
71.04989	3.8
71.57420	2.3
73.02911	5.1
79.05500	12.9
81.03421	19.5
81.07063	11.3
83.04978	4.3
83.08583	1.6
85.02908	63.0
87.00829	20.8
87.04475	1.7
91.03947	2.1
91.05486	23.4
93.07051	85.4
95.04961	4.4
95.08620	13.9
97.02899	28.5
97.06511	6.8
97.78238	1.5
99.04491	9.4
99.10337	1.5
99.91402	1.4
105.01872	27.4
105.07072	7.5
107.08601	100.0
107.66096	1.4
109.02878	22.0
109.06516	2.3
109.10171	6.5
117.01848	4.2
119.06100	2.6
119.08603	2.4
121.06503	5.7
123.04372	1.7
125.05881	1.8
127.03924	49.3
129.01843	2.9
133.10121	2.5
135.11694	74.2
145.04958	26.7
145.10109	1.8
147.02887	3.5
153.12732	5.1
159.02884	16.6
163.03957	3.8
164.04256	2.0
165.05481	4.8
165.12788	2.0
184.07254	1.9
189.03984	2.0
213.03894	2.4
225.12816	1.9
231.04999	12.4
243.13905	1.7
442.52496	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05501	1.7
55.13355	0.6
55.54661	0.5
59.04996	1.2
60.00024	0.5
60.43537	0.5
63.85838	0.6
67.05505	0.7
69.03426	1.9
69.07069	1.4
69.99915	0.5
71.04996	13.0
71.55937	0.6
73.06570	2.7
79.05488	3.4
81.03404	1.1
81.07062	14.6
83.04981	1.5
84.08197	0.6
85.02909	2.8
85.06531	0.6
87.00844	1.8
91.05476	2.1
93.07046	11.6
95.04964	0.5
95.08596	1.9
95.95412	0.6
97.02881	1.5
97.06522	1.0
99.04424	0.8
105.01858	2.6
105.07056	0.8
107.08616	8.6
109.02821	1.2
109.06570	0.7
109.10155	2.2
121.06520	1.6
127.03916	2.3
135.11707	17.8
145.04984	1.7
153.12758	100.0
154.13110	1.0
162.10132	0.5
163.03915	2.9
164.04263	2.7
165.05521	0.8
392.36646	0.6
436.14999	1.0
441.60013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60917	1.0
55.05527	1.5
56.47372	1.1
57.07077	6.2
57.35492	1.0
58.06590	1.5
58.90480	1.0
59.30812	1.1
67.05514	3.1
70.06594	14.3
71.08595	1.3
79.05494	2.1
81.07057	4.0
84.08147	1.3
88.07635	17.0
91.05495	1.4
93.07062	3.0
95.04975	1.3
95.08632	3.0
102.09187	15.3
103.01804	2.5
105.07079	1.4
118.53478	1.0
119.08572	1.5
121.06542	1.7
123.11713	1.9
129.45863	1.1
131.08627	1.4
135.04456	4.6
147.04433	4.0
147.11778	1.4
151.14865	1.0
163.03918	76.9
163.05003	4.3
172.95276	1.2
177.04076	1.3
183.41508	1.1
191.07033	1.2
207.06548	81.9
256.26382	49.4
288.93973	1.0
420.35648	1.1
436.30627	100.0
437.30740	2.0
460.80350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.87472	0.5
56.30616	0.5
56.96556	0.7
57.03423	2.3
61.02918	1.9
69.03436	3.0
73.02924	5.3
81.03406	0.9
81.81721	0.5
83.04974	0.5
85.02913	6.6
91.05476	0.8
97.02890	3.0
98.97581	2.0
109.02875	0.5
110.97559	1.0
111.04449	0.7
111.39455	0.6
115.03928	1.1
116.98643	0.5
119.04968	0.6
124.19038	0.5
127.03886	1.3
134.51578	0.5
135.04446	1.1
137.05994	1.8
143.03406	100.0
144.03731	0.7
145.02847	0.9
145.04974	1.6
147.04504	1.0
163.03914	3.9
163.07480	0.7
167.07045	0.9
195.98814	0.5
219.01796	1.0
221.03101	0.7
221.05260	0.5
237.02823	1.2
271.04886	0.7
305.08713	3.2
323.09869	0.6
355.07260	0.6
437.15872	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.8
57.03442	4.4
61.02925	2.6
69.03444	3.8
70.27899	2.5
71.01353	1.5
71.04992	1.1
73.02923	9.9
81.03403	1.1
85.02435	0.9
85.02911	10.8
89.03924	1.2
90.30917	0.7
91.03945	0.9
91.05456	0.8
97.02898	22.6
98.20754	0.9
98.97612	3.2
101.00887	1.1
109.02866	1.0
110.97546	1.1
115.03937	2.6
116.98668	1.0
117.03322	0.7
119.01910	0.9
125.02357	86.2
127.03926	2.7
135.04430	2.3
137.05995	1.9
143.03406	100.0
144.03783	0.9
145.02837	1.3
145.04979	2.7
147.04436	1.0
158.99672	1.0
163.03905	11.5
177.00665	0.8
185.02974	0.7
187.04620	0.9
219.01755	1.4
221.03003	2.1
229.33369	0.7
237.02769	0.9
237.06168	0.8
239.04292	0.8
264.07425	0.9
271.04565	0.9
289.74716	0.7
293.61459	0.7
305.08582	4.2
377.07309	3.0
409.10303	1.0
437.16226	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	437.1445
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
65.03942	1.8
69.23892	0.2
70.57501	0.8
76.72315	0.2
79.05500	0.5
81.07078	0.7
91.05487	29.7
93.03409	0.4
95.01320	0.3
97.02922	0.3
102.92398	0.2
102.93694	0.2
107.04979	0.3
107.52739	0.2
109.06504	1.6
111.04450	0.3
119.04952	16.1
121.02894	1.7
121.57851	0.2
123.00789	0.9
135.04428	0.6
137.05986	100.0
138.06352	0.6
149.02350	3.3
153.05482	0.4
155.03392	0.3
163.03938	0.7
165.05492	0.5
167.03386	1.4
179.07054	0.4
181.04945	3.1
191.03430	1.4
205.04971	0.5
209.04492	0.9
218.36211	0.3
223.06041	2.4
283.08044	0.3
345.09601	1.0
442.74109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50208	1.7
54.73055	1.8
57.03462	1.8
59.04995	1.8
69.34107	12.8
69.34514	3.6
77.74328	1.9
85.02908	6.2
95.04983	23.3
99.98026	2.1
111.04499	2.6
112.23831	1.9
123.00803	6.2
123.04457	11.1
125.02383	9.7
127.07535	4.8
129.64619	1.9
137.05988	4.3
139.03914	100.0
140.36302	1.8
141.05469	1.9
151.03909	17.0
155.06976	2.1
165.05467	34.5
167.03386	2.0
181.05037	2.9
183.06509	13.3
193.04953	7.9
211.06009	14.6
225.07585	93.8
239.08986	1.9
243.08658	11.8
257.10248	6.3
263.19775	2.0
324.87814	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.3
53.03948	8.1
54.90366	1.2
55.01866	4.5
55.05519	10.9
57.03438	10.8
57.07068	5.2
61.02919	2.2
62.85247	1.3
67.05507	19.2
69.03436	12.4
69.07075	50.9
70.88400	3.7
71.04995	9.8
73.02922	3.1
73.82173	1.5
77.03910	1.8
79.05495	23.6
81.03415	8.2
81.07068	20.0
83.04961	5.9
83.08646	9.5
85.02906	9.8
91.05476	8.2
92.37196	1.2
93.07053	31.9
94.74622	1.2
95.04956	6.0
95.08053	1.7
95.08614	23.0
97.02901	55.7
97.06538	28.9
99.04467	21.9
101.06017	1.6
103.05493	1.8
105.03403	100.0
105.07027	8.5
107.08598	31.6
109.02894	22.8
109.06480	1.6
109.10168	16.6
111.04456	3.2
111.08083	4.3
111.11718	2.2
117.07006	2.4
119.08606	11.5
121.06547	6.4
121.10115	5.9
123.04458	6.4
123.11716	4.2
127.03933	28.6
127.54703	1.5
129.05496	2.0
129.07031	1.5
131.08566	4.8
132.83800	1.5
133.10135	7.7
135.11707	63.2
137.05980	1.8
137.13205	1.4
144.09283	1.4
145.04982	23.3
145.10126	5.4
147.11678	5.9
149.02400	1.9
149.13272	2.4
151.11195	1.9
153.12764	57.4
157.10152	2.2
159.11649	6.3
161.13234	2.7
163.03958	3.2
163.11221	1.4
165.07484	1.5
171.11607	1.8
171.13823	34.7
173.13254	3.2
175.14879	3.0
177.16437	1.8
185.13222	2.0
187.14909	2.4
189.16386	10.3
191.17833	1.5
193.04944	3.0
197.13350	1.7
201.16399	7.4
203.17976	6.8
213.16451	2.1
215.17892	3.6
217.19505	1.5
229.19533	2.0
247.16959	1.4
271.16931	1.4
315.17996	15.3
391.33569	5.9
401.29160	1.8
419.21954	2.7
437.24899	2.0
437.34293	14.6
462.10428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	2.3
55.05515	3.7
57.07080	2.6
67.05505	7.2
69.07083	8.5
69.26674	15.6
71.04990	16.6
79.05508	8.7
81.07061	48.6
83.08605	4.7
84.08151	1.8
85.02906	5.6
85.06068	3.2
85.06548	39.5
91.05478	5.4
93.07056	16.5
95.08612	53.1
97.06536	5.4
98.20734	3.6
99.08081	10.7
101.06004	8.4
105.07053	8.3
107.08601	20.1
109.10149	22.4
111.08085	7.1
113.68442	1.8
114.64944	2.0
119.08594	10.1
121.10134	8.5
123.11715	18.3
125.09615	1.9
127.11208	9.0
133.10129	6.8
135.11700	23.5
137.06036	3.8
137.13248	4.4
139.11134	1.7
141.12749	2.4
144.28101	1.7
145.10210	1.8
147.11705	5.7
149.13260	2.7
151.11206	1.8
151.14848	5.9
153.12762	15.5
161.13269	5.0
163.14876	2.2
177.16388	2.4
203.17973	13.5
209.19083	1.7
221.19022	20.8
239.20064	100.0
254.14494	2.3
257.21136	14.0
275.22183	23.8
275.24945	2.4
287.13901	2.3
305.05527	2.2
437.21884	2.6
443.57367	2.0
455.40753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.2
57.03434	1.1
57.07076	3.1
61.02917	0.9
63.03658	0.8
64.99021	0.7
67.05509	7.4
68.09238	0.8
69.03429	2.4
69.07069	8.8
70.06575	0.9
71.05000	15.4
71.59225	1.0
71.72167	0.8
73.06543	1.2
79.05502	6.4
81.03426	1.5
81.07063	45.9
83.04987	1.0
83.08627	2.9
84.63041	0.8
85.02908	4.4
85.06550	36.5
86.09712	2.4
91.05483	3.4
93.07050	14.8
95.04982	1.4
95.08614	50.3
97.02876	1.5
97.06552	4.7
97.10189	1.2
99.04491	0.8
99.08102	11.1
101.06028	6.9
105.07056	7.4
107.08595	15.3
109.09456	1.4
109.10168	20.0
111.08111	6.0
119.04981	1.0
119.08592	9.0
121.02884	1.6
121.10163	9.3
123.11713	20.0
125.09625	1.8
127.03938	1.2
127.11169	7.2
132.61269	1.0
133.10130	6.9
135.01486	0.8
135.11714	20.8
137.05991	5.1
137.13271	3.2
139.11151	1.6
141.12746	3.8
145.10103	0.9
147.11690	7.2
149.13274	3.2
151.11217	2.5
151.14816	8.7
153.12762	10.8
157.12242	2.0
161.13252	3.9
163.14822	1.4
165.12708	0.9
167.07100	0.9
175.14827	1.2
177.16370	4.3
191.17914	2.0
203.17973	11.2
209.19006	2.8
221.19032	17.9
229.26210	0.8
230.05646	0.8
239.20076	100.0
239.92938	0.9
240.20399	1.0
241.13351	1.1
257.21136	13.5
263.98862	1.0
269.12872	2.5
275.22198	21.3
276.12537	0.9
287.13965	2.1
305.05560	2.0
306.14362	0.9
352.66125	0.9
437.16473	1.0
437.21365	2.9
437.71271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.5
57.07069	4.4
67.05176	1.4
67.05508	15.9
69.07069	14.8
69.45081	2.4
69.45488	6.1
77.59117	1.2
79.05495	7.4
81.07063	37.9
83.08630	6.6
84.80796	1.0
85.03429	1.3
91.05484	6.5
93.07048	17.4
95.08614	73.5
97.06511	1.1
97.10181	3.3
98.21482	1.5
105.07037	24.2
107.08603	28.8
109.10164	26.6
117.07019	5.1
119.08588	35.5
121.10151	20.6
123.11716	14.9
127.39218	1.3
129.07056	3.4
130.09212	1.2
131.08578	11.7
133.10141	19.1
133.71446	1.0
135.11699	13.3
137.05945	1.2
137.13251	9.4
143.08556	6.2
145.10130	31.4
147.11705	16.5
149.13281	8.5
151.14830	9.0
153.09132	1.6
155.08580	3.0
156.09355	1.3
157.10184	8.0
158.10725	1.3
159.11707	19.0
161.13268	14.9
163.14806	10.2
169.10161	3.7
171.11699	14.7
173.13269	16.5
175.14841	20.7
177.09149	1.2
177.16394	6.8
183.11708	5.0
184.12340	1.2
185.13187	6.2
187.13342	1.2
187.14781	6.0
189.16391	18.6
191.17972	11.6
193.15846	1.8
195.11780	1.4
197.13297	4.5
199.14859	9.0
201.16415	25.9
203.17989	19.2
205.19498	1.7
209.13315	1.3
211.14883	3.4
213.16406	9.3
215.17969	11.9
217.19577	5.3
221.15416	2.0
223.14925	2.0
225.16412	3.3
227.18039	3.9
229.19553	4.2
231.17459	1.6
235.16966	2.9
237.16408	1.3
239.18001	9.3
241.19518	17.2
243.21162	4.9
245.15457	1.4
247.16930	5.9
251.17943	1.4
253.19513	5.2
255.21103	3.8
259.17038	5.0
261.18396	1.6
265.19629	1.3
267.21121	3.2
269.22647	1.3
279.20877	1.5
285.18524	9.2
287.20081	5.4
295.24344	4.6
295.81647	1.5
299.20023	6.6
307.24225	2.0
313.21671	3.9
315.22980	1.3
321.25879	2.6
335.27475	3.5
349.28885	1.7
367.26459	1.5
391.33597	19.4
419.04498	1.1
419.11053	1.2
419.33142	1.4
437.34189	100.0
438.34436	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79164	1.7
53.03934	2.6
55.05524	8.4
55.77138	1.7
57.07068	4.1
62.12092	1.7
67.05501	16.0
69.07074	16.7
69.17604	1.6
71.16856	1.6
71.49115	3.8
79.05495	9.3
81.07062	39.4
83.08613	7.6
91.05490	7.6
93.07049	21.1
95.08611	66.0
97.10175	3.8
105.07029	18.9
107.08607	30.7
109.10155	26.8
117.07077	3.6
119.08585	33.5
121.10149	15.6
123.11715	18.9
124.64536	1.7
129.07018	3.4
131.08578	9.7
133.10136	19.2
135.11678	13.9
137.13261	13.4
143.08557	5.8
145.10117	25.1
147.11691	17.8
149.13264	11.9
151.14844	10.5
155.08626	2.2
157.10139	7.1
159.11699	14.1
161.13298	13.0
163.14815	12.6
169.10135	5.6
171.11765	9.4
173.13255	11.1
175.14833	18.1
177.09210	1.9
177.16385	5.4
183.11749	4.5
185.13289	6.6
187.14832	8.2
189.16388	15.4
191.17972	11.3
193.15979	2.4
197.13283	5.1
199.14798	9.9
201.16400	23.8
203.17963	16.2
211.14847	3.2
213.16464	8.5
215.17986	11.8
217.19534	5.9
225.16376	4.1
227.17992	5.5
229.19531	5.3
239.18005	8.0
241.19547	19.9
243.21181	8.4
245.15390	3.1
247.17101	4.8
253.19557	5.4
255.21121	6.5
259.16840	2.8
259.20599	2.4
265.19583	2.4
267.21112	5.1
269.22607	4.7
273.18542	2.5
281.22568	3.0
283.78345	1.8
285.18478	11.9
287.20010	2.6
295.24310	2.9
299.20212	7.1
301.21600	2.9
307.24319	2.2
313.21689	4.1
327.23090	2.2
335.27390	4.0
353.24780	3.1
367.26331	2.2
381.28098	2.5
391.33646	26.5
392.33789	1.8
419.33292	2.7
437.34225	100.0
438.34848	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Alertenone
Peak:m/z	Relative Intensity
55.05500	5.6
57.07067	3.5
58.77094	1.6
61.32818	1.3
67.05500	12.4
69.07062	14.6
70.83245	2.6
70.83590	2.2
79.05484	8.2
81.07055	35.9
81.33910	1.3
83.08608	6.0
87.04430	1.7
91.05479	11.6
93.07041	21.5
95.08607	58.1
105.07025	28.4
107.08595	39.9
109.10164	25.2
109.10844	2.5
111.08102	2.3
117.07038	5.1
119.08584	39.9
121.10143	29.6
123.11704	10.6
128.06244	1.6
129.07011	1.9
131.08582	13.6
133.10129	28.8
135.11688	13.3
137.13261	4.9
141.06851	2.1
142.07835	2.0
143.08583	8.7
145.10117	34.4
147.11693	23.4
149.09607	1.6
149.13260	18.8
151.14827	6.3
153.09102	1.5
155.08524	2.6
156.09352	1.9
157.10127	11.7
159.08121	1.5
159.11691	18.8
161.13263	12.0
163.14822	13.2
165.12746	2.1
165.61612	1.7
167.10680	4.3
169.10167	6.2
171.11688	13.9
173.13287	16.8
175.14827	21.8
177.16394	21.9
181.10110	1.7
183.11719	6.3
185.13277	11.4
187.14812	13.9
189.16383	18.6
191.17924	7.9
193.15915	2.1
195.11696	1.7
196.12488	1.8
197.13297	4.8
199.14819	10.4
200.15607	1.9
201.16396	18.2
203.17952	14.9
205.15892	2.9
205.19617	2.0
211.14868	3.5
213.16402	7.5
215.17946	10.3
217.19495	2.9
223.14842	2.9
225.16377	5.5
227.17966	6.1
229.15817	1.9
229.19618	2.4
235.16933	6.3
237.16264	1.9
239.17949	9.4
241.19415	7.6
243.17427	7.3
243.21129	4.3
247.16977	5.9
251.18019	1.7
253.19614	3.3
255.21074	4.5
257.19052	8.7
259.17007	1.9
259.20618	1.9
261.18518	12.4
263.17899	1.6
265.19482	2.2
267.21036	1.7
269.18671	1.6
269.22726	6.1
273.18433	3.2
275.20108	23.4
281.19070	2.7
285.18555	3.5
287.20129	3.0
289.21725	1.6
295.24283	5.2
299.20151	8.5
301.21606	2.3
313.21469	1.6
321.25693	2.4
323.27310	3.1
349.28796	1.7
361.28995	4.6
391.33762	9.8
401.32098	7.4
419.33054	19.5
437.34198	100.0
438.34601	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	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34879	1.3
50.99897	1.2
53.03940	3.0
55.05506	9.7
57.07064	4.2
60.62014	1.2
67.05509	12.1
69.07076	11.7
69.93650	5.1
79.05500	7.0
81.07063	24.0
83.08632	8.0
91.05479	12.4
93.07048	23.1
95.08614	47.2
97.10147	3.9
105.07040	35.8
107.08601	38.2
109.10162	25.2
117.07001	7.0
119.08591	57.2
121.10149	32.4
123.11716	12.5
125.06052	1.9
129.06996	2.8
131.08568	14.8
133.10141	41.5
135.11713	21.6
137.05951	1.6
137.13248	5.2
143.08557	5.9
145.10133	31.6
147.11702	34.5
149.05919	1.4
149.13245	13.8
151.14796	1.8
153.09120	4.5
153.44563	1.3
157.10121	5.5
158.10889	2.2
159.11705	30.7
160.12563	1.4
161.13274	16.9
163.14830	8.1
169.10150	1.8
171.11725	5.1
173.13254	10.5
175.14850	25.1
177.09077	2.2
177.16400	18.2
183.11609	2.6
185.13287	5.0
187.14853	9.7
189.15086	0.8
189.16396	52.8
191.17934	10.0
199.14822	4.0
201.16391	50.1
203.17972	54.4
207.17433	1.8
211.14801	1.6
213.16376	6.0
215.17943	22.0
217.19568	3.8
221.15520	1.3
225.16425	2.6
227.17918	3.5
229.19466	4.5
231.17371	1.6
231.20985	1.8
235.16997	3.8
239.18050	3.0
243.21216	6.6
247.17015	11.8
249.18597	2.9
253.19550	2.6
255.21071	3.2
261.18561	9.6
267.21112	2.3
269.22610	3.4
273.18484	2.7
287.19968	2.5
289.21811	1.5
295.24298	3.6
299.20148	2.9
301.21613	3.0
313.21472	1.9
315.23108	2.2
321.25647	1.6
367.26196	1.8
381.28033	2.0
391.33575	18.4
394.28824	4.1
419.34314	1.7
437.34201	100.0
438.34610	4.4
464.65472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.05513	6.2
57.07075	2.5
67.05510	9.6
68.08858	0.9
69.07072	10.4
69.98920	3.2
69.99347	1.7
71.08627	1.2
79.05488	6.1
81.07062	19.1
83.08638	5.7
91.05476	9.2
92.01789	1.0
93.07041	16.5
95.08606	31.7
95.75754	1.1
97.10171	1.7
101.66204	1.0
105.07032	26.2
107.08602	25.5
109.10168	18.8
117.07027	4.1
119.06074	1.0
119.08582	46.3
121.10147	19.4
123.11700	7.2
127.92433	1.0
129.07005	2.5
131.08560	9.3
133.10136	29.3
135.11696	15.7
137.13242	4.0
143.08568	3.5
144.09370	1.3
145.10129	22.6
147.11693	30.8
149.13249	9.1
153.09163	2.2
156.30060	1.1
157.10138	4.2
158.10904	3.0
159.11699	24.1
161.09671	1.2
161.13275	19.2
163.14835	4.1
164.28461	1.2
171.11708	3.5
173.13261	8.9
175.14839	22.4
175.16286	1.9
177.16406	10.9
179.10742	1.3
183.11703	1.6
185.13292	1.1
187.14815	7.8
189.16389	47.6
191.17921	8.8
197.13277	1.5
199.14885	4.1
201.16385	43.6
201.18266	2.3
203.17963	53.6
205.19550	1.3
211.14951	1.4
213.16357	6.5
215.17960	20.8
216.05273	1.0
217.19540	3.9
221.15405	2.1
225.16570	1.1
227.17964	4.0
229.19591	6.1
235.16914	5.4
239.17931	2.2
241.19577	4.6
243.21010	5.3
247.17018	5.2
249.18622	2.5
253.19557	2.0
255.21111	4.1
259.17010	2.6
261.18533	5.9
267.21078	1.2
269.22818	2.1
273.18610	1.7
285.18491	1.3
287.20050	1.1
299.19901	1.1
301.21484	2.1
327.23380	1.4
381.27905	1.5
391.33655	13.3
419.33743	1.2
437.34189	100.0
438.34518	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05513	7.1
57.07069	2.9
67.05510	10.6
69.07074	11.5
70.85831	2.1
71.08613	1.2
79.05490	8.1
81.07061	26.5
83.08614	7.2
89.26560	0.9
91.05491	9.7
93.07050	19.8
93.87695	0.8
95.04997	0.9
95.08611	40.3
97.06524	0.8
97.10163	2.9
105.07036	33.4
107.08599	31.8
109.10159	22.5
111.08076	1.3
117.07015	4.8
119.08588	48.6
121.10152	28.4
122.74223	0.8
123.11709	14.5
125.64354	0.9
129.07002	1.6
131.08577	11.1
133.10136	35.4
135.11696	19.0
137.05960	1.1
137.13237	3.6
143.08577	3.6
144.09338	1.9
145.10121	28.7
146.10901	1.1
146.99919	0.9
147.11699	33.3
148.12466	0.9
149.13272	11.8
151.07549	2.0
153.09099	3.3
155.08603	0.9
157.10124	6.9
159.11688	26.5
160.12476	2.3
161.13268	17.6
163.07597	2.4
163.14851	6.8
165.09097	1.1
169.10115	1.6
171.11711	4.3
173.13268	11.4
174.14076	1.4
175.14835	20.6
175.16290	1.7
177.09163	1.9
177.16383	11.5
183.11671	2.2
185.13266	4.0
187.14867	8.5
189.16388	46.1
191.17987	8.7
193.15887	1.3
195.11806	1.4
197.13309	1.4
199.14844	3.0
201.16394	44.0
203.17960	46.3
205.19543	1.6
207.17435	1.6
211.14899	2.0
213.16449	3.6
215.17960	17.9
217.15820	1.2
217.19583	3.5
221.15321	1.8
225.16425	2.0
227.17969	3.4
229.19563	5.0
235.16974	3.5
239.17889	2.0
241.19511	3.2
243.21140	5.1
247.16977	10.1
249.18622	2.5
253.19554	2.5
255.21083	2.1
257.22705	1.0
259.17068	1.4
261.18549	7.0
264.07208	1.0
267.21176	2.3
269.22836	1.4
273.18527	1.5
285.18396	1.1
287.19946	2.5
289.21796	1.0
295.24118	4.6
299.20078	1.6
301.21652	2.5
313.21698	1.7
315.23224	1.8
321.25647	1.0
381.27960	1.4
391.33679	12.9
394.28775	2.4
395.29611	0.9
419.33432	1.2
437.34192	100.0
438.34302	1.8
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
53.03941	2.0
55.05502	8.2
57.07076	3.3
67.05498	8.8
69.07077	10.6
70.83099	1.8
78.36846	1.2
79.05495	6.5
81.07056	27.2
83.08627	6.6
91.05486	12.0
93.07045	21.8
93.88298	1.5
95.04998	1.6
95.08613	41.2
97.10159	4.4
105.07034	30.6
107.08604	26.8
109.06509	1.6
109.10149	16.6
117.07040	4.4
119.08588	50.6
121.10145	28.5
123.11710	8.8
129.06987	1.7
131.08568	13.1
133.10136	33.4
133.11081	2.3
135.11679	17.1
137.13251	4.1
143.08594	6.2
144.09328	2.9
145.10124	27.4
145.79666	1.4
147.11693	27.8
149.13242	12.7
155.08519	1.6
157.10089	7.8
159.11684	25.6
160.12399	2.3
161.13292	17.5
163.14806	8.0
167.10635	1.9
169.10092	2.5
171.11717	5.1
173.13249	12.5
175.14835	18.5
177.16411	15.1
183.11713	4.4
185.13289	5.2
187.14891	9.0
189.16394	60.0
191.17934	8.7
197.13206	2.4
199.14880	5.4
201.16397	37.6
203.17972	41.0
205.19568	2.1
211.14856	1.8
213.16318	9.9
215.17963	19.4
217.15977	1.7
217.19574	4.0
223.14952	2.0
225.16519	2.4
227.18030	6.0
229.19565	4.5
231.17320	2.7
235.17149	2.3
239.18117	2.4
241.19507	4.6
243.21107	2.8
243.37256	1.6
247.17026	6.4
249.18546	3.7
253.19623	3.7
255.21111	2.0
259.16995	3.0
261.18616	5.9
267.20981	3.0
269.22586	2.4
279.21127	2.2
295.24109	1.8
299.20041	1.8
325.25320	4.3
391.33557	12.5
395.29568	2.8
401.32260	2.0
407.33261	5.0
419.33258	5.2
437.34259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58111	1.0
53.03959	1.7
54.97215	1.1
55.05514	10.0
57.07056	2.4
60.67962	1.1
67.05506	17.6
69.06712	1.8
69.07074	20.0
71.40780	2.3
73.02930	1.5
76.04694	1.2
79.05482	10.9
81.07063	36.6
83.08630	5.9
91.05473	12.2
93.07050	30.6
95.04954	1.3
95.08616	57.9
97.10163	3.4
103.05487	1.2
105.06384	2.0
105.07046	27.0
107.08608	41.7
108.08901	1.1
109.10165	35.6
111.11719	2.5
112.68346	1.1
117.07019	5.0
119.08591	40.6
121.06511	1.3
121.10153	33.1
123.11703	14.1
129.06976	2.6
131.08589	18.4
133.10139	30.5
135.11710	18.0
137.06003	5.1
137.13275	4.9
141.06973	1.4
143.08582	8.8
144.09369	1.6
145.10139	25.4
147.11693	22.0
149.13269	23.6
153.09120	2.6
155.01854	1.7
155.08578	1.9
157.10124	9.2
158.10811	1.1
159.11691	22.7
161.13257	12.4
163.14821	8.1
169.10188	5.6
171.11728	8.8
172.12440	1.4
173.03081	1.5
173.13292	14.1
175.14830	18.1
177.16417	14.9
183.11720	5.3
185.13280	7.5
187.14838	16.8
189.16397	36.4
191.17957	7.8
195.11705	2.0
197.13301	4.9
199.14824	5.3
201.16400	23.0
203.16211	0.8
203.17960	22.5
203.19737	1.8
205.19585	2.7
209.13397	1.6
211.14896	3.5
213.16386	9.1
215.17981	23.8
217.19574	4.8
225.16383	4.6
227.17914	7.2
229.15898	1.4
229.19513	5.5
231.17473	1.9
233.15375	2.1
235.16949	2.5
237.16457	3.8
239.17908	8.0
241.19456	6.1
243.17433	1.4
243.21080	5.1
247.17018	5.1
251.18005	1.5
253.19600	4.0
255.21072	3.4
259.16934	4.2
261.18585	4.8
265.19638	2.3
267.21136	3.8
269.22708	2.8
271.16803	1.6
273.18469	3.3
275.06207	1.8
275.20248	1.3
276.06232	1.3
279.21301	2.7
281.22687	5.0
285.18530	6.4
287.20142	2.5
295.24197	8.2
299.20078	4.3
301.21780	1.8
309.25821	1.7
313.21582	2.3
321.25775	2.7
325.21936	1.8
327.23233	3.0
335.27338	2.0
354.41422	1.2
355.26257	2.0
367.26627	1.4
381.27826	2.3
391.33609	35.0
409.34628	2.7
419.33328	3.4
437.34222	100.0
438.34586	3.3
461.06378	1.3
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
55.05509	7.1
57.07082	3.6
57.83012	0.7
58.78573	0.8
65.03923	1.0
67.05505	7.2
69.07077	9.5
70.86382	0.9
70.86724	1.7
79.05500	6.4
81.07060	18.6
83.08614	5.7
91.05489	8.9
93.07050	16.8
95.08611	35.7
97.10149	2.1
97.52309	0.7
105.06298	1.0
105.07032	25.3
107.08598	27.2
109.06515	0.9
109.10159	16.3
117.07031	4.7
119.08587	42.3
121.10152	20.9
123.11710	9.3
129.07008	1.6
131.08572	10.4
133.10138	28.0
134.10585	0.7
135.11687	16.5
137.06000	1.2
137.13263	3.5
139.07536	1.3
143.08543	4.3
144.09325	2.0
145.10121	22.6
147.11693	25.2
149.13261	9.6
151.14803	0.9
153.09151	2.6
157.10123	4.2
158.10933	2.3
159.11703	23.0
160.12524	2.3
161.13264	15.6
163.14828	6.9
169.10132	1.1
171.11734	3.4
173.13260	9.1
175.14830	20.9
175.16263	1.4
177.16408	10.8
183.11671	2.1
185.13257	2.4
187.14839	7.0
189.16396	42.1
191.17982	6.8
197.13266	0.9
199.14833	3.6
201.16399	36.5
203.17969	47.4
205.19482	1.4
207.17319	0.9
211.14854	1.7
213.16388	6.7
215.17975	18.6
217.19572	5.0
219.17535	1.0
221.15392	1.1
223.14886	0.8
225.16402	1.4
227.17981	3.4
229.19580	6.7
233.15529	0.9
235.16949	3.0
239.17975	1.5
241.19606	3.5
243.21051	3.0
247.16891	4.2
249.18541	2.0
253.19603	1.5
255.21135	2.6
257.22473	0.9
259.16946	2.5
261.18607	3.7
267.21130	1.7
269.22733	2.1
273.18527	1.9
281.22678	1.0
285.18649	1.0
287.20120	1.3
289.21988	0.9
299.20129	2.2
301.21735	0.9
313.21722	1.4
315.23309	1.3
335.27469	1.2
341.24762	1.1
349.29059	1.0
353.24826	1.5
381.28052	1.9
391.33618	12.9
394.28561	2.0
419.33176	2.5
437.34201	100.0
438.34454	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38151	1.1
53.03940	2.6
53.58129	1.2
55.05517	8.9
56.96571	1.9
57.07074	3.4
65.03933	1.9
67.05509	13.2
69.07071	15.2
69.99380	3.6
69.99788	2.9
71.08597	1.3
71.85001	1.1
72.36258	1.1
73.38525	1.2
79.05493	13.5
81.03419	2.8
81.07060	37.0
83.08620	6.3
91.05479	15.8
93.07047	23.8
94.89880	1.2
95.04997	1.8
95.08610	55.0
97.06550	1.4
97.10176	2.9
105.07039	30.8
107.08600	35.1
107.09299	2.1
107.27613	1.2
109.10153	31.4
111.11750	1.3
112.10879	1.2
117.07034	4.7
117.19437	1.1
117.65185	1.4
119.04900	1.9
119.08585	50.2
121.06544	2.2
121.10150	30.9
121.11039	1.8
123.08115	2.2
123.11712	12.0
128.06314	2.9
129.07028	2.1
131.08568	16.3
133.10132	36.9
133.11095	2.3
134.24350	1.4
135.08090	1.8
135.11676	17.3
137.05983	13.5
137.13274	7.8
139.07567	1.3
143.08571	6.6
145.10138	28.3
147.11694	23.5
147.12794	1.7
149.13243	16.6
149.14183	1.4
151.11307	1.3
153.09154	3.2
155.08577	2.3
156.09390	2.1
157.10161	8.5
158.10910	1.6
159.11693	32.7
161.13240	17.6
163.03940	3.6
163.14850	9.0
169.10118	3.5
171.11687	6.9
173.13248	18.4
173.14439	1.5
175.11238	1.4
175.14848	15.8
177.16399	15.8
177.17778	1.4
179.10683	2.3
183.11642	5.8
185.13254	7.2
186.14113	2.0
187.14822	13.4
189.16385	43.9
191.17938	10.2
195.11703	2.5
195.47849	1.3
197.13361	4.6
199.11348	1.5
199.14816	8.2
201.12947	1.3
201.16380	35.8
203.17970	29.3
203.19745	1.9
205.19630	2.5
207.17375	1.8
209.13274	2.8
211.14980	3.8
213.16374	11.2
215.17955	25.5
215.19879	1.5
217.15916	3.6
217.19572	5.2
219.17444	1.7
221.03061	5.7
223.14940	2.3
225.16431	3.7
227.18048	4.8
229.16096	1.8
229.19565	7.3
231.17543	2.3
235.17038	1.5
237.16428	2.4
239.17900	5.9
241.19637	5.6
243.21170	4.9
245.15396	2.7
246.88252	1.3
247.16954	8.4
253.19592	3.9
255.21199	4.8
257.05225	2.2
257.15323	1.4
259.17062	4.4
261.18649	2.5
267.21274	3.9
273.18661	1.9
279.21075	2.2
281.22537	1.8
283.24167	1.4
285.18552	3.1
287.20203	3.7
295.24258	2.2
299.20221	3.7
301.21622	1.6
335.27582	1.8
367.26563	1.7
377.07117	2.5
391.33640	24.8
395.08328	8.0
395.20923	1.9
395.29269	1.5
419.33542	4.7
437.34348	100.0
438.34882	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	437.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.0
55.05521	14.7
56.96556	5.0
57.03445	2.5
57.07067	6.7
66.41057	1.9
67.05520	23.2
69.07073	22.0
70.60887	3.3
70.61214	3.4
73.15092	2.1
77.03904	2.3
79.05510	13.2
79.76527	2.1
81.07063	62.4
83.08628	11.5
84.08140	2.2
84.74879	2.0
85.02921	3.3
91.05483	19.5
93.07053	35.6
95.04957	3.8
95.08614	85.3
97.06532	2.6
97.10180	6.6
98.21351	2.3
105.07041	38.3
107.08603	55.5
109.01650	2.0
109.06490	3.7
109.10163	47.8
110.91667	2.2
117.07014	7.7
119.08591	71.3
121.06554	9.8
121.10152	35.7
123.11715	29.9
129.07036	4.7
131.08582	22.2
133.10150	34.4
135.11714	29.6
137.13258	20.6
143.08607	9.6
145.10136	39.9
147.11714	24.9
149.13272	33.2
149.14374	3.3
151.07553	2.4
151.11189	2.5
151.14836	5.7
153.09106	3.5
156.09340	3.3
157.10146	9.7
158.10910	2.4
159.08092	2.7
159.11711	26.4
161.13275	17.2
163.03804	2.8
163.07594	4.6
163.14870	8.4
169.10153	6.4
171.11697	10.7
173.13264	22.4
175.14851	16.5
177.09192	2.5
177.16376	11.6
183.11760	6.7
185.13301	8.0
187.14836	15.4
189.16393	16.3
191.17953	47.8
197.13287	6.9
199.14830	16.7
201.16383	74.1
203.17984	23.3
205.12274	2.8
205.19550	9.2
211.14902	3.5
213.16385	19.9
215.14346	3.7
215.17871	9.5
217.19576	6.9
219.13847	7.0
219.17450	4.3
225.16393	4.0
227.18024	4.3
229.15939	2.1
229.19499	3.8
231.20976	2.8
233.15379	4.7
239.17963	5.6
241.19601	5.8
243.21159	3.2
245.15443	8.3
245.22733	2.4
247.16968	15.1
253.19592	6.2
255.21127	10.4
257.22629	4.9
259.16934	13.7
269.22614	2.7
271.17014	3.4
273.18494	5.9
285.18542	6.6
287.20068	9.1
295.24020	2.9
299.20108	9.6
313.21765	3.7
391.33643	21.5
437.34241	100.0
438.34894	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	438.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
59.03363	0.2
70.10037	1.3
72.33271	0.3
77.03901	0.6
80.57371	0.3
85.19099	0.2
91.05479	4.3
93.07053	7.0
95.04958	1.3
96.58456	0.3
103.05477	5.3
105.04532	0.6
109.63538	0.3
121.06510	100.0
122.06835	0.8
123.07658	0.3
149.02382	0.6
181.04961	1.0
191.03415	0.7
200.46327	0.3
223.06010	1.7
265.07202	0.3
391.93338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81507	1.0
55.05518	48.6
56.05026	2.2
58.99595	11.9
60.04253	1.6
60.04528	14.2
60.83146	1.1
61.01144	1.8
68.75671	1.1
70.02952	3.4
71.44651	1.7
72.83126	1.1
73.01137	1.3
74.00663	4.5
76.02243	6.6
79.05486	1.9
81.07061	2.7
83.06100	4.5
83.08628	79.6
84.04511	25.2
86.99057	9.4
88.04002	16.2
100.02215	8.2
101.09640	4.3
106.05041	9.1
107.08556	2.5
115.05800	2.7
118.03232	4.2
118.22370	1.2
128.01678	16.5
129.06570	7.1
129.07393	4.9
130.04996	6.0
141.07317	2.0
142.03227	2.1
146.02724	43.5
153.06590	1.9
154.22778	1.3
156.01147	3.2
157.06059	1.6
159.08409	90.3
164.03818	2.0
174.02226	43.4
175.07175	1.7
176.11076	18.4
176.12538	2.1
181.05984	1.9
187.07915	2.2
192.03270	100.0
199.07059	1.4
257.05893	3.4
268.09274	6.0
274.11115	6.4
286.10410	1.5
291.11755	2.5
292.12158	55.7
305.15384	1.8
309.14801	41.5
333.14844	25.7
344.47174	1.4
420.18170	2.3
438.18994	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	438.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.05516	48.9
56.05050	2.5
56.96574	1.2
58.99593	11.2
60.04527	13.4
61.01147	2.3
61.99809	1.1
62.58118	0.9
66.73466	1.0
69.03440	2.0
70.02953	2.3
70.06595	2.5
70.62947	3.6
71.04989	1.8
74.00668	3.6
75.02689	1.3
76.02237	9.6
81.03482	1.3
81.07073	2.8
83.06125	3.1
83.08629	78.9
84.04513	28.2
85.01154	2.6
85.02914	7.0
86.99058	11.1
88.03998	18.7
91.05495	1.4
97.02911	2.5
98.97569	1.8
100.02216	7.6
101.02838	1.0
101.09662	3.0
105.00094	2.1
106.05050	10.4
107.06151	0.9
107.08667	2.4
110.97552	1.3
112.07629	1.9
113.04290	1.0
115.05780	2.9
118.03260	4.2
121.06554	1.2
126.61743	1.1
127.03965	1.4
128.01680	15.2
129.06529	8.4
129.07361	3.1
130.05002	7.7
139.68242	1.1
140.07077	1.2
141.07378	3.1
142.03249	3.4
145.05017	1.0
146.02725	41.8
147.04376	1.4
153.06607	1.8
156.01141	2.8
157.06078	1.7
158.08061	1.6
159.08406	94.5
164.03763	2.6
174.02223	51.9
175.07169	1.6
176.11076	16.3
179.04776	1.3
187.07988	1.7
192.03275	100.0
195.03479	1.3
199.07172	2.4
205.09039	2.9
207.06551	1.5
209.06052	1.4
219.01816	1.6
243.07085	2.2
257.05966	2.6
268.09311	5.4
274.11075	5.9
276.12421	1.5
286.10330	1.4
291.11673	2.9
292.12164	54.2
309.14832	40.4
333.14816	28.1
339.07578	2.9
357.08630	1.3
382.30466	1.2
386.88376	1.2
420.18088	1.9
438.19223	8.3
439.15976	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	438.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
69.44448	0.4
69.44800	3.5
77.03912	0.5
81.03374	0.5
81.07043	0.5
83.10408	0.4
91.05492	4.7
93.03375	0.5
93.07048	6.3
95.04977	1.6
98.21468	0.8
101.79943	0.5
103.05481	6.2
105.04557	0.6
106.53394	0.4
112.08964	0.4
112.11257	0.8
114.59940	0.4
118.99046	0.5
120.56524	0.5
121.06512	100.0
122.06831	0.8
122.16893	0.4
149.02361	1.6
164.07088	1.6
179.51595	0.4
181.04979	1.2
191.03287	0.6
194.54388	0.5
200.27513	0.5
209.04587	0.6
223.06075	0.5
241.07082	0.6
255.08588	0.7
283.08127	1.4
450.10098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
53.78886	0.4
55.01855	0.4
56.96579	0.4
69.78059	2.1
73.80264	0.3
84.08141	0.5
84.72539	0.4
85.31770	0.4
91.05476	4.7
93.07051	7.2
95.04968	1.3
97.02880	0.4
98.21445	0.4
98.97569	0.4
103.05480	5.5
107.83227	0.4
112.11240	0.5
121.02888	1.1
121.06514	100.0
122.06875	0.8
123.00858	0.5
137.05960	0.7
146.05927	0.4
149.02342	1.4
164.07066	2.1
181.04994	1.5
186.59349	0.4
209.04482	0.9
214.08397	4.2
223.06075	0.8
229.20865	0.4
236.09196	3.9
241.06967	0.5
255.08794	0.7
258.07382	9.3
283.08093	0.8
316.83810	0.5
385.37921	0.4
438.15271	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	3.1
57.30304	1.9
58.60102	1.9
67.05526	2.2
71.16990	3.4
81.07064	4.5
84.08141	2.1
91.05470	5.3
93.07041	6.6
94.88812	1.9
95.08597	3.7
98.97600	2.2
103.05455	5.9
103.45053	1.8
107.08601	2.3
110.10438	2.4
111.18550	2.0
112.11233	3.8
121.06512	100.0
149.02284	2.7
167.03378	2.2
181.04944	4.5
223.06001	4.2
228.23166	4.4
237.07349	2.0
438.19800	3.3
438.28470	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1427
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
52.07480	0.4
61.02933	0.5
69.03431	0.8
69.40575	3.2
73.02894	0.7
85.02895	2.1
96.92252	1.4
97.02882	1.1
98.97594	3.7
101.00900	1.0
103.00604	0.4
112.89597	0.7
116.98614	0.7
119.01924	1.8
119.04933	0.4
127.03933	0.9
133.03487	1.4
143.01921	0.8
145.03523	0.6
147.04424	0.9
157.03513	1.3
158.99651	0.5
161.01277	0.7
161.02989	1.4
163.03960	1.5
164.04324	0.6
169.03490	0.4
175.04523	0.8
179.02238	1.0
187.04558	0.7
195.01617	0.6
201.06038	0.6
221.03432	0.7
223.06679	1.0
225.06294	0.6
238.90530	0.5
239.04393	1.7
265.07776	0.9
275.02222	0.7
275.06158	0.6
277.08969	25.3
295.08786	1.0
340.98615	1.3
347.09485	0.8
361.02499	1.0
391.12582	0.5
403.11206	3.8
439.14270	100.0
440.14343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1578
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
54.00079	0.3
60.49849	0.3
61.82288	0.3
69.32000	0.9
69.32418	1.8
89.03896	0.3
97.02873	0.4
97.62287	0.3
98.97612	0.6
104.34541	0.3
116.37278	0.4
117.03332	0.3
135.04384	0.6
137.05966	0.5
145.02852	0.4
161.68881	0.3
163.03914	2.3
187.34734	0.4
207.57190	0.3
307.11478	1.4
318.06857	0.4
327.07520	0.5
439.15805	100.0
439.22528	5.0
440.16205	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.158
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
51.18997	0.4
57.03440	0.5
58.66465	0.3
60.95827	0.4
69.03425	0.8
69.66693	2.3
70.06592	0.6
73.02920	0.4
82.03980	0.4
83.01096	0.5
84.01910	0.5
85.02908	1.1
85.06558	0.4
95.01096	2.0
96.01868	0.9
97.02879	0.4
98.97622	0.5
110.73272	0.4
111.00593	0.6
112.01374	1.0
112.63345	0.4
113.02137	2.3
116.98670	0.4
118.49912	0.4
121.02890	0.4
131.04915	0.4
137.05994	0.5
157.04773	0.6
181.04933	0.4
185.04250	4.2
194.08224	0.4
201.03748	1.3
202.05989	3.6
203.05338	0.8
224.62990	0.4
243.08565	0.6
253.86263	0.4
259.07901	0.7
277.10773	0.6
277.15564	0.5
295.06097	0.6
307.06134	0.5
322.08661	0.4
325.07104	1.6
365.10205	0.5
373.13156	0.4
391.08008	0.5
421.09296	0.9
439.15814	100.0
440.16205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05500	6.3
57.07074	2.5
67.05504	8.3
69.03418	4.7
69.07079	4.4
70.85641	3.3
70.85984	2.1
71.04985	3.6
79.05506	10.9
80.37511	1.6
81.03419	2.1
81.07061	19.0
83.04984	9.6
83.08640	2.9
85.02892	6.9
85.06538	3.3
91.05458	9.2
93.07059	19.1
95.04961	2.7
95.08599	14.4
97.06551	2.2
99.79401	1.5
103.05439	3.0
105.07031	12.5
107.04965	2.7
107.08604	16.7
109.06499	4.4
109.10152	13.8
111.08081	2.6
113.09630	5.6
119.08582	22.1
121.06509	61.4
121.10144	22.4
122.06830	31.7
123.08031	2.7
123.11708	6.6
125.09640	4.1
131.08507	3.2
131.17650	1.6
133.06444	2.0
133.09229	3.2
133.10143	35.1
135.08060	2.4
135.11722	8.6
137.09619	21.2
139.11192	5.1
145.10098	3.1
147.08037	3.8
147.11697	3.9
149.09605	3.2
149.13268	4.6
151.11177	10.5
159.11780	2.7
161.09630	6.0
161.13254	6.1
163.11177	2.0
165.12785	1.9
173.13322	2.6
175.11214	2.3
175.14844	22.0
201.16418	5.7
203.14334	8.5
212.98578	2.1
217.15958	2.4
217.19594	2.2
241.19516	3.1
254.31186	2.1
259.20599	29.3
277.21640	100.0
278.21933	2.0
304.32376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.97991	1.5
53.03947	2.0
55.05515	13.7
56.98291	1.6
57.07078	6.8
65.03951	1.8
67.05509	21.9
69.07072	28.4
69.42661	14.4
71.05009	7.9
71.08646	2.6
72.04530	2.8
79.05485	14.1
81.06596	2.7
81.07062	45.1
81.07520	2.5
83.08630	10.6
87.04477	3.0
89.06052	8.3
91.05474	15.3
91.05917	1.5
93.07044	28.0
93.07558	2.6
95.04983	2.8
95.08609	75.9
97.06552	5.1
97.10190	7.3
98.20886	5.2
98.21483	3.3
105.07041	33.2
107.08601	50.1
107.09288	3.0
107.93852	1.9
109.06533	4.6
109.10163	43.6
110.10526	1.7
111.08132	1.8
111.11749	7.3
115.07610	7.1
117.07040	5.4
119.08585	51.7
121.06561	2.4
121.10150	42.8
121.11037	2.3
123.08088	3.4
123.11717	23.2
125.09637	2.4
128.06297	2.9
129.07043	3.6
129.66647	1.5
131.08568	15.9
131.86122	1.8
133.08647	4.1
133.10138	35.0
135.08133	2.7
135.11699	25.5
137.09682	5.1
137.13252	11.5
142.07863	2.9
143.08594	7.3
145.10121	27.5
145.11137	2.4
147.11693	22.1
149.09706	3.5
149.13269	19.2
155.08537	2.8
157.10139	13.4
159.11682	25.7
161.09702	5.9
161.13277	20.0
163.11205	3.8
163.14815	11.6
165.12782	3.7
167.10690	2.8
169.10158	4.5
170.10977	2.7
171.11681	14.0
171.12953	1.7
173.13283	21.0
175.11272	3.4
175.14848	12.0
177.12761	3.0
177.16362	8.6
179.14395	3.2
183.11778	5.7
185.13254	10.3
187.14806	14.9
189.12917	1.8
189.16399	23.1
191.14420	2.3
191.17960	23.1
191.19565	2.0
193.15968	3.9
195.11957	2.1
197.13397	4.7
199.14865	9.7
201.16383	11.0
203.14337	5.9
203.17993	13.5
205.15996	3.6
205.19638	4.9
207.17572	3.1
209.13293	2.4
211.14861	3.9
213.16437	8.6
215.17949	8.5
217.15952	5.7
217.19461	9.1
219.17496	4.9
221.15446	5.1
225.16457	3.0
227.18002	3.5
229.19458	8.3
231.17502	4.2
231.21136	4.4
233.15314	2.0
233.19046	3.2
235.16919	27.1
239.14984	6.1
239.18109	3.5
240.15227	4.2
241.19617	6.1
243.17453	2.0
243.21152	4.0
245.19279	2.5
245.22751	5.0
253.19681	4.3
255.21165	3.8
257.18906	2.7
259.20670	1.7
261.18707	4.9
265.19791	3.0
267.21246	4.1
269.22913	2.3
271.20752	1.9
275.20273	3.0
285.22287	6.6
295.24478	1.8
309.25806	2.6
311.27515	4.9
319.24347	2.1
325.25815	2.1
325.28973	12.8
353.32208	3.2
395.33212	2.0
403.33652	17.7
421.34714	43.3
439.35950	100.0
440.36099	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	439.3575
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05497	5.9
56.05619	1.2
57.07077	3.1
62.82634	1.4
67.05503	11.9
69.07072	12.9
69.22323	1.2
69.22648	13.9
71.96725	1.2
79.05493	8.3
81.07060	27.8
83.08623	6.5
89.06046	1.7
91.05458	9.2
93.07047	23.0
95.08609	32.6
95.14544	1.1
97.10183	3.3
102.01888	1.3
105.07033	20.9
107.08597	40.3
109.06539	1.5
109.10164	23.3
111.08113	1.5
117.07056	1.8
119.08594	25.8
121.10152	33.8
123.08055	2.7
123.11712	13.3
123.20770	1.2
129.07013	2.6
131.08559	6.6
133.10149	19.2
135.08083	2.1
135.11699	16.3
137.09615	1.8
137.13286	3.5
139.11162	1.5
143.08574	5.3
145.10139	13.1
147.11699	16.0
149.09703	2.4
149.13260	25.4
156.09360	2.5
157.10118	11.5
159.11725	15.0
161.13271	15.8
163.11211	2.6
163.14848	23.3
165.12766	2.7
169.10138	3.8
171.11688	13.0
173.13293	11.6
175.14821	8.1
177.16423	15.7
179.14336	2.9
183.11757	5.6
185.13232	8.9
187.14832	8.4
187.26404	1.5
189.12892	2.4
189.16483	7.2
191.17952	4.8
195.11702	1.7
197.13280	4.3
199.14807	6.6
201.16411	8.0
203.18027	3.8
207.11725	1.9
211.14882	3.4
213.16408	5.4
215.17998	10.7
217.15845	2.8
217.19588	2.1
223.14894	1.5
225.16394	3.7
227.17953	6.1
229.19614	2.2
235.17039	1.8
237.16426	1.7
239.17957	5.7
241.19566	9.2
243.21098	1.9
245.19049	4.3
253.19676	3.0
255.21114	3.2
257.22772	1.6
259.20651	8.4
263.20032	3.8
265.19519	2.7
267.21194	4.2
269.22708	5.2
270.19101	1.7
271.20636	4.9
271.24387	1.6
275.20099	2.2
277.21658	15.1
281.22720	2.9
283.20566	3.5
283.24091	2.9
285.22372	2.6
285.25659	2.7
293.22571	2.0
295.24094	1.5
301.21744	3.9
333.25732	2.7
403.33539	21.5
421.34671	53.1
421.40335	2.7
425.04758	1.5
439.35779	100.0
440.35925	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	439.3576
Annotation	13,28-Epoxy-11-oleanene-3-one
Peak:m/z	Relative Intensity
53.03952	1.2
55.05515	8.0
57.07072	3.1
67.05509	9.7
69.07074	12.5
69.46130	1.1
69.56475	8.9
71.04997	2.3
72.74944	1.1
79.05492	12.3
81.07063	26.4
83.04990	2.8
83.08622	5.4
91.05481	12.6
93.07046	24.1
95.04967	12.9
95.08609	39.8
96.47409	1.1
97.06515	2.3
97.10172	2.8
98.21583	1.4
98.59449	1.3
105.07032	26.1
107.08590	33.2
109.06554	7.6
109.10155	21.5
111.08108	2.1
115.05503	1.3
117.07025	6.2
119.08590	25.8
119.09451	1.2
121.06541	3.0
121.10146	26.8
122.19727	1.2
123.08089	3.6
123.11710	11.4
125.09668	1.4
128.06201	1.2
129.07019	2.6
130.07835	2.0
131.08578	14.8
133.10135	17.1
135.08026	2.3
135.11694	24.9
137.13266	5.4
143.08580	7.6
144.09381	1.9
145.10136	16.6
147.11696	14.9
149.09648	3.7
149.13275	9.8
155.08620	1.9
157.10150	12.6
159.11682	17.6
161.13264	12.3
163.14891	8.1
169.10152	2.4
171.11739	9.3
173.13254	16.7
175.11182	1.6
175.14827	9.9
177.16415	7.4
179.14348	3.3
183.11758	3.7
185.13277	5.8
187.14827	11.4
189.16408	12.0
191.14401	3.0
191.17981	17.4
197.13272	2.4
199.14836	7.8
199.16420	1.3
201.16383	10.4
203.18004	11.4
205.19563	2.5
207.17532	5.0
211.14717	1.5
213.16495	6.7
215.17926	6.0
217.15927	10.9
217.19589	3.5
219.17441	2.9
220.80431	1.5
225.16402	2.2
227.18036	4.2
229.15863	2.4
229.19591	3.6
231.17403	7.1
233.18900	1.5
241.19548	1.9
243.17682	1.5
245.19157	1.8
253.19577	1.7
257.22720	1.4
259.20685	2.9
267.20996	2.8
269.22659	1.3
278.47522	1.3
377.31940	1.8
391.33578	2.4
395.33127	3.8
403.33160	2.6
409.34656	2.5
421.34930	18.3
439.35846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03946	3.7
55.05509	10.6
55.81211	2.8
57.07078	4.8
59.04987	3.2
59.24615	2.4
67.05508	24.2
69.03428	4.5
69.07075	20.9
71.04956	2.5
71.39562	5.7
79.05495	20.8
81.07063	41.7
83.05058	2.9
83.08634	9.2
85.02921	3.0
86.95286	2.4
86.96449	2.6
91.05486	18.8
93.07053	45.2
93.39011	2.8
95.04978	3.2
95.08615	57.3
97.06539	3.4
97.10182	7.4
99.08096	3.3
105.07038	36.0
107.08605	54.3
109.06528	4.6
109.10163	34.4
114.19740	2.4
115.05466	3.1
117.07062	6.2
119.08597	37.7
121.06561	3.6
121.10161	58.8
123.08068	4.5
123.11727	15.1
131.08618	9.3
133.10133	38.1
135.11694	23.4
137.13254	4.0
143.08603	9.8
145.10161	22.8
147.11707	19.7
149.13292	32.9
151.11234	4.6
156.03670	4.2
156.09312	3.3
157.10204	12.1
159.11719	22.7
161.13251	20.4
163.11325	3.4
163.14821	25.7
169.10208	6.2
171.11716	19.0
173.13214	16.3
174.30206	2.8
175.14915	13.3
177.12959	3.4
177.16412	26.3
183.11774	9.0
185.13274	14.0
187.14816	14.2
189.16428	15.1
191.18007	9.8
197.13322	6.8
199.14999	6.6
201.16409	13.7
203.14275	4.3
203.18039	13.6
205.19749	3.8
209.13380	5.7
209.15155	2.7
211.14983	4.2
213.16614	6.4
215.17947	12.5
217.19560	4.3
219.17365	3.1
223.14882	2.6
225.16406	4.4
227.18097	11.2
229.19582	5.4
231.17442	3.4
231.21188	3.4
239.18042	8.2
241.19545	13.6
245.19081	6.2
253.19666	4.5
259.20682	6.2
263.20255	7.1
265.19608	6.2
267.21231	4.1
269.22809	8.5
277.21658	17.9
283.20602	6.1
283.24045	3.1
285.25778	3.4
301.21860	9.7
333.25848	4.1
358.16232	12.4
358.66904	4.1
371.22333	4.5
394.28473	3.0
403.33636	26.4
421.29343	5.3
421.34714	71.2
439.26044	6.0
439.36002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3578
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03938	1.1
55.05523	5.6
57.07082	2.6
67.05505	8.3
69.07077	9.8
69.48606	6.0
79.05492	6.1
81.07063	30.2
83.04988	0.9
83.08636	3.3
91.05475	8.2
93.07053	14.0
95.04996	1.0
95.08613	30.8
97.10182	2.6
98.21573	1.0
105.07037	17.4
105.07677	1.3
107.08603	20.7
107.09303	1.5
109.06537	1.9
109.10165	17.4
110.31258	0.7
111.11742	1.2
117.07064	2.9
119.08588	20.4
121.06573	1.3
121.10151	18.9
123.08115	1.9
123.11710	8.1
125.09676	1.2
128.06242	1.1
129.07054	2.2
131.08582	6.4
133.10129	13.0
135.11719	13.2
137.09613	1.4
137.13264	5.8
143.08571	4.5
145.10135	11.4
147.11700	12.5
149.09624	1.0
149.13283	8.7
155.08606	1.8
157.10129	8.4
157.11084	0.7
159.11714	10.3
161.09673	2.2
161.13268	14.2
163.14862	5.2
167.08908	0.8
169.10184	3.4
170.10938	0.8
171.11700	7.6
173.13271	8.3
175.11172	1.3
175.14832	7.9
177.12791	1.6
177.16411	5.1
179.14391	1.3
181.10179	0.8
183.11780	3.6
185.13301	5.3
187.11264	1.1
187.14874	6.0
189.16368	7.6
191.14360	1.4
191.17955	7.2
195.11700	1.3
197.13306	3.3
199.14825	5.1
201.12776	0.9
201.16350	6.1
203.14374	1.2
203.17969	10.7
205.15981	1.3
205.19666	1.3
207.17523	1.8
209.13347	1.9
211.14909	3.3
213.16408	4.8
215.17926	3.9
217.15976	2.5
217.19576	1.7
219.17599	1.8
223.14822	1.6
225.16426	1.8
227.18039	3.5
229.16019	0.9
229.19598	3.7
231.17581	2.3
231.21100	1.3
233.19106	1.6
237.16399	1.5
239.17960	2.8
241.19600	3.7
243.17519	1.0
243.21208	2.9
245.19115	2.1
251.18050	1.4
253.19579	2.0
255.21225	3.2
257.22516	1.2
259.20651	2.2
261.22244	1.3
265.19528	1.6
267.21237	3.7
269.19070	0.9
269.22791	2.8
271.20505	1.3
273.22287	2.2
279.20944	1.4
281.22614	2.7
283.24188	0.9
285.22192	3.2
287.23917	2.3
288.01398	1.0
293.22742	1.9
295.24335	1.6
297.22253	1.1
299.23795	2.2
311.23853	1.3
313.25385	1.2
322.72849	0.9
325.25253	1.2
353.24826	1.2
365.28271	1.1
375.30542	1.2
391.33789	2.5
393.31104	1.3
393.35498	1.2
401.62994	0.8
403.33633	7.5
409.34662	2.6
421.29160	1.4
421.34763	36.2
439.35886	100.0
440.36096	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	439.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.5
57.07080	2.6
67.05516	9.3
69.07079	12.3
70.28120	3.6
75.61641	1.3
79.05482	5.9
81.07067	17.5
83.08639	9.0
91.05491	6.2
93.07050	18.4
95.08617	51.5
96.08974	1.8
97.10152	4.8
103.05447	1.3
105.07042	18.4
107.07875	1.7
107.08606	38.0
109.10165	29.0
119.08588	38.7
121.10149	29.4
123.11707	9.8
131.08534	3.7
133.10144	31.1
135.11707	21.9
137.13228	3.6
145.10126	5.8
147.11707	28.7
149.13278	14.6
151.07649	1.5
153.09114	6.1
159.11650	4.4
161.13280	16.8
163.14839	14.9
167.10698	3.6
173.13278	2.9
175.14832	11.6
177.16356	6.9
179.10704	1.4
187.14827	3.4
189.16400	45.7
191.15379	1.6
191.16182	2.1
191.17963	80.1
201.16414	10.5
203.17973	100.0
205.19547	17.8
207.17441	2.3
215.17955	4.8
217.19533	11.2
221.15388	1.5
221.18985	5.1
229.19455	2.9
231.17580	2.7
231.21082	5.9
235.16975	7.0
245.22650	2.2
247.17188	2.3
249.18521	25.1
259.17078	1.6
261.18387	1.8
393.35138	8.1
439.35764	34.2
439.41708	2.4
441.25046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17369	0.7
51.90611	0.9
55.05508	6.5
57.07079	8.6
58.93481	0.7
64.86221	0.7
67.05176	1.2
67.05510	19.1
67.49854	0.8
69.07070	13.6
71.01443	0.9
71.01782	1.4
71.08631	1.7
79.05515	7.0
81.07065	72.7
83.08630	8.3
85.10132	0.8
91.05486	2.8
93.07059	10.1
95.08614	100.0
97.10159	3.5
105.07042	8.1
107.08602	10.7
109.10166	38.0
109.10930	1.6
111.11716	1.4
117.07020	1.4
119.08600	6.0
121.10162	8.4
123.11719	33.4
129.06998	1.8
131.08589	5.7
133.10144	6.2
135.11725	5.2
137.13264	55.9
143.08557	3.2
144.03410	0.9
145.09094	1.0
145.10129	6.5
147.11726	4.4
149.13316	5.0
150.26227	0.8
151.14839	5.0
153.09184	1.1
157.10126	3.4
159.11722	6.7
161.13293	2.7
163.14818	2.0
169.10080	0.9
171.11690	6.6
173.13255	5.5
175.14880	4.1
177.09012	0.9
177.16315	2.4
179.17963	11.7
185.13268	4.1
187.14838	6.1
189.16347	2.0
191.10686	1.0
191.17999	2.0
193.15996	0.8
193.19571	1.7
197.79646	0.9
199.14864	7.0
201.16405	7.8
203.17978	2.6
205.19545	1.9
213.16394	9.0
215.17944	9.0
217.12233	1.2
217.19507	1.1
219.13727	1.2
227.17856	3.0
229.19640	0.9
231.13802	1.8
233.15468	0.9
241.19496	7.9
243.21097	8.0
245.15370	1.8
247.16905	1.4
255.21124	4.9
257.22571	1.0
259.16986	9.3
261.18594	1.0
269.22656	5.9
273.18561	1.0
287.20059	3.7
289.21606	1.6
301.21567	1.1
315.23196	1.2
354.95901	0.8
393.35178	22.6
439.35736	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	439.3575
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05514	14.9
56.43138	2.1
57.07082	10.2
64.18639	1.7
67.05512	28.4
69.03457	2.6
69.07067	21.3
71.05020	2.3
71.08637	2.4
71.54788	3.6
74.20791	2.0
79.05499	19.0
81.03384	1.8
81.06583	3.6
81.07066	73.7
83.08620	14.7
85.10197	2.1
89.06023	4.2
91.05488	13.0
93.07053	31.8
95.08617	100.0
97.02910	2.1
97.06538	1.9
97.10201	7.3
105.07047	27.7
107.08605	50.3
107.09290	3.5
109.06594	2.1
109.10169	58.9
111.11744	2.9
111.45369	2.0
117.07062	6.6
119.08590	48.8
121.10159	38.9
123.08088	2.9
123.11734	37.4
125.09690	2.5
129.06992	2.8
131.08595	12.9
133.08669	4.0
133.09172	3.0
133.10141	31.8
135.08098	2.5
135.11711	29.2
137.06010	2.2
137.13268	35.2
143.08618	5.5
145.10178	23.6
147.11700	28.6
149.13263	23.4
151.14859	2.4
153.09201	3.0
157.10216	6.4
159.11713	18.1
161.13257	15.4
163.07440	1.8
163.11264	2.2
163.14839	14.8
165.09227	4.2
165.12791	2.0
167.10753	2.9
169.10178	2.1
171.11769	7.3
173.13272	12.6
175.14876	14.8
177.16458	7.7
179.14339	2.2
179.18060	6.0
183.11827	2.2
185.13330	4.4
187.14803	12.0
189.16415	28.4
191.17970	35.6
191.19588	3.2
197.13345	3.4
199.14969	6.0
201.16356	15.2
203.17972	51.3
203.19685	3.6
205.16022	5.1
205.19504	15.5
207.17462	3.7
213.16483	8.9
215.17979	35.9
217.19508	9.8
219.17459	10.5
227.18054	2.8
229.19583	4.2
231.17616	6.1
231.21104	3.0
233.15483	2.3
235.16907	2.2
239.14931	3.9
241.19609	3.2
243.21115	9.0
245.22777	3.3
247.16942	4.8
249.18689	5.9
255.21164	4.2
257.22769	4.2
259.17017	21.8
259.19693	2.4
259.20624	2.1
261.18661	26.8
261.21872	3.5
269.22845	3.8
271.20789	2.3
273.18607	2.3
277.21860	4.5
285.22104	3.4
289.21600	6.0
315.23312	2.4
393.35162	9.6
403.34451	1.9
421.35080	14.2
439.26633	2.7
439.36002	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3577
Annotation	13,28-Epoxy-11-oleanene-3-one
Peak:m/z	Relative Intensity
52.26127	0.7
53.03940	1.4
54.52407	0.7
55.05511	6.5
56.06280	0.6
56.96576	0.7
57.07069	2.7
64.18893	0.7
65.03963	0.8
67.05505	10.4
69.03432	2.2
69.07072	12.1
69.07413	1.1
69.38991	0.6
69.61340	1.1
69.61749	4.1
72.36893	0.7
77.72816	0.7
79.05499	7.4
81.03405	0.7
81.07061	23.5
81.07523	1.5
82.07404	1.1
83.04999	1.6
83.08633	5.1
83.81657	0.7
85.02909	0.8
85.06610	1.3
91.05481	10.5
93.07047	22.7
95.04982	2.8
95.08612	34.2
97.02898	3.4
97.10188	2.4
98.97617	1.7
99.08107	0.9
103.05487	1.1
105.07037	18.3
107.08597	32.1
109.06563	2.0
109.10159	20.0
111.08086	1.2
113.09627	0.8
117.07057	3.0
119.08584	25.4
120.08966	0.8
121.06522	4.9
121.10148	23.3
121.91489	0.7
122.06874	2.0
123.08087	1.5
123.11702	14.5
125.09637	1.7
125.13287	1.0
128.06212	0.9
129.07050	1.9
131.08588	6.1
133.02942	0.8
133.10135	19.2
133.11082	1.3
135.08020	3.9
135.11700	16.7
137.06053	2.3
137.09633	1.3
137.13269	3.9
141.06956	0.9
142.07805	1.0
143.08578	4.0
145.06451	1.2
145.10129	11.0
146.10928	0.8
147.04433	0.8
147.08109	1.2
147.11699	14.3
147.12756	1.0
149.09653	3.1
149.13264	16.6
151.03964	1.1
151.11188	1.1
151.14865	0.8
153.09094	1.9
155.08572	1.2
156.09369	1.3
157.10120	5.2
159.08104	1.3
159.11697	9.0
161.09633	5.3
161.13274	8.7
163.03951	2.7
163.11223	1.4
163.14819	5.6
165.05548	1.0
165.09154	1.5
167.03391	0.8
169.10201	2.6
171.11710	6.0
173.09686	0.9
173.13283	6.0
175.07594	0.8
175.11252	3.1
175.14830	8.3
177.12750	1.2
177.16374	4.7
179.10678	0.8
179.18108	0.7
181.10211	0.8
183.11803	3.1
184.64420	0.7
185.09651	0.7
185.13263	4.2
187.11205	2.1
187.14845	7.0
189.12817	1.7
189.16394	17.6
191.14372	1.5
191.17976	14.9
195.11703	1.6
197.13335	3.0
199.14828	4.1
201.12868	2.0
201.16359	8.4
203.14398	2.0
203.17986	15.7
205.19603	3.1
207.17505	1.9
209.13316	2.1
211.14839	1.5
213.05383	0.8
213.16388	3.8
215.05296	0.7
215.14452	1.5
215.17981	4.4
216.10435	0.9
217.15918	3.3
217.19460	3.4
219.01865	1.9
219.17448	1.8
221.19084	1.1
223.14890	1.6
225.16472	1.8
227.18056	2.8
229.16057	1.0
229.19640	1.7
231.17500	1.9
235.17035	1.6
237.02902	2.0
239.18057	1.8
241.19579	1.8
243.21175	1.3
247.17003	1.7
249.18527	4.2
253.19698	1.2
255.21190	1.6
257.19171	1.0
257.22659	0.9
259.17053	1.1
259.20749	1.1
261.18579	1.7
265.19705	0.8
267.21173	2.4
271.20593	1.6
279.03973	1.7
281.22760	1.6
285.22153	3.3
289.21762	2.8
348.07248	0.7
391.33911	1.5
393.35342	2.0
403.34128	1.0
409.34763	5.0
416.17792	0.9
418.21021	1.4
421.30350	1.8
421.35498	6.7
439.35971	100.0
440.36194	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	439.3577
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.38936	2.4
53.03954	3.0
55.05507	15.6
57.07077	6.7
66.83168	2.3
67.05507	24.4
69.07072	28.3
69.43768	14.5
73.06549	3.7
79.05494	16.8
80.52708	1.9
81.07063	52.1
83.08628	12.4
91.05490	21.0
93.07053	50.5
95.04988	3.8
95.08610	76.0
96.08987	2.4
97.10160	5.0
105.07034	48.9
107.08595	66.6
107.09287	3.8
109.06505	2.7
109.10167	55.9
109.10912	2.9
111.08083	5.5
117.07040	7.0
119.08587	67.7
121.06530	6.0
121.10146	62.1
123.08133	3.3
123.11694	22.2
123.12473	2.5
125.05991	5.3
125.09630	2.7
128.06224	2.3
129.06985	3.3
131.08566	12.3
133.10133	77.2
135.08093	5.7
135.11707	38.3
137.09673	5.8
137.13283	6.0
141.07016	2.1
143.08615	3.8
144.31856	2.3
145.10126	16.5
147.08064	2.4
147.11699	48.4
149.13274	20.1
151.11259	2.9
155.08525	2.6
157.10172	5.9
159.11713	28.1
161.09668	3.0
161.13255	30.1
163.14818	20.6
165.09128	4.9
167.10675	5.6
171.11729	6.5
173.13248	13.4
175.11276	2.3
175.14854	17.2
177.16440	11.6
179.10748	4.0
185.13316	4.7
187.14807	10.9
189.12674	2.8
189.16383	42.7
191.14282	11.9
191.17950	85.7
193.12320	5.4
199.14865	3.7
201.16377	16.3
203.14348	3.0
203.17972	70.5
204.18333	3.5
205.19574	7.8
207.17328	2.6
213.16449	6.0
215.17979	7.0
217.15970	4.7
217.19556	23.3
221.19037	4.3
223.16991	3.5
227.18105	3.1
229.19566	6.4
231.17554	6.8
231.21068	7.1
235.16977	2.3
239.17964	2.8
241.19417	3.6
247.17030	2.8
249.18600	10.6
254.07240	2.2
393.35202	11.5
411.36005	5.1
421.34784	19.0
439.35806	100.0
440.36240	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27091	4.5
68.99787	5.6
71.57969	5.6
84.08127	4.4
91.05482	14.9
97.02866	5.7
119.04909	8.2
137.05002	9.2
137.05984	100.0
137.07066	5.6
147.04404	5.0
163.03995	7.1
165.05481	79.2
166.15546	5.1
196.13451	5.0
311.49615	4.6
426.77200	4.3
440.23383	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	440.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47869	1.0
56.12583	1.0
56.60171	1.0
59.13018	1.1
65.03934	1.6
71.58804	1.6
73.47493	1.4
79.05505	1.3
79.57962	1.0
79.70650	1.2
91.05495	13.7
92.05831	6.3
93.07059	7.2
95.04969	2.4
95.08602	2.9
97.02919	1.6
98.03140	1.4
103.05476	3.9
105.07011	1.3
119.04951	4.8
120.05264	3.0
121.06518	100.0
122.06853	3.1
137.05994	23.1
138.06322	18.2
139.06508	5.8
140.06738	2.0
149.02280	1.4
165.05533	6.4
165.06740	1.3
181.18747	1.3
239.09302	2.1
239.50136	1.1
345.13330	2.0
357.70279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65881	0.8
53.03948	1.0
65.03948	0.9
70.06596	1.0
71.18579	1.3
81.07048	0.8
91.05511	3.9
92.05808	0.9
93.07038	4.7
95.04981	2.0
95.08552	1.0
97.02930	1.1
103.05489	3.4
105.07114	0.9
107.08671	0.9
109.10165	1.0
119.04948	1.3
121.06510	100.0
122.06837	5.4
123.07118	1.3
131.04973	0.9
135.04399	0.9
137.05974	4.7
138.06325	3.3
139.06560	1.5
147.04443	1.4
165.05461	7.1
190.16699	1.0
191.34903	0.8
225.07527	1.3
239.09158	1.9
325.85312	0.8
345.13196	2.6
372.58603	0.8
394.22397	0.8
431.72537	1.0
440.23236	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	440.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
56.96554	0.7
60.61401	0.5
63.94099	0.4
65.59296	0.5
68.36875	0.4
69.52936	2.7
75.54330	0.4
87.73399	0.4
91.05489	3.0
93.07043	4.9
95.04952	0.7
103.05474	2.9
105.07013	0.7
107.08562	0.5
118.63908	0.5
119.08620	0.6
121.06512	100.0
122.06836	1.6
140.15390	0.5
145.10034	0.5
165.05487	7.0
225.07649	0.9
328.63068	0.5
345.13354	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	441.0797
Annotation	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
52.77064	2.0
56.96560	3.6
61.02907	2.6
61.13536	2.2
69.03410	6.4
70.60970	4.4
71.04988	4.4
73.02907	2.4
74.55006	2.4
84.96024	2.2
85.02900	15.8
87.04430	2.3
92.27020	2.2
97.02867	7.7
98.97585	33.9
101.00863	3.0
110.97569	9.2
116.98621	4.9
119.03690	2.3
120.02569	3.2
127.03912	2.9
128.98575	6.0
137.06013	3.6
138.79762	2.2
140.98619	3.7
143.00197	5.9
158.99646	10.4
163.03946	3.3
170.99634	9.2
177.00676	6.8
182.99670	8.3
189.00737	5.3
192.04652	8.7
192.54872	3.0
193.04716	2.5
201.00713	14.3
201.05167	10.6
201.55363	7.2
202.60829	2.3
219.01770	12.2
223.06622	5.9
237.02736	2.6
239.04390	8.0
243.01788	4.7
261.02917	22.5
268.07147	4.1
268.57141	4.3
273.02728	3.0
279.03931	13.5
281.05423	5.3
282.57855	7.3
283.08157	5.1
291.03857	5.8
291.50595	2.7
299.57587	2.6
321.04916	11.2
349.59793	2.8
351.06195	3.2
381.07492	2.9
433.28021	2.9
441.07953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0798
Annotation	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
52.92066	2.9
70.22542	4.5
70.22943	7.3
70.99207	3.2
72.89565	3.0
73.28108	2.9
85.02871	4.5
98.97614	3.8
132.33669	3.0
184.53415	3.0
298.14279	3.2
441.07809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62671	1.5
56.96565	4.6
66.37622	1.4
67.05506	1.6
70.06585	6.9
71.58330	1.6
71.58719	1.6
72.08160	2.4
78.68737	1.7
81.03415	2.5
81.07078	1.8
82.68910	1.4
84.08158	3.3
85.02925	3.5
86.09706	1.8
91.05490	3.5
95.08612	2.1
97.02920	3.0
97.96779	1.6
98.97587	17.2
110.97572	5.7
112.07613	2.1
116.98647	3.2
119.04928	2.0
128.98627	4.1
131.04947	2.0
132.46097	1.5
137.67760	1.7
140.07097	1.8
143.00230	4.0
144.98050	1.9
147.04460	6.9
152.98589	3.7
158.99706	3.6
161.01306	2.2
164.07076	1.8
170.99683	3.0
177.00606	1.9
187.33493	1.5
189.00719	1.7
207.03351	5.9
210.12985	1.5
219.01848	9.6
225.04411	2.2
237.02861	7.5
254.10185	2.1
279.12665	1.7
296.06311	1.9
297.07120	2.4
307.06033	1.7
309.06577	9.7
318.11264	1.7
327.07538	26.0
393.08905	4.3
405.09067	3.1
413.72592	1.6
423.09793	4.9
441.11362	100.0
441.17151	5.4
442.11511	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	441.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83825	1.9
55.22033	1.7
56.96564	13.2
64.48560	1.9
67.05504	3.3
69.07065	3.3
71.57466	2.6
79.05494	3.5
81.07050	13.9
84.96030	8.7
91.05465	2.1
95.08621	5.4
97.96814	2.0
98.97590	100.0
105.07021	4.0
107.08633	4.4
110.97570	13.1
112.99137	21.1
113.08514	2.1
116.98627	21.5
121.06520	5.7
121.10168	4.8
128.98576	6.0
131.00182	19.6
131.08516	2.0
133.10149	3.1
133.31540	1.9
134.99658	3.7
140.98657	5.6
143.00227	4.3
144.98119	4.6
146.99759	2.8
147.04419	2.5
149.01250	3.9
151.07669	2.0
151.11206	5.6
154.01817	2.0
158.99664	35.8
162.99220	3.4
163.03902	2.3
170.99730	4.1
173.01222	20.8
174.99207	2.0
175.14844	2.2
177.00711	20.0
184.97679	3.9
191.02290	11.2
191.14349	2.4
200.02473	2.0
201.00710	7.6
202.98703	4.0
219.01772	21.8
232.09505	3.0
237.02922	14.7
244.99710	7.0
253.10997	2.8
277.02448	2.2
287.78665	2.0
290.10266	2.0
303.01022	4.4
305.02524	2.9
355.14325	50.3
373.15421	35.4
396.16824	4.0
397.15341	40.1
415.16226	4.7
441.15186	35.2
441.24768	4.5
442.18146	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	441.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65722	0.5
55.68611	0.5
69.03445	0.5
70.70561	1.1
71.04997	0.7
75.96355	0.5
81.07079	1.4
83.85574	0.5
84.81867	0.5
93.07059	0.9
107.08554	0.7
119.05068	0.5
121.06546	0.8
127.67223	0.6
135.04428	0.7
163.03946	1.3
175.11067	0.5
181.16794	0.5
185.04227	0.8
193.12085	2.7
203.05322	1.3
227.05209	0.6
245.06329	3.2
263.19760	0.7
289.05353	2.8
310.56561	0.5
355.17310	10.7
397.18372	26.8
441.17392	100.0
441.24292	7.9
442.17639	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1736
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
52.55996	0.2
53.12280	0.3
66.93696	0.3
69.68996	1.0
69.69398	0.6
70.67071	0.3
71.04994	0.3
81.07061	0.5
85.02910	0.3
93.07053	0.4
98.20838	0.6
99.91734	0.3
107.08594	0.8
185.04256	0.9
193.12045	2.2
203.05315	0.8
227.05301	0.3
235.12999	0.5
245.06374	3.2
289.05295	2.8
347.70410	0.3
355.17297	10.0
379.17166	0.8
397.18359	27.0
398.18747	0.7
441.17361	100.0
442.17697	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	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.7
55.01875	13.7
55.05529	4.7
57.03436	7.3
57.07072	5.2
61.02929	14.2
67.05514	17.1
68.99803	8.1
69.03434	43.0
69.07062	27.9
70.69351	5.7
70.69686	8.5
71.04985	20.6
73.02921	8.6
77.27420	4.4
79.05501	15.5
81.03419	46.7
81.07067	35.0
83.04987	6.4
85.02914	79.6
87.00832	35.2
91.05499	28.8
93.07067	27.3
95.04976	57.1
95.08623	57.4
97.02890	27.0
97.06525	12.3
99.04450	23.3
99.08099	14.5
103.03953	12.6
105.01873	19.3
105.07041	43.8
107.08609	45.9
109.02877	22.2
109.06532	66.2
109.10174	30.2
111.04459	9.9
111.08072	7.7
113.09675	10.0
115.03921	6.8
117.07008	6.6
119.08591	74.2
121.06541	20.8
121.10150	31.8
123.04446	10.4
123.08083	12.5
123.11713	10.2
127.03937	29.1
128.06242	4.9
129.01868	13.7
129.07025	9.8
131.08565	33.8
133.06499	7.0
133.10136	100.0
135.08086	15.9
135.11723	26.2
137.06033	20.4
137.09641	11.7
142.07788	7.1
143.08604	21.9
145.04958	10.2
145.10118	28.2
147.02893	6.0
147.08087	15.2
147.11705	26.7
149.09636	11.6
149.13264	7.6
151.07585	6.7
151.11096	4.2
155.08575	10.8
156.09322	8.4
157.10143	26.1
159.02872	15.0
159.08040	9.7
159.11670	30.1
161.09651	47.1
161.13251	8.7
163.11227	9.9
163.14925	4.1
169.10173	7.8
170.10912	10.1
171.08093	6.3
171.11690	34.5
172.12453	4.6
172.98938	3.9
173.09709	4.9
173.13252	67.1
175.11214	13.1
175.14827	59.9
177.12726	14.2
179.06982	3.9
179.10703	14.5
181.10133	7.3
183.11699	22.9
185.09665	9.0
185.13245	9.8
187.11121	7.9
187.14827	24.5
189.03908	5.3
189.12834	11.7
189.16411	10.2
191.14313	23.8
193.15927	15.8
197.13286	17.5
199.11195	5.7
199.14896	23.1
201.12846	10.1
201.16405	4.8
203.10675	8.6
203.14365	20.2
205.15933	8.5
207.11636	8.3
209.13300	5.2
211.14882	4.9
213.12781	5.2
215.14331	8.7
217.15884	55.0
219.13704	7.6
223.14807	6.6
225.12798	18.4
229.15889	10.8
231.13869	4.9
233.15288	6.0
235.16939	56.0
237.16376	5.0
238.73489	4.8
241.15981	16.0
243.13832	7.2
247.16959	7.3
259.16876	13.5
265.15964	8.1
277.17990	40.8
283.17017	17.9
301.18033	26.1
319.19034	12.3
383.16910	14.8
387.18286	6.6
405.19260	22.6
423.11572	5.8
423.20453	33.3
441.16449	44.1
441.21667	13.9
441.24734	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	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.7
55.01875	13.7
55.05529	4.7
57.03436	7.3
57.07072	5.2
61.02929	14.2
67.05514	17.1
68.99803	8.1
69.03434	43.0
69.07062	27.9
70.69351	5.7
70.69686	8.5
71.04985	20.6
73.02921	8.6
77.27420	4.4
79.05501	15.5
81.03419	46.7
81.07067	35.0
83.04987	6.4
85.02914	79.6
87.00832	35.2
91.05499	28.8
93.07067	27.3
95.04976	57.1
95.08623	57.4
97.02890	27.0
97.06525	12.3
99.04450	23.3
99.08099	14.5
103.03953	12.6
105.01873	19.3
105.07041	43.8
107.08609	45.9
109.02877	22.2
109.06532	66.2
109.10174	30.2
111.04459	9.9
111.08072	7.7
113.09675	10.0
115.03921	6.8
117.07008	6.6
119.08591	74.2
121.06541	20.8
121.10150	31.8
123.04446	10.4
123.08083	12.5
123.11713	10.2
127.03937	29.1
128.06242	4.9
129.01868	13.7
129.07025	9.8
131.08565	33.8
133.06499	7.0
133.10136	100.0
135.08086	15.9
135.11723	26.2
137.06033	20.4
137.09641	11.7
142.07788	7.1
143.08604	21.9
145.04958	10.2
145.10118	28.2
147.02893	6.0
147.08087	15.2
147.11705	26.7
149.09636	11.6
149.13264	7.6
151.07585	6.7
151.11096	4.2
155.08575	10.8
156.09322	8.4
157.10143	26.1
159.02872	15.0
159.08040	9.7
159.11670	30.1
161.09651	47.1
161.13251	8.7
163.11227	9.9
163.14925	4.1
169.10173	7.8
170.10912	10.1
171.08093	6.3
171.11690	34.5
172.12453	4.6
172.98938	3.9
173.09709	4.9
173.13252	67.1
175.11214	13.1
175.14827	59.9
177.12726	14.2
179.06982	3.9
179.10703	14.5
181.10133	7.3
183.11699	22.9
185.09665	9.0
185.13245	9.8
187.11121	7.9
187.14827	24.5
189.03908	5.3
189.12834	11.7
189.16411	10.2
191.14313	23.8
193.15927	15.8
197.13286	17.5
199.11195	5.7
199.14896	23.1
201.12846	10.1
201.16405	4.8
203.10675	8.6
203.14365	20.2
205.15933	8.5
207.11636	8.3
209.13300	5.2
211.14882	4.9
213.12781	5.2
215.14331	8.7
217.15884	55.0
219.13704	7.6
223.14807	6.6
225.12798	18.4
229.15889	10.8
231.13869	4.9
233.15288	6.0
235.16939	56.0
237.16376	5.0
238.73489	4.8
241.15981	16.0
243.13832	7.2
247.16959	7.3
259.16876	13.5
265.15964	8.1
277.17990	40.8
283.17017	17.9
301.18033	26.1
319.19034	12.3
383.16910	14.8
387.18286	6.6
405.19260	22.6
423.11572	5.8
423.20453	33.3
441.16449	44.1
441.21667	13.9
441.24734	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	441.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
55.01875	4.0
55.05514	23.2
57.03435	14.5
57.07071	4.6
57.09343	1.7
59.04987	1.8
61.02912	7.0
65.03928	2.0
66.83921	2.1
67.05505	40.0
68.05027	1.5
69.03432	100.0
69.06779	1.7
69.07077	19.5
69.43152	1.5
69.61398	9.6
71.04992	10.2
71.08617	1.6
73.02920	3.5
79.05062	3.0
79.05496	46.9
81.03440	8.0
81.07066	53.5
82.17242	1.4
83.04992	28.3
83.08617	8.2
85.02905	25.2
85.06535	2.9
87.04462	10.0
91.03934	2.1
91.05483	59.5
93.07050	65.0
95.04961	8.1
95.08613	53.7
96.08972	2.0
97.02862	4.4
97.06529	4.7
97.10147	3.1
99.04470	21.8
99.08096	8.0
103.03993	2.4
103.05491	1.9
105.07036	68.4
107.04918	1.8
107.08605	59.2
109.06482	3.3
109.10158	24.7
111.04448	26.5
111.08074	3.1
111.11678	1.8
113.09661	2.2
115.05441	2.4
117.07019	16.1
119.08588	76.0
120.08927	2.5
121.06494	2.1
121.10158	45.8
123.08031	2.8
123.11713	11.4
125.09650	2.2
127.03934	2.0
128.06262	2.7
129.05496	41.8
129.06950	10.4
130.07716	1.7
131.08582	28.9
133.10136	53.1
133.98022	1.7
135.08054	4.9
135.10686	2.6
135.11703	40.7
137.06035	1.6
137.09613	2.1
137.13289	2.8
139.11243	2.0
143.08560	12.8
144.09288	2.0
145.04907	2.8
145.10133	31.9
146.39256	1.6
147.06511	20.0
147.07817	2.2
147.08026	2.0
147.11697	60.9
149.09613	3.3
149.13284	24.6
150.51244	1.8
151.11217	2.6
153.12796	2.0
157.10112	12.4
158.10872	2.7
159.11699	27.4
161.09604	3.2
161.13266	52.5
163.03862	1.6
163.11166	5.4
163.14827	8.4
165.07582	13.5
165.09074	4.5
165.12804	2.8
166.59648	1.7
171.11702	17.6
173.13303	21.2
175.11151	4.7
175.14836	34.6
177.12721	2.4
177.16364	5.7
183.11693	4.9
185.13266	13.4
187.14880	12.7
187.28276	1.9
189.12740	6.0
189.16393	12.5
191.14253	3.0
191.17868	8.5
197.13171	2.6
199.14803	11.5
201.12720	2.5
201.16347	8.1
203.14311	6.1
203.17969	5.7
205.15971	4.1
207.17450	2.9
211.14978	1.8
213.16408	6.9
215.14296	1.6
215.18027	3.7
217.15886	3.3
217.19519	3.5
219.13870	3.4
219.17560	2.9
221.15259	1.7
224.76895	1.9
227.17931	2.0
229.19653	3.0
231.17467	2.2
231.21097	10.1
233.18999	2.4
239.18298	1.9
241.19505	44.3
243.20880	2.0
249.18544	1.8
253.19637	3.1
257.22427	1.7
259.20590	91.3
261.22186	4.1
277.21652	41.9
283.20633	2.0
287.20215	2.4
301.21585	2.2
369.28040	4.2
387.25079	2.1
405.26270	12.4
405.31653	5.1
423.28070	13.1
423.32562	13.0
441.28311	22.0
441.33685	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	441.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05516	4.1
57.07095	2.9
60.23125	0.9
65.03937	0.9
67.05513	5.3
69.03445	2.2
69.07076	9.2
71.08668	1.6
77.24750	1.0
79.05508	5.3
81.07070	13.5
83.05003	3.7
83.08640	3.2
87.02726	1.7
91.05485	6.0
91.36275	0.9
93.07063	8.9
95.08614	22.3
95.09158	1.6
97.06557	1.6
97.10196	2.2
103.05503	1.9
105.07043	27.5
106.07859	2.1
107.08614	17.8
109.06545	2.7
109.10174	14.3
111.08080	1.9
111.11795	2.9
119.08591	10.4
121.06547	2.6
121.10153	15.3
123.08127	2.9
123.11729	8.4
131.08632	2.0
133.06502	12.8
133.10141	8.0
134.07262	7.7
135.08073	78.1
135.11679	11.2
136.08473	1.0
137.04230	1.1
137.09648	2.0
137.13280	5.3
145.10190	3.7
147.11723	5.8
149.09648	13.4
149.13353	3.8
151.07597	5.3
157.10210	1.2
159.11763	6.0
161.09715	1.4
161.13333	3.9
163.14894	3.2
165.03716	15.0
167.05344	3.6
171.11745	1.4
173.13342	3.3
175.14912	3.2
177.12915	1.0
177.16481	4.1
179.05348	4.4
182.82901	1.1
187.14890	2.0
189.16388	5.3
191.17999	7.2
199.15019	1.4
201.16554	2.7
203.18062	3.7
205.16042	1.3
205.19633	1.2
215.18089	4.4
217.15858	1.2
217.19554	1.2
219.17543	1.7
229.19691	1.8
231.17471	1.4
233.19127	3.5
235.17078	3.4
243.17632	1.1
245.18950	1.2
277.16257	14.7
287.23779	8.4
295.17303	48.3
405.35599	1.4
423.36722	4.6
441.37442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
53.77143	2.0
55.05509	19.8
57.03439	3.6
57.07076	6.5
59.05007	4.4
64.45551	1.9
65.03948	2.9
67.05505	29.0
69.03447	1.9
69.07067	26.4
69.35482	15.2
71.05001	4.5
71.08642	3.2
75.25323	1.9
75.46957	2.1
79.05495	21.1
81.07063	54.8
83.05005	4.0
83.08616	11.4
85.06528	4.8
91.05485	21.9
93.07053	51.2
95.04978	6.4
95.08615	100.0
96.08962	2.0
97.06537	9.2
97.10184	8.2
98.20783	3.9
99.08089	6.5
99.71381	2.2
105.07040	46.5
107.07866	4.2
107.08602	79.7
108.94085	2.1
109.06530	6.7
109.09451	4.5
109.10168	54.8
110.10505	2.4
111.08108	7.6
111.11736	3.4
113.09657	1.9
117.07030	8.8
119.08590	73.9
120.08965	2.9
121.06548	3.3
121.10151	70.2
122.10513	3.2
123.08089	10.2
123.11726	23.6
125.09650	4.4
129.07018	3.2
131.08589	21.3
133.08609	2.3
133.10152	53.3
135.08061	5.4
135.11702	58.0
137.09666	6.6
137.13252	10.6
139.30148	2.0
143.08574	8.6
144.09409	2.3
145.10138	38.0
147.11691	41.0
149.09634	5.3
149.13280	27.8
151.11205	4.8
151.14905	2.7
153.09088	2.3
153.12732	2.3
155.08546	5.0
157.10150	12.3
159.08044	2.5
159.11711	34.2
161.09644	5.6
161.13301	24.7
163.11240	5.1
163.14839	22.8
165.12756	5.6
169.10152	4.5
171.11726	11.8
173.13290	28.1
175.11287	2.1
175.14832	29.4
177.12779	7.6
177.16364	15.7
179.14249	9.6
181.10258	3.0
183.11690	6.2
185.13283	8.8
187.11215	3.9
187.14822	24.0
189.12846	3.1
189.16405	34.1
191.14348	14.0
191.17984	48.9
193.15897	4.4
197.13303	5.5
199.14828	6.9
201.12787	9.3
201.16443	24.6
203.14345	8.1
203.17972	25.7
205.15918	8.0
205.19611	3.3
207.17485	24.3
213.16438	11.2
215.14383	5.3
215.17979	21.6
217.15945	5.8
217.19548	8.7
219.13844	6.0
219.17387	10.6
221.19067	5.4
225.16304	4.4
227.17944	4.9
229.16046	2.8
229.19550	7.9
231.17441	5.9
233.15392	4.1
233.19075	13.6
235.16896	3.0
239.17961	4.3
241.19589	5.3
243.21153	7.4
245.19031	3.6
247.20691	2.7
249.18709	3.6
251.17917	2.3
251.20242	3.0
253.19519	2.8
255.21129	5.6
261.22131	5.7
269.19220	4.6
269.22601	2.9
271.20547	2.4
279.23444	4.2
283.24182	4.1
287.20084	5.0
343.55496	2.3
387.30469	3.0
395.33109	3.6
405.31195	8.4
411.36298	3.1
423.31729	35.7
423.36621	14.6
441.32748	90.0
441.38043	25.7
456.59229	2.3
460.20923	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3367
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05500	4.8
57.03431	1.1
57.07077	2.2
64.87502	1.1
67.05510	8.2
69.07072	8.7
69.57797	8.8
75.61735	1.1
79.05501	8.4
81.07059	23.8
83.08619	3.7
91.05471	7.5
93.07053	19.5
95.04971	1.9
95.08609	35.5
96.47758	1.1
97.06507	3.2
97.10158	2.2
99.08090	1.8
105.07042	18.2
105.59760	1.2
107.03674	1.3
107.04954	1.9
107.08601	30.5
107.91548	1.1
109.06497	3.0
109.09467	1.6
109.10163	18.3
111.08080	2.7
117.07047	2.4
119.08587	34.1
121.06536	2.8
121.09310	1.7
121.10150	20.2
123.08086	3.3
123.11701	10.1
125.05997	10.2
125.09594	2.8
131.08591	7.5
133.10144	29.0
135.08070	2.2
135.11705	31.1
137.09677	2.8
137.13257	3.8
143.08563	3.6
145.06491	1.7
145.10112	9.8
147.08054	3.8
147.11688	16.6
149.05753	1.1
149.13261	11.0
151.11189	2.7
153.09114	2.4
155.08528	1.5
157.10139	5.6
159.08102	2.4
159.11690	10.5
161.09637	12.1
161.13248	8.9
163.07544	1.6
163.11174	1.7
163.14812	9.4
165.12737	1.4
171.11668	5.1
173.09621	3.1
173.13274	11.7
175.11226	1.3
175.14845	6.7
177.12811	1.9
177.16402	1.9
179.14305	1.6
183.11705	2.4
185.13249	4.0
187.14806	7.3
187.69087	1.3
189.16396	44.7
189.18124	2.2
191.14334	4.0
191.17970	12.9
193.15768	2.5
197.13199	3.8
199.14908	1.7
201.12738	20.9
201.16461	8.4
203.14249	1.2
203.17949	4.0
205.15974	1.7
205.19460	2.2
207.17448	74.0
208.17863	1.2
209.15291	1.7
213.16296	1.4
215.12251	2.7
215.14328	49.6
215.17923	5.2
217.15897	7.8
217.19507	3.0
219.13820	31.5
219.17325	13.0
227.18065	1.4
229.15804	2.3
229.19539	1.2
231.17343	2.8
233.15367	24.4
233.18935	2.4
239.17978	1.5
243.17451	2.9
247.16882	1.4
253.19563	1.2
255.21176	1.6
269.19043	3.0
319.74802	1.3
369.19446	1.5
405.31293	1.5
423.31982	21.0
423.37183	3.2
424.32953	1.5
439.00122	1.2
441.32916	100.0
441.37988	12.7
442.33725	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	441.3369
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05515	4.6
57.07055	1.8
59.04962	1.0
66.07725	0.8
66.87184	0.8
67.05518	8.0
69.07074	8.2
71.04968	1.0
79.05511	6.4
81.03409	0.9
81.07061	19.3
83.08638	3.8
85.06519	1.0
91.05482	6.6
93.07047	18.3
95.04931	1.6
95.08615	28.5
97.06496	1.9
97.10133	3.4
97.10744	0.8
105.06417	1.1
105.07039	15.5
107.08604	26.5
108.08871	0.9
109.06468	1.9
109.10165	14.8
111.08045	2.9
117.06976	2.0
119.08588	22.0
121.06498	0.9
121.10166	17.2
123.07999	3.3
123.11728	8.1
125.09576	1.0
128.41556	0.8
129.06958	1.4
131.08569	8.5
133.10138	17.9
134.10388	0.8
135.08073	3.9
135.11708	18.0
137.09561	3.7
137.13226	4.2
143.08487	2.7
143.10544	0.8
145.10136	10.1
147.10667	1.0
147.11705	12.3
149.09506	1.7
149.13290	10.6
151.11157	2.1
153.40123	0.8
155.08540	1.6
157.10153	4.8
158.10762	1.1
159.11726	11.1
161.09622	1.8
161.13283	9.9
163.11139	1.7
163.14827	7.8
165.12720	1.2
169.10054	1.6
170.10829	0.9
171.11594	3.7
173.09618	1.0
173.13284	8.8
175.11176	1.1
175.14803	8.4
177.12770	6.7
177.16391	6.8
179.14201	2.3
183.11620	2.8
185.13255	4.8
187.11201	1.0
187.14828	7.6
189.12605	2.0
189.14784	1.2
189.16399	18.2
190.16614	1.1
191.14174	3.0
191.17998	7.0
193.15785	1.1
197.13243	2.0
199.14703	2.7
201.11391	0.7
201.12784	7.3
201.14366	1.5
201.16356	8.8
203.14359	5.7
203.18007	5.7
205.15765	3.1
205.19307	1.1
207.17459	9.4
209.13109	1.6
211.14821	2.0
213.16403	3.8
215.14391	2.0
215.17934	4.6
217.15910	5.0
217.19418	4.1
219.13843	7.2
219.17326	3.4
221.15425	0.9
221.18970	1.0
225.16385	0.9
227.17796	2.4
229.15739	2.2
229.19350	2.0
231.17401	1.1
231.21017	1.7
233.15237	1.5
233.18990	2.2
241.19420	1.9
243.17291	2.1
243.20985	1.4
245.18977	1.4
247.20259	0.9
251.17831	1.0
255.20885	1.8
257.22644	1.4
259.20477	1.4
261.22015	1.7
269.18854	2.6
269.22412	1.1
271.20294	0.8
283.20297	1.1
287.20001	1.0
295.20514	1.0
331.26065	3.7
345.27930	8.9
355.29706	3.0
405.31125	5.6
408.30090	4.4
411.35898	0.9
416.64642	0.8
423.32080	21.3
424.32333	1.1
425.16089	0.9
426.16321	2.0
441.13855	2.0
441.18829	8.3
441.33276	100.0
442.33505	2.0
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	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
50.55767	0.7
51.73945	0.8
53.03949	0.8
53.66337	0.6
55.05513	3.7
57.03426	0.7
57.07080	1.5
63.45490	0.7
67.05504	9.8
69.07071	6.4
71.09084	0.7
71.40570	1.2
79.05499	6.2
81.07059	19.4
83.08626	3.1
91.05467	5.3
91.65469	0.7
93.07047	14.1
95.05003	0.9
95.08612	32.5
97.06528	1.0
97.10188	2.6
97.12970	0.6
101.70616	0.7
105.07036	10.6
107.07871	1.1
107.08598	22.4
109.06522	3.0
109.10168	18.6
111.08084	5.2
117.07091	0.9
119.08591	15.5
121.10139	21.1
123.08086	2.5
123.11725	8.8
125.09627	1.3
131.08553	4.3
133.10133	13.8
135.08046	1.9
135.11684	17.8
137.09621	1.6
137.13293	2.0
139.11212	1.2
143.43271	0.7
145.10132	8.7
147.11702	12.7
149.13266	7.3
151.11168	1.0
151.14865	0.7
157.10071	1.5
159.11696	7.1
161.13280	9.2
163.14836	7.8
165.12730	0.9
173.13275	6.2
175.14841	4.4
177.16373	5.4
179.14354	0.9
185.13210	0.7
187.14865	2.6
189.16394	16.1
191.17960	8.6
193.15977	0.9
201.16393	10.9
201.18057	1.2
203.17900	5.8
205.19525	1.2
207.17461	11.9
213.16470	1.2
215.17969	3.6
217.19583	2.5
219.17450	38.0
221.19037	3.2
229.19563	1.5
231.17523	1.1
233.19093	2.5
243.21185	0.9
255.21217	0.9
257.22693	0.8
261.22272	1.3
269.22736	1.1
283.24188	0.9
395.36804	0.9
405.35342	1.5
411.36499	1.3
423.36356	10.7
441.37347	100.0
442.37775	2.2
453.50287	0.9
467.32108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02160	2.0
52.43765	2.0
53.03942	2.9
55.05516	16.5
57.03463	1.9
57.07072	9.2
67.05216	2.7
67.05513	27.2
69.03429	2.4
69.07070	27.9
69.60832	13.6
71.04996	5.6
72.81684	2.0
75.30256	2.0
79.05498	26.3
81.06576	3.5
81.07063	62.9
83.04978	6.0
83.08620	10.9
83.09049	1.9
85.06535	4.9
89.41029	1.7
89.99139	2.1
91.05497	15.5
93.07049	46.9
95.04942	3.8
95.08614	100.0
97.06540	3.6
97.10181	6.9
98.20741	3.2
99.04486	2.3
99.08103	4.8
105.07042	48.0
107.08610	75.0
109.06509	5.4
109.09461	3.5
109.10169	57.3
111.08077	5.2
117.07044	7.1
119.08590	59.1
121.06487	6.2
121.10151	69.9
123.08045	3.4
123.11719	26.0
125.09570	2.5
130.07756	2.0
131.08574	17.3
133.10146	54.6
135.08072	6.9
135.11703	56.5
135.70743	2.1
137.09634	2.7
137.13266	14.3
142.07747	2.5
143.08551	7.1
143.10750	2.4
145.10127	27.7
147.11699	41.6
149.09627	3.2
149.13272	36.1
151.11166	5.0
151.14862	3.1
153.12749	2.7
155.08505	2.8
157.10104	12.8
158.10730	2.3
159.11713	30.8
161.09665	2.6
161.13283	25.6
163.11153	3.5
163.14850	23.6
165.12804	2.5
169.10172	3.4
171.11697	14.3
173.13271	20.6
175.11273	2.8
175.14885	26.4
176.43997	2.0
177.12753	6.2
177.16417	14.9
179.14333	7.0
183.11697	5.6
185.13269	9.7
186.14233	2.3
187.11258	3.8
187.14845	24.3
189.12830	4.1
189.16408	33.3
191.14389	3.8
191.17989	48.1
193.15894	5.1
197.13326	3.8
199.14819	10.5
201.12717	7.7
201.16383	22.1
203.14362	6.5
203.17978	34.0
205.15872	6.5
205.19606	9.7
207.17412	21.3
213.16382	10.1
215.14485	3.1
215.17979	21.9
217.15924	4.2
217.19498	18.7
219.13811	3.8
219.17464	12.3
221.19005	6.3
225.16495	3.1
227.18051	6.3
229.15889	3.5
229.19543	9.1
231.17410	7.2
231.21135	3.6
233.15393	4.1
233.19003	24.8
235.16997	3.5
235.55801	2.1
241.19606	5.1
243.21112	7.0
247.20625	4.8
249.18477	2.6
251.17848	2.7
253.19606	4.2
255.21095	7.8
257.18896	2.3
257.22824	4.6
259.20551	2.7
269.22531	3.9
271.20566	3.6
273.22156	7.6
283.24094	2.9
285.22278	3.2
287.20123	3.0
287.23392	2.3
311.23703	3.5
325.28778	5.0
395.32965	4.6
405.31277	6.6
405.35730	5.2
411.36301	3.4
423.31601	26.8
423.36520	16.8
441.32507	75.9
441.37885	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.05503	15.7
57.07042	6.5
59.04991	4.3
60.30845	3.2
67.05507	36.0
69.07072	29.0
71.04980	4.8
71.57230	7.3
79.05510	19.7
81.07059	71.9
83.08606	11.9
85.06549	5.8
91.05504	21.1
93.07059	52.6
95.04941	3.8
95.08611	100.0
97.06532	8.1
97.10172	10.0
102.51126	3.1
105.07027	38.5
105.07691	5.5
107.08598	76.6
109.06480	4.5
109.10165	62.0
111.08098	5.8
111.44940	3.4
119.08595	48.9
121.06509	8.8
121.10165	56.8
123.08071	8.0
123.11712	31.2
125.09607	4.3
131.08563	12.5
133.10144	41.0
135.11708	44.5
137.09561	3.8
137.13232	9.0
143.08574	6.1
145.10126	26.0
147.11694	45.0
149.13261	30.2
151.11058	5.0
151.14841	4.0
153.12755	9.1
157.10201	8.3
159.11671	24.0
161.09622	3.5
161.13272	40.6
163.14822	26.9
171.11668	6.9
173.13309	19.8
175.14888	23.1
177.16420	11.9
185.13234	4.8
187.14854	6.2
189.16452	18.0
191.14395	5.5
191.17960	58.3
201.12706	5.4
201.16376	14.3
201.85652	4.0
203.17963	30.9
205.15868	7.1
205.19547	10.1
207.17476	8.7
213.16328	5.8
215.17984	18.9
217.19510	14.2
219.17448	9.4
221.18790	5.9
227.17802	5.3
229.19600	5.5
231.17549	4.0
233.18971	18.7
243.21025	5.3
245.18823	3.6
272.17584	3.9
423.36566	51.9
441.33020	21.1
441.37308	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.00061	1.4
53.90234	1.5
55.05513	11.9
57.07080	3.4
59.04994	1.9
61.82604	1.5
67.05517	20.8
69.07067	16.0
69.21184	6.2
69.21603	8.3
79.05492	11.9
81.07061	41.0
83.08617	9.3
85.06532	12.0
91.05475	14.4
92.72318	1.5
93.07045	40.4
95.04977	2.4
95.08611	88.4
97.10186	4.6
105.07033	34.2
106.04874	1.4
107.08597	61.9
108.53040	1.5
109.06483	1.9
109.10164	51.9
111.08109	3.0
111.11756	2.0
113.09660	5.1
117.07008	3.7
119.08585	49.5
121.10143	48.7
123.08085	2.1
123.11721	19.2
125.09630	2.9
131.08571	12.5
133.10143	32.8
133.11089	3.1
135.11699	43.3
137.13196	7.3
139.11182	2.3
144.09317	1.9
145.10118	23.5
147.11691	29.0
147.50523	1.8
149.13271	28.2
151.11214	2.3
153.12653	1.8
157.10236	4.1
158.10909	1.8
159.11676	25.0
161.13260	37.4
161.14618	2.7
163.14841	28.4
165.12813	1.7
171.11719	4.8
173.13269	15.1
175.14832	27.3
175.16275	2.7
177.16411	14.8
179.14336	3.7
185.13274	2.3
187.14845	17.4
189.16394	27.1
191.14339	6.6
191.17963	64.7
193.15935	6.7
199.14844	5.4
201.16382	21.5
203.17967	23.6
205.15915	5.3
205.19531	11.2
207.17508	10.8
213.16420	3.8
215.17961	30.8
217.16151	1.9
217.19507	15.2
219.17468	11.4
221.19107	3.4
227.18037	2.5
229.19551	5.2
231.17447	3.2
231.21120	4.6
233.19044	25.5
233.22737	1.9
241.19548	1.9
243.21109	4.2
245.18965	2.9
245.22710	3.7
247.20572	4.2
255.21237	2.1
257.22791	2.5
261.22156	4.7
261.47784	1.4
275.23865	2.6
281.22672	1.7
283.24139	1.9
287.23618	2.4
301.25345	1.9
311.27271	1.9
327.26633	1.8
395.36819	6.9
405.35223	8.5
411.36710	1.9
423.36240	84.6
424.36829	1.9
432.49475	1.7
441.37354	100.0
442.37924	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	441.373
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05501	7.9
60.16801	6.0
67.05503	24.4
69.03385	6.3
69.07072	17.2
79.05508	13.7
81.07063	52.8
82.22489	6.3
83.08621	9.6
91.05482	12.6
93.07050	36.3
95.08055	9.2
95.08614	96.9
98.20703	15.3
105.07033	27.9
107.08598	48.6
109.10156	42.1
110.77840	6.9
119.08584	43.0
121.10143	36.6
123.11675	19.9
131.08524	8.0
133.10103	25.1
135.11729	34.4
145.10123	14.5
147.11679	25.2
149.13248	25.0
157.10072	8.4
159.11697	17.6
161.13249	34.4
163.14822	21.5
165.09120	23.7
165.12802	6.6
173.13312	16.2
175.14827	22.1
177.16345	10.0
187.14845	9.6
189.16426	17.3
191.14316	13.7
191.18019	43.3
201.16382	9.7
203.17949	24.1
205.12378	7.3
205.15833	7.3
205.19562	8.6
215.17932	18.7
217.19446	10.6
229.49014	8.5
231.21062	7.7
233.19005	26.2
275.61038	7.2
395.36731	7.7
403.46988	6.8
423.36343	80.4
441.37537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
55.05515	19.2
57.07062	8.2
59.04992	3.0
67.05223	2.8
67.05505	27.0
69.07066	35.8
71.03377	7.8
71.08629	2.7
72.57665	2.7
79.05504	23.0
81.06587	3.5
81.07062	69.3
83.04981	4.5
83.08617	14.1
84.97751	3.1
85.15969	2.9
91.05479	21.5
93.06480	3.6
93.07045	56.3
95.04980	4.8
95.08611	100.0
96.08887	3.3
97.06517	11.4
97.10142	10.7
99.08092	6.1
105.06397	4.5
105.07040	72.8
105.61499	3.2
107.08602	95.3
109.06508	8.9
109.10158	59.2
109.72385	3.5
111.08074	7.4
117.07037	7.5
119.08590	89.8
121.09323	5.4
121.10152	85.2
123.11721	36.3
129.06984	3.9
131.08574	23.5
133.10138	59.7
135.08075	7.9
135.11696	60.7
137.09605	5.7
137.13223	14.9
139.11171	6.4
143.08553	10.0
145.10129	44.4
147.08031	4.2
147.11699	59.4
149.09647	3.4
149.13260	38.1
151.11163	9.3
156.09364	3.2
157.10167	18.5
159.11705	48.5
160.11975	3.0
161.13268	67.8
163.11136	5.2
163.14842	33.1
165.12759	4.1
169.10158	3.9
170.10934	3.4
171.11676	12.1
173.13261	35.1
175.14835	42.0
177.12679	4.5
177.16371	13.5
179.14388	10.3
183.11710	7.1
185.13245	13.0
187.14853	29.3
189.12807	5.7
189.16420	46.8
191.14285	5.2
191.17961	44.0
193.15771	4.5
197.13225	6.2
199.14879	15.7
201.16405	47.7
203.14389	7.3
203.17960	32.6
205.15898	9.7
205.19608	7.0
207.17513	19.0
211.14804	5.7
213.16400	7.1
215.14468	4.7
215.18005	37.9
217.15799	7.5
217.19511	12.5
219.13748	5.5
219.17393	12.0
225.16370	4.0
227.17882	7.3
229.19528	14.6
231.17406	7.1
233.15398	6.9
233.19009	18.6
239.18063	4.3
241.19498	8.2
243.21075	7.3
245.18979	5.6
247.20586	3.1
253.19556	5.6
255.21042	7.9
257.22668	5.2
261.18350	4.5
261.22141	3.7
267.21057	3.3
269.22690	4.8
281.22812	4.0
283.20468	3.2
303.09390	3.1
342.37296	3.8
365.31992	6.2
377.32028	3.6
383.33115	15.2
395.33179	11.5
405.35794	16.1
419.04050	3.4
423.31769	16.3
423.36975	60.8
423.44681	3.3
441.32535	71.2
441.37906	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	441.373
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
55.05509	14.9
57.07084	9.2
61.80256	5.2
65.89027	4.7
67.05517	32.7
69.07078	36.7
70.88579	11.2
74.71949	4.5
75.90123	4.8
79.05498	31.6
81.07068	67.1
83.08624	16.9
85.06561	5.5
91.05481	26.5
93.07055	58.9
95.08612	100.0
95.35862	5.0
97.06538	11.5
99.08102	6.6
105.07030	47.1
106.56354	5.2
107.08609	84.5
109.06541	9.9
109.10161	73.6
111.08125	18.3
119.08593	71.6
121.06473	5.9
121.10159	53.5
123.11710	38.6
131.08575	19.1
133.10144	71.0
135.11739	54.7
137.09569	6.5
137.13248	11.9
143.08539	9.3
145.10155	42.5
147.11708	48.2
149.13281	28.9
151.11122	6.9
153.12785	6.6
157.10147	12.7
159.11714	44.6
161.13242	39.4
163.14861	21.8
165.09138	20.3
171.11705	11.0
173.13249	24.4
175.14818	33.3
177.11168	4.8
177.16409	22.4
178.40916	5.8
179.14429	10.8
185.13113	5.6
187.14824	22.3
189.16385	33.8
191.17928	37.9
193.02740	4.9
193.15897	7.9
199.14946	9.3
201.16518	36.9
203.17973	39.4
205.15915	6.3
205.19563	4.9
207.17476	21.8
213.16533	8.0
215.18018	24.0
217.19560	14.4
219.17479	13.9
221.18979	9.3
229.19588	12.8
233.19014	36.0
243.21028	9.0
247.20760	7.9
255.21190	6.8
257.22629	6.6
261.22134	6.2
269.22540	8.0
273.22186	21.5
322.81589	5.2
376.80948	5.8
386.22821	5.7
405.35349	9.9
411.36386	6.3
423.31613	9.7
423.36420	73.0
441.20087	5.3
441.37802	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03960	0.4
55.05505	1.4
57.07079	1.2
67.05513	3.3
69.03408	0.4
69.07075	5.4
69.57550	1.7
69.57964	0.7
70.97900	0.3
79.05495	1.7
81.07060	6.6
83.04982	1.4
83.08627	2.0
85.06522	0.5
91.05489	1.4
93.07049	4.1
95.04967	0.7
95.08614	13.9
97.06525	0.9
97.10194	1.3
98.20772	0.9
105.07036	3.8
107.07883	0.5
107.08599	8.1
109.06515	0.8
109.10170	7.8
111.08108	1.2
111.11754	0.7
113.09649	0.5
119.08587	5.5
121.06531	1.3
121.10153	7.8
123.08084	1.4
123.11716	5.4
125.09644	1.2
125.13257	0.9
131.08585	1.6
133.10146	5.4
135.08076	4.0
135.11714	6.3
137.09628	1.1
137.13260	2.7
143.08583	0.5
145.10117	1.5
147.07983	0.5
147.11694	3.6
149.09641	9.9
149.13261	3.3
151.11209	0.7
151.14851	0.4
157.10175	0.8
159.11681	2.1
161.09604	0.9
161.13260	2.6
163.11214	1.5
163.14857	1.4
165.09088	0.4
165.12720	0.5
165.38216	0.4
169.10165	0.5
171.11647	0.6
173.13297	1.4
175.11197	0.9
175.14854	2.5
177.12717	0.9
177.16388	2.0
179.14359	0.7
185.13335	0.5
187.14761	1.8
189.16420	3.7
191.14323	0.5
191.17979	1.5
193.15854	0.4
203.14395	1.0
203.17819	0.7
205.19531	0.9
207.17448	0.5
213.16389	0.9
215.18008	2.1
217.15977	0.4
217.19415	0.4
231.17583	0.5
233.19006	2.9
235.16937	3.2
237.84601	0.4
241.19589	0.7
243.21124	0.6
247.20624	0.6
255.37157	0.4
261.22220	0.5
267.21246	0.6
269.22772	1.1
271.24072	0.4
285.22153	0.4
287.23669	5.3
301.25223	0.6
303.23312	0.6
405.35294	0.5
423.36301	1.1
441.37314	100.0
442.37796	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3732
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
51.61507	4.2
55.05517	17.2
57.07068	6.8
67.05505	29.4
69.07072	18.3
69.37122	33.1
69.37537	6.7
79.05506	16.8
79.59706	3.7
81.07068	59.5
83.04992	9.9
83.08626	13.9
91.05472	23.5
93.07061	39.8
95.08612	100.0
95.09171	8.9
97.10162	10.2
98.21535	10.0
105.07034	40.3
107.08607	90.4
109.10165	60.8
111.08095	5.5
119.08585	77.0
121.10163	71.6
122.55347	5.7
123.10943	5.4
123.11704	29.2
125.09595	5.8
131.08597	20.4
133.10136	56.9
135.11699	39.3
137.13263	9.3
145.10135	38.4
147.11690	31.8
149.13286	26.8
151.11223	11.0
157.10181	6.9
159.11720	45.9
160.12146	4.8
161.13254	31.5
163.14886	23.9
164.52698	5.3
165.12820	6.9
171.11731	6.4
173.13275	26.0
175.14796	10.9
177.16460	11.1
179.14333	16.1
185.13364	6.0
187.14903	23.4
189.16347	26.2
191.14165	5.6
191.17995	27.2
201.16373	23.9
203.17975	26.0
205.19603	6.8
207.17531	22.8
213.16328	5.2
215.17944	26.4
217.15903	4.8
217.19547	19.6
219.17444	13.0
229.19426	6.3
231.21045	6.0
233.19008	23.2
243.33461	5.0
267.66306	4.3
277.54239	4.7
405.35223	7.8
411.36423	7.8
423.31686	5.4
423.36343	58.9
441.36890	34.0
460.00571	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	441.3732
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.03931	2.9
55.02959	1.8
55.05506	14.8
55.42276	1.9
57.07075	5.7
67.05502	24.7
69.07071	25.8
69.57275	13.6
71.04982	2.9
79.05482	14.6
81.07062	59.1
82.07377	3.0
83.07842	1.9
83.08625	12.7
85.06493	3.2
91.05478	27.1
93.06480	3.2
93.07045	45.9
95.04939	3.2
95.08611	100.0
97.06532	6.9
97.10168	8.6
98.21494	3.0
99.08114	2.6
105.07035	55.9
107.08599	80.5
109.06503	3.9
109.09456	3.4
109.10162	51.6
111.08109	11.7
113.02486	2.0
117.07031	12.1
119.08587	80.9
121.10146	60.2
123.08065	7.1
123.11711	23.9
125.09592	3.6
131.08580	25.5
133.10138	50.3
135.08107	3.7
135.11700	49.5
137.09654	2.9
137.13257	12.1
139.11191	2.5
142.07751	2.8
143.08543	9.4
145.10130	43.9
147.11697	38.0
149.09595	2.7
149.13260	27.6
151.11122	3.7
155.08534	2.7
157.10123	11.4
159.11711	51.0
161.09656	3.3
161.13257	34.7
163.14830	25.1
165.09111	3.2
165.12740	4.2
169.10135	2.9
171.11748	10.0
173.13278	29.5
175.13339	2.4
175.14835	34.5
177.12726	7.0
177.16409	15.2
179.14365	9.9
181.10036	2.4
183.11642	4.7
185.13303	14.5
187.11185	3.9
187.14835	34.3
187.16478	3.9
189.16389	35.5
191.14333	4.7
191.17944	48.1
193.15891	6.4
196.96507	2.2
197.13266	4.4
199.14735	10.6
201.12750	6.6
201.16414	29.0
203.14316	6.3
203.17969	30.5
205.15894	9.5
205.19423	4.2
207.17491	18.1
211.14857	3.9
213.16341	11.8
215.14374	3.1
215.17944	30.6
217.15906	3.1
217.19522	11.8
219.17432	21.9
225.16357	4.5
227.17999	6.4
229.19576	9.6
231.17433	6.3
231.21118	4.4
233.15459	4.0
233.19037	18.8
235.16969	3.3
239.18085	2.0
241.19431	3.6
243.21194	5.1
245.19014	2.3
249.18497	2.4
250.03777	2.1
257.22614	4.9
259.20728	2.3
259.24152	2.4
261.22156	2.4
269.22507	2.4
287.23248	2.3
309.25793	3.0
343.92249	2.1
377.32269	2.4
381.31735	2.4
393.35291	3.0
395.29297	10.0
405.30832	4.0
405.35110	7.1
411.36133	9.2
423.31833	8.2
423.37030	29.5
441.32013	31.2
441.37372	45.3
455.67203	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03938	2.2
55.05509	9.7
57.07073	6.2
67.05505	23.0
69.03440	1.2
69.07064	15.7
71.08629	1.2
77.22587	1.2
79.05496	11.3
79.27136	1.1
81.07061	67.3
83.04991	1.6
83.08633	7.8
91.05484	11.4
93.07049	25.8
95.04984	1.3
95.08611	100.0
97.10170	4.2
98.07247	1.2
99.08124	1.2
105.07035	21.9
107.08600	40.6
109.06526	3.2
109.09460	2.2
109.10162	36.7
111.08082	5.2
111.11723	2.5
117.07069	3.3
119.08588	38.5
121.10143	34.7
123.08106	2.3
123.11713	21.9
124.44052	1.4
125.09658	1.3
129.07025	1.8
131.08543	7.6
133.10139	23.2
135.08025	1.5
135.11690	23.7
137.09657	1.5
137.13257	46.4
143.08591	2.9
145.10121	19.4
147.11714	15.7
149.13275	19.4
151.11208	1.4
151.14835	3.2
157.10127	4.5
159.11696	16.1
161.13260	12.6
163.11169	2.6
163.14833	14.3
165.12718	1.2
169.10127	1.8
171.11685	3.4
173.13272	14.3
175.11134	1.5
175.14842	16.3
176.10127	1.3
177.12718	2.4
177.16417	8.8
179.14374	1.7
179.17986	2.6
185.13261	3.1
187.14786	11.1
189.12662	2.2
189.16400	16.9
191.14253	2.2
191.17952	21.9
193.15878	2.1
193.19545	1.5
199.14792	4.4
201.16435	9.9
203.14290	2.0
203.17938	15.3
205.15834	6.0
205.19530	4.3
207.17451	7.1
213.16399	2.8
215.17972	13.5
217.16264	1.4
217.19580	7.1
219.17422	4.6
221.19031	2.2
225.16333	1.4
227.17955	3.8
229.19511	4.6
231.17535	1.9
231.21024	1.6
233.18973	5.3
241.19505	3.0
243.17477	2.6
243.21091	3.6
245.18979	2.1
245.22583	1.5
247.16862	1.6
255.21103	2.8
257.22797	2.1
259.20276	1.5
261.18494	2.5
261.22183	1.4
273.21991	1.8
281.22620	1.4
285.22107	1.6
355.53680	1.4
393.35031	1.6
395.36652	3.6
405.35123	2.4
411.36142	3.9
421.12662	1.3
423.36588	22.6
441.38089	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	441.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08409	2.0
53.03947	3.9
55.05513	18.4
57.07068	2.9
58.62664	1.9
64.93046	2.3
65.03938	2.6
67.05514	32.7
69.03431	4.5
69.07079	30.7
69.79517	12.4
70.93115	2.3
79.05502	26.3
81.07060	65.1
83.05019	3.6
83.08628	13.9
83.09039	2.6
85.06561	4.7
90.57130	2.1
91.05482	32.1
93.06474	3.9
93.07047	61.8
95.04959	7.9
95.08611	100.0
97.06535	8.9
97.10171	8.4
99.08060	4.7
105.07039	65.9
107.08599	95.2
109.06509	6.7
109.10158	66.0
111.08044	11.0
111.11710	4.6
113.09688	4.4
117.06972	10.3
119.08588	72.0
120.08890	3.1
121.06514	6.3
121.09323	3.7
121.10152	67.3
122.10486	2.6
123.08090	10.4
123.11707	27.8
124.43190	2.2
125.05975	2.3
125.09596	5.9
129.07018	5.9
131.08583	22.3
133.10141	54.5
135.04396	2.4
135.08025	7.1
135.11700	62.4
137.09595	6.7
137.13269	13.5
139.57510	2.3
143.08580	10.2
144.09352	2.9
144.36967	2.3
145.10126	44.4
147.08034	4.7
147.11693	46.3
149.09622	4.4
149.12190	3.4
149.13280	41.1
151.07610	2.2
151.11229	6.3
151.14874	2.6
155.08556	3.5
156.09340	3.0
157.10120	15.2
158.10913	2.8
159.11705	40.0
161.09581	3.8
161.13269	32.2
163.11183	4.5
163.14835	27.8
165.09093	4.5
165.12695	4.9
169.10094	4.2
170.10957	2.6
171.11655	13.9
173.13274	30.5
175.07538	2.2
175.11230	3.1
175.14833	30.1
177.09123	2.2
177.12782	6.1
177.16397	15.0
179.14310	6.9
181.12280	2.5
183.11685	7.6
185.13310	11.3
187.11235	3.7
187.14844	25.5
189.12778	5.1
189.16412	43.8
191.14331	7.6
191.17957	43.7
191.19597	3.7
193.15857	4.3
197.13228	4.7
199.14801	10.1
201.12750	6.0
201.16386	20.6
203.14275	12.5
203.17947	22.4
205.15903	10.2
205.19556	5.8
207.17442	33.2
209.13391	2.5
211.14841	4.1
213.16341	13.5
215.18039	18.9
217.12273	3.7
217.15872	4.9
217.19492	16.7
219.13708	2.7
219.17459	5.3
221.15312	3.1
225.16415	5.4
227.17918	5.1
229.15926	3.9
229.19548	8.5
231.17390	6.1
231.21162	6.2
233.15370	3.2
233.19066	11.0
237.16417	3.4
239.17966	5.4
241.19447	7.5
243.21074	7.3
247.20551	3.1
253.19371	3.0
257.18811	2.7
257.22665	4.0
267.21085	2.7
269.19028	3.1
279.21173	3.2
281.22559	3.1
285.22049	2.7
287.19791	3.5
297.25662	2.7
315.23196	2.4
319.23822	2.2
333.25955	2.4
395.33124	5.5
405.31363	6.9
405.35864	3.2
411.32266	3.6
423.31516	25.3
423.36429	19.7
441.32605	71.2
441.37894	26.7
466.64371	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3733
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03932	2.7
55.05517	14.2
57.07063	4.5
65.01062	2.5
65.06042	2.3
67.05509	25.0
69.07069	21.5
70.44102	2.3
71.04997	2.6
71.09531	3.8
79.05496	18.5
81.07063	50.7
83.08625	13.2
91.05485	22.0
93.07044	42.8
95.04990	4.3
95.08611	100.0
97.06538	5.6
97.10172	6.9
105.07035	47.1
107.08604	88.9
108.08904	3.1
109.06479	4.0
109.10160	70.5
110.10552	2.7
111.08073	6.7
111.11661	3.7
117.07024	5.6
119.08588	64.9
121.06485	3.7
121.10150	54.8
123.08073	5.4
123.11716	20.9
125.09618	3.3
129.07069	2.8
131.08574	18.3
133.10135	50.7
135.08072	4.7
135.11703	44.1
137.09650	3.4
137.13210	5.8
143.08490	3.5
145.10143	32.0
147.11700	38.0
149.13287	22.2
151.11172	7.6
155.08603	2.6
157.10133	8.7
159.11693	32.7
161.09641	2.6
161.13242	33.1
163.14824	24.7
165.12721	4.8
169.10083	3.4
171.11699	13.2
173.13272	26.6
175.14833	23.9
177.12794	4.9
177.16415	11.1
179.14296	13.1
185.13257	8.3
187.14850	19.9
189.16368	29.0
191.14368	4.6
191.17996	20.0
193.15913	6.3
197.13251	2.8
199.14819	6.1
201.16370	17.2
203.14240	4.1
203.17957	25.7
205.15909	15.7
205.19554	3.0
207.17455	23.7
209.13135	2.8
211.14716	2.8
213.16458	4.3
215.17947	28.8
217.19574	12.1
219.17470	11.5
221.19064	11.2
227.17964	5.6
229.19484	9.5
231.21002	3.4
233.19041	31.3
241.19516	3.3
243.21077	8.0
247.20538	10.4
249.14809	4.2
255.21072	7.0
257.22638	3.1
261.22195	5.2
269.22543	7.6
273.22086	11.7
283.24200	3.3
286.99228	2.6
287.23560	2.9
313.25455	2.9
327.26807	2.7
402.71420	2.5
405.35101	7.7
411.35922	5.1
423.31479	5.4
423.36789	38.3
441.32849	18.8
441.36993	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	441.3733
Annotation	Duryne
Peak:m/z	Relative Intensity
53.03950	1.1
55.05507	4.6
57.07072	2.2
58.01425	0.9
63.99628	0.9
67.05499	7.0
69.03429	1.1
69.07074	9.2
69.82269	2.1
69.82689	3.3
71.05031	1.3
79.05489	5.9
81.07059	18.5
83.08633	4.4
91.05490	4.3
93.07050	13.3
95.04981	1.9
95.08614	19.7
96.65664	1.1
97.06570	4.8
97.10191	2.3
100.75284	1.1
105.07047	9.8
107.08601	20.0
109.06519	3.3
109.10172	17.0
111.08067	1.3
117.07069	2.0
119.08586	10.9
121.06558	2.1
121.10159	13.7
121.13482	1.0
123.08139	1.5
123.11712	9.5
125.09676	1.5
131.08609	4.3
133.10155	11.4
135.08081	1.3
135.11711	18.1
137.09586	2.5
137.13295	2.4
139.11171	1.6
145.10158	5.3
147.11691	6.9
149.09660	2.3
149.13293	6.8
151.03906	1.0
151.11267	4.9
153.12735	1.7
157.10178	1.3
158.98637	1.0
159.11708	9.5
161.13222	5.6
163.11147	2.3
163.14891	4.7
165.09259	1.8
173.13329	3.8
175.14804	5.3
177.12801	1.6
177.16393	2.8
187.14879	3.4
189.16467	4.0
191.14378	1.1
191.17984	7.2
193.15944	4.5
199.14832	1.4
201.16426	3.0
203.18031	3.9
205.19637	2.2
207.17538	2.8
215.17996	3.5
217.19603	1.9
219.17471	8.5
221.19006	1.2
233.19041	9.0
423.36438	10.6
441.37411	100.0
442.37836	2.7
453.74591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3733
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03939	2.3
53.08607	1.4
54.21924	1.3
55.05515	13.5
57.03454	1.7
57.07071	4.7
63.02422	1.6
65.03960	2.1
65.58485	1.5
67.05512	23.1
69.07068	24.0
69.07410	2.2
69.42075	3.2
69.42491	7.4
71.04997	2.3
71.07854	1.6
71.36259	1.2
79.05506	15.3
81.07061	58.5
81.75045	1.6
83.04970	4.3
83.08616	9.6
85.06555	3.3
91.05486	21.4
91.71143	1.3
93.07049	43.6
95.04981	2.8
95.08614	100.0
97.06556	3.5
97.10168	6.9
98.21518	2.7
99.08109	1.5
105.07034	37.0
105.07684	2.9
107.08601	66.1
109.06541	5.6
109.10165	53.7
111.08092	6.5
111.11742	2.2
113.09679	2.4
117.07021	5.3
119.08592	51.2
121.06508	1.8
121.10150	53.0
123.08085	5.1
123.11705	24.9
125.09637	4.4
129.06972	2.9
131.08578	16.6
133.10138	39.3
133.11090	3.0
135.08104	2.7
135.11700	40.1
137.09584	3.1
137.13245	20.6
143.08574	6.4
144.09322	1.9
145.10150	28.3
147.11696	36.5
149.09599	1.6
149.13275	30.5
151.11177	6.1
151.14891	3.2
153.12839	1.7
155.08592	1.8
157.10152	7.3
159.11696	27.5
161.09596	2.1
161.13278	33.6
163.11217	2.4
163.14838	26.4
165.09100	2.0
165.12790	4.2
169.10226	1.9
171.11731	6.2
173.13266	24.1
175.11282	2.2
175.14833	29.2
177.12784	3.5
177.16396	15.1
179.14325	12.4
183.11723	3.2
185.13364	8.3
186.13885	1.6
187.14815	22.9
189.12775	1.8
189.16385	29.5
191.14359	5.4
191.17963	38.1
193.15924	3.3
197.13257	3.1
199.14828	5.9
201.12704	2.1
201.16394	19.2
203.14371	4.4
203.17963	24.1
205.15910	5.9
205.19545	6.3
207.17456	19.3
209.13338	2.5
211.14883	2.2
213.16380	8.3
215.14499	2.2
215.17973	25.9
217.15944	4.0
217.19467	10.0
219.17471	5.4
221.19038	3.4
225.16270	2.2
227.18051	4.7
229.15994	2.1
229.19508	7.1
231.17451	3.7
231.21074	2.7
233.15498	2.1
233.19003	21.9
241.19507	4.6
243.21077	7.6
245.19075	2.0
247.20615	3.6
253.19772	1.7
255.21085	3.4
257.22681	4.4
259.20645	2.5
259.23953	1.5
261.18503	1.9
261.22394	2.1
269.22702	3.3
271.24112	1.7
273.22095	3.0
275.23557	1.8
283.24335	2.4
289.21533	2.1
311.27377	2.2
327.47107	1.5
405.30737	2.6
405.35889	7.9
411.36093	4.0
423.36600	54.7
441.33044	24.1
441.37396	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	442.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32743	0.2
53.28833	0.2
67.05483	0.2
70.06564	0.5
71.58563	0.2
72.08144	0.3
87.04470	0.2
91.05466	0.3
119.04957	0.2
120.08099	0.2
128.09615	0.2
132.04453	0.4
133.10146	0.2
137.05943	0.3
142.21466	0.2
145.31380	0.2
164.07076	17.0
165.05458	0.3
176.07034	0.4
180.06662	0.3
181.04907	0.6
190.08708	0.3
192.06511	0.4
204.06709	0.3
206.08144	0.4
208.09700	100.0
209.10043	0.8
218.04402	0.3
218.84030	0.2
220.09602	0.3
222.07668	0.4
223.05984	0.4
224.09160	0.6
232.06001	0.4
236.09167	0.9
238.11015	0.4
248.09157	0.4
250.07144	0.6
250.10686	0.6
262.07068	0.3
266.10251	0.6
267.11066	1.5
276.08664	0.8
294.09692	3.4
320.11444	0.5
322.09277	4.0
370.25134	0.2
382.11331	6.2
399.80963	0.2
402.66428	0.2
442.13480	65.3
443.13815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.5
57.03427	4.3
57.07070	3.4
61.02917	3.8
65.83214	1.1
67.05506	5.9
69.03432	13.5
69.61237	4.0
69.61655	2.3
70.06595	1.3
71.04983	2.9
73.02905	1.6
81.03410	2.5
83.04984	1.1
85.02909	34.9
85.06525	3.2
87.04460	4.0
91.03947	2.3
95.04981	11.1
97.02885	12.3
98.97568	2.6
99.04460	1.7
109.02888	1.9
113.06012	27.0
115.03944	7.6
116.98586	1.3
119.04935	1.7
123.07912	1.1
127.03926	7.9
131.07047	100.0
132.07431	1.1
133.04968	4.5
137.05971	2.0
145.02815	1.8
145.04967	13.2
147.04402	1.1
150.07541	1.8
154.60231	1.1
157.79376	1.2
163.03932	1.8
163.06036	6.5
163.07236	1.1
165.05469	2.6
177.05458	1.6
184.73332	1.2
219.01807	1.8
237.02713	2.6
293.12335	15.4
337.98096	1.5
377.27457	1.1
442.12747	1.4
453.88388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
61.98437	0.5
68.33559	0.5
69.49186	3.7
70.91605	0.5
81.07074	0.6
81.75529	0.4
85.84614	0.5
91.05481	3.3
93.07051	7.1
95.04979	0.7
99.69075	0.5
103.05486	4.3
105.69749	0.5
121.06511	100.0
122.06816	1.1
126.81506	0.5
147.04498	0.5
149.02373	0.8
163.04105	0.5
164.07045	0.6
167.03482	0.8
181.04924	3.4
223.06064	1.6
255.08667	1.5
361.12723	0.5
365.06262	0.5
386.68674	0.5
442.18594	1.9
443.13284	0.8
448.22275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05517	1.4
56.56335	0.7
65.52013	0.6
67.05499	1.6
69.03463	0.6
69.07053	0.7
71.57755	0.9
79.05491	2.0
81.07062	2.5
83.08618	1.5
85.02898	0.8
85.27084	0.6
91.05488	7.3
93.07052	12.6
95.04966	3.1
95.08622	1.8
100.69734	0.6
103.05474	7.5
105.07034	1.5
107.08603	1.2
109.10167	1.8
112.31050	0.7
119.08604	1.8
121.06512	100.0
121.10122	1.4
131.08603	0.9
133.10118	1.6
134.10507	0.8
137.04701	0.9
137.05988	3.8
138.05498	2.5
144.08157	0.8
145.10149	0.8
147.11684	1.0
149.13310	0.8
150.05519	29.4
154.05013	0.8
164.07079	11.3
188.07095	3.7
191.14499	0.9
192.14667	1.2
198.62335	0.7
200.10683	1.1
202.12236	3.6
214.46735	0.7
218.11838	1.4
220.13321	3.2
230.11786	8.1
236.12868	1.2
248.12839	38.4
262.14426	8.2
270.11215	4.6
277.13846	0.7
290.13867	32.3
322.16641	2.9
368.18591	25.6
410.19650	7.8
442.22037	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	442.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04008	1.4
55.05502	4.8
57.03188	1.9
57.03444	27.0
61.02933	12.5
69.03437	31.3
69.07052	2.6
70.80372	3.0
70.80709	2.9
71.01358	3.3
71.05003	3.2
73.02923	51.9
79.05492	2.6
81.03425	5.7
83.08611	1.6
84.08131	1.5
85.02913	100.0
87.04486	3.4
91.03953	4.4
91.05471	4.3
93.07040	5.8
95.08602	2.2
97.02905	52.9
99.04473	4.4
103.05490	2.0
105.07047	1.8
109.02912	9.9
115.03944	37.9
118.06535	1.9
121.06529	17.4
121.10175	2.9
127.03078	2.7
127.03930	30.1
133.05014	10.5
137.94733	1.4
145.04967	64.0
146.06079	2.7
150.07616	4.1
163.06018	23.5
178.08569	3.6
204.06654	1.8
222.07698	4.0
223.05920	3.2
236.72270	2.2
241.07086	5.5
259.08099	4.9
293.19464	3.0
295.10214	2.4
295.68787	1.6
298.72015	1.6
359.66541	1.8
384.90692	1.6
424.12827	3.1
442.17429	13.0
442.22589	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	442.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.1
55.05519	3.8
56.02192	0.5
56.37834	0.6
57.03414	0.6
57.07072	2.1
59.58952	0.6
65.03979	0.7
67.05511	7.4
68.05831	0.9
69.07076	5.3
69.42246	4.6
70.07410	1.2
72.95766	0.6
72.99841	0.5
77.26469	0.5
79.05491	4.8
80.05827	1.1
81.07059	16.4
82.07393	3.7
83.04980	0.5
83.08625	3.4
84.04505	2.1
84.08952	0.9
85.06541	1.0
87.04467	3.5
91.05489	2.9
92.05807	1.3
93.07057	10.4
94.07372	3.0
95.05003	1.1
95.08612	24.4
96.08942	7.7
97.06525	1.0
97.10172	2.5
105.07041	7.4
106.07368	3.1
107.08601	15.8
107.09302	1.2
108.08911	4.9
109.06533	1.6
109.10162	13.4
110.10486	3.4
111.08057	1.0
117.07059	1.1
119.08594	10.9
119.09370	0.9
120.08910	4.6
121.10152	12.6
122.10515	4.3
123.08097	1.3
123.11729	6.0
124.08395	0.6
124.12064	2.3
125.09608	0.9
129.69899	0.6
131.08583	2.6
132.08939	1.2
133.10150	8.3
134.10484	4.4
135.08054	1.1
135.11710	10.2
136.12048	5.6
137.09618	1.6
137.13260	1.4
138.10004	0.8
138.13611	1.1
145.10121	5.1
146.10464	2.0
147.11694	6.1
148.12027	4.1
149.09665	0.9
149.13268	6.0
150.13632	3.1
152.15125	0.6
159.11684	3.4
160.12114	1.6
161.13269	4.5
162.13618	2.5
163.11226	0.6
163.14833	3.5
164.15120	2.6
171.11784	1.4
172.12068	1.0
173.13297	3.3
174.13658	1.9
175.14836	2.3
176.15189	1.4
177.16463	1.8
178.16747	2.2
179.14357	0.6
187.14862	2.0
188.15221	1.6
189.16386	8.5
190.16722	7.7
191.18019	3.8
192.18323	3.0
199.14963	0.8
201.16385	5.1
202.16695	4.1
203.18030	2.0
204.18318	2.5
207.17461	4.7
208.17790	5.5
214.16748	0.6
215.17963	1.6
216.18340	1.8
217.19533	1.1
218.19868	1.4
219.17459	18.6
220.17787	16.6
229.19666	1.1
234.19461	0.6
263.20102	0.8
264.20517	1.7
270.23013	0.8
283.59485	0.6
318.57043	0.6
406.35513	1.1
423.86438	0.6
424.36887	6.1
434.64188	0.6
442.37750	100.0
443.33383	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	442.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19159	11.9
53.46922	11.6
55.05509	22.5
57.07063	32.0
57.18812	11.0
59.49519	11.3
63.81658	12.4
67.05497	32.1
69.07061	35.6
70.04724	47.4
81.07057	67.2
82.07379	40.4
83.08608	26.6
87.04481	94.1
93.07051	40.9
95.08619	100.0
96.08929	45.5
96.32393	11.6
105.07041	18.0
107.08592	37.2
109.10159	48.6
110.10465	18.9
115.62099	11.4
119.08607	20.8
120.08871	19.4
121.06507	15.8
121.10069	27.8
122.10493	14.1
123.11713	28.3
123.85423	13.4
124.12040	23.7
133.10155	14.4
135.11713	18.0
137.13266	24.1
138.13605	21.6
139.13849	18.6
148.11986	18.7
149.13324	15.4
165.09087	14.1
215.18025	19.8
216.18323	31.0
217.18648	38.0
241.96538	10.9
244.74866	12.2
250.27126	11.8
255.84128	11.8
258.18094	14.5
261.17612	27.8
262.18372	19.9
263.19171	22.6
264.19168	16.3
313.27423	29.2
442.36810	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77131	0.3
53.14864	0.4
53.51075	0.3
57.03429	0.4
67.24524	0.3
71.32112	0.5
73.02931	0.8
81.04527	0.5
85.02881	0.5
85.70094	0.3
90.97310	0.3
109.02863	0.4
118.04261	0.3
121.06502	0.7
122.07151	2.4
123.07928	2.2
149.02122	4.4
171.97987	0.3
185.04285	0.5
221.04834	0.4
229.06868	0.8
265.41507	0.3
281.06366	0.4
281.10739	1.3
301.94165	0.4
311.07361	1.5
317.08453	9.0
443.11603	100.0
444.11938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35786	0.3
70.13256	0.7
70.13642	0.7
84.86481	0.3
93.07022	0.5
95.04963	0.5
104.00092	0.3
121.06499	3.6
127.97549	0.3
143.04665	1.2
145.67390	0.3
158.54292	0.3
231.02632	0.3
272.52032	0.3
291.04858	1.5
323.07388	2.4
326.78693	0.3
369.09427	0.4
383.10974	0.5
411.10501	11.2
443.13162	100.0
444.13495	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
57.03442	3.0
61.02917	2.1
69.03066	0.7
69.03435	7.2
69.07088	0.6
69.68578	2.6
70.06575	1.7
71.04988	1.3
72.08183	0.7
72.45847	0.5
73.02913	2.0
81.03416	1.7
84.01877	1.0
84.08142	0.6
85.02914	7.9
86.09711	1.1
87.04477	1.0
93.07065	0.6
95.01096	1.5
96.01861	1.1
97.02909	3.1
98.20798	1.0
98.97609	1.5
99.04463	1.5
103.05470	1.0
107.08582	0.7
109.02892	0.9
112.01335	0.8
113.02149	3.0
113.02800	0.6
116.98483	0.6
119.08572	0.9
127.03932	1.7
131.04973	1.6
132.06822	0.9
139.48454	0.6
145.04994	0.8
146.08377	0.7
147.09184	57.2
157.04688	1.1
159.08009	0.7
167.07077	3.0
170.40886	0.6
177.05492	0.9
185.04274	2.7
189.05211	3.7
189.10217	1.2
201.03796	0.8
203.05412	0.7
206.05545	9.2
207.06348	0.7
219.01891	1.3
237.02832	1.7
245.15395	1.1
249.07283	1.2
259.07858	1.9
263.16443	1.2
281.14984	48.3
282.15250	1.0
296.08609	0.7
348.13553	0.6
368.10648	1.4
443.15155	100.0
443.20355	83.0
444.15302	1.2
444.20718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53491	0.5
53.68224	0.5
54.03456	2.6
55.04243	2.4
56.96556	1.0
65.35397	0.5
69.03432	2.5
70.06579	0.8
70.70357	1.2
71.04990	0.8
72.08170	0.6
72.10633	0.6
73.02913	1.1
75.48792	0.5
77.45668	0.5
77.85060	0.5
78.33543	0.5
80.04995	0.8
81.03432	1.0
81.04546	20.8
82.05320	7.3
84.08125	0.7
85.02913	4.6
87.04459	0.9
91.05477	0.8
97.02906	3.1
98.97591	3.3
99.04488	0.6
105.34718	0.5
107.04962	1.2
108.05580	1.0
109.02844	0.5
110.07153	1.0
112.99162	0.6
114.03777	0.6
116.98650	0.9
121.06502	3.6
122.07159	100.0
123.07941	85.3
124.08310	0.9
126.72288	0.5
127.03925	1.0
128.98630	0.5
135.04424	0.6
136.06152	0.7
143.00133	0.7
144.04762	1.2
145.04910	0.6
149.02159	2.1
152.84196	0.6
158.99663	0.9
160.04303	2.0
163.03935	1.9
165.07765	3.5
172.04312	1.4
195.03300	0.6
219.01804	1.6
221.04970	0.7
237.02676	1.2
263.05978	0.8
273.51346	0.6
281.06766	2.3
281.10681	56.2
311.07428	1.1
317.08411	3.9
323.11746	1.4
339.07547	2.2
357.04782	0.9
413.70935	0.7
443.11429	34.4
443.16089	80.1
444.17026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04692	1.1
65.03934	2.7
67.05502	3.7
69.03441	1.8
69.07045	1.7
70.82893	2.1
78.04710	3.2
79.05502	6.6
81.07057	4.5
83.08631	1.4
85.02902	2.7
91.05486	9.9
91.36356	1.3
91.39471	1.2
93.07040	5.2
95.04974	3.2
95.08601	5.2
97.02906	2.1
99.08087	1.7
103.05484	4.9
105.07044	12.8
106.04183	1.9
107.04960	3.9
107.08599	4.9
109.06525	2.2
109.10179	3.6
110.03656	1.4
111.04423	2.2
115.05466	6.8
116.06256	2.4
117.07001	2.9
118.04215	1.6
119.04966	1.9
119.08597	8.6
121.06506	4.2
121.10142	3.5
122.03661	1.3
123.04435	7.3
124.05202	2.5
125.05992	3.7
128.06226	2.4
129.07005	7.3
130.04121	1.1
131.04936	4.2
131.08589	2.5
132.05742	3.9
133.06522	5.8
133.10167	2.7
134.39873	1.2
135.11714	2.6
137.05974	5.3
137.09659	1.3
144.05721	2.5
145.06528	3.1
145.10141	2.6
147.04376	1.8
147.08145	5.8
147.09134	1.4
147.11667	2.0
149.13321	1.2
151.03923	2.8
151.07538	17.4
152.04646	1.6
153.05495	9.2
155.07043	1.3
159.08069	9.6
159.11702	3.4
160.05179	3.8
161.06010	11.9
161.13268	2.7
163.03876	1.2
165.05478	2.8
165.09154	4.7
166.06294	2.3
167.07054	87.6
169.31880	1.1
171.04384	1.7
172.05235	4.4
174.06778	1.5
175.07561	37.7
177.05553	2.3
178.07722	2.0
179.06984	1.6
180.07846	1.7
184.05246	1.9
187.07587	20.9
189.06964	2.4
190.07813	3.0
191.07043	1.8
191.08589	4.1
192.09309	1.5
199.07555	9.1
201.16473	1.4
202.07777	3.4
203.08594	4.9
205.06453	3.5
205.08472	1.4
206.07285	2.5
207.08160	3.0
209.08035	1.9
217.06432	2.1
218.07275	3.4
219.08070	9.6
220.08980	1.5
221.06149	1.6
221.09647	2.7
222.06758	1.8
231.08044	4.6
232.08977	1.8
233.05928	2.1
233.09647	4.3
234.06769	5.9
235.07550	6.5
236.08340	3.0
237.09091	1.7
239.09135	15.9
246.06848	3.0
247.07518	8.3
248.08336	5.2
249.05399	2.0
249.09151	6.7
250.09946	1.4
251.06921	2.9
251.10628	3.8
259.07513	4.6
261.05685	1.9
261.09128	4.7
262.06473	2.2
262.09930	1.6
263.06873	2.7
263.10815	2.3
264.07901	5.6
265.08670	8.4
265.11426	1.4
266.09290	1.2
275.06985	5.1
275.10486	1.3
276.07822	5.4
277.05542	1.3
277.08698	7.6
278.09344	3.8
279.06781	1.3
279.10156	5.6
280.07120	1.4
281.08234	2.2
281.11707	3.5
281.24734	4.1
287.07050	1.6
288.07861	1.1
289.08636	3.7
290.09543	1.9
291.06982	1.9
291.09958	6.1
292.07318	3.6
293.08118	4.8
293.11523	2.5
294.08929	1.9
295.09927	1.4
296.10187	1.4
297.11234	2.2
301.08716	1.3
304.07123	1.5
305.08081	2.6
305.11719	2.0
307.09616	4.3
308.10406	3.8
309.11212	5.0
311.12762	2.4
316.53052	1.5
319.09708	8.6
320.10486	3.5
321.08002	1.3
321.11191	6.8
323.12772	4.3
324.10162	1.8
324.13492	7.3
334.11996	2.1
335.12521	1.3
336.13516	2.2
337.10587	3.8
339.12296	100.0
340.13010	12.3
341.13684	2.1
351.12323	19.5
352.13104	7.8
353.13736	1.6
383.14948	5.6
395.14838	1.6
407.33151	2.0
411.10504	1.8
413.15604	1.9
425.16019	3.4
425.34058	2.6
443.13126	22.9
443.29330	2.5
443.35092	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1918
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
53.03963	2.4
67.05499	3.2
69.03439	7.9
69.28535	1.5
70.06590	2.4
71.05001	2.0
71.58455	2.6
79.05484	4.2
79.32544	1.5
80.17327	1.4
81.07056	5.1
83.04975	4.8
84.08148	2.8
85.02892	8.6
86.09714	3.8
91.05484	7.8
93.07044	4.3
95.04970	3.3
97.02890	5.7
97.06541	5.0
103.05496	2.1
105.07032	8.7
107.08595	5.3
109.02887	2.2
109.06514	2.5
111.04444	3.9
117.07005	2.1
119.08583	8.8
121.06543	8.5
121.10143	5.1
123.04447	3.9
123.08096	3.8
125.06022	2.0
131.04948	2.2
131.08568	4.4
135.08060	100.0
137.05997	11.8
139.07637	2.1
143.08557	4.6
145.06453	3.4
145.10153	6.2
147.08034	4.0
147.11647	1.8
149.09596	4.1
151.07547	4.3
156.09351	4.5
157.10167	2.2
158.07295	2.7
159.08095	9.6
159.11691	15.0
161.09648	3.7
163.03841	2.3
163.07545	4.3
166.07722	1.8
169.10165	2.1
171.11711	4.2
172.08803	8.4
173.09621	19.6
173.13249	1.5
174.10324	1.7
175.07565	2.4
175.11191	2.0
177.62694	1.6
179.36595	1.5
184.08949	1.9
185.09630	2.6
187.07594	3.4
187.11188	47.1
197.05788	1.7
199.07553	2.1
199.11124	12.9
203.10680	13.4
215.10677	29.0
217.12271	6.3
227.10603	8.0
233.11743	54.4
245.09448	3.0
245.11772	35.1
246.14830	2.7
246.66689	1.7
263.10150	2.9
263.12833	39.7
349.10605	1.9
443.17337	2.9
443.22763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01865	0.6
55.05484	0.6
57.03429	3.0
59.05003	0.5
59.21291	0.5
61.02930	2.7
62.83254	0.4
63.88308	0.4
69.03075	0.6
69.03433	8.2
69.69210	0.6
69.69627	1.8
70.06583	1.1
71.01350	0.9
71.04982	1.2
72.08154	0.5
73.02924	2.3
81.03428	2.1
84.08141	0.7
85.02907	8.2
85.06534	0.6
87.04447	1.5
89.03898	0.5
91.03960	0.4
95.05048	0.3
97.02896	3.4
98.97579	0.7
99.04463	1.9
101.02390	0.8
103.05472	0.5
105.07028	0.5
109.02896	0.8
117.03407	0.6
117.05426	0.5
120.08096	0.5
121.10125	0.7
127.03895	1.7
131.04910	1.1
131.05972	0.6
132.06827	1.3
135.04430	0.4
137.05980	1.0
140.96822	0.4
145.02824	1.4
145.05002	0.8
146.08386	0.8
147.09177	68.7
149.05940	0.4
158.99800	0.5
159.08005	0.6
159.09187	0.9
160.09964	0.8
163.03920	1.4
163.11212	0.5
177.05461	1.5
185.04251	0.5
189.05206	0.5
189.10231	1.5
206.05533	1.5
215.07132	0.4
237.02795	0.9
245.15321	0.5
251.09172	1.3
281.14972	58.4
282.15228	1.1
323.16077	0.5
443.15115	14.0
443.20346	100.0
444.20712	2.2
461.25879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01875	3.9
55.05513	14.6
56.70534	1.1
57.03443	11.2
57.07077	3.0
59.05011	1.8
60.34808	1.1
61.02927	5.7
62.09290	1.0
63.00240	1.0
65.03941	3.4
67.05511	47.3
69.03438	100.0
69.07079	7.7
71.05005	7.0
73.02922	2.3
75.25046	1.1
79.05064	1.5
79.05502	22.6
81.03432	7.6
81.07067	48.6
83.04991	30.6
83.08627	4.0
85.02912	21.8
85.06562	1.6
87.04472	10.7
91.03956	2.0
91.05476	14.3
93.07056	32.9
95.04977	2.6
95.08615	40.9
97.02898	2.3
97.10187	2.5
99.04467	21.2
103.03954	4.2
105.07047	8.6
107.08604	21.0
109.10172	26.6
111.04461	22.9
117.05477	2.4
117.07012	4.5
119.08617	9.6
121.10160	16.2
123.08067	1.3
123.11720	13.0
127.03922	2.6
129.05498	53.8
131.08563	11.5
133.10150	7.0
135.11711	13.4
137.09621	1.6
137.13231	6.4
145.10159	6.6
147.06535	18.0
147.11743	7.6
149.13292	12.1
151.14868	1.7
159.11707	8.9
161.13303	5.7
163.14871	7.4
165.07614	14.0
165.08942	1.7
173.13248	7.2
175.14870	1.7
177.12723	1.8
177.16357	4.6
187.14851	4.4
191.17882	1.6
205.15900	1.2
207.44350	1.3
229.12407	1.4
233.22597	2.2
243.21112	15.7
245.22673	1.8
261.22171	49.8
262.22522	1.3
263.23596	3.1
279.23227	21.5
337.23758	5.3
407.27966	24.6
425.29025	7.6
443.30136	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	443.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47276	2.9
53.03936	11.3
53.67800	3.6
55.01875	7.6
55.05509	37.4
57.03426	11.9
57.07068	5.8
61.02920	9.8
65.03943	4.9
67.05164	6.4
67.05501	69.4
69.03078	7.1
69.03433	100.0
69.07062	24.8
71.04991	8.1
76.47401	3.1
79.05496	56.9
81.03403	11.0
81.07057	84.7
83.04981	30.1
83.08636	18.9
85.02903	23.2
85.06552	6.0
86.49402	3.2
87.04456	5.1
91.05486	50.4
93.07048	71.5
95.04974	11.0
95.08050	5.2
95.08608	74.4
97.06532	6.6
97.10183	5.2
98.20687	6.2
99.04472	22.7
99.08096	14.7
103.03942	4.3
103.05479	6.2
105.07030	46.8
107.08588	65.4
108.08995	3.6
108.22352	3.6
109.06486	5.3
109.10159	38.7
111.04440	18.9
117.07022	22.5
119.08582	46.9
119.53654	3.2
121.06513	34.1
121.10152	42.8
123.11707	17.5
125.09612	6.6
127.03924	5.7
127.07575	5.4
128.06241	4.6
129.05498	39.4
129.06961	17.5
131.08568	39.6
133.10139	28.3
135.08023	7.6
135.11723	30.2
137.09619	7.1
137.13258	4.7
143.08572	15.4
145.06450	4.3
145.10141	33.9
147.06482	24.0
147.11690	36.2
149.13257	22.0
154.05029	4.9
155.08591	10.4
157.10104	13.2
159.08002	6.9
159.11734	20.1
161.09618	5.0
161.13208	16.7
163.11140	6.5
163.14774	21.2
165.07581	15.4
165.09113	19.5
165.12807	4.7
167.08614	5.8
169.10182	9.2
171.11691	10.9
173.13264	13.8
175.14813	9.0
177.12871	3.9
177.16385	14.2
180.98938	3.2
181.09991	3.6
183.11703	5.1
185.13179	8.2
187.14816	13.1
189.16379	6.7
191.17918	10.0
197.13155	4.9
199.14912	5.1
201.16389	23.3
205.15912	7.9
209.13289	7.3
213.16383	4.3
219.13957	4.4
223.14723	4.7
223.16832	4.0
225.16643	3.9
233.22610	3.8
243.21063	19.9
257.15628	3.7
261.22141	51.3
267.17484	3.8
279.23276	18.2
333.21970	4.5
351.23306	14.1
353.66666	4.3
369.24179	13.5
387.25394	7.0
407.27774	15.6
407.33176	14.1
425.28070	7.0
425.34161	12.8
430.22775	3.6
443.28006	75.6
443.34744	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05519	4.0
55.05756	0.7
57.07069	2.5
67.05517	5.7
69.07072	6.6
70.74254	0.9
70.74566	1.5
71.04999	1.5
71.08638	2.1
72.92863	0.8
79.05492	3.1
81.07063	23.9
83.08614	3.5
85.06599	0.9
87.04470	1.3
91.05505	2.3
93.07043	4.3
95.08619	13.4
97.10178	2.6
97.88998	0.8
99.08099	2.9
100.91818	0.8
105.07063	2.3
107.08592	6.2
109.10172	9.8
111.11707	1.5
113.31894	0.9
115.11238	0.9
119.08605	4.6
121.10177	5.4
121.37109	0.8
122.07301	0.8
123.11705	4.1
131.08574	1.1
133.10126	2.4
135.08032	1.1
135.11708	2.4
137.09636	8.1
137.13220	1.8
145.10159	2.0
147.11679	2.3
149.09634	12.4
149.13248	1.8
150.08762	0.9
151.07530	1.1
151.14842	1.8
159.11765	2.1
159.22923	0.8
160.41576	0.7
161.09544	0.9
163.11205	5.6
163.14841	1.7
165.09128	100.0
173.09636	1.3
175.11183	2.3
176.08440	1.0
177.09143	6.1
177.12732	1.8
177.16336	1.4
179.10664	1.0
180.95923	1.0
187.11243	1.8
189.09155	1.9
191.10684	5.3
191.17964	2.8
199.11206	1.0
203.10815	1.4
203.18007	1.3
205.12254	17.3
205.15810	1.0
215.14363	1.1
217.19519	1.1
407.33347	1.0
415.32053	2.5
425.33789	6.3
443.34698	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	443.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.6
57.07063	4.6
67.05505	12.0
68.74830	1.1
69.07066	13.1
70.70177	3.3
71.08617	1.0
71.47647	1.1
76.11488	1.1
79.05501	8.9
81.07059	28.4
83.08633	8.0
85.06522	2.5
87.04432	1.3
91.05489	9.3
93.07045	22.2
95.04929	1.6
95.08608	48.3
97.06535	1.5
97.10183	5.9
105.07026	21.6
107.08597	41.6
109.06478	2.4
109.10158	25.5
111.08080	1.5
117.07016	4.3
119.08588	22.4
121.06477	1.7
121.10146	38.8
123.08070	2.6
123.11708	12.2
125.09597	2.6
129.66934	1.2
131.08577	10.6
133.10129	23.6
134.10416	1.3
135.08051	1.5
135.11700	18.1
137.09596	3.1
137.13260	7.4
139.07518	3.2
143.08556	3.3
144.09328	1.4
145.10109	15.8
147.11693	14.6
149.09645	2.5
149.12219	1.6
149.13283	14.6
151.11208	1.6
151.14885	2.3
153.09134	8.3
157.10091	3.7
159.11696	17.9
160.12227	1.5
161.13261	9.7
163.11163	1.5
163.14825	12.6
165.09172	6.4
165.12776	1.3
167.10670	2.8
171.11656	3.4
173.13268	12.6
175.11247	1.8
175.14781	7.7
177.16409	8.4
181.12209	4.5
183.11652	1.5
185.13246	4.9
187.14825	15.2
189.16385	12.2
191.17993	5.8
193.15808	1.4
196.28659	1.2
199.14806	2.8
201.16434	15.0
203.10616	1.8
203.14272	1.3
203.17937	11.0
204.18268	1.2
205.19505	2.4
207.17422	4.4
209.15434	1.7
211.14841	1.5
213.16309	3.8
215.17998	12.7
217.15750	1.7
217.19464	4.5
221.18985	2.8
223.16917	3.4
227.17989	2.1
229.19473	5.2
231.20949	1.9
233.18964	4.9
235.16930	2.3
239.18047	1.5
241.19502	1.7
243.21049	2.5
249.18451	5.1
255.21028	3.0
257.22620	1.8
261.13257	1.4
263.20151	5.9
269.22568	3.9
275.20053	1.8
283.24240	2.0
287.19888	1.6
293.22513	1.3
329.24689	1.8
365.32166	2.9
383.32898	6.4
395.32703	2.4
397.34866	1.9
407.32840	6.3
413.33920	3.5
420.09344	1.3
425.34039	37.5
426.33865	1.4
443.13071	1.8
443.33542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.78494	2.2
53.03999	2.2
55.05516	11.5
57.03432	6.4
57.07077	5.8
57.77074	2.0
67.05502	27.0
69.03439	8.3
69.07067	20.9
70.75192	5.5
75.29797	2.1
75.54906	2.3
79.05502	22.2
81.07056	50.6
83.04996	3.1
83.08613	12.5
84.08985	2.0
91.05486	18.5
93.07044	49.9
95.05019	3.1
95.08608	88.7
96.08913	2.1
96.32764	1.8
97.06540	11.4
97.10199	6.0
105.07033	49.8
105.07687	3.8
107.08588	65.8
107.09299	3.5
109.06553	8.1
109.10153	43.2
111.08089	3.9
117.07043	6.0
119.08590	52.7
121.06527	14.6
121.10146	60.0
121.11040	3.4
123.08060	10.7
123.11713	22.8
125.09691	2.1
129.05496	2.6
129.07011	2.6
130.07822	3.1
131.08557	20.3
131.09364	2.0
133.06467	3.3
133.10130	45.2
135.08057	15.5
135.11691	52.2
137.09712	3.1
137.13307	9.7
142.07837	2.3
143.08557	11.3
145.10132	23.8
145.97430	2.0
147.08054	5.3
147.11690	31.1
149.09637	11.0
149.13263	22.9
151.11243	4.0
151.14920	3.5
153.09166	2.5
155.08533	2.4
157.10161	15.1
159.11682	23.7
161.09677	7.5
161.13245	24.8
161.14503	3.3
163.11189	2.1
163.14830	23.3
169.10147	3.2
170.10869	2.2
171.11751	7.9
173.09517	2.1
173.13237	17.7
173.41306	2.0
175.11186	6.9
175.14818	20.9
177.12756	2.6
177.16463	8.6
179.14336	3.6
183.11737	3.7
185.13237	10.7
187.14832	13.9
189.12766	2.4
189.16353	17.4
191.14406	3.4
191.17947	60.9
191.19577	4.0
193.12381	3.2
193.15863	2.9
195.11856	2.4
199.14891	9.2
201.16454	9.8
203.14337	15.3
203.17941	21.8
205.16000	4.0
205.19563	6.1
207.13919	2.9
207.17546	4.8
211.14857	3.7
213.16447	6.0
215.14354	3.4
215.17995	5.4
217.15962	7.6
217.19496	11.1
219.17484	4.6
221.15326	10.8
225.16516	2.7
227.17928	3.4
229.19528	4.1
231.21155	3.9
233.19080	2.8
235.16902	14.8
353.28586	2.4
371.29373	2.7
389.32504	2.9
397.30670	3.9
407.33200	19.0
425.34058	64.3
426.34464	4.6
443.35391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03943	0.5
55.01878	0.4
55.05511	2.1
57.03434	0.5
57.07082	0.7
59.90504	0.3
65.03940	0.4
67.05507	3.9
69.03432	3.8
69.07071	2.7
69.79868	1.8
71.04984	0.4
79.05502	2.1
81.07060	8.0
83.04990	2.4
83.08620	1.2
85.02921	1.0
91.05487	2.2
93.07044	5.7
95.04981	1.3
95.08611	12.0
97.06536	0.8
97.10136	0.4
98.30266	0.4
99.04456	0.5
105.07039	4.7
106.66594	0.4
107.08590	9.4
109.06551	0.8
109.10152	5.8
109.10834	0.5
111.04456	0.6
111.08088	0.7
117.07024	0.6
119.08589	7.7
121.06519	1.7
121.10157	7.0
123.08059	1.2
123.11700	3.4
129.05492	1.8
131.08565	2.2
133.06526	0.4
133.09209	0.7
133.10133	5.1
135.08073	1.6
135.11687	5.2
137.13283	1.1
137.33885	0.3
143.08566	1.2
145.06520	0.4
145.10135	2.9
147.06555	0.9
147.08078	1.9
147.11687	4.9
149.09618	2.0
149.13269	3.1
149.14430	0.6
155.08572	0.5
157.10150	1.9
159.08090	0.5
159.11702	3.4
161.09628	3.3
161.13263	2.9
163.11192	0.6
163.14838	1.8
169.10153	0.6
171.11734	2.1
173.09583	0.4
173.13283	2.7
175.11249	1.9
175.14854	3.6
177.12703	0.5
177.16386	3.3
179.14346	0.6
183.11688	0.4
185.13293	1.0
187.11217	1.1
187.14853	1.7
189.12778	1.5
189.16350	3.9
191.14328	0.6
191.17953	1.0
197.13205	1.1
199.14870	1.3
201.12794	0.8
201.16393	1.1
203.14365	0.7
203.18031	0.6
205.15904	0.7
207.17435	0.9
211.14911	0.5
213.16425	1.1
215.14388	1.0
215.17993	0.9
217.15912	2.2
227.17953	1.9
229.19504	0.7
231.17456	4.3
233.18968	0.4
235.16881	2.6
241.19490	0.4
243.17418	0.5
243.21092	1.1
245.18979	0.6
253.19536	0.5
255.20973	0.5
257.19104	0.6
261.22159	2.0
267.21173	0.5
271.20560	2.0
279.23215	0.7
285.22180	0.8
289.21933	0.5
293.22794	0.6
311.23764	1.0
329.24844	0.8
407.27933	1.1
407.33246	1.7
425.34116	9.9
426.34503	0.4
443.35220	100.0
444.35651	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3525
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.65978	4.7
55.05509	13.3
57.03458	4.6
57.07069	4.9
67.05510	27.9
69.07071	18.3
71.57796	4.1
79.05499	17.5
81.07063	44.8
83.08627	11.6
91.05476	15.2
92.61763	4.3
93.07048	32.5
95.04993	5.6
95.08615	53.7
97.06523	4.6
97.10163	9.2
105.07030	31.9
107.08608	52.9
108.23941	3.8
109.06501	9.3
109.10162	38.3
119.08591	50.0
121.06481	6.4
121.10159	39.1
123.08034	6.7
123.11715	18.8
131.08623	9.2
133.10132	34.7
135.08069	9.3
135.11725	36.3
137.09622	9.7
137.13275	6.1
139.11198	5.0
143.08575	6.8
145.10094	25.3
147.11702	25.6
149.09653	10.2
149.13258	14.7
151.11176	14.1
153.12871	5.3
157.10133	11.7
159.11717	32.5
161.09647	8.1
161.13284	20.3
163.14839	29.4
165.09132	8.7
171.11693	13.0
173.13239	14.3
175.11115	6.5
175.14807	8.8
177.12793	6.5
177.16417	8.8
179.14316	35.1
183.11627	8.8
185.13303	13.7
187.14842	12.9
189.16389	15.7
191.17981	14.3
199.14856	11.0
201.12843	5.0
201.16411	18.7
203.14264	9.0
203.17989	21.1
207.17575	6.4
213.16426	6.0
215.17918	6.3
217.15866	30.9
217.19466	8.0
227.18045	10.3
235.16931	27.2
240.91917	4.4
255.21017	7.7
267.18018	4.4
267.21170	4.5
273.22095	5.4
283.20554	5.3
389.32083	10.3
407.33115	100.0
425.34055	71.1
443.35150	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	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.59056	4.5
53.03958	7.8
55.01857	7.2
55.05504	15.7
57.07085	7.3
63.50826	4.3
67.05497	32.3
69.03423	13.1
69.07072	30.3
69.88197	9.6
69.88612	20.2
70.06590	4.7
73.18481	4.1
79.05482	36.7
81.07063	66.5
83.04980	6.4
83.08619	18.1
85.06548	9.3
91.05485	37.7
93.07047	75.2
95.04966	6.1
95.08608	85.3
97.06511	4.8
97.10186	7.8
98.20860	6.3
99.08115	23.0
102.87804	4.6
105.07037	84.5
107.08598	98.8
109.06510	9.6
109.10168	54.3
111.08096	12.2
117.07021	7.6
119.08584	100.0
121.06535	6.9
121.10151	67.2
123.08039	7.2
123.11718	22.8
129.07013	9.5
131.08568	38.5
133.06490	5.8
133.10138	68.8
135.08061	13.7
135.11699	59.9
137.06007	13.4
137.09579	7.0
137.13246	14.3
139.60030	5.0
143.08571	9.2
144.09300	5.4
145.10129	45.9
147.08015	8.5
147.11700	73.3
149.09636	7.7
149.13274	19.5
151.11226	7.5
157.08951	4.9
157.10062	22.9
157.56671	4.6
159.11673	37.7
161.13283	32.6
163.11188	6.2
163.14810	20.1
165.09129	34.5
165.12802	4.2
169.10165	6.4
171.11749	10.1
173.13303	35.6
175.11198	9.7
175.14822	33.9
177.09357	4.1
177.12695	6.8
177.16341	9.9
179.14250	7.7
182.13361	4.3
183.11714	10.1
185.13289	17.9
187.14833	39.1
189.16420	45.7
191.14305	5.6
191.17950	28.2
193.15871	5.1
197.13222	6.2
199.14828	21.2
201.16417	36.6
203.14348	26.7
203.17935	10.3
205.15833	13.1
207.17456	44.8
213.16429	9.2
215.17915	10.0
217.15892	15.6
217.19470	13.6
219.01752	7.2
219.17352	7.4
221.15436	8.3
221.18988	4.6
223.16920	8.2
225.16414	5.0
227.17931	9.2
229.15952	5.1
229.19370	5.4
231.17503	6.8
235.16939	6.3
261.22278	7.1
279.03964	6.3
285.22113	4.8
321.04703	6.3
353.28409	5.9
371.29428	5.9
394.58176	4.9
407.33145	35.3
425.34424	51.5
443.12772	13.6
443.35617	85.8
444.34872	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	443.3883
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05508	12.2
57.03442	2.7
57.07079	3.6
58.37857	2.2
66.81224	2.0
67.05512	22.0
69.07066	19.0
70.90760	5.2
72.80405	2.0
79.05485	12.4
81.07063	45.9
83.08624	11.0
85.06528	4.2
85.84088	2.0
87.26055	1.9
91.05484	10.9
93.07052	36.2
95.08614	100.0
97.06512	2.4
97.10184	5.8
105.07044	23.1
107.08602	60.0
109.10161	64.7
111.08070	2.9
111.11713	2.8
119.07803	3.4
119.08597	33.3
121.10155	66.1
123.11719	31.3
125.09650	6.9
131.08614	3.6
133.10144	19.9
135.11710	45.9
137.13266	6.0
139.11166	5.4
145.10153	6.1
147.11696	27.2
149.13258	23.8
158.34547	2.2
159.11719	6.0
161.13281	23.4
163.14832	34.1
165.12761	3.0
166.92827	2.3
173.13260	4.1
175.14851	11.1
177.16399	14.3
179.14308	5.6
187.14882	4.9
189.16397	12.2
191.17967	98.2
201.16422	2.9
203.17960	27.3
205.19542	8.1
207.17451	3.5
215.18008	7.1
217.19537	39.7
221.19019	13.1
229.19547	3.4
231.21002	5.2
233.19093	4.3
235.20578	45.2
243.21341	2.8
249.21991	2.7
284.38672	2.3
298.15726	2.5
329.28418	5.6
395.36789	6.8
407.36734	6.6
413.38004	10.9
425.37741	42.9
443.38879	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3887
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
51.98407	1.8
53.03958	2.2
55.05516	10.1
57.07051	3.8
67.05509	12.9
68.83143	2.2
69.07076	17.1
71.04990	4.0
71.57507	2.4
79.05493	10.8
81.07059	37.0
82.97945	2.0
83.08625	6.8
91.05451	9.8
93.07048	34.3
95.08616	67.1
97.06503	2.4
97.10175	5.4
99.08090	6.4
105.07047	20.6
107.08601	55.1
109.10160	49.4
111.08101	2.6
119.08590	35.3
121.10149	45.3
123.08125	2.5
123.11720	25.2
127.11227	14.1
131.08592	4.4
133.10136	38.8
135.11699	46.5
137.13249	12.5
144.01392	1.9
145.10109	5.5
147.11711	35.2
149.13277	28.7
151.14815	2.3
159.11714	14.8
161.13263	26.0
163.14824	14.6
173.13252	4.1
175.14824	13.1
177.16405	10.5
179.14262	2.6
187.14822	3.6
189.16397	16.1
191.17957	100.0
194.42357	2.0
201.16382	9.9
203.17957	30.4
205.19547	7.6
207.17404	3.4
215.17932	6.1
217.19527	40.3
219.21024	2.5
221.19017	3.7
231.21095	4.5
233.19005	6.4
235.20528	4.9
243.20836	2.5
271.86041	2.0
273.53510	2.0
289.19568	1.9
407.36658	12.0
425.37833	71.3
443.33380	36.1
443.38956	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	443.3885
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05511	12.6
57.07070	4.5
67.05164	2.4
67.05505	22.4
69.07063	17.4
70.75175	5.2
79.05489	15.4
81.07060	51.6
83.08610	9.6
91.05470	12.0
93.07052	33.9
95.08612	100.0
97.10169	8.1
105.07035	29.5
107.08604	60.6
109.10161	66.1
111.08076	3.5
111.11736	2.8
117.07036	2.5
119.08586	34.3
121.10152	52.2
123.11717	26.2
125.09645	7.8
131.08604	3.8
133.10136	27.3
134.83737	1.8
135.11699	35.4
137.13246	9.2
139.11197	1.9
145.10139	7.3
147.11707	26.8
149.13252	29.9
151.14821	2.7
159.11700	9.0
161.13280	29.0
163.14833	39.2
165.12758	1.9
173.13284	6.1
175.14815	15.4
177.16386	24.1
179.14314	4.3
179.17935	1.6
187.14825	8.3
189.16379	15.0
191.17952	84.4
201.16367	9.5
203.17964	36.9
205.19553	11.0
207.17459	5.1
215.17998	6.0
217.19514	54.4
221.18980	16.4
229.19556	3.5
231.21078	5.2
233.19052	4.5
233.22694	1.9
235.20587	31.6
243.20995	2.2
245.22717	4.3
263.23810	3.0
279.87656	1.6
395.36908	11.6
407.36847	10.0
413.37894	16.6
425.37808	45.3
443.33676	8.6
443.39221	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	443.3887
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.51192	1.2
53.03959	2.0
55.05511	14.7
57.07074	4.8
61.23793	1.2
65.03928	1.7
67.05508	22.1
69.03419	1.4
69.07071	19.0
70.97826	4.0
71.08617	1.4
72.96460	1.2
79.05499	11.7
81.07063	48.7
83.08627	12.0
85.06581	1.6
91.05495	11.7
93.07040	34.8
95.04983	1.5
95.08612	100.0
97.06547	2.2
97.10168	10.8
105.07040	29.0
107.08602	60.6
109.10162	67.4
111.08082	3.9
111.11741	4.8
113.09655	1.4
119.08591	38.8
121.10152	52.0
123.10825	2.5
123.11711	28.5
125.09602	6.2
129.05482	1.9
131.08585	4.8
133.10135	23.5
135.11705	30.8
137.13264	9.2
139.11186	2.5
145.10136	7.3
147.11681	23.7
149.13269	26.2
151.11082	1.4
151.14812	3.6
159.11748	9.4
161.13277	24.0
163.14825	32.3
165.09192	1.6
165.12749	2.1
173.13274	4.4
175.14847	16.3
177.16406	26.4
179.14336	5.5
187.14856	10.0
189.16402	18.1
191.17955	73.4
193.15811	2.5
193.19772	1.3
201.16447	6.6
203.17964	37.7
205.19534	13.0
207.17496	5.0
213.16512	1.7
215.17989	8.5
217.19537	50.0
219.17632	1.4
219.21086	2.3
221.19044	14.6
227.17952	2.0
229.19536	2.8
231.21130	6.6
233.18993	5.6
235.18425	2.5
235.20599	31.4
243.21117	2.8
245.22615	3.8
249.22116	1.5
261.22260	2.3
263.23758	3.3
311.27203	1.5
395.36710	13.4
397.38193	1.3
407.36740	5.8
413.37830	17.2
425.37979	40.6
430.00696	1.4
443.33249	10.0
443.39276	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	443.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30196	1.4
53.03942	3.4
55.05518	13.0
57.07056	4.1
65.03925	1.5
67.05187	1.8
67.05512	28.8
69.03406	5.2
69.07072	19.9
71.04980	1.7
79.05499	15.1
81.07063	56.0
83.04979	2.2
83.08625	11.8
85.02890	2.6
85.06545	3.5
91.05485	13.5
93.06493	2.2
93.07051	39.2
95.04951	2.7
95.08611	100.0
96.08914	1.7
97.06509	5.7
97.10165	7.6
99.08057	4.9
105.06395	2.1
105.07038	29.5
107.08601	64.2
109.06514	2.7
109.10162	94.2
111.08065	6.0
111.11667	4.1
115.45262	1.3
117.07028	2.0
119.08593	41.5
121.10147	51.9
123.08070	3.4
123.10968	2.1
123.11722	27.9
125.09590	5.1
126.89554	1.5
127.11163	5.8
131.08531	5.4
133.10133	34.9
135.08055	3.2
135.11702	40.1
137.09569	2.0
137.13284	10.0
143.08545	2.3
145.10181	9.9
147.10655	2.1
147.11700	27.6
148.63240	1.4
149.12204	1.8
149.13268	26.2
151.11128	2.5
151.14767	3.1
157.10017	2.2
159.11707	13.6
161.09586	2.5
161.13268	25.1
163.14842	23.0
165.09091	2.2
165.12692	3.4
171.11714	2.9
173.13264	7.6
175.11087	2.1
175.14848	17.5
177.16408	11.5
179.13193	1.1
179.14334	9.9
185.13312	2.3
187.14804	7.9
189.16396	24.3
189.17950	3.0
191.17957	51.5
193.15880	2.0
199.14815	2.8
201.16364	7.9
203.14189	5.1
203.17960	20.7
205.15891	3.2
205.19476	8.7
207.17474	11.7
213.16389	3.3
215.17908	5.7
217.15865	5.4
217.19484	24.4
219.17432	4.4
219.20981	2.7
221.18980	4.8
229.19505	2.8
231.17407	9.3
231.21065	3.2
233.18893	4.0
235.20541	7.3
243.21010	3.6
245.22646	3.6
257.22672	1.6
261.21994	2.6
271.20471	4.7
275.23608	1.7
285.22165	1.7
297.25754	2.5
299.27374	3.4
397.34546	1.7
407.32535	4.2
407.36771	4.4
425.33133	7.1
425.38416	36.3
443.34927	55.6
444.35321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3889
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05513	11.7
56.31485	1.8
57.07088	2.5
65.03916	2.5
65.08607	1.7
67.05511	29.7
69.07078	19.6
69.14342	1.8
71.06244	3.6
79.05495	14.0
81.07066	54.5
81.07527	4.1
83.08609	11.2
91.05507	7.4
93.07060	35.5
95.05004	2.4
95.08614	100.0
96.08975	2.1
97.06554	3.3
97.10184	6.2
97.72157	1.5
99.08104	3.8
104.80573	1.7
105.07034	27.7
107.07873	3.6
107.08604	65.4
109.06445	2.3
109.10165	95.9
111.08099	5.1
111.11772	3.2
112.27480	2.0
117.07022	1.9
119.08584	39.2
121.10151	53.2
123.08096	4.3
123.11720	26.8
125.09667	3.3
127.11260	3.1
129.06972	1.9
131.08591	7.4
133.10156	30.4
135.11714	42.0
137.13239	11.2
144.06052	2.5
145.10085	10.6
147.11705	30.0
149.09535	2.2
149.13263	28.7
151.11113	2.0
151.14830	2.4
157.10143	2.2
159.11736	14.2
161.09593	1.7
161.13264	22.5
163.14836	29.8
165.09117	2.6
165.12772	5.0
165.55295	1.8
171.11737	3.2
173.13315	8.7
175.14822	14.5
177.16365	14.1
179.14365	7.6
185.13307	4.1
187.14798	10.0
189.16408	21.5
191.17978	38.7
201.16422	11.2
203.14290	7.4
203.18005	29.5
204.18492	1.7
205.15964	5.1
205.19514	8.8
207.17465	9.6
213.16408	2.7
215.17949	6.5
217.19539	27.0
219.21184	3.3
221.19046	8.1
229.19600	3.7
233.19019	3.0
235.20610	7.9
241.19386	2.7
243.21077	3.6
245.22670	3.1
256.99377	2.0
297.25735	3.7
299.27457	3.4
331.30157	2.0
407.32828	6.3
407.37067	5.0
425.33633	13.9
425.38754	32.3
443.34360	47.9
443.39798	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	443.3888
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05513	13.1
57.07075	3.0
65.03913	2.7
67.05172	2.7
67.05508	34.8
69.07070	24.1
70.65791	2.6
70.66119	4.9
70.87513	2.1
79.05499	15.1
81.07059	57.3
83.08617	8.2
85.02908	4.0
85.06490	2.1
91.05486	12.1
92.03303	1.9
93.07053	41.2
94.86870	2.3
95.08616	100.0
97.06551	5.4
97.10175	6.3
99.08085	2.5
103.55372	2.0
105.07031	26.0
107.08601	66.1
109.10163	96.6
111.08060	3.6
111.11650	3.4
118.68915	1.8
119.08585	37.7
121.09322	3.4
121.10157	53.9
123.08095	4.4
123.11731	25.3
125.09622	8.2
127.11190	4.5
131.08575	4.8
131.18123	1.9
131.93950	2.0
133.10135	31.3
135.11705	46.2
136.12016	2.1
137.09634	2.4
137.13260	11.1
145.10139	13.3
146.98874	2.4
147.11694	26.1
149.13272	26.5
151.14801	2.8
153.12856	2.2
159.11696	12.1
161.09695	2.4
161.13281	23.8
163.14835	27.5
165.09192	3.2
165.12782	4.6
173.13322	10.0
175.14836	12.7
177.16396	12.4
179.14346	12.2
187.14801	8.1
189.16374	18.0
191.17960	50.3
192.47708	2.3
201.16385	6.9
203.17981	29.1
205.19519	8.2
207.17477	6.9
212.60657	2.0
215.17989	7.5
217.19550	28.3
219.21121	4.7
221.19002	7.4
229.19513	3.4
231.21075	4.0
233.19008	7.8
235.20601	6.2
245.22603	2.6
257.22522	2.2
297.25870	2.6
299.27390	4.4
307.82397	2.1
310.93600	2.3
331.29968	3.3
406.45697	2.2
407.36746	7.3
425.38065	48.7
443.34775	13.7
443.39108	15.1
458.08109	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
53.21501	1.3
55.05509	9.7
57.07062	5.5
57.40568	1.2
63.84060	1.2
67.05509	21.5
69.06725	1.7
69.07069	19.7
70.75317	3.4
70.75679	2.6
71.08608	1.4
79.05491	11.2
80.87515	1.5
81.07059	50.8
83.08616	10.0
85.06525	2.2
88.05257	1.3
91.05476	9.6
93.06468	2.2
93.07047	32.7
94.57135	1.4
95.04977	1.9
95.08609	100.0
97.06541	2.1
97.10168	8.5
99.08073	1.7
105.07033	28.1
107.08598	47.7
109.10162	54.4
111.08074	3.0
111.11735	2.1
117.06987	2.1
119.07803	2.4
119.08589	34.9
121.09322	2.6
121.10149	43.7
123.08088	2.6
123.11725	21.2
125.09616	5.2
125.10478	1.4
125.13239	1.3
131.08566	5.7
133.10144	26.3
135.08087	2.3
135.11700	30.4
137.09634	1.9
137.13268	18.1
139.11171	4.9
143.08601	2.9
145.10149	11.5
147.11696	23.4
149.13264	23.0
151.11168	1.6
151.14780	3.1
153.12743	1.6
157.10083	4.7
159.11708	13.5
161.13274	19.2
163.11081	1.8
163.14839	21.8
165.12711	2.6
167.03381	1.9
171.11641	5.4
173.13251	8.6
175.14818	15.4
177.12671	1.4
177.16391	15.3
179.14313	4.9
179.17935	3.4
185.13206	3.4
187.14880	8.8
189.16370	15.6
191.14302	2.2
191.17958	55.7
193.19637	2.3
197.13310	1.5
199.14771	4.1
201.12674	1.8
201.16385	7.8
203.14270	1.4
203.17947	20.6
205.15915	2.6
205.19559	6.5
205.30363	1.6
207.17534	6.5
213.16353	3.3
215.17967	6.4
217.16029	2.8
217.19490	26.8
219.17485	2.0
221.19067	8.7
227.17984	3.3
229.19507	4.2
231.17511	1.4
231.21024	4.2
233.19112	4.3
235.20575	23.2
243.21001	2.9
245.18932	2.0
245.22766	2.9
247.20566	2.7
249.22052	2.3
257.22620	2.7
259.24283	1.9
263.23654	2.8
301.25192	1.6
329.28351	1.7
353.28271	2.8
395.36667	5.5
397.29681	1.6
397.34369	2.0
401.34189	8.6
407.32864	5.2
407.36887	4.5
413.37704	4.7
425.32944	3.7
425.38519	21.8
443.34644	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	443.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.05510	13.0
57.07085	6.2
65.03922	1.8
67.05508	22.5
69.07072	20.7
70.55190	2.8
70.55565	2.7
70.70529	1.2
71.04984	1.3
71.34542	1.3
77.03955	1.4
77.85963	1.4
79.05495	16.4
81.07056	55.7
83.04955	3.1
83.08612	9.7
85.06501	2.0
91.05480	11.8
93.07041	38.8
95.04998	2.6
95.08608	100.0
96.08930	2.0
97.06535	4.5
97.10180	8.2
99.08085	1.9
105.07039	31.3
107.08598	68.0
109.06519	4.6
109.10159	60.2
109.10922	2.0
110.10529	1.2
111.08066	4.0
111.11727	4.6
117.07000	3.5
119.08582	45.4
120.08912	1.7
121.10146	56.7
123.08087	4.3
123.11713	27.1
125.09634	5.0
129.07048	2.1
131.08574	8.3
133.10144	34.2
135.08063	2.9
135.11700	38.8
137.09615	2.6
137.13254	13.2
139.11166	2.2
143.08588	4.0
144.09315	1.7
145.10114	18.4
147.08183	1.4
147.11693	32.6
149.09619	2.6
149.13272	26.5
151.11179	2.2
151.14812	3.4
153.12732	1.7
157.10117	4.7
159.07957	1.5
159.11693	16.4
161.13264	25.1
163.11218	1.4
163.14830	29.4
165.09218	1.8
165.12767	4.2
171.11685	4.3
173.13293	12.3
175.14836	20.2
177.12762	4.1
177.16400	25.6
179.14328	5.6
182.59764	1.3
183.11661	1.9
185.13269	5.1
187.11177	1.7
187.14841	16.5
189.12814	2.3
189.16394	19.8
191.17953	54.7
192.14615	1.6
199.14799	4.0
201.12724	8.5
201.16379	11.9
203.14424	4.2
203.17947	28.7
205.12201	2.3
205.15904	23.5
205.19528	11.6
207.17409	7.8
211.14832	1.4
213.16350	3.7
215.17989	7.6
217.12323	2.3
217.16124	1.7
217.19537	35.2
219.13870	2.9
219.17505	3.8
219.20917	1.3
221.18988	10.0
223.16888	3.1
227.17957	3.8
229.19513	6.5
231.13866	3.4
231.21036	5.3
233.19031	5.9
233.22620	1.8
235.17012	1.7
235.20549	22.7
243.21242	2.7
245.22615	3.5
247.20564	3.5
249.14844	13.4
253.19788	1.7
255.21196	2.7
257.22656	2.7
261.21875	2.2
269.22446	1.8
283.24353	1.5
285.25687	1.8
329.28366	1.7
389.31952	1.4
395.36630	8.3
407.32532	2.9
407.37573	6.6
413.37964	10.6
425.32913	4.3
425.38565	26.9
443.35242	62.9
444.35895	1.8
447.15588	1.4
464.51965	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78589	1.3
53.03945	2.3
55.05512	14.7
55.50720	1.3
57.03424	1.1
57.07072	3.9
57.35831	1.2
59.04995	1.6
65.03958	2.2
65.08733	1.1
67.05167	2.4
67.05508	27.6
69.07072	23.1
69.70897	6.6
71.04977	1.2
71.08629	1.5
79.05499	13.7
80.76688	1.4
81.07060	55.0
83.08616	11.6
85.06563	1.7
91.05470	15.3
93.07045	39.7
95.04977	1.8
95.08611	100.0
96.08963	1.4
97.06566	3.0
97.10168	10.1
99.08087	3.9
105.06359	0.9
105.07034	27.8
107.08597	65.4
109.06496	2.2
109.10162	67.8
111.08081	5.2
111.11734	3.0
119.08594	40.9
119.74949	1.2
121.06506	1.9
121.10145	53.9
122.10512	1.2
123.08067	3.2
123.11718	28.5
125.09623	6.0
129.06960	1.4
131.08594	8.5
133.10133	30.9
135.08072	3.7
135.11696	38.5
135.12711	2.2
137.09634	1.5
137.13240	10.1
139.11198	3.1
143.08592	1.2
145.10138	13.2
146.10559	1.4
147.08173	1.7
147.11697	27.6
149.13266	22.4
151.11192	2.9
151.14819	2.2
157.10136	3.2
159.11717	12.7
161.13266	27.2
163.11205	1.2
163.14833	35.4
165.09125	2.2
165.12796	2.5
165.16408	1.9
166.41110	1.1
166.42751	1.2
167.03415	2.4
171.11705	3.7
173.13228	6.6
175.14844	19.9
177.12755	2.2
177.16396	22.7
179.14319	5.4
183.11562	1.4
184.04544	1.3
185.09630	1.3
185.13264	3.2
187.14832	11.1
189.16397	21.2
191.14362	3.2
191.17963	72.3
193.15881	2.0
199.11212	1.5
199.14842	2.6
201.16409	8.0
203.14406	3.0
203.17967	33.8
205.15918	4.1
205.19554	11.0
207.17419	8.2
213.16350	2.0
215.17905	7.2
217.16183	1.7
217.19528	45.1
221.19012	14.7
227.17964	2.2
229.19566	3.6
231.21054	4.3
233.18945	4.5
235.20570	26.2
245.22659	4.6
259.24228	2.9
263.23630	2.1
269.22672	2.5
279.03995	1.7
329.28394	1.9
388.33685	1.4
395.36786	6.8
397.31107	3.2
397.38403	1.8
407.32431	3.0
407.36826	4.8
413.37863	13.3
422.25928	1.2
425.38275	29.9
443.30362	5.5
443.35519	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	443.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
54.84514	1.6
55.05512	20.7
57.03436	9.3
57.07069	5.3
61.02921	4.5
64.31250	1.4
65.03934	2.6
66.43262	1.4
66.89153	1.4
67.05506	47.7
69.03431	57.1
69.07067	25.8
70.75365	3.6
71.05004	4.1
71.08637	2.3
71.10168	1.6
73.02911	1.7
79.05494	23.8
81.03426	4.6
81.07059	81.4
83.04980	18.4
83.08617	13.9
85.02888	10.8
85.06556	2.0
85.51321	1.5
87.04466	5.7
91.03934	2.0
91.05476	20.0
93.07046	51.6
95.04987	4.4
95.08608	100.0
97.06549	4.2
97.10173	7.5
99.04444	13.0
103.03934	2.7
105.07035	31.9
107.08592	64.5
109.06530	5.0
109.10155	66.0
110.10519	1.6
111.04441	12.8
111.08113	3.8
117.05464	1.6
117.07020	5.8
119.08584	42.3
121.10149	52.4
122.10454	2.0
123.08043	3.5
123.11709	29.2
125.09625	5.7
129.05476	29.8
131.08582	13.5
133.10132	28.6
135.08083	2.1
135.11696	42.0
137.09656	2.4
137.13239	14.0
139.11121	2.1
143.08568	2.6
145.04971	2.1
145.10123	12.9
147.04433	1.9
147.06519	12.8
147.11696	28.5
149.09549	2.4
149.13248	27.3
151.11151	3.0
151.14827	3.7
153.12750	2.4
157.10138	4.0
159.11679	16.8
161.13263	25.1
163.11176	1.7
163.14818	32.9
165.07591	10.0
165.08972	2.6
165.12788	2.1
171.11853	3.2
173.13243	14.3
175.11264	2.1
175.14822	16.8
177.16397	21.2
179.14351	8.7
183.08374	1.9
185.13210	1.9
187.14828	14.9
189.16397	17.7
190.16740	1.8
191.17946	51.8
191.38161	1.6
195.13708	2.8
197.13295	1.8
199.14827	4.5
201.16356	9.0
203.14413	2.9
203.17957	26.7
205.15996	1.9
205.19525	9.3
207.17467	6.5
213.16423	2.1
215.17937	8.4
217.15912	4.5
217.19493	31.0
219.17435	2.1
219.21181	3.3
221.19070	10.1
227.17902	2.3
229.19557	3.9
231.17496	2.5
231.21077	2.8
233.19029	3.4
233.22728	2.0
235.16992	13.0
235.20535	13.3
243.21095	11.9
245.19148	2.3
245.22652	2.9
247.17400	1.6
247.20453	3.2
255.21054	2.5
257.22641	2.3
261.22165	30.2
263.23810	3.0
279.23212	12.8
372.89319	1.6
395.36716	7.2
397.31085	3.1
397.38156	2.0
407.28122	15.5
407.36661	4.5
413.37823	9.8
425.28995	6.7
425.38483	21.5
443.30551	6.2
443.35162	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	444.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03961	1.0
68.99174	0.7
69.32655	1.6
69.33074	4.0
70.06570	0.9
91.05491	20.2
93.03407	0.7
109.06537	1.4
111.04472	0.7
119.04963	10.5
121.02839	0.7
121.06491	1.6
137.05991	100.0
143.83936	0.8
149.02354	1.6
153.05487	0.8
181.04984	2.2
205.04951	1.2
205.12097	0.7
208.09721	1.6
210.10156	0.9
223.05994	2.5
226.10753	0.8
241.35234	0.8
333.87097	0.8
404.89258	0.7
444.14020	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	444.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73314	0.4
56.90688	0.5
63.97021	0.5
65.03953	0.8
69.19872	2.3
69.20302	2.7
70.06591	0.5
75.43946	0.4
79.05503	0.6
81.07047	0.6
91.05488	19.3
93.07039	0.5
97.02859	0.5
98.20693	1.0
107.04958	0.5
109.06508	1.3
111.04382	0.6
119.04949	13.2
121.02896	1.4
121.06467	0.9
135.04411	0.8
137.05988	100.0
138.06287	0.6
147.04414	1.3
149.02330	2.2
149.87360	0.5
158.01768	0.5
165.05490	0.8
181.04974	1.3
191.03380	0.8
205.04971	1.2
206.08157	0.6
220.95757	0.6
222.07585	0.6
223.06087	1.8
241.07266	0.5
252.08720	0.7
395.26062	0.5
444.11166	1.1
444.16818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31174	0.4
53.75201	0.4
55.05513	1.0
57.03433	0.7
59.05008	4.5
59.70239	0.4
62.55114	0.3
69.82214	2.1
73.06555	0.7
91.05532	1.9
93.07063	2.3
95.04989	0.4
98.21442	0.8
103.05458	1.5
104.05003	0.7
120.08099	1.2
121.06518	13.0
122.06077	1.1
132.04469	1.0
150.05521	4.8
164.07082	65.2
165.07498	0.4
250.10757	6.0
264.12326	100.0
265.12762	1.3
324.14587	0.6
370.16525	11.0
444.19949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01875	0.3
55.05513	1.9
56.96584	0.3
57.03428	0.8
59.05004	3.9
62.69037	0.3
67.05485	0.4
69.08017	0.3
70.69099	0.9
72.73973	0.2
73.06553	0.7
81.07079	0.3
83.04973	0.5
84.08138	0.4
85.25501	0.2
91.05477	1.7
93.07052	2.2
95.04977	0.7
95.08616	0.3
103.05479	1.6
106.06542	0.3
107.08499	0.3
109.10160	0.5
109.39545	0.2
110.06006	0.3
112.11257	0.4
120.08096	1.3
121.06513	12.7
122.06034	1.1
132.04448	1.0
134.06096	0.3
146.06076	0.4
150.05513	5.2
156.65143	0.3
164.07076	64.6
165.07495	0.3
165.09135	0.3
166.08569	0.5
173.13226	0.3
178.39484	0.3
250.08176	0.4
250.10759	6.3
264.12320	100.0
265.12753	1.4
266.13940	0.4
324.14316	0.5
364.73685	0.3
370.16501	11.4
371.16672	0.3
402.18964	0.6
428.05121	0.3
444.19867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05512	10.7
56.84498	0.2
57.07072	0.3
59.05011	1.1
67.05499	0.6
69.07060	0.6
69.90720	1.1
71.04980	0.3
73.06562	0.7
79.05483	0.4
81.07049	1.0
83.08620	1.6
91.05467	1.8
93.07059	1.9
95.04975	0.4
95.08625	0.6
99.08118	0.2
103.05489	1.0
104.04992	0.3
105.07032	0.3
107.08609	0.3
108.08907	0.2
109.10172	0.5
112.11237	0.3
118.06555	0.5
119.03583	0.2
119.07307	0.3
119.08559	0.5
120.08121	1.1
121.06506	9.0
121.10120	0.4
122.06025	0.3
125.38772	0.2
131.08554	0.3
132.04454	0.7
134.05991	0.2
137.05927	0.2
145.10135	0.2
146.06015	0.9
148.07494	0.3
150.05507	2.5
151.07533	0.4
159.11694	0.3
164.07066	33.1
165.07571	0.3
166.08636	1.2
178.08604	2.7
179.09406	2.2
180.10167	0.7
191.17950	0.3
194.47952	0.2
206.08054	0.3
224.09151	0.4
232.13388	0.4
238.10684	0.5
248.16362	0.3
250.14386	8.7
255.16695	0.2
264.15939	100.0
265.16516	2.6
280.19269	0.2
288.18597	0.2
292.15396	2.6
306.16974	0.5
324.18063	0.7
358.16275	0.9
366.29669	0.2
370.20120	11.3
402.22763	0.7
412.21185	1.3
427.49994	0.2
442.27853	0.2
444.23782	3.9
444.34744	0.4
445.29321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.05516	7.6
57.22589	0.7
69.07064	1.2
71.05006	5.9
71.56803	0.8
71.57178	0.8
73.87639	0.9
79.05479	1.6
81.07036	2.0
83.08631	1.6
88.26809	0.9
91.05474	6.8
93.07059	9.0
95.04966	1.5
95.08616	1.5
98.16826	0.7
99.08108	3.9
103.05458	6.1
105.04524	0.7
105.07004	0.9
106.06552	1.0
112.03994	0.8
118.06548	0.9
119.08576	1.5
121.06517	67.8
122.06844	0.9
134.06010	0.8
148.59991	0.7
150.05492	4.3
152.07080	4.5
164.07085	15.3
166.08669	3.2
171.13771	1.0
178.08618	1.9
179.09464	1.5
180.06534	1.7
196.65488	0.8
207.08928	1.8
221.10477	0.9
232.13333	1.6
250.14401	100.0
251.14648	1.2
264.15964	60.5
265.16144	0.8
274.14490	2.3
292.15451	40.3
306.17075	0.9
321.39648	0.8
324.18039	4.0
370.20145	57.0
371.20358	1.5
412.21274	10.6
444.23691	2.8
444.35663	1.0
445.29538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1116
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
56.96569	4.5
61.02927	2.4
65.07172	1.8
65.56574	2.1
69.03432	5.6
69.99816	7.0
70.00225	4.7
74.92167	2.1
80.85987	1.9
85.02912	15.6
97.02896	5.4
98.21389	3.9
98.97595	17.1
99.14122	2.3
109.02881	2.0
110.97569	6.5
115.32462	1.9
116.98678	2.4
127.03920	2.9
128.98657	3.5
136.52193	2.0
137.05991	3.2
178.82867	2.2
219.01759	11.6
237.02933	8.8
248.51212	2.3
284.47845	2.0
326.09109	2.2
358.04651	2.4
367.07190	6.2
385.08286	3.7
445.11105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58532	3.0
53.03910	2.7
56.96571	19.2
57.03429	3.7
61.02922	3.6
65.33536	2.8
69.03394	12.0
69.52554	11.9
69.52957	5.4
70.06583	6.8
70.80411	2.8
71.04978	3.5
73.02885	4.4
73.04774	16.0
81.03392	4.6
82.95502	2.3
84.04475	10.5
84.08121	8.5
84.96004	2.8
85.02911	24.1
86.06072	6.0
86.09680	6.8
91.05844	24.1
97.02876	9.0
97.96772	3.0
98.21408	5.5
98.97588	82.2
99.09864	3.2
101.07127	4.4
104.35181	2.8
109.02859	2.8
110.97535	15.2
112.99101	4.2
116.98626	33.6
119.04897	6.2
121.02823	5.6
127.03880	3.7
128.98553	10.2
131.00203	3.1
131.04884	4.0
134.99597	6.7
136.01663	2.9
137.05986	36.6
138.06311	3.6
143.00092	3.5
145.04906	3.5
146.99632	4.6
147.04420	19.2
149.05911	3.0
152.05640	3.4
158.99602	12.0
161.01196	6.0
161.02824	2.5
163.03970	14.2
165.05399	3.5
167.05508	12.3
167.07010	10.2
170.99524	3.9
171.03026	2.7
176.05272	2.9
177.00685	14.0
177.05388	5.8
179.06982	10.5
186.04263	3.1
189.00641	4.0
192.04585	3.9
201.05159	3.7
209.01111	3.7
209.07994	3.1
219.01794	20.1
223.04677	3.6
225.04230	8.5
227.02242	3.6
227.09175	3.3
237.02875	22.9
239.04227	3.9
242.00812	5.2
242.07198	3.5
243.05281	3.7
243.10837	3.9
256.02396	3.3
256.06671	3.0
257.07776	4.5
265.03857	16.1
265.06201	3.3
268.02499	3.9
271.05008	5.1
273.07159	2.8
281.03183	5.4
283.04736	17.8
283.07681	5.5
295.04932	4.8
299.04352	13.7
301.05731	9.8
307.04709	6.8
309.08466	4.5
325.05850	11.4
337.99979	3.4
341.05396	3.4
342.99435	5.3
343.06775	6.1
359.02890	22.6
367.06961	3.1
385.07632	3.6
429.08496	4.4
445.10934	100.0
445.20178	5.6
463.11023	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19960	0.4
56.79393	0.5
56.96559	1.0
57.03453	0.8
58.94207	0.4
59.04980	0.5
61.67151	0.4
69.03429	1.7
69.75708	1.7
70.06578	1.3
71.05006	2.2
72.08139	1.0
72.94618	0.4
73.04768	3.6
83.04971	0.8
83.08575	0.5
85.02492	0.5
85.02915	5.6
86.09715	0.8
91.05835	3.7
97.02893	1.9
98.97575	1.6
104.28794	0.4
107.04977	0.5
109.18520	0.4
116.98606	0.9
117.03351	0.5
119.04968	0.6
121.02847	1.6
121.06487	0.5
127.03962	0.9
129.05515	0.6
129.10214	0.5
135.51732	0.5
137.05992	1.6
145.02824	1.3
145.04970	0.8
149.04462	0.6
151.03745	1.1
151.07524	0.9
158.99709	0.7
163.03995	0.8
165.05507	0.4
167.05582	2.1
173.27023	0.5
177.00693	0.7
177.05464	2.2
185.04231	0.7
185.09676	0.5
187.04448	0.8
189.09157	1.3
195.02646	1.9
203.05270	0.6
207.02756	1.0
219.01762	0.7
225.04335	1.2
233.04276	0.6
237.02872	0.8
239.05309	2.9
247.13220	1.0
251.05301	1.4
251.56982	0.7
259.06451	0.9
265.06705	1.1
265.14365	1.3
273.09457	3.8
283.07910	11.2
283.15375	1.2
313.08890	2.2
317.08337	2.3
353.19882	0.5
355.06918	1.3
359.02881	3.3
373.08002	0.9
374.08444	0.6
385.05908	1.1
401.10651	0.5
417.13596	2.4
434.43228	0.5
445.13171	100.0
446.13602	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01871	6.2
56.96562	8.2
57.03434	10.7
61.02940	10.4
69.03432	31.2
69.20978	1.8
70.06587	5.5
71.01374	2.1
71.04990	5.7
71.48429	2.7
73.02930	11.0
73.04765	9.5
79.05505	2.8
81.03423	11.3
81.07066	12.3
83.04978	2.9
85.02911	100.0
86.03234	2.7
86.09708	2.4
87.04468	5.1
89.03929	5.1
91.03968	4.9
91.05791	12.8
93.07023	5.1
97.02905	31.1
98.97582	27.9
99.04462	6.0
101.00896	6.4
101.02364	2.0
102.96972	1.9
103.05470	2.0
106.75014	1.9
109.02882	9.1
109.06530	8.0
115.03970	2.7
116.98637	8.3
117.03385	5.7
119.01933	9.3
119.04996	3.9
121.06502	20.7
127.02446	3.2
127.03934	29.8
128.04280	2.0
128.98602	4.5
129.10272	2.0
131.01938	4.8
131.04959	3.0
133.03450	2.8
134.99675	4.1
135.04428	8.6
136.06207	6.7
137.05991	70.3
138.06320	3.2
143.00108	3.9
143.01923	12.1
144.02077	2.7
145.03450	5.9
145.04979	23.8
147.03236	2.2
147.04408	3.7
152.05698	5.6
153.04086	2.5
155.01898	6.8
157.01694	2.7
157.03479	5.5
158.99651	8.3
161.01491	1.9
161.02948	11.9
162.03165	2.0
163.03918	56.7
163.05243	3.9
164.04254	2.4
165.05583	2.6
165.69231	1.7
167.02019	2.6
167.05605	9.0
173.02991	11.3
175.04597	2.3
177.00705	6.3
179.02313	3.8
179.05598	2.0
183.05072	7.4
184.05829	4.5
184.07272	4.7
185.02954	9.4
187.04448	7.9
192.05533	5.7
197.02980	2.6
197.06654	3.2
201.06134	2.2
203.04057	9.2
204.09123	2.0
204.59358	3.2
205.05582	2.2
205.09077	2.5
207.05228	2.3
211.02715	2.4
211.04544	2.4
213.06084	3.0
214.09895	2.2
215.07741	3.3
215.11322	5.6
217.07408	2.6
219.01746	7.5
221.03134	4.0
221.05125	6.0
223.04626	3.3
223.06647	6.7
225.04243	6.9
225.06274	2.6
227.04126	2.7
227.11301	4.0
235.02968	2.2
237.02800	5.4
237.06085	4.0
239.04323	7.0
245.05112	24.0
245.12363	3.7
249.06119	3.0
253.03783	3.5
255.07280	4.0
257.05325	2.7
259.06537	3.9
260.08038	1.9
261.02881	1.9
263.06244	5.8
264.07727	6.6
264.94470	2.4
265.07742	10.0
267.07172	2.1
269.08203	2.3
273.08328	15.7
275.06180	3.2
281.05151	3.0
286.58395	2.1
287.10147	3.0
293.07278	2.6
295.07108	2.0
295.12518	2.7
305.07465	2.2
305.14594	4.0
306.14728	3.1
307.14246	2.0
311.05368	1.9
331.08633	2.7
336.02466	2.3
339.09406	4.3
340.09634	2.1
342.99887	2.6
349.09723	2.8
354.09747	2.1
355.07126	7.2
357.10355	13.7
358.10425	2.5
359.02875	14.2
359.10419	3.3
365.09464	5.5
373.07932	12.9
377.60483	2.3
409.17496	2.8
425.11487	3.6
445.12198	6.6
445.18942	3.5
460.75333	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.05510	0.3
67.96136	0.3
69.21368	0.3
69.21767	2.5
72.08159	100.0
84.30237	0.2
91.05501	1.1
93.07055	1.1
103.05460	1.3
118.06561	0.8
121.06515	8.8
144.04474	1.2
146.06004	3.1
162.05568	0.8
172.04025	0.5
176.07083	3.0
178.08638	10.9
190.05043	0.5
204.06555	3.0
210.11317	0.3
222.07628	14.3
236.09206	0.4
245.10378	0.3
273.46182	0.2
293.15195	0.6
301.11942	0.3
342.13641	0.6
374.16006	24.4
375.16495	0.4
383.16321	0.4
443.72223	0.3
445.16766	5.9
445.23538	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	445.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01873	5.5
55.05516	22.0
57.03446	11.6
57.07066	7.0
58.56147	1.8
61.02925	7.5
65.20215	1.9
67.05511	36.7
69.03435	100.0
69.07073	11.2
69.47815	10.1
69.48228	3.0
70.79774	1.7
71.04991	6.7
71.08607	2.8
72.08134	6.0
74.54714	1.7
79.05492	11.9
81.03410	8.3
81.07066	46.9
83.04993	35.4
83.08620	11.5
85.02913	23.6
85.06537	4.4
87.04475	12.8
91.05462	9.5
91.16396	1.7
93.07057	15.5
95.04969	3.4
95.08614	34.8
97.06506	2.9
97.10168	6.1
99.04472	21.0
103.03963	4.4
105.07047	6.6
107.08601	9.3
109.10170	19.2
111.04448	22.3
111.11716	2.4
119.08581	6.6
121.06531	5.3
121.10171	10.5
123.11740	9.2
129.05496	62.7
131.08531	3.8
133.10138	9.6
134.98167	4.4
135.11713	8.1
137.13257	3.1
145.64325	1.9
147.06540	28.3
147.11676	4.2
149.13225	3.2
151.14821	3.0
153.12718	1.9
157.10051	1.9
161.13264	5.0
163.14934	2.5
165.07625	24.3
175.14801	2.6
178.08646	2.3
179.17950	2.5
181.59869	1.9
185.54924	1.9
189.16403	3.2
245.22713	13.0
255.44859	1.8
263.23804	17.0
311.25879	3.8
409.29572	39.8
445.23547	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05514	9.9
57.07082	5.8
67.05504	4.9
69.06724	1.0
69.07073	15.8
69.76978	3.5
71.00358	0.7
71.08624	1.9
79.05500	1.8
79.47952	0.6
81.07069	6.5
83.04950	1.0
83.08620	10.0
85.10167	1.6
91.05462	1.4
93.07059	3.2
95.08615	6.3
97.10157	5.0
98.21393	1.2
104.08932	0.6
105.07024	1.7
107.08590	2.6
109.10159	5.6
111.11720	2.8
119.08572	3.2
121.10143	2.0
122.07275	1.0
123.08087	0.7
123.11710	1.5
125.13285	1.6
133.10147	1.4
135.08038	2.4
135.11710	1.3
137.09636	7.4
137.13249	1.4
139.07564	1.0
144.39330	0.7
145.10129	1.0
149.09625	8.2
149.13275	1.2
151.07600	1.0
159.11768	1.1
161.09607	0.9
163.11191	5.6
163.14880	0.8
165.09125	100.0
171.11734	1.7
173.09654	2.1
174.10468	0.8
175.07562	0.9
175.11162	2.7
177.09134	5.7
177.12785	0.7
179.10686	1.6
187.11221	1.8
189.09125	2.6
189.12730	1.8
191.10696	5.4
199.11072	0.7
201.12738	1.5
203.10652	5.2
203.14352	2.1
204.11420	0.8
205.12253	9.8
217.12285	0.8
219.13788	2.2
225.04434	0.9
231.13873	2.8
231.35172	0.7
245.15504	0.9
261.18527	0.7
275.19974	1.0
289.21515	0.8
331.26175	0.9
345.27899	2.4
359.03030	1.8
401.18036	0.7
409.34460	0.9
427.35806	13.9
445.20129	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
55.05513	28.7
57.07081	27.2
61.92756	3.0
67.05491	10.0
68.91266	3.0
69.07069	36.9
71.08627	20.0
71.57529	4.0
72.83833	2.9
79.05495	10.7
80.26780	2.9
81.07060	22.0
83.04987	5.8
83.08615	20.1
85.10171	12.2
87.75096	2.8
91.05470	9.4
93.07000	6.9
95.04932	3.6
95.08621	23.0
96.09027	3.0
97.10144	14.1
105.07021	12.3
107.08591	24.3
109.06533	14.7
109.10158	15.0
111.08065	7.7
111.11697	6.1
117.06997	6.2
119.08621	18.4
121.06496	8.4
121.10164	7.1
123.08069	10.3
123.11699	4.2
125.06047	3.4
125.13269	3.4
127.07563	4.3
129.06953	3.3
131.08565	6.3
133.10092	10.5
135.08058	100.0
135.11665	6.3
137.05943	8.4
137.09608	4.3
139.07535	12.1
145.10107	8.8
147.08110	4.8
147.11679	8.0
149.05962	11.5
149.09639	6.7
151.07518	11.3
153.09103	3.5
153.69885	3.1
156.09276	3.5
157.10077	5.3
159.11699	10.4
160.08832	5.2
161.09613	8.8
163.11163	6.9
165.09113	14.8
167.05727	3.5
167.07068	17.6
171.11717	6.7
172.08810	4.1
173.13245	9.2
174.10451	5.3
175.11200	18.0
177.09090	5.8
177.12712	6.2
181.08601	7.1
185.13271	3.9
187.11201	17.9
187.14716	5.0
189.12741	9.3
202.09758	4.1
203.10580	4.1
203.14323	5.2
205.12245	49.3
213.12856	3.0
217.12210	5.7
219.13896	3.3
221.11765	5.1
231.13794	6.5
299.27237	16.7
319.30362	3.2
399.36304	9.0
401.37830	9.5
409.34644	18.9
427.35715	73.9
445.36746	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate
Peak:m/z	Relative Intensity
53.03938	3.4
55.05260	2.4
55.05516	40.0
57.06828	2.6
57.07082	43.1
61.12086	1.3
61.88094	1.4
66.49577	1.4
67.01867	1.8
67.05510	11.9
69.07075	61.8
69.25843	1.5
71.08640	27.6
71.16583	2.6
74.86973	1.4
79.05487	9.9
81.07060	25.1
83.04984	17.4
83.08627	39.8
85.10188	14.0
91.05474	10.3
93.07052	20.4
95.04958	3.5
95.08607	24.6
97.06528	2.6
97.09612	2.6
97.10181	27.3
98.21089	2.1
99.08111	1.5
99.11741	1.7
105.07027	7.7
107.08603	17.5
109.06550	4.4
109.10159	12.8
110.40302	1.5
111.08085	2.6
111.11727	16.1
115.05482	2.1
117.07004	1.5
119.08564	9.5
121.06517	12.4
121.10141	5.5
123.08062	7.8
123.11713	5.0
125.06018	2.6
125.13281	5.7
129.06929	1.5
130.82391	1.5
131.08577	4.7
133.06418	2.0
133.10110	8.1
135.08061	20.2
135.11667	4.1
137.05962	9.9
137.09624	12.9
137.13281	2.5
139.07541	25.1
142.07730	2.1
143.08585	5.3
145.10085	4.5
147.08090	3.5
147.11658	5.3
149.06027	14.2
149.09647	22.2
149.13297	3.8
151.07574	9.0
153.09084	7.5
156.09381	6.0
157.10104	9.1
159.03024	1.5
159.08063	6.9
160.08911	3.4
161.09636	10.3
161.13190	3.6
163.07574	15.1
163.11191	7.5
165.09134	100.0
167.07054	29.0
170.10939	6.2
171.11708	23.2
173.09637	7.5
173.13283	2.5
174.10422	9.2
175.07550	5.3
175.11235	14.8
175.14861	3.7
177.09125	11.4
177.12820	2.6
179.10677	5.2
181.08592	16.5
183.42253	2.0
185.13257	15.0
187.07552	3.6
187.11342	3.4
188.08237	3.2
188.12003	1.7
189.09161	12.6
189.10649	1.7
189.11191	2.4
189.12746	19.4
190.09898	2.2
191.10706	13.1
193.12199	1.7
199.11160	2.7
201.09096	5.1
201.12865	2.5
202.09898	30.3
203.10684	24.7
203.12408	2.4
203.14333	10.2
205.12288	16.6
207.13760	1.6
213.12770	6.5
215.10873	2.1
216.11504	5.1
217.12332	10.6
219.13837	5.7
222.80399	1.5
227.14418	2.0
231.13799	22.0
237.14847	2.2
245.15416	6.3
255.17548	1.5
263.16470	1.6
277.18140	1.7
279.48206	1.5
319.29984	3.3
371.29459	2.4
381.35168	2.9
385.34506	5.1
399.36307	17.7
403.35666	4.3
409.34738	3.7
417.31824	1.8
417.37149	2.8
427.35730	49.5
427.55945	1.6
445.30685	2.4
445.36850	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	445.368
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
51.60132	0.8
55.05515	6.2
57.07077	2.0
67.05510	7.7
69.07072	12.5
69.45237	5.8
79.05492	5.7
81.07063	15.1
83.05000	1.2
83.08614	4.6
91.05468	7.3
93.07054	18.1
95.08612	26.0
97.06552	2.6
97.10178	6.3
99.08068	1.0
105.07033	11.7
107.08600	34.8
109.06555	1.1
109.10163	15.4
111.11725	1.7
117.07020	1.4
119.07792	1.4
119.08591	18.1
121.10150	24.4
121.11029	1.4
123.11713	5.0
125.09664	2.0
131.08574	3.9
133.10144	14.4
135.11696	20.6
137.13261	2.3
139.11197	6.0
143.08557	1.8
145.10124	9.5
147.11694	10.8
149.09608	0.9
149.13255	5.3
153.12747	5.3
157.10144	2.1
159.11687	15.2
161.13248	8.3
163.11267	1.6
163.14828	23.7
171.11742	2.2
173.13268	6.7
175.14796	4.3
177.12740	0.9
177.16412	3.1
179.14243	1.5
181.15889	18.5
183.11743	1.0
185.13271	3.2
187.14873	11.9
189.16376	3.4
191.14311	1.8
191.17978	4.9
197.13214	1.1
199.14838	2.5
201.16405	28.9
203.17964	24.4
213.16434	5.5
215.17993	4.7
217.19582	1.1
219.17467	33.2
221.18958	1.5
225.16399	2.6
227.17984	6.9
229.19487	4.7
237.18500	19.9
239.17961	1.2
241.19548	2.0
245.19167	1.2
247.20566	2.4
253.19569	2.3
255.21240	1.2
261.22430	0.9
265.21609	1.1
267.21265	2.3
281.22672	3.3
283.24313	3.3
295.04208	0.9
347.45233	0.9
349.28967	0.9
391.33557	13.1
409.34674	100.0
410.34866	2.0
427.35800	22.0
445.36798	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
54.70667	0.6
55.05513	8.1
57.07077	3.7
67.05504	3.8
69.07073	13.7
69.77370	1.1
69.77782	1.9
71.08621	1.6
79.05502	1.7
81.07065	5.2
83.08626	7.3
85.06583	0.5
85.10165	0.7
91.05486	1.1
93.07040	2.4
95.08611	5.4
97.10185	4.0
99.95667	0.4
105.07051	1.1
106.02007	0.5
107.08642	2.7
109.10166	4.6
110.44009	0.4
111.08096	0.6
111.11713	2.3
119.08594	2.3
121.10169	1.9
122.07287	0.9
123.08131	0.7
123.11707	1.8
125.13326	0.9
131.08569	1.9
133.10146	1.5
135.08086	1.9
135.11722	1.4
137.09630	7.3
137.13271	0.7
139.07547	1.2
143.08548	0.5
145.10098	0.7
147.11710	1.3
149.09625	7.5
151.07573	0.9
157.10176	0.5
159.11702	1.0
161.09657	0.7
161.13350	0.6
163.11208	9.7
165.09129	100.0
171.11589	0.6
173.09602	1.0
175.11189	2.8
176.08270	0.8
177.09111	5.4
177.12740	1.3
179.10696	1.5
187.11162	1.4
189.09135	2.0
189.12715	1.2
190.09953	0.7
191.10689	4.7
191.14063	0.7
191.18033	0.8
199.11198	3.5
201.12724	1.5
203.10739	3.6
203.14297	0.8
205.12274	6.7
217.12286	0.9
217.16197	0.5
219.13715	2.4
231.13864	0.9
233.15379	1.0
239.01627	0.6
245.15314	0.9
247.16936	0.9
262.62741	0.5
264.93488	0.5
275.20026	0.8
289.21432	0.6
345.27692	0.5
386.14893	0.7
387.15900	1.8
401.17664	1.5
402.18369	1.1
414.14575	0.8
415.15170	2.8
416.16364	0.6
417.20935	0.7
427.35458	4.1
429.16992	1.6
430.17813	2.8
445.20105	35.3
445.36877	8.6
446.20773	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate
Peak:m/z	Relative Intensity
55.05520	23.3
56.71094	3.9
56.83608	4.8
57.07077	33.6
67.05500	13.5
69.07073	46.0
69.31834	38.0
71.08630	27.8
72.61845	4.2
79.05495	7.4
81.07060	32.9
83.04985	8.3
83.08627	27.5
85.10194	7.6
91.05525	5.1
93.07040	20.0
95.04958	7.5
95.08610	26.9
97.10181	14.9
99.04427	5.1
105.07019	11.3
107.08595	15.3
109.06511	9.2
109.10149	13.2
111.11707	9.6
119.08628	10.1
121.06490	6.9
121.10153	7.0
123.08082	19.2
125.05980	7.6
125.13273	5.0
127.07561	18.3
133.10162	9.1
135.08104	11.3
137.05983	14.2
137.09680	5.6
139.07539	35.3
145.10143	5.6
147.11729	4.9
149.05951	5.8
149.09618	14.3
151.07539	9.9
153.09142	6.2
156.09267	6.5
161.09634	5.2
161.13295	7.3
163.07634	8.4
165.09128	46.5
167.07077	7.9
171.11679	16.1
174.10487	5.5
175.11179	13.6
177.09070	19.8
179.07048	18.3
181.08601	10.7
185.13269	8.9
189.12753	8.4
191.10783	6.4
202.09918	6.6
203.10663	9.5
203.14410	11.1
205.12323	12.9
217.12230	6.6
219.45547	4.5
228.91405	4.4
231.13817	14.4
245.15329	5.3
264.39749	4.1
295.17218	4.3
319.29962	14.0
347.33066	10.4
351.31033	4.7
399.36145	16.8
403.35651	5.8
409.34781	4.4
417.37576	7.8
427.35928	37.2
445.30603	6.9
445.36783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3682
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.05505	24.0
57.07056	9.7
67.05500	30.7
69.07076	37.2
71.04980	13.9
71.58848	8.2
74.73721	5.9
79.05495	24.5
81.07058	76.0
82.17841	5.6
83.08620	18.6
85.06522	9.5
87.04460	27.7
88.91312	5.2
91.05489	20.5
93.07047	68.3
95.04973	19.2
95.08612	100.0
97.06536	7.6
97.10165	9.4
99.04449	42.7
104.57837	5.4
105.07034	50.6
107.08590	82.2
109.06529	13.4
109.10160	73.1
117.07059	6.8
119.08598	74.5
121.06557	8.5
121.10151	65.6
123.08080	6.9
123.11729	30.4
127.07559	15.6
129.20172	5.9
131.08562	12.5
133.10155	43.8
135.11684	54.5
137.09628	16.4
137.13237	7.8
143.08559	7.7
145.10141	24.2
147.11676	42.2
149.13286	17.7
151.11273	10.2
155.10692	13.0
157.10133	8.6
157.61319	5.1
159.11749	30.2
161.13228	35.9
163.11194	7.3
163.14819	37.6
165.09125	68.7
165.12781	9.5
171.11659	9.1
173.13274	18.2
175.14807	16.7
177.16429	13.1
179.14235	7.2
185.13098	7.6
187.14845	20.6
189.16403	41.4
191.14285	7.6
191.17961	45.9
193.15884	7.5
197.13284	6.4
201.16409	20.0
203.17972	25.2
205.12247	7.5
207.17516	14.7
209.15396	6.1
213.16385	6.8
217.19453	9.2
219.17494	18.8
229.19568	11.2
237.18547	10.7
243.21219	5.8
246.01382	5.5
255.21233	6.8
259.24084	7.0
327.65543	5.8
355.29819	12.4
359.02866	6.1
373.31168	10.5
391.33685	8.4
409.34561	32.9
427.35757	84.7
445.36877	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01869	0.9
55.05513	6.4
57.07084	2.2
60.91518	0.8
65.19777	0.9
66.76705	0.9
67.05501	7.2
69.07066	11.8
70.71007	0.8
70.75578	1.9
71.05003	1.5
79.05493	6.0
81.07056	14.9
83.05014	0.9
83.08617	4.7
85.06554	1.4
91.05470	5.6
93.07040	19.4
95.08611	26.9
97.06538	2.9
97.10161	6.4
97.76800	0.8
101.06000	1.0
105.07027	11.6
107.08595	35.8
109.10167	18.3
111.08098	1.1
113.09682	0.9
117.06988	1.2
119.08582	18.2
121.10148	22.6
123.11699	5.8
125.09628	3.0
128.06209	0.8
131.08598	4.2
133.10127	14.6
135.11697	22.6
137.13274	1.9
139.11209	5.3
143.08566	2.3
144.09280	1.1
145.10121	9.8
147.11668	10.9
149.09618	1.3
149.13271	4.9
151.11156	1.0
153.12743	4.7
157.10147	2.0
159.11688	16.0
161.13245	8.9
163.11205	1.4
163.14822	24.1
171.11734	2.4
173.13266	6.4
175.14853	6.6
177.16386	3.5
181.15871	21.6
183.11736	2.0
185.13280	2.4
187.14809	11.8
189.16402	3.6
191.14253	1.5
191.17969	4.4
197.13332	1.9
199.14842	2.6
201.16382	31.5
203.17953	26.4
205.15941	1.0
209.15326	1.2
211.14841	1.5
213.16403	5.2
215.17943	4.0
219.17453	34.8
221.19212	1.2
225.16316	2.3
227.17917	8.1
229.19504	3.3
236.77960	0.9
237.16116	0.6
237.18497	19.5
237.20728	1.8
239.17921	1.1
241.19531	1.8
247.20642	2.7
253.19576	3.4
257.22690	1.4
267.21179	1.6
269.22656	1.3
271.20401	0.8
281.22644	3.0
283.24258	2.3
288.01868	0.9
323.81470	0.8
337.91187	0.8
387.32523	1.3
391.33600	11.8
409.34637	100.0
410.34869	1.7
427.35681	20.4
445.36819	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	445.3678
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
53.03939	1.9
54.39009	0.9
55.01865	2.4
55.05508	5.8
57.07081	11.2
60.82120	0.9
67.05499	3.7
69.07066	10.0
71.08640	9.3
71.56793	0.9
71.57195	1.1
79.05510	5.1
81.07065	11.7
83.04965	2.5
83.08624	8.2
85.10168	4.1
87.75201	1.0
91.05459	5.1
93.07059	6.4
95.04936	0.9
95.08602	5.6
97.06506	1.0
97.10171	5.8
105.07044	8.8
107.04971	1.2
107.08587	5.9
109.06530	14.7
109.10149	3.5
111.08067	1.3
111.11715	2.9
119.08575	1.6
121.06481	2.0
121.10105	1.9
123.08110	5.2
125.06000	24.0
133.06487	16.5
135.08081	5.5
137.05984	71.4
137.09581	2.3
139.07506	5.1
145.10126	1.4
147.08046	1.2
147.11684	1.1
149.06004	1.3
149.09615	2.8
151.07550	28.1
152.08311	1.1
154.63063	1.1
157.10074	1.0
161.05992	13.2
161.09665	2.3
163.07642	1.3
163.11130	1.5
165.09103	8.6
167.07011	2.0
171.11647	1.8
173.09615	1.4
175.11211	3.2
179.07042	82.3
181.08577	1.0
189.12817	1.5
191.10660	1.3
193.08673	2.5
202.09958	1.2
203.10637	2.2
203.14281	1.9
203.17995	1.1
205.12245	1.7
217.12317	1.8
221.11719	1.1
231.13803	1.4
235.13301	1.5
245.88118	0.8
263.16415	1.6
277.18207	1.1
327.90298	0.9
385.34628	2.7
393.80215	1.0
399.36258	6.1
403.35553	2.5
417.37198	10.3
427.35382	6.6
445.36807	100.0
446.36935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Swinhosterol B
Peak:m/z	Relative Intensity
53.03939	0.8
55.01860	2.0
55.05513	5.1
57.07083	8.6
62.48913	0.7
65.03944	0.8
67.05507	3.8
69.03418	1.1
69.07070	7.7
71.08635	6.1
79.05503	5.8
81.07063	10.0
83.04985	1.1
83.08616	4.2
85.10192	5.2
91.05479	6.1
93.07047	6.2
93.33508	0.6
95.04956	1.4
95.08611	4.7
97.05251	0.6
97.06542	1.2
97.10210	3.8
98.21646	1.2
103.05482	1.3
105.07040	9.1
107.04897	1.2
107.08600	5.3
109.06525	17.8
109.10149	1.7
111.04388	1.0
111.08051	2.1
111.11710	1.4
115.05473	1.0
117.07021	1.4
118.14902	0.8
119.04903	1.0
119.08559	1.4
121.06487	0.7
121.10148	0.9
123.08076	5.0
123.11639	1.2
125.05998	28.6
133.06503	16.2
133.10155	1.4
135.08015	7.9
135.11720	1.0
137.05984	85.2
137.13245	0.8
139.07539	2.0
143.08612	1.0
145.10107	0.8
149.09604	1.9
151.07558	28.5
151.11172	0.8
153.09134	1.5
159.11714	1.0
161.06007	16.1
161.09613	1.5
161.13275	1.2
165.09183	3.4
167.07077	2.8
175.11136	1.9
177.12750	1.0
178.08662	0.9
179.07043	94.9
179.10419	1.8
181.08607	1.2
189.12703	1.5
193.12274	1.2
203.14301	2.1
207.10165	1.3
207.13727	0.9
221.11838	1.0
287.23154	0.8
291.30624	0.8
319.22745	0.9
385.34680	1.3
399.36264	6.1
403.35757	3.0
409.35165	0.8
417.37390	12.1
427.35730	2.3
445.36810	100.0
446.37180	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	globosterol
Peak:m/z	Relative Intensity
53.03948	3.2
55.01875	5.9
55.05262	2.5
55.05514	37.0
56.98005	1.3
57.03444	1.9
57.07079	36.5
57.23167	1.2
67.05506	19.4
69.03434	2.2
69.07071	73.5
71.08635	25.9
79.05502	14.6
81.07060	56.4
82.53165	1.3
83.01347	1.8
83.05001	6.2
83.08622	46.8
85.10179	13.2
91.05479	11.0
93.07053	32.4
95.04964	2.7
95.08614	46.8
97.06526	6.9
97.10173	30.9
105.07047	8.9
107.08597	33.1
107.09293	2.5
109.06527	6.4
109.10164	26.1
111.08093	11.7
111.11727	19.3
113.09658	1.4
117.07016	2.1
119.08546	8.9
121.06517	6.5
121.10146	18.4
123.08093	7.5
123.11725	10.4
124.05228	3.8
125.06021	2.0
125.09637	3.5
125.13268	8.6
131.08589	4.1
133.10152	7.2
135.08102	2.2
135.11691	14.0
137.05988	7.6
137.09669	3.1
137.13272	4.9
137.30598	1.4
139.07549	92.0
139.14848	1.9
143.08612	1.7
145.10144	3.5
147.08014	2.1
147.11684	6.3
149.09656	5.1
149.13261	13.6
151.07558	10.7
151.14886	2.7
157.10081	2.5
159.11761	3.6
161.09660	2.6
161.13219	3.5
163.11232	1.8
163.14841	13.3
165.05498	11.4
165.09132	26.3
165.16386	1.8
167.07053	1.7
171.11722	3.4
173.09662	2.1
173.13316	4.1
175.11209	4.9
175.14977	2.0
177.09135	6.9
177.12830	1.8
177.16472	4.4
179.07082	3.3
179.10728	1.9
179.17975	1.6
181.08554	1.9
185.13310	1.6
187.14859	1.7
189.09074	1.8
189.12740	5.1
191.10687	2.2
191.17952	3.0
193.08594	20.4
195.10294	1.9
203.10718	5.3
203.14371	2.1
205.12404	1.7
205.19533	2.3
216.11600	1.9
217.12265	4.8
217.15814	1.5
219.13882	3.8
219.21097	1.9
221.11777	4.8
231.13892	5.2
233.15463	2.0
233.22777	3.7
235.13318	4.3
245.15529	1.5
249.14853	1.8
288.85919	1.3
289.28928	23.6
305.21243	2.6
307.29953	32.0
319.22791	1.9
333.24496	1.5
375.29568	1.8
399.36349	3.8
409.34821	3.1
417.37473	3.0
427.35645	14.1
445.20251	7.5
445.36899	100.0
446.37000	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13927	0.6
53.21727	0.6
69.47154	4.0
69.47574	1.6
82.09744	0.7
85.99136	0.7
86.06078	1.8
87.04472	47.1
89.75285	0.6
91.05482	5.7
93.07060	1.7
103.05474	1.0
104.05019	1.1
108.08141	0.6
119.04934	2.9
120.08098	1.3
121.06505	10.7
132.04483	1.4
137.05991	6.0
150.05513	5.3
152.07031	1.5
155.16524	0.7
155.17929	0.7
164.07076	63.9
165.07726	1.0
166.05026	1.0
169.07544	0.7
178.08643	1.1
179.09274	0.6
180.06567	18.9
196.09737	0.7
208.09666	0.9
210.07603	5.9
222.07666	0.9
222.11185	0.7
224.09192	64.0
225.09578	0.9
236.09157	4.4
247.32158	0.6
250.10762	100.0
251.11232	2.3
252.08664	2.9
266.10251	62.6
286.10669	0.7
310.12900	0.7
343.22748	0.7
372.14407	19.5
404.17148	1.0
446.18069	5.8
460.84827	0.7
465.72769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32380	0.3
60.93505	0.3
67.44791	0.3
70.71973	0.8
70.72347	0.7
77.03951	0.4
87.04438	0.5
91.05460	1.8
93.07033	2.0
103.05457	1.3
107.07315	0.8
108.08174	0.4
119.58490	0.4
120.04455	1.1
121.06508	14.9
123.44843	0.4
136.07639	0.4
140.33296	0.3
142.84485	0.3
148.03925	1.3
151.06281	0.7
152.07065	2.8
164.07036	1.3
166.04984	1.6
178.08510	0.6
180.06566	29.4
181.06853	0.4
196.09598	0.5
196.26381	0.3
206.08176	0.8
208.09685	2.2
210.07614	7.4
220.09692	0.6
222.11288	0.7
224.09180	100.0
225.09514	1.1
238.10750	1.1
248.09135	0.4
252.08644	4.2
266.10242	99.8
267.10648	2.0
330.13242	1.4
372.14474	11.8
439.86389	0.4
446.18396	1.8
459.88470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72462	0.6
53.03937	2.1
63.58290	0.7
69.50259	4.9
70.06596	0.8
71.56172	0.8
77.03918	0.7
87.04476	29.9
91.05492	7.9
93.07049	12.3
95.04970	2.2
97.02892	1.3
97.34055	0.6
98.20811	1.2
103.05474	10.1
103.26762	0.7
105.04549	1.2
107.07335	1.0
120.04494	1.5
121.02869	1.8
121.06514	100.0
133.50269	0.7
138.05481	5.7
138.89040	0.7
148.03963	2.3
149.02342	0.9
151.06296	1.7
152.07074	4.2
156.06535	1.3
159.71844	0.6
160.07561	1.2
166.04930	5.6
180.06570	41.6
188.07108	10.8
188.08971	1.1
190.08653	0.9
216.06581	3.0
224.09193	8.7
234.07607	0.8
250.10764	1.1
252.08693	27.9
252.11343	1.4
265.13998	0.7
266.10254	85.0
267.10645	1.5
294.09753	30.7
308.11050	1.4
326.12399	2.3
372.14420	15.3
404.16818	0.8
414.15540	6.7
434.85059	0.7
446.17679	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17225	0.6
53.03919	0.9
62.63231	0.6
70.83975	1.2
70.84314	0.7
80.33499	0.7
85.25301	0.6
87.04475	17.3
87.23640	0.6
91.05486	4.8
93.07047	4.5
93.62388	0.5
95.04972	0.8
101.85143	0.6
103.05474	4.1
105.04532	0.8
107.07337	0.8
118.06569	0.9
119.04052	0.7
121.06515	32.1
137.06055	0.6
144.04457	1.2
146.06006	2.7
148.03929	1.8
151.06310	0.9
151.19795	0.6
152.07062	1.9
154.05009	3.4
162.05493	1.6
164.07079	4.7
166.05037	1.5
172.03951	0.9
175.84883	0.6
176.07065	1.5
178.08653	9.8
180.06572	28.5
190.04997	1.3
196.09685	2.2
204.06564	1.8
206.08089	0.9
208.09718	2.3
210.07646	8.2
222.07690	4.3
222.11194	1.0
224.09189	96.5
238.10855	1.1
240.08672	5.5
248.09401	1.1
250.10716	4.7
252.08611	3.5
262.10709	0.9
264.12442	1.4
266.10254	100.0
267.10620	1.4
276.08588	0.7
290.10260	1.2
308.11270	10.6
326.12311	1.1
330.13394	1.9
372.14423	12.6
404.16632	0.7
446.18158	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
60.93534	0.4
69.61584	2.0
72.61250	0.3
88.73766	0.3
91.05487	1.9
92.04990	0.3
93.07040	2.0
95.04975	0.6
98.21535	0.6
103.05465	1.5
107.07358	0.4
108.61638	0.3
120.04458	1.0
121.06514	13.5
146.06052	0.5
148.03986	1.5
151.06287	1.2
152.07065	2.5
164.07063	0.8
166.05055	2.2
178.08604	0.6
180.06569	31.9
192.06554	0.4
196.09692	0.5
206.08090	1.2
208.09814	2.0
210.07631	7.5
220.09610	0.4
221.64774	0.3
222.11264	1.0
224.09189	100.0
225.09547	0.7
238.10704	1.0
243.99139	0.3
252.08675	4.3
266.10248	99.3
267.10510	0.9
325.25766	0.4
330.13406	1.2
372.14441	12.0
386.15903	0.6
446.18152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
61.63842	0.6
69.03416	0.7
71.30041	0.8
71.30383	1.2
77.03900	0.8
87.04471	34.0
91.05486	8.8
93.07050	11.7
95.04981	1.6
97.02900	1.7
103.05470	7.6
105.43750	0.7
108.08124	0.7
120.04475	1.3
121.06511	100.0
122.06018	0.8
122.06828	0.8
138.05515	5.0
148.03941	2.0
150.05507	1.3
151.06271	1.9
152.07065	3.6
154.48582	0.6
160.07668	0.9
164.07083	8.3
165.09125	0.6
166.05014	4.5
178.08699	0.7
180.06558	30.3
188.07097	9.3
188.08997	1.3
204.06541	2.6
216.06586	4.8
222.07593	4.3
224.09229	2.8
228.88942	0.7
234.07686	0.8
236.09267	1.2
250.10750	9.9
252.08716	28.8
266.10251	80.5
267.10477	1.4
276.08908	0.9
277.14026	0.8
294.09723	25.5
308.11343	1.5
326.12323	1.7
372.14383	17.3
414.15491	6.7
446.18015	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	446.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
53.15701	0.6
69.40006	2.2
69.40429	3.1
77.03915	1.0
77.24518	0.6
79.05515	0.6
84.04459	0.6
85.37626	0.6
89.88485	0.7
91.05483	8.2
93.07052	11.8
94.06604	0.6
95.04952	2.2
103.05482	7.1
105.04530	1.4
108.85523	0.7
118.06554	1.7
121.06515	100.0
122.06045	1.5
122.06863	1.0
132.08093	0.9
134.06065	0.9
138.05521	1.9
146.06013	1.1
150.05516	1.1
156.06467	1.2
162.05531	1.3
162.09171	1.0
163.41267	0.6
164.07085	2.0
166.05028	0.9
177.07880	0.8
178.08574	1.6
180.06560	1.1
184.06030	1.3
190.04988	2.7
190.08601	0.8
204.06546	8.1
204.10242	0.9
206.08192	3.6
208.06064	7.3
208.09673	1.3
222.07640	16.0
224.09154	2.8
234.75641	0.8
250.07167	1.1
252.08685	69.7
266.10254	31.5
274.44977	0.7
294.09723	25.4
372.14444	46.2
414.15656	4.2
416.03241	0.7
446.18176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
55.01859	0.5
70.93595	1.3
78.63940	0.5
87.04480	27.0
91.05486	7.4
93.07056	9.4
95.04979	1.7
100.87903	0.5
103.05477	6.4
105.04538	1.0
117.05762	1.2
118.06575	2.4
121.06516	47.0
144.03398	0.5
144.04440	2.6
146.06032	8.7
160.13646	0.5
161.04636	0.5
162.05510	4.0
164.07164	0.7
172.04007	1.7
176.07104	5.2
178.08652	29.4
190.05037	2.2
196.09697	4.3
204.06532	3.8
222.07657	8.6
246.45218	0.5
262.10782	2.9
264.12369	5.9
276.08606	1.2
282.13385	1.7
290.10294	3.9
294.09924	0.8
304.21384	0.5
308.11307	33.0
326.12326	1.9
360.14645	1.4
383.00638	0.5
425.21259	0.5
428.16965	1.8
446.18155	100.0
447.18546	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	446.1815
Annotation	FUMIQUINAZOLINE A
Peak:m/z	Relative Intensity
50.01586	0.2
51.02379	0.4
53.03951	2.7
53.17789	0.2
55.01868	0.9
65.03954	0.4
69.33427	1.9
69.60047	0.2
71.04975	0.2
73.02919	2.8
77.03933	0.7
79.05524	0.2
87.04459	2.1
87.04903	0.2
87.61004	0.2
91.05489	10.1
93.07050	13.7
95.04977	3.2
98.20779	0.4
103.05476	11.3
105.04533	1.6
116.05018	0.5
117.05775	0.5
118.06544	2.2
120.04514	0.3
121.06516	52.4
122.06867	0.5
130.06529	3.3
131.90736	0.2
132.04475	1.2
132.08035	0.2
134.09669	0.9
136.07591	0.3
144.04448	0.9
144.08066	0.6
146.06023	9.2
148.03951	0.7
149.02361	0.7
160.03917	0.3
162.05534	1.6
164.07088	0.6
172.03981	0.7
174.05482	0.8
176.07152	1.0
178.08649	11.2
188.07068	2.8
189.07855	0.6
190.04991	1.1
190.08636	3.8
192.06654	1.0
194.08325	0.3
196.09668	0.3
198.05470	0.5
204.06567	1.2
216.06583	6.7
217.06920	0.3
218.08150	10.6
220.09718	0.3
222.07617	1.0
222.11293	0.2
224.09158	0.4
234.07625	7.7
236.09332	0.5
236.23421	0.2
244.06097	3.7
248.09201	17.7
249.09633	0.3
250.10770	63.6
251.11162	0.9
252.08577	0.5
262.07144	4.0
264.12384	0.7
266.10239	1.0
276.08691	10.7
282.13394	3.0
294.09732	57.9
295.10089	0.9
308.11273	5.4
326.12247	1.2
394.22406	0.2
414.15359	2.8
446.18130	100.0
447.18463	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	446.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
62.43171	0.4
77.03911	0.6
91.04967	0.7
91.05482	7.6
93.07054	10.3
95.04977	2.1
98.21532	0.8
103.05476	8.3
104.35584	0.4
105.04554	0.8
117.05755	1.2
118.06560	2.3
121.06518	42.0
121.65836	0.4
121.75253	0.4
122.06873	0.6
144.04422	1.0
144.08083	1.4
146.06020	7.3
162.05508	1.1
170.06018	0.5
174.88651	0.4
175.06273	0.5
178.08646	11.7
188.07056	2.3
190.05028	0.9
190.08647	1.7
192.06557	0.7
205.10912	0.7
216.06618	5.4
218.08151	6.1
234.07635	6.3
236.09137	0.6
244.06052	3.1
248.09215	17.1
250.10771	58.7
251.10982	0.8
252.08644	0.5
262.07117	3.3
276.08694	11.0
282.13373	2.3
294.09738	68.0
295.10052	1.6
308.11285	2.3
326.12347	1.0
414.15372	2.8
446.18143	100.0
447.18649	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	446.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
66.17875	0.4
68.99791	0.4
76.66587	0.4
91.05499	2.2
92.04973	0.4
93.07043	2.1
95.04935	0.6
96.11136	0.4
103.05473	2.7
105.04503	0.4
107.07347	1.1
108.08151	0.5
111.53879	0.4
120.04483	1.1
121.06512	13.5
122.56517	0.4
137.06004	3.1
146.05988	0.4
148.03929	1.8
151.06287	1.1
152.07033	2.2
164.07086	1.1
165.05475	3.6
166.05019	1.4
167.06985	0.8
178.08606	0.5
180.06563	29.6
181.04976	1.4
181.06859	0.4
196.09627	0.7
206.08089	0.8
208.09668	2.0
210.07610	7.9
214.62370	0.4
222.11086	0.8
223.06029	0.6
224.09183	96.6
225.09482	0.8
238.10776	1.1
240.67920	0.4
252.08690	4.5
266.10242	100.0
267.10626	1.0
330.13306	0.7
372.14453	12.3
386.15817	0.6
404.17099	0.6
428.24826	0.4
446.17831	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	446.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03947	2.2
64.73016	0.4
64.73392	0.5
65.03931	0.4
69.58734	1.2
69.59162	1.8
72.08162	0.6
81.07058	0.7
86.79630	0.5
87.04456	1.6
91.05480	7.7
93.07052	10.6
95.04971	2.3
98.21479	0.7
101.77221	0.4
103.05471	8.8
105.04516	1.2
113.60454	0.4
118.06522	0.5
119.08646	0.6
121.06511	100.0
122.06847	0.8
137.06009	0.5
146.06046	0.7
148.03947	1.3
152.07129	1.0
162.05507	0.6
163.04070	0.5
164.07085	1.8
165.09102	0.5
166.04987	4.6
178.08646	0.7
180.06563	9.8
180.08064	0.8
192.06566	3.6
206.08144	12.9
208.09727	0.7
210.07622	32.9
220.09668	1.0
222.07626	0.9
224.09184	39.2
234.07742	0.7
250.10773	1.2
252.08693	25.4
266.10245	39.9
281.63425	0.5
294.09738	12.7
304.91824	0.5
312.12180	1.0
326.12219	0.8
330.13220	2.2
372.14450	27.9
373.14642	0.6
414.15482	1.7
446.18085	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	447.1267
Annotation	Cytisoside
Peak:m/z	Relative Intensity
51.11282	0.9
56.96562	5.3
57.03438	1.8
67.13268	0.9
69.03432	2.2
70.15440	2.0
71.04982	3.5
81.03417	1.4
85.02906	9.9
85.70773	0.8
97.02890	2.1
98.97583	6.3
114.20084	0.9
116.98622	1.9
127.03923	1.4
128.98582	1.1
129.05458	1.4
137.05997	2.4
145.04956	1.3
147.06436	0.8
163.00638	1.9
167.06966	1.3
181.01659	2.2
192.38084	0.9
199.02824	2.7
205.01852	0.9
213.04346	2.6
219.02150	1.2
223.02745	2.6
225.06158	1.0
238.54138	1.0
241.03993	1.4
253.03835	1.3
255.05409	5.2
267.05200	1.1
273.06442	6.8
281.08588	1.4
285.06509	6.0
297.06424	11.3
303.07550	2.7
311.09695	2.6
315.07449	4.2
327.07559	7.3
355.87997	0.9
417.10645	3.4
431.13977	1.5
446.42249	1.0
447.12631	100.0
448.12936	1.4
470.70392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1271
Annotation	Cytisoside
Peak:m/z	Relative Intensity
61.02920	1.5
69.03437	3.2
69.73507	5.0
71.04988	1.8
77.06836	1.1
77.65612	1.1
85.02901	6.2
97.02888	2.3
98.97569	2.5
101.00877	1.8
119.01931	1.9
127.03947	1.4
137.05986	2.1
152.57851	1.0
156.73074	1.0
157.03461	1.2
163.03951	1.9
205.05550	1.3
223.06732	2.6
265.07397	1.3
284.29691	1.1
356.10919	1.4
385.11267	1.2
387.13525	1.8
447.12698	100.0
448.13165	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01867	0.6
61.80916	0.5
65.03931	1.3
67.05492	1.8
68.99795	4.7
69.07068	0.7
70.34074	2.0
72.08167	0.5
79.05502	4.2
81.03431	1.3
81.07065	3.5
88.20658	0.5
91.05473	3.7
91.90826	0.5
93.03413	1.3
94.04195	1.1
95.04980	1.7
96.96658	0.5
97.06550	0.6
98.21409	0.7
107.04955	2.5
109.06522	2.3
117.03315	0.5
119.04945	1.1
121.02874	5.4
121.06470	2.5
122.03654	3.5
123.50532	0.5
135.04420	0.9
137.05983	51.3
145.02817	0.8
145.10162	0.7
147.04451	0.6
149.02345	5.7
152.04730	1.3
153.05467	1.9
157.06407	0.7
163.03891	2.2
165.05481	100.0
166.05986	0.8
167.03389	4.1
167.07051	10.2
177.05556	1.1
179.03383	0.7
180.06578	2.3
181.04973	22.8
181.06747	1.6
184.51453	0.6
191.03395	3.9
193.05049	1.3
193.70808	0.5
195.06522	0.6
209.04451	4.1
211.07889	0.6
221.04482	1.1
223.06033	17.5
224.09184	7.8
225.09511	5.3
253.08888	0.6
266.10178	4.2
267.10596	6.6
299.09009	0.7
331.08093	1.2
359.11359	1.0
373.09149	1.9
373.14520	1.4
410.87732	0.6
447.13031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.0
59.65290	0.3
69.03414	0.8
69.64651	1.4
69.65066	0.5
70.61738	0.3
70.98127	0.4
71.05022	0.5
72.08163	0.4
73.04759	0.7
78.39137	0.3
83.04963	0.3
84.96047	0.3
85.02910	2.0
91.05851	0.5
97.02890	0.6
98.97616	1.3
103.05446	0.5
105.06990	0.3
116.98657	0.5
131.04958	0.5
136.12770	0.3
137.05991	0.9
139.03860	0.5
154.31805	0.3
158.99742	0.4
163.03920	0.6
181.01781	0.5
199.02866	0.5
205.06926	0.8
213.04414	0.6
213.07574	0.3
219.01767	0.5
223.02863	0.7
237.02840	0.6
241.03885	0.4
255.05457	0.6
258.35406	0.3
265.07474	0.3
273.06451	0.7
285.06992	0.7
297.06558	1.3
303.07559	0.6
315.07132	0.2
315.10437	5.6
317.08563	1.2
327.07642	0.9
333.10529	0.3
355.07275	0.3
383.52695	0.3
384.95279	0.4
419.10065	0.3
447.14786	100.0
448.15201	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1629
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
52.11090	0.5
65.03947	0.5
69.03424	0.6
69.60184	3.2
79.05487	0.9
81.07051	1.2
91.05493	2.1
93.07048	2.0
94.99937	0.5
95.04977	0.8
98.06420	0.6
105.07040	1.2
107.04964	0.9
108.34055	0.6
112.76987	0.6
119.08580	0.7
121.06512	8.3
122.06844	1.1
133.10109	0.7
137.05914	0.9
143.04688	1.1
145.10126	1.3
149.02328	0.6
157.10112	0.7
159.08020	1.1
159.11800	1.1
163.03854	1.0
164.07248	0.8
180.06497	0.9
181.30840	0.6
187.11169	1.4
204.06628	0.7
205.06982	0.7
222.07652	1.1
223.07840	0.8
224.09229	1.3
225.09406	1.0
237.07660	0.9
253.08957	0.6
266.10242	2.4
267.08243	0.6
267.10632	2.8
273.02957	0.7
288.86795	0.6
295.07858	1.7
355.11359	1.3
373.14874	1.1
383.11078	4.1
383.19833	0.6
387.14175	18.0
415.13672	52.7
416.13727	0.9
429.20682	0.6
447.16284	100.0
448.16608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1653
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
56.78555	0.6
65.03947	0.7
69.03429	3.5
70.06568	0.9
71.05001	1.0
71.16811	1.3
78.34652	0.6
79.05453	1.0
81.03406	1.5
85.02923	1.8
91.05482	7.9
93.07056	0.6
97.02882	5.3
107.04916	0.9
116.81289	0.6
119.04954	19.2
121.06499	2.8
122.06828	0.8
127.03912	1.4
132.58215	0.6
137.05969	5.9
145.02788	1.0
145.06470	0.9
147.04417	100.0
149.02415	0.8
151.03896	0.6
151.07500	0.7
163.07530	0.8
165.05484	11.9
167.07076	1.6
168.97014	0.7
177.05478	3.0
180.06651	0.9
181.04965	2.2
197.18254	0.6
223.05956	1.9
228.64832	0.7
258.66119	0.6
266.10217	1.8
267.10611	1.8
285.07736	1.1
291.08649	1.4
309.09711	8.4
390.79459	0.7
421.47867	0.6
447.21988	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
65.03943	1.2
67.05471	0.5
67.63691	0.5
69.03431	2.8
69.48035	2.3
69.48440	1.4
79.05479	0.8
81.03428	1.6
81.07046	1.0
85.02905	2.1
91.05486	7.3
97.02888	4.5
103.05444	0.7
117.07062	1.0
119.04102	1.2
119.04951	20.1
121.06543	2.6
127.03868	0.9
135.08000	0.5
137.06012	4.9
145.02838	1.9
145.06442	0.6
147.04419	100.0
149.02315	0.6
163.07549	0.8
165.05495	8.3
167.07129	0.8
175.07533	0.6
177.05486	2.7
180.06546	0.9
181.05003	1.4
207.42386	0.5
223.05997	0.6
229.08467	0.6
263.08850	0.6
266.10364	1.1
267.10651	1.4
285.07706	1.4
291.08621	1.4
309.09738	9.8
447.17126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62459	0.3
52.89479	0.3
53.36551	0.3
62.70308	0.3
65.03951	0.4
65.16137	0.3
67.05507	1.8
69.37042	2.3
70.06566	0.5
85.02916	0.7
86.09687	0.6
88.38892	0.3
91.05489	1.2
94.06576	5.9
95.04959	0.5
96.04479	0.4
98.21072	1.2
101.94578	0.3
106.06558	1.9
122.06021	5.4
136.07584	2.1
150.05511	100.0
151.03806	0.3
151.05865	0.6
167.08208	0.6
168.06577	1.0
172.01820	0.3
267.16061	0.3
285.12354	20.5
286.12628	0.3
380.91205	0.3
447.17722	1.6
448.30273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01883	1.3
55.05517	2.3
57.03438	9.4
57.06126	1.0
61.02928	3.3
69.03432	7.4
69.60666	4.9
70.06599	1.3
71.01378	1.4
71.04997	34.2
72.08159	4.9
73.02924	3.8
75.04488	9.2
81.03425	2.2
83.04988	7.3
84.08138	1.1
85.02911	100.0
86.06066	1.1
86.09716	4.5
87.04483	2.5
89.03928	1.0
91.05482	2.5
93.07085	1.6
94.43671	0.8
95.04966	1.1
97.02895	9.3
98.97614	2.2
99.04483	2.4
103.05485	1.3
109.02869	1.5
111.04416	5.2
115.03933	1.3
117.03409	1.2
117.07030	2.6
121.06535	9.4
127.03922	6.7
129.05489	34.0
129.06984	1.9
131.08626	1.7
133.06503	1.4
135.04445	1.9
135.08051	1.7
137.05997	3.8
141.06999	2.1
145.02892	3.3
145.05049	5.9
145.06485	7.1
145.45729	1.0
147.04645	1.2
147.06538	21.8
151.07571	2.6
157.06531	1.3
159.08080	5.6
163.03912	12.1
163.06125	1.5
163.07584	5.3
165.07574	1.9
169.06509	1.4
175.07567	4.7
177.09204	1.0
179.07086	1.5
183.08006	1.3
187.07562	16.5
189.09152	1.2
195.06752	0.9
201.09004	1.9
201.12299	1.3
205.08617	12.1
207.37923	1.0
213.09372	1.3
229.08621	2.7
231.10213	2.9
247.09679	3.9
247.13136	1.1
249.11226	1.9
255.08624	2.2
265.10635	2.4
267.12283	2.4
309.11740	2.3
447.18130	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	447.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	11.0
69.03437	9.1
69.03745	1.6
71.01344	1.4
71.04994	30.8
71.32207	2.1
72.08144	1.7
73.02908	4.5
73.04781	1.5
75.04492	10.0
80.69189	1.7
81.03426	3.4
82.12249	1.3
83.05004	6.7
85.02909	100.0
86.03235	1.4
86.09708	1.5
87.04456	3.2
95.05000	1.6
97.02894	9.1
97.45012	1.4
99.04449	1.8
103.03941	1.7
106.32734	1.5
108.04532	1.2
109.02865	1.3
111.04422	4.1
115.66595	1.3
117.06962	2.1
121.06511	13.3
127.03961	8.6
129.05493	33.1
131.08527	1.7
133.06509	1.7
133.48904	1.3
135.08040	2.6
141.06978	2.8
141.89038	1.4
145.04945	4.4
145.06497	8.9
147.06531	22.7
149.02338	1.5
151.07530	2.8
157.06561	1.8
159.08052	5.7
163.06143	1.8
163.07539	5.8
165.07613	1.6
169.06572	2.0
171.07999	1.9
175.07495	3.6
179.07066	2.5
187.07550	20.0
203.10545	1.4
205.08636	15.9
217.08635	1.8
229.08609	4.7
231.10141	3.2
247.09706	4.2
265.10831	2.2
267.12238	2.3
273.09329	1.1
275.80490	1.3
346.01337	1.3
447.14514	7.1
448.19449	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09626	1.7
57.03443	9.6
61.02937	1.8
61.27123	1.8
69.03419	9.2
69.75489	9.6
70.06582	2.6
71.01342	2.0
71.04996	31.2
72.08147	2.4
73.02916	4.2
73.04720	3.1
75.04485	9.3
81.03390	4.2
81.07076	2.9
83.04968	6.2
85.02908	100.0
86.09708	2.2
87.04464	4.8
91.05838	3.0
93.07062	2.5
95.04951	4.3
97.02899	11.1
98.20778	2.3
98.21334	4.3
103.05460	2.4
109.02882	2.1
111.04439	5.9
117.06997	3.7
121.06518	17.7
127.03933	9.0
129.05489	35.0
129.07001	2.1
131.08545	3.6
143.75888	1.9
145.04939	5.6
145.06494	8.0
147.04404	1.8
147.06546	23.4
151.07535	3.1
159.08014	7.1
163.03926	1.9
163.07594	5.1
167.05438	1.7
169.05135	2.9
169.06544	2.2
175.07680	3.6
179.07054	2.3
183.28374	1.9
185.05859	2.2
187.07571	18.4
201.09103	1.8
205.08586	11.9
225.04193	2.3
229.08583	3.5
231.10143	3.4
245.70691	2.2
247.09660	4.3
255.08765	3.1
259.11893	3.9
309.11713	2.0
361.02847	2.8
401.14230	2.0
447.14069	19.6
448.19406	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	447.3835
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.01869	1.2
55.05515	8.9
57.07085	5.9
67.05486	1.8
68.06083	0.7
69.07063	4.3
70.91526	1.6
71.08641	3.8
71.49775	0.6
79.05494	1.3
81.07059	2.9
83.04986	23.5
83.08611	2.5
85.10178	2.7
91.05467	2.8
93.07050	7.6
93.71148	0.7
95.04978	0.9
95.08598	2.4
97.06521	1.3
97.10148	1.9
99.08102	1.9
99.64931	0.7
105.07082	0.7
107.08617	3.3
109.06520	1.8
109.10164	1.8
111.08099	3.0
111.11757	1.1
121.06513	15.6
121.10132	1.5
123.04427	2.0
123.08065	2.6
127.07558	5.8
133.10152	0.9
135.08060	6.3
137.05978	1.5
137.09634	3.7
139.07549	39.2
145.10170	0.8
149.09624	2.3
151.07529	1.4
153.09094	3.9
163.07542	8.3
165.09181	2.2
167.10686	0.7
169.08597	1.4
177.09102	1.2
177.12776	1.4
180.07661	1.5
181.08649	9.4
191.10619	0.7
195.10008	0.8
195.13823	1.4
211.96432	0.6
223.13405	1.1
237.14966	1.2
251.16499	1.6
265.17908	0.9
293.21088	0.7
307.22720	1.1
321.24097	0.9
357.86154	0.6
429.37280	2.2
447.38358	100.0
448.38745	1.9
470.05185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03959	2.5
54.52690	0.4
70.06589	1.0
71.57239	0.7
72.08141	1.7
73.08481	0.5
75.49967	0.4
81.03442	0.6
84.08152	0.8
85.02908	1.1
86.09738	0.7
87.04455	0.9
89.06007	0.8
91.05488	9.5
93.07055	14.2
95.04977	2.3
97.02870	1.1
99.26924	0.5
103.05473	9.8
105.04504	1.5
109.02872	0.5
114.05524	0.7
116.04889	0.5
118.06533	1.5
121.06516	54.9
122.06858	0.9
134.06010	1.3
135.06523	0.6
136.07649	0.5
138.05493	0.7
144.04449	0.6
150.05540	1.0
152.07086	1.4
159.15349	0.5
160.03938	1.3
162.05533	6.0
162.09164	2.1
168.11090	0.6
178.04985	5.1
180.06563	13.7
182.08043	0.7
196.06090	1.3
204.06641	0.9
206.04440	1.6
206.08136	6.0
208.06131	1.3
210.07558	0.9
211.08424	1.0
220.09715	0.9
222.07617	19.6
222.11081	0.8
224.09196	28.5
225.09589	0.5
225.45233	0.6
233.01707	0.5
236.09198	0.8
238.10854	0.8
240.08597	0.7
250.07121	8.3
266.10239	5.8
268.08167	15.0
269.08658	0.5
284.11313	13.2
287.05356	0.6
310.09229	23.5
328.10263	10.5
388.13879	1.4
448.16058	100.0
449.16156	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70699	0.5
53.03931	1.4
54.50726	0.4
58.97615	0.5
65.03931	1.6
69.69672	1.2
69.70090	1.5
71.04998	0.6
71.15142	0.4
79.05492	0.8
81.03449	0.5
81.07033	0.8
85.02902	0.8
87.04465	0.9
88.04761	0.6
88.32584	0.5
91.05489	29.0
93.07047	7.4
95.04970	1.2
97.21884	0.4
98.21421	0.5
98.97571	0.5
103.04885	0.5
103.05479	6.3
104.04980	0.7
105.04492	0.9
107.04926	0.6
107.08593	0.7
109.06544	0.7
117.05748	1.4
118.06490	0.6
119.04952	10.9
120.08039	0.6
121.06519	30.7
122.06039	0.6
122.06821	1.4
130.06543	5.0
131.07321	1.3
132.04454	1.0
132.08087	0.6
137.05988	20.4
144.08067	0.6
146.05994	2.5
148.07597	1.0
149.02365	0.8
158.06001	0.6
160.07581	0.5
162.05510	0.9
163.03882	0.5
163.11172	1.4
164.06987	0.6
169.94473	0.4
172.07547	2.2
174.05508	2.3
176.07092	7.3
178.05070	0.9
178.08592	3.0
188.07033	1.0
191.09380	1.1
202.04999	7.3
202.08589	1.3
204.04689	1.0
204.06584	16.3
204.10193	7.3
216.06506	1.1
218.08180	4.8
220.06070	7.6
220.09695	1.7
222.07756	0.8
222.11354	1.0
230.04558	3.5
232.06119	0.8
233.11673	1.0
234.07639	18.8
236.09196	61.0
248.05591	3.3
248.09206	1.3
250.07065	2.1
252.08682	1.3
254.10146	1.3
260.05624	0.9
262.07135	9.2
264.08768	4.2
266.10254	16.7
278.06555	1.1
280.08188	43.9
281.08466	0.7
281.23569	0.5
284.11215	1.5
292.08224	4.5
294.09625	1.8
296.07581	0.9
309.11765	0.5
310.09210	23.9
328.10370	0.6
416.13434	3.2
430.15033	1.0
448.15945	100.0
449.16223	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80336	0.5
61.79570	0.4
61.90823	0.5
65.03941	4.1
69.36314	4.3
73.38022	0.5
75.72065	0.4
79.05491	1.3
80.05044	0.6
81.03416	0.5
81.07063	1.3
91.05486	66.4
92.04993	1.0
95.04964	0.4
98.20751	0.7
104.05014	1.4
106.06549	1.7
107.04951	0.8
108.04517	0.5
109.06532	2.9
116.04969	1.4
117.05602	1.0
119.04951	32.6
120.04488	0.7
132.04485	3.4
132.08133	0.5
133.05260	1.3
134.05994	4.0
136.03857	0.5
137.05983	100.0
138.06303	0.7
144.04448	5.6
148.03915	0.6
150.05553	0.9
160.03946	19.7
162.05513	14.1
164.07114	1.5
165.04324	0.6
166.08665	1.4
174.05527	1.3
176.07088	5.7
178.05000	11.7
180.06601	1.3
188.03453	1.6
191.05772	0.7
192.06566	52.1
193.06982	0.8
194.08138	66.4
195.08534	0.6
196.06091	0.4
202.04982	1.9
206.04506	4.0
208.09674	2.3
220.06061	29.4
224.09155	0.7
236.09187	9.3
238.07120	17.5
247.39134	0.4
248.05621	0.7
252.08675	10.2
262.07312	0.6
268.11862	2.3
280.08173	65.5
281.08441	0.7
287.05460	1.5
294.09738	10.4
310.48294	0.5
312.10809	20.2
315.94983	0.5
406.14789	0.5
416.13596	1.0
448.16052	74.2
449.16385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.28484	0.5
56.05018	1.2
60.05622	0.7
62.53236	0.5
69.03425	0.6
70.06577	0.8
71.55772	0.9
76.11431	0.5
79.05433	0.5
79.15269	0.5
79.33365	0.5
81.03364	0.7
83.06084	1.6
85.02860	1.7
91.05442	1.1
95.04935	0.7
95.06088	0.5
105.03365	1.6
105.05769	0.8
106.06553	9.1
111.05570	5.9
111.55562	0.5
113.07056	0.8
118.06551	4.4
120.03634	0.6
120.04469	12.7
121.06492	1.1
123.05519	0.8
126.06642	7.8
126.91085	0.6
127.07401	0.7
130.06488	0.8
132.04466	19.6
134.06018	9.7
137.04686	1.0
140.08170	1.1
142.03154	0.5
145.03935	0.6
146.02359	0.8
148.07532	1.4
149.07098	0.6
151.06145	7.6
168.08789	2.1
175.08769	0.7
202.07950	1.1
202.09758	12.9
202.11633	0.7
214.09827	0.7
216.11331	3.0
229.77940	0.6
230.09253	8.6
231.12480	1.4
232.10875	4.6
242.09265	3.7
257.10345	4.5
259.11908	78.7
260.12433	0.7
268.11722	1.5
277.12976	1.9
284.11383	5.5
301.14099	6.8
302.12482	32.2
319.15149	1.6
335.10983	0.6
362.18222	0.9
406.17245	13.0
413.15527	0.6
430.18286	1.3
431.16711	0.7
448.19421	100.0
449.19714	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.5
55.05521	1.8
57.03442	1.8
58.41511	1.6
60.31080	1.3
61.02920	2.2
66.36850	1.4
67.05507	5.4
68.36692	1.3
69.03427	5.1
69.07077	9.5
71.04999	2.8
71.15018	2.5
73.81916	1.3
79.05503	11.4
81.07063	5.9
83.04990	16.3
85.02916	6.7
88.80403	1.2
91.05475	9.6
91.46735	1.4
92.91463	1.4
93.07056	12.0
95.04972	5.2
95.08623	4.2
97.02911	3.6
97.06527	14.2
99.04459	3.0
103.02568	1.4
103.05492	1.8
105.07029	18.7
107.04976	8.1
107.08611	9.8
108.58540	1.4
109.06524	4.5
117.07022	5.1
119.04962	2.2
119.08604	5.5
121.06532	21.4
125.06001	26.2
129.07057	1.6
130.07776	1.4
131.08565	5.4
133.06526	3.0
133.10147	2.0
135.08083	3.8
135.11700	2.0
137.06007	1.6
139.07564	3.0
141.07004	1.8
143.07039	25.9
145.06444	3.1
145.10144	31.8
147.08086	1.5
147.11697	5.5
151.07587	4.6
159.08029	2.9
159.11732	10.5
163.11197	100.0
169.10144	3.7
173.09642	32.9
177.12801	3.1
187.11191	23.7
189.12769	3.8
191.10690	20.6
197.09764	2.9
205.12231	19.1
209.11781	3.5
215.10696	20.9
222.07709	1.9
233.11739	65.6
251.12852	13.2
252.08723	5.2
266.10403	1.7
269.13876	7.4
301.59793	1.4
310.09308	2.1
417.27835	1.5
448.16132	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.1
55.05500	4.0
55.40507	2.7
59.85730	3.3
67.05501	11.3
69.03437	8.2
69.07077	17.4
71.05000	3.3
71.36666	5.8
72.08152	10.8
72.40514	2.7
79.05506	14.4
81.03419	3.7
81.07082	13.8
83.04994	34.6
85.02910	8.3
85.06564	4.7
87.04484	3.4
87.54250	2.7
91.05492	15.7
93.07059	33.6
95.04958	9.9
95.08646	5.5
97.06537	33.6
99.04447	9.1
103.05448	2.9
105.07050	42.1
107.04958	12.5
107.08622	23.0
109.06518	31.7
115.05365	2.7
117.07053	7.8
119.04929	19.9
119.08584	10.4
121.06513	42.1
125.06001	58.8
125.56488	2.9
127.07537	7.2
128.06203	4.0
129.07016	6.9
129.97273	2.8
131.08627	14.2
133.06520	8.6
133.10117	4.5
135.08029	3.3
135.11768	4.3
137.05962	8.8
139.07504	15.9
141.06978	3.3
142.07869	3.3
143.07050	55.1
143.08667	6.8
144.09360	5.9
145.06490	7.0
145.10138	79.3
147.08125	3.8
149.05946	2.8
151.07545	11.3
155.08549	4.2
157.06519	3.1
157.08609	25.8
158.07297	6.8
159.08154	3.7
159.11708	37.5
159.46878	3.1
161.13326	4.1
163.11180	55.2
169.10190	8.2
172.08833	4.0
173.09637	45.7
177.12753	12.1
177.61511	3.2
179.08615	3.4
187.11208	51.3
191.09081	5.1
191.10655	25.7
196.78569	3.1
197.09641	10.1
205.12283	70.2
209.11703	6.8
215.08632	6.1
215.10693	91.2
223.13379	15.4
233.11736	100.0
247.60060	3.1
251.12796	92.1
252.08626	7.2
269.13876	40.1
381.49988	3.5
448.16159	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	448.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	3.6
55.05514	5.3
57.10700	2.9
67.05476	4.2
69.03433	6.6
69.07080	3.6
70.06625	3.2
71.57083	4.5
72.08163	19.2
77.03909	3.0
79.05487	17.9
81.07060	15.8
83.04977	11.8
85.02882	7.2
91.05481	8.7
93.07037	31.9
95.04954	9.9
95.08602	9.7
97.02875	6.0
97.06512	14.9
99.04436	9.0
105.03745	7.2
105.07040	24.3
107.04949	10.4
107.08579	16.7
109.06502	11.5
117.07005	6.6
119.04933	7.5
119.08607	8.5
121.06516	45.0
121.10120	4.6
125.05983	25.3
129.06943	2.9
131.08598	8.0
132.95265	3.6
133.06561	4.2
135.08075	4.8
135.11693	12.3
137.05948	11.2
139.07515	7.1
143.07060	14.5
143.08551	6.4
145.06493	3.2
145.10139	41.0
147.11700	10.8
151.07550	4.2
157.08595	8.5
158.07249	5.3
159.11702	21.4
161.13271	5.0
163.11188	76.7
164.07024	7.9
169.10153	9.1
171.11719	3.9
173.09642	45.9
177.12816	3.8
179.08635	4.9
181.12254	17.3
187.11156	31.0
189.12650	5.0
190.08702	6.9
191.10648	11.9
191.14230	3.7
196.10602	3.6
197.09622	13.6
204.06538	3.3
204.10219	6.9
205.12230	19.3
209.11618	4.7
215.10728	43.5
222.07600	7.6
227.12761	20.7
233.11725	100.0
236.09152	4.7
237.17319	3.1
238.07112	5.9
242.07967	3.2
250.10689	4.1
251.10478	4.0
251.12830	77.1
252.08728	27.9
255.05251	6.0
260.08762	2.9
268.08054	18.3
269.13794	17.1
270.07651	16.8
287.05487	10.3
288.08664	23.0
310.09128	7.7
374.12646	4.9
439.04337	3.0
448.18610	11.5
461.56375	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	448.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99736	0.9
55.01869	0.9
55.05493	0.8
56.96570	0.9
67.05492	3.1
69.07053	1.5
69.33826	7.3
77.03886	0.8
79.05497	2.5
81.07043	2.7
83.04983	1.3
87.70795	0.8
89.75191	0.8
91.05023	0.9
91.05482	8.2
93.07050	9.1
95.04971	1.6
95.08576	1.5
97.06527	3.8
103.05484	8.4
105.04520	1.0
105.07041	7.3
106.50714	0.7
107.08589	1.0
109.10173	1.2
119.08580	1.3
121.06514	100.0
131.08623	0.9
132.47835	0.8
133.10182	1.1
145.10114	1.1
247.77571	0.8
268.13397	3.8
347.98083	0.9
413.26724	2.9
448.30933	2.4
467.38763	0.9
469.41617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64716	11.0
52.14589	11.2
55.05516	14.5
57.03451	47.7
57.07087	40.0
67.05527	56.0
69.07083	21.2
71.08666	13.5
71.57108	11.0
76.35176	11.5
79.05500	30.4
81.07081	53.8
82.07413	14.3
83.08636	17.4
84.96751	12.3
91.05494	70.2
93.07066	41.4
95.08641	52.6
98.98466	63.4
99.08102	23.1
105.07021	16.9
107.08609	24.5
109.10174	34.4
113.00030	95.3
121.06539	30.0
121.10194	19.2
123.11732	17.6
131.13068	12.9
135.11729	12.6
137.00002	58.6
155.01070	59.4
169.02669	43.7
177.57542	14.0
203.82948	14.4
238.74936	12.7
244.21573	14.0
247.04016	13.2
313.27380	28.4
336.26373	37.3
399.44141	17.3
448.25665	16.5
449.26633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
56.16805	0.1
67.01862	0.5
68.99803	0.3
70.52354	0.4
70.52705	0.3
75.76607	0.2
81.03407	0.2
91.05460	0.2
93.07043	0.3
97.02883	0.2
103.05444	0.2
121.06541	1.2
122.06838	0.5
135.04422	1.2
137.02368	0.4
146.06053	0.3
147.06400	0.2
153.01830	4.4
161.02361	0.5
171.02861	0.3
175.46672	0.2
178.08650	0.6
179.03441	0.4
179.08974	0.4
191.95021	0.2
202.85587	0.2
212.02823	0.2
212.91180	0.2
231.06499	0.3
237.09477	0.2
241.04938	0.5
250.10715	0.3
251.10907	0.2
252.12378	0.5
253.12665	0.5
269.04620	0.3
269.08728	0.2
287.05521	100.0
288.05847	1.8
296.11310	0.6
296.27753	0.2
297.11658	1.1
355.43420	0.2
449.10992	0.9
449.19913	3.8
449.25555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	isoscutellarein glycoside
Peak:m/z	Relative Intensity
53.03927	0.7
55.01855	1.0
56.96544	0.5
57.03423	1.3
61.02916	0.7
68.99799	0.8
69.03418	0.8
70.06572	1.1
70.22734	0.5
73.02904	0.5
80.79936	0.5
81.03391	2.2
81.07048	0.5
85.02903	2.7
86.09663	0.5
91.05479	1.5
95.04971	0.5
97.02876	1.2
98.97580	0.7
103.03922	0.6
109.02869	1.5
109.06483	0.6
117.03387	0.8
119.04951	0.7
121.02834	1.6
121.06539	2.8
123.00766	0.8
131.04939	0.8
135.04414	4.2
137.02351	6.8
141.01790	1.4
146.10986	0.6
147.04425	1.7
149.02353	3.4
153.01808	0.9
161.02316	3.1
163.03900	2.7
165.01837	18.4
167.03410	4.4
175.03865	0.8
177.01848	2.1
179.03368	1.7
181.05049	0.8
183.02878	4.0
187.03873	1.3
189.01805	0.7
191.03445	1.9
195.02904	1.7
201.49393	0.6
203.03462	1.2
205.05040	1.4
217.39267	0.5
231.03033	0.6
233.04466	0.7
243.02904	1.0
245.04404	1.2
245.88177	0.5
255.06401	1.2
271.06003	0.9
272.06796	0.7
283.06024	8.4
286.04688	3.1
287.02234	0.7
287.05496	13.1
295.06015	2.3
296.07986	0.7
297.07556	8.5
299.05508	100.0
300.06204	10.4
309.07535	1.2
311.05649	11.9
311.09186	2.6
313.03519	0.5
313.07095	2.2
321.07709	3.0
323.05545	2.1
324.06384	2.8
325.03488	1.9
325.07040	23.3
327.05038	0.9
329.06558	75.3
330.06812	0.7
337.07095	2.5
339.04733	1.2
339.08636	16.0
349.07016	2.6
351.04935	0.7
353.06570	41.4
354.07074	0.7
365.06595	11.5
367.08084	2.8
371.07733	0.6
377.06555	8.6
383.07623	28.2
384.07828	0.8
395.07645	19.2
413.08676	24.4
431.09756	16.7
431.15656	0.8
449.10672	7.6
449.16824	3.1
450.18097	0.5
470.22916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
63.31944	1.0
63.77551	0.9
68.99743	1.0
69.61486	2.5
69.61901	3.2
73.86893	0.9
79.01843	3.2
81.03414	1.4
85.02895	2.0
135.04391	2.4
135.95393	0.9
137.02350	16.0
137.03334	1.1
147.04465	1.2
153.01888	1.3
161.02335	2.3
165.01828	5.3
177.01855	1.5
179.03447	2.5
205.05035	1.0
217.04985	4.5
229.05014	3.5
243.02911	3.9
243.06544	1.7
259.06012	3.3
261.03970	2.3
268.03275	0.9
271.06125	5.9
272.06821	8.0
278.91031	1.0
287.05548	6.2
296.80093	1.0
297.07495	1.2
298.60074	1.1
299.05508	73.4
300.06296	36.9
301.07022	3.3
311.05569	13.7
313.07047	19.6
323.05621	1.4
324.06403	2.6
325.06985	6.6
327.05042	2.8
329.06558	97.4
337.07037	1.1
339.04996	2.6
339.08643	19.9
341.06683	4.3
343.08270	1.4
349.07111	1.1
353.06549	21.9
359.07495	6.9
365.06546	1.7
367.08154	5.4
371.07373	1.6
383.07672	15.5
383.12381	0.8
395.07556	10.1
413.08649	28.7
414.93301	1.0
431.09747	49.3
449.10818	100.0
450.11157	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
52.17765	0.1
63.37205	0.1
67.01888	0.5
67.02165	0.1
67.13351	0.1
67.40247	0.1
68.99794	0.3
69.03409	0.2
69.04301	0.1
69.70790	0.4
69.71181	0.2
81.03425	0.1
82.90849	0.1
83.89790	0.1
85.02874	0.3
85.90351	0.1
89.03893	0.1
93.07035	0.2
97.02848	0.2
98.20743	0.2
98.21336	0.2
117.03367	0.2
121.06483	0.4
135.04420	1.3
137.02310	0.5
153.01834	4.5
161.02345	0.5
168.57047	0.1
171.02895	0.2
179.03392	0.3
203.03470	0.2
213.05382	0.2
217.04901	0.1
227.07904	0.1
236.15071	0.1
241.04955	0.5
245.04584	0.1
252.08861	0.1
254.06821	0.2
263.05460	0.1
269.04401	0.4
269.09204	0.2
287.05508	100.0
288.05856	1.3
449.10831	3.4
449.16013	0.1
449.20038	0.3
450.11652	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1421
Annotation	Agehoustin C
Peak:m/z	Relative Intensity
50.63473	1.5
55.01873	2.0
57.03424	2.0
61.02919	4.0
69.03431	5.7
69.87331	3.6
69.87740	7.6
81.03440	2.7
85.02917	15.4
97.02926	7.3
98.97617	4.3
99.85891	1.9
101.00926	4.6
101.25733	1.7
111.04476	1.8
111.11758	1.5
113.26130	1.6
119.02000	4.5
122.50905	1.6
127.03958	4.2
131.02011	1.5
137.06009	8.2
143.01944	3.4
145.05032	4.6
147.04488	2.3
157.03540	2.9
161.03041	2.8
167.95901	1.5
176.84174	1.6
177.01151	1.5
179.07170	2.1
184.05811	3.0
205.05672	2.9
219.01848	1.9
223.06767	4.5
228.08061	1.9
265.07788	2.1
267.07330	1.7
268.18286	1.6
287.05542	3.6
367.10858	2.0
371.12131	2.5
389.12915	2.0
401.13409	1.6
419.14212	1.8
449.14059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05494	1.0
56.96555	0.8
59.21297	0.4
59.50520	0.4
60.10625	0.6
61.30520	0.5
62.70093	0.5
63.81035	0.6
67.01852	0.6
67.05489	1.2
69.03429	0.6
69.06736	0.7
69.07074	10.9
69.78931	1.6
69.79342	1.3
70.47851	0.4
71.08626	0.6
72.04534	0.5
74.02457	2.9
74.09727	0.6
75.16078	0.5
79.05484	0.9
81.07040	1.6
83.04977	0.7
84.04503	0.8
86.09709	34.9
91.05496	0.7
93.07018	1.3
94.91164	0.5
95.08595	1.7
97.06510	2.2
97.07065	0.5
105.07005	1.0
107.08588	1.6
109.10170	0.7
119.08600	1.8
120.04481	0.8
121.10081	0.9
123.11662	0.6
126.09145	0.9
130.08655	0.8
131.08575	0.9
132.10213	5.8
133.10138	1.1
135.04391	2.0
135.11676	0.6
140.10701	3.7
143.08560	0.7
145.10089	0.9
147.11674	1.1
148.03899	1.3
151.06259	1.2
152.07053	1.9
153.01849	5.1
159.11746	1.0
173.13239	0.9
175.14954	0.6
180.06564	59.7
181.06929	0.8
182.15514	0.6
187.14894	0.7
199.11058	0.6
201.16409	0.6
222.07635	9.7
287.05508	100.0
288.05798	1.7
299.05646	1.2
329.06656	1.2
341.55963	0.5
353.06174	0.8
361.21179	0.8
403.22437	1.0
403.29840	1.0
407.21823	9.9
449.10501	2.9
449.22821	74.6
449.29453	2.4
450.23166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01514	0.6
53.03944	2.0
53.91460	0.6
55.01632	0.6
55.01874	9.4
55.05512	3.4
56.96557	1.4
57.03421	0.7
61.02916	0.6
65.31746	0.6
65.73704	0.7
67.05502	5.9
69.03415	0.8
69.07054	2.3
71.04987	0.8
71.08627	2.1
71.56813	1.0
79.05483	5.8
81.03419	1.3
81.07070	7.0
83.04986	6.9
83.08620	1.4
85.06543	1.2
86.09760	0.8
91.05482	8.0
93.07053	13.2
95.04976	2.4
95.08609	4.2
95.92795	0.6
98.07879	0.7
98.97572	0.7
98.98445	1.2
99.08089	1.5
103.05479	6.0
105.04542	1.3
105.07039	2.7
107.08593	6.3
109.06506	1.2
109.10153	2.9
113.09682	1.0
113.70560	0.6
118.06548	0.7
119.08585	2.0
121.06508	100.0
121.10143	2.1
122.06838	1.6
123.08045	0.8
125.09636	27.6
129.06996	0.9
131.08594	1.0
133.10136	2.0
135.08025	1.1
135.11687	2.2
137.05991	2.2
143.08557	1.3
144.79010	0.7
145.10121	0.8
146.06003	1.1
147.04419	0.8
147.11723	1.7
149.09552	0.8
149.13245	1.4
151.07553	1.3
159.11629	0.7
161.13248	0.8
171.11646	1.0
179.14297	2.4
188.07100	1.2
190.57886	0.7
229.07458	0.9
249.18584	1.4
275.20145	1.5
277.21674	2.6
287.05444	3.8
293.21094	1.6
331.15692	0.9
349.17038	0.7
351.25281	6.5
413.26843	0.9
428.92245	0.6
449.21378	1.7
449.28888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87905	1.8
55.05501	6.7
55.52837	2.1
57.03429	6.0
57.07078	11.5
61.02924	3.9
64.16116	1.8
64.41375	1.7
67.05515	2.5
69.03085	3.1
69.03436	60.5
69.07058	2.8
69.49745	14.9
71.04980	1.8
71.08622	6.9
80.76900	2.1
81.03407	4.5
81.07034	6.0
83.04981	13.2
83.08606	2.7
85.02937	10.9
85.10197	5.5
87.04482	3.9
95.08604	7.4
97.10194	3.5
99.04469	12.7
103.03957	2.3
103.84991	1.8
109.10146	4.2
111.04467	11.2
118.98141	2.0
129.05495	31.1
147.06561	12.0
153.01819	5.2
165.07593	7.3
257.94070	2.2
267.26672	3.4
287.05515	100.0
288.05707	1.9
299.05551	3.9
329.06775	2.7
380.42010	1.9
413.32645	15.2
431.34213	2.3
433.67551	2.0
449.10812	3.4
449.30774	3.3
449.35999	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.8
57.03430	0.9
61.02911	2.3
69.03437	4.1
71.56662	1.1
73.02907	0.8
78.29877	0.8
81.03400	2.7
85.02921	16.1
87.04461	1.5
91.05486	1.1
93.07072	0.9
97.02886	3.2
109.02895	1.0
121.06535	2.3
127.03895	2.3
137.05931	0.8
145.04956	2.0
170.06007	1.1
172.07542	1.1
173.09756	1.0
200.07109	2.4
202.04950	1.9
226.04939	0.9
227.05739	2.7
228.06570	8.2
230.04498	3.4
242.08122	3.1
255.05342	6.7
256.06082	4.3
257.06946	3.7
258.07471	1.0
260.09222	10.0
270.07672	15.2
272.09183	2.8
288.08698	100.0
289.09103	1.6
341.67801	0.9
409.45038	1.0
450.14017	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	450.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	1.8
69.43249	1.1
69.43674	1.5
76.03640	0.3
79.05487	0.8
81.07066	0.7
85.02905	0.3
89.06062	0.5
91.05485	27.3
96.62966	0.3
98.21236	1.3
104.04961	0.4
105.07086	0.3
106.06565	1.4
107.04945	0.9
107.07409	0.4
109.06531	1.5
112.57832	0.3
117.18066	0.3
119.04954	12.1
120.04487	0.4
121.02882	0.8
121.08892	0.6
132.04488	1.1
133.05325	0.4
134.06023	3.7
137.05983	28.8
144.04451	1.2
146.02675	0.3
147.04350	0.3
147.97252	0.3
148.07585	0.6
150.05539	0.5
150.09117	0.5
151.06320	0.4
152.07069	0.6
155.07083	0.4
160.03952	4.6
162.05510	9.4
164.03459	0.5
165.07886	0.4
166.08676	1.3
176.07028	2.4
178.05009	3.9
178.08652	0.9
180.06578	1.0
185.69067	0.3
188.07074	0.6
190.01637	0.3
192.06557	4.5
193.08583	0.3
194.08144	15.5
195.08839	0.6
204.06572	5.2
206.04512	1.0
206.08171	2.5
208.06125	0.4
209.10451	0.4
210.11357	0.4
220.09721	3.1
222.07626	9.0
224.09166	5.9
232.06233	0.4
236.09180	22.5
238.10750	37.4
239.11127	0.5
240.08725	0.4
246.07500	0.4
250.07091	1.8
254.10280	0.9
264.08746	2.8
268.08243	0.4
270.13318	4.5
270.18604	0.4
282.09732	32.6
296.11304	3.3
314.12378	2.5
376.13739	0.4
398.63019	0.3
404.13464	0.5
418.15231	1.3
432.23785	0.7
450.17636	100.0
451.18060	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.8
57.03439	20.1
59.04994	5.0
60.04515	2.8
61.02922	3.4
69.03432	69.6
71.09512	1.6
71.09843	1.2
73.02913	4.9
75.04469	1.5
81.03417	4.3
85.02911	66.9
87.04475	49.8
91.03985	2.9
91.05458	2.5
93.07031	3.0
97.02900	63.1
99.04464	2.3
103.03918	1.9
105.06982	1.1
109.02869	2.5
115.03941	92.1
117.07040	4.5
121.06516	44.1
127.03917	12.9
128.06334	1.5
131.08519	1.4
133.04976	100.0
135.08075	2.4
145.04982	18.1
145.06491	33.8
145.39754	1.2
150.07628	16.8
157.06476	2.1
159.08080	4.7
163.06046	5.2
163.07558	15.4
169.04951	1.9
175.07555	14.0
179.07028	2.8
181.08601	5.5
187.06038	2.2
187.07547	15.3
189.09138	2.2
199.07581	1.2
205.06860	1.5
205.08615	15.3
217.06793	2.3
217.08647	20.7
217.72462	1.2
223.05959	1.7
229.08699	6.3
235.09630	11.3
235.38153	1.4
237.61969	1.4
241.07089	2.9
247.09752	7.1
259.08124	5.2
265.10706	8.6
277.09232	3.5
288.11969	2.3
293.94888	1.2
295.10098	5.5
318.15448	1.5
404.22900	1.5
414.01492	1.2
450.17535	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	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57004	1.9
69.03403	3.4
69.81797	9.8
70.06603	9.2
71.42276	1.7
85.02888	2.7
91.05486	46.6
91.34676	1.6
95.04944	2.8
98.21117	5.7
104.68276	1.7
109.06552	2.1
112.07558	7.9
113.50933	1.8
118.06496	3.3
119.04956	19.6
120.08097	4.4
123.04416	3.5
125.02297	4.6
127.03893	2.5
136.07567	2.2
137.05986	49.1
140.06996	3.2
146.05922	4.7
147.06960	2.0
151.03848	2.7
162.05449	6.2
164.06985	3.2
167.07011	5.5
174.05424	3.7
180.06451	2.3
190.04965	2.8
192.06476	7.7
194.08054	4.2
211.05963	8.2
218.04424	4.5
220.06032	9.9
224.09032	3.2
224.26913	2.0
234.07489	2.2
236.05528	12.3
236.09074	6.0
236.64383	1.8
238.07019	2.6
238.10612	8.1
239.07733	2.1
243.08627	9.5
243.15056	2.1
250.07086	17.7
252.08679	51.1
255.45462	1.9
259.77554	2.1
270.09772	9.6
277.64758	2.2
282.09552	5.7
288.05786	3.6
289.15451	2.5
296.07733	27.2
300.05603	3.3
314.08688	3.5
330.06686	2.4
450.13553	100.0
451.13824	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	450.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42792	1.4
53.03947	2.5
55.01872	3.6
57.03442	45.1
61.02932	17.3
69.03435	40.8
70.94441	3.8
71.01356	4.8
73.02922	96.6
81.03423	6.5
85.02909	96.5
87.04474	4.7
88.91376	1.4
90.86469	1.7
91.03950	4.5
91.05500	3.8
93.07037	3.0
96.04498	1.3
97.02902	78.5
99.04455	4.9
103.03969	3.5
103.05477	2.4
109.02895	9.3
115.03938	58.5
117.07010	1.6
121.06513	100.0
127.03927	30.5
131.08640	2.5
132.06602	3.8
133.04962	18.3
141.07022	1.8
144.06564	3.0
145.04979	41.1
145.06483	11.7
150.07631	11.7
151.07585	3.0
157.06477	2.8
159.08051	8.6
163.06044	22.0
163.07549	5.9
169.06467	1.8
175.07558	8.0
179.07062	6.1
180.08710	1.5
183.08167	2.9
187.07547	38.5
199.07567	1.7
201.09198	2.3
205.08623	35.0
217.08611	11.1
223.06030	7.5
229.08661	18.4
235.09721	11.3
241.07111	10.3
247.09714	17.8
253.10687	2.1
259.08157	8.0
265.10748	19.6
295.10300	8.8
301.12793	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	450.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01873	1.7
55.05510	3.4
57.03436	1.1
61.02935	0.9
67.05507	4.3
68.99790	1.1
69.03423	3.5
69.07064	5.9
70.06586	1.5
70.33765	1.6
70.34140	2.6
71.04987	1.9
77.03938	0.8
79.05498	5.7
80.05033	1.4
81.03410	1.9
81.07056	16.4
83.04967	3.4
83.08621	3.2
85.02911	7.5
85.06536	2.4
91.05475	5.7
93.07046	13.4
95.04958	3.5
95.08623	7.1
97.02885	2.8
97.06550	6.6
99.04445	4.4
105.06389	1.2
105.07033	18.2
107.08595	18.0
108.04488	7.6
109.06537	9.7
109.10151	4.9
111.04440	1.2
111.08063	2.6
113.03970	0.7
117.07003	1.0
119.04920	1.0
119.08592	11.2
121.06509	11.6
121.10147	12.0
123.08073	8.0
123.11716	18.3
125.06009	1.3
127.07543	5.1
129.07034	1.0
129.55917	0.8
131.08582	1.9
133.06482	0.9
133.10155	2.9
135.04413	2.0
135.08060	4.3
137.05966	3.3
137.09586	2.9
137.13263	1.1
139.07549	5.2
143.07042	1.3
143.08575	1.8
145.10127	1.9
147.08044	1.9
147.11696	64.1
148.11971	0.9
149.13274	5.6
150.05476	4.2
151.05817	0.8
151.07547	1.3
153.01837	2.7
154.02180	1.9
157.08751	1.1
157.10107	3.8
161.13254	2.8
163.07561	1.1
163.14848	1.6
164.07039	1.0
165.12766	63.8
167.07100	1.4
171.11661	2.5
173.09676	0.9
173.13266	1.5
175.11165	5.6
183.13817	10.5
189.12740	6.4
191.14334	2.6
193.12259	12.8
199.11188	4.1
207.13788	3.7
209.15405	8.2
211.13306	2.5
217.12254	10.3
217.15735	0.9
224.09293	4.1
229.14365	50.4
235.13303	21.3
235.16844	1.3
253.14366	100.0
254.09111	1.1
271.15384	3.6
287.05511	28.9
288.05856	70.5
288.12436	3.1
450.10989	4.9
450.18423	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49215	1.4
55.05509	4.0
58.79696	1.6
65.03937	1.7
67.05509	33.1
69.07058	6.2
71.56795	1.4
79.05497	8.6
81.07064	44.2
83.08611	5.4
85.06515	2.2
88.07621	2.7
91.05474	14.7
93.07054	11.3
95.08614	42.5
97.06540	2.9
97.10184	5.1
105.07030	4.1
107.08612	10.6
109.10168	20.1
111.08083	3.3
117.07003	2.0
119.04961	23.4
119.08592	5.0
121.06484	2.0
121.10168	9.6
121.10886	1.9
123.08053	1.7
123.11700	9.9
131.08575	2.3
133.10164	12.3
135.11696	11.4
135.34843	1.4
137.09628	3.3
137.13268	4.4
145.10146	3.1
147.04424	100.0
147.11661	2.8
149.02354	3.9
149.13258	6.3
151.11232	7.9
155.10701	2.5
159.11714	2.6
165.05521	14.3
169.12250	2.9
173.13219	2.0
181.12273	1.6
184.07436	1.5
191.17915	1.4
193.04955	4.6
195.13783	4.2
215.17981	17.0
233.19069	14.9
251.20088	58.8
252.20580	1.6
269.21289	2.7
284.29504	2.0
348.01093	1.7
348.53156	1.8
450.32150	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	450.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
51.95322	0.3
53.03936	1.5
55.05515	0.7
57.03449	2.0
57.07074	1.3
58.07386	0.5
67.05495	1.5
69.07071	0.8
69.31165	0.9
69.31573	2.4
70.09493	0.4
70.16865	0.4
71.08652	0.6
72.08987	0.5
77.03934	0.4
79.05489	0.8
81.07063	1.5
85.10203	0.4
91.05492	5.7
91.51418	0.4
93.07053	8.5
95.04968	1.4
95.08613	1.4
95.92909	0.4
98.98493	3.3
103.05492	6.1
105.04521	0.6
105.07053	1.0
107.08609	0.8
109.10166	1.1
119.07738	0.5
119.08608	0.6
121.06518	100.0
122.06774	0.4
122.50206	0.4
131.08545	0.4
135.11742	0.5
137.00003	2.4
143.53305	0.4
149.55711	0.4
155.01057	2.8
177.81030	0.4
181.37363	0.4
213.00449	0.4
277.21744	0.8
314.27682	1.8
450.26947	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	451.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01875	0.3
55.05499	0.6
55.59258	0.3
57.07055	0.3
57.32538	0.3
65.03935	2.2
67.05491	1.1
69.03417	0.6
69.07066	2.2
71.25053	0.5
79.05502	1.4
81.03426	0.4
81.07059	1.6
83.08610	0.5
85.02872	0.6
86.09709	3.5
91.05487	34.8
93.03408	0.8
93.07035	1.1
95.04974	3.8
95.08621	1.9
97.02888	1.1
97.06525	0.5
98.97595	0.6
103.05453	0.5
105.04585	0.3
105.07038	2.0
107.04941	0.6
107.08595	1.8
108.05753	0.5
109.06491	0.3
109.10155	1.1
110.97536	0.3
111.04437	0.7
112.61792	0.3
118.63308	0.3
119.04950	22.2
119.08578	2.0
121.02869	1.8
121.06487	1.2
121.10143	1.1
123.00808	0.4
123.08084	0.8
123.11716	0.7
125.36366	0.3
127.62745	0.3
131.08604	0.5
132.10208	0.8
133.10146	1.0
135.04344	0.4
135.11722	0.7
136.05206	3.7
137.05971	3.0
139.03926	0.4
140.10719	0.6
143.08611	0.7
145.10106	1.1
147.11731	0.6
148.03792	0.3
149.02335	3.1
149.13261	0.4
151.07552	100.0
152.07887	0.9
155.03369	0.6
155.08655	0.3
157.10144	0.8
159.11739	0.9
161.09628	0.4
161.13326	0.6
163.14790	0.3
164.07074	5.3
167.03456	1.3
171.11758	0.7
173.13258	0.9
175.14836	0.6
177.05499	0.8
177.16438	0.4
180.06573	1.6
181.04971	1.7
185.13217	0.6
187.14865	0.9
189.16412	0.6
191.03459	0.9
197.13321	0.4
199.14925	0.5
201.05511	0.9
201.16446	0.7
203.18106	0.3
209.04495	2.3
213.16379	0.4
219.01796	0.6
222.07666	0.4
223.06050	0.9
237.02711	0.7
241.07106	0.7
283.08075	1.4
287.05661	0.6
288.05936	0.9
289.06104	1.2
319.24402	0.3
377.20691	0.6
391.22296	7.3
405.31638	1.1
409.10489	0.3
409.16006	0.7
410.21298	0.5
433.13235	0.5
433.31174	0.7
451.17007	1.5
451.24139	0.8
451.32260	3.1
468.01147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
61.18202	0.3
67.05497	0.9
69.03423	1.1
69.07047	0.4
70.06590	0.6
70.49506	1.0
72.08135	0.4
75.45732	0.3
79.05502	1.4
81.03419	0.7
81.07051	0.9
83.04983	0.5
84.04523	0.3
85.02906	3.0
91.05485	3.2
92.06239	0.3
93.07048	1.0
94.06571	1.3
95.08614	0.8
96.08126	1.1
96.25334	0.3
97.02887	1.2
97.10127	0.3
103.05482	0.6
105.07040	1.0
106.06575	2.0
107.08598	0.9
108.08134	0.7
109.02892	0.6
109.06523	0.3
109.10131	0.5
117.05824	0.5
118.06550	2.5
119.07330	0.8
119.08576	1.4
120.08112	12.4
121.06537	0.3
121.10168	0.5
122.06059	0.4
122.09644	0.4
124.07599	6.9
126.09178	1.2
127.03934	0.5
129.00952	0.3
129.07043	0.4
131.08574	0.6
133.10136	0.7
134.06023	5.8
135.04492	0.3
135.06786	0.4
135.11665	0.4
136.07574	3.0
137.05978	2.1
138.05458	0.8
138.09145	0.8
145.02779	0.5
145.10121	1.1
146.05989	4.6
147.06824	2.5
148.07576	10.9
150.09163	1.0
152.07088	0.6
153.01895	1.1
157.10161	0.8
159.11694	0.7
162.09106	0.4
163.03911	0.6
164.07079	57.8
165.07692	0.9
166.08626	2.2
173.13286	0.4
187.14867	0.9
194.08145	0.3
198.09210	0.4
199.14731	0.5
200.10735	0.5
201.16469	0.7
205.15956	0.5
214.11055	0.9
215.15498	1.5
216.10280	1.4
221.45808	0.3
226.12311	1.0
228.10214	0.9
229.13347	1.0
232.09686	0.5
243.14960	6.8
245.16507	3.1
253.13388	1.7
254.11768	1.4
257.35013	0.3
271.10077	0.5
271.14432	24.1
287.05524	6.4
288.05865	5.4
289.06198	11.3
289.15479	100.0
290.15814	1.3
405.31628	0.5
407.32800	0.5
451.10837	0.7
451.16003	1.0
451.21765	1.8
451.32242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37252	1.1
64.71288	0.9
68.29527	0.8
70.13878	2.7
83.13241	0.8
91.05474	2.6
93.07040	3.9
103.05485	2.1
103.62157	0.9
109.10159	1.1
118.66931	0.9
121.06516	32.4
135.04384	1.1
137.05981	1.9
149.02315	1.5
151.06302	1.2
151.07594	1.0
152.07045	2.5
156.62903	1.0
164.07124	1.4
166.05026	8.6
180.06566	100.0
181.04915	1.0
186.35864	0.9
208.06053	4.3
209.04453	1.0
222.07623	96.3
282.09824	1.8
286.10626	1.1
328.11823	14.4
352.71426	1.1
359.07919	1.0
402.15350	1.6
433.12991	1.4
463.62607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68267	0.3
56.46638	0.3
57.98622	0.3
58.99854	1.8
67.05498	0.6
69.06454	0.4
69.07066	0.6
77.00517	0.4
77.00910	5.8
79.05486	0.6
81.03430	0.5
81.07038	1.2
83.08603	0.4
85.71299	0.4
91.05460	0.6
93.07021	0.5
95.01951	4.4
95.08608	1.7
97.02882	0.3
100.02463	0.4
107.08633	0.8
108.52372	0.4
109.10108	0.6
119.05000	0.4
121.06446	0.5
121.10159	0.5
123.11720	0.7
137.05965	1.3
137.54994	0.3
141.71542	0.4
155.09203	0.7
165.05428	0.7
169.10715	0.5
183.12291	1.1
191.12950	0.4
193.14365	1.1
207.12352	1.0
209.13879	0.6
211.15427	2.6
213.63385	0.3
217.10640	1.8
219.12283	8.3
225.13364	4.9
226.96533	0.3
231.10735	0.4
232.10814	0.3
233.10173	0.5
235.11824	2.4
237.13368	81.7
238.13457	1.9
243.14445	16.4
244.14732	0.4
248.14891	0.6
253.12869	1.8
255.14435	100.0
256.14575	2.2
260.14935	4.7
261.15396	2.1
264.09277	0.4
266.15994	0.7
273.15491	8.1
278.16043	6.4
292.52094	0.4
421.27786	0.8
451.29071	45.0
452.29364	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
57.03191	1.9
57.03442	25.3
59.04991	3.5
60.04514	3.1
61.02909	4.4
66.89301	1.3
69.03431	73.3
70.15086	2.4
71.86363	1.3
73.02908	9.4
75.97722	1.1
77.13099	1.3
81.03398	6.4
83.49512	1.3
85.02904	54.9
87.04472	52.9
88.47611	1.4
91.03952	1.3
97.02894	61.4
98.97556	1.6
103.03942	2.0
105.03348	1.7
106.39873	1.2
109.02877	35.8
115.03932	86.5
123.04402	4.1
127.03908	8.6
131.04909	1.5
133.02876	17.4
133.04967	100.0
137.05968	6.1
141.05469	39.7
145.04955	11.1
147.04401	4.1
150.07628	20.0
151.03929	3.9
151.05911	1.3
151.58804	1.4
153.05479	2.8
159.04417	2.5
161.05841	1.6
163.06058	1.6
165.05479	32.1
169.04982	2.5
175.07504	1.2
177.05470	11.6
181.05002	2.0
183.06520	6.6
187.05948	1.9
201.02170	3.3
207.06529	7.9
219.06502	15.6
223.06094	2.0
237.07579	26.9
241.07051	1.8
249.07568	1.7
259.08096	3.6
267.08585	10.0
273.09683	1.5
277.09064	2.3
290.07059	1.7
295.10312	2.5
300.27698	1.2
338.10028	1.6
428.02393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97598	1.0
53.03950	4.3
55.01876	2.9
55.05506	2.7
57.03442	2.1
61.02939	1.5
67.05509	14.7
68.99768	1.6
69.03443	10.2
69.07068	4.0
71.05006	10.6
71.56684	1.5
73.02920	1.8
79.05505	5.3
81.03423	9.4
81.07067	13.1
83.04974	3.8
85.02425	1.6
85.02912	26.1
85.06554	9.4
86.88705	1.0
87.00839	11.1
91.05489	15.4
93.07047	9.9
95.04955	1.2
95.08624	1.2
97.02902	10.2
98.27430	0.9
99.04477	3.4
101.95634	0.9
101.96346	1.1
105.01876	11.0
105.07037	20.5
107.08603	23.0
109.02892	23.2
109.06547	2.3
109.07640	2.0
109.10165	37.0
113.06042	1.0
121.06493	4.0
123.08083	1.1
123.11716	4.1
127.03929	20.7
127.07564	1.2
129.01846	1.5
133.10143	87.4
145.04933	6.1
151.11198	100.0
159.02939	3.5
163.03970	2.4
165.05406	1.7
168.91133	1.0
169.12263	39.0
187.13307	62.9
213.03934	6.7
231.05106	6.5
237.18546	1.5
249.06133	1.3
272.14075	2.2
329.70712	1.2
381.15485	1.4
399.16479	1.6
424.42288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.05048	0.5
57.03449	0.2
58.06347	0.3
58.06622	0.5
60.08168	6.0
67.05518	0.6
69.07069	0.3
70.73675	0.6
71.04991	0.3
71.07375	2.6
71.29793	0.2
79.05504	0.7
81.07057	1.0
83.04990	0.3
84.08156	0.6
86.09709	29.4
91.05463	0.5
93.00404	0.2
93.07040	1.2
95.04942	0.3
95.08598	0.4
98.21172	0.4
98.98473	2.0
103.05484	0.4
104.10748	3.5
107.08600	0.5
109.07639	0.3
112.11259	0.6
115.21663	0.2
121.06524	1.8
121.10143	0.3
122.06870	0.4
125.00013	21.4
133.10155	0.3
149.13254	0.4
163.03827	0.2
164.07129	0.4
184.07349	100.0
185.07776	0.4
208.09702	1.2
209.10016	0.9
234.07631	0.2
255.15878	0.3
269.17383	0.3
270.84494	0.2
272.05838	0.9
434.23227	1.2
452.24173	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	452.2409
Annotation	Terpendole H
Peak:m/z	Relative Intensity
50.92134	0.3
51.04547	0.4
53.03947	0.3
53.24004	0.3
55.05518	0.8
56.05036	1.2
57.03429	0.9
58.06612	1.3
59.07382	0.5
60.08168	15.3
67.05518	2.8
69.07072	1.4
69.53220	1.7
70.06574	0.3
71.07378	5.6
79.05482	1.6
81.07069	3.0
83.04983	0.5
86.09711	45.9
91.05482	1.1
93.07050	3.4
95.08605	1.0
97.06567	0.5
98.98457	3.2
99.08097	0.4
103.05475	0.4
104.10751	100.0
107.08620	1.0
114.19228	0.4
115.59436	0.4
121.06516	2.9
121.10165	0.9
125.00012	25.2
128.59839	0.3
149.13283	0.8
163.01570	0.5
183.22685	0.3
184.07350	83.9
185.07870	0.4
228.79735	0.3
258.11145	1.0
269.17514	0.8
272.05984	0.4
434.23080	7.0
452.24146	43.0
453.24405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.05497	6.7
57.03440	3.0
67.05495	5.4
69.03431	8.1
69.07068	6.0
70.06582	6.8
71.04993	17.4
71.58509	2.1
71.58938	2.1
73.02906	3.1
79.05478	7.4
81.03408	3.7
81.07071	17.6
83.04992	4.1
83.08587	2.6
84.04451	2.6
84.08144	10.1
85.02915	15.5
85.06525	5.8
91.05488	18.5
93.07053	15.9
95.04956	3.4
95.08585	10.1
97.02905	7.5
97.06558	2.1
99.08065	2.8
103.05468	2.2
105.07029	38.3
107.08600	12.3
109.02908	3.1
109.06496	4.1
109.10156	19.5
112.11275	2.1
117.07015	4.3
119.04969	2.8
119.08578	12.9
121.02831	4.3
121.06503	8.0
121.10132	9.2
123.11704	4.6
124.07581	2.3
125.09637	15.7
127.03927	2.3
127.11207	20.0
131.08586	11.2
133.10136	100.0
135.11676	6.4
137.06004	12.5
138.06284	2.3
139.11189	3.1
141.71954	2.2
143.10690	24.7
145.10130	15.7
147.11705	4.2
149.13297	3.1
151.11209	6.4
152.10727	2.4
153.12715	2.6
159.11703	11.9
161.13283	7.3
163.03937	3.4
164.07076	9.7
167.06982	4.0
177.16231	2.2
180.10190	3.5
187.13364	2.3
198.07562	2.1
201.16373	29.7
202.05801	2.7
219.17467	36.5
219.19339	1.5
224.62529	2.1
237.18500	65.0
255.15729	3.3
255.19608	4.6
256.10715	2.6
287.05527	2.6
288.05869	9.9
289.06107	5.5
290.06509	10.1
323.31787	2.2
370.58841	2.0
392.17505	3.1
392.21844	6.4
452.18851	4.2
452.26175	4.8
452.32346	4.2
453.21085	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1733
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
57.02757	0.6
61.36268	0.5
66.40862	0.5
67.95443	0.6
69.03446	0.9
70.73699	1.7
85.02921	0.8
92.82089	0.6
121.06506	1.2
163.03958	2.5
185.04233	17.6
247.13092	1.6
291.12051	52.8
375.46085	0.7
415.15720	0.7
453.17355	100.0
454.17734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22620	0.5
69.26567	4.8
69.57659	0.5
81.07043	0.5
85.02908	0.8
91.05513	0.8
107.04957	1.3
121.06548	2.7
163.03819	0.8
185.04311	0.7
203.05321	3.4
210.14815	0.6
229.12038	1.9
247.13077	2.2
273.06195	0.7
273.11392	0.6
291.12064	31.2
409.18307	1.6
453.17371	100.0
454.17715	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1735
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
53.24813	0.4
58.56320	0.5
70.33411	0.9
71.61019	0.4
84.08107	0.6
93.07036	0.5
98.21141	1.0
105.07001	0.4
110.42040	0.4
112.11191	0.6
121.06480	0.7
129.03920	0.5
161.02963	1.0
165.12740	0.4
185.04250	1.4
200.54614	0.4
203.03970	0.6
229.12067	0.7
247.13104	4.2
267.10938	0.6
289.10428	0.5
291.12030	100.0
292.12399	0.9
375.12585	0.6
453.17331	80.6
454.17780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.2
67.05503	6.9
69.03451	6.5
69.07058	5.6
70.06597	14.5
71.05004	29.5
79.05479	4.6
81.03434	2.6
81.07068	21.6
83.04993	5.0
83.08628	3.2
85.02895	10.8
85.06537	7.5
91.05479	10.9
93.07050	23.9
95.04964	12.9
95.08592	13.2
97.02874	3.5
97.06560	3.9
97.10168	5.9
105.07031	32.5
107.08601	30.8
109.10162	22.3
112.07607	6.7
119.08604	17.2
121.10152	89.0
121.11021	4.3
123.11678	4.9
125.09651	42.8
127.11201	11.6
131.08578	7.9
133.10149	91.2
135.04419	3.5
135.11697	7.0
137.05984	3.5
140.07089	5.5
143.10683	100.0
143.11801	5.2
145.10123	11.5
147.11696	12.1
149.13246	6.6
151.11197	16.4
159.11720	19.4
161.13255	6.2
163.03893	6.4
175.30638	2.8
189.16388	40.8
191.17868	2.6
201.16414	16.9
207.17459	21.8
219.17458	45.5
225.18555	6.0
237.18526	50.9
241.52377	2.6
255.19606	38.2
265.23410	3.0
273.12454	3.2
273.20605	18.5
291.21658	10.9
316.66226	2.7
399.23413	4.0
453.14368	5.7
453.21207	5.4
458.19312	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	453.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.3
54.85128	2.8
55.01874	3.8
55.05519	26.6
55.69911	2.4
57.03452	11.6
57.07065	5.5
57.48249	2.0
61.02925	9.4
67.05518	22.6
69.03438	100.0
69.07076	23.5
69.35667	9.3
69.36095	9.1
71.04994	8.9
73.02929	4.1
79.05499	10.4
81.03412	13.7
81.07059	29.7
83.04986	34.2
83.08633	16.5
85.02914	26.5
85.06546	2.6
86.09701	4.4
87.04495	13.3
91.05458	11.7
93.07051	15.9
95.08617	27.3
97.06525	3.9
97.10182	13.0
99.04470	20.4
100.31787	2.4
103.03948	2.5
104.27631	2.2
105.07043	8.8
106.40301	2.1
107.08592	8.8
109.10178	12.6
111.04452	26.7
111.08047	3.1
111.11722	8.2
113.09633	2.6
117.05495	3.2
117.07048	2.7
119.08599	11.3
121.06523	20.1
121.10150	14.2
122.06890	2.6
123.11742	6.5
125.09677	3.3
129.05487	45.7
131.08595	4.1
133.10141	10.0
135.11708	13.0
137.09645	5.6
139.11163	3.7
143.08548	2.7
145.10139	6.5
147.06540	32.6
147.11703	7.8
151.11176	4.1
151.14804	2.7
157.10139	4.7
159.11700	2.8
161.13217	6.0
165.07619	62.6
165.12729	4.3
167.06779	2.4
175.14891	4.2
179.14261	4.3
183.08678	6.3
187.14835	3.2
189.16345	2.6
193.19571	2.6
201.16432	2.5
203.17978	2.7
217.19566	21.4
235.20590	21.4
253.21658	30.6
271.22733	3.5
316.07101	2.3
344.55426	2.3
381.26224	4.2
399.27457	56.3
407.25336	4.2
417.28510	4.0
453.33804	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.05512	17.5
57.07069	4.8
58.50338	2.7
59.60040	2.7
65.03924	7.0
67.05514	29.2
69.07074	25.2
70.86262	5.5
79.05493	22.5
81.06583	3.7
81.07063	63.6
83.08611	10.5
91.05487	48.0
92.05826	4.9
93.07050	45.2
95.05011	3.7
95.08611	88.0
97.10170	4.7
99.08077	9.7
105.07034	52.4
107.08603	74.0
109.06501	5.8
109.10167	45.6
111.08092	26.6
115.05471	2.7
117.07012	8.1
119.04960	9.3
119.08595	100.0
119.09463	4.9
121.10153	53.5
123.11726	15.7
128.06198	4.3
129.07013	7.8
131.08588	34.3
133.10147	53.7
135.07967	2.9
135.11702	29.2
137.04892	3.5
137.05977	74.5
137.13268	3.4
137.39917	2.9
138.06331	15.4
138.72627	2.6
139.06551	6.9
139.11226	5.3
143.08565	18.5
144.09346	3.5
145.10130	62.5
145.18700	3.3
147.11691	49.7
149.13261	28.8
153.09160	4.3
155.08629	4.4
156.09384	4.5
157.10146	20.1
158.10931	4.4
159.11710	48.3
161.13269	29.3
163.07538	6.4
163.14813	14.0
169.10153	12.3
171.11693	24.9
173.13281	45.4
175.14832	28.5
177.16295	14.5
179.14378	3.3
181.05031	4.7
181.10172	3.3
183.11720	12.0
185.13272	14.8
187.14833	32.4
189.16396	34.3
191.14490	3.7
191.17972	6.1
195.11743	3.4
195.17433	6.3
197.13292	13.3
199.14841	26.9
201.16385	65.0
203.14322	3.9
203.18015	19.3
205.15916	6.2
207.17531	10.1
209.13330	4.9
211.14807	9.7
213.16386	26.1
215.14505	3.1
215.17986	22.0
217.12326	3.1
217.19609	5.7
219.13850	5.6
219.17488	7.2
225.16405	8.4
227.17923	12.8
229.19705	4.9
231.17509	5.1
233.15424	4.4
237.16341	2.8
239.18048	10.5
241.19603	10.3
245.15411	6.2
247.17056	12.7
253.19649	12.1
255.21049	6.2
259.16989	7.7
261.22351	3.5
265.19492	3.7
267.21164	10.7
271.16962	3.4
273.18561	3.7
273.22159	6.7
285.18555	5.5
287.20132	5.8
299.20221	6.5
313.21527	6.9
335.27292	6.2
389.32108	15.6
395.29495	4.6
407.33130	82.8
409.35065	5.9
423.32510	9.1
435.32574	36.0
453.33655	93.0
454.34027	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	453.3378
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03945	3.8
55.05518	15.7
57.07052	5.1
59.04536	3.3
65.03932	6.3
67.05496	31.2
69.07070	20.2
69.56768	22.8
79.05495	26.4
81.07058	57.5
83.08641	7.8
91.05482	47.6
92.05807	4.8
93.07056	57.3
93.40851	2.9
95.08612	96.8
99.08079	8.1
100.61090	2.9
105.07040	62.0
107.08601	84.3
109.06524	5.6
109.10172	51.0
110.05579	3.2
111.08096	22.1
117.07026	11.1
119.04936	11.9
119.08598	93.5
121.10152	45.1
123.11748	22.6
125.09612	4.1
129.07022	4.3
131.08574	39.2
133.10149	55.3
135.11716	33.7
137.05983	74.1
137.13260	8.9
138.06325	17.5
139.06558	8.6
139.11177	13.0
143.08562	14.1
144.09334	4.4
145.10129	68.9
147.11700	51.9
149.02353	3.4
149.12379	3.1
149.13281	36.6
153.09055	6.8
153.12740	3.9
155.08623	7.0
157.10146	23.3
159.11708	52.9
161.13297	35.1
163.07532	6.2
163.14815	15.0
165.12733	6.3
169.10223	6.9
170.10942	3.6
171.11731	23.3
172.12454	5.3
173.13290	42.2
175.14847	32.8
177.16461	16.9
181.05005	5.4
183.11716	11.2
185.13275	20.2
187.14835	30.8
189.16362	31.7
191.17998	7.2
195.17462	9.0
197.13249	11.4
199.14844	31.6
201.16388	73.0
203.17981	22.3
205.15779	8.8
207.17453	11.3
209.04401	4.8
211.14857	14.1
213.16418	21.7
215.17947	28.6
217.19481	5.3
219.13803	9.0
219.17458	9.9
223.14755	4.6
225.16470	11.4
227.17952	12.1
229.19466	6.0
233.19008	4.1
239.17941	15.1
241.19519	12.4
243.21169	4.7
245.15379	8.7
247.16949	13.2
253.19528	13.5
255.21169	8.4
259.16898	8.8
265.19479	4.8
267.21100	10.2
269.06781	3.8
273.22086	5.9
279.21347	5.1
285.18628	6.9
287.19989	8.6
287.47116	3.8
299.20093	11.4
299.23499	3.7
313.21768	6.1
313.25101	4.0
335.27383	5.0
349.28851	4.9
389.32059	10.9
395.29367	9.1
407.33099	75.6
409.34927	5.4
423.32489	10.6
425.34790	3.8
435.32645	39.9
453.33691	100.0
454.34073	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03947	4.6
55.05511	15.8
57.07070	6.4
65.03938	3.6
67.05508	29.9
69.03435	4.3
69.07060	19.9
69.79526	16.1
79.05485	26.5
81.07059	47.0
83.08609	11.2
91.05476	25.1
93.07050	49.1
95.08611	88.0
97.09594	3.1
97.10175	4.4
99.08103	9.5
105.07033	64.5
107.08600	81.4
109.10154	45.8
111.08057	22.0
117.07011	10.4
119.08586	92.9
121.06508	22.1
121.10146	46.9
122.06874	6.1
123.08067	4.3
123.11778	14.5
128.06256	3.6
129.07014	5.4
131.08566	33.7
133.10141	56.2
135.11703	28.3
137.05992	12.1
137.13252	6.1
139.11177	7.9
142.07806	3.8
143.08560	19.9
144.09364	3.5
145.10129	59.5
145.11287	3.2
147.11690	54.6
149.13258	35.8
155.08589	8.5
156.09334	2.5
157.10107	22.1
159.11687	53.4
161.13246	38.0
163.07500	3.3
163.14828	12.5
165.12762	3.8
169.10135	7.4
171.11708	22.5
172.12326	2.9
173.13274	43.1
175.14833	35.0
177.05447	4.4
177.16402	19.5
179.14305	6.4
183.11696	7.3
185.13322	14.1
186.14053	3.1
187.14856	38.3
189.16391	36.2
193.15869	3.7
195.11693	3.7
195.13739	3.3
197.13213	13.0
198.58142	2.9
199.14793	25.6
201.16383	76.7
203.14255	4.5
203.17970	23.5
205.15935	9.0
207.17493	15.9
209.13286	4.6
210.04916	2.7
211.14839	12.1
213.16388	21.8
215.17966	19.1
217.19427	5.9
219.13896	7.8
219.17500	7.5
221.19058	3.2
225.16464	8.6
227.17957	10.1
229.15950	3.4
229.19624	3.7
231.17415	4.3
233.15381	7.9
233.19043	5.3
233.52628	3.0
237.16364	3.6
239.17996	9.8
241.19582	11.0
245.15405	6.5
245.19095	4.4
247.16928	13.4
253.19582	8.0
255.21170	5.6
259.16956	6.5
260.52426	3.4
261.18668	3.2
267.21149	10.4
273.18735	3.7
273.22086	4.3
279.20969	3.5
281.22720	3.8
287.20093	6.3
299.20114	6.2
313.21307	3.8
335.27600	4.2
389.32022	12.3
395.29556	9.9
407.33115	70.2
409.35086	4.3
423.32587	7.7
435.32678	41.2
453.33698	100.0
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
53.13054	2.2
54.98064	2.2
55.05513	15.1
56.63029	2.7
57.07074	5.0
65.03905	2.3
67.05508	24.3
69.07074	21.4
70.97707	6.2
73.05627	2.4
76.50927	2.6
79.05499	16.4
81.07060	52.7
82.79906	2.0
83.04971	12.7
83.08623	9.5
91.05484	22.0
93.07040	43.9
95.04987	6.1
95.08606	74.4
97.06551	2.6
97.10186	4.5
105.07024	55.1
107.08594	65.8
109.06533	10.0
109.10161	45.8
111.08057	13.1
117.07039	7.6
119.06064	2.3
119.08581	81.5
121.06516	2.6
121.10146	38.6
123.08049	2.4
123.11723	13.2
125.09624	7.3
129.07045	6.0
131.08568	29.5
133.10133	51.6
135.08066	5.0
135.11703	23.4
137.09669	3.7
139.11140	2.5
142.07767	4.0
143.08524	14.2
144.09370	3.8
145.10133	61.0
147.11697	34.6
149.09578	4.2
149.13254	18.4
154.53516	2.2
155.08577	3.3
157.10188	18.4
159.11682	41.1
161.09648	2.8
161.13255	31.9
163.07466	2.5
163.11201	3.9
163.14766	17.3
167.10568	2.7
169.10124	7.8
171.11676	20.4
173.13275	31.1
175.14836	28.1
177.09055	2.8
177.16391	18.6
179.14288	2.5
183.11728	9.3
185.13306	10.2
187.14827	45.0
189.16400	38.3
191.14371	8.2
191.17995	10.6
193.15862	3.8
197.13306	6.7
199.14830	19.9
201.16377	56.0
203.14305	4.8
203.17970	21.4
205.15901	24.9
205.19513	2.9
207.17601	4.8
211.14755	5.5
213.16365	25.6
215.17952	22.0
217.15987	9.3
217.19601	3.7
219.17426	23.7
225.16489	6.2
227.18013	9.1
229.15958	5.0
231.17555	6.1
233.19032	5.1
235.17017	8.7
237.16341	3.6
239.17969	6.5
241.19514	26.0
243.21202	7.3
245.15462	3.5
247.14745	2.5
247.16801	11.9
249.18597	2.9
251.18204	2.7
253.19519	5.8
255.21227	6.9
259.20712	4.6
261.18582	9.5
265.19485	3.1
267.21198	8.2
281.22714	2.8
285.18567	6.5
287.20178	6.4
315.23340	3.5
349.28793	3.6
355.26242	2.8
389.31995	14.2
395.29449	6.2
407.33096	63.5
409.34842	4.6
423.32587	5.8
435.32773	29.0
453.33734	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05510	14.6
57.07067	3.8
65.03935	5.4
67.05512	24.2
69.07076	16.3
69.52290	7.4
69.52708	8.5
79.05499	22.4
81.07063	53.9
83.04984	22.0
83.08626	14.3
91.05482	42.0
93.07040	51.7
95.04975	6.9
95.08611	81.6
97.10165	5.6
105.07037	74.3
107.08595	78.1
109.06524	10.6
109.10158	47.1
111.08089	9.5
112.85614	2.6
115.05450	2.9
117.07019	9.6
119.04932	9.3
119.08582	100.0
121.06509	4.3
121.10156	62.4
123.00784	2.8
123.08034	3.5
123.11714	25.8
125.09645	5.4
129.07010	4.3
131.08556	39.9
133.09102	3.8
133.10135	68.2
135.04359	4.9
135.08105	3.1
135.11690	29.1
137.05977	74.6
137.09572	4.4
137.13235	3.3
143.08557	15.0
144.09369	3.4
145.10135	71.9
147.11687	40.0
149.02304	6.6
149.09596	4.5
149.13280	18.0
151.11177	6.0
153.09073	4.7
157.10161	12.6
158.10899	4.2
159.11699	53.1
161.09630	3.1
161.13258	29.6
163.11153	2.5
163.14870	22.2
169.10097	4.9
171.11711	11.3
172.12526	3.8
173.13272	30.4
175.14821	40.4
177.16403	28.1
183.11682	5.8
185.13214	9.4
187.14827	67.0
189.16382	64.4
191.14294	18.2
191.17963	18.5
193.15924	5.3
197.13257	5.0
199.14819	16.2
201.16400	75.6
203.14288	6.0
203.17966	29.9
205.15883	63.9
205.19621	2.9
207.17560	2.7
209.04410	4.9
211.14728	3.6
213.16367	24.7
215.17938	23.5
217.16031	12.8
217.19495	10.4
219.17447	34.9
225.16385	3.1
227.17891	4.1
229.15921	3.4
229.19521	3.5
231.17441	6.1
233.18996	9.7
235.16985	18.5
237.16211	2.7
239.17961	4.1
241.19418	4.3
243.21085	7.3
247.17000	9.7
249.18541	8.4
253.19659	3.0
255.20987	4.9
259.20392	2.9
261.18469	8.3
267.21045	7.9
268.99301	2.3
269.22681	3.0
283.08029	4.6
311.23874	2.9
389.32159	13.0
407.33072	66.1
409.34662	11.4
423.32486	3.4
425.34082	4.8
435.32663	17.1
453.33670	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.47404	2.5
53.03940	4.2
55.05512	19.4
56.96557	2.0
57.07085	3.2
58.29613	1.8
65.03931	2.2
67.05505	31.8
69.07072	20.6
70.09016	10.2
71.08621	2.7
79.05492	21.5
81.07060	57.6
83.08607	10.4
85.67292	2.3
91.05483	28.6
91.12792	2.0
93.07045	55.3
95.04943	4.3
95.08614	81.2
97.02898	4.1
97.10179	4.5
99.08112	6.1
102.16736	2.2
105.04531	1.7
105.07037	63.5
107.05008	2.2
107.08595	79.1
109.06538	3.5
109.10161	41.1
111.08070	20.8
112.86240	2.4
115.05450	3.2
117.07038	7.6
119.04964	2.8
119.08589	91.4
121.06523	3.0
121.10151	41.8
123.08069	5.0
123.11701	18.9
123.74822	2.5
125.09647	4.1
128.06259	3.6
129.07062	6.3
130.07854	2.4
131.08574	35.4
133.10141	53.3
133.11096	4.0
135.08102	3.3
135.11691	31.3
137.05994	20.7
137.13306	7.5
139.11189	5.5
141.07159	2.2
142.07860	2.7
143.08586	12.2
144.09442	2.4
145.10124	63.2
147.11705	50.5
149.13269	37.0
151.07593	3.6
151.11206	2.6
153.09148	2.7
155.08594	5.8
156.09343	2.6
157.10141	22.5
158.10902	3.0
159.11693	45.7
161.13280	33.1
163.07603	5.8
163.11151	2.5
163.14824	19.4
165.12759	2.8
169.10201	8.5
170.10971	3.5
171.11711	26.8
172.12552	2.6
173.09711	2.5
173.13261	38.7
175.14835	31.5
177.05536	3.7
177.16393	19.2
179.14316	4.1
181.10101	2.4
183.11720	11.0
185.13242	16.4
187.07547	2.5
187.14816	37.4
189.16399	31.7
191.18033	4.1
193.15877	4.1
195.11732	3.2
195.17436	5.0
196.73032	2.5
197.13190	11.1
199.14835	22.6
200.23711	2.1
201.16385	71.9
203.14365	4.0
203.17966	19.5
205.15883	11.0
205.19597	3.0
207.17477	14.6
211.14865	9.6
213.16403	23.5
215.17953	19.9
217.15947	5.9
217.19548	5.4
219.13841	5.1
219.17520	9.2
221.18970	2.2
223.06067	2.6
223.14874	4.2
225.16385	11.9
227.18065	9.9
229.19518	5.8
231.17485	4.5
233.15459	5.1
233.19148	3.6
237.16492	5.7
239.17986	10.4
241.19586	6.8
245.15450	8.3
247.16957	17.0
253.19606	9.4
255.21251	6.0
259.16919	5.1
259.20901	2.8
259.69040	2.2
265.19489	3.3
267.21121	8.2
273.18674	2.6
273.22281	3.6
279.21146	3.7
285.18726	4.0
287.20203	5.0
299.20175	6.2
299.23315	2.3
335.27344	4.9
349.29089	3.5
389.32117	12.0
395.29526	7.0
407.33112	68.3
409.35019	5.7
423.32663	9.2
435.32703	37.9
453.23050	4.5
453.33762	100.0
454.33640	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03928	3.0
55.05509	13.2
57.07063	5.8
66.35876	2.0
67.05507	32.6
69.07070	22.9
70.19022	7.3
79.05488	23.4
81.07060	61.9
83.04975	8.3
83.08623	10.6
85.06525	3.6
90.94861	2.1
91.05486	21.4
93.07050	59.0
95.04982	4.7
95.08614	100.0
97.10171	5.0
99.08097	7.9
105.07034	71.4
107.08599	85.9
109.06508	5.7
109.10161	50.6
110.11381	2.0
111.08086	17.0
111.11715	2.7
117.07019	12.3
119.06060	2.0
119.08587	98.3
121.10153	55.7
123.08060	3.2
123.11712	19.0
125.09583	6.2
128.06224	3.2
129.07005	8.0
130.07777	3.3
131.08568	37.9
133.10130	58.8
135.11690	29.7
137.09589	4.6
137.13306	4.4
139.11182	5.5
142.07759	2.9
143.08551	18.1
144.09387	4.3
145.10120	68.9
147.10521	2.7
147.11691	46.4
149.09598	3.0
149.13252	30.4
151.07550	3.1
153.09138	3.7
155.08554	3.6
156.09386	3.5
157.10147	22.9
158.10934	3.4
159.11696	57.4
161.13249	30.0
163.07556	5.6
163.14835	22.2
165.12804	4.0
169.10155	5.4
171.11679	18.9
173.13272	43.2
175.14830	38.8
177.09116	3.6
177.12772	2.9
177.16385	21.3
183.11720	10.1
185.13231	17.8
187.14818	43.4
189.16386	50.3
191.14317	8.0
191.17964	11.7
193.15932	4.1
195.17482	4.5
197.13281	6.2
199.14825	23.7
201.16400	71.0
203.14236	3.1
203.17938	19.6
205.12469	2.5
205.15924	16.3
207.17477	7.1
209.13312	4.1
211.14885	7.8
213.16412	38.3
215.14513	3.6
215.17960	31.2
217.15930	7.6
217.19539	8.7
219.13953	4.5
219.17513	23.6
223.14957	4.1
225.16475	7.5
227.17880	9.9
229.19534	6.8
231.17419	6.7
233.15436	5.7
233.19034	3.5
235.16972	8.6
237.16411	4.3
239.17938	11.1
241.19559	11.8
243.21204	5.0
245.15419	5.0
247.16974	7.3
251.18021	2.6
253.19572	7.3
255.21176	5.1
259.16956	5.7
261.18475	3.6
267.21252	7.9
269.22723	3.2
271.16815	2.2
271.20575	3.1
273.18658	3.0
273.21979	4.4
279.21176	3.0
281.22751	2.8
283.23944	2.3
285.18765	3.7
285.22028	4.3
287.20142	6.8
293.22858	2.5
299.20169	5.5
313.21616	3.3
335.27365	4.9
339.23557	2.1
389.32211	9.9
395.29550	4.4
407.33105	74.1
408.33475	3.0
409.34378	11.2
417.31482	2.9
423.32770	8.9
435.32581	27.5
453.33731	68.7
454.33795	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.42633	2.4
55.01889	4.1
55.05523	14.1
57.07077	6.5
67.05510	35.2
69.03434	34.2
69.07080	18.6
69.75160	16.0
71.05006	6.6
73.05922	2.7
73.06572	5.5
77.30747	2.8
79.05488	17.0
81.03451	3.0
81.07062	37.5
83.04993	6.6
83.08636	12.9
85.06551	3.9
89.06036	39.5
89.29500	2.4
90.06377	6.6
91.05493	15.9
92.93954	2.5
93.07047	32.1
95.04972	30.2
95.08611	49.3
95.09166	4.6
97.06536	10.5
97.10184	3.9
99.08075	5.7
105.07045	27.2
107.04970	4.7
107.08598	37.3
109.06549	4.3
109.10162	27.5
111.08092	10.2
113.40630	2.6
117.07039	6.9
119.08591	32.7
121.10139	38.6
123.08071	16.7
123.11729	19.2
125.09629	7.3
129.07019	5.4
131.08572	15.7
133.07700	3.6
133.08620	20.5
133.10120	22.8
134.08972	4.9
135.08090	7.5
135.11697	17.4
137.09644	6.0
137.13263	3.3
139.11205	3.9
141.09148	6.1
142.07791	4.6
143.08643	14.1
145.10121	25.7
147.11703	16.6
149.09654	6.4
149.13287	7.3
151.11235	6.7
155.08617	6.8
156.09383	3.4
157.10156	18.0
159.11682	25.7
161.09802	2.8
161.13263	30.3
163.11176	5.7
163.14886	5.9
167.10782	5.4
169.10158	9.1
171.11736	19.8
173.13293	18.8
175.14867	10.2
177.11436	3.3
177.12834	7.4
181.10220	2.8
182.11009	3.2
183.11743	11.9
185.13264	20.2
187.14848	17.2
189.12752	6.1
189.16408	12.5
193.10179	3.3
195.11807	8.3
197.13309	10.4
199.14777	15.8
201.12686	3.4
201.16455	8.0
203.14433	4.1
203.17976	4.3
205.15887	3.3
209.13344	8.6
211.14893	11.9
213.16435	10.9
215.17972	3.1
223.14868	6.8
225.16411	9.1
227.14403	4.5
227.18018	13.7
229.15964	3.7
229.19533	3.7
231.17531	8.7
237.16356	3.3
239.14926	32.7
239.17604	4.5
240.15215	26.4
241.15900	3.9
241.19614	4.5
243.17580	4.1
245.18947	18.1
251.17955	4.9
253.19673	5.3
257.19077	7.0
259.20633	11.0
263.17917	3.6
265.19574	4.0
269.19135	5.6
271.20682	4.8
279.21188	3.6
281.19501	2.9
281.22729	3.0
283.20599	9.2
285.22220	10.1
293.22580	3.5
295.20737	6.9
295.24344	10.0
297.22229	6.1
307.20688	3.4
309.22095	6.4
311.23709	24.8
313.25262	37.2
323.23831	3.8
337.25372	16.6
339.26898	9.9
351.26843	5.3
353.28351	3.7
363.26807	21.3
381.27859	64.5
382.28278	3.3
407.33463	4.7
417.31900	7.8
435.32565	30.7
453.33774	100.0
454.33609	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3367
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03937	3.3
55.05519	19.3
55.62990	2.3
57.07074	6.9
65.03923	3.7
67.05513	24.6
69.03440	6.0
69.07075	23.1
70.84002	5.4
71.05004	2.9
79.05505	20.5
81.07059	44.1
83.04982	10.8
83.08630	13.7
83.09076	2.1
91.05486	21.7
93.07050	37.5
95.05005	2.9
95.08617	70.8
97.02900	10.1
97.06544	2.8
97.10178	3.2
99.08089	2.7
105.07035	48.4
107.08601	62.3
109.06522	4.5
109.10163	31.4
111.04445	4.7
111.08076	2.9
115.33632	2.3
117.07024	6.5
119.08594	72.0
121.10152	48.6
123.11706	18.0
129.07019	6.2
130.07770	3.3
131.08580	31.3
133.10130	48.8
135.08009	3.8
135.11705	35.5
137.13271	6.9
139.03893	11.7
143.08559	13.8
145.10136	52.5
147.11703	28.1
149.13248	21.0
153.09116	2.6
155.08647	2.8
157.05017	2.9
157.10136	17.3
157.95897	2.3
158.10847	3.6
159.11716	40.5
161.13287	16.9
163.11212	3.8
163.14856	12.6
169.10165	7.8
171.11711	14.7
173.13290	21.3
175.11261	4.6
175.14854	34.6
177.16402	16.9
183.11728	8.5
185.13254	14.3
187.14833	34.8
189.16406	30.5
191.14381	2.6
191.18024	14.4
197.13309	6.6
199.14850	14.5
201.16379	54.3
203.14305	6.0
203.17949	18.8
205.15924	14.8
207.17523	3.9
209.13237	4.8
211.14854	12.3
213.16327	12.3
215.17941	17.5
215.55913	2.6
217.15814	4.7
219.17485	8.0
223.14935	3.5
225.16386	4.9
227.17879	6.0
231.17529	4.4
233.15425	6.4
239.18054	6.3
241.19574	10.7
243.21083	3.8
245.15454	7.4
247.16962	6.1
251.17966	3.0
253.19650	6.3
255.21094	5.1
259.17117	5.0
259.20508	3.2
261.22290	7.1
265.19470	3.1
267.21262	5.7
281.22684	2.6
285.18469	2.7
293.22897	4.2
299.20087	3.2
311.23810	3.8
319.24353	3.5
335.27551	2.8
339.60303	2.6
341.24356	2.9
353.24805	3.3
389.32068	15.2
407.33121	44.1
407.38281	3.6
409.31177	8.2
417.31558	3.2
423.32925	3.2
435.32715	47.7
453.33762	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03941	2.2
55.05509	9.5
55.46420	1.5
57.07072	3.3
59.99972	1.4
61.56242	1.4
66.88031	1.8
67.05508	13.4
69.07069	14.7
70.27473	6.3
77.77609	1.8
79.05498	8.8
81.07063	30.2
83.04990	6.5
83.08619	7.4
83.46617	1.5
85.06554	1.8
91.05475	15.3
93.07052	26.2
95.04976	4.8
95.08610	44.5
97.06568	2.1
97.10184	2.8
104.10752	1.9
105.07034	35.6
107.08595	44.8
107.99614	1.4
109.06541	2.8
109.10161	25.8
109.10836	2.3
111.08101	5.7
117.07027	6.3
119.08588	50.5
121.10146	30.4
121.11013	1.8
123.08047	2.1
123.11691	9.4
125.09645	4.7
128.06273	2.0
129.07014	3.2
130.07831	2.0
131.08571	17.9
133.10127	32.9
135.08086	2.0
135.11681	16.1
137.09666	2.0
137.13287	2.7
142.07741	2.3
143.08556	12.4
145.10124	35.4
147.11687	20.5
149.09677	2.6
149.13255	16.9
151.11214	3.7
153.09113	2.3
155.08580	4.4
156.09346	2.3
157.10146	13.9
158.10866	2.2
159.11696	28.9
161.13252	17.7
163.07483	1.6
163.11229	3.8
163.14842	10.7
165.12817	1.9
169.10205	4.3
171.11650	12.6
172.12515	1.6
173.13284	18.8
175.14838	22.8
177.09087	2.6
177.16388	13.5
179.14293	2.5
183.11746	6.2
185.13297	8.0
187.11266	2.3
187.14821	29.6
189.12788	2.9
189.16376	31.2
191.14378	4.4
191.17960	6.8
193.15926	3.1
195.11807	1.9
197.13231	3.9
199.14856	10.9
201.16377	32.7
203.14301	2.3
203.17961	16.4
205.15942	11.5
207.17468	3.8
209.13345	2.8
211.14839	4.9
213.16360	18.7
215.14467	3.6
215.17944	22.0
217.15813	8.4
217.19470	2.6
219.17435	13.1
225.16406	3.4
227.18047	5.8
229.19571	3.3
231.13919	1.7
231.17468	5.1
233.19067	3.6
235.17044	6.5
237.16370	2.7
239.18021	3.1
241.19588	5.6
243.21230	3.0
247.17033	5.5
249.18602	3.3
253.19577	3.5
255.21204	3.3
259.17068	2.1
261.18576	6.6
267.21115	4.0
273.18311	1.7
281.22604	2.3
283.24203	2.4
285.18503	1.9
293.22763	5.5
299.20068	3.0
311.23856	3.1
313.21600	2.4
333.25699	2.9
349.28802	1.8
389.32019	9.5
395.29681	2.8
407.33145	31.9
409.35098	2.6
423.32693	2.9
425.34680	2.1
435.32733	30.6
453.33780	100.0
454.33975	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	453.3368
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05517	15.6
57.03432	2.7
57.07074	5.7
67.05502	23.1
69.07069	24.2
69.33649	11.8
69.34073	10.1
71.04992	3.5
73.40980	2.7
79.05494	15.1
81.07057	39.5
83.04975	5.1
83.08626	18.4
91.05488	21.6
93.07047	38.2
95.04990	4.3
95.08608	72.2
99.08110	5.7
100.07708	2.5
105.07040	47.6
107.08597	64.1
109.06515	5.8
109.10164	30.7
116.81644	2.7
117.07026	8.9
119.08584	79.3
121.10139	45.5
123.08006	3.7
123.11677	14.7
128.06157	2.7
129.07008	5.5
131.08565	28.3
133.10135	44.2
135.11694	36.3
137.09653	2.8
137.13239	3.7
139.07581	3.8
143.08539	13.7
145.10123	59.8
147.11694	42.9
149.13248	12.9
151.07565	3.1
154.94171	4.3
157.10139	18.1
158.10942	2.7
159.11714	41.9
161.13272	23.0
163.07558	4.5
163.11137	4.8
163.14809	15.2
169.10184	7.9
171.11693	16.4
173.13274	25.6
175.11194	3.8
175.14818	31.5
177.09209	3.0
177.12845	3.0
177.16345	14.6
179.14369	5.0
181.10106	2.8
183.11697	11.1
185.13242	18.8
187.14835	39.5
189.16408	33.7
191.17969	17.6
195.11710	2.8
197.13260	8.5
199.14854	21.2
201.16385	63.7
203.14374	8.6
203.17981	36.6
205.15866	17.5
207.17532	2.9
209.13261	6.0
211.14842	14.1
213.16370	15.2
215.17944	12.9
217.15849	5.0
217.19470	4.5
219.13872	3.6
219.17476	6.2
225.16400	6.5
227.17975	9.1
229.19496	5.5
231.17482	5.7
233.15411	4.6
239.17949	6.6
241.19495	2.9
245.15422	7.4
247.16997	3.8
249.14990	7.4
253.19554	8.3
255.21043	4.8
259.17004	4.8
267.21063	3.5
279.21094	3.0
285.18457	2.8
346.01343	2.9
382.82422	3.0
389.31964	15.5
391.33478	3.1
407.33139	47.5
407.38483	5.7
409.31006	10.2
435.11145	3.2
435.26825	4.8
435.32684	52.8
453.16772	3.4
453.26129	60.9
453.33557	100.0
454.33554	3.4
471.17822	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	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.05508	16.2
57.03426	2.6
57.07059	6.0
61.63749	2.2
65.03947	4.5
67.05501	22.8
69.07068	20.5
69.46488	17.0
69.46893	5.5
70.73881	2.5
74.84294	2.3
79.05479	21.3
79.07089	2.5
81.07059	64.5
83.04986	19.2
83.08627	11.5
91.05477	29.8
93.07040	51.6
95.04964	5.5
95.08608	84.4
97.06533	2.9
97.10159	3.2
99.08083	3.0
105.07034	81.3
107.08599	92.8
109.06508	6.2
109.10159	48.1
109.10885	1.8
111.08083	5.5
117.07011	10.5
119.08579	100.0
120.19730	2.5
121.10145	74.1
123.08049	6.1
123.11708	29.0
125.09624	15.0
129.06969	5.1
130.07829	3.6
131.08571	40.6
133.10130	79.4
134.30392	2.4
135.08075	3.6
135.11705	32.9
137.09604	5.2
137.13205	2.4
140.70634	2.7
143.08578	20.0
144.09370	6.6
145.10130	76.7
147.10612	4.0
147.11687	33.1
149.09639	3.7
149.13261	15.4
151.11166	6.0
153.09085	4.3
155.08684	2.5
157.10103	11.9
159.11700	73.4
161.13261	34.5
163.11179	4.2
163.14888	17.9
169.10159	3.4
171.11710	13.5
173.13261	40.8
175.10921	2.6
175.14841	44.9
177.09093	4.0
177.16402	17.6
183.11707	3.3
185.13286	7.4
186.14056	2.9
187.14825	62.9
189.16382	64.1
189.18102	3.9
191.14314	19.1
191.17955	23.0
197.13319	5.0
199.14818	15.7
200.10260	2.3
201.16386	91.7
203.14285	3.7
203.17938	23.6
205.15868	60.0
205.19305	3.6
207.17473	5.9
211.14804	2.9
213.16377	43.2
215.14406	3.6
215.17934	42.3
217.15834	11.7
217.19568	11.0
219.17447	64.5
225.16408	3.0
227.17920	4.9
229.19586	4.4
231.17522	6.2
231.21129	2.9
231.89931	2.8
233.19000	9.5
235.16930	27.8
239.17914	4.3
241.19510	10.5
243.21057	5.4
245.22490	2.7
247.16870	15.7
249.18507	3.1
253.19455	3.1
255.21103	6.6
261.04898	2.4
261.18512	9.6
267.20959	11.8
269.22623	3.9
278.23526	2.6
311.23636	5.5
326.05252	2.6
333.64224	2.9
335.49832	2.5
389.32001	15.7
407.33121	84.9
409.34583	9.0
423.32428	3.5
435.32675	16.8
453.26767	4.0
453.33627	58.2
454.33566	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	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05510	14.6
57.07067	3.8
65.03935	5.4
67.05512	24.2
69.07076	16.3
69.52290	7.4
69.52708	8.5
79.05499	22.4
81.07063	53.9
83.04984	22.0
83.08626	14.3
91.05482	42.0
93.07040	51.7
95.04975	6.9
95.08611	81.6
97.10165	5.6
105.07037	74.3
107.08595	78.1
109.06524	10.6
109.10158	47.1
111.08089	9.5
112.85614	2.6
115.05450	2.9
117.07019	9.6
119.04932	9.3
119.08582	100.0
121.06509	4.3
121.10156	62.4
123.00784	2.8
123.08034	3.5
123.11714	25.8
125.09645	5.4
129.07010	4.3
131.08556	39.9
133.09102	3.8
133.10135	68.2
135.04359	4.9
135.08105	3.1
135.11690	29.1
137.05977	74.6
137.09572	4.4
137.13235	3.3
143.08557	15.0
144.09369	3.4
145.10135	71.9
147.11687	40.0
149.02304	6.6
149.09596	4.5
149.13280	18.0
151.11177	6.0
153.09073	4.7
157.10161	12.6
158.10899	4.2
159.11699	53.1
161.09630	3.1
161.13258	29.6
163.11153	2.5
163.14870	22.2
169.10097	4.9
171.11711	11.3
172.12526	3.8
173.13272	30.4
175.14821	40.4
177.16403	28.1
183.11682	5.8
185.13214	9.4
187.14827	67.0
189.16382	64.4
191.14294	18.2
191.17963	18.5
193.15924	5.3
197.13257	5.0
199.14819	16.2
201.16400	75.6
203.14288	6.0
203.17966	29.9
205.15883	63.9
205.19621	2.9
207.17560	2.7
209.04410	4.9
211.14728	3.6
213.16367	24.7
215.17938	23.5
217.16031	12.8
217.19495	10.4
219.17447	34.9
225.16385	3.1
227.17891	4.1
229.15921	3.4
229.19521	3.5
231.17441	6.1
233.18996	9.7
235.16985	18.5
237.16211	2.7
239.17961	4.1
241.19418	4.3
243.21085	7.3
247.17000	9.7
249.18541	8.4
253.19659	3.0
255.20987	4.9
259.20392	2.9
261.18469	8.3
267.21045	7.9
268.99301	2.3
269.22681	3.0
283.08029	4.6
311.23874	2.9
389.32159	13.0
407.33072	66.1
409.34662	11.4
423.32486	3.4
425.34082	4.8
435.32663	17.1
453.33670	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	453.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.3
55.01870	2.9
55.05508	17.2
56.96569	2.9
57.07068	7.3
62.46056	2.3
62.72698	2.1
65.01394	2.4
65.03934	3.9
67.05518	25.5
69.03426	5.0
69.07076	16.8
69.81063	12.0
71.04997	3.8
79.05508	19.2
81.07066	60.2
83.04990	22.1
83.08636	13.1
91.05476	30.6
93.07053	64.2
93.21364	2.2
95.04971	8.4
95.08617	79.2
97.06541	4.2
97.10179	5.2
98.20815	3.3
98.21372	5.2
99.08150	2.5
103.05468	4.8
103.33411	2.7
105.07039	70.9
107.08607	85.4
109.06523	8.6
109.10174	51.1
111.08096	8.9
117.07026	11.9
119.08594	99.2
121.06509	15.1
121.10157	63.6
123.01287	2.6
123.08081	6.5
123.11729	21.7
125.06094	2.4
125.09657	12.5
128.06216	2.9
129.07030	4.0
129.21114	2.3
131.08583	39.9
133.09129	3.6
133.10143	67.0
133.11084	4.9
135.08073	4.8
135.11716	28.4
136.08630	2.8
137.09634	6.6
141.07060	3.3
142.07759	4.4
143.08577	15.2
144.09346	7.9
145.10141	73.8
147.11697	39.5
149.09563	4.9
149.13275	17.0
151.11156	5.7
153.09123	3.9
155.08508	2.8
157.10170	16.1
158.10974	5.2
159.08098	2.5
159.11708	65.1
161.13271	34.8
163.03903	3.1
163.11128	3.4
163.14827	19.2
167.10696	2.6
169.10143	4.6
171.11742	14.7
172.12473	4.3
173.13292	36.2
175.14857	35.6
177.12726	2.8
177.16386	24.9
179.10684	3.2
183.11774	3.6
185.13275	6.6
186.14030	2.8
187.14848	62.0
188.07086	2.8
189.12747	2.6
189.16391	71.0
191.14381	16.6
191.15747	2.2
191.16504	2.5
191.17958	18.9
193.15900	3.6
197.13274	3.8
199.14810	18.1
201.16406	100.0
203.14449	3.3
203.17976	21.6
205.15884	42.9
207.17467	4.4
209.13361	2.4
211.14923	6.0
213.16391	38.6
215.17986	30.7
217.15906	15.9
217.19464	11.9
219.17458	55.6
220.18182	2.6
223.14850	2.4
225.16470	3.1
227.18008	5.7
229.19514	5.5
231.17464	7.6
233.19043	8.5
235.16960	28.0
239.17892	3.8
241.19475	11.4
243.17490	3.0
243.21098	9.2
247.17026	12.5
253.19504	4.9
255.21120	7.0
257.22543	3.8
259.20499	3.4
261.18619	13.6
261.20853	2.4
267.21231	11.7
269.22668	2.9
273.02875	2.5
281.22552	3.0
291.19528	6.8
301.21613	2.9
379.33673	3.1
389.27640	3.2
389.31955	15.9
407.33109	78.5
409.34659	8.8
423.32419	3.9
435.32745	19.0
453.23645	4.1
453.33771	57.3
471.80469	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	453.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92125	1.1
53.03948	2.3
55.05518	11.9
55.85524	1.3
56.42921	1.3
57.07071	3.7
62.80197	1.4
64.32462	1.2
67.05520	15.6
69.03429	2.7
69.07069	16.4
69.80109	4.9
69.80542	3.6
71.05035	1.5
79.05506	13.0
80.56819	1.3
81.07066	33.3
83.04964	4.3
83.08630	10.5
84.66544	1.3
85.02895	2.8
85.06528	2.5
91.00765	1.3
91.05492	21.7
93.07056	33.0
95.04960	5.4
95.08615	47.3
97.06548	1.7
97.10159	2.6
98.21030	4.0
99.08112	3.4
103.05471	4.0
105.06384	2.4
105.07043	31.9
107.04941	2.2
107.08604	54.0
108.08912	1.8
109.06541	2.4
109.10175	24.8
111.08071	2.4
117.07014	6.7
119.08595	57.5
120.08947	1.6
121.05652	2.5
121.06518	37.3
121.09315	2.5
121.10155	47.6
122.06828	3.0
122.10487	1.5
123.08099	3.7
123.11719	11.7
124.16817	1.5
125.09702	2.5
129.07001	2.4
130.07800	2.6
131.08580	22.0
133.10143	36.0
135.08078	2.7
135.11720	25.8
135.57104	1.4
135.95778	1.3
137.06068	1.5
137.09656	2.7
137.13260	5.1
139.07526	1.7
142.03252	2.5
142.07735	1.8
143.08572	8.9
145.10136	43.6
146.05983	1.8
146.10429	2.5
147.10669	1.5
147.11719	24.5
149.09610	2.2
149.13254	11.5
151.14767	2.7
153.09084	2.1
155.08551	1.6
156.09351	3.5
157.10184	16.6
158.10861	3.0
159.11714	32.6
161.09615	2.7
161.13281	17.5
163.07538	2.1
163.11209	10.3
163.14833	7.6
169.10109	5.7
170.10858	1.5
171.11717	12.7
172.12451	2.0
173.13293	20.7
175.14854	32.4
177.12787	4.5
177.16396	31.4
179.14351	2.0
181.10049	1.4
181.12289	1.5
183.11693	6.5
185.13249	11.3
186.13893	2.3
187.11224	1.9
187.14839	35.6
189.16402	28.0
191.14365	2.6
191.17924	6.0
197.13287	5.2
199.14848	10.4
201.16402	68.2
203.14389	3.3
203.18033	12.9
205.15897	100.0
206.16164	1.8
207.17509	4.5
209.13266	2.7
211.14844	11.3
213.16383	10.6
215.14319	1.5
215.17903	6.3
217.15886	2.3
217.19514	3.1
219.17430	3.1
224.96468	1.4
225.16464	2.6
227.17935	4.8
229.15904	2.7
229.19487	1.8
231.17479	3.3
233.19080	1.9
233.88310	1.5
237.16385	1.8
239.17938	3.4
241.19482	3.3
243.21056	2.4
245.15306	2.2
247.16960	7.1
253.19545	2.6
255.21022	2.3
257.06003	3.4
259.17001	2.8
267.21030	2.8
287.20267	1.7
389.31952	8.0
400.29709	1.4
407.33124	62.7
409.34830	1.5
423.32156	2.4
425.33975	1.9
435.32733	24.3
453.22842	6.0
453.33646	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	454.2934
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05512	2.5
57.03440	3.1
57.06826	1.9
57.07082	22.3
62.05796	1.4
62.06097	25.4
67.05513	5.7
69.07056	5.0
69.34818	1.1
71.08276	1.5
71.08636	15.3
71.59407	2.2
79.05501	2.0
81.07059	7.9
82.07382	1.4
83.08617	5.4
85.10193	7.1
86.91383	1.0
89.06010	1.3
91.05479	2.2
93.07059	3.4
94.07382	1.4
95.08619	10.6
96.08904	1.4
97.10163	2.5
98.98463	4.9
105.07018	3.6
107.08593	3.2
109.10157	4.5
119.08590	4.2
120.08089	1.0
120.08922	2.8
121.10132	3.6
123.11724	2.5
123.99698	1.3
124.01601	1.6
132.08876	1.3
133.10136	2.8
135.11699	2.3
137.05942	1.5
137.13306	1.2
145.10117	2.2
147.11729	1.2
155.01028	5.5
159.11725	1.9
160.12126	1.0
165.90607	1.2
171.11682	1.2
173.13260	1.4
175.14818	1.4
189.16344	1.9
190.16858	1.2
198.05389	2.2
201.16466	1.3
202.16789	1.3
213.16302	1.1
216.06412	2.3
239.23686	1.9
282.27924	10.4
313.27390	100.0
390.32523	1.5
393.24048	7.4
408.33154	1.2
436.27811	5.5
436.33075	3.0
454.29083	2.2
454.34406	11.0
455.35083	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	454.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.05507	6.7
56.96571	5.3
57.07081	4.8
66.47897	3.4
67.05502	11.9
69.07072	9.1
70.90112	3.6
71.56704	4.0
79.05505	9.9
81.07053	17.4
82.07395	5.5
83.04983	6.8
83.08631	6.9
85.02914	3.9
91.05481	16.9
93.07053	22.0
95.04979	5.8
95.08082	5.3
95.08588	27.5
97.06494	6.8
105.07043	23.6
106.07355	7.1
107.08603	29.8
108.08907	6.1
109.06499	4.7
109.10167	17.8
110.10451	6.0
119.08598	31.4
120.08955	10.1
121.06512	100.0
121.07367	7.5
121.10165	17.2
122.10477	5.4
123.11708	10.8
129.06964	4.6
131.08566	10.2
133.10143	16.9
134.10471	11.5
135.11678	8.7
137.06096	4.4
143.08569	5.0
145.10126	15.8
146.10500	6.1
147.11687	13.7
148.12041	5.1
149.13219	9.1
151.11197	5.1
157.10135	7.1
159.11658	13.6
160.12007	8.9
161.13339	8.4
162.13620	4.9
173.13330	4.7
175.14813	8.5
176.15152	4.8
178.02055	7.6
187.14847	12.6
188.15157	9.9
189.16434	12.2
190.16760	11.4
191.14392	5.2
191.17955	4.5
201.16403	17.9
202.16739	9.4
203.18018	9.4
205.15868	10.6
206.16272	9.8
213.16331	5.9
214.16725	8.2
215.17975	5.7
219.17450	7.7
220.17802	8.2
248.17439	5.9
408.33408	25.6
436.32935	10.6
454.16852	9.7
454.34143	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37984	0.4
51.02093	0.5
70.20989	1.7
76.31880	0.5
78.08949	0.5
112.89622	2.5
147.06422	0.4
165.89249	0.5
187.50793	0.4
455.11655	100.0
456.11969	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1317
Annotation	Nap-Met-OH
Peak:m/z	Relative Intensity
56.96566	2.0
60.52898	0.9
69.48603	1.2
69.76270	2.6
69.76685	2.7
70.06594	1.2
71.42427	0.9
84.96055	1.1
91.05505	1.2
98.21223	3.0
98.97590	10.0
107.93102	1.1
110.97578	3.0
111.59945	0.9
116.98683	1.3
121.06511	1.2
128.98645	2.1
137.05957	1.5
140.98624	1.0
149.06000	1.9
158.99684	1.5
164.79602	0.9
177.00705	1.4
179.03838	3.7
197.04871	1.5
212.70097	0.9
219.01831	3.9
221.04924	2.0
237.02849	6.3
239.05992	1.2
323.08115	5.9
341.09027	4.8
387.13312	2.3
455.13126	100.0
456.13519	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1528
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
57.11716	0.4
68.05032	0.4
69.03426	0.4
69.74575	1.9
70.06584	1.1
74.21105	0.4
78.08755	0.3
84.96046	0.4
91.05517	0.4
98.21476	0.6
102.93938	0.3
114.05536	0.4
121.06528	0.8
147.04422	0.4
165.05473	0.9
255.03653	0.3
262.24081	0.3
323.10928	1.6
412.19690	0.3
455.15292	100.0
456.15369	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19922	0.3
53.03942	0.5
55.05507	0.6
57.03447	2.9
61.02935	0.4
64.23321	0.3
65.03934	1.2
69.03419	1.3
71.00564	0.5
71.01347	0.7
71.04997	14.9
73.02914	0.5
75.04467	0.7
79.05485	0.4
81.03403	0.8
81.07059	0.3
83.04989	2.1
85.02914	20.3
87.04471	0.7
91.04964	0.6
91.05491	6.8
95.08563	0.3
97.02884	2.9
99.04458	0.8
103.63521	0.3
105.07018	0.3
107.04980	3.3
109.02860	0.5
111.04452	1.6
115.98518	0.3
119.04957	18.1
121.06545	0.6
123.04458	0.4
127.03915	1.2
129.05496	5.4
135.04433	0.4
145.06541	0.5
146.06036	0.5
147.04424	100.0
147.65727	0.4
148.04768	0.8
149.05975	0.7
151.03920	0.4
163.03906	1.2
165.05501	1.5
169.04976	0.7
188.07103	0.5
209.60446	0.3
215.07167	0.4
239.07085	0.4
249.07809	0.3
257.07996	0.6
291.08713	1.5
293.10236	1.3
309.09747	4.5
385.18472	0.4
455.15259	0.8
455.22153	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17840	0.4
53.03951	0.5
55.05518	0.5
57.03448	3.1
57.80910	0.4
65.03933	1.2
66.18909	0.4
68.46181	0.4
69.03422	1.7
70.59918	1.3
71.01346	0.6
71.04999	17.0
73.02919	0.6
75.04472	0.9
76.38842	0.4
81.03410	1.2
83.05011	2.1
84.55870	0.5
85.02914	20.6
85.03435	1.0
87.04466	0.7
88.37251	0.5
91.05482	7.6
97.02912	3.9
99.04459	0.9
99.31178	0.5
107.04977	3.3
111.04483	1.4
119.04955	17.2
123.04459	0.5
127.03902	1.3
129.04614	0.7
129.05495	6.7
133.71272	0.4
145.06548	0.5
147.04422	100.0
148.04759	0.6
149.05974	0.5
163.03973	0.8
165.05450	2.2
188.07094	0.6
215.28961	0.4
249.07710	0.6
257.08331	0.7
275.09180	0.8
291.08664	1.2
293.10269	1.5
309.09647	4.2
348.82516	0.4
385.18811	0.5
455.15366	1.1
455.22284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03225	0.5
55.01857	0.6
55.05504	1.3
57.03440	3.0
59.89599	0.5
65.03934	1.1
67.05489	0.5
69.03418	1.8
69.50179	0.4
70.06604	0.6
71.05001	20.3
71.58154	0.8
73.02916	0.7
81.03432	1.4
83.04988	2.3
85.02913	22.0
86.09696	0.6
87.04453	1.0
91.05486	7.1
95.04974	0.6
97.02890	2.6
99.04481	1.3
105.07043	1.0
107.04964	4.2
111.04462	1.9
119.04955	17.7
119.08618	0.9
121.06548	0.6
121.10083	0.5
123.04471	0.6
127.03930	1.7
129.05496	5.2
131.04930	0.6
133.10146	1.5
135.08026	0.5
137.05997	1.1
145.02919	0.8
147.04424	100.0
149.06006	0.6
159.08104	2.2
161.13268	1.2
165.05501	2.2
171.11726	0.6
174.10426	4.4
175.03835	0.6
177.05421	2.5
189.12761	11.7
201.05325	0.5
229.08861	0.5
249.07565	0.6
251.41438	0.5
264.95697	0.5
291.08563	1.3
293.10162	1.2
309.09677	4.8
384.38977	0.5
455.22989	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	455.183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69977	0.7
57.11072	0.6
69.52710	2.9
69.53114	1.2
75.55777	0.6
85.02886	0.7
87.90301	0.7
91.05482	3.5
92.05003	1.1
93.07063	0.6
100.11265	1.5
103.05482	0.8
115.05472	2.9
116.04974	1.7
117.05776	1.3
117.07046	3.6
118.06557	52.7
120.04459	0.9
120.99181	0.5
121.06532	1.4
122.90725	0.6
132.08018	1.0
142.06532	4.6
143.07324	6.0
144.04459	15.5
144.08098	23.3
146.06024	100.0
147.04417	1.0
147.06366	0.8
155.06056	0.7
160.07571	1.5
164.07187	0.9
170.06015	10.2
172.03934	6.7
176.07083	31.9
182.15468	0.7
188.07083	82.7
189.07532	0.8
194.08133	0.9
204.06573	33.9
234.07710	0.8
236.09193	24.2
236.61176	0.7
237.09447	0.7
262.07175	0.9
268.11829	68.1
293.13620	1.0
326.12439	2.0
413.00903	0.7
423.15421	3.3
455.18225	36.1
476.56570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3526
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03956	1.2
55.05510	4.6
57.07071	2.9
57.72169	0.9
60.45444	0.9
67.05508	7.6
69.07074	9.5
71.57791	1.5
71.58152	1.0
72.64192	1.2
79.05482	6.6
81.07059	16.7
83.04987	2.9
83.08627	5.2
85.12914	1.0
91.05491	6.4
93.07049	15.6
95.04976	1.8
95.08612	28.5
96.08913	1.7
97.06508	1.9
97.10171	2.0
99.08103	3.2
105.07033	16.3
105.07668	1.4
106.07334	1.5
107.08598	26.9
107.09296	1.9
108.08942	2.0
109.06509	1.7
109.10165	16.1
111.08087	2.2
112.55739	1.1
117.07052	1.5
119.07786	1.7
119.08586	22.2
120.08965	1.9
121.10142	17.3
122.10590	1.1
123.08078	1.2
123.11707	9.3
125.09596	1.4
129.76807	1.0
131.08606	6.2
133.10138	16.3
135.08069	2.1
135.11691	13.2
137.09627	1.7
137.13283	2.9
143.08601	2.6
145.10120	11.6
147.11697	12.9
149.08522	0.9
149.09676	2.6
149.13283	6.7
151.11182	1.2
157.10132	2.6
159.11716	7.2
161.09627	1.2
161.13264	7.8
163.11230	1.7
163.14842	9.5
165.12848	1.7
169.10196	1.4
171.11766	2.7
173.13330	5.7
175.11218	1.4
175.14854	12.6
176.15186	1.4
177.12785	1.9
177.16406	9.2
183.11774	1.4
184.12552	1.1
185.13324	2.6
187.14850	7.3
189.12729	1.2
189.16397	16.7
190.16795	1.2
191.17967	11.9
199.14764	1.3
201.16394	13.8
203.14372	2.1
203.18005	15.7
204.18240	1.4
205.15941	6.4
207.17509	3.4
213.16376	2.5
215.17999	3.8
217.15964	2.2
217.19534	3.0
219.17522	5.5
221.15392	2.9
222.15707	3.2
223.16031	1.5
229.19501	1.5
235.17043	3.0
239.17992	1.4
241.19592	1.0
247.17052	2.2
249.18468	2.1
255.21092	1.4
257.18851	1.0
269.73029	1.0
273.22092	1.4
285.22238	1.2
301.21680	2.1
308.06369	0.9
330.25452	1.2
391.33606	3.8
409.34589	17.7
419.33234	1.4
427.35080	6.0
437.34167	9.2
455.35263	100.0
456.35971	1.5
475.43494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
50.99273	1.5
55.05509	13.3
56.18575	1.6
57.07070	2.8
59.04984	1.9
64.52145	2.2
67.05509	13.3
69.07070	17.5
70.97232	5.4
71.32454	1.8
72.93376	1.7
72.98530	1.7
77.56283	1.8
79.05498	11.5
81.07060	32.3
83.08611	9.1
91.05463	10.5
93.07047	30.4
95.08613	69.1
97.06513	1.8
97.10169	6.3
105.07025	24.1
107.08602	53.7
109.10158	40.2
111.08085	2.1
111.11748	2.1
117.07025	5.1
119.08588	100.0
121.10149	41.7
123.08062	1.9
123.11713	16.9
125.05966	2.4
127.02040	1.9
131.08557	17.4
133.10141	37.3
135.11693	34.2
137.13252	4.3
143.08545	4.1
144.09399	2.3
145.10126	45.6
147.11684	29.3
149.13287	15.1
151.07552	3.6
153.09145	1.9
157.10098	6.9
158.10889	2.7
159.08058	2.1
159.11700	32.3
161.13261	21.5
163.07581	13.9
163.14830	24.8
163.85741	1.8
171.11687	6.3
173.13269	24.0
175.14848	11.4
177.09106	3.1
177.16370	9.2
179.14383	3.2
183.11638	1.9
185.13310	8.8
187.14812	48.6
189.16382	25.9
191.17957	76.6
199.14801	8.7
201.16391	41.3
203.17964	36.9
205.19513	6.2
207.17400	3.1
213.16394	7.5
215.14322	4.3
215.17929	6.4
217.19522	10.2
219.17360	3.5
221.19006	3.6
224.47571	1.7
227.18037	3.0
229.15834	7.3
229.19501	10.9
231.21010	3.2
233.15408	7.7
239.51753	1.8
241.19739	1.9
243.21054	2.8
245.15343	5.8
247.16968	15.9
253.19073	2.2
255.20956	2.4
257.22528	2.4
261.18506	1.9
269.22620	3.3
273.18497	4.4
341.24631	2.1
353.80353	2.3
391.33572	18.0
409.29568	3.8
409.34677	50.9
437.34244	57.2
455.35147	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	455.3523
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
50.91089	3.0
51.27436	2.9
55.05517	11.8
67.05503	22.2
69.07070	26.7
69.34469	26.3
79.05485	24.8
81.06592	3.5
81.07060	59.2
83.08613	12.2
90.51530	4.0
91.05475	17.4
93.07051	49.6
95.08611	100.0
97.06512	3.0
97.10193	4.4
99.08107	4.0
100.82641	2.8
105.07041	59.2
105.68427	2.8
107.08601	75.4
109.06517	5.9
109.09454	4.7
109.10158	52.0
111.08089	92.9
117.06994	5.9
119.08590	79.2
119.09447	4.6
121.10149	56.1
123.11700	22.6
131.08577	19.8
133.10133	67.3
133.11095	5.7
135.11711	28.3
137.13232	8.2
137.91510	2.8
139.11201	8.0
145.10127	40.6
147.11699	61.3
149.13271	42.2
153.09149	5.8
157.10103	8.7
159.11696	37.0
161.13268	42.4
163.14825	38.2
171.11674	9.6
173.13245	28.1
175.14821	33.8
177.16415	30.8
179.10625	3.9
185.13310	3.4
187.14824	30.5
189.16389	72.5
191.17969	34.2
199.14885	6.6
201.16385	66.5
203.17963	74.4
205.15872	9.3
205.19598	5.8
207.17459	19.7
213.16397	10.1
215.17969	20.9
217.15781	4.3
217.19550	10.7
219.17473	16.6
221.19016	8.2
222.05501	3.4
229.19533	8.0
231.17476	6.0
235.16913	10.5
241.19550	4.0
243.21140	8.7
247.17043	5.9
249.18472	11.2
249.29771	3.0
255.21239	5.1
261.18353	4.5
261.22263	3.6
269.22617	3.6
295.06210	2.8
316.50287	3.1
343.26346	3.3
351.30328	4.7
391.33591	11.8
397.31104	9.0
409.34692	70.3
425.34219	11.1
427.35751	4.7
437.34262	40.0
455.21317	3.1
455.35132	40.9
468.78906	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	455.3522
Annotation	Embelinone
Peak:m/z	Relative Intensity
53.03935	1.3
55.01863	1.0
55.05516	6.5
65.18739	0.6
67.05499	3.0
69.07073	6.8
69.33141	0.6
75.41728	0.7
77.85381	0.6
79.05496	2.5
81.07067	4.8
83.08620	2.7
84.46860	0.6
91.05489	5.5
93.07041	5.4
95.04967	0.8
95.08619	5.7
96.36436	0.7
97.10191	1.9
103.05464	0.8
105.07026	2.4
107.08610	4.1
109.06564	0.9
109.10159	3.0
119.08575	2.6
121.06516	15.8
121.10144	2.0
123.08060	4.5
129.06990	0.8
131.08597	1.5
133.10158	2.4
135.11722	0.6
137.09633	0.8
139.07585	1.3
143.08617	1.3
145.10158	0.9
147.08057	0.7
149.09554	0.6
153.09094	2.8
157.10155	1.3
159.11732	1.2
161.09595	0.7
161.13274	0.9
163.11235	1.1
171.11630	0.7
175.11205	0.9
175.14691	0.7
185.13271	1.1
336.95200	0.6
427.35764	68.9
428.36371	1.0
455.35242	100.0
456.35596	2.0
466.41510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3524
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03936	2.2
55.05513	15.6
55.90277	1.9
57.07071	7.9
58.79522	1.5
67.05503	21.5
69.07075	20.3
71.07767	2.8
71.08114	1.5
76.15112	1.6
77.54863	1.5
79.05494	17.8
81.07063	60.7
83.08615	11.2
91.05475	13.7
92.51876	1.5
93.07046	31.4
95.04963	1.6
95.08610	95.3
97.06498	1.9
97.10191	8.3
105.07037	25.4
107.08598	52.5
109.06503	2.9
109.10160	56.3
111.08071	2.9
111.11728	3.2
114.94396	1.8
117.06992	3.9
119.08585	100.0
121.10148	46.8
123.08026	1.7
123.11720	29.6
125.09675	2.6
128.06169	1.6
129.07016	2.9
131.08549	14.3
133.10135	29.8
135.11690	37.1
137.13257	25.8
139.07574	3.4
143.08560	5.5
145.09041	2.9
145.10130	47.1
147.11711	23.3
149.13272	15.4
157.10202	7.9
159.08064	2.7
159.11702	27.6
161.13261	19.9
163.07542	16.3
163.14838	25.0
165.08972	1.7
168.33914	1.6
169.10138	2.6
171.11710	9.4
173.13254	23.8
175.14833	14.6
177.09146	2.7
177.16393	11.3
179.14249	3.0
179.17976	3.8
183.11723	2.5
185.13242	6.7
187.14833	48.3
189.16388	23.9
191.17950	70.1
197.13333	2.8
199.14795	10.4
201.16391	34.9
203.17973	36.0
205.19519	8.5
207.17432	2.0
211.14714	3.7
213.16391	24.2
215.14333	4.1
215.17979	7.4
217.19556	9.2
219.17432	3.7
221.18846	3.0
227.17938	4.4
229.15858	7.1
229.19405	9.0
231.17494	3.5
231.21138	3.2
233.15381	6.6
241.19591	3.2
243.21066	3.4
245.15393	4.6
245.22620	1.9
247.16933	18.5
255.21335	2.5
257.15399	4.7
257.22400	1.8
259.16959	8.7
261.18417	2.1
269.22620	2.8
271.20779	1.6
275.16367	6.7
275.19943	1.6
277.17990	3.5
301.21567	2.6
315.23087	4.0
391.33505	13.4
409.29605	2.3
409.34650	37.2
433.71945	1.6
437.34180	53.0
455.35205	31.7
472.76248	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05513	14.9
57.07065	7.7
64.49630	2.2
67.05505	20.5
69.07060	18.4
70.40293	5.1
70.40688	5.4
71.08646	3.0
77.03921	2.6
79.05497	13.3
79.27963	2.1
81.07059	48.5
83.08621	12.0
87.53144	2.4
91.05473	19.2
93.07047	35.8
95.04990	4.2
95.08612	91.5
97.10184	6.1
105.07046	33.2
107.08599	57.4
109.06518	3.2
109.10172	51.3
110.81870	2.5
113.13881	2.4
117.07013	5.9
119.08583	100.0
121.10150	53.5
123.11723	27.0
125.26249	2.5
126.22813	2.2
131.08586	13.8
133.10132	40.1
135.08041	2.8
135.11702	46.1
137.13271	20.7
139.07489	2.8
143.08530	4.9
145.06551	3.0
145.10132	41.9
147.11707	27.4
149.13232	16.5
151.07555	7.3
157.10135	11.6
158.10851	2.9
159.08122	2.4
159.11688	29.5
161.13266	25.2
163.07564	13.4
163.14851	26.8
171.11697	6.6
173.09648	5.8
173.13263	29.0
175.14825	17.2
177.16406	9.0
179.14378	3.1
179.17842	3.9
185.13252	10.7
187.13168	3.7
187.14825	49.4
189.16412	27.4
191.17952	81.2
192.18271	3.0
197.13234	2.9
199.14815	10.8
201.12697	2.5
201.16379	42.0
203.17952	36.1
205.19527	5.9
207.17415	5.7
211.14862	2.7
213.16402	13.5
215.14380	5.6
215.17931	7.2
217.19511	15.3
219.17587	3.8
227.17972	4.8
228.19519	3.4
229.15967	10.1
229.19507	7.4
231.21185	3.5
233.15309	7.6
243.20963	2.8
245.15359	4.8
247.16960	21.5
259.16934	9.0
261.18433	3.4
275.19989	3.6
391.33569	24.3
409.34689	47.3
425.33990	9.7
437.29056	3.7
437.34293	59.7
455.35764	46.9
456.46243	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.4
57.07057	0.9
58.36869	0.6
59.29020	0.6
59.35924	0.5
63.07040	0.6
65.03941	0.6
67.05504	3.9
69.07069	4.8
69.86076	2.7
77.96210	0.6
79.05500	5.8
81.07058	9.0
81.16549	0.5
83.08630	4.2
91.05478	3.2
93.07058	10.8
95.08614	24.4
97.06535	0.7
97.10182	1.1
105.07032	8.7
107.08602	33.7
109.06509	1.0
109.09458	1.0
109.10160	12.6
110.00965	0.6
111.08070	0.6
117.07014	1.6
119.08589	17.1
121.06470	0.8
121.10157	20.7
121.11029	1.1
123.08041	0.8
123.11697	3.9
129.07024	0.7
131.08560	3.7
133.10141	17.9
135.08144	0.7
135.11699	9.4
137.13261	0.7
140.17883	0.6
143.08524	0.9
145.10118	8.8
147.11710	7.2
149.09579	0.7
149.13255	6.1
153.09097	1.3
157.10110	1.0
159.11705	5.3
161.13281	7.5
163.11198	13.8
163.14821	4.0
167.10628	1.3
171.11702	1.3
172.12566	0.6
173.13274	2.7
175.11072	0.6
175.14844	14.0
177.12820	0.7
177.16394	22.5
183.50691	0.6
185.13411	0.6
187.14835	11.2
189.12807	0.7
189.16365	11.2
191.14297	0.8
191.17932	3.1
199.14760	0.6
201.16443	2.9
203.16031	0.8
203.17978	22.4
205.15889	100.0
205.19550	3.3
207.17436	2.5
213.16333	0.9
215.17992	3.4
217.15938	1.1
217.19577	1.3
219.17435	1.5
221.19035	1.1
227.17900	0.8
227.93390	0.6
229.19536	1.0
231.17477	1.3
235.16931	1.1
249.18523	5.8
261.18494	0.8
285.25766	2.5
295.24261	3.8
313.25269	7.0
339.26837	0.7
391.33368	2.0
409.34689	36.4
410.35001	0.8
437.34091	5.8
455.35455	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
50.94202	1.5
53.03936	3.2
54.57537	1.3
55.05514	14.6
57.07072	4.2
65.03946	1.6
67.05181	2.0
67.05509	25.7
69.07066	23.8
69.78671	4.5
69.79075	2.7
71.08604	1.5
74.05770	1.4
79.05489	22.2
81.07058	59.1
83.05006	1.7
83.08623	11.0
91.05484	24.6
91.68938	1.6
93.06477	3.2
93.07050	54.1
95.04974	2.5
95.08611	100.0
97.06532	2.2
97.10165	6.1
97.35112	1.7
105.07036	66.3
107.08600	68.9
109.06512	9.3
109.10160	54.3
109.10931	2.2
111.08089	94.4
111.11668	2.5
113.09660	1.5
117.07024	7.9
119.08589	82.4
121.06468	2.1
121.10152	63.5
123.08051	3.4
123.11726	17.0
125.09597	4.3
130.07794	3.2
131.08577	21.7
133.06577	1.5
133.10138	67.9
135.11699	30.0
137.05922	1.5
137.09576	1.5
137.13211	4.2
139.11194	9.9
142.07791	2.7
143.08553	4.2
144.09251	3.1
144.69203	1.7
145.10127	40.4
147.11697	61.5
149.09642	1.7
149.13272	52.6
151.11223	2.4
153.09088	6.0
157.10181	8.4
159.11696	35.7
160.12462	1.7
161.09668	2.0
161.13258	53.7
163.11172	3.6
163.14842	39.0
165.09026	2.3
165.12823	1.8
165.16379	1.8
167.10674	3.4
171.11703	6.0
173.13277	27.7
175.14836	37.7
177.05528	1.5
177.16389	46.1
179.10551	1.7
185.13269	6.4
187.14844	27.2
189.16394	93.8
191.14305	2.3
191.17957	21.0
193.12204	3.0
193.15932	1.6
195.17456	2.9
199.14844	8.1
201.16386	56.9
203.14349	2.7
203.17961	81.7
205.15926	11.2
205.19531	10.2
207.17459	22.7
213.16432	9.1
215.17972	24.2
217.12265	1.5
217.15894	4.2
217.19470	5.2
219.17410	16.9
221.15402	1.8
221.19038	8.6
227.17950	4.0
229.15953	1.8
229.19466	7.2
231.17380	7.1
231.21118	3.1
233.19061	9.1
235.16974	9.3
241.19478	5.0
243.21042	5.6
245.19179	1.9
245.22707	3.5
247.16872	8.2
247.20746	2.8
249.18513	13.9
255.21170	3.6
257.22739	1.6
259.17026	1.7
261.18567	4.3
261.22037	2.9
269.22745	2.5
273.22208	1.8
275.20215	1.7
281.22452	2.0
301.21649	2.3
314.13083	1.5
335.27383	1.7
343.26266	2.2
351.30380	5.9
391.29288	1.8
391.33688	12.2
397.31027	8.7
407.33185	1.7
409.34674	72.4
411.36426	2.9
419.33179	2.7
425.34222	11.6
427.35687	2.2
437.34241	52.8
455.35547	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	455.3525
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03953	4.3
55.05514	17.0
57.07070	5.6
63.52191	2.5
67.05515	21.1
69.06781	2.4
69.07079	27.8
69.20744	29.0
71.33624	2.3
73.41544	2.6
79.05502	19.7
81.07058	60.3
83.08626	12.4
91.05495	25.6
93.06470	4.3
93.07047	58.7
95.08615	96.7
96.14963	2.5
97.10175	5.7
99.08082	11.8
105.07031	66.1
107.08595	78.5
109.06525	6.3
109.09460	4.9
109.10159	59.4
111.08096	38.7
117.07020	6.9
119.08588	92.7
121.06507	10.2
121.10155	68.4
123.11716	20.1
124.95704	3.1
131.08575	37.6
133.10139	74.7
135.11700	46.2
137.05992	2.8
137.13255	10.1
139.07581	2.6
139.11200	6.2
143.08597	6.5
145.10130	58.0
147.11697	68.0
149.09709	2.8
149.13263	41.3
151.11172	4.0
153.09088	4.6
157.10110	13.5
159.11710	50.6
161.09615	2.9
161.13277	41.4
163.14835	35.5
165.09007	4.5
169.10152	3.2
171.11670	5.1
173.13264	33.8
174.13857	2.6
175.14836	28.6
177.05470	4.2
177.08995	2.8
177.16408	31.8
179.14343	6.9
182.07243	2.8
183.11734	5.0
185.13252	5.9
186.14018	5.3
187.11290	3.7
187.14822	41.1
189.16396	62.2
191.14270	5.6
191.17964	92.0
199.14810	11.4
201.16403	100.0
203.14435	3.6
203.17967	66.4
205.15866	10.0
205.19548	8.7
207.17465	12.0
213.16391	11.6
215.17961	25.6
217.15935	3.9
217.19429	14.5
219.17426	21.2
221.15305	3.3
221.19058	3.6
227.17986	6.3
229.15889	5.2
229.19511	32.2
231.17557	4.6
231.21059	3.2
233.19102	4.3
241.19489	6.1
243.21059	5.8
246.36047	3.1
247.17006	15.0
247.20610	9.4
249.18463	3.5
255.20914	5.5
261.18576	3.9
283.24292	3.6
337.29428	2.6
343.26004	2.8
391.33588	10.7
397.31094	5.6
409.34729	57.9
411.36316	3.1
437.34238	49.6
455.35519	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Eucalyptanoic acid
Peak:m/z	Relative Intensity
53.34934	2.5
55.05499	11.4
57.07069	4.5
62.08930	2.5
66.92197	3.1
67.05515	24.1
69.07069	16.1
71.40835	6.0
74.00623	2.6
79.05493	18.3
81.07062	58.2
83.08619	11.1
91.05489	21.7
93.07047	48.1
95.08613	100.0
97.10149	8.3
105.07043	50.0
107.08601	82.9
107.09733	2.8
109.06502	5.3
109.10162	50.4
111.08090	48.4
117.06998	5.3
119.08585	74.1
121.10147	68.8
123.11709	20.0
125.09615	4.6
128.37306	2.8
131.08601	17.8
133.10133	52.8
135.11697	30.8
137.09610	2.9
137.13289	4.0
139.11157	7.1
143.08562	8.8
145.10138	40.8
147.11697	45.8
149.13283	45.7
153.09062	5.7
157.10080	8.2
159.11693	33.4
161.13290	35.3
163.14828	28.5
171.11658	7.8
173.13252	23.0
175.14845	29.8
177.09174	3.2
177.16383	44.2
179.14360	6.8
185.13271	8.1
187.14833	42.4
189.16402	69.6
191.17986	24.4
195.17427	3.9
199.14822	10.4
201.16403	43.0
203.17952	58.2
205.15912	39.4
205.19508	9.8
207.17444	26.7
213.16370	8.1
215.17921	34.0
217.15842	3.5
217.19495	9.5
219.17445	7.6
221.18918	14.7
227.17950	6.8
229.19553	6.7
231.17563	6.5
235.16985	3.8
241.19345	5.6
243.21143	5.2
247.16940	8.7
249.18521	9.5
255.21140	7.3
261.18573	11.5
261.22165	5.5
287.20242	4.7
289.21771	3.7
301.21732	5.5
313.25195	3.4
315.23300	6.3
337.28970	3.5
351.30569	4.3
391.33463	12.4
397.30927	5.4
409.29562	6.1
409.34659	81.1
425.34003	8.5
437.34357	43.1
455.35605	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	3-Oxoolean-12-en-27-oic acid
Peak:m/z	Relative Intensity
50.45093	2.1
53.03944	2.8
53.70620	2.2
55.05512	13.6
57.03443	3.6
57.07088	4.1
67.05508	26.3
69.07077	17.7
70.72512	6.0
76.02885	2.1
79.05489	18.8
81.07056	39.6
83.04948	2.4
83.08630	11.2
91.05475	15.3
92.70718	2.1
93.07053	37.9
95.08609	64.1
97.06586	3.1
97.10191	4.4
99.08088	2.9
105.07029	29.4
106.07354	2.7
107.08597	62.4
109.10162	35.6
111.08101	2.4
115.92302	2.2
117.07019	2.9
119.08578	47.7
120.96600	3.8
121.10146	49.5
122.23325	2.5
123.11685	11.6
125.09653	2.6
129.07004	2.7
131.08615	11.0
133.10141	43.9
135.11685	26.0
137.09656	3.1
137.13266	5.7
143.08563	4.8
145.10150	19.0
147.11696	29.8
149.09625	2.9
149.13246	26.7
149.19638	2.2
153.09106	3.2
157.10110	7.5
159.11661	15.9
161.09651	3.2
161.13246	19.9
163.11151	6.8
163.14873	24.7
167.10655	5.2
171.11711	5.8
173.13258	10.1
175.11243	3.3
175.14813	25.7
177.16402	33.6
185.13252	5.0
187.14838	21.3
189.12698	2.6
189.16382	43.2
191.14287	3.1
191.17918	13.2
199.14812	7.4
201.12675	2.3
201.16374	17.1
203.14528	2.9
203.17973	80.7
205.15887	64.8
205.19504	4.5
207.17427	10.4
211.14835	2.9
213.16418	6.2
215.17845	8.1
217.19547	3.1
218.40787	2.3
219.17421	4.4
229.19432	5.7
231.21088	3.2
235.16911	4.9
243.20872	2.4
247.16824	2.9
249.18549	10.1
302.20367	6.0
303.20206	3.3
335.25797	13.3
357.23917	3.7
381.35138	2.5
391.33527	8.9
409.34686	100.0
410.34598	3.7
419.33228	4.3
425.33939	4.6
437.34363	23.1
454.78369	5.5
455.21576	8.2
455.35547	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03952	2.3
55.05502	14.9
57.07077	4.9
65.03931	2.7
67.05503	21.4
69.07066	25.4
69.97992	6.1
69.98395	4.0
71.47652	2.0
77.64386	2.8
79.05480	18.4
79.99931	1.9
81.07059	73.3
82.07383	2.0
83.08628	13.0
84.36848	1.8
91.05480	19.9
93.07047	46.4
95.04957	4.6
95.08608	100.0
97.10162	7.1
97.92072	2.0
105.07033	31.5
107.08595	81.8
109.10158	51.5
111.08089	3.6
111.11707	5.2
117.06997	6.6
119.07793	3.5
119.08588	50.4
121.06538	2.7
121.10142	57.1
123.11720	22.9
129.07004	4.4
131.08571	19.8
133.10133	38.4
135.11696	37.0
137.09552	2.0
137.13251	17.7
139.11188	14.9
143.08569	7.7
145.10126	35.6
147.11678	37.0
149.09579	2.9
149.13258	49.6
151.11240	3.1
151.14822	5.5
153.09067	3.6
155.08589	2.3
157.10127	11.9
159.11710	23.5
161.13269	23.5
163.11200	1.9
163.14804	20.9
165.09099	3.1
165.16356	2.1
169.10028	3.4
171.11708	12.0
173.13281	19.5
174.13641	2.1
175.10988	2.1
175.14867	20.6
177.09056	4.1
177.16402	36.4
179.14310	6.8
183.11620	3.4
185.13275	8.9
187.14810	26.9
189.16379	37.9
191.17950	28.3
193.15848	3.3
195.17455	29.6
197.13219	3.2
197.72334	2.2
199.14735	11.9
201.16365	38.0
203.17960	35.7
205.15866	3.2
207.17413	5.5
211.14816	4.0
213.16379	20.3
214.17143	2.1
215.17975	20.1
217.19540	7.1
219.13931	3.0
219.17500	4.4
221.19055	7.3
225.16405	2.7
227.17973	5.9
229.15894	4.5
229.19518	7.6
230.99367	2.1
231.17496	3.3
231.21164	2.9
233.15399	2.5
235.16896	2.9
239.18010	4.7
241.19461	13.6
243.21056	7.8
247.16965	16.0
249.18413	2.4
253.19423	3.1
255.21068	7.9
259.16943	8.6
261.18475	3.6
267.21118	5.7
269.22672	6.7
275.20117	4.8
281.22430	2.8
285.18826	2.9
287.19980	5.6
295.23914	2.5
299.19952	2.3
301.21570	3.8
313.21494	5.9
362.01920	2.1
391.33447	18.3
395.29672	2.5
409.34711	45.9
419.33234	3.0
437.29062	1.6
437.34161	44.2
455.29053	3.1
455.35306	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	455.3525
Annotation	Eucalyptanoic acid
Peak:m/z	Relative Intensity
55.05510	16.4
56.76437	3.0
57.07056	5.2
57.54033	2.7
67.05508	29.7
69.07071	28.1
69.26678	25.7
71.05009	3.6
79.05498	16.0
81.07065	61.4
83.05018	3.0
83.08625	12.1
85.06541	3.7
91.05472	20.4
92.05785	2.9
93.07048	47.6
93.70884	2.9
95.04980	3.6
95.08620	85.0
97.06525	3.1
97.10148	5.1
99.08089	4.3
105.07042	42.4
107.08601	78.1
109.06512	8.0
109.10167	45.5
113.09682	3.2
117.07004	7.2
119.08589	77.3
121.06503	4.4
121.09308	4.9
121.10152	62.6
121.11020	3.6
123.08075	4.1
123.11717	18.9
125.09609	3.1
126.76649	3.1
129.06920	3.9
131.08604	14.8
133.10143	55.4
135.08043	5.7
135.11723	26.8
137.13287	7.2
145.10146	28.5
147.11703	50.4
149.13277	29.8
154.94193	5.2
156.63675	3.2
157.10120	7.0
159.11702	28.9
161.13301	30.5
163.11185	8.5
163.14832	68.1
165.12776	5.7
171.11652	5.0
172.95239	3.4
173.13303	18.6
175.14835	48.0
177.16400	43.9
185.13295	8.7
187.14819	26.5
189.12772	3.3
189.16400	97.9
190.13628	4.1
191.17976	17.6
193.15790	3.7
195.17422	4.1
197.13242	3.6
199.15005	4.2
201.16418	37.9
203.17973	100.0
205.15895	50.6
205.19644	4.6
207.17438	12.3
213.16403	6.4
215.17938	22.3
217.19589	5.1
219.17456	10.2
221.19061	3.7
225.16452	4.2
227.18056	6.9
229.19609	7.6
233.18956	3.5
235.16869	8.2
241.19551	7.2
243.21117	5.4
247.17023	7.4
249.18608	14.2
253.19702	3.3
255.21086	5.3
261.18527	4.3
266.94931	3.0
267.55624	3.3
283.28238	8.6
285.05374	3.4
313.25064	3.2
314.27972	3.8
391.29138	4.3
391.33612	28.9
409.34671	94.6
437.34225	43.1
450.40018	3.5
455.27695	16.8
455.35153	37.0
473.19888	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	455.3521
Annotation	Eucalyptanoic acid
Peak:m/z	Relative Intensity
55.05505	12.6
57.07070	5.4
63.62075	2.7
66.37981	2.6
67.05515	18.3
69.07066	20.1
69.52140	2.1
69.52435	17.9
74.05044	2.3
79.05501	9.8
81.07067	36.5
83.08620	10.0
91.05505	10.9
93.07048	25.6
95.08611	71.7
97.10181	6.6
105.07045	38.8
107.08601	53.0
107.70874	2.4
109.10152	32.0
111.08125	3.3
113.09649	2.5
117.07017	3.2
119.08580	59.6
121.10163	46.4
123.08018	4.3
123.11700	13.8
131.08575	13.6
133.10136	41.7
135.08087	5.8
135.11694	21.3
137.13216	3.2
143.08565	6.2
145.10150	21.3
147.11697	34.2
149.13286	27.0
151.11215	2.9
157.10199	4.9
159.11761	18.7
161.13268	21.5
163.14839	47.4
169.10207	5.5
171.11725	2.9
173.13300	8.2
175.11270	3.1
175.14821	38.8
177.16405	33.6
185.13277	2.8
187.14848	27.1
189.16402	67.4
190.13521	4.2
191.17960	12.7
193.16016	2.8
193.44231	2.6
197.13295	2.8
200.30910	2.6
201.16412	24.8
203.14267	5.1
203.17966	71.6
203.19737	4.6
205.15910	23.7
205.19504	5.8
207.17476	10.8
213.16461	7.2
213.60732	2.6
215.17841	13.7
217.19481	6.7
219.02545	3.0
219.17432	4.7
221.15053	2.9
221.19077	4.9
225.16408	4.6
227.17972	4.7
229.19559	4.2
229.50232	2.6
231.17509	5.0
233.18947	3.3
235.16975	6.1
239.18037	3.8
241.19496	5.4
243.21063	4.8
247.17058	4.2
249.18637	8.0
342.53760	2.7
391.33603	16.1
409.34634	68.8
419.33102	3.7
425.34073	3.9
437.34174	50.2
455.35300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03952	4.0
55.05497	15.7
57.07078	6.1
67.05504	22.5
69.07068	25.7
69.80618	6.5
69.81029	13.3
79.05486	14.3
81.07063	43.1
83.08630	24.5
91.05479	17.1
93.07053	38.5
95.08613	100.0
97.10165	6.1
105.07042	47.0
106.70364	3.7
107.08598	85.2
109.06475	4.1
109.10166	43.7
111.08078	5.3
113.09605	5.3
117.06999	6.0
119.08589	75.9
121.06558	4.1
121.10148	74.5
123.11704	20.0
125.09621	4.7
131.08534	14.1
133.09225	6.1
133.10141	62.9
135.08075	4.7
135.11696	33.8
137.09650	4.5
137.13266	5.0
144.09395	3.9
145.10143	31.9
147.11699	49.8
149.13261	35.5
153.09116	9.8
157.10158	7.3
159.11722	33.0
161.09502	4.1
161.13268	25.5
163.11177	11.6
163.14801	23.9
165.12883	4.4
171.11646	6.8
173.13240	12.3
175.14818	46.3
177.09160	3.9
177.16420	51.9
185.13234	5.4
187.14864	27.5
189.16389	75.4
191.18002	19.7
199.14774	4.9
201.16379	24.2
203.17967	71.1
205.15895	73.7
205.19511	10.8
207.17517	8.3
213.16359	10.0
215.18002	22.8
217.19560	6.5
219.17487	7.4
221.19040	4.8
227.17929	4.0
229.19481	7.8
233.18956	4.5
235.17023	7.5
247.16994	10.5
249.18581	18.9
255.21017	3.7
261.18491	11.5
267.21146	5.4
275.23373	3.4
295.24286	6.1
313.25146	9.7
343.26270	4.3
391.33844	17.5
409.29538	5.6
409.34695	79.8
411.32516	8.2
437.34250	53.1
455.35339	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	455.3526
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
55.05513	22.5
57.07060	5.7
57.43532	3.8
65.03932	4.6
67.05513	26.8
69.07079	31.3
70.83287	6.3
70.83604	6.1
71.66942	3.5
79.05499	19.1
81.07063	62.5
83.08617	11.8
83.62188	3.8
91.05489	24.5
93.07052	60.2
95.04963	3.5
95.08613	100.0
96.84341	3.5
97.02921	3.7
97.10174	6.4
105.06409	5.2
105.07044	68.5
107.08602	75.1
109.06505	7.8
109.10165	54.3
111.08086	91.1
117.07001	4.5
119.08595	94.1
121.06519	34.6
121.09299	7.4
121.10143	71.4
123.11700	18.7
125.09621	4.8
131.04979	4.8
131.08588	23.3
133.10138	70.4
135.11711	34.7
137.05986	8.1
137.13164	6.2
139.11192	10.0
143.08548	11.2
145.10118	50.4
147.04366	4.0
147.11707	67.1
149.13272	51.1
153.09091	6.0
157.10123	10.2
159.11731	47.9
161.13287	46.9
161.99414	3.8
163.11151	4.3
163.14865	32.8
165.09135	5.8
169.10117	4.2
171.11674	9.3
173.13251	35.0
175.14836	42.9
176.15175	3.9
177.05405	4.6
177.12706	5.0
177.16389	44.0
187.14865	40.1
187.16505	5.4
189.16393	90.8
191.18002	29.7
199.14941	5.6
201.16383	52.1
202.16574	4.1
203.17979	88.4
205.15834	18.6
205.19452	10.8
207.17441	29.9
213.16356	14.1
215.17937	18.5
217.19568	9.1
219.13924	4.5
219.17451	16.0
221.19020	11.1
229.19548	4.2
231.17445	9.2
234.90982	3.7
235.16907	10.7
241.19449	8.7
243.21112	9.1
245.22618	6.5
247.16930	11.5
249.18529	12.1
261.22055	4.5
265.19800	4.0
335.55826	3.8
351.30927	4.0
391.33496	14.2
397.30801	9.3
405.12433	4.3
409.34644	84.5
425.34277	8.2
437.34332	48.8
455.35400	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	456.1628
Annotation	Sch 38519
Peak:m/z	Relative Intensity
52.23352	0.6
53.03948	0.8
55.05502	1.1
59.37114	0.6
63.10554	0.5
65.85925	0.6
67.05498	0.7
69.07065	0.7
70.58041	1.9
79.05482	1.6
81.07055	2.2
82.07388	0.7
91.05492	4.4
93.07044	2.5
95.08590	3.5
103.05434	0.8
105.07015	1.3
106.07323	0.9
107.08588	2.2
109.10144	1.9
119.04972	1.9
119.08579	2.5
121.06506	18.8
121.10155	1.9
123.11731	1.1
133.10144	2.1
135.11678	1.1
137.05980	12.4
138.06374	3.6
139.06519	2.0
145.10106	1.5
147.11694	0.8
148.03900	0.7
157.66768	0.6
159.11661	1.1
161.13184	0.8
164.07066	0.9
166.04901	0.6
176.15184	0.7
179.05637	0.8
180.06544	2.8
187.14853	0.8
191.17993	1.5
192.18263	1.0
194.08156	3.9
201.16411	1.5
202.16763	0.8
203.06798	13.1
203.17973	0.6
205.15759	0.8
219.17305	0.8
220.17920	0.6
251.52432	0.8
254.10178	3.3
276.08447	72.1
277.09064	0.7
410.35016	1.1
456.16306	100.0
457.10907	0.8
457.16681	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	456.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
54.46786	0.4
55.01874	0.5
55.66417	0.4
57.03438	0.5
61.02928	0.8
61.76962	0.4
62.88646	0.4
65.03945	0.7
67.05164	0.8
67.05508	10.1
68.05031	1.3
69.03435	1.7
69.07074	2.4
70.06595	100.0
70.81136	1.0
71.04999	1.2
71.06935	0.8
73.02921	0.7
81.03416	1.3
81.07081	1.2
84.04507	0.7
84.08147	2.2
85.02902	3.0
86.09744	0.6
89.51529	0.4
90.05570	1.5
91.05485	0.5
91.74825	0.4
93.07063	1.1
94.06561	2.6
95.04971	13.0
97.02895	1.9
98.97565	0.6
103.05477	1.0
109.02914	1.2
112.07613	22.8
113.06037	1.1
114.05529	0.9
115.30418	0.5
121.06516	5.5
123.74342	0.5
124.07622	0.6
127.03948	2.0
130.08652	3.0
136.07603	1.2
145.05011	0.6
147.04454	1.7
148.04881	0.5
151.03966	0.8
154.08693	1.9
163.03922	0.9
165.05537	1.9
166.05876	1.2
167.05830	0.5
169.12305	0.7
172.09731	0.7
174.07742	0.5
178.08699	1.3
187.13297	2.2
214.10829	0.6
219.01796	0.5
220.09752	0.6
225.07771	0.6
232.11899	0.4
238.10834	3.2
250.95660	0.4
256.11810	4.4
274.12854	16.3
300.10867	1.6
318.11856	3.7
334.07358	0.4
351.90729	0.5
412.19644	11.4
456.18417	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	456.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61256	0.5
53.03947	3.6
55.05516	41.3
64.88127	0.6
67.05491	0.5
69.03408	0.5
69.69821	0.6
71.04996	0.7
71.56553	0.6
77.68865	0.5
79.05481	0.8
81.07045	0.7
83.08629	8.0
85.02875	0.7
88.07696	0.5
91.05490	7.6
93.07043	7.8
95.04993	2.8
95.08640	0.7
103.05474	7.3
105.04540	0.6
105.07072	0.9
106.74097	0.5
114.09175	0.8
117.05795	1.0
118.06538	1.7
119.08549	0.6
121.06515	53.8
122.06878	0.6
137.05992	0.7
144.04448	3.7
146.06004	5.5
162.05557	2.0
164.07103	1.3
172.03990	1.8
176.07050	4.4
178.08652	21.3
190.05022	2.3
204.06577	6.3
210.11317	0.9
210.58763	0.6
219.36400	0.6
222.07591	7.6
232.05798	1.5
236.09256	1.1
244.13358	0.6
254.10303	4.8
258.14938	3.8
260.16461	8.3
272.12906	1.5
273.22729	0.6
276.08499	3.3
276.12341	2.0
277.15604	1.0
286.14426	4.8
292.19037	1.6
304.15472	39.6
305.15750	0.6
318.17053	1.9
325.83569	0.5
336.17981	1.1
373.22620	0.6
395.81674	0.5
424.21204	2.6
456.23859	100.0
457.24203	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	456.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67984	0.4
53.03944	2.7
55.05515	45.6
69.03428	0.5
71.04993	0.7
71.57520	0.4
83.08622	10.3
85.02902	0.9
91.05489	5.5
93.07050	6.7
95.04949	1.4
103.05480	4.4
103.46487	0.5
105.04519	0.6
118.06578	0.9
121.06509	38.7
137.06023	0.5
137.10901	0.6
143.14000	0.4
144.04462	1.9
146.05986	5.1
162.05484	1.5
172.03931	1.1
176.07089	3.9
178.08640	16.5
190.04987	2.1
204.06532	4.9
210.11240	1.5
222.07597	8.3
236.09262	0.5
244.13391	0.8
258.14792	2.8
260.16522	5.2
263.52173	0.4
272.12851	1.4
276.08603	0.6
277.15723	0.5
286.14377	3.9
292.18985	0.6
304.15445	35.4
305.15878	0.6
318.17029	1.3
336.18213	0.8
374.16034	1.0
424.21152	3.7
456.23834	100.0
457.24094	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	456.281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83002	1.3
53.03949	5.5
53.04171	1.0
55.01878	1.7
55.05265	2.1
55.05516	37.4
56.96556	1.4
57.03193	1.7
57.03444	23.1
59.14506	1.1
61.02934	11.9
65.88918	1.2
67.05516	2.0
69.03079	1.8
69.03436	28.7
71.01357	2.8
71.05008	2.2
71.56902	1.3
73.02925	48.3
77.03972	1.2
81.03420	4.3
81.07064	1.8
83.08625	7.8
85.02911	85.4
87.04469	3.6
91.03966	4.6
91.05482	10.3
93.07048	13.7
95.04971	3.7
97.02901	47.0
99.04429	1.5
99.09541	1.2
103.03918	1.2
103.05477	7.8
107.08595	2.0
109.02880	6.6
109.06500	1.4
115.03941	28.3
115.57278	1.1
118.06538	3.0
121.06518	93.6
127.03928	24.2
132.06584	2.0
133.04984	8.4
133.10143	1.8
144.04465	7.3
145.04970	52.1
146.06027	14.9
150.07637	3.3
162.05504	3.9
163.03987	1.6
163.06027	18.8
172.03973	3.4
176.07059	10.8
178.08644	37.0
190.04980	2.9
203.14401	1.5
204.06613	12.9
210.11334	1.3
217.38371	1.1
222.07614	31.4
223.06133	3.3
241.07118	4.2
254.10411	2.2
259.08206	3.6
295.10165	2.3
304.15485	18.5
307.20941	2.1
374.16119	8.2
420.11221	1.2
424.21164	1.5
456.23880	100.0
457.24149	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	457.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66932	0.7
55.01871	1.0
56.96572	4.8
57.03430	2.0
58.99885	0.8
61.02915	1.5
68.98284	0.8
69.03430	7.0
70.06587	2.1
70.99857	0.7
71.04985	0.8
71.56847	0.7
73.02911	1.3
79.05495	1.7
81.03416	2.5
81.07058	4.8
82.99860	1.4
84.08129	1.5
84.96045	1.0
85.02908	14.7
86.09651	0.9
86.99333	1.5
87.04488	1.1
89.03932	1.5
91.03989	1.0
91.05489	4.4
93.07014	1.1
95.04996	1.2
97.02893	10.8
98.97589	12.7
99.04477	1.2
101.00883	10.3
103.02501	1.1
103.08946	0.8
106.26266	0.7
107.04957	2.1
109.02886	2.5
109.06538	3.7
110.97567	2.6
112.99126	0.9
113.00871	9.3
115.02438	3.1
116.98622	4.9
117.03392	1.3
118.01118	1.0
119.01910	14.3
119.04919	2.3
121.06512	7.3
123.05558	2.1
127.02415	2.9
127.03934	4.4
128.98613	2.3
129.03981	0.9
131.01910	19.6
131.68945	0.7
132.95844	0.9
133.01657	1.3
133.03458	4.5
134.99739	1.9
135.04422	5.3
136.06221	3.5
137.00905	0.8
137.03059	0.9
137.05980	29.9
138.01706	1.3
138.06332	1.6
143.00183	1.7
143.01894	10.6
144.02661	1.3
145.03482	12.8
145.04987	3.0
147.01370	1.7
147.04414	2.4
149.01187	1.5
149.03024	1.6
152.05690	1.2
155.01909	18.4
156.02689	5.3
157.03505	8.1
158.99666	4.3
161.01277	2.1
161.02982	11.2
161.06010	1.2
162.03061	1.1
163.02631	1.4
163.03876	20.0
164.04337	1.0
165.04056	1.8
169.03545	1.2
173.01465	0.8
173.02972	18.7
175.04604	3.7
177.00737	2.6
177.02353	0.8
177.04085	1.5
179.02101	1.5
179.05539	2.7
179.06982	0.8
181.03491	3.1
181.04962	1.3
183.01442	1.8
183.05083	2.8
184.02199	2.5
185.02971	5.4
187.02786	1.0
187.04550	2.6
191.02237	1.1
191.05544	1.3
194.04276	1.2
195.03387	1.7
195.05016	12.3
195.06654	1.0
197.02986	7.2
197.06653	2.9
199.04591	3.5
201.02425	2.4
203.02312	1.7
203.04024	10.4
205.03586	2.0
207.05086	4.9
209.03004	2.7
209.06653	1.9
211.02808	1.0
211.04555	3.1
213.04330	1.9
213.06125	8.3
215.04054	2.3
217.05699	1.0
217.08049	1.0
219.01794	3.0
219.03416	1.1
219.05177	5.3
221.03172	3.4
221.05032	39.9
222.05591	1.2
223.04588	7.5
223.06673	3.7
225.06107	9.6
226.05873	1.0
227.04120	1.7
229.05656	1.0
231.05077	3.7
233.03107	1.5
233.06587	3.6
235.04584	4.2
236.05362	0.9
237.02831	3.3
237.06110	29.1
239.04219	4.6
239.07727	3.1
241.05679	2.7
243.05157	1.0
243.07336	1.6
245.05037	1.6
247.04733	1.5
249.06088	31.6
251.03978	1.3
251.07730	6.2
253.05904	1.0
255.07230	14.2
261.06091	6.6
261.08325	0.9
263.07733	3.4
265.05350	1.1
265.07791	2.5
267.07135	11.9
268.07217	2.3
269.08569	2.5
273.06100	11.4
275.03946	1.7
275.07343	1.0
277.00195	1.2
277.07925	1.1
279.07214	10.7
280.07300	0.9
281.08688	0.9
283.46658	0.8
287.03860	0.8
291.07108	14.5
292.07422	1.0
293.10892	1.6
294.05875	1.5
295.06781	0.9
297.08414	1.4
298.08136	1.1
299.08737	1.5
303.05585	1.4
309.08221	2.3
321.08313	2.1
323.09756	7.5
324.09821	1.5
325.09366	0.9
327.09320	9.1
339.09317	65.0
340.09775	2.2
352.09711	0.8
355.07861	0.9
357.10355	100.0
358.10687	3.0
366.10947	0.8
369.07016	2.2
373.08157	2.4
380.12082	3.8
385.09979	1.4
391.07108	0.9
439.10950	1.5
457.11917	46.2
458.12274	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1321
Annotation	KN-92
Peak:m/z	Relative Intensity
54.04341	0.3
54.95736	0.3
57.03442	0.4
60.02385	0.4
61.23369	0.3
63.12463	0.3
69.03414	0.6
69.13574	0.3
70.06611	0.4
71.09084	0.6
85.02907	1.0
98.21479	0.4
98.97588	0.5
127.03695	0.7
131.04884	0.4
149.07813	0.3
149.61708	0.3
163.03969	0.5
208.01996	0.4
215.58054	0.3
310.05313	0.5
317.08414	0.8
325.08484	0.4
345.89240	0.3
457.13187	100.0
458.13446	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1475
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
55.05499	1.4
57.07068	1.0
67.05516	2.3
69.03411	3.5
69.07060	1.7
71.56957	1.3
71.57348	1.8
72.04504	2.1
72.08183	2.2
75.36590	1.2
79.05483	1.4
81.03410	1.1
81.07040	3.3
85.02901	2.1
85.06551	1.3
90.93266	0.9
91.05497	3.5
91.53812	1.0
93.07032	3.0
95.08602	1.4
98.21325	1.1
98.97565	1.1
99.31761	1.1
104.87157	1.0
105.07008	3.8
105.39552	1.2
107.04989	1.2
107.08595	7.7
109.06554	1.8
109.10165	2.8
114.09168	3.2
114.10300	7.0
121.06487	5.1
121.10178	5.2
122.07288	1.8
131.08615	1.4
133.10143	45.1
135.08054	4.1
137.09633	26.1
149.09630	1.4
149.13272	3.9
151.03889	1.0
151.11172	1.6
151.29733	1.3
163.14870	1.6
173.13281	2.2
191.14326	28.7
209.15427	3.9
249.64635	1.0
277.15497	6.6
306.13507	1.6
357.91907	1.0
371.13623	1.3
389.15045	2.4
413.15741	5.9
442.00034	1.1
457.14737	100.0
457.24579	2.6
458.22009	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29475	0.2
53.03955	0.2
55.05505	0.5
56.96554	0.2
62.27713	0.2
65.03939	0.2
67.05508	0.9
69.03442	0.3
69.07078	0.9
70.28872	0.5
71.04995	0.3
79.05505	0.4
80.51328	0.2
81.03443	0.3
81.07069	1.1
83.08624	0.2
85.02896	0.3
91.05480	3.5
93.07051	2.5
95.04967	0.5
95.08598	1.0
97.02907	0.3
97.06544	0.2
103.05480	1.1
104.04998	0.2
105.07027	0.7
106.06545	0.5
107.08601	1.0
109.06526	0.3
109.10146	0.8
114.09179	0.2
115.05459	3.2
117.03420	0.2
117.05754	0.7
117.07014	3.2
118.06548	50.4
119.06869	0.4
119.08550	0.9
121.06510	10.9
121.10122	0.5
122.06047	0.4
129.07057	0.2
130.06523	0.7
131.08583	0.4
132.08116	0.8
133.10115	0.6
135.08084	0.2
142.06532	4.1
142.07635	0.3
143.07324	5.3
143.08459	0.2
144.04446	1.1
144.08092	22.2
145.06523	0.5
145.10109	0.3
146.06013	92.9
147.04417	0.3
147.06360	0.7
147.11681	0.3
149.09598	0.3
149.13309	0.3
150.05511	22.6
151.11246	0.4
155.06059	0.5
157.10083	0.2
159.11673	0.2
159.86803	0.2
160.07597	1.2
163.03943	0.5
164.07062	1.2
165.09108	0.9
169.07594	0.5
170.06017	8.2
177.09117	0.2
188.07071	100.0
189.07426	1.1
189.16382	0.2
190.04993	1.0
191.17888	0.2
204.07896	0.3
208.06068	2.2
218.09732	0.3
219.09964	0.2
231.13893	0.2
245.11061	0.3
247.12283	0.3
265.09756	0.4
270.11255	20.0
271.11261	0.2
273.10214	0.3
277.15479	0.3
278.13831	1.5
291.11279	2.3
293.12863	0.5
328.11871	0.8
335.10217	0.3
337.11801	3.6
384.18079	0.3
457.17603	19.8
458.17947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05500	1.1
59.61376	0.9
67.05492	3.5
69.03440	5.7
69.07053	1.1
73.83624	0.9
77.03941	1.3
79.05500	4.2
81.03433	2.9
81.07059	5.4
83.04992	1.8
84.56952	1.2
85.02931	2.3
87.00838	1.1
87.04485	1.4
89.03955	1.0
91.05495	4.8
93.07052	2.7
95.04974	2.2
97.02895	1.2
98.21286	4.9
104.07089	1.6
105.01858	1.6
105.07030	5.2
107.04948	6.6
107.08606	19.0
109.02859	1.1
109.06513	2.5
109.10165	4.1
114.10330	2.2
115.05491	1.1
117.06990	1.5
119.08622	1.5
121.06525	3.6
121.10167	8.6
122.07288	3.5
122.81028	0.9
123.04421	1.0
127.03939	2.5
131.08601	2.2
133.10141	100.0
135.04388	1.1
135.08044	6.4
137.09627	56.4
145.02950	1.2
145.10133	1.3
147.11655	2.2
149.13240	9.2
151.03912	27.2
163.03938	8.5
163.14793	2.4
173.13263	5.3
182.02582	1.0
191.14319	56.3
206.98019	1.0
209.15419	3.0
307.08163	2.7
314.55280	0.9
314.61896	1.2
457.10495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08637	0.7
53.03954	1.2
55.01859	1.1
55.05507	3.3
56.06609	0.7
57.07083	1.8
61.02922	1.0
62.22350	0.7
63.40318	0.9
63.43441	0.8
67.05514	6.1
68.44819	0.7
68.99776	1.1
69.03432	12.4
69.07076	7.1
69.43144	6.4
69.43542	1.6
71.05009	4.0
79.05477	4.3
81.03431	4.9
81.07065	9.7
83.04994	11.0
83.08623	2.0
85.02916	7.6
87.00830	3.7
91.05478	4.3
93.07055	8.2
94.50433	0.9
95.04971	3.5
95.08617	19.2
97.02902	4.0
97.06555	4.0
99.04440	1.7
99.08101	3.9
105.01895	1.9
105.07044	6.6
107.04977	1.6
107.08601	36.6
109.02880	3.0
109.06540	8.1
109.09444	1.7
109.10162	19.3
111.08089	1.5
113.09673	0.9
114.10299	1.7
119.08582	3.9
121.06499	4.7
121.10152	35.2
121.11037	1.9
122.07254	1.7
123.08089	4.5
123.11687	3.0
125.09631	14.2
127.03942	4.9
130.30873	0.9
131.07713	0.8
131.08572	5.5
131.09390	0.8
133.07603	1.1
133.10136	34.8
135.08057	13.4
135.11708	4.3
137.08656	1.5
137.09633	21.3
139.11198	5.3
143.08458	1.4
145.10144	3.1
147.11696	8.1
148.08833	1.3
149.09625	11.7
149.13269	22.5
151.11194	84.5
152.11554	1.5
153.09100	1.5
158.10904	3.0
159.02881	1.6
163.14825	14.9
165.12794	7.2
167.10718	1.5
173.13295	16.9
191.14322	100.0
209.15384	94.2
231.05040	1.2
335.37225	1.0
347.20648	0.8
457.15897	1.4
457.21640	4.6
458.21744	1.6
465.39319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05502	3.6
57.03438	1.6
65.03927	1.7
65.11267	1.0
65.80618	1.1
67.05527	5.1
69.03442	11.3
69.07066	8.7
69.84661	5.5
70.25121	1.2
71.04988	4.1
79.05488	4.4
81.03408	5.5
81.07063	12.1
83.04591	1.2
83.04990	10.5
83.08614	3.3
85.02921	8.0
87.00829	5.0
91.05487	5.5
91.90261	1.1
93.07052	7.9
95.04967	3.2
95.08615	18.1
97.02881	2.3
97.06536	2.9
99.04420	1.5
99.08085	4.9
105.01852	1.3
105.07056	6.1
107.04940	2.3
107.08606	34.0
109.02879	3.1
109.06535	9.2
109.10164	18.9
111.08060	1.9
119.08586	4.6
121.06535	5.3
121.09321	2.2
121.10157	36.3
122.07287	1.0
123.08075	4.9
123.11694	3.0
125.09654	11.9
127.03934	4.4
131.08578	4.9
133.10143	34.0
135.08081	13.6
135.11699	3.3
137.08650	2.2
137.09627	23.6
139.11206	5.0
145.04921	2.2
145.10107	2.8
147.11710	10.5
149.09653	9.0
149.13269	24.3
151.11197	84.2
153.09117	3.2
158.10916	3.0
159.03012	1.1
163.14830	15.0
165.12753	6.3
167.95926	1.2
173.13295	16.9
191.14330	91.7
192.14819	1.2
209.15382	100.0
235.93362	1.1
250.59515	1.2
288.36203	1.5
452.67432	1.1
457.21906	3.5
458.21912	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01875	2.2
65.54211	0.8
69.03418	2.8
69.07071	13.0
69.41882	4.0
69.42302	2.7
71.88168	0.7
79.05491	0.8
81.03420	2.7
83.04965	1.6
85.02890	2.7
87.00828	1.5
91.05494	4.1
93.07052	12.0
95.08597	1.3
99.04424	0.9
101.99248	0.9
105.07024	2.4
107.08609	8.7
109.02860	2.0
117.07014	1.0
119.08596	2.7
121.06510	11.1
121.10136	6.3
123.08074	1.3
127.03903	2.2
131.08575	3.1
133.10138	4.6
135.08067	5.0
135.11682	3.2
137.09689	0.8
145.10106	2.1
147.11707	30.3
149.09639	3.3
149.13264	5.1
161.09648	4.3
163.14803	1.2
173.13332	7.0
176.12018	2.0
191.14320	100.0
247.79308	1.1
428.21954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01887	2.7
55.05519	13.2
56.96582	12.5
57.03446	16.9
57.07073	10.5
59.05001	4.3
67.05510	17.2
69.03069	4.2
69.03435	59.5
69.07079	21.2
69.53555	2.3
70.03795	2.4
70.55784	5.5
70.56176	5.1
71.08635	5.6
73.02922	7.1
79.05498	10.3
81.03427	5.2
81.07063	27.8
83.04983	5.1
83.08630	10.8
84.96045	6.0
85.02913	35.4
85.06565	4.2
87.04473	31.4
89.03945	6.2
91.05475	19.2
92.05785	2.7
93.07059	25.3
94.07346	2.6
95.04990	5.9
95.08617	33.1
96.08971	2.7
97.02901	100.0
97.06541	3.8
97.10166	11.3
98.97602	37.6
99.08107	3.7
103.05489	4.0
105.07047	19.6
107.04954	3.5
107.08598	40.2
109.06499	3.7
109.10165	18.2
110.97591	7.5
111.08105	4.3
112.02324	3.0
115.03944	26.5
116.98624	12.2
117.03400	5.8
119.04964	8.8
119.08592	29.0
119.12109	2.6
121.06519	46.3
121.10143	25.1
121.10920	3.3
122.06836	21.6
123.11719	10.7
124.99120	2.8
125.09642	7.6
128.98593	6.7
129.07042	5.2
131.08591	8.5
133.02861	33.4
133.04982	14.3
133.10149	20.7
134.99617	3.0
135.04448	10.4
135.08073	5.2
135.11685	13.4
137.05984	15.6
137.09618	5.6
137.13307	5.8
143.00188	6.5
143.08582	4.0
145.02863	10.1
145.04898	2.5
145.10147	10.2
146.99724	3.6
147.04431	6.5
147.08063	2.4
147.11667	13.1
149.05975	8.8
149.09634	4.7
149.13275	8.4
150.06750	2.5
151.07558	4.5
154.31297	2.5
157.10139	4.4
158.99663	11.1
159.11658	11.2
161.01237	6.2
161.09625	3.7
161.13318	9.5
163.03918	59.4
163.05229	4.4
163.07555	7.3
163.11209	3.5
163.14832	4.8
165.05507	4.2
165.09143	22.6
169.10114	4.8
170.99696	8.4
171.11618	2.9
173.09674	3.4
173.13269	12.6
175.03931	11.7
175.07607	5.3
175.14839	8.2
177.00760	7.3
177.05489	9.1
177.12772	3.3
177.16403	3.0
180.06659	4.8
182.89096	2.3
182.99615	3.1
185.13312	7.5
187.14847	8.1
189.00723	6.5
189.12807	4.7
189.16383	7.5
191.17986	6.5
197.13300	4.3
199.14844	3.6
201.00761	8.4
201.05482	5.5
201.16368	4.6
203.17952	5.8
207.17564	3.3
208.12297	2.5
213.16428	5.9
219.01787	21.8
229.19551	2.6
231.06674	3.8
235.14708	3.0
235.16939	3.0
237.02805	16.5
242.03299	3.3
244.15186	3.3
249.02806	8.3
253.19418	2.9
257.22888	3.9
265.08716	4.8
277.07138	4.2
291.03970	4.1
293.08102	4.2
301.16516	13.7
301.66846	4.0
307.09323	4.0
310.17227	38.9
310.67548	3.2
321.67911	3.9
321.75031	2.9
323.22394	3.1
325.10706	22.6
330.68414	5.7
331.17880	17.5
339.22305	3.9
341.23505	11.1
349.24197	3.3
355.25137	2.4
367.25262	6.2
385.26669	8.4
391.19952	32.2
391.70023	3.9
412.20526	4.4
439.31540	5.0
457.11160	4.9
457.16476	4.7
457.21924	41.5
457.27795	16.3
457.33261	21.0
457.72321	7.4
469.28397	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	457.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01887	2.7
55.05519	13.2
56.96582	12.5
57.03446	16.9
57.07073	10.5
59.05001	4.3
67.05510	17.2
69.03069	4.2
69.03435	59.5
69.07079	21.2
69.53555	2.3
70.03795	2.4
70.55784	5.5
70.56176	5.1
71.08635	5.6
73.02922	7.1
79.05498	10.3
81.03427	5.2
81.07063	27.8
83.04983	5.1
83.08630	10.8
84.96045	6.0
85.02913	35.4
85.06565	4.2
87.04473	31.4
89.03945	6.2
91.05475	19.2
92.05785	2.7
93.07059	25.3
94.07346	2.6
95.04990	5.9
95.08617	33.1
96.08971	2.7
97.02901	100.0
97.06541	3.8
97.10166	11.3
98.97602	37.6
99.08107	3.7
103.05489	4.0
105.07047	19.6
107.04954	3.5
107.08598	40.2
109.06499	3.7
109.10165	18.2
110.97591	7.5
111.08105	4.3
112.02324	3.0
115.03944	26.5
116.98624	12.2
117.03400	5.8
119.04964	8.8
119.08592	29.0
119.12109	2.6
121.06519	46.3
121.10143	25.1
121.10920	3.3
122.06836	21.6
123.11719	10.7
124.99120	2.8
125.09642	7.6
128.98593	6.7
129.07042	5.2
131.08591	8.5
133.02861	33.4
133.04982	14.3
133.10149	20.7
134.99617	3.0
135.04448	10.4
135.08073	5.2
135.11685	13.4
137.05984	15.6
137.09618	5.6
137.13307	5.8
143.00188	6.5
143.08582	4.0
145.02863	10.1
145.04898	2.5
145.10147	10.2
146.99724	3.6
147.04431	6.5
147.08063	2.4
147.11667	13.1
149.05975	8.8
149.09634	4.7
149.13275	8.4
150.06750	2.5
151.07558	4.5
154.31297	2.5
157.10139	4.4
158.99663	11.1
159.11658	11.2
161.01237	6.2
161.09625	3.7
161.13318	9.5
163.03918	59.4
163.05229	4.4
163.07555	7.3
163.11209	3.5
163.14832	4.8
165.05507	4.2
165.09143	22.6
169.10114	4.8
170.99696	8.4
171.11618	2.9
173.09674	3.4
173.13269	12.6
175.03931	11.7
175.07607	5.3
175.14839	8.2
177.00760	7.3
177.05489	9.1
177.12772	3.3
177.16403	3.0
180.06659	4.8
182.89096	2.3
182.99615	3.1
185.13312	7.5
187.14847	8.1
189.00723	6.5
189.12807	4.7
189.16383	7.5
191.17986	6.5
197.13300	4.3
199.14844	3.6
201.00761	8.4
201.05482	5.5
201.16368	4.6
203.17952	5.8
207.17564	3.3
208.12297	2.5
213.16428	5.9
219.01787	21.8
229.19551	2.6
231.06674	3.8
235.14708	3.0
235.16939	3.0
237.02805	16.5
242.03299	3.3
244.15186	3.3
249.02806	8.3
253.19418	2.9
257.22888	3.9
265.08716	4.8
277.07138	4.2
291.03970	4.1
293.08102	4.2
301.16516	13.7
301.66846	4.0
307.09323	4.0
310.17227	38.9
310.67548	3.2
321.67911	3.9
321.75031	2.9
323.22394	3.1
325.10706	22.6
330.68414	5.7
331.17880	17.5
339.22305	3.9
341.23505	11.1
349.24197	3.3
355.25137	2.4
367.25262	6.2
385.26669	8.4
391.19952	32.2
391.70023	3.9
412.20526	4.4
439.31540	5.0
457.11160	4.9
457.16476	4.7
457.21924	41.5
457.27795	16.3
457.33261	21.0
457.72321	7.4
469.28397	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	457.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05511	1.5
57.59803	0.4
60.04525	3.7
69.07072	0.6
69.35899	0.4
69.69221	1.9
70.06624	0.4
72.04522	18.0
72.08160	25.0
79.05508	0.4
91.05479	1.3
93.07035	1.5
95.04968	0.8
95.08585	0.6
97.02880	0.5
103.05453	1.0
109.10187	0.6
114.09174	73.1
121.06516	12.0
121.10180	0.5
122.06828	0.6
133.10124	0.7
135.11629	0.5
146.06053	0.5
150.05563	1.0
158.79803	0.4
163.03906	0.6
163.06297	0.4
164.07071	12.0
165.08015	0.5
165.09299	0.4
166.08670	0.6
177.74832	0.4
178.08679	0.5
182.08046	0.5
188.07068	0.5
232.09531	1.2
233.09676	0.9
254.10219	0.7
255.10645	0.5
263.14001	3.4
276.08340	2.1
277.09372	2.7
277.15482	100.0
278.16025	2.3
307.95032	0.4
383.19672	19.7
395.16504	0.5
425.20889	1.3
431.28598	0.4
457.23917	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	457.2413
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
53.03960	0.3
54.45770	0.2
67.05492	0.3
69.03423	0.6
69.07071	0.4
69.53304	1.4
70.06594	3.4
79.05486	0.3
81.07072	0.3
84.08107	0.3
85.02914	0.6
86.09711	5.5
89.03926	0.7
91.05492	1.5
93.07046	0.7
95.08624	0.5
97.02909	4.9
97.03526	0.5
99.04408	0.3
103.05527	0.4
105.03406	0.3
107.04980	0.4
107.08597	0.3
108.50459	0.2
112.08709	0.3
112.09949	0.3
115.08768	0.2
117.03400	1.0
119.04968	1.1
121.06509	0.7
121.10117	0.3
124.07573	0.4
128.10733	0.9
133.02866	5.5
133.06546	0.3
135.04431	0.8
135.07993	0.3
136.07579	2.3
137.05977	2.0
145.02859	0.9
147.04410	1.0
149.05981	1.7
150.06776	0.7
152.07076	0.6
154.08655	0.6
156.11418	0.4
161.05960	0.5
163.03896	3.3
165.05545	0.9
167.03516	0.3
170.08141	0.7
172.10855	0.7
175.03940	2.4
175.07529	0.3
177.05507	1.9
177.06853	0.3
185.05843	0.2
201.03816	0.3
201.05518	1.0
203.03703	0.3
203.05301	1.6
203.06947	0.3
205.06586	0.4
205.09192	0.2
229.15440	2.0
233.06007	0.5
245.08136	0.5
249.05620	0.3
277.07300	0.4
277.17746	2.6
279.19354	1.1
293.08182	0.5
295.18863	0.9
307.09589	0.3
325.10733	2.5
332.28647	0.3
457.24155	100.0
458.24359	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2408
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
55.65480	0.4
57.03433	0.6
57.64697	0.4
69.03427	0.9
69.30136	3.8
70.06596	6.2
71.04983	0.5
72.08153	0.5
81.07044	0.6
84.04520	0.5
85.02908	1.4
86.09717	0.4
91.05466	1.5
93.07046	0.5
97.02905	4.0
98.21497	1.0
103.05487	0.5
105.06966	0.5
109.02900	0.9
112.07612	5.8
116.80170	0.5
117.03365	0.8
119.04960	0.8
121.06512	0.6
121.51135	0.4
122.94776	0.4
127.03963	0.5
128.04520	0.4
131.04921	1.2
133.02864	1.3
135.04414	1.3
137.05980	4.9
140.07051	3.2
145.02896	1.4
145.04854	0.4
147.04443	0.8
149.05989	0.6
158.08139	1.6
161.05968	0.6
163.03920	8.2
163.07585	0.9
167.03468	0.5
173.06091	0.4
175.07584	0.6
175.47108	0.5
177.05539	0.7
187.07401	0.6
201.03836	0.7
203.05281	1.6
207.06563	0.5
207.18076	0.4
211.07660	0.7
249.18388	1.1
277.07013	0.7
277.17612	2.2
279.19315	2.4
284.11322	1.7
293.08017	0.5
302.12354	0.9
325.10727	0.6
457.24097	100.0
458.24551	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.7
65.03909	0.4
69.03419	0.8
69.27177	0.5
70.06597	8.1
71.06922	1.9
71.58498	0.6
84.08144	0.6
85.02894	0.9
91.05479	1.1
93.07118	0.5
97.02898	2.7
107.04985	0.5
112.07614	6.2
113.07955	1.2
117.03389	0.8
121.06506	0.5
121.10143	0.7
131.04875	0.5
133.02852	0.4
135.04419	1.2
137.05988	2.3
140.07080	3.1
141.07411	1.6
145.02849	0.9
151.03900	0.4
163.03926	4.9
163.07596	0.8
170.28166	0.4
175.07597	0.5
177.05492	0.8
185.04364	0.4
187.07584	0.6
201.03767	0.9
203.05270	3.9
251.83011	0.5
277.07379	0.4
277.17764	4.1
279.19284	2.9
295.18884	0.9
335.62735	0.9
369.18198	0.5
387.19907	1.2
439.23453	1.1
457.24127	100.0
458.24570	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56279	1.5
55.05512	1.6
57.07064	5.4
65.97514	1.4
69.07063	9.3
70.88159	3.7
70.88508	2.5
71.08632	3.7
76.01794	1.4
79.05493	6.5
87.02681	2.3
91.05466	5.0
94.36065	1.6
99.92454	1.4
103.05463	5.8
105.07037	39.0
106.07805	4.4
107.08592	2.8
118.06518	1.5
119.08569	2.2
133.06500	27.5
134.07278	17.5
135.08063	61.4
143.07083	1.6
143.08858	2.2
151.07564	14.3
163.36938	1.6
164.06900	1.9
165.03732	31.1
167.05307	5.8
179.05309	10.5
182.96144	1.5
200.20078	3.3
201.20461	1.6
277.16217	21.0
283.26248	1.7
295.17310	100.0
296.17490	2.5
390.19479	1.6
456.44241	3.3
457.35083	10.7
457.44308	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2939
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
53.03937	0.8
55.01867	0.5
55.05516	2.2
57.03420	0.6
57.07083	0.6
61.98980	0.4
65.24776	0.4
66.45625	0.4
67.05508	3.0
69.07077	2.1
70.57732	0.8
79.05485	2.6
81.07057	4.8
81.98076	0.4
83.04991	0.6
83.08611	0.8
85.06522	0.9
91.05480	3.8
93.07042	5.3
94.07377	0.4
95.04976	0.6
95.08603	6.6
96.08943	0.7
97.06536	0.5
98.98466	4.2
103.05453	1.3
105.04512	0.5
105.07029	3.5
107.08593	4.9
108.08886	0.5
109.06480	0.5
109.10169	2.9
110.10446	0.4
117.07020	1.3
119.08598	4.5
120.08943	0.9
121.06506	8.7
121.10165	3.0
122.10479	0.8
123.08069	0.6
123.11729	1.1
129.07048	0.6
131.08582	3.1
133.10141	3.4
134.10513	0.5
135.08047	1.0
135.11664	3.5
137.09653	0.4
140.99481	1.9
143.08553	0.8
145.10133	3.6
146.06018	0.5
147.11691	2.3
148.12067	0.6
149.09601	0.5
149.13246	1.6
154.94138	0.5
157.10133	1.0
159.11678	2.8
161.09552	0.4
161.13264	1.4
163.11296	0.5
163.14825	1.4
171.11664	1.1
173.02109	0.8
173.13268	2.0
175.11180	0.4
175.14909	1.0
177.16440	1.0
184.07410	0.6
185.13287	1.4
187.14839	2.5
188.15164	0.4
189.16382	1.6
190.16643	0.6
191.18024	0.6
192.18314	0.7
197.02066	1.9
199.14886	0.7
201.16443	1.8
203.17960	0.9
204.18292	0.7
207.17558	0.9
243.21172	0.7
255.21228	0.7
261.22073	0.8
267.21106	0.7
285.22119	2.2
303.23242	1.2
317.17865	0.5
341.24612	0.5
356.01904	0.7
359.25784	1.6
377.26730	0.8
409.34744	0.7
411.36014	1.2
439.22791	0.6
439.35641	2.6
453.16965	0.7
457.23984	3.6
457.29266	100.0
457.36328	5.0
458.29388	3.1
471.18094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.05516	14.4
57.07071	3.9
59.90447	2.3
67.05503	14.0
69.03403	2.1
69.07066	18.1
69.94253	9.1
71.04974	2.3
72.27697	2.2
73.14111	2.4
79.05495	12.2
81.07052	36.2
83.04955	3.4
83.08620	12.6
91.05511	11.0
93.07047	37.4
95.04951	2.5
95.08615	71.8
95.09225	3.5
97.06524	3.6
97.10162	5.2
98.20865	2.3
99.07953	2.3
105.07037	35.7
107.08606	57.9
109.06508	3.3
109.10159	40.8
110.40353	2.4
111.08105	5.2
117.07016	3.9
119.08591	58.4
121.06506	3.4
121.09316	3.9
121.10153	63.0
123.08063	6.9
123.11727	17.7
125.09689	3.3
131.08569	35.0
133.10127	38.2
135.08034	5.6
135.11702	34.1
137.13258	10.3
143.08522	7.6
145.10126	42.5
147.11705	24.9
149.09560	3.1
149.13275	15.5
151.11186	3.7
151.14786	4.8
153.09111	9.3
157.10155	16.3
158.10844	3.0
159.11708	24.8
161.13275	16.8
163.11263	2.4
163.14844	24.4
165.12735	3.6
167.10663	4.8
169.10185	4.2
171.11711	11.3
173.13275	18.7
175.14902	14.6
177.09126	2.9
177.16414	11.7
181.12262	3.4
183.11685	3.7
185.13219	7.2
187.14828	62.8
189.16399	31.9
191.17961	17.5
193.15762	3.5
197.13152	4.1
199.14774	8.6
201.16428	36.8
203.14355	3.3
203.17996	21.9
205.15926	9.9
205.19498	3.7
207.17436	9.4
209.15280	4.0
211.14745	3.5
213.16389	7.6
215.17918	10.6
217.15926	8.4
217.19501	5.8
219.17430	6.6
221.15337	3.1
221.18967	2.7
223.16989	4.7
225.16415	2.8
227.17958	6.8
229.19469	12.5
231.17451	3.4
231.21191	2.9
235.16954	11.6
237.18399	2.3
241.19528	8.1
243.21007	5.6
247.16972	5.6
249.18437	14.4
255.21083	9.9
263.20236	3.5
269.22574	5.4
275.19904	3.6
281.22549	2.5
287.19949	3.2
309.25659	2.9
315.23065	2.6
351.30334	4.9
375.30246	3.2
388.95700	2.6
393.31494	23.8
397.31122	10.6
409.34378	2.7
411.32501	100.0
415.68863	2.5
421.29953	3.3
421.35379	12.8
427.35736	5.5
439.30878	3.7
439.35623	11.9
457.37494	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.6
57.07068	1.2
67.05501	5.3
69.07073	4.9
69.43329	4.4
79.05508	5.2
81.07054	10.7
81.48319	0.8
83.04948	1.1
83.08618	2.4
85.06536	1.0
91.05475	5.6
93.07047	10.5
95.04949	1.1
95.08605	19.2
97.02856	0.9
97.06528	1.7
97.10136	1.2
99.08054	0.9
105.06388	1.2
105.07040	14.5
107.08594	17.8
109.06526	1.2
109.10156	10.0
111.08072	1.7
114.44412	0.7
117.07030	1.9
119.08584	19.5
120.08910	0.9
121.06475	0.8
121.10148	10.9
122.10420	0.9
123.08070	2.1
123.11712	6.5
125.14432	0.7
129.06993	1.7
131.08572	7.4
133.10138	14.3
135.08112	1.4
135.11693	20.4
137.13245	3.0
143.08589	3.9
145.10132	7.1
147.08015	1.9
147.11696	11.2
149.09615	1.0
149.13258	5.0
151.11195	2.3
155.08510	1.2
156.09340	2.7
157.10101	3.1
159.08067	2.1
159.11719	4.7
161.13292	6.1
163.14816	5.5
165.12834	0.9
169.10178	0.9
171.11700	10.9
173.09627	1.6
173.13281	6.3
175.11169	1.6
175.14853	4.2
177.12720	1.8
177.16374	2.6
183.11719	1.4
185.13228	2.1
187.11192	0.9
187.14821	3.4
189.12781	4.7
189.16379	29.4
191.14281	2.2
191.17957	5.3
195.11523	0.8
199.11127	2.7
199.14803	2.7
201.12689	1.5
201.16370	2.9
202.09923	1.6
203.14310	3.2
203.17976	5.0
205.15889	1.8
205.19504	0.9
207.17442	50.5
213.12759	7.1
213.16336	1.9
215.14258	1.8
215.17931	1.8
217.12245	100.0
217.19498	2.6
223.16972	0.8
227.14296	2.0
229.15865	1.4
229.19571	0.9
231.13834	9.6
231.17419	1.9
233.15331	2.9
233.18915	0.9
235.13315	1.0
235.16841	1.1
243.20985	1.0
249.14813	4.1
249.18489	2.1
255.21066	1.2
271.20291	0.8
286.44403	0.8
298.82791	1.0
383.25635	1.2
409.34711	1.2
411.36383	1.7
421.30524	8.7
439.31769	32.6
457.32190	17.1
457.37735	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	457.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11963	1.6
51.50582	1.2
53.03935	1.6
55.01870	1.6
55.05300	1.3
55.05518	15.4
56.96549	1.6
57.03416	2.6
57.07083	6.5
64.84618	1.4
67.05170	2.2
67.05511	35.5
69.07073	26.0
70.95412	3.4
71.05000	26.3
71.08623	2.4
79.05506	17.2
81.07066	48.0
83.04992	4.9
83.08625	14.4
85.06548	33.1
91.05486	35.9
93.07053	25.4
94.39825	1.3
95.04968	3.9
95.08617	34.7
97.06538	4.3
97.10163	9.5
98.98470	7.5
105.07042	39.5
107.07869	2.1
107.08601	40.9
107.09296	2.9
109.06528	3.2
109.10163	52.0
110.35403	1.5
111.08057	3.3
111.11723	3.1
113.06005	1.3
113.09657	1.6
114.10344	1.3
117.06986	3.4
119.08588	20.0
121.06492	2.0
121.10160	18.8
123.08060	2.6
123.11712	13.9
125.09611	2.2
129.07018	1.8
131.08607	8.4
133.10144	100.0
135.08038	1.7
135.11708	14.7
137.09634	1.5
137.13271	6.6
139.11180	3.2
140.99516	3.8
143.08557	4.0
145.10150	8.6
146.06021	2.0
147.04436	1.5
147.11688	9.8
149.13278	5.2
151.11200	85.9
157.10164	3.5
159.11668	7.0
161.13255	7.2
163.14821	3.5
165.12804	1.6
167.10687	1.8
169.10098	2.8
169.12254	48.3
171.11734	2.3
173.13298	4.8
175.14845	5.0
177.16441	2.5
179.14316	2.0
183.11565	1.7
184.07503	2.4
185.13281	1.8
187.13312	76.3
187.14772	4.4
188.07086	2.6
189.16412	9.0
191.17969	6.9
193.19334	1.4
197.02115	3.9
197.13303	2.7
197.15070	1.2
199.14778	1.7
201.16380	2.7
203.14299	1.4
203.17987	7.6
205.19560	1.3
207.17419	1.9
215.18210	2.2
217.19472	10.0
225.12923	1.6
235.20531	13.7
249.18488	3.1
253.21692	8.8
271.22733	3.6
285.22061	5.3
285.24524	4.0
302.00699	1.7
303.23230	3.0
359.25748	3.0
379.58224	1.8
411.36148	5.8
439.35419	13.0
457.17606	2.7
457.23459	8.6
457.37524	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	457.368
Annotation	Swinniol
Peak:m/z	Relative Intensity
55.05520	13.1
57.07086	4.5
65.03949	2.1
67.05510	25.4
69.07069	23.8
70.75644	5.7
75.33158	2.4
79.05501	15.8
81.07062	51.7
81.07525	3.4
82.34716	2.4
83.08634	11.6
85.06562	2.4
90.18893	2.0
91.05465	19.6
93.07049	46.5
95.05009	3.3
95.08613	97.8
96.37846	2.6
97.06570	5.2
97.10210	8.8
105.07040	43.0
105.07678	3.7
107.08603	65.6
107.09286	3.6
109.06544	5.9
109.10162	56.3
111.08131	6.4
117.07053	6.7
119.08588	63.6
121.06507	2.9
121.10150	61.9
123.08109	6.7
123.11726	28.3
125.09624	5.0
128.46556	2.3
129.07027	3.3
130.39378	2.5
131.08568	19.8
133.10138	54.7
133.11070	3.6
135.08116	7.8
135.11697	39.9
137.09692	3.0
137.13306	7.0
143.08556	11.8
145.10133	29.7
147.08087	4.5
147.11702	29.4
149.09666	5.9
149.13252	36.8
149.14331	2.6
155.08607	3.1
156.09340	2.6
157.10135	17.4
159.11717	28.2
161.09683	7.7
161.13257	21.6
163.11148	3.0
163.14877	19.2
169.10130	4.1
171.11668	13.9
173.13264	20.7
175.11301	3.2
175.14830	19.7
175.16142	2.4
177.16406	12.7
179.14432	3.3
183.11800	3.6
185.13364	9.0
187.14822	21.2
189.12825	2.7
189.16385	24.8
191.14400	5.0
191.17964	52.6
191.19580	3.2
197.13316	4.5
199.14861	10.0
201.12869	2.9
201.16354	18.4
203.14372	5.1
203.17978	18.3
205.15938	6.3
205.19498	3.9
207.17494	4.3
211.14949	3.7
213.16376	10.6
215.17950	12.3
217.15944	11.3
217.19626	5.6
219.17528	5.6
221.19115	3.2
225.16441	4.4
227.18011	6.1
229.15880	4.0
229.19580	8.0
231.17430	12.4
233.19141	4.9
235.17093	4.8
239.18138	2.9
241.19580	4.7
243.20975	4.9
247.20537	3.4
249.18604	3.3
255.21146	3.5
259.20709	4.9
267.21246	3.9
269.22784	3.6
273.22247	3.1
283.24365	5.3
285.22473	3.4
289.21408	2.5
293.22675	3.4
299.23871	2.4
307.24042	2.3
329.24783	2.7
391.33572	6.3
403.33911	11.7
409.34671	27.4
421.34695	42.6
427.35703	6.4
439.35825	74.0
457.36896	100.0
458.37411	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	457.368
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
52.62328	0.3
53.03946	0.5
54.13418	0.3
55.05517	2.3
57.07075	0.9
59.52799	0.4
65.39752	0.4
67.05508	2.6
69.03442	0.5
69.07073	2.8
70.85416	0.4
71.08643	0.5
74.55150	0.3
79.05489	2.0
81.07063	6.7
82.95496	0.3
83.04996	3.5
83.08614	1.6
85.06545	0.6
91.05482	2.6
93.07052	5.2
95.04954	1.6
95.08613	10.8
97.06522	1.0
97.10158	1.0
98.21603	0.7
105.07043	6.4
107.08600	10.1
107.09299	0.8
109.06506	0.6
109.10168	6.2
111.08073	1.1
111.11736	0.5
119.08595	6.9
121.06452	1.0
121.10146	6.8
123.08082	1.0
123.11707	3.2
125.09613	1.1
129.07039	0.8
131.08569	1.3
133.06485	0.4
133.10136	6.6
135.08066	1.1
135.11700	6.5
137.13243	1.0
139.11200	0.6
143.08569	1.5
145.10092	2.4
147.08061	0.4
147.11687	4.3
149.09633	3.3
149.13258	2.6
151.11156	0.5
157.10190	2.1
159.11659	2.1
161.09628	2.0
161.13277	2.6
163.11211	0.8
163.14842	1.2
169.10181	0.9
171.11711	1.1
173.13257	1.5
175.11243	1.0
175.14861	6.7
177.16406	3.9
179.14429	0.5
183.11739	0.8
185.13280	1.5
187.14848	2.1
189.12718	0.9
189.16402	6.4
191.17924	3.0
199.14923	0.8
201.16512	1.1
203.14363	1.4
203.17982	5.2
207.17493	1.2
211.14810	0.5
213.16382	1.3
215.17973	0.5
217.15904	1.4
221.19008	1.9
227.17979	0.8
229.15895	0.6
231.17438	2.1
235.16945	1.5
241.19585	0.8
245.19095	0.6
249.18475	2.4
259.20554	0.5
261.18646	0.6
285.22266	1.9
303.23309	1.6
421.34814	1.1
427.35901	0.8
439.35706	5.2
457.36823	100.0
458.37180	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	457.3682
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
55.05522	2.3
57.03426	0.6
57.07083	0.5
58.24508	0.4
67.05513	3.0
69.07076	2.6
69.59515	2.2
72.59195	0.4
73.48942	0.4
79.05479	2.7
81.06590	0.6
81.07059	8.2
81.54056	0.3
83.04994	2.3
83.08609	1.5
89.69373	0.4
91.05493	2.4
93.07055	7.7
95.04987	1.1
95.08614	14.2
96.08946	0.5
97.06519	1.1
97.10168	0.8
98.20811	0.9
105.07046	6.5
107.07874	0.7
107.08606	11.6
108.08872	0.6
109.06551	0.5
109.10168	7.6
111.08100	0.6
117.07039	0.9
119.08594	8.1
121.06536	0.5
121.10149	8.1
123.08068	1.1
123.11724	3.1
125.08858	0.4
125.09625	2.1
131.08594	2.1
131.59943	0.4
133.10147	6.1
133.26563	0.4
135.08072	1.0
135.11705	6.9
137.09637	0.6
137.13268	1.4
139.07623	0.7
139.11197	0.7
140.99458	0.5
143.08565	1.0
145.10121	2.6
147.08087	0.9
147.11710	5.1
149.09657	3.3
149.13292	2.7
156.75377	0.4
157.10144	1.6
159.11707	2.5
161.09647	2.2
161.13312	3.0
163.11188	1.2
163.14847	1.5
169.10152	0.5
171.11702	1.4
173.13245	2.2
175.11264	1.3
175.14839	5.9
177.16422	3.1
183.11752	1.1
185.13293	1.6
187.14861	1.7
189.12721	1.1
189.16428	5.4
191.14241	0.5
191.18002	1.3
197.13301	0.7
199.14912	0.9
201.12715	0.8
201.16470	0.8
203.14354	1.4
203.18002	3.3
205.15887	1.2
206.16241	1.5
207.16853	0.4
211.14839	0.8
213.16437	1.3
215.18005	0.8
217.15898	1.1
221.19055	1.9
225.16344	0.4
229.19438	0.6
231.17497	1.4
235.16913	2.8
249.18556	0.9
267.21100	0.8
271.20721	0.5
273.22116	0.7
285.22177	1.8
303.23236	1.2
381.99365	0.4
408.53537	0.5
411.35706	0.8
421.34958	1.1
439.35815	4.9
445.92999	0.4
457.36823	100.0
458.36923	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
53.03939	4.0
55.01239	1.7
55.05517	17.6
57.07060	6.4
59.04976	3.5
65.03941	2.5
67.05506	27.6
69.03441	3.5
69.07069	28.3
69.53081	1.8
71.04962	2.3
71.58382	1.7
74.43362	1.8
79.05123	1.8
79.05494	19.2
81.07060	59.6
83.04975	6.5
83.08625	13.2
85.06526	6.1
91.05477	23.5
93.07047	54.0
93.07632	3.7
95.04973	3.6
95.08609	100.0
97.02872	3.1
97.06516	7.7
97.10165	8.6
99.08092	3.3
105.07033	50.5
107.04918	1.9
107.08597	85.9
108.08921	1.6
109.06502	7.0
109.10159	57.9
111.08081	6.5
111.11692	2.0
113.09617	2.3
117.07014	10.1
119.08582	86.5
121.06498	6.3
121.10148	79.4
121.11030	3.3
123.08070	13.3
123.11701	24.4
125.05968	1.7
125.09664	4.6
127.07502	2.6
127.53876	1.7
129.07027	3.6
130.07745	2.5
131.08583	27.6
133.06433	1.9
133.10135	63.0
133.71034	2.0
134.10457	2.1
135.08064	8.1
135.11696	53.7
137.09615	5.5
137.13257	11.2
139.11139	4.3
142.07753	3.0
143.08559	13.9
145.10126	39.2
147.04355	2.0
147.08057	5.0
147.11688	47.6
149.09613	4.6
149.13269	27.8
151.11145	5.1
151.14818	1.8
153.12656	3.1
155.08554	3.9
156.09299	4.7
157.10144	20.6
159.07997	2.5
159.11694	37.9
161.09573	6.5
161.13261	33.1
163.07452	2.1
163.11163	4.4
163.13567	2.9
163.14827	27.5
165.09103	3.3
165.12775	5.2
169.10118	7.0
171.11710	21.0
173.09547	4.3
173.13269	29.1
175.11232	4.0
175.14824	32.5
177.12741	5.6
177.16432	10.6
179.10695	3.6
179.14297	5.1
183.11664	5.4
184.12431	2.7
185.13300	12.5
187.11235	2.6
187.14824	28.3
189.12756	7.2
189.16405	41.7
191.10608	2.0
191.14299	11.2
191.17953	56.9
193.15930	3.5
195.11674	2.3
197.13208	4.7
199.14778	16.7
201.12628	4.9
201.16354	21.5
203.14273	7.6
203.17964	29.6
205.15877	20.9
205.19484	4.8
207.13870	4.3
207.17445	26.2
211.14719	4.5
213.12857	2.9
213.16367	16.1
215.14371	3.9
215.17906	14.2
217.12250	9.7
217.15857	15.8
217.19470	11.0
219.17438	5.3
221.15372	4.0
221.19081	2.1
225.16315	3.9
227.17967	7.0
229.15921	4.6
229.19588	4.8
231.13849	3.2
231.17459	19.9
231.21065	4.0
233.15446	2.0
233.18874	2.2
235.16925	27.6
239.17854	2.7
241.19431	3.8
243.17439	2.1
243.21014	4.9
245.18909	3.3
247.16949	2.5
247.20515	2.3
249.14693	3.6
249.18527	14.4
253.19591	2.7
255.21042	4.1
257.18854	3.2
257.22665	2.0
261.18637	2.2
273.22046	3.0
285.18671	2.2
285.21991	3.7
293.22556	2.2
363.30377	1.9
393.31528	2.5
395.32898	3.0
397.34607	7.6
399.32516	2.4
409.34991	2.5
411.31915	2.3
411.36353	6.7
421.29904	3.5
421.35193	22.1
427.35626	6.6
439.36368	67.6
457.31976	15.5
457.36545	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
55.05518	4.0
57.07080	2.8
67.05495	9.6
69.07087	5.0
69.22325	15.8
69.64985	1.3
71.08593	1.7
72.04514	2.5
79.05496	7.0
81.07063	18.2
83.04972	1.4
83.08646	4.4
91.05487	6.9
93.07048	15.4
95.08614	28.7
97.06559	2.2
97.10191	1.6
98.20968	6.5
99.08091	2.7
105.07042	14.6
107.08604	19.4
109.06543	2.0
109.10161	16.6
112.83359	1.2
117.07050	1.8
119.08581	22.3
121.10165	12.5
122.62608	1.2
123.08104	3.1
123.11741	5.7
131.08638	4.2
132.04839	4.2
133.10143	14.7
135.08144	1.9
135.11688	23.0
135.12561	1.7
137.09660	3.1
137.13249	2.7
143.08646	2.3
145.10143	8.5
147.11723	10.2
149.09677	2.3
149.13255	9.0
151.11118	2.2
157.10185	3.0
159.11778	5.7
161.13290	7.3
163.14842	8.8
165.12897	2.1
171.11794	3.0
173.13332	5.3
175.11252	1.6
175.14940	4.4
177.16389	10.2
185.13370	3.2
187.14883	5.4
189.12930	1.7
189.16393	29.9
191.18025	5.8
199.14928	3.8
200.20119	1.7
201.16481	6.5
203.18080	4.1
205.16020	3.1
205.19507	1.8
207.17444	51.3
211.14915	2.5
213.16533	2.6
215.18083	5.5
217.15973	2.5
217.19466	2.5
219.17517	2.5
229.19598	1.9
231.17564	3.9
233.19125	4.6
235.16978	3.7
237.18774	1.4
239.18036	2.2
241.19707	1.7
243.21069	2.0
249.18555	2.5
255.21249	2.9
267.21222	1.8
269.22876	2.1
281.22723	1.6
283.26599	1.8
285.22366	4.8
397.64624	1.5
403.33838	2.6
409.34998	2.0
421.34790	10.1
439.35718	24.4
457.36649	100.0
457.44479	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	lansiolic acid
Peak:m/z	Relative Intensity
53.03936	1.2
55.05515	10.7
56.96570	0.8
57.03421	1.1
57.07069	4.2
65.03955	1.9
65.25238	0.8
67.05508	17.7
69.03434	1.6
69.07073	17.5
71.04968	1.0
71.59004	1.2
73.36982	1.0
77.03912	1.2
79.05498	11.5
81.03429	1.1
81.07063	35.7
82.52479	0.9
83.04981	2.3
83.08622	10.3
85.02912	1.3
85.06570	1.0
87.41055	0.8
88.03783	0.8
89.03904	1.7
91.05486	12.0
93.07052	34.5
95.04964	2.8
95.08613	76.3
96.08969	1.3
97.02907	7.7
97.06538	4.0
97.10159	6.1
97.10688	0.8
99.08109	1.6
102.47923	1.0
103.05465	1.6
105.07037	30.0
107.04935	1.0
107.08601	54.5
109.06506	1.7
109.10163	47.4
111.08070	3.4
111.11706	2.0
117.03355	1.6
117.07041	3.2
119.08591	53.4
120.08908	1.3
121.06540	1.7
121.10149	52.1
123.08064	2.5
123.11716	18.8
125.06007	1.3
125.09632	2.1
129.06949	2.0
131.08589	9.0
133.02824	1.0
133.09119	1.5
133.10139	39.4
135.04445	2.5
135.08041	3.4
135.11705	46.5
137.05983	1.8
137.09596	3.2
137.13298	6.2
139.07552	1.7
139.11240	1.9
143.08556	2.9
144.09250	1.2
145.02863	2.9
145.10133	13.5
147.08061	2.1
147.11694	34.4
149.06039	1.2
149.09615	2.4
149.13269	21.4
151.07524	1.5
151.11188	2.4
153.09088	8.4
153.12801	1.7
155.08516	1.4
157.10150	4.6
159.08044	1.6
159.11725	12.7
160.12491	1.0
161.09642	2.0
161.13277	22.4
163.03915	18.5
163.07625	1.1
163.11198	2.0
163.14836	29.4
165.09114	4.5
165.12775	1.8
167.10692	3.0
169.08234	0.9
169.10165	1.2
171.11772	4.3
173.09619	1.4
173.13266	10.6
175.03806	1.6
175.11281	1.5
175.13295	1.2
175.14847	20.7
177.05511	1.0
177.12761	2.1
177.16388	16.0
179.10680	1.7
179.14270	2.6
182.55099	0.9
183.11697	2.2
185.13268	2.9
187.11198	3.5
187.14839	13.6
188.21513	0.9
189.16396	88.8
190.16699	1.9
191.17960	69.2
193.12265	2.1
193.15721	0.9
197.13306	1.1
199.11227	1.4
199.14786	3.2
201.05565	0.9
201.12802	1.6
201.16393	14.1
203.17963	80.6
205.12282	2.5
205.15825	3.3
205.19530	10.4
207.13997	1.8
207.17441	12.3
211.14702	1.2
213.12764	1.2
213.16394	2.5
215.17992	7.5
217.12285	2.5
217.15923	3.0
217.19550	11.8
219.13754	1.8
219.17455	2.0
219.21155	0.9
221.15332	2.8
221.19002	5.6
222.75662	1.0
223.16875	1.2
227.18094	1.6
229.19492	5.4
231.13844	8.4
231.17416	3.0
231.21088	9.7
233.15268	1.9
235.13274	2.2
235.16927	19.4
243.21078	2.0
245.22586	3.1
247.16986	7.5
249.18521	24.5
255.21098	1.1
257.18942	1.1
257.22656	4.1
261.18494	3.1
267.21252	1.2
271.24213	3.7
275.20084	2.0
277.06976	1.4
277.21616	1.2
291.19586	1.6
297.25751	1.6
325.10629	1.9
393.35339	7.4
411.36353	37.5
421.31094	2.9
439.36215	36.7
457.37305	100.0
458.37137	2.2
468.07852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05511	3.8
57.07061	1.8
67.05507	10.8
68.29302	1.3
69.07068	6.8
70.95329	1.4
70.95677	3.0
76.79477	1.3
79.05477	5.7
81.07063	19.7
83.08614	4.6
88.58717	1.1
91.05482	3.0
93.07051	17.0
95.08611	51.7
97.10173	3.5
105.07033	8.9
107.07866	2.0
107.08593	34.0
109.10160	23.4
111.08114	1.4
119.08586	19.6
121.10152	26.1
123.11734	9.1
133.10152	14.5
135.11710	17.0
137.13232	3.1
145.10132	3.6
147.11685	11.1
149.13268	12.9
157.10089	1.4
159.11700	3.7
161.13228	8.6
163.14835	30.7
173.13257	3.5
175.14886	8.5
177.16409	10.9
179.14258	1.4
185.13342	1.8
187.14822	6.7
189.16386	19.4
191.17975	18.1
193.15697	1.4
201.16354	3.8
203.17958	22.7
205.19597	6.3
207.17474	3.7
215.17950	2.9
217.19472	3.5
221.19028	3.4
227.17938	1.3
229.19505	3.0
231.21062	9.1
233.19048	2.0
235.16811	1.5
243.56499	1.4
247.16833	2.1
249.18539	1.5
263.20004	1.8
275.20068	1.5
297.25787	6.0
315.26697	3.3
341.28433	1.8
343.66876	1.2
393.35318	9.6
411.36252	100.0
412.36417	2.3
439.35587	7.7
457.36581	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	457.3683
Annotation	27-Desoxyphillyrigenin
Peak:m/z	Relative Intensity
53.03950	0.4
55.05503	3.8
56.96565	0.4
57.03427	0.9
57.07079	1.7
67.05507	6.3
69.03432	1.2
69.07069	5.9
71.04985	0.6
71.08662	0.4
71.31713	0.9
75.16917	0.5
77.03938	0.6
79.05499	4.5
81.07060	13.1
83.04967	2.9
83.08624	2.4
85.02911	1.2
85.06559	0.5
91.05484	5.4
93.07052	12.5
95.04982	1.6
95.08612	26.2
96.08934	0.6
97.02892	6.4
97.06546	0.9
97.10186	2.1
98.97576	0.7
103.05519	0.7
105.07034	10.9
107.07861	0.9
107.08602	18.1
109.06542	1.2
109.10162	14.6
109.12260	0.5
111.08105	2.3
117.03394	0.9
117.06968	0.6
119.04916	0.5
119.08587	17.0
120.08941	0.5
121.06525	2.1
121.10144	14.4
123.08076	1.4
123.11713	5.4
125.09639	3.6
129.07021	1.3
131.08594	3.3
133.02888	1.7
133.06415	0.6
133.10139	12.1
135.04419	1.8
135.08095	2.1
135.11705	13.1
135.12715	0.9
137.05959	0.7
137.09645	1.4
137.13268	2.3
139.07590	0.9
139.11179	1.0
143.08575	1.3
145.02939	1.0
145.10124	5.1
147.11697	10.0
149.09639	3.4
149.13269	6.6
151.03922	0.5
151.11241	1.4
153.09099	1.1
153.12825	0.6
155.08589	0.5
157.10104	2.3
159.08124	0.7
159.11691	4.8
161.09648	2.6
161.13281	5.9
163.03931	6.9
163.11230	1.1
163.14821	5.4
165.09157	1.8
165.12866	0.7
167.10683	0.5
169.10204	0.8
171.11736	2.4
173.09778	0.5
173.13264	3.6
175.11237	1.4
175.14827	7.4
177.12788	1.2
177.16431	5.0
179.14355	0.9
183.11800	0.9
185.13309	2.1
186.10291	0.5
187.11206	0.6
187.14856	3.6
189.12785	1.5
189.16383	15.5
191.10561	0.5
191.14316	0.7
191.17964	11.5
193.15990	0.7
197.13300	0.8
199.14876	1.8
201.16377	3.0
203.14397	0.7
203.17966	14.4
205.16066	0.8
205.19603	1.4
207.13878	0.5
207.17488	2.2
211.14841	0.7
213.16394	1.3
215.14459	1.2
215.18034	1.2
217.12556	0.5
217.15965	1.5
217.19472	2.3
219.10197	0.9
219.13959	0.5
219.17433	0.6
221.15274	0.9
221.19073	1.8
225.16396	1.0
229.15886	0.8
229.19661	1.1
231.17528	1.8
231.21053	2.3
233.15477	0.6
235.16916	4.6
237.16118	0.6
241.19647	0.7
247.17050	1.2
249.18480	4.1
255.21194	0.8
257.22723	0.5
281.44641	0.5
285.22363	1.0
303.23270	1.0
325.10669	1.1
393.35385	1.2
411.36197	7.1
421.34979	1.5
439.36188	9.1
457.36880	100.0
458.37103	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.85527	1.3
55.05514	9.5
57.07082	3.4
67.05509	12.8
69.07079	15.4
69.58250	9.4
79.05495	9.3
81.07069	29.4
83.08630	8.1
85.35729	1.3
91.05482	9.2
92.06649	1.5
93.07053	26.6
95.08617	71.6
97.06548	3.2
97.10183	4.6
105.07039	18.7
107.08601	48.7
109.10165	42.0
111.08095	2.7
111.11726	3.2
113.60118	1.5
117.07085	1.9
119.08595	44.6
121.06630	1.3
121.10159	40.1
123.08091	1.6
123.11720	14.9
125.09677	1.5
131.08571	3.5
133.10138	35.9
135.11703	37.9
137.09648	2.1
137.13248	4.1
145.10182	9.0
147.11697	31.2
147.12798	2.5
149.13287	18.8
151.07587	1.5
153.09160	7.5
153.12845	1.5
159.11734	5.7
161.13251	17.8
163.14856	27.1
163.16075	0.9
165.09201	1.7
167.10742	2.9
173.13324	6.2
175.14842	18.3
177.16399	13.4
179.10785	1.9
185.13167	1.9
187.14815	10.3
189.16400	78.2
191.17960	59.4
199.15016	2.0
201.16451	11.8
203.17970	67.7
205.15898	3.0
205.19492	7.8
207.17528	7.6
213.16518	1.8
215.18008	6.9
217.15991	3.1
217.19537	16.0
219.17604	1.8
219.21149	1.7
221.19110	5.2
229.19545	3.4
231.17422	1.8
231.21054	10.8
235.17003	12.8
241.19356	1.5
247.17024	5.5
249.18524	20.8
257.22617	2.2
261.18735	2.3
275.20090	2.1
277.21579	2.9
393.35168	9.1
411.36234	40.6
427.35736	3.5
439.35849	36.6
457.36896	100.0
458.37314	2.7
473.67267	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.368
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05507	7.4
57.07058	3.4
67.05511	13.7
69.07075	14.8
70.70508	3.0
79.05495	9.2
81.07063	28.1
83.08601	9.8
91.05499	6.8
93.07052	23.4
95.05033	1.6
95.08613	59.2
97.06546	3.5
97.10180	4.5
105.07034	23.5
107.08599	41.9
109.06531	1.9
109.10164	32.9
111.08102	2.2
115.98428	1.5
118.65115	1.5
118.69398	1.3
119.08588	40.8
121.10148	34.9
123.07987	1.6
123.11717	14.5
125.09672	1.5
131.08594	4.1
133.10141	29.3
135.11702	29.0
135.44588	1.5
137.13225	2.5
139.07545	1.8
139.11183	1.7
143.08623	1.5
145.10135	8.3
147.11696	23.3
149.13266	16.7
151.11218	1.7
153.09138	6.4
157.10181	2.4
159.11665	7.2
161.13281	17.8
163.11227	2.4
163.14847	25.6
163.16107	2.4
165.09183	1.9
165.12814	1.7
171.11754	1.6
173.13251	6.6
175.11290	1.5
175.14842	13.0
177.16447	10.6
179.14304	1.8
185.13297	2.6
187.14833	9.6
189.16391	63.4
191.17960	59.7
201.16432	13.5
203.17970	58.6
205.15929	4.1
205.19525	11.7
207.17418	7.3
213.16280	1.5
215.17990	5.5
217.15968	2.0
217.19592	8.9
219.17458	8.9
221.15556	2.6
221.19115	3.9
229.19606	4.1
231.17401	2.2
231.21040	10.6
233.22627	1.6
235.16971	10.5
243.20981	1.8
245.22726	2.9
247.17058	3.2
247.24379	1.8
249.18500	21.7
261.18475	1.8
269.22571	1.9
271.24356	2.1
275.20224	2.1
315.23059	1.5
393.35126	7.9
411.36292	29.7
421.35001	2.8
439.30746	2.3
439.35965	36.9
457.36905	100.0
458.37228	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3681
Annotation	Maprounic acid
Peak:m/z	Relative Intensity
53.03951	1.8
55.05513	16.6
57.07069	3.9
60.73005	2.0
61.73083	1.5
67.05512	19.5
67.44493	1.6
69.07072	20.0
69.51604	10.5
79.05495	11.2
80.72932	2.0
81.06581	2.6
81.07063	48.8
83.08629	14.3
84.45452	1.7
91.05476	15.1
93.07052	38.1
95.08613	100.0
96.08921	1.9
97.06533	3.2
97.10188	7.0
99.13816	1.6
105.07039	29.7
107.08607	60.7
109.06574	2.0
109.10166	60.8
111.08111	4.1
111.11747	2.3
118.06525	1.7
119.08591	67.2
121.10152	60.5
123.11707	25.4
125.09681	2.8
131.08569	7.0
133.10144	43.2
135.08093	2.8
135.11708	45.0
137.13248	12.8
145.10143	10.0
146.06085	2.0
147.11687	35.1
149.13266	27.9
153.09062	8.9
157.10136	2.3
159.11708	12.7
161.13272	23.9
163.14839	39.0
163.16100	3.0
165.09172	2.0
165.12842	2.1
165.16373	1.7
166.25450	1.8
167.10771	4.4
173.13287	7.2
175.14830	23.6
177.16414	18.6
179.10678	2.1
179.14349	3.1
179.17995	4.3
182.30760	1.6
187.14842	13.4
189.16399	98.5
191.17966	96.6
199.14832	3.5
201.16417	17.0
203.17976	91.0
205.19618	15.4
207.17441	7.8
213.16467	4.4
215.17908	13.5
217.19536	15.7
219.17538	2.0
221.19061	4.7
227.18002	2.8
229.19594	6.0
231.17592	3.5
231.21082	16.1
235.16937	18.1
241.19591	1.8
245.22786	4.1
247.16969	8.0
249.18533	34.9
257.22681	3.6
259.16965	3.3
261.18570	7.2
271.24219	3.3
275.20261	4.1
277.21591	3.1
279.10565	1.8
393.35129	11.1
411.30688	2.4
411.31674	1.4
411.36243	67.1
439.35791	56.4
457.36890	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	457.3681
Annotation	Oxyallobetulin
Peak:m/z	Relative Intensity
55.05513	5.9
57.07079	2.3
57.76116	0.8
59.77257	0.8
62.47843	0.6
63.45065	0.6
65.36958	0.8
67.05506	9.3
67.72240	0.7
68.82007	0.7
69.06711	1.1
69.07068	7.9
69.73313	5.2
71.04994	1.0
71.08638	0.8
76.53734	0.8
79.05493	7.8
81.07066	21.2
83.04996	1.0
83.08618	5.8
86.54115	0.8
91.05486	7.7
91.39483	0.7
93.07047	15.4
93.31991	0.8
95.04996	1.1
95.08611	37.2
97.06570	1.6
97.10187	2.8
99.08107	1.2
105.07035	15.8
107.08602	24.6
109.06545	2.5
109.10168	20.6
110.10523	0.8
111.08128	3.3
111.11772	0.8
113.09702	1.1
117.07050	1.3
119.08587	24.9
120.08920	0.9
121.06543	1.6
121.10149	20.1
121.13918	0.7
121.16618	0.7
123.08102	2.5
123.11716	8.9
125.09674	1.8
129.07053	1.6
131.08578	6.0
133.10136	19.8
133.11069	1.2
135.08086	1.6
135.11708	20.0
135.12703	1.3
137.09650	2.0
137.13278	5.8
139.11232	1.3
143.08617	2.5
145.10126	9.7
147.08055	1.3
147.11705	13.6
149.09593	0.9
149.13280	9.4
151.11256	1.7
153.09149	1.8
155.08626	1.1
157.10133	5.1
159.11705	8.9
161.09677	1.8
161.13286	9.7
163.11249	1.2
163.14841	11.2
165.12895	1.3
169.10138	1.3
171.11708	4.0
173.13254	5.4
174.93857	0.8
175.11317	2.1
175.14839	8.1
175.16020	0.7
177.12766	1.1
177.16383	6.5
179.14362	1.8
183.11726	1.7
185.13335	2.7
187.14822	8.2
189.16405	22.2
189.18076	1.2
191.14485	1.7
191.17952	18.2
194.54837	0.8
197.13342	1.7
199.14850	5.7
201.12695	0.9
201.16391	7.0
203.14317	1.9
203.17979	15.2
205.15857	5.3
205.19621	2.1
207.13966	0.9
207.17442	9.1
211.14923	1.6
213.16389	3.9
215.14464	1.0
215.18048	3.4
217.15958	4.8
217.19617	3.3
219.13951	0.9
219.17589	2.2
225.16415	0.9
227.18086	0.9
229.19650	3.0
231.17354	3.9
231.21199	2.7
235.17064	3.6
241.19734	2.0
243.21202	2.1
247.17027	1.3
249.18512	6.3
255.21132	4.0
257.22632	1.5
269.22833	1.2
273.18906	0.8
273.22183	0.8
285.22119	1.2
391.33899	0.9
393.35532	2.1
403.33975	1.2
409.34787	6.5
411.36389	8.7
421.35410	4.6
427.35706	6.4
439.36462	16.1
457.37057	100.0
458.37341	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	457.3679
Annotation	Bacosine
Peak:m/z	Relative Intensity
53.03942	1.0
55.05508	10.7
56.96570	1.2
57.07068	5.5
58.15034	1.0
65.03925	1.1
67.05511	20.1
69.03449	0.9
69.07072	16.8
70.89098	2.3
71.08642	1.9
79.05495	10.4
81.07062	52.2
82.07394	1.1
83.08623	11.6
83.63415	0.9
85.06561	1.5
91.05476	9.1
93.07050	29.3
95.04950	1.2
95.08613	95.3
96.08933	1.2
97.06529	1.5
97.10182	6.5
103.05501	1.1
105.06377	1.7
105.07040	21.9
107.08601	48.0
109.06532	2.1
109.10164	53.3
111.08084	3.8
111.11730	2.6
112.60027	1.0
117.06985	2.0
119.08587	52.1
121.06508	2.8
121.10149	41.8
123.08092	1.3
123.11720	32.6
124.48164	0.9
125.06060	1.3
125.09594	1.2
131.08560	6.7
133.10136	35.1
135.08136	0.9
135.11702	36.4
137.09639	1.5
137.13258	23.0
139.07538	2.5
139.11194	1.4
140.00873	1.0
143.08586	2.4
145.10130	9.8
146.06081	1.2
147.11707	31.0
149.13269	18.2
151.11157	2.3
153.09122	7.7
157.10147	1.3
159.11711	8.0
161.13275	19.3
163.14836	27.4
165.09068	1.6
165.12776	1.4
167.10693	3.7
171.11710	1.7
173.13286	7.3
175.11166	1.0
175.14832	14.6
177.09035	1.8
177.16394	15.5
179.10609	1.8
179.14453	1.4
179.17946	8.3
179.87030	1.0
185.13277	2.1
187.14836	10.2
189.16393	77.7
190.16742	1.6
191.17960	63.9
192.18303	2.0
199.14841	2.0
201.16402	14.4
203.17966	72.7
204.18375	1.1
205.12321	0.9
205.15939	1.1
205.19554	9.7
207.17439	6.2
209.15596	1.1
209.60789	0.9
213.16376	6.6
215.17970	21.3
217.15927	1.6
217.19456	10.5
219.13872	1.1
219.17546	1.5
221.15488	2.6
221.19051	4.3
229.19505	4.9
231.17435	2.7
231.21042	11.6
231.22853	1.1
233.15540	1.1
233.19019	1.5
235.16928	14.9
241.19557	1.6
243.21130	2.9
245.22688	2.2
247.17064	4.9
249.18515	24.5
257.22723	3.7
259.16986	6.8
261.18567	15.2
271.24152	2.6
275.20053	2.5
277.21692	2.2
287.19974	1.4
289.21832	2.4
301.21701	1.0
315.23151	1.3
329.24823	1.5
343.26294	1.1
369.28021	1.1
393.35220	13.1
411.36212	41.4
421.34991	1.5
432.87723	1.1
439.35776	45.4
457.36844	100.0
458.37265	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	457.3682
Annotation	lansiolic acid
Peak:m/z	Relative Intensity
55.05521	19.3
57.03415	4.4
57.07070	7.4
61.37921	3.5
62.36860	3.6
67.05507	43.7
69.07075	36.8
70.88512	8.6
70.88853	5.7
71.04985	4.7
72.09764	3.8
79.05509	21.4
81.07062	62.5
83.08646	20.5
85.06514	4.2
87.82824	3.4
91.05476	21.1
93.07053	50.9
95.08051	7.1
95.08618	100.0
97.06479	6.8
97.10162	8.6
105.07047	35.1
107.08603	75.9
109.10157	59.8
111.08081	5.2
111.11779	3.8
117.07034	5.9
119.08578	58.5
120.96645	18.8
121.06509	8.8
121.10150	57.1
123.11707	16.7
125.09624	4.3
129.07053	4.2
131.08571	8.3
133.10159	58.0
134.81818	3.6
135.11710	41.9
137.13243	10.5
143.08571	4.2
145.10123	17.0
147.11697	43.1
149.09621	5.2
149.13261	20.1
149.31561	3.7
156.97488	4.2
157.10164	9.1
159.11710	19.0
161.13266	25.6
163.11250	4.3
163.14850	35.0
165.09143	4.7
171.11600	5.5
173.13245	10.9
175.11150	6.4
175.14836	15.6
177.16351	13.8
179.14349	7.6
185.13379	4.5
187.14847	13.3
188.07083	11.1
189.16376	47.9
191.17963	65.7
201.16364	9.3
203.14264	6.4
203.17986	72.4
205.15785	5.0
205.19363	4.6
207.17462	5.4
213.16415	7.8
215.17982	7.9
217.15898	6.1
217.19539	14.6
219.17412	6.9
221.18964	7.4
229.19522	3.9
231.17450	7.7
231.21104	12.1
235.16896	5.2
249.18549	21.6
277.15945	4.3
278.13885	3.8
337.27316	35.5
359.25494	10.7
393.35229	8.4
411.36414	21.2
421.34750	10.3
439.35831	99.3
443.58002	3.6
457.23138	32.5
457.36984	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	457.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34417	1.4
55.05516	4.5
57.07055	1.6
63.58921	1.5
67.05509	10.2
69.07080	9.8
69.39902	11.6
79.05488	7.5
81.07059	21.8
83.04995	1.4
83.08624	5.6
91.05479	8.4
93.07049	19.2
95.08616	39.6
95.27834	1.3
97.06553	2.6
97.10189	2.9
97.55974	1.4
98.21535	2.6
104.36582	1.3
105.07027	16.6
107.08604	30.3
109.06554	4.7
109.10155	17.7
111.08092	2.1
117.07062	2.6
119.08589	24.3
121.10147	19.3
123.08120	2.6
123.11695	8.0
127.10011	1.3
131.08563	8.6
133.10149	19.5
135.11703	21.5
137.09668	3.2
137.13341	2.2
142.07895	1.6
143.08578	6.5
145.10136	11.1
147.08066	1.4
147.11678	16.8
149.09668	1.9
149.13255	15.0
157.10158	10.0
159.11703	11.0
161.09697	3.4
161.13246	10.0
163.14844	10.7
165.12892	1.9
171.11734	5.7
173.13271	7.3
175.14911	6.0
177.12779	2.4
177.16463	6.2
185.13242	8.9
187.14853	11.0
189.16397	24.8
191.18044	5.9
197.13232	1.9
199.14839	16.2
201.16391	13.2
203.17993	6.7
205.15904	17.1
207.17468	27.9
207.80206	1.5
211.14864	2.9
213.16331	7.4
215.18044	5.7
217.15910	14.5
219.17487	6.6
225.16512	2.9
227.18004	2.7
229.19534	3.3
231.17607	1.7
235.16937	7.1
241.19557	6.6
243.21198	5.4
253.19679	2.9
255.21100	26.6
255.23488	1.5
257.22775	4.3
269.22617	9.7
295.24301	1.8
345.28021	2.5
357.28043	1.7
391.33536	9.1
409.34644	43.9
420.63525	1.5
421.34891	4.1
427.35736	27.4
439.36240	21.2
457.37012	100.0
458.37311	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
53.87971	0.2
54.27305	0.2
55.01863	1.0
55.05510	0.6
59.04998	0.6
69.06716	0.4
69.07072	5.1
71.26357	0.4
73.02920	3.2
73.06554	3.1
81.07065	0.2
91.05486	1.0
93.07052	1.6
95.04973	0.4
97.06532	0.7
103.05495	1.1
104.05024	0.6
104.62912	0.2
105.04535	0.3
105.05790	0.3
110.28165	0.2
120.08176	0.4
121.05650	0.5
121.06513	10.5
122.06045	0.8
132.04449	0.8
134.06009	0.5
136.08380	0.2
148.97469	0.2
150.05508	4.6
164.07072	51.2
165.07408	0.4
166.08609	0.3
178.08748	0.2
223.08379	0.3
264.12302	6.9
273.26361	0.3
278.13876	100.0
279.14255	1.1
338.15936	0.5
341.90546	0.2
384.18039	10.6
416.20798	0.6
458.21664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
54.46741	0.2
55.01867	0.9
55.05504	0.8
58.51912	0.2
59.05009	0.6
67.05495	0.3
68.81650	0.2
69.07073	4.8
73.02918	3.1
73.06558	2.7
79.05511	0.3
81.07066	0.4
82.30991	0.2
91.05502	1.4
93.07065	1.6
95.08597	0.8
97.02885	0.6
97.06509	0.6
103.05466	1.3
104.04976	0.3
105.04501	0.3
105.07005	0.4
107.08604	0.3
109.10121	0.2
119.08533	0.3
120.08134	1.2
121.06518	10.1
121.10156	0.3
122.06023	0.8
122.06810	0.3
123.11717	0.3
132.04410	0.5
133.02864	0.2
133.10153	0.2
134.06064	0.4
135.11731	0.2
137.05975	0.5
143.08640	0.2
150.05498	3.5
163.03938	0.6
164.07074	44.9
166.04919	0.3
175.04045	0.2
203.41478	0.2
219.12469	0.3
222.07649	0.3
223.08427	0.3
237.02808	0.2
264.12320	7.0
264.15146	0.4
278.13882	100.0
279.14392	1.5
280.11960	0.4
280.15506	0.4
313.96783	0.2
338.15805	0.6
369.71265	0.2
384.18091	10.2
399.15848	0.4
416.20801	0.5
426.08713	0.3
426.58673	0.2
458.17221	0.7
458.22256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2541
Annotation	Roquefortine E
Peak:m/z	Relative Intensity
50.01630	0.2
51.83027	0.3
52.70001	0.3
53.03954	2.0
55.05505	0.4
57.07070	1.4
57.38174	0.2
70.69852	0.7
70.70206	0.4
73.02924	0.4
77.03929	0.6
79.05483	0.5
81.03419	0.3
85.02901	0.6
91.05481	7.1
93.06465	0.5
93.07045	9.0
95.04969	1.8
103.05473	8.0
105.04528	1.1
112.29099	0.3
116.04929	0.3
117.05762	0.7
118.06562	2.7
120.04466	0.4
121.06508	39.3
121.27770	0.2
122.06841	0.4
130.06522	0.3
134.09677	0.5
144.04454	4.9
146.06015	13.6
157.11755	0.3
162.05487	2.9
164.07072	0.7
172.03947	2.5
176.05548	0.4
176.07071	5.1
178.08641	30.6
179.09082	0.4
190.04968	1.5
200.14372	0.4
204.06596	2.7
210.11198	0.7
222.07640	1.7
228.13847	1.4
246.14922	2.7
248.16336	0.3
256.13278	1.6
260.16455	11.0
262.18030	32.6
263.18381	0.7
274.14383	3.1
278.14011	0.6
278.17419	0.6
288.15961	8.4
294.20663	2.9
306.17004	45.7
307.17294	0.7
320.18594	2.2
338.19641	1.7
426.22675	3.3
458.25388	100.0
459.25751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77704	5.1
53.03947	6.7
55.01877	5.0
55.05503	19.1
56.75357	4.9
57.07071	6.4
63.13266	4.5
65.67965	4.7
67.05505	29.9
69.07073	26.9
69.22820	50.0
71.04987	9.0
78.82180	4.9
79.05493	38.9
81.07058	94.1
81.78481	4.8
85.06558	34.1
91.05489	39.7
93.07047	71.5
94.52700	4.4
95.04948	7.1
95.08607	78.3
96.29731	4.6
97.10224	8.2
105.07043	100.0
107.08618	57.1
109.10160	40.7
111.08089	10.4
113.09641	13.1
119.08600	43.6
121.06484	8.1
121.10158	63.4
123.11700	19.2
125.09570	5.4
129.52444	5.4
131.08591	12.2
133.06480	15.8
133.10124	33.5
134.07246	10.1
135.08075	23.0
135.11703	31.1
136.08392	16.2
139.11174	4.8
145.10120	15.5
147.11705	27.0
149.13272	28.8
158.14743	4.3
159.11719	21.8
161.13240	30.9
163.14841	28.2
164.07086	23.3
165.03761	12.8
166.04050	9.7
173.13261	14.4
175.14832	12.8
187.14873	10.5
189.16440	11.4
201.16351	7.6
203.17989	8.2
215.18001	8.8
217.19545	9.1
229.19521	7.5
231.21120	12.3
278.13843	48.2
278.16678	10.8
295.17224	17.3
296.17514	41.1
458.35559	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	459.0902
Annotation	8-Demethyltetracenomycin C
Peak:m/z	Relative Intensity
60.97449	0.4
70.08719	1.9
70.09093	0.5
78.27912	0.5
97.02871	0.7
118.79111	0.4
137.05974	0.9
161.02898	0.6
240.43141	0.5
297.08197	1.2
398.75549	0.6
459.08966	100.0
460.09232	1.2
460.18124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09747	1.7
57.06188	1.7
62.41386	1.4
64.44558	1.6
69.07055	2.9
70.59023	2.3
70.59377	3.8
81.07063	4.8
83.69235	1.8
91.05466	3.1
93.07034	3.3
95.08607	8.6
97.02892	3.0
97.10129	1.8
98.97575	4.2
105.07013	4.5
107.08588	3.4
109.10114	4.3
119.08552	4.7
121.06540	4.9
121.10090	3.8
123.11728	2.3
129.52451	1.9
131.08572	1.8
133.02814	1.9
133.10130	3.0
135.11644	3.0
137.05948	4.9
147.11688	3.4
161.13252	2.2
165.09143	4.2
203.17859	3.2
219.01747	3.1
237.02892	2.8
245.04965	2.2
327.10974	1.9
391.59113	2.1
396.21298	2.3
418.21082	2.7
459.10538	100.0
460.10797	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91367	0.8
55.01856	1.0
56.96559	3.2
57.03433	2.1
61.02914	2.1
69.03436	4.6
69.63613	1.3
69.64022	3.8
70.06592	2.0
71.04976	1.6
72.08153	0.8
73.02915	4.2
81.03413	1.6
82.99817	0.8
84.08133	1.6
84.96037	1.1
85.02912	11.2
87.04448	1.4
89.03930	1.9
91.05479	1.7
91.24126	0.8
91.70110	0.9
97.02882	5.4
98.20615	1.0
98.97587	12.7
99.04472	0.9
100.00084	1.0
101.00880	7.0
101.12807	0.8
109.02879	1.3
110.97571	2.6
111.30972	0.9
113.00858	1.2
115.02451	1.0
115.03879	1.0
116.98626	3.8
117.03386	1.6
118.01065	1.1
119.01923	9.8
119.04953	3.2
121.02851	0.7
121.06548	0.8
123.20981	0.9
127.03925	1.9
128.98592	3.2
131.00145	1.0
131.01903	3.3
131.04961	1.3
135.04399	3.4
137.02911	1.1
137.05988	20.1
142.01131	3.3
143.00127	2.0
143.01915	14.7
145.02670	1.9
145.03618	1.4
145.05008	1.6
146.99605	1.0
147.00551	7.5
147.04401	5.5
155.01888	2.6
156.03706	1.1
157.03445	2.3
158.99655	3.0
160.02197	2.8
161.02974	29.6
163.00340	0.7
163.03899	18.9
164.04227	2.1
165.01601	5.8
167.01880	1.2
167.07018	1.0
170.99657	1.6
171.05058	1.7
173.03006	4.6
177.00604	1.2
177.04050	1.7
179.07048	2.2
181.03474	2.0
183.01381	1.4
183.04997	1.0
184.02089	1.2
184.05888	1.1
185.02951	4.2
187.02925	0.9
187.04515	1.7
189.00793	1.2
193.03558	0.8
195.05028	7.4
196.02173	1.2
197.02930	1.8
197.06706	1.1
201.00769	1.3
203.04005	21.3
203.05762	1.6
205.03416	1.3
207.05034	1.2
211.08163	3.3
213.04332	1.1
215.04182	1.1
218.04338	1.0
219.01761	6.1
219.05042	13.4
221.03108	1.3
221.05061	4.4
222.03687	2.3
223.04588	2.4
223.06584	0.9
225.06035	1.4
226.03270	1.0
229.06987	1.0
231.05109	1.5
233.03001	0.9
234.03658	1.4
235.04527	1.4
236.05220	1.6
237.02820	8.4
237.06071	11.8
239.04340	2.8
244.04291	18.6
245.05043	3.2
247.04547	3.0
249.06102	4.4
252.04726	1.9
255.03632	1.8
257.05048	1.0
259.04532	2.0
261.02567	0.9
261.06143	3.2
262.05411	1.1
263.06119	6.4
264.04715	4.0
267.07242	5.0
279.04019	1.8
279.07050	11.8
279.09512	1.0
291.04010	1.1
291.07004	1.2
297.08212	19.1
307.06604	3.1
309.04932	1.3
309.08191	2.7
317.08383	15.7
321.08008	3.8
327.05878	1.0
335.09363	1.5
339.09296	3.3
348.06952	10.9
349.07999	1.4
363.09311	6.4
366.07959	1.4
369.10242	1.1
376.09280	1.0
381.10376	15.1
399.06241	1.3
399.11386	17.6
417.12411	1.8
459.11090	100.0
460.11655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	6.8
57.03423	3.4
61.02904	2.8
69.03429	8.3
69.94786	7.1
70.03751	1.5
71.04991	3.5
72.08149	2.0
73.02890	4.8
81.03403	3.4
84.96049	3.2
85.02905	15.9
85.06524	2.5
86.09664	1.4
87.04453	2.5
89.03905	3.0
91.05482	4.9
97.02892	9.9
98.20833	2.2
98.97588	28.7
99.04497	1.6
100.00101	1.8
101.00898	10.5
109.02874	3.0
110.97564	5.9
113.00874	1.6
116.98609	7.9
117.03351	4.2
118.01123	4.0
119.01923	21.0
119.04929	6.0
120.95419	1.2
121.06414	1.8
122.03643	1.9
127.03909	3.7
128.98669	6.7
128.99471	1.3
131.01898	6.8
131.04936	1.8
134.99568	1.7
135.04434	5.0
137.02910	2.3
137.05978	39.7
140.98482	1.4
142.01141	8.3
143.00121	3.8
143.01903	32.7
145.02718	1.8
145.03575	1.4
145.04971	1.7
146.99529	2.0
147.00523	5.5
147.04428	14.3
151.07535	1.7
155.01855	3.4
156.02661	2.9
157.03487	2.9
158.99641	6.5
160.02156	5.6
161.01474	2.8
161.02966	54.0
163.02556	2.3
163.03906	28.6
164.04161	2.4
165.01602	5.0
167.07060	2.2
169.03528	1.7
170.99707	2.3
173.02991	5.3
175.04527	1.9
177.00815	3.1
177.03964	4.1
179.00587	1.5
179.02165	2.1
179.07059	6.6
181.03473	4.2
185.02951	3.0
187.04375	2.4
189.00700	3.4
195.05022	14.4
196.02138	5.4
197.03047	3.9
201.00661	3.7
203.02487	1.2
203.04002	32.2
205.03532	3.8
207.04893	1.9
211.08205	3.4
217.70572	1.4
218.04347	2.3
219.01790	13.7
219.05019	31.3
221.05077	6.9
222.03757	3.6
223.04626	6.7
228.05742	2.0
231.04898	2.1
234.03607	1.6
236.05264	1.9
237.02789	14.3
237.06108	30.5
239.04295	6.1
240.04752	1.9
242.12956	1.8
244.04285	40.7
245.05070	4.4
246.03719	2.5
247.04539	5.0
249.06111	7.9
252.04878	3.3
253.05676	2.7
255.07288	2.6
259.04526	2.8
261.03046	2.0
261.06088	6.2
262.05295	3.4
263.06110	17.3
264.04800	8.9
267.07141	5.7
273.08197	2.0
279.04169	2.5
279.07126	31.0
280.07175	1.6
291.03683	2.1
291.06860	2.3
293.05380	1.5
297.08237	47.8
300.04877	2.1
307.06781	7.4
309.04892	2.6
309.08090	4.8
309.11319	1.7
311.09698	1.7
315.03510	2.0
317.08380	16.0
320.07144	2.2
321.08221	7.9
333.08185	1.4
335.09232	3.1
339.09219	4.4
348.06921	25.6
349.07736	3.7
354.90051	1.7
363.09265	12.5
366.07980	4.1
372.24915	1.6
381.10306	35.6
399.11365	39.8
417.12195	3.8
422.12692	1.8
451.54156	1.5
459.11081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96533	0.9
58.43774	0.9
61.02917	1.1
68.05484	1.0
69.03439	5.8
70.87809	0.9
71.04990	1.2
71.57217	1.3
81.03427	2.7
82.99891	3.1
85.02907	10.4
91.05478	1.9
94.04190	1.0
96.19970	0.8
97.02902	6.8
98.97606	4.7
101.00889	17.4
102.12444	0.8
102.13407	0.9
102.65673	1.0
109.02907	2.3
110.97642	1.2
113.00890	4.0
116.98649	1.1
119.01929	20.4
119.02702	1.7
119.04974	3.3
121.06538	2.7
122.03687	1.2
127.02435	1.8
127.03908	1.5
128.98593	1.3
129.93112	1.1
131.01915	6.5
133.03490	1.2
134.76878	1.0
137.02969	3.0
137.05983	79.3
139.02477	1.3
142.01125	2.7
143.01920	11.2
145.03505	6.9
145.05000	1.5
147.04395	11.4
149.06007	3.0
155.01906	9.7
156.02742	1.6
157.03505	4.1
158.99646	1.7
159.01431	1.2
160.02254	1.6
161.02974	15.3
161.06049	1.5
163.02521	1.3
168.02687	1.1
173.02980	9.4
175.04539	1.8
177.04025	2.4
178.01041	1.4
179.01968	1.7
179.07082	2.7
181.03453	6.3
182.04289	1.2
185.02951	8.5
187.04488	2.1
194.04341	2.2
195.05061	9.8
196.02249	2.8
197.02928	10.4
199.04402	0.9
203.04034	9.0
204.02695	2.3
205.03532	2.7
207.05035	1.6
210.03773	7.0
217.03542	1.6
218.04408	1.2
219.01859	2.4
219.05037	29.4
221.05040	10.2
222.03714	5.4
223.04561	5.4
224.05322	1.1
225.06152	1.8
227.04063	1.2
228.04869	1.7
231.05128	3.4
234.03802	4.4
235.04607	2.0
236.05371	2.1
237.06078	35.3
239.04538	1.8
244.04294	21.1
245.05087	25.8
245.07422	1.3
247.04610	3.4
248.05249	1.4
249.06041	14.2
251.07422	1.6
252.04787	8.0
259.04388	2.3
259.06854	1.5
261.06152	4.2
262.05444	1.7
263.06024	5.3
264.04956	1.8
265.05679	1.3
267.07156	27.6
267.09885	1.9
268.07477	1.4
270.05939	2.1
272.06702	1.1
276.04764	1.4
279.07111	18.2
288.04813	1.5
290.61838	1.0
291.07120	1.8
295.07108	1.4
297.08212	100.0
298.08582	2.3
300.04868	1.2
307.06683	9.3
309.08212	3.7
315.09604	1.5
321.08292	4.4
336.06924	10.6
339.09286	6.1
348.06918	22.3
348.10834	1.5
351.09283	12.0
363.09357	8.5
366.07925	1.6
369.10214	7.5
381.10318	21.1
399.11386	23.5
417.12466	2.7
459.13577	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	459.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	0.6
70.06598	2.5
71.04229	1.1
72.08154	0.7
84.08130	1.4
85.02932	0.5
86.09705	1.1
91.05460	0.6
97.02864	0.5
112.07601	1.7
121.16029	0.5
137.05988	1.4
140.07031	1.1
147.04407	0.8
147.96771	0.4
151.03722	0.5
163.03935	0.5
167.07024	0.4
177.05440	1.0
203.05247	0.4
209.04269	4.0
221.04221	1.6
253.06854	8.6
265.06882	1.5
273.09503	9.6
279.08362	1.1
297.09488	21.8
381.08603	0.8
392.79312	0.5
415.11960	1.4
459.14722	100.0
460.15073	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.8
53.37702	1.6
55.05511	5.5
59.26965	1.8
59.70352	1.9
63.31955	1.8
65.03957	2.6
65.76097	1.7
67.05512	9.6
69.03431	8.0
69.07053	7.5
69.32482	4.2
69.32877	14.1
72.04522	3.1
79.05473	7.0
80.05030	1.9
81.03423	2.8
81.07059	9.3
81.21893	1.8
83.04991	2.4
83.08638	2.4
85.02895	5.4
85.06516	2.0
87.04445	2.1
90.51140	1.8
91.05489	8.8
93.07043	10.7
94.06557	2.2
95.04966	3.9
95.08590	5.6
97.06534	4.0
103.05499	3.4
105.07065	4.2
107.05014	2.1
107.08610	2.9
108.04520	2.7
109.10152	5.2
111.04444	7.7
112.11287	2.0
115.05405	2.4
117.05751	1.7
117.06916	2.5
118.06562	29.4
119.08585	5.5
121.06524	19.9
121.10143	2.5
125.02398	2.5
125.09640	3.0
129.05498	3.5
130.06538	100.0
131.08531	2.5
132.08110	3.3
133.10136	3.0
135.11708	2.0
136.03979	2.5
137.09630	3.0
138.05453	1.8
139.03911	4.5
142.06532	5.9
143.07239	2.8
144.08096	24.7
145.10146	2.3
146.06017	67.6
147.04486	2.1
147.11693	2.9
149.06000	2.4
151.11128	1.9
154.05054	3.7
154.06487	2.2
155.03384	2.5
156.08076	2.0
159.09221	2.4
164.07111	7.9
165.09116	22.1
166.05019	5.2
167.07259	2.9
168.08064	11.7
169.07620	50.4
170.04614	3.0
170.05983	16.6
176.03448	2.6
176.07089	2.0
180.06564	4.3
180.08104	16.8
182.09657	6.2
184.06122	2.5
188.07076	83.1
194.05945	3.1
196.07593	2.0
206.09697	4.7
208.07581	57.3
210.09138	7.1
212.07169	2.9
215.08176	57.5
218.09576	2.4
220.07655	4.4
220.11205	2.6
222.05544	2.2
223.06042	6.1
223.08301	2.6
226.08655	12.7
230.06596	3.5
234.09166	9.9
236.07080	19.3
236.10797	3.6
237.10196	3.9
238.08675	4.3
240.10217	5.8
242.11786	4.6
248.07161	2.7
248.10570	2.9
251.09395	2.8
252.10202	3.4
254.08157	4.0
261.10431	2.2
262.08789	9.5
263.08279	3.1
263.11328	2.0
264.06546	2.3
266.11884	4.5
268.09671	5.2
276.10214	2.9
277.21588	2.8
279.09784	4.3
280.09393	4.4
280.12015	5.1
283.10788	2.5
285.08618	3.8
286.10779	73.6
294.11215	3.7
295.10852	2.9
299.10291	3.0
300.12521	9.1
304.09534	2.9
309.08701	5.2
312.12427	3.9
313.11832	2.2
315.13400	4.6
321.12497	2.2
322.10727	6.0
327.09619	4.3
335.10361	2.6
336.12311	4.9
341.11472	12.5
341.14902	3.0
349.12100	3.7
353.11255	6.1
354.13455	14.5
359.12402	53.0
363.13391	2.6
367.12753	5.3
377.11227	2.7
381.14490	9.0
385.13977	6.7
386.16046	13.7
395.12238	16.2
409.13956	22.8
427.15100	13.2
442.14908	14.2
459.17786	5.6
459.24164	6.1
460.19708	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.05507	8.1
57.03429	2.2
57.07060	3.1
59.05000	2.3
67.05514	15.8
69.03428	7.8
69.07065	11.5
70.06582	3.6
70.26555	5.5
71.04627	1.7
71.04993	4.3
72.08160	2.8
79.05509	2.6
81.03423	4.2
81.07072	21.0
83.04996	11.5
83.08614	6.1
84.08150	1.9
85.02915	12.6
85.06548	4.9
91.05486	11.2
93.07049	16.6
93.17079	1.7
95.04950	5.3
95.08618	31.5
97.02902	7.0
97.06510	2.6
99.04494	2.5
99.08107	5.6
103.05474	4.0
105.07013	9.6
107.04962	2.6
107.08605	17.9
109.02911	3.1
109.06517	9.2
109.10163	74.9
111.08078	2.8
113.09668	1.9
117.07043	1.7
119.04966	2.8
119.08585	29.7
121.06513	11.2
121.10139	13.5
123.08086	7.1
123.11696	7.8
125.09627	5.1
127.03951	4.2
131.04907	2.0
131.08611	4.3
133.06511	2.1
133.10150	15.6
135.11702	72.8
137.05975	8.7
137.09645	14.5
145.02994	2.3
145.10097	2.3
147.04451	3.1
147.11696	4.0
149.13272	5.3
151.03885	2.0
151.07533	2.1
151.11188	7.8
151.14853	9.9
157.10118	2.1
159.08028	2.0
159.11656	2.9
163.03926	8.0
164.88789	1.9
165.09119	2.5
166.04965	9.5
167.05370	3.8
167.07048	7.8
175.14848	34.2
177.05437	4.9
180.06557	2.2
187.07591	1.9
187.14839	1.9
191.45322	1.8
193.15898	43.9
210.07607	3.4
211.16943	100.0
224.05614	2.9
238.07120	24.3
248.08968	10.4
249.09247	11.8
256.11798	5.4
257.12170	7.2
279.10132	2.4
279.23120	3.0
280.08200	18.2
292.17493	1.7
296.07712	2.6
297.07825	2.7
309.11325	2.3
324.56281	1.7
335.12573	1.8
386.12454	3.0
427.09985	6.0
459.12524	51.9
459.18790	3.8
459.25711	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	459.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01883	1.4
55.05506	2.2
57.03424	0.9
65.03925	1.0
67.05504	5.2
69.03434	5.4
69.07063	2.5
69.40964	4.7
71.04984	2.0
72.04520	2.3
79.05491	2.5
81.02979	1.1
81.03426	13.8
81.07061	8.8
83.04967	1.1
83.08619	1.5
84.08109	1.3
85.02929	4.4
85.06541	0.9
87.00807	1.9
91.05501	5.2
91.17576	0.7
93.07059	12.6
95.04967	8.2
95.08618	6.6
97.02901	1.9
99.04455	1.1
103.05487	1.1
105.01890	1.7
105.07047	6.8
107.08634	6.2
109.02852	1.3
109.06506	1.3
109.10170	10.8
111.04479	1.0
111.08092	1.0
112.11281	0.8
118.06555	1.7
119.08593	4.1
121.06519	9.9
121.10166	5.0
122.06853	1.2
123.08153	1.5
123.11716	16.2
125.09689	1.1
127.03906	2.6
130.44711	1.0
131.08542	0.8
133.10149	13.7
135.08083	2.1
135.11719	2.6
137.05894	0.7
137.09610	1.0
146.05986	2.6
147.04410	1.0
147.11679	1.7
149.13286	8.9
151.07581	3.1
151.11197	100.0
152.11482	1.2
153.12749	2.4
163.03958	1.0
163.11229	1.5
163.14781	0.8
164.07117	5.7
165.07489	0.9
165.09160	3.4
167.14325	19.1
175.14844	4.8
178.84726	0.8
188.07040	2.3
191.10683	2.7
191.14320	14.2
193.15900	7.7
201.75529	0.7
211.16953	49.5
235.10776	1.1
237.25505	0.9
249.05600	0.8
267.09082	1.4
278.14075	0.9
279.09787	5.6
279.14178	1.0
280.11804	3.9
283.15079	1.0
285.10071	1.6
295.11575	0.9
357.11478	1.3
444.20792	0.9
459.12488	1.3
459.18307	8.2
460.19714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.05507	8.1
57.03429	2.2
57.07060	3.1
59.05000	2.3
67.05514	15.8
69.03428	7.8
69.07065	11.5
70.06582	3.6
70.26555	5.5
71.04627	1.7
71.04993	4.3
72.08160	2.8
79.05509	2.6
81.03423	4.2
81.07072	21.0
83.04996	11.5
83.08614	6.1
84.08150	1.9
85.02915	12.6
85.06548	4.9
91.05486	11.2
93.07049	16.6
93.17079	1.7
95.04950	5.3
95.08618	31.5
97.02902	7.0
97.06510	2.6
99.04494	2.5
99.08107	5.6
103.05474	4.0
105.07013	9.6
107.04962	2.6
107.08605	17.9
109.02911	3.1
109.06517	9.2
109.10163	74.9
111.08078	2.8
113.09668	1.9
117.07043	1.7
119.04966	2.8
119.08585	29.7
121.06513	11.2
121.10139	13.5
123.08086	7.1
123.11696	7.8
125.09627	5.1
127.03951	4.2
131.04907	2.0
131.08611	4.3
133.06511	2.1
133.10150	15.6
135.11702	72.8
137.05975	8.7
137.09645	14.5
145.02994	2.3
145.10097	2.3
147.04451	3.1
147.11696	4.0
149.13272	5.3
151.03885	2.0
151.07533	2.1
151.11188	7.8
151.14853	9.9
157.10118	2.1
159.08028	2.0
159.11656	2.9
163.03926	8.0
164.88789	1.9
165.09119	2.5
166.04965	9.5
167.05370	3.8
167.07048	7.8
175.14848	34.2
177.05437	4.9
180.06557	2.2
187.07591	1.9
187.14839	1.9
191.45322	1.8
193.15898	43.9
210.07607	3.4
211.16943	100.0
224.05614	2.9
238.07120	24.3
248.08968	10.4
249.09247	11.8
256.11798	5.4
257.12170	7.2
279.10132	2.4
279.23120	3.0
280.08200	18.2
292.17493	1.7
296.07712	2.6
297.07825	2.7
309.11325	2.3
324.56281	1.7
335.12573	1.8
386.12454	3.0
427.09985	6.0
459.12524	51.9
459.18790	3.8
459.25711	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	459.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53513	0.3
54.11488	0.4
56.05024	2.0
57.03429	0.6
67.05474	0.3
69.07068	7.1
71.57816	0.5
71.58191	0.4
72.04507	0.6
74.06084	6.8
74.36675	0.4
78.49432	0.3
84.08156	0.4
86.09707	100.0
87.10039	0.5
89.07140	0.4
91.05480	0.9
93.07064	0.7
97.07672	0.4
98.06068	1.1
99.77710	0.3
116.07110	0.8
121.06499	1.8
121.10142	0.6
122.06887	0.4
126.05518	7.3
126.06393	0.5
136.07613	0.5
137.06033	1.8
141.51497	0.3
144.06541	0.9
153.06595	3.7
157.13374	8.7
166.05072	0.9
167.07089	0.8
169.09711	0.9
173.62369	0.3
175.07498	0.3
185.12856	3.3
187.07507	0.5
189.05588	0.3
197.09222	15.3
215.10274	7.6
217.23764	0.4
237.08727	0.9
245.18602	5.8
265.08719	0.4
280.08209	0.5
282.18167	1.2
300.19193	11.9
328.18658	6.4
339.12378	1.2
351.12378	0.5
417.77124	0.4
427.67938	0.4
459.14160	1.1
459.26172	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3474
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.05514	6.5
57.07075	2.1
65.03939	1.1
67.05506	10.5
69.03426	1.8
69.07060	9.5
70.70052	2.9
71.04983	1.9
71.08610	1.0
72.43751	1.1
79.05492	6.8
81.07063	25.9
82.07400	1.3
83.04974	5.6
83.08618	6.5
85.06552	1.5
91.05483	7.1
93.07050	15.1
95.04955	2.0
95.08611	37.5
95.88472	1.1
96.08910	1.3
97.02905	1.6
97.06525	2.2
97.10165	4.1
99.68890	1.1
105.07030	13.2
107.08601	22.9
109.06518	2.6
109.10156	16.8
111.08054	1.9
117.07017	2.5
119.08587	19.5
121.06478	2.0
121.10156	20.0
122.10493	1.1
123.11703	7.7
125.09605	1.5
127.11170	1.1
131.04929	1.2
131.08580	6.1
133.10144	13.0
135.08057	4.3
135.11703	14.7
137.05977	1.7
137.09630	3.0
137.13263	4.6
138.08269	0.9
142.07822	1.5
143.08569	3.3
145.10156	8.9
147.11699	11.0
149.09625	3.1
149.13280	9.6
151.07568	1.2
151.11136	1.3
151.14816	4.6
153.09128	4.2
157.10147	5.7
159.07976	1.3
159.11699	8.4
161.09624	2.8
161.13283	8.8
163.11159	1.4
163.14835	7.1
167.10690	1.9
169.10098	1.7
170.11052	1.3
171.11688	3.5
173.09581	3.1
173.13286	7.8
175.11209	2.8
175.14841	7.4
177.12732	2.1
177.16354	6.8
179.10699	1.1
179.14342	5.2
183.11707	1.4
185.13272	3.3
187.11183	3.9
187.14781	6.7
189.12708	2.1
189.16374	8.9
191.14285	3.4
191.17957	9.8
193.15790	1.3
195.11800	1.1
195.13811	3.9
197.13206	1.9
199.14844	2.5
201.12726	1.1
201.16411	4.5
203.11029	1.0
203.14384	5.1
203.17995	6.3
205.15842	2.1
207.17471	1.8
208.17596	1.1
213.16457	1.7
215.14397	2.1
215.17923	3.1
217.15851	2.1
217.19464	2.0
219.13901	1.5
221.15369	2.6
221.19014	1.2
225.16359	1.0
226.55695	1.1
227.18025	1.5
229.15831	1.9
229.19516	1.6
231.17328	1.1
233.15349	3.1
233.19225	1.1
235.16925	2.5
241.19550	1.9
243.17464	2.9
245.19043	1.9
247.16994	1.1
249.18491	1.7
251.16331	6.5
257.18918	4.3
259.20633	1.1
267.21182	1.3
273.18509	3.5
275.20087	1.3
281.22546	1.3
285.18481	4.8
285.21970	1.2
287.20090	3.3
311.23755	1.6
313.21619	1.5
315.23080	1.4
325.25153	1.1
381.31454	8.2
395.33167	2.6
399.32486	2.3
405.31549	2.4
423.32516	44.0
429.37256	1.6
441.33542	100.0
442.33823	2.7
459.34424	30.1
460.26697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3474
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.30994	0.4
53.03938	0.5
53.88072	0.4
55.05507	2.4
56.96563	0.7
57.03429	0.4
57.07068	1.1
57.51190	0.4
65.03918	0.6
67.05519	3.1
69.03421	0.8
69.07066	2.6
69.91962	1.5
71.04990	0.4
79.05496	3.2
81.07059	6.9
83.04974	1.7
83.08611	1.9
85.02910	0.7
85.06550	0.9
91.05488	3.7
91.18895	0.3
93.07054	6.1
95.04992	1.2
95.08611	10.5
97.02866	0.7
97.06549	0.9
97.10165	0.8
98.97580	1.8
99.08083	0.5
103.05492	0.4
105.07035	7.3
107.08605	10.4
109.06537	1.6
109.10159	5.8
109.86434	0.3
110.97582	0.4
111.08096	1.1
116.98619	0.4
117.07034	0.8
119.04920	0.4
119.08587	9.2
121.06521	1.7
121.10144	7.7
123.08092	0.7
123.11707	3.8
125.09641	0.8
129.06989	0.6
131.08560	2.5
133.06531	0.5
133.10153	7.4
135.08070	2.5
135.11703	5.7
137.05980	0.6
137.09584	1.1
137.13248	0.9
143.08563	2.3
145.10117	4.2
147.08076	0.8
147.11700	5.2
149.09621	2.3
149.13245	2.0
151.11198	0.7
155.08522	0.7
156.09367	0.5
157.10112	2.6
158.99661	0.5
159.08099	0.8
159.11705	3.1
161.05899	0.4
161.09645	1.9
161.13268	3.0
163.11147	0.8
163.14836	1.5
165.09111	2.6
165.44626	0.3
169.10135	1.1
171.08112	0.9
171.11711	3.2
173.09612	1.1
173.13268	3.8
175.11214	1.5
175.14851	4.0
177.00783	0.5
177.12749	0.9
177.16406	2.4
179.14398	0.7
180.19368	0.4
181.10202	0.6
183.11769	1.1
185.09634	1.4
185.13297	1.3
187.11116	0.9
187.14824	4.2
189.12701	1.4
189.16406	5.1
191.10611	0.4
191.14348	1.0
191.17970	1.3
195.11667	0.8
197.13280	1.5
199.11256	0.7
199.14853	0.8
200.04440	1.0
201.12874	0.4
201.16368	1.3
203.14322	1.2
203.18091	0.6
205.12251	0.6
205.15840	2.1
207.17500	0.8
209.05156	0.4
211.14868	1.0
213.12840	0.4
213.16415	1.2
215.14412	1.1
215.17963	0.8
217.15828	1.0
217.19472	0.4
219.01804	1.3
219.13892	0.4
221.13258	0.4
221.15355	0.4
223.14793	0.5
225.16423	1.2
227.17969	0.8
229.15944	0.8
229.19540	0.4
231.17435	0.8
233.15437	1.5
235.16916	4.7
237.02838	1.5
237.16356	0.4
239.17931	0.8
241.15956	0.6
241.19472	0.5
243.17477	1.2
245.18805	0.4
251.18102	0.6
255.17529	0.7
255.20969	0.4
265.19513	0.5
269.19070	1.3
279.03986	1.0
287.20062	1.4
297.78516	0.5
305.21518	0.5
321.04919	0.7
329.24796	0.4
387.30200	0.5
405.31723	1.4
418.21097	0.8
418.71185	0.5
423.32568	4.0
427.21609	1.2
438.72589	0.6
441.33578	4.0
459.34726	100.0
460.35294	2.4
463.20828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Protoprimulagenin A
Peak:m/z	Relative Intensity
51.30691	1.7
52.49723	1.5
55.05500	4.4
64.15223	1.5
67.05502	6.9
69.07069	5.6
71.50185	3.3
76.09412	1.5
79.05484	3.0
81.07071	14.0
83.08620	2.2
89.46159	1.5
91.05511	2.4
93.07038	11.8
95.08606	18.8
97.10180	1.7
105.00469	1.6
105.07046	9.3
107.08585	15.7
109.06540	1.9
109.10174	16.5
117.07021	1.7
119.08598	12.5
121.10138	13.0
123.08088	2.1
123.11710	6.0
131.08580	4.5
133.10133	10.7
135.11699	18.7
145.10147	6.8
147.11690	9.0
149.13268	3.7
155.50648	1.5
157.10123	2.1
159.11740	5.2
161.13261	7.5
163.14890	5.3
173.13293	6.0
175.14851	3.2
177.16379	2.9
189.16382	18.2
191.17938	3.2
201.16374	12.3
203.17990	2.0
207.17426	24.9
215.17923	2.5
219.17447	73.8
233.19016	2.2
301.25598	2.1
401.17621	2.1
423.36157	5.5
429.17282	2.1
441.37329	100.0
442.37473	2.0
459.22278	19.4
459.38565	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	459.3835
Annotation	Protoprimulagenin A
Peak:m/z	Relative Intensity
53.03936	1.3
55.05516	4.7
57.07070	1.4
59.31138	0.8
67.05177	0.8
67.05509	10.7
69.07064	6.2
69.51633	1.7
69.52036	4.9
79.05494	5.3
81.07058	21.4
83.08608	2.6
85.06542	1.1
91.05475	6.1
93.07043	16.8
95.04964	1.9
95.08611	31.0
97.06547	1.2
97.10169	2.9
105.06409	1.3
105.07044	12.9
107.08596	23.8
109.06517	3.0
109.10157	18.9
109.10908	1.0
111.08079	1.7
111.11700	1.0
117.07011	1.5
119.08586	15.6
121.10154	19.3
123.08067	3.5
123.11703	7.1
131.08580	4.5
133.10117	14.2
135.08032	1.0
135.11693	22.7
137.09641	3.4
137.13321	2.6
139.11183	0.8
143.08574	1.3
145.10132	12.2
147.11700	14.1
149.13263	8.0
151.11203	2.2
157.10133	1.7
159.11681	9.5
161.13271	16.2
163.14838	7.6
165.12798	1.4
171.11613	1.2
173.13249	6.7
175.14862	5.2
177.16408	3.1
179.14308	1.3
185.13290	1.3
187.14841	3.2
189.16393	21.2
191.18010	2.6
201.16400	17.4
203.18033	3.2
207.17441	28.6
211.14777	0.8
213.16313	2.2
215.17932	4.9
217.19513	2.3
219.17448	85.6
220.17802	1.9
227.18109	1.1
229.19608	2.4
233.19022	1.5
233.65993	0.8
243.21124	1.8
261.22095	1.2
269.22766	2.1
283.24228	2.1
333.31705	1.1
405.35370	2.5
413.36862	1.4
423.36383	5.0
441.37308	100.0
442.37698	1.7
459.38388	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3848
Annotation	Protoprimulagenin A
Peak:m/z	Relative Intensity
53.03940	2.0
55.05510	4.4
57.07065	6.1
67.05505	14.9
69.07068	15.6
70.28118	1.7
71.04989	1.5
71.08646	3.0
71.39532	3.2
74.39352	1.2
79.05500	12.2
81.07060	22.4
83.08636	3.2
91.05473	9.5
93.07042	17.9
95.04975	3.9
95.08609	32.4
97.06525	1.5
97.10219	3.0
103.05484	4.2
105.07033	56.1
106.07282	3.3
106.07886	2.9
107.08607	24.5
109.06502	4.2
109.10158	24.0
111.08034	1.7
117.07037	3.2
119.08580	17.6
121.06474	4.2
121.10151	19.5
123.08054	4.8
123.11723	7.6
131.08566	6.7
133.06490	30.5
133.10127	17.9
134.07333	15.5
135.08076	60.0
135.11687	24.9
136.08397	9.6
137.08701	3.4
137.09695	1.7
137.13283	2.1
142.72014	1.5
143.08575	2.3
145.10132	12.5
147.11688	14.0
149.09602	1.8
149.13255	5.5
151.07539	15.5
151.11154	1.9
152.07939	1.5
157.10196	2.0
158.10832	1.6
159.11673	10.7
161.09674	2.2
161.13261	14.6
163.14865	7.0
164.07053	2.8
164.98116	1.4
165.03697	20.0
166.04053	6.0
167.03230	10.8
167.05266	3.9
169.04839	2.2
173.13306	8.0
175.14865	7.6
177.16399	3.5
179.05278	4.3
181.04808	4.0
185.13245	2.8
187.14825	4.7
189.16370	22.7
191.10669	1.7
191.14296	3.0
191.17989	7.3
199.14819	2.0
201.16405	18.5
203.17949	2.7
207.17439	28.4
213.16434	2.2
215.17969	3.8
219.17444	80.8
233.19026	2.2
243.20992	2.5
277.16165	9.0
278.16602	3.1
279.09708	4.2
279.15915	9.2
295.17291	43.0
296.17557	15.9
297.16928	45.1
367.39594	1.5
373.34201	1.6
405.34930	1.8
423.36209	8.6
441.37296	100.0
459.32446	2.7
459.38470	40.4
476.86667	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3836
Annotation	Kudzusapogenol C
Peak:m/z	Relative Intensity
50.30338	0.5
53.03933	0.8
54.83587	0.5
55.05508	3.8
57.03420	0.8
57.07075	1.9
67.05505	6.6
69.07069	8.8
71.01504	1.1
76.85449	0.6
79.05508	4.5
81.07059	16.0
83.08624	3.7
85.07641	0.6
86.09707	1.4
91.05470	6.4
93.07052	13.6
95.04939	1.0
95.08611	26.1
97.06541	1.4
97.10164	2.6
99.08066	0.7
105.06374	1.0
105.07032	10.5
107.08598	22.1
109.06515	2.2
109.10167	16.1
111.08084	2.0
111.11764	1.3
117.07017	2.8
119.08585	15.8
121.10143	15.5
123.08073	9.9
123.11692	5.9
125.05959	0.6
131.08585	5.8
133.10136	14.6
134.11682	0.6
135.08110	1.4
135.10689	1.0
135.11702	17.5
137.09583	3.3
137.13217	2.0
143.08528	1.1
145.10124	13.5
147.11688	11.5
149.09641	1.3
149.13260	5.5
151.11179	2.2
157.10150	1.9
159.11705	13.9
161.09627	1.1
161.13268	8.4
163.14818	5.7
165.12770	1.3
171.11697	2.5
173.13284	6.6
175.14850	5.9
177.12755	1.9
177.16405	2.7
179.14354	1.2
185.13283	2.3
187.14778	4.0
189.12747	1.2
189.16397	13.4
191.14299	1.3
191.17934	4.4
193.15880	0.9
199.14841	1.9
201.16373	9.8
203.17967	10.0
205.15921	1.2
205.19434	1.3
207.10284	0.9
207.17450	16.3
207.19386	0.9
213.16379	2.6
215.17973	12.7
217.19505	3.5
219.17424	8.1
221.19017	1.7
227.18015	1.4
229.19525	1.5
233.19019	9.1
237.18494	1.5
241.19545	1.1
243.21100	1.6
255.21155	1.3
257.22589	0.9
261.22202	1.2
269.22659	2.6
283.24274	1.4
287.23596	1.0
295.24133	0.8
301.25281	1.3
331.26334	14.0
345.23990	1.1
345.27853	13.1
350.18350	0.7
355.30087	1.8
367.30194	0.7
371.29575	0.8
405.35040	1.7
411.36224	1.2
423.36197	9.6
441.37311	100.0
442.37622	2.0
459.21561	1.3
459.38354	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	459.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12616	2.5
53.03940	3.9
54.24564	2.5
55.05515	16.7
56.96546	3.0
57.07076	6.4
57.84708	2.2
59.04997	6.0
65.03943	2.5
67.05509	31.5
69.03426	3.6
69.07078	29.3
71.04996	3.5
71.59061	2.5
75.04478	3.5
79.05135	2.0
79.05508	17.9
81.07065	56.9
83.04980	10.9
83.08629	11.4
85.02943	2.3
85.06543	9.4
87.04484	3.5
89.03871	2.3
91.05480	16.6
93.07056	48.2
95.04958	5.0
95.08616	100.0
97.02904	3.4
97.06525	6.3
97.10175	8.2
99.08144	6.5
105.07038	38.6
107.08601	68.9
109.10160	59.0
111.08073	5.0
113.05988	7.6
115.07565	3.2
117.07010	5.3
119.08590	53.0
121.06507	2.9
121.10150	57.5
123.08083	9.4
123.11713	29.0
125.09621	4.2
131.08586	14.7
133.10133	35.0
135.08038	4.7
135.11713	50.5
137.06026	2.7
137.09644	5.9
137.13226	14.5
141.09093	9.1
143.08545	4.1
145.10120	21.8
147.11716	27.1
149.09654	2.9
149.13277	40.0
153.12674	3.1
157.10129	4.0
159.08038	4.2
159.10204	7.5
159.11700	19.1
161.09619	5.1
161.13300	24.8
163.03932	3.1
163.11217	3.6
163.14850	19.4
165.09134	14.4
169.10197	3.9
169.12227	3.0
171.11678	8.3
173.13219	14.5
174.13699	2.4
175.11230	3.3
175.14886	17.4
177.12845	3.5
177.16400	12.8
179.14354	3.8
185.13268	4.8
187.14845	12.3
189.12814	2.9
189.16324	18.9
191.14371	4.9
191.17955	95.6
193.15836	5.1
197.13388	3.4
199.14853	5.1
201.16411	10.0
203.14331	5.0
203.17989	16.6
205.15939	3.1
205.19560	9.6
207.14023	2.4
207.17401	5.0
211.14807	2.7
213.16441	3.8
215.17943	9.6
217.15839	6.4
217.19539	7.5
219.17442	3.1
229.19566	3.7
231.17439	6.4
233.18987	8.2
237.02849	4.4
257.22736	3.8
321.05096	3.7
367.33493	3.8
383.33118	3.3
395.33224	2.7
423.32242	5.2
423.37085	4.6
441.32764	8.3
441.37338	15.9
459.33087	14.7
459.38605	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	459.3835
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03944	3.5
55.01875	3.4
55.05517	19.9
57.07074	3.7
57.55849	2.7
65.24378	2.2
67.05511	28.0
69.03442	2.5
69.07072	33.3
70.63248	7.6
71.05001	5.0
79.05495	20.8
81.07062	51.3
83.08613	23.0
85.06519	5.3
90.12644	2.2
91.05482	21.4
91.37724	2.3
93.07050	46.1
95.04994	2.6
95.08610	80.5
97.06514	5.7
97.10169	10.3
99.08093	15.2
105.07035	37.4
107.04898	2.9
107.08598	63.1
108.08920	4.8
109.06511	8.0
109.10165	51.7
111.08092	9.4
111.11739	2.7
113.09647	20.3
117.07018	5.9
119.08582	56.4
121.06551	5.9
121.09316	4.6
121.10149	56.2
121.11025	3.4
123.08055	6.4
123.11721	27.6
125.09648	6.9
127.07586	3.3
127.11199	9.4
129.09042	2.6
131.08571	14.8
133.10129	37.2
135.08031	7.2
135.11705	48.5
137.09633	8.6
137.13300	11.2
139.11174	7.7
143.08578	7.1
145.10124	26.4
147.11716	39.7
149.09674	5.3
149.13255	28.1
150.07268	2.3
151.11195	6.1
157.10123	10.8
159.11703	24.5
160.93178	2.3
161.09715	4.1
161.13281	28.4
163.03880	3.9
163.11246	2.7
163.14828	16.3
165.12766	18.8
167.14328	3.2
171.11691	5.6
173.13274	16.9
175.11127	4.1
175.14815	21.8
177.12701	5.3
177.16396	10.5
179.14331	10.8
183.11723	3.5
185.13260	7.5
187.14806	13.6
189.12817	4.2
189.16386	20.3
191.14273	5.3
191.17963	36.4
193.15910	10.8
199.14827	8.9
201.16365	14.3
203.14449	6.1
203.17955	21.0
205.15968	6.1
207.17537	10.8
213.16429	7.8
215.14517	2.6
215.17978	8.3
217.15781	4.0
217.19556	5.0
219.13982	3.5
219.17438	12.2
221.19046	2.9
227.17947	4.3
229.19450	4.8
231.17552	3.1
231.21211	4.5
233.15445	4.9
233.18956	13.1
237.18343	2.7
243.21136	3.0
255.21095	2.8
257.22668	3.3
269.22644	6.2
271.23871	2.5
281.39301	2.7
297.25851	3.3
395.33197	3.6
405.31287	5.0
423.31937	11.8
423.37128	31.3
441.32764	20.2
441.37219	57.5
459.39130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3837
Annotation	Argenteanol D
Peak:m/z	Relative Intensity
52.16553	3.4
55.05506	18.8
57.07071	7.7
63.72958	3.5
67.05503	27.1
69.07075	20.8
71.04995	10.0
71.08606	5.2
71.57999	5.2
72.04513	4.8
79.05504	17.5
81.07055	79.0
81.07526	7.4
83.08612	12.7
90.66712	3.9
91.05491	19.4
93.07047	42.7
94.03831	3.6
95.08608	100.0
97.10166	6.9
99.08067	4.9
103.27328	3.6
105.07042	30.7
105.07639	5.0
107.08601	78.2
109.10155	55.0
111.08067	6.2
115.07542	7.0
117.06986	6.2
119.08589	40.0
121.06482	8.8
121.10144	60.3
123.11719	36.2
125.09630	4.6
131.08556	10.9
133.10141	35.2
135.08090	3.6
135.11684	48.4
136.11996	4.2
136.74911	3.9
137.13266	23.6
138.34752	3.4
140.99385	4.0
143.44241	4.0
145.10097	17.1
146.98151	9.4
147.11717	39.0
149.13255	21.5
151.14851	4.4
153.43344	3.7
159.11736	18.0
161.13264	29.0
163.14874	19.3
164.07014	4.5
165.12769	6.0
173.13290	9.0
175.14810	16.5
177.16357	14.5
179.14270	7.4
187.14806	14.2
189.16394	26.6
191.17973	70.3
201.16409	12.1
203.17995	23.9
207.17409	16.2
213.16341	7.7
215.17934	8.9
217.19556	15.3
218.17303	4.2
227.18144	3.7
233.18964	10.0
243.20940	4.0
251.19936	4.9
257.22635	5.5
279.09766	5.6
279.14322	4.5
297.25781	29.1
299.27151	5.0
315.26846	20.9
327.30319	28.6
337.28842	10.5
345.31323	13.9
355.30005	36.8
373.31079	6.1
423.36230	7.2
441.37802	20.2
459.32132	6.3
459.38348	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	460.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05500	0.5
59.05006	0.5
70.91354	0.7
70.91731	0.7
79.05466	0.7
83.29627	0.4
87.04450	1.1
91.05495	3.6
91.65837	0.4
93.07047	3.7
95.04961	0.6
103.05477	3.6
118.06496	0.8
121.02850	0.9
121.06512	23.2
122.06046	0.6
122.06843	0.9
132.04453	0.5
134.06001	0.4
137.05951	1.1
146.05966	1.0
150.05557	2.2
153.05472	0.9
160.03922	0.8
162.05495	0.5
164.07085	13.5
176.07063	0.6
178.04999	1.1
178.08617	1.6
179.05476	0.4
180.06499	0.9
182.08156	0.4
193.07298	0.9
196.74660	0.4
204.06575	0.4
208.06079	0.4
209.06857	3.5
210.07616	3.5
220.06136	0.7
222.07602	1.2
224.05560	12.6
236.09172	0.5
238.07118	100.0
239.07379	1.0
250.10753	1.5
264.12326	16.2
264.15146	0.8
266.06561	4.0
280.08188	73.3
280.11493	3.7
281.08484	0.5
308.11267	2.3
322.48117	0.4
344.11432	0.6
386.12231	11.5
386.16116	1.2
418.14737	0.9
442.18491	2.4
460.20099	4.1
483.56796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07352	0.7
57.03426	1.2
57.07633	0.6
61.02935	1.1
61.95587	0.6
62.69726	0.6
69.03434	4.5
70.37439	0.8
70.37766	1.3
71.04986	0.9
73.02923	1.5
81.03406	1.7
85.02912	9.1
86.09724	0.6
86.61238	0.6
89.03954	0.8
91.05480	1.1
93.07068	0.9
97.02879	4.0
98.97583	2.5
101.00832	0.9
109.02876	1.2
109.06521	0.8
116.06931	0.7
116.98639	0.7
117.05765	1.2
118.06552	4.5
119.01932	0.9
120.04446	0.9
121.06512	1.6
123.05578	0.7
127.03896	3.1
134.09653	1.1
135.04399	1.5
136.06213	0.9
137.04628	1.0
137.05978	3.6
138.06296	0.7
143.01933	1.4
144.04445	5.9
145.02768	0.8
145.04994	2.0
146.06017	22.2
148.03920	1.4
152.05682	1.9
155.01950	1.2
158.99609	0.8
160.07594	1.5
162.05472	3.0
162.09251	0.9
163.03918	8.5
164.04271	1.3
166.07286	1.0
172.03963	2.2
174.54730	0.7
176.07079	4.7
178.08640	32.2
185.02939	1.0
188.07060	10.8
190.04997	2.1
190.08621	5.9
192.10120	1.0
204.06606	2.1
206.08119	9.6
216.06563	7.4
218.08061	0.7
220.09692	37.7
221.05061	1.4
222.11258	75.0
224.09326	0.9
234.07635	4.8
239.04381	0.9
245.04942	1.4
248.09200	26.0
251.06906	0.8
254.13922	9.9
266.10251	44.6
267.07840	0.6
280.11786	5.3
298.12866	59.7
358.10580	1.3
410.14462	2.0
428.15634	6.1
460.18158	100.0
461.18555	1.2
466.41516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1945
Annotation	5-Methyl-tetrahydrofolate
Peak:m/z	Relative Intensity
51.10040	0.5
69.56595	2.3
69.57000	1.0
84.04533	0.5
87.04469	1.2
91.05467	1.2
93.07022	1.4
93.64386	0.5
95.08622	0.8
103.05505	0.8
118.06567	0.5
121.06512	5.8
132.70441	0.5
134.06091	0.8
146.06007	1.5
164.07062	4.6
165.07802	0.6
166.08653	2.1
174.05321	0.5
178.05045	0.5
178.06859	0.4
178.07104	0.5
178.08629	3.8
182.08115	0.6
183.08774	0.5
189.80804	0.4
196.09755	1.2
200.06888	1.2
204.06607	0.7
208.09697	18.4
208.11621	1.0
209.10478	18.4
210.11232	0.9
232.09412	3.1
240.12314	6.7
264.08554	0.7
268.12009	1.3
280.08298	1.3
280.11874	2.6
290.10037	1.0
296.11533	0.8
308.11172	2.3
324.10834	1.5
328.13956	3.5
356.13452	2.8
380.14777	0.6
400.12433	0.5
412.17255	1.6
442.18408	100.0
443.18741	2.3
460.14401	17.8
460.19763	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	460.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
53.98719	0.7
55.05504	3.2
56.96555	1.6
59.19657	0.8
60.04546	1.0
67.05495	4.0
68.16792	1.0
69.06725	1.3
69.07070	19.8
71.04993	1.2
71.29883	1.1
73.02912	0.8
73.06573	1.0
77.21238	0.9
79.05500	4.6
80.88260	0.8
81.07052	4.4
83.08637	4.6
87.04463	2.3
91.05480	6.8
93.07046	16.1
95.08610	24.5
97.10127	1.4
103.05466	3.4
105.07041	2.8
107.08600	22.2
109.10154	9.4
119.08601	1.7
121.06510	28.8
121.10146	42.9
123.22318	0.8
135.11703	6.5
146.06013	1.2
149.13232	4.1
150.05530	1.2
152.07086	1.8
163.03912	1.0
164.07074	3.2
177.16397	100.0
178.08594	2.3
223.66037	0.9
238.10825	0.9
248.09277	2.0
262.10855	1.3
266.10263	20.6
278.13635	1.2
279.14334	1.1
280.08755	1.0
280.11804	7.5
280.14529	2.1
290.10098	1.5
308.11230	9.0
350.92896	0.9
354.11157	1.0
386.15973	15.8
428.16760	1.9
460.19669	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	460.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05510	3.2
57.07089	1.0
65.03945	1.2
67.05502	8.1
69.06716	1.3
69.07071	16.7
69.28719	4.2
69.29140	3.2
77.06541	0.8
79.05497	4.7
79.52395	0.8
81.07069	6.7
83.08611	5.1
85.02910	1.4
87.04465	2.2
88.77865	0.9
91.05487	5.4
93.07053	17.6
95.04974	1.3
95.08611	65.0
97.02914	0.9
103.05471	2.0
105.07060	4.7
107.08603	29.5
109.10165	14.5
119.08560	1.5
121.06518	18.4
121.10151	52.4
123.08070	0.9
133.10172	1.0
135.11719	6.7
149.13306	5.4
152.07118	1.2
164.07050	2.7
174.43236	0.9
177.16397	100.0
178.08678	2.0
180.06593	8.3
204.06538	0.9
220.09680	1.5
224.09163	2.6
230.23616	0.8
238.10756	26.7
240.16179	1.0
256.14746	0.8
266.10178	3.9
267.09256	1.0
280.11832	26.3
308.11316	3.3
368.56824	0.8
386.15900	5.3
460.19720	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	461.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.1
51.05697	1.3
53.03954	10.8
55.01871	5.2
55.05500	2.6
57.03441	9.0
57.51558	1.0
61.02918	2.8
65.03931	1.7
67.01868	1.5
67.05484	2.0
68.99797	9.4
69.03433	39.3
70.88570	2.2
70.88931	1.5
71.01335	3.2
71.05004	6.8
72.08154	16.8
73.02903	3.8
74.06083	1.3
74.30781	0.8
79.05486	1.4
81.03423	60.7
81.07044	1.0
83.01334	1.3
83.04986	6.1
84.08135	3.2
85.02908	72.0
87.00838	20.0
87.04471	1.2
89.19452	1.0
91.05479	2.1
93.03400	1.1
93.64103	0.9
95.01315	1.6
95.04972	2.4
97.02283	2.0
97.02901	37.0
98.21130	1.9
99.03825	1.5
99.04459	17.7
103.03951	4.3
105.01865	5.2
107.04916	2.0
109.02885	56.1
111.00749	1.4
111.04446	6.2
113.02364	1.9
115.03930	1.9
119.04922	2.0
121.02852	1.4
123.04436	5.9
125.02345	5.2
127.03924	100.0
127.77365	0.9
129.01804	3.1
129.05537	1.3
133.06483	2.2
135.04393	3.2
137.02364	2.1
137.05975	5.2
139.03902	2.7
141.05435	1.2
145.04951	3.8
146.06013	1.9
147.02960	1.0
147.04414	2.5
147.06364	1.2
150.72365	1.1
151.03914	7.1
159.02896	1.8
161.05981	1.4
163.03848	3.2
165.05515	2.5
169.04973	2.5
171.02917	12.1
173.04491	1.8
177.05502	1.2
178.08606	2.4
181.04930	1.1
187.06013	4.3
189.03958	23.8
189.05472	2.4
191.03316	1.2
193.04953	3.6
195.02927	1.0
204.75854	1.0
207.06415	2.0
209.10306	1.1
213.03975	12.4
217.04971	3.8
231.04933	6.7
235.05980	4.1
236.09079	1.2
253.07010	3.0
255.05063	2.4
271.08130	1.4
273.05786	1.1
313.39954	1.1
321.05875	1.2
339.07166	10.2
357.08109	3.8
390.15384	4.5
404.58273	1.1
425.06802	1.9
443.08426	6.4
461.09409	5.5
461.15219	1.3
461.22610	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1425
Annotation	Nap-His-OH
Peak:m/z	Relative Intensity
55.05515	0.7
55.78376	0.3
67.05508	0.9
69.03429	0.5
69.07056	0.8
69.70349	0.9
69.70755	2.3
70.06602	0.7
81.07053	1.8
85.02907	0.5
91.05492	1.0
93.07047	1.6
95.08619	1.4
98.45940	0.5
103.05510	0.6
105.07053	0.6
109.10172	1.3
119.04954	0.6
119.08584	1.0
121.06524	2.6
121.10187	0.5
126.97219	0.4
128.06223	0.6
129.07010	2.8
131.04910	0.7
132.51729	0.4
135.11615	0.6
137.06003	2.2
143.04659	0.5
147.08067	1.1
149.06039	0.5
157.06493	0.9
161.05994	0.4
163.04024	0.6
163.07541	0.9
175.07552	6.4
177.03963	0.4
188.48108	0.4
189.09154	0.6
224.09113	1.0
266.10309	1.2
284.20102	0.5
285.20483	0.8
299.25909	0.6
323.07446	1.0
341.08344	1.9
415.13452	1.9
443.13165	13.0
461.14194	100.0
461.27017	3.2
462.14572	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
53.03936	0.5
55.01860	0.3
63.02374	0.7
65.03935	0.9
69.03436	0.6
71.04990	0.5
71.16833	0.6
77.65620	0.3
79.05499	1.6
81.03419	3.9
81.07063	0.3
85.02905	2.1
86.06078	3.7
87.06394	0.7
89.03925	7.4
91.05486	13.9
93.07042	0.8
93.82883	0.3
95.04978	0.4
97.02890	3.9
103.05468	0.7
105.07018	0.7
107.04951	2.2
109.06517	0.6
115.05446	0.7
116.66763	0.3
117.03385	8.1
119.04947	9.2
121.06496	2.5
123.04433	3.6
127.03954	0.3
128.06264	0.5
129.07002	1.0
131.04918	0.7
133.06531	0.4
135.04424	15.9
137.05984	24.4
143.04919	0.5
143.08524	0.7
145.02855	12.7
145.04002	0.7
145.06488	0.5
146.06029	0.8
147.04420	6.8
149.05962	2.4
151.07564	1.0
153.07104	0.6
157.06497	0.7
161.06006	1.5
163.03914	100.0
164.04256	1.1
165.05484	30.9
167.07031	1.9
171.08098	0.7
173.05998	0.9
174.25642	0.3
175.07588	1.4
177.05476	0.4
178.08565	0.8
179.07069	1.3
181.05080	0.5
181.06549	0.9
185.05969	0.6
187.07588	0.4
189.05478	3.9
189.09181	0.6
191.07002	0.9
195.06511	0.3
199.07520	1.0
203.07095	1.6
205.08534	0.5
207.06528	1.0
215.07008	0.9
217.08600	1.2
218.08066	0.4
219.06581	0.4
221.08209	0.7
222.07530	0.4
227.06990	0.6
233.08142	2.2
234.07558	0.6
238.10747	0.5
245.08131	4.2
247.05948	0.4
248.09308	0.8
250.10814	1.8
263.09195	2.8
265.07120	0.9
276.08655	0.4
281.10226	0.7
294.09750	2.2
307.07855	0.4
313.45367	0.3
324.10843	0.4
376.16983	0.5
418.75058	0.4
443.13483	0.7
461.14478	4.7
461.21820	1.2
462.17621	4.7
483.44955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01879	0.9
55.63025	0.3
56.08071	0.4
60.81546	0.4
63.02390	0.7
65.03938	0.4
69.03414	1.0
71.59222	0.4
79.05507	1.7
81.03436	3.4
85.02908	2.1
87.04467	0.8
89.03924	8.0
91.05493	5.3
93.07053	0.7
95.04967	0.8
97.02884	1.1
103.05470	0.8
105.07035	1.5
107.04942	2.5
107.08581	0.4
109.06499	0.5
114.14030	0.4
115.05439	1.0
117.02615	0.7
117.03393	11.3
119.04950	5.1
121.06494	2.5
122.37894	0.3
123.04433	4.0
127.03943	0.5
127.07413	0.3
128.06305	0.4
129.06995	1.3
131.04912	1.3
131.08545	0.5
133.06490	1.6
135.04424	19.3
137.05981	8.3
141.07002	0.5
143.04898	0.4
143.08617	0.7
145.02855	14.3
145.03914	0.6
145.06471	0.8
147.04427	10.3
147.08092	0.4
149.05974	2.2
151.07529	1.2
153.07036	0.5
153.78177	0.4
157.06516	1.2
161.05959	2.4
163.03915	100.0
164.04303	0.9
165.05489	39.3
167.07047	2.0
169.06450	0.6
171.08081	0.7
173.06017	1.1
175.07555	2.1
177.05450	0.9
179.07066	1.3
180.06531	0.6
181.04968	0.6
181.06511	0.8
185.05989	0.8
189.05450	4.5
189.09161	0.6
191.06999	1.9
197.05922	0.4
199.07616	1.0
201.05522	0.7
203.07019	2.3
204.10127	0.3
207.06548	1.6
215.07034	1.5
217.08632	1.7
221.08089	1.4
224.09232	0.9
227.07079	0.8
233.08130	1.9
235.09598	0.5
245.08101	4.2
247.06129	0.5
263.09146	2.9
264.08585	0.4
265.07071	1.2
266.10248	2.4
276.81879	0.4
281.10297	0.9
292.08075	0.4
310.09186	1.2
311.29297	0.4
443.13217	0.5
461.14413	2.9
462.16980	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01874	3.9
55.05510	33.3
57.07078	76.7
67.05510	17.2
69.06715	4.4
69.07073	57.3
69.42091	14.7
69.42506	3.2
71.04990	7.0
71.08633	54.5
79.05508	14.6
81.07059	92.5
83.04976	7.0
83.08625	38.1
85.10191	19.7
91.05485	11.7
93.07052	14.8
95.08615	69.0
97.10172	30.6
98.21481	4.8
99.04443	14.6
105.07011	11.6
107.08588	20.0
109.06519	21.2
109.10155	33.1
111.04453	9.5
111.08073	2.7
111.11727	21.5
113.18407	2.5
117.07050	4.7
119.08575	10.2
121.06534	6.5
121.10150	16.5
123.08078	7.1
123.11707	19.7
125.06002	9.3
125.13279	7.9
127.03921	25.5
129.07060	2.5
130.07822	3.0
131.08528	13.0
133.06474	5.5
133.10110	6.7
135.08081	10.0
135.11676	6.4
137.05980	100.0
137.13269	6.3
138.04726	2.1
144.09337	4.5
145.10136	18.4
147.08005	3.4
147.11705	6.1
149.05995	4.4
149.09656	9.1
149.13290	4.3
151.07562	25.7
151.14783	7.6
153.05452	3.9
155.08542	4.4
156.09369	3.3
157.10207	4.4
158.07291	5.5
159.08015	5.1
159.11707	35.9
161.09671	7.1
161.13310	3.7
163.07553	5.4
163.11159	7.1
163.14798	4.7
165.09183	8.4
165.16502	3.4
167.07034	7.3
169.10159	6.9
171.11716	8.4
172.08780	12.1
173.09634	84.2
173.13322	6.5
175.07617	3.9
175.11214	12.2
177.09125	15.8
177.12697	4.8
179.07062	6.5
179.10680	2.6
183.11661	4.7
185.13206	2.7
187.11185	61.1
188.11810	2.3
189.09058	3.6
189.12822	3.9
191.10674	13.8
193.08624	13.9
201.09158	3.3
201.12794	8.0
203.10808	2.8
205.12277	32.9
215.10674	8.2
217.12277	6.7
219.13786	12.3
229.12321	8.3
229.15939	5.4
243.17444	3.4
245.15289	4.5
261.18619	3.1
277.28909	11.9
317.32175	4.0
334.78201	2.4
335.32910	11.4
341.28534	3.7
383.33124	70.7
397.34631	25.5
401.34192	71.3
407.33298	3.2
415.35867	3.4
419.35278	4.6
425.34131	20.3
443.35208	38.7
461.36237	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	461.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85079	4.3
55.01864	7.0
55.05515	32.9
57.06822	5.5
57.07080	70.2
59.14592	4.2
67.05504	21.1
69.07067	73.4
70.16305	13.8
71.04987	9.4
71.08633	47.1
78.74340	5.1
79.05485	23.2
81.07059	100.0
83.04987	9.2
83.08617	44.9
85.10187	28.7
91.05472	13.1
93.07044	27.3
95.04985	5.1
95.08611	59.9
97.10178	40.5
99.04459	27.3
105.07042	16.3
107.04935	8.5
107.08598	16.5
109.06517	32.0
109.10165	36.8
111.04494	5.2
111.11732	19.2
117.07037	4.1
119.08590	10.8
121.06494	19.6
121.10146	17.6
123.04440	13.0
123.11709	18.0
125.05977	12.0
125.09598	6.2
125.13316	6.7
127.03039	6.3
127.03931	48.5
131.08591	7.8
135.08055	7.2
135.11681	6.8
137.05977	89.2
137.13245	12.6
139.14714	4.1
145.10129	18.6
149.06012	22.5
149.09642	9.6
149.13235	9.1
151.07558	23.5
152.08159	4.7
153.05487	7.7
155.08430	5.6
159.11691	28.6
161.09692	5.2
163.07491	5.4
163.11218	5.1
163.14873	11.1
167.07074	8.3
169.10190	5.2
172.08865	6.7
173.09637	64.4
175.11154	10.1
177.05478	80.1
177.09084	12.1
177.12779	6.1
179.07048	7.9
183.06563	23.8
187.11247	39.3
189.09007	8.0
191.10704	12.5
191.17987	5.5
193.08630	7.8
195.06529	68.5
201.08861	4.2
205.12283	18.9
219.10425	4.4
237.11102	5.0
247.24229	5.1
251.12888	7.3
265.14352	4.2
317.32098	5.6
331.38406	5.1
335.33060	9.2
353.40448	4.3
383.33130	38.9
397.34479	15.4
401.34180	85.5
419.34995	14.9
425.34351	9.5
443.35110	32.4
461.36310	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	461.3627
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03947	2.5
55.05512	26.4
57.06826	3.6
57.07079	43.8
67.05510	19.8
69.03437	2.0
69.06723	3.5
69.07073	51.2
71.08640	31.3
79.05488	9.5
80.02856	1.7
81.07063	70.8
83.01342	13.5
83.04977	2.7
83.08627	35.2
85.10192	15.5
91.05476	12.6
93.07051	16.4
95.08612	72.7
97.02881	3.7
97.06501	3.4
97.10181	33.5
98.21294	2.2
99.04475	6.6
105.07021	12.6
107.04926	2.1
107.08570	11.5
109.06551	15.6
109.10157	49.3
111.08089	2.0
111.11722	17.6
115.03964	2.6
117.07021	5.1
119.08582	10.6
121.06540	8.9
121.10151	10.4
123.08088	15.4
123.11724	34.6
125.06010	8.7
125.09579	2.0
125.13287	6.9
127.07584	3.1
131.08583	24.4
133.06482	3.2
133.10124	7.9
135.04425	2.7
135.08086	10.7
135.11700	5.3
137.05986	38.8
137.09645	4.9
137.13281	15.2
139.07520	14.2
139.14886	2.3
141.07021	3.6
143.08632	2.2
145.10138	12.7
147.08073	6.6
147.11696	4.6
149.05989	20.4
149.09627	5.9
149.13304	3.0
151.07549	64.2
151.11147	1.9
151.14842	10.8
153.05473	8.5
157.10161	5.2
159.08040	9.3
159.11761	12.4
161.06003	5.2
161.09602	5.9
161.13254	2.9
163.07541	14.3
163.11215	5.1
165.05499	2.1
165.09123	26.0
165.16406	6.7
167.07063	4.1
169.08681	4.3
171.11703	3.5
173.09625	10.2
173.13297	6.3
175.07555	8.2
175.11198	5.1
177.09109	38.5
177.12744	4.0
179.07069	3.6
179.10654	15.9
179.17949	4.2
185.13188	2.4
187.11174	9.7
187.14835	3.9
189.09087	5.3
189.12698	3.2
189.16496	2.9
191.10696	28.0
191.14325	2.7
193.08620	23.3
193.12318	4.4
193.19530	3.2
194.62898	1.8
195.06528	3.6
199.14743	2.6
201.12808	6.5
203.10721	4.3
203.14349	3.1
205.12263	19.0
207.10184	6.8
207.13837	4.2
207.21178	4.7
208.21227	2.6
215.10774	2.1
215.14331	4.4
217.12231	3.3
219.10301	2.8
219.13805	12.0
221.11734	7.8
229.12239	4.5
229.15929	5.3
233.11713	3.1
233.15379	5.5
235.13280	4.2
243.13805	4.6
243.17589	2.1
245.15329	4.0
247.13272	4.5
247.17043	5.5
257.18997	2.6
261.14838	9.1
261.18549	7.0
263.27350	34.0
263.29941	3.5
271.17038	2.7
271.20596	2.7
275.16440	6.4
275.19894	3.9
289.18018	7.5
289.21500	4.1
299.20370	2.6
303.19699	4.5
303.23138	2.6
317.21158	6.0
331.26367	2.6
333.24240	2.1
345.27902	4.9
359.25778	3.9
371.29373	4.8
373.27383	4.4
383.33249	8.6
387.28970	3.3
397.34769	11.4
401.34216	59.4
407.33102	2.0
415.35767	22.5
417.37558	3.2
425.34103	22.0
433.23932	4.4
443.35187	92.3
461.23236	19.0
461.36288	100.0
462.36237	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	461.363
Annotation	Topsentisterol C2
Peak:m/z	Relative Intensity
53.03942	3.6
55.05513	33.7
57.06820	4.4
57.07080	51.8
59.57038	2.6
60.29590	2.7
67.05511	30.4
69.03425	3.6
69.06734	3.7
69.07079	58.5
69.86690	14.0
70.91377	2.6
71.08636	40.0
79.05489	9.3
81.07066	79.6
81.88530	3.0
83.01344	15.4
83.08623	48.8
83.97524	2.5
85.10182	15.5
91.05487	16.7
93.07040	20.0
95.08612	84.3
97.02853	3.5
97.10175	34.1
99.04462	6.3
105.07036	12.3
107.04980	2.8
107.08599	14.3
109.06535	19.6
109.10165	43.9
111.08061	4.9
111.11744	19.2
117.07021	7.8
119.08600	12.1
121.06493	15.2
121.10141	11.3
123.08080	18.1
123.11721	38.0
125.05990	11.9
125.13264	6.8
127.07557	5.9
129.07014	4.7
131.08580	28.2
133.06487	3.7
133.10104	6.1
135.04367	2.7
135.08044	9.0
135.11751	4.9
137.06001	41.5
137.09598	3.4
137.13251	14.8
139.07552	13.8
141.06984	3.9
143.08527	3.4
145.10152	17.2
147.08038	4.9
147.11681	6.3
149.06000	26.4
149.09615	9.1
149.13228	5.5
151.07553	68.2
151.11284	3.2
151.14816	13.1
153.05460	5.0
153.16400	3.2
157.10068	5.5
159.08075	10.1
159.11697	15.4
161.05910	2.7
161.09642	10.1
163.07573	17.0
163.11137	6.0
165.09134	29.0
165.16341	5.7
167.07104	4.8
169.08583	4.6
169.09990	3.0
171.11649	3.7
173.09636	19.4
173.13284	5.2
175.07594	8.0
175.11143	8.6
177.09117	44.5
179.06947	2.8
179.10683	10.7
179.17973	6.5
187.11226	15.9
187.14723	4.0
189.09109	7.3
189.12724	2.7
191.10710	26.7
191.14287	3.1
193.08615	23.2
193.12218	5.2
193.19478	3.2
199.11005	2.8
201.12720	10.0
203.10648	6.4
203.14307	3.8
205.12300	18.6
207.10194	6.4
207.13759	3.7
207.21149	3.4
211.14932	2.9
213.12712	3.0
215.14267	3.5
219.10313	3.6
219.13789	11.9
221.11803	5.9
229.12222	5.0
229.15906	3.2
233.15326	7.2
243.13820	7.5
245.15483	3.5
247.13416	4.2
247.16983	7.2
249.14833	2.8
257.18964	2.9
259.16885	3.4
261.14847	7.6
261.18628	5.5
263.27365	35.9
271.17004	3.7
275.16541	6.4
275.20123	5.9
289.17978	5.4
303.19684	4.3
311.29599	5.0
317.21069	6.1
331.22885	5.1
331.26297	3.2
339.88846	3.0
345.24203	3.9
345.28085	3.0
359.25797	4.3
371.29318	7.8
383.33121	9.1
387.29160	5.7
397.34732	15.3
401.34198	55.3
407.33896	2.8
415.35764	29.1
425.34152	18.5
433.23984	3.0
438.79028	2.7
443.35309	100.0
444.35983	2.6
461.23181	14.3
461.36218	71.5
462.35922	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	461.3628
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03944	4.3
55.05262	3.9
55.05512	48.9
57.07079	27.2
58.71179	2.1
59.24850	2.0
60.11305	1.9
67.05502	30.7
69.07070	74.3
70.84078	4.6
70.84398	2.0
71.08637	11.7
77.24500	2.2
79.05486	12.6
81.07059	66.9
83.04983	5.2
83.08624	46.4
85.06521	2.9
85.10181	4.8
85.16602	2.2
91.05490	15.3
93.07046	24.7
95.04961	3.6
95.08610	57.0
97.10178	27.5
105.07033	18.4
107.08595	24.4
109.06532	5.0
109.10175	30.6
111.08067	4.6
111.11738	13.4
117.06999	4.2
119.08576	24.5
121.06516	14.4
121.10155	22.5
121.82903	2.1
123.08059	12.7
123.11720	15.5
125.06016	2.9
125.13240	4.2
131.08568	9.7
133.10127	12.4
135.08058	16.7
135.11703	10.3
136.08737	2.0
137.09595	6.5
137.13261	8.5
139.07550	8.9
143.08562	8.4
144.09294	3.0
145.10101	11.1
147.08054	7.2
147.11676	13.0
149.05983	77.0
149.09633	8.5
149.13219	6.3
151.07545	4.4
151.14883	2.3
155.08490	2.5
157.10095	11.9
158.10741	2.3
159.08109	2.9
159.11700	16.6
161.09601	15.2
161.13257	8.0
163.07532	4.0
163.11131	3.8
163.14835	3.8
165.09114	20.2
167.07053	100.0
169.08607	8.0
169.09978	2.4
171.11740	11.1
173.09657	5.8
173.13248	9.8
174.10382	3.5
175.11185	26.7
175.14793	4.1
177.09108	3.7
177.12733	4.7
179.10655	4.5
180.09846	4.0
181.08600	2.9
182.08215	2.2
183.11636	3.0
185.13301	5.3
187.11218	9.0
187.14842	6.1
189.12741	21.7
189.16286	3.0
191.10602	3.0
191.14304	4.9
191.17957	2.8
193.12262	3.3
199.14850	2.7
201.12740	11.4
203.10725	7.1
203.14285	10.9
205.12268	4.6
207.10123	6.0
207.13844	2.7
215.14334	5.2
217.12213	2.6
217.15936	4.0
221.11740	11.7
231.13809	3.3
233.11751	3.3
233.15392	4.3
235.13271	20.3
245.15326	3.3
247.13286	9.9
249.14899	4.6
256.21396	2.2
261.14832	4.7
275.16129	2.7
285.18542	2.6
291.19641	4.2
305.21158	7.0
361.27390	3.2
369.27704	2.5
379.33554	3.0
381.34882	3.1
397.30161	2.8
397.34711	23.4
399.36243	6.4
401.34122	6.5
407.33264	3.0
412.64575	2.6
415.35583	22.3
425.33762	16.7
443.35040	40.8
461.30914	6.8
461.36273	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	462.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03952	2.7
57.44028	0.4
62.59332	0.3
65.03925	0.4
69.30335	3.5
74.39587	0.3
77.03894	0.4
79.05483	1.0
81.03405	0.4
86.09641	0.3
91.05486	11.5
93.07050	10.3
95.04977	2.2
103.05481	9.0
104.04963	0.6
105.04507	0.7
105.07012	0.8
106.06538	1.2
107.04992	0.5
107.07325	0.6
117.05743	0.5
118.44778	0.3
119.04951	1.8
121.06514	44.6
132.04460	0.9
133.05217	0.4
134.06044	3.6
137.06000	3.6
144.04463	1.5
145.39600	0.3
146.06010	0.6
146.13910	0.4
148.07635	0.6
150.05502	0.4
150.09117	0.6
152.07053	0.5
160.03938	3.2
162.05518	10.8
164.03479	0.3
165.07808	0.4
166.08675	1.1
176.07068	2.3
178.04985	3.5
178.06282	0.4
178.08582	2.0
180.06540	1.2
188.07158	0.9
192.06557	3.0
194.08144	18.3
195.08769	0.5
204.06567	3.2
206.08153	3.2
208.05951	0.4
210.11322	0.5
220.09709	4.0
220.46181	0.4
222.07654	7.3
222.11172	4.5
224.09181	2.0
234.07613	0.3
236.07352	0.3
236.09192	14.9
238.10748	45.2
248.09062	0.4
250.07184	1.3
264.08649	2.2
266.10278	2.9
268.08115	3.1
282.09753	37.9
298.12888	4.2
308.11310	1.2
310.09128	0.6
318.10645	0.4
342.11728	2.4
402.15433	1.7
444.16635	0.4
462.17630	100.0
463.18112	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.176
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.5
71.58085	1.9
79.05486	1.7
79.91584	1.2
81.07043	2.2
81.44552	1.0
87.04437	2.1
91.05482	38.1
93.07015	1.4
95.08608	1.8
98.97568	1.2
109.06512	2.4
119.04941	21.0
120.04443	1.8
121.06499	3.6
137.05981	88.8
138.82603	1.0
148.03949	1.6
151.06345	2.0
151.07536	5.0
152.07027	3.0
164.07028	1.3
165.09143	2.3
166.05003	12.5
180.06551	28.3
190.08681	1.3
192.06551	8.6
194.08115	2.2
206.06296	2.0
206.08141	26.4
207.08867	1.6
208.09729	1.8
210.07622	69.7
220.09828	1.4
224.09183	100.0
225.09581	1.2
234.07631	1.4
238.10703	2.0
252.08681	59.6
266.10248	99.9
266.28934	1.1
267.10529	1.4
294.06549	1.6
294.09711	25.3
311.09897	1.1
328.11630	1.3
346.12759	5.9
388.13940	54.9
388.18970	2.7
402.15381	1.8
430.14944	3.7
444.13516	1.3
462.14651	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	462.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01870	0.5
70.39981	1.3
76.20887	0.3
77.03927	0.7
81.54483	0.4
91.04903	0.6
91.05479	10.0
91.06344	0.4
93.07044	13.6
95.04953	2.4
103.05472	10.3
105.04501	1.6
106.06566	0.8
107.07362	0.4
120.04455	0.6
121.06507	47.9
132.04422	0.3
134.06035	1.9
144.04483	1.3
152.07057	0.7
160.03949	1.5
162.05490	6.4
164.07047	0.4
166.08691	0.9
176.07079	1.0
178.05031	2.1
178.08676	0.5
180.06581	1.0
188.07108	0.7
192.06557	2.0
194.08138	14.8
196.09712	0.7
204.06564	2.5
206.08173	3.1
208.09695	0.6
210.07622	1.0
220.06160	0.4
220.09680	2.1
222.07632	8.2
224.09215	2.3
225.09985	0.8
232.06235	0.5
236.09178	12.3
238.10742	33.5
240.08754	0.5
250.07187	1.4
254.10240	1.1
264.08646	4.7
268.08163	0.6
280.11807	5.3
282.09741	10.2
298.12839	7.4
310.09161	0.9
324.10788	22.1
342.11838	3.1
360.14609	0.4
462.17603	100.0
463.18216	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58387	0.7
53.03922	2.5
60.68076	0.8
65.03926	1.1
71.53489	1.2
78.70713	0.7
81.03377	0.8
87.04472	16.5
88.35896	0.7
89.03899	1.5
90.04202	1.2
91.05491	16.2
93.06583	1.0
93.07047	11.2
95.04937	1.0
100.11221	3.2
103.05484	8.5
105.04527	1.1
107.04959	1.0
107.07288	1.4
108.08044	1.0
109.85670	0.8
117.03355	2.6
118.06524	3.1
119.04915	3.2
121.06510	44.9
123.04391	1.1
130.06476	1.0
131.04965	0.8
135.04362	2.8
136.04726	1.7
136.07504	2.5
137.05992	9.9
144.04396	1.1
144.08046	1.1
145.02832	1.3
146.03223	1.1
146.05965	3.3
147.04346	1.6
148.03876	2.1
151.06253	1.0
152.07025	2.7
163.03917	18.5
164.03081	0.9
164.04259	10.5
165.05475	7.9
166.05759	3.2
170.05981	1.5
172.07530	4.6
176.07037	1.3
178.08562	2.4
180.06563	31.4
186.05363	1.0
188.07005	1.4
194.08049	1.1
196.09592	0.9
202.04939	0.9
202.08582	2.3
204.06500	2.7
204.10193	13.8
208.09731	0.7
210.07503	2.7
210.14833	1.5
216.06465	1.9
218.08089	9.8
220.05992	2.6
220.09454	1.0
222.07593	1.0
224.09184	27.1
232.05974	2.1
233.62476	0.8
234.07677	5.1
236.06969	1.0
236.09177	15.8
238.07054	1.0
238.10652	1.9
248.09135	3.0
250.06979	3.1
250.14343	1.6
252.08673	4.7
260.05441	2.8
262.06976	2.0
264.08685	10.2
266.10248	100.0
278.06442	2.5
280.08078	2.0
282.09818	1.8
292.08173	8.3
294.09964	1.0
294.13229	1.0
298.12723	2.1
308.37799	0.9
310.09213	49.1
324.10605	3.4
326.15909	3.7
388.13968	9.1
430.14606	2.6
453.34348	1.8
462.17276	82.1
463.17545	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23726	0.5
58.38680	0.5
65.03938	2.1
69.03438	0.7
70.06583	1.1
71.58641	0.7
78.35799	0.5
79.05465	0.6
81.07063	0.6
87.04470	41.4
91.05485	26.7
92.04975	0.7
97.02893	1.3
100.16953	0.5
103.05488	0.6
107.07342	0.6
108.08105	0.8
108.15634	0.5
109.06519	1.3
119.04947	13.8
120.04455	1.8
121.02872	2.1
121.06479	1.5
132.08130	0.7
137.05984	58.4
138.05486	6.0
138.06416	0.8
148.03943	3.6
151.06303	1.6
152.07065	5.8
156.06625	1.1
160.07565	1.9
164.07156	0.6
166.05013	10.9
166.55815	0.6
178.23196	0.5
180.06566	50.8
188.07072	13.5
188.09189	2.1
190.08589	0.9
200.05515	0.8
210.07574	1.0
216.06546	6.0
222.07724	0.8
224.09204	8.9
248.51028	0.6
250.10895	0.7
252.08687	44.2
266.10248	100.0
267.10648	1.2
276.08624	1.3
294.09717	37.7
295.09778	0.7
308.11252	1.0
326.12134	1.2
388.13913	20.2
430.15057	6.3
462.17120	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.8
59.83052	0.4
67.05489	0.5
69.07003	0.5
71.09003	1.0
71.83588	0.4
79.05440	0.7
81.07000	1.3
84.04450	0.5
84.08102	0.5
87.04472	2.3
91.05486	7.3
91.44209	0.4
93.07062	2.6
95.08553	1.7
103.05437	1.7
107.07314	0.8
107.08535	0.5
109.10131	0.5
113.09614	0.7
118.94444	0.5
119.04955	2.6
120.04424	1.0
121.06512	7.7
133.10077	0.6
134.59270	0.4
137.05009	0.7
137.05978	8.7
142.07524	0.5
146.05997	0.6
148.03911	1.4
151.06256	1.5
152.07094	2.3
160.03932	0.5
162.05492	1.2
163.03830	0.5
164.07010	1.3
166.05000	1.8
167.14264	0.5
178.08588	1.3
180.06569	28.0
192.06493	0.5
194.08154	2.4
196.09666	1.0
204.06615	0.8
206.08159	1.4
208.09683	1.7
210.07632	9.1
219.17422	0.6
220.09698	0.8
222.07584	1.7
222.11224	1.0
224.09184	92.3
225.09502	1.0
236.09215	2.0
238.07178	0.6
238.10754	6.1
239.07286	0.5
248.09317	0.5
250.07137	0.5
252.08676	4.8
264.08817	0.6
266.10248	100.0
267.10461	1.0
282.09750	2.1
293.14633	0.5
294.09811	0.5
298.13034	1.2
308.11154	0.7
324.10733	2.9
346.12994	1.3
388.13934	13.2
420.16577	1.0
462.17706	18.8
462.30408	0.6
463.18542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
53.59954	0.4
55.41245	0.4
56.37580	0.4
65.03941	0.7
65.62771	0.4
69.03434	0.9
69.29800	3.6
69.44328	0.3
70.06580	0.5
71.04993	0.5
72.08150	0.4
76.48907	0.4
77.03954	0.5
79.05493	0.6
79.83015	0.4
85.02896	0.9
87.04471	27.1
91.05484	12.8
93.07044	7.5
95.04964	1.8
97.02859	0.4
103.05476	6.1
105.04534	1.0
106.06609	0.7
115.05527	0.4
118.06543	0.9
119.04942	3.3
120.04509	0.5
121.06509	38.2
127.03901	0.7
132.04483	0.6
134.06015	2.3
137.05978	7.7
144.04433	2.2
145.02867	0.5
146.05995	2.6
147.04489	0.6
150.05481	1.1
151.07562	0.5
152.07037	0.7
160.03941	5.3
162.05522	6.3
163.03952	1.4
164.04317	0.8
164.07068	0.6
166.08659	0.4
172.03896	0.5
176.07019	2.2
177.05496	1.4
178.05006	3.5
178.08638	8.6
180.06529	1.5
181.07362	1.0
188.03529	0.6
190.04901	0.8
192.06549	4.8
194.08138	15.5
196.06067	0.7
196.09767	1.0
200.54436	0.4
204.06570	1.7
206.04584	0.7
212.09195	5.0
220.06134	0.9
222.07646	2.9
238.07114	3.0
240.08681	0.6
256.08124	1.1
262.10709	0.8
264.08762	1.1
264.12292	2.1
278.10236	2.3
280.11826	2.9
290.10229	1.1
298.12955	2.3
300.09149	0.4
308.11285	7.8
310.09262	0.6
324.10803	13.5
342.11823	2.1
376.13919	1.2
444.16669	1.3
462.17618	100.0
463.17935	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32154	0.2
55.33991	0.2
62.67601	0.2
65.03928	0.7
67.05470	0.4
69.03429	0.3
71.57703	0.3
71.58087	0.3
72.99880	0.2
81.07045	0.5
87.04451	0.7
91.05484	5.5
93.07008	0.3
95.08593	0.3
95.21692	0.3
105.07032	0.4
105.94319	0.2
107.07308	0.7
108.08099	0.3
109.06478	0.3
112.02255	0.2
119.04957	1.8
120.04443	0.7
121.06451	1.1
123.96982	0.2
136.07574	0.3
137.05981	6.8
138.05458	0.3
139.59389	0.2
146.05998	0.6
148.03928	1.5
151.06294	1.1
152.07085	2.8
162.05470	0.3
164.07062	0.9
166.04990	1.9
178.08627	0.7
180.06555	30.6
192.06520	0.3
194.08182	0.5
195.08931	0.3
196.09657	0.7
204.06442	0.3
206.08092	1.0
208.09697	1.6
210.07610	9.1
220.09773	0.4
222.07576	0.5
222.11211	1.2
224.09175	95.5
225.09380	0.7
234.07561	0.5
238.10693	1.2
248.09181	0.3
252.08664	5.3
263.70905	0.2
264.23917	0.2
266.10233	100.0
267.10645	1.1
282.09882	0.3
282.25247	0.2
294.09753	0.5
319.32074	0.2
326.12296	0.3
346.12741	1.5
388.13919	13.1
400.19315	0.2
402.15491	0.4
416.14145	0.6
420.16290	0.7
444.13397	0.6
462.17197	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	462.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73652	0.2
65.03955	0.2
65.92719	0.2
70.88657	0.4
70.89017	0.2
71.08421	0.2
74.31875	0.2
87.04452	0.3
91.05486	4.7
92.05049	0.2
107.07329	0.6
108.08129	0.5
119.04953	2.2
120.04450	0.7
121.06525	0.3
135.21773	0.2
136.07605	0.5
137.05984	6.9
138.05450	0.3
146.06023	0.4
148.03940	1.7
151.06325	1.0
152.07072	2.8
153.05322	0.2
162.05513	0.3
164.07089	0.8
166.04974	2.0
178.08624	0.5
180.06569	31.1
181.06914	0.2
194.08191	0.3
196.09698	0.5
206.08102	0.8
207.08931	0.3
208.09709	1.8
210.07631	9.8
220.09685	0.2
222.07709	0.5
222.11229	0.8
224.09187	99.0
225.09525	1.0
234.07520	0.2
238.10757	1.2
252.08699	4.4
258.05316	0.6
266.10248	100.0
267.10651	1.2
286.04663	1.7
294.09796	0.4
301.07089	4.5
308.11328	0.2
326.12265	0.3
346.12939	1.7
364.61420	0.2
388.13925	13.1
389.14117	0.3
402.15506	0.3
420.16544	0.5
430.14450	0.2
432.64081	0.2
454.94431	0.2
458.26047	0.2
462.17630	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
56.61101	0.5
57.03434	1.5
61.02922	1.0
64.40253	0.5
65.26300	0.5
65.84571	0.5
69.03433	5.2
70.06739	2.5
71.04968	0.6
73.02908	1.0
73.70763	0.5
75.22250	0.5
81.03382	0.7
83.04951	0.9
84.05589	0.5
85.02914	5.4
86.09705	0.9
87.04470	1.2
87.49956	0.5
91.05489	1.6
97.02888	4.6
97.23506	0.6
98.97588	3.1
99.04435	0.7
107.04958	0.6
114.61966	0.5
116.05019	0.8
116.98608	1.0
117.05754	1.2
118.06557	3.7
119.01936	1.1
120.04429	0.9
121.06503	3.9
123.05566	1.3
127.03912	1.8
134.09671	1.8
135.04457	0.9
136.03888	0.5
136.05310	0.6
136.06187	3.7
136.07574	0.8
137.04578	1.9
137.05995	2.1
144.04456	3.8
145.04913	0.8
146.06013	17.8
147.06435	0.9
148.03941	0.6
152.05678	2.0
158.99736	0.6
162.05530	2.6
162.09148	0.8
163.03909	2.0
164.07074	1.0
172.03949	1.6
176.05765	0.7
176.07037	3.0
178.08644	27.0
179.02299	0.6
179.08972	0.6
188.07066	6.2
190.04958	1.4
190.08615	3.9
198.98601	1.2
204.04645	0.6
204.06563	1.8
206.08179	6.6
216.06564	6.2
220.09702	24.6
221.03352	0.7
221.10110	0.8
222.11261	55.4
223.11636	1.3
224.11873	0.7
234.07616	3.2
239.04370	1.6
248.09175	14.6
249.09393	0.7
254.13863	6.2
266.10248	40.2
267.10583	0.8
280.11816	7.6
281.05579	1.9
298.12866	8.5
299.13275	0.7
300.13406	1.2
309.55624	0.6
403.11334	2.3
430.17053	2.2
462.19699	100.0
463.20200	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.20847	0.5
59.05007	11.7
63.27219	0.5
68.01553	0.6
71.17860	1.2
72.10224	0.5
86.09702	0.9
87.04475	51.3
91.05471	2.1
93.07057	3.3
103.05457	1.9
106.02921	1.0
108.22536	0.5
110.49283	0.6
120.04411	0.6
121.06509	18.7
122.06835	1.1
124.03975	2.7
137.06004	1.1
138.05513	49.7
143.96651	0.6
150.05498	1.0
152.07042	2.0
163.11263	0.8
164.07068	9.4
168.11809	0.6
178.05014	2.1
180.06596	1.1
196.06012	0.8
210.07536	3.4
224.09192	100.0
233.11891	0.8
236.09102	0.8
250.10782	20.0
252.08705	0.8
264.08566	1.1
265.12628	0.9
266.10175	1.7
282.10165	0.8
282.13348	3.4
330.13370	11.8
356.15060	2.8
368.68793	0.6
388.07758	0.7
402.10498	1.2
402.15515	15.8
402.20786	0.9
430.18579	0.8
431.13135	0.9
463.15662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97085	4.7
53.03963	4.9
55.05522	5.8
59.04997	9.5
60.58776	4.3
63.06213	3.4
67.05494	8.4
67.68919	3.6
69.03419	7.5
69.07069	11.3
69.19065	4.0
69.20572	37.6
69.20993	7.3
71.04999	7.1
73.02895	3.9
75.38927	3.5
79.05496	21.6
81.07055	12.3
83.04972	14.9
85.00616	3.9
85.02906	9.1
87.04470	60.6
89.38308	3.5
91.05490	24.5
93.07033	30.9
95.04971	11.6
95.08598	7.2
97.02910	5.7
97.06529	16.1
99.04454	6.4
101.05994	4.0
103.05467	8.6
105.07040	34.5
107.04937	15.4
107.08618	18.8
117.07066	8.1
119.04970	8.7
119.08598	11.1
120.32298	4.8
121.06521	66.3
122.06790	4.7
123.08085	4.5
125.05984	25.8
126.05730	4.1
129.07036	4.8
131.04942	5.8
131.08539	8.7
133.06543	8.8
135.11710	5.6
137.06017	8.3
137.80577	4.8
138.05513	41.2
143.07077	17.8
143.08516	4.2
145.06474	6.6
145.10115	46.6
147.08061	3.8
147.11687	7.3
155.08507	4.4
158.07288	5.2
159.08052	6.0
159.11667	18.4
163.11189	100.0
164.07077	24.0
165.09088	5.3
171.11732	4.0
173.09657	30.3
177.12761	5.7
187.11186	33.2
189.12846	6.0
191.10661	25.9
197.09648	5.3
205.12350	19.7
206.71555	4.1
209.02327	4.5
209.09935	4.2
215.10646	23.1
222.07791	4.0
224.09209	95.7
233.11717	88.9
239.50085	3.6
247.13174	4.0
250.10735	30.3
251.12764	17.0
252.08376	3.7
266.10248	7.4
269.13840	23.4
282.09537	7.2
330.13470	12.8
402.15396	15.4
431.13010	5.1
444.19025	5.2
462.14688	12.4
462.20551	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	462.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.5
55.01870	12.3
55.05512	10.2
56.96581	2.8
57.03439	6.4
57.07072	5.4
61.02923	7.1
67.05507	22.6
68.99782	2.2
69.03431	37.0
69.07072	9.4
71.04994	6.5
71.56841	2.7
73.02924	7.9
79.05499	5.7
81.03424	22.8
81.07056	44.0
83.04963	2.2
83.08622	14.0
84.12648	1.8
85.02909	100.0
85.06577	3.2
87.00834	42.7
91.05499	7.5
93.07056	8.5
95.04997	3.9
95.08609	61.5
97.02903	33.7
97.10174	19.5
98.97656	1.8
99.04449	14.1
105.01877	63.0
105.07047	3.0
107.04934	2.7
107.08600	4.8
108.04509	3.3
109.02878	27.4
109.10162	70.2
115.11252	3.8
117.59222	1.8
119.04953	4.1
119.08627	2.4
121.06525	6.9
121.10138	3.2
123.11714	68.2
127.03922	75.0
129.01863	2.9
131.08594	2.7
133.10168	3.0
137.13264	26.8
145.04976	30.7
145.10115	3.1
147.02921	2.1
147.03271	2.3
147.04425	17.1
159.02863	13.9
171.02945	2.1
177.16328	3.2
179.17957	48.4
189.04002	3.9
197.19028	49.8
231.04965	20.3
248.07751	3.7
249.06082	8.0
269.19199	2.8
316.79819	2.0
332.04074	1.9
337.20493	3.6
358.38983	1.9
378.68271	2.3
391.21429	2.9
462.29422	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.8
52.66319	0.6
61.93918	0.6
71.59245	1.2
73.02895	0.7
81.03402	1.4
85.02892	2.0
91.05478	2.3
93.07045	2.0
103.05490	1.6
109.02847	1.3
121.06503	8.4
122.06841	3.3
123.00800	0.7
126.02105	0.7
137.06001	1.4
149.02397	1.1
149.05983	3.0
151.03896	4.7
152.07249	0.7
153.81615	0.7
162.05420	0.8
163.03902	2.5
165.01851	10.8
167.03403	1.6
175.03903	2.4
177.01808	0.8
183.02901	2.2
187.03845	0.8
191.03442	1.3
194.08118	2.3
195.02888	1.4
205.04950	1.4
206.60570	0.7
215.03514	0.8
222.07504	1.1
223.07942	0.8
236.09256	1.0
237.09377	1.1
238.10751	3.3
239.11150	4.6
243.02960	1.4
243.06636	1.6
249.09485	1.1
254.05806	1.1
267.06305	0.7
268.07315	1.3
270.05249	3.0
271.06003	2.4
282.05228	4.8
282.09644	1.8
283.10004	2.0
286.04745	2.6
292.07126	0.9
295.09933	1.1
296.06830	7.9
297.07547	4.4
298.04745	18.4
299.05511	0.9
299.13165	0.8
300.06357	6.9
301.07101	5.1
308.06738	1.4
310.04663	4.2
310.08353	4.2
311.09094	4.5
312.06232	1.7
313.07062	100.0
314.07776	5.5
320.06863	2.3
322.04880	0.9
324.06299	9.0
324.10651	2.0
325.07062	4.9
325.11029	5.4
326.04709	0.9
327.08606	2.4
328.05786	15.8
335.09091	1.8
336.06339	2.1
337.07169	1.5
338.04108	1.4
338.07797	8.4
339.05045	1.7
339.08646	16.7
343.08136	77.3
344.08401	1.5
348.06277	1.9
351.08673	1.3
353.10242	16.5
363.08640	4.0
364.05859	2.9
366.07416	1.1
367.08121	46.1
376.05692	1.6
379.08167	13.4
381.09698	3.3
391.08148	9.4
394.06781	2.8
397.09207	27.6
398.09265	1.0
409.09186	21.4
427.10263	27.2
445.11313	17.3
463.12210	6.7
463.17920	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Keyakinin
Peak:m/z	Relative Intensity
50.51912	0.8
54.46358	0.8
59.41418	0.9
69.71966	4.7
79.01851	1.0
81.03396	1.7
85.02893	2.4
85.71082	0.9
91.05478	2.8
93.07040	3.6
95.04977	1.2
97.02892	1.3
103.05465	1.3
109.02981	1.0
111.58052	0.9
121.06509	10.5
122.06834	3.8
137.02357	6.9
137.05981	2.8
149.05954	2.1
151.03920	11.5
154.36755	0.8
163.03842	1.2
165.01834	5.3
167.03386	0.9
177.01883	1.8
183.02864	1.0
187.03854	0.9
187.07547	1.0
191.03461	1.2
194.08131	1.8
195.08397	1.6
205.04993	1.1
215.03435	1.0
216.04256	1.6
217.04944	3.5
221.10233	1.1
222.07579	1.8
236.09052	1.8
237.09604	2.7
238.10802	5.3
239.11145	6.7
243.02953	2.8
243.06607	4.4
244.07185	2.3
253.04872	1.6
258.05243	1.2
261.03827	2.4
270.05255	4.0
271.05939	2.1
272.06842	2.9
281.12280	1.2
282.05191	2.5
282.09509	1.3
283.05923	1.5
283.09766	1.6
284.06830	1.9
285.07562	3.7
286.04968	1.9
286.08340	3.6
296.06714	3.5
297.07495	2.0
298.04761	23.5
298.08035	1.2
299.05423	3.4
299.13126	1.5
300.06287	9.1
301.07178	4.2
310.04764	4.9
310.08405	3.7
311.05496	8.1
311.08990	2.0
312.06262	7.9
313.07083	84.8
314.07791	18.1
320.06598	1.0
324.06302	6.8
324.10767	4.0
325.07080	12.3
325.11078	4.5
327.08685	10.9
328.05777	24.8
337.07199	1.5
338.07791	8.8
339.08603	9.0
340.05811	2.1
341.06485	2.7
343.08154	100.0
344.08539	1.4
348.06262	1.6
351.08719	1.2
352.05728	3.1
353.06155	1.1
353.10211	17.5
355.08179	4.4
357.09818	2.3
363.08670	1.0
364.05618	1.5
366.07294	1.4
367.08157	31.5
373.09125	6.0
379.08167	6.5
381.09668	5.0
385.09338	1.4
391.08264	2.6
394.06949	2.3
397.09241	20.3
399.10709	0.9
409.09247	16.7
427.10281	37.9
428.10806	1.3
445.11307	45.7
446.11847	2.0
463.12280	86.0
463.18069	27.5
464.12653	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.05497	2.7
56.96562	12.9
57.03440	10.1
59.69945	1.8
61.02924	11.4
64.14700	2.0
69.03442	20.3
70.06556	2.6
71.04978	9.7
71.57169	3.4
72.08150	8.2
73.02907	9.3
81.03409	8.4
83.04966	2.3
84.04531	2.6
84.08150	3.8
84.96049	3.1
85.02908	50.1
85.60842	2.2
86.03234	3.3
86.09688	3.1
87.04457	4.7
91.03953	5.8
91.05482	9.0
97.02894	24.0
98.97588	100.0
99.04462	6.6
101.00895	2.9
103.05471	3.1
105.34942	2.1
107.04972	3.5
109.02865	5.1
110.07174	3.5
110.97601	2.8
112.99088	2.9
115.03938	3.2
116.98621	34.7
118.98872	2.3
119.01886	8.7
119.04942	11.8
121.06556	2.3
123.04499	2.3
124.99081	2.7
127.03912	12.7
128.98610	6.1
129.05464	7.4
131.00192	7.3
131.01939	2.5
131.04901	5.5
133.04997	2.6
134.99673	5.9
135.04443	4.4
136.06143	2.6
137.05984	52.8
138.06311	6.0
143.00217	11.8
143.01871	4.9
145.01704	2.1
145.04948	10.9
146.99638	5.3
147.04395	24.1
148.04797	5.0
149.01245	8.3
149.05960	2.3
155.01836	2.9
157.03471	3.3
158.99658	20.2
161.01224	22.6
161.02975	5.6
161.05966	2.5
163.03880	22.8
164.04233	3.8
167.02229	2.7
167.07001	5.3
170.99609	2.0
173.01219	5.8
173.02924	3.8
175.04372	2.4
177.00729	11.1
177.02197	2.3
177.05594	3.3
179.02231	20.7
179.07028	17.4
183.55261	2.9
184.55867	2.2
191.02292	2.7
197.03326	8.7
197.08162	3.5
198.98570	15.2
200.07283	2.0
203.03937	2.3
216.99666	3.1
217.08337	3.1
219.01787	9.9
221.03314	9.5
221.05157	5.3
223.06641	4.2
237.02791	12.7
238.06227	2.1
239.04349	54.1
244.06883	2.4
245.04895	4.5
247.09641	3.4
253.03789	2.7
257.05325	4.1
265.07651	9.0
273.08173	2.8
274.57397	2.3
281.05463	46.2
281.08246	2.0
281.58334	3.1
283.00659	2.3
287.05536	27.4
290.08749	2.2
291.30988	2.2
299.06055	2.9
301.01831	9.8
367.10690	5.0
398.17081	2.4
403.11221	80.3
415.09012	4.0
463.12109	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1367
Annotation	Artoindonesianin C
Peak:m/z	Relative Intensity
55.05492	3.7
57.03438	4.5
63.21450	3.1
67.05500	5.4
69.03433	4.4
71.04993	6.0
71.57888	5.8
71.70167	2.9
81.07055	10.5
85.02907	10.8
91.05482	8.2
93.07050	8.2
95.08614	15.7
97.02879	5.8
103.05437	5.7
105.01856	3.5
119.08595	6.0
121.06507	33.3
133.10162	4.3
137.13213	5.3
143.08594	3.6
149.15248	3.7
155.14317	17.4
156.06987	3.5
165.09187	3.9
176.01280	3.2
201.12314	3.5
403.11493	5.3
452.00003	3.6
463.13675	100.0
463.24399	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	463.1574
Annotation	Exoticin
Peak:m/z	Relative Intensity
67.21441	0.4
69.03422	0.5
70.06597	0.6
71.18267	0.5
71.18597	0.8
77.76491	0.4
81.03432	0.5
82.55383	0.4
85.02903	1.0
86.09683	0.5
91.05473	0.7
95.03544	0.4
97.02888	0.7
98.97572	0.6
105.06993	0.5
119.04925	0.5
127.03919	0.8
137.05965	1.1
161.05983	0.5
171.75381	0.4
177.05330	0.8
205.04729	47.3
216.93712	0.4
266.07593	4.7
267.08475	1.1
287.05463	0.9
331.12637	0.5
415.13470	0.6
463.15781	100.0
464.16327	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.16
Annotation	2-(4-Hydroxyphenyl)-ethyl-(6-O-caffeoyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03948	2.0
53.63682	0.9
61.00571	1.2
65.03922	1.5
69.03427	2.7
69.28520	8.4
70.27307	0.9
71.04992	1.8
79.05497	2.3
79.55659	1.0
81.03417	2.1
85.02929	2.3
87.04472	15.8
88.04797	5.4
89.03928	2.0
89.04903	2.4
91.05482	15.5
92.05831	2.5
93.07060	6.4
94.07390	4.4
95.04935	1.4
95.07735	1.2
97.02879	5.8
98.21513	2.3
103.05473	6.9
104.05811	3.6
106.17432	0.9
107.04955	1.4
117.03429	3.2
118.06635	1.3
119.04944	22.6
119.06868	1.6
121.06516	26.5
122.06846	16.9
123.07069	3.9
135.04424	7.5
137.06001	2.7
144.04492	2.6
145.02835	7.0
145.04826	2.3
145.06479	1.4
146.06052	4.2
147.04414	92.4
147.06369	3.3
148.06682	1.5
149.05980	1.5
151.07632	1.4
161.05991	1.2
162.05550	1.7
163.03922	56.7
165.05438	4.9
172.17719	0.9
173.04330	1.1
176.07138	2.5
177.07512	2.9
178.08717	12.4
179.08994	10.5
180.09291	5.2
181.09549	2.1
189.05482	1.4
191.05331	0.9
203.07047	1.6
204.06650	2.1
205.06927	3.3
206.07178	1.1
210.74095	0.9
217.08492	1.5
222.07652	2.5
223.08014	3.3
224.08246	2.9
225.08661	1.1
245.08231	2.2
263.09219	2.3
264.11630	1.0
265.12436	1.5
266.10388	1.3
266.12891	2.1
267.10577	1.2
267.13217	1.4
308.11398	2.9
309.11993	6.8
310.08884	1.5
310.11948	12.6
311.09152	1.5
311.12253	11.4
325.09155	5.8
342.64444	0.9
410.80472	1.0
431.18268	2.3
463.20712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1814
Annotation	Ircinianin sulfate
Peak:m/z	Relative Intensity
55.01855	1.1
55.05501	2.4
57.03439	10.1
60.90037	1.0
61.02923	2.6
69.03434	14.4
69.62383	1.0
70.85026	2.5
71.04999	39.9
73.02913	3.4
75.04494	10.1
81.03435	2.2
83.04984	8.3
85.02911	100.0
87.04478	2.7
91.05477	4.6
97.02889	10.4
99.04497	2.0
103.03934	1.8
105.07014	4.5
111.04437	4.8
115.05486	2.2
119.04948	4.5
121.06528	2.2
123.04414	3.4
127.03925	3.5
129.05495	31.2
129.06950	2.8
131.04906	1.6
133.06476	3.9
135.04407	1.3
137.05984	43.8
143.04852	1.4
145.04968	3.0
145.06480	1.2
147.04465	1.6
147.06538	23.7
149.05978	5.3
151.07550	8.9
155.07047	6.3
157.06496	2.8
161.05984	6.8
165.05466	5.7
167.07063	4.1
173.06029	1.8
175.07555	4.3
179.07065	16.3
181.06496	1.2
185.06017	2.7
189.05482	1.6
191.07051	1.4
195.06477	1.1
197.08041	1.3
201.09148	1.2
203.07007	7.2
205.04878	1.5
205.08618	1.3
217.08647	2.1
221.08141	8.0
233.08032	1.8
245.08098	4.5
247.09676	8.1
251.09183	2.3
251.49886	1.1
255.08578	1.9
263.09201	9.5
265.10812	2.0
281.10211	4.3
299.11215	2.5
309.11823	4.0
317.12170	2.1
429.08734	1.2
463.15622	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	463.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01861	1.6
55.05508	2.9
56.96552	1.3
57.03442	7.7
61.02922	2.4
69.03432	14.5
69.23887	7.6
69.24309	3.9
70.06591	1.4
71.04996	36.9
73.02901	4.7
75.04484	7.5
75.50099	1.0
81.03400	3.4
83.04974	8.6
84.04525	1.0
84.08140	1.2
85.02912	100.0
86.03210	1.5
86.09682	1.3
87.04465	2.5
91.05451	6.4
97.02900	10.5
98.20745	1.8
98.97589	3.0
99.04438	2.6
103.03931	1.4
103.05427	1.9
105.07018	3.7
107.04984	1.3
109.02873	2.6
111.04430	4.0
112.83002	1.1
119.04952	2.7
121.06521	2.4
123.04429	2.4
124.04756	1.8
126.91151	1.1
127.03951	5.4
129.05498	28.3
129.06973	2.1
131.04956	1.3
133.06462	4.3
135.04347	2.3
137.05988	35.6
145.04939	3.1
145.06470	1.6
147.04411	2.2
147.06546	18.9
149.06024	7.0
150.05463	1.6
151.07555	9.6
153.05492	1.8
155.06996	4.5
157.06453	2.2
158.99655	1.4
161.05971	6.5
163.03889	1.9
165.05463	6.3
167.07060	3.5
171.08090	1.1
175.07570	3.3
179.07047	16.3
185.06003	2.6
187.07593	1.8
191.07045	2.8
203.07089	6.8
205.04726	9.3
217.08588	1.9
219.01823	2.9
221.08145	6.5
245.08066	3.1
247.09651	9.1
251.09265	2.5
255.08696	1.5
259.06601	1.9
263.09195	9.0
265.10739	1.8
266.07550	1.5
281.10269	3.0
309.11676	2.6
317.12222	1.8
343.04727	1.2
373.07962	2.6
374.08231	2.0
463.15939	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	463.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.05509	10.2
56.96566	6.7
57.03421	2.9
57.07062	2.5
65.03920	3.0
67.05518	20.1
69.03451	11.8
69.07074	8.5
69.27458	24.3
71.04994	8.5
77.82614	2.5
79.05502	22.0
81.03403	4.7
81.07056	27.7
83.05000	14.2
83.08607	4.1
84.08153	3.4
85.02905	17.1
87.04439	3.0
91.05484	31.9
93.07055	46.2
95.04971	7.3
95.08609	17.5
97.02909	7.6
97.06544	3.7
97.10120	2.8
98.97578	9.7
102.56097	2.6
103.05474	7.0
105.04554	2.8
105.07035	43.9
107.04945	3.3
107.08609	38.6
109.06511	6.4
109.10176	12.8
110.97614	2.3
111.04443	3.2
115.05516	2.9
117.07024	13.1
119.08598	33.1
121.06519	68.7
121.10152	20.1
122.07353	4.1
123.04486	5.2
123.08089	4.8
125.09640	4.1
128.06252	4.6
129.05516	4.1
129.07036	6.9
130.07816	9.1
130.11877	2.1
131.08569	18.8
133.10135	28.7
135.08087	10.2
135.11734	15.0
137.06013	3.2
137.09598	16.1
139.11220	5.4
142.07722	5.5
143.08557	17.4
145.10138	100.0
146.10951	3.8
147.07982	3.3
147.11693	10.5
149.09628	4.9
149.13249	3.1
151.07639	2.8
155.08546	3.2
157.10170	17.1
159.08058	5.7
159.11711	10.0
161.09616	5.0
163.03983	4.1
163.11214	62.1
164.07072	6.5
169.10191	5.0
171.11737	7.3
173.13336	9.3
175.11287	3.9
176.34714	2.6
179.08609	3.3
183.11592	2.7
185.09700	4.1
185.13242	7.5
187.14833	4.3
189.12970	3.0
191.14319	3.4
195.11754	4.5
197.13345	5.0
199.11139	3.8
199.14859	20.2
205.15892	3.8
209.13231	9.0
213.16348	2.8
215.14326	4.7
217.15935	9.2
219.01869	3.4
223.14819	5.3
227.14275	9.7
253.19469	4.7
265.19577	5.1
271.20499	18.1
283.20563	20.6
284.12836	16.7
287.05652	4.2
301.21564	24.2
322.17819	2.7
332.66196	3.1
417.38889	3.3
421.18735	3.9
445.17813	8.1
463.18832	9.8
463.30405	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	3-Dehydroecdysone
Peak:m/z	Relative Intensity
53.03907	3.9
53.04132	1.1
55.01835	3.1
55.05511	18.2
57.03435	6.4
57.07056	1.7
65.03924	2.1
67.05507	46.5
67.12199	0.8
69.03401	1.0
69.07066	15.5
71.04951	2.7
77.03880	1.2
79.05495	35.7
81.03386	1.0
81.07059	48.5
83.04945	3.5
83.08636	8.2
84.52525	0.9
85.06495	2.3
91.05481	54.8
92.05773	1.0
93.07046	38.4
95.04906	3.1
95.08607	27.2
97.06545	6.5
97.10104	3.6
98.21487	2.8
99.08031	2.0
103.05396	2.1
105.04474	1.3
105.07034	48.1
107.04887	3.0
107.08598	18.3
109.06513	5.4
109.10160	10.1
111.07978	2.7
115.05395	2.1
117.07023	23.9
119.04942	1.2
119.08582	30.0
121.06517	7.2
121.10144	12.9
123.07996	3.1
123.11665	1.9
125.09560	1.6
126.03545	1.0
128.06152	3.5
129.07013	17.9
131.08569	44.4
133.06389	3.2
133.10138	21.4
135.08080	5.3
135.11728	6.2
137.09583	2.0
141.07005	8.1
142.07739	1.9
143.08559	18.6
145.06401	2.9
145.10129	23.8
147.07954	4.4
147.11710	5.9
149.09520	4.0
149.13199	1.8
151.11145	1.8
152.65338	1.0
154.07617	1.1
155.08571	10.3
157.06424	1.0
157.10143	11.8
159.07938	2.8
159.11687	8.6
161.09550	2.6
161.13113	3.1
163.11119	1.4
163.66502	1.0
166.61491	0.9
167.08473	2.8
169.10118	8.7
171.07904	1.9
171.11674	8.7
173.09511	2.6
173.13196	5.4
175.11258	1.4
175.14748	1.6
177.12642	1.1
181.10103	4.8
183.11714	5.1
185.09557	1.3
185.13278	5.8
187.11086	1.6
187.14706	2.9
189.12582	1.3
195.11713	4.5
195.13245	1.1
197.13237	4.5
199.11111	1.5
199.14676	3.8
201.12576	2.2
201.16284	2.3
205.15591	1.2
209.13078	4.1
211.14658	4.3
213.12695	1.5
213.16258	1.6
215.14261	1.0
219.13708	1.3
223.14742	2.1
223.16788	1.0
225.16200	3.0
229.15678	1.5
233.15233	2.9
235.14569	1.3
235.16716	1.6
237.16199	1.6
239.17789	1.3
241.15877	1.9
247.16751	3.6
255.17197	2.0
259.16864	1.5
259.20551	1.1
261.18311	3.2
271.16769	1.1
273.18320	1.5
275.19885	2.2
279.14603	1.0
287.19864	1.6
307.23929	1.0
311.21786	1.2
325.21658	1.1
325.25180	6.6
335.23749	6.9
343.26364	11.3
353.24744	30.4
371.25818	37.2
389.26834	38.5
427.28043	4.3
445.29529	100.0
463.30066	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	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03948	3.7
55.01881	5.9
55.05266	2.0
55.05514	22.8
57.03441	9.1
57.07072	2.3
64.95191	1.0
65.03934	4.6
65.50836	1.2
67.05508	53.3
69.07072	18.6
70.96379	3.2
71.04983	4.3
79.05498	49.6
81.03426	1.7
81.07062	58.3
83.04971	4.7
83.08622	12.2
85.06535	2.1
91.05485	68.7
93.07047	48.4
95.04964	6.4
95.08613	38.1
97.06531	8.4
97.10174	4.5
99.04471	0.9
99.08085	2.1
100.22337	0.9
103.05467	3.7
105.04514	1.6
105.07038	68.8
107.04950	6.3
107.08606	23.0
109.06531	8.1
109.10159	13.3
111.08069	2.9
113.06060	1.4
113.09638	1.1
115.05465	3.3
117.07027	34.7
119.04942	1.3
119.08591	41.0
121.06535	10.5
121.10155	17.5
123.08086	4.2
123.11721	3.9
125.09603	2.3
128.06247	5.0
129.06100	0.7
129.07018	22.3
130.07751	2.8
131.08577	56.9
133.06491	4.0
133.10132	27.6
133.11092	2.2
135.08055	5.8
135.11699	7.2
136.50090	1.1
137.09654	2.3
137.13289	1.4
141.06999	7.1
142.07784	3.3
143.08574	23.6
145.06508	3.9
145.10127	34.4
147.08009	5.4
147.11722	9.0
149.09599	5.6
149.13239	2.6
151.11220	2.4
153.07005	1.3
154.07794	1.4
155.08540	12.4
157.06496	1.2
157.10143	16.9
159.08095	3.5
159.11708	16.0
161.09657	4.3
161.13281	4.4
163.11218	2.2
165.12909	1.1
167.08591	5.0
168.09406	1.6
169.10121	11.6
171.08035	1.8
171.11726	10.6
173.09653	1.8
173.13263	7.4
175.11180	3.6
181.10141	6.1
183.11700	7.9
185.09692	1.6
185.13312	6.9
187.11203	3.3
187.14789	5.3
189.12767	2.7
195.11687	4.8
196.12663	1.4
197.13258	8.0
199.11238	2.6
199.14807	5.1
201.12749	2.9
201.16467	2.3
205.12285	1.1
205.15971	1.5
207.11821	1.8
209.13271	5.2
211.14839	4.2
213.12769	2.1
213.16394	2.5
215.14436	2.3
217.16049	1.7
219.13756	1.8
219.17378	1.6
223.14891	3.4
225.16487	2.2
227.14323	2.7
227.17851	1.3
229.15945	1.9
231.17432	2.0
233.15353	3.7
235.14917	1.7
235.17068	1.2
237.16426	1.6
241.15857	2.7
243.17538	2.6
245.15411	1.5
247.17033	3.4
251.28941	1.1
255.17435	4.3
259.16953	3.7
261.18375	2.0
273.18512	2.6
275.20108	1.3
287.20166	1.3
325.25256	9.8
335.23843	10.4
343.26328	13.6
353.24768	43.5
361.27734	1.8
371.25812	53.4
381.27936	1.1
389.26901	58.2
409.27728	1.3
417.30179	1.2
427.28650	4.7
445.29514	100.0
463.30618	70.3
464.30698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	3-Dehydroecdysone
Peak:m/z	Relative Intensity
52.10876	1.0
53.03945	2.5
55.01869	1.7
55.05511	13.7
55.17503	1.0
57.03434	4.4
65.03935	1.3
67.05172	2.0
67.05511	31.2
69.07069	9.9
69.44389	6.3
70.74918	1.0
71.05003	2.5
72.41045	1.0
73.40027	0.9
77.31596	1.0
79.05499	24.5
79.62681	1.0
81.07065	30.6
83.04996	3.6
83.08640	5.4
85.06525	1.1
91.05489	33.8
92.99576	1.1
93.07047	24.0
95.04983	3.4
95.08612	21.7
97.06528	3.1
97.10171	2.1
103.05504	1.2
105.07042	36.1
107.04971	3.4
107.08598	13.5
109.06520	3.8
109.10151	6.7
115.05469	1.5
117.07030	17.3
119.08593	18.9
120.64915	1.1
121.06535	4.4
121.10142	7.9
123.11758	1.5
125.09626	1.2
128.06238	3.1
129.07013	10.1
131.08574	26.0
133.06493	1.2
133.10144	15.2
135.08035	3.0
135.11711	4.1
137.09598	2.1
141.06993	3.6
142.07753	2.0
143.08583	10.1
145.06502	2.3
145.10127	15.9
147.08073	3.2
147.11700	4.3
149.09572	2.0
149.13286	2.4
155.08534	6.2
157.10136	8.6
159.07997	2.1
159.11707	6.3
161.09677	2.5
161.13287	1.6
167.08583	3.3
169.10155	5.0
171.08131	1.7
171.11682	7.2
173.09663	1.7
173.13284	3.8
181.10153	3.5
183.11699	4.0
185.09634	1.5
185.13278	4.0
187.14859	2.8
195.11670	2.5
197.13232	3.9
199.14839	2.0
201.16469	1.7
209.13280	2.9
211.14795	2.4
223.14835	1.7
227.14304	2.5
241.15858	1.6
247.17046	2.6
248.00180	1.1
255.17371	2.0
259.16998	2.1
261.18405	2.1
273.18549	2.9
275.20062	1.7
307.23987	1.8
316.33344	1.1
325.25281	4.2
335.23676	6.4
343.26389	6.9
353.24774	18.2
371.25848	26.0
389.26898	28.0
394.62006	1.3
427.28555	3.0
445.29526	100.0
446.29822	2.0
463.30490	28.2
466.66391	1.3
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	Verbacine
Peak:m/z	Relative Intensity
50.84967	1.6
53.03942	4.1
55.01867	3.8
55.05515	17.2
57.03434	5.3
57.07066	3.1
57.31500	1.5
65.03931	3.5
67.05508	66.9
69.07069	27.0
69.84967	10.5
71.04996	3.2
76.25131	1.7
79.05498	45.4
79.05968	2.8
81.03433	3.5
81.07063	88.7
83.04988	7.8
83.08630	16.7
85.06542	5.3
91.05487	23.4
93.07047	67.3
95.04979	3.2
95.08614	21.4
97.06532	13.7
97.10164	3.0
98.21560	1.5
99.08113	3.9
105.04456	1.7
105.07048	11.4
107.08600	39.0
109.06509	2.4
109.10183	4.8
111.08063	8.1
113.06000	2.3
113.09601	2.4
115.28758	1.8
117.06992	9.2
119.08606	6.5
121.10142	21.6
123.11688	2.6
131.08553	10.9
133.10136	8.8
135.08084	2.2
135.11723	8.7
139.11198	2.5
149.13269	44.3
157.10176	1.9
159.11691	15.8
177.12749	9.4
195.13803	18.4
201.16393	1.7
213.14886	3.9
227.06467	1.7
287.05600	14.8
301.07269	5.8
410.10620	1.6
463.30685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.306
Annotation	Tupichigenin A
Peak:m/z	Relative Intensity
53.03941	6.6
55.01858	2.6
55.05516	19.7
56.96566	1.6
57.03426	6.6
57.07087	2.1
64.70501	1.6
65.03923	4.5
67.05166	2.8
67.05508	48.7
69.03416	4.5
69.07069	23.7
69.52234	5.5
69.52646	6.0
71.04985	4.2
76.37459	1.8
79.05499	41.9
81.03455	2.1
81.07063	54.1
83.04964	5.9
83.08620	11.9
83.67683	1.5
84.60177	1.7
85.02870	2.2
85.06547	4.7
91.05485	57.6
93.07050	46.6
94.07439	1.7
95.04965	7.6
95.08611	34.4
97.06536	6.7
97.10167	4.6
103.05464	5.7
105.04533	2.4
105.07035	52.1
107.04952	7.2
107.08608	23.8
108.08965	1.8
109.06524	7.3
109.10166	12.6
111.08087	3.2
113.00060	2.2
115.05508	2.7
117.07022	22.0
119.07781	3.3
119.08589	32.5
121.06515	14.1
121.10146	21.6
123.08111	3.0
123.11710	4.0
125.09648	2.6
128.06219	4.6
129.07019	18.5
131.08575	47.1
133.06516	3.0
133.10152	24.6
135.04472	2.1
135.08037	8.3
135.11728	7.9
137.09610	4.3
138.87537	2.0
139.11188	2.6
141.06975	5.6
142.07816	2.4
143.08559	16.3
144.09415	1.8
145.06479	4.8
145.10135	27.7
147.08061	7.1
147.11688	6.5
149.09653	6.5
149.13245	7.5
155.08583	9.4
157.10104	8.6
159.08080	3.5
159.11697	14.1
161.09587	4.2
163.11191	2.7
167.08534	4.2
169.10149	9.7
171.11633	8.9
173.09618	2.1
173.13277	6.6
181.10117	3.7
183.11688	7.1
185.09618	2.4
185.13293	3.9
187.11133	2.6
187.14885	3.5
195.11835	2.8
197.13229	5.2
199.14798	4.0
207.11571	1.8
209.13336	3.3
211.14832	3.6
213.12762	2.2
215.14413	2.3
223.14755	3.7
233.15387	3.0
237.16524	3.0
247.17024	4.6
259.17010	2.7
261.18399	2.1
273.18433	2.3
287.05438	5.5
296.96854	1.8
305.29288	1.6
317.23093	2.2
325.25327	6.3
328.39996	1.7
335.23755	6.9
343.26309	12.6
351.25284	2.3
353.24756	28.1
357.47720	2.1
366.24371	1.7
371.25824	36.6
371.44351	2.0
389.26904	38.4
427.28299	4.9
445.29556	100.0
463.24252	3.0
463.30594	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	463.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.8
53.03942	4.7
54.14938	1.3
55.01865	4.1
55.05271	1.7
55.05515	21.7
57.03440	8.7
57.07049	1.7
59.04993	1.3
64.44579	1.2
65.03931	5.1
67.05508	60.3
69.03445	2.5
69.07072	26.7
70.89186	3.6
71.04995	4.5
79.05062	2.8
79.05499	45.2
81.03403	1.8
81.06577	3.1
81.07061	65.0
83.04980	5.9
83.08622	11.3
83.14860	1.6
85.02945	1.7
85.06542	4.2
91.05484	71.6
93.07044	50.3
95.04984	9.7
95.08611	36.5
95.43742	1.2
97.06557	7.2
97.10162	4.6
103.05479	4.9
105.04482	1.5
105.07034	70.9
107.04980	5.9
107.08596	26.7
108.92263	1.2
109.06511	8.8
109.10162	15.3
111.08102	2.9
113.55293	1.3
114.62841	1.3
115.05470	3.2
117.07030	29.7
119.04950	1.5
119.08585	45.3
121.06517	15.3
121.10155	17.5
123.08075	5.6
123.11681	2.7
125.09663	2.4
128.06239	5.1
129.07002	21.2
130.07843	1.6
130.60716	1.2
131.08574	51.3
133.06499	5.3
133.09137	1.5
133.10143	26.1
135.08058	4.6
135.11687	8.8
137.09679	3.3
141.07013	9.5
142.07813	1.9
143.08577	23.1
145.06531	3.4
145.10138	32.4
147.08055	7.3
147.11681	6.9
149.09645	5.9
149.13258	3.6
151.11230	2.1
153.07056	2.2
155.08586	11.7
157.10159	15.4
159.08078	3.8
159.11697	16.4
161.09619	5.0
161.13286	5.8
163.07426	1.4
163.11212	1.9
167.08583	4.4
169.10158	12.7
171.11668	10.1
173.09698	2.0
173.13264	5.9
175.14886	1.6
177.12798	2.1
179.57513	1.4
181.10165	5.1
183.11755	7.5
185.09656	2.4
185.13289	6.0
187.11235	5.3
187.14835	4.3
189.12715	1.9
195.11713	5.4
197.13261	9.1
199.11226	3.5
199.14822	4.5
201.12773	2.4
201.16400	1.8
205.12111	1.9
209.13358	6.3
211.14830	6.3
213.12825	2.2
215.14352	1.9
219.14040	1.7
221.15436	2.1
223.14801	3.5
225.16444	3.0
227.14380	2.1
227.18073	2.4
233.15450	2.8
237.16342	3.2
239.17921	1.7
241.15906	2.1
243.17438	1.7
245.15457	1.7
247.16927	4.5
255.17447	2.3
259.17007	3.7
261.18625	3.3
269.19083	1.6
273.18384	3.1
287.05518	2.2
287.20123	2.2
307.23874	1.4
319.77417	1.4
325.25302	9.9
327.26926	1.8
335.23767	10.2
337.25146	1.8
343.26324	19.0
353.24762	43.1
353.29016	2.7
354.25061	1.7
371.25818	54.0
389.21921	2.7
389.26892	51.2
417.29980	2.9
427.28500	5.3
445.29526	100.0
463.30609	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3396
Annotation	Dolichosterone
Peak:m/z	Relative Intensity
55.05499	0.7
57.07083	0.5
67.05502	1.1
69.07053	0.8
69.70778	0.8
69.71181	2.4
79.05499	0.6
81.07050	0.9
83.08617	1.0
87.45002	0.4
91.43376	0.4
93.07033	1.0
95.08582	1.3
98.20698	0.5
98.69875	0.4
108.21703	0.4
109.10204	0.5
119.21208	0.4
121.10168	0.4
131.08511	0.5
133.10168	0.7
134.93692	0.4
135.11682	0.5
150.79849	0.4
150.95598	0.4
169.08623	1.2
170.71051	0.5
191.10297	0.5
287.05637	1.3
295.22476	4.5
297.05823	0.5
428.97675	0.5
463.33978	100.0
464.34387	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42481	5.6
55.05505	29.6
55.73551	5.9
57.07082	44.8
66.31826	6.8
67.05505	7.3
69.07073	50.2
69.20850	43.5
69.21279	24.6
71.04995	61.3
71.08643	38.7
81.07050	27.6
83.08601	36.0
85.10172	25.2
89.69321	6.3
91.05505	7.5
93.07043	6.0
95.08611	29.5
97.10181	36.9
99.04451	26.0
109.06575	9.1
109.10141	26.8
111.11714	27.8
123.11712	21.2
125.06004	100.0
127.03905	60.7
129.70650	7.5
137.06010	46.2
167.07050	48.7
175.11200	8.5
255.83684	6.9
403.35800	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	25.3
55.38844	7.8
57.07078	39.2
61.27359	8.2
67.05496	14.1
69.07093	41.8
69.52025	29.1
69.52432	24.7
71.05000	46.6
71.08619	36.0
81.07043	34.1
83.08613	29.3
85.10170	17.6
90.63772	9.4
91.05463	34.5
92.05788	8.3
95.08589	26.5
97.10150	25.6
109.10135	16.2
111.11718	25.0
123.11687	15.6
125.06009	100.0
125.13332	8.4
127.03925	56.6
137.05959	44.5
139.07561	7.8
141.63165	7.6
147.14471	8.1
157.10202	7.9
165.16380	8.3
167.07031	50.8
179.06967	7.8
181.10518	7.8
197.89343	8.0
241.92021	8.0
403.35709	38.3
454.10291	8.4
463.37564	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	463.3786
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03938	2.5
55.05521	27.4
55.81626	2.4
57.07080	43.2
65.03921	3.3
65.96989	2.2
67.05510	19.2
69.07072	54.5
71.05014	2.7
71.08638	28.2
71.57453	3.0
74.52940	2.5
77.97125	2.2
79.05493	14.8
81.07063	45.1
83.04984	2.6
83.08630	36.0
85.06535	6.1
85.10184	15.0
91.05462	11.1
93.07043	21.1
95.04993	4.8
95.08621	39.6
97.06537	5.9
97.10175	26.2
98.21056	3.4
99.04459	8.1
105.07040	21.8
107.05016	3.0
107.08607	27.0
109.06533	21.7
109.10162	22.3
111.08093	19.2
111.11710	13.0
117.07047	2.7
119.08576	21.5
121.06519	7.6
121.10149	10.6
122.07290	3.7
123.08076	15.8
123.11717	12.3
125.05973	17.9
125.13268	4.1
131.08568	7.1
133.10129	15.8
135.08067	18.8
135.11722	14.0
137.05988	8.7
137.09628	7.9
137.13275	7.9
139.07562	32.8
140.08357	9.6
141.09119	36.1
145.10135	7.8
147.08058	4.0
147.11684	13.6
149.05949	3.2
149.09622	7.2
149.13258	5.6
151.07570	10.3
151.11186	4.1
153.09190	4.6
157.10135	3.0
159.11758	3.5
161.09633	6.8
161.13243	16.0
163.11218	4.5
163.14828	3.0
165.09171	6.4
165.12726	2.8
167.07039	8.1
169.08559	3.8
171.11717	3.3
173.13300	4.2
175.07555	4.8
175.11217	6.5
175.14798	4.8
177.09106	5.1
177.12775	3.2
179.07161	3.1
181.08661	3.5
185.13333	4.5
187.14857	4.0
189.09171	4.0
189.12773	8.5
193.08565	3.7
193.19467	2.9
196.50967	2.4
201.16310	2.9
203.10693	2.4
203.14378	5.0
216.11433	2.9
217.12346	5.4
226.01163	2.1
231.13780	5.2
249.14847	5.7
252.86494	2.9
263.16467	3.4
263.27368	2.6
287.05627	5.6
305.28470	7.8
307.29926	3.4
315.23154	3.1
319.22684	3.5
327.30444	4.0
345.31619	17.4
347.25589	2.6
357.35251	8.0
363.29105	2.6
375.28741	2.5
375.36221	2.6
385.34564	6.4
399.36710	11.2
403.35626	11.7
417.37158	19.7
427.36008	21.5
445.36813	56.2
463.37885	100.0
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
53.03959	4.5
55.05517	24.2
57.07082	29.2
60.17060	3.2
67.05509	10.2
69.07077	38.8
71.08624	20.8
71.49599	4.2
79.05497	12.0
81.07061	30.4
83.04977	3.6
83.08626	29.6
85.10182	14.0
85.67701	3.7
89.06026	13.8
91.05508	6.0
92.80155	4.0
93.07061	17.9
95.08618	23.8
97.06538	3.9
97.10183	23.2
98.21274	3.7
99.04444	5.0
105.07039	11.9
107.04967	4.9
107.08605	14.7
109.06539	20.0
109.10175	12.5
111.08055	13.2
111.11769	10.2
119.08575	6.0
121.06488	4.6
121.10149	6.8
123.08070	11.5
123.11736	6.8
125.02344	7.9
125.06003	37.9
125.13264	5.3
127.07545	3.3
133.06496	4.8
133.08635	4.2
133.10141	6.6
135.08054	10.1
135.11807	6.3
137.06003	47.4
137.09601	6.6
137.13187	3.9
139.07524	23.9
140.08340	10.3
141.09111	31.0
149.05983	41.9
149.09642	5.2
151.07562	19.3
159.11604	3.4
161.06047	6.0
161.09671	4.8
161.13300	3.4
162.12091	3.7
165.09134	3.6
167.07066	39.3
171.11667	4.6
175.11221	6.0
179.03523	4.6
179.07042	28.6
185.08119	5.8
189.12823	6.2
195.12354	6.5
196.12711	4.5
197.04492	21.4
197.08195	5.2
211.96501	4.0
287.05511	6.5
305.28305	7.3
399.36258	19.1
403.35892	6.3
417.37350	25.7
427.35974	9.8
445.36758	73.0
446.39072	11.0
463.24033	4.3
463.37976	100.0
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
53.03938	1.0
55.01879	1.0
55.05513	11.0
57.07080	31.5
65.03909	1.0
67.05514	7.7
69.03419	1.0
69.06682	0.9
69.07072	24.8
69.56625	3.3
71.08638	25.7
77.76225	0.8
79.05494	4.7
81.07056	18.6
83.04948	0.9
83.08144	1.0
83.08630	14.5
85.10182	12.7
87.59999	0.8
91.05471	3.7
93.07047	7.0
95.04961	0.9
95.08614	14.9
97.02913	1.5
97.06522	3.1
97.10175	10.8
98.21500	1.3
99.04427	4.0
105.07034	5.9
107.04919	1.1
107.08601	5.1
109.06526	12.9
109.10149	7.9
111.08099	3.0
111.11722	5.4
111.27490	0.8
119.08566	2.8
121.06544	1.8
121.10136	3.9
123.08064	10.4
123.11710	3.5
125.05994	13.1
125.09599	1.5
125.13297	1.9
127.07562	43.9
131.08542	3.0
133.06468	1.1
133.10127	3.7
135.08058	3.5
135.11726	1.9
137.06004	5.5
137.09628	3.8
137.13232	1.0
139.07545	100.0
145.10104	1.4
147.11690	2.5
149.05974	4.7
149.09612	3.5
149.13280	2.0
151.07552	6.5
151.11115	1.6
153.09123	1.7
157.10033	0.8
161.09621	0.9
161.13269	2.5
163.07591	1.7
163.14830	1.3
165.09157	2.4
165.12843	1.1
165.16382	1.0
167.07039	5.0
168.10088	0.8
169.08591	1.7
171.11896	0.8
173.09612	1.1
175.11270	2.4
175.14870	1.1
177.09134	15.8
179.07083	2.3
179.10684	1.1
189.12779	0.9
193.12201	1.3
201.12816	1.3
203.14230	1.4
205.12202	1.0
221.15424	1.1
249.15088	1.5
249.18541	0.9
301.29019	3.3
319.30011	9.6
347.33099	16.7
373.30981	5.4
385.34952	1.5
387.19171	1.2
389.37701	1.0
399.36279	3.5
403.35721	1.3
417.37250	16.2
427.35764	4.1
445.36804	57.3
446.37259	2.1
463.37854	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05264	1.4
55.05511	17.7
57.07079	31.8
63.68817	1.1
67.05504	8.0
69.06727	1.8
69.07073	29.0
69.52759	7.3
71.08636	28.9
73.71910	1.1
77.57636	1.1
79.05492	4.5
81.07063	22.4
83.08620	16.9
85.10186	17.1
91.05486	3.7
93.07034	6.8
93.14794	1.0
95.04939	1.8
95.08605	16.6
96.76089	1.4
97.02911	1.9
97.06541	4.0
97.10168	12.3
98.21466	2.4
99.04443	3.7
99.11723	1.4
102.42181	1.2
105.07020	7.1
107.04958	1.8
107.08614	6.4
109.06522	15.0
109.10155	7.8
111.08071	4.1
111.11706	4.6
119.08602	4.6
121.06547	3.2
121.10162	4.6
121.22057	1.1
123.08075	12.3
123.11703	4.2
125.05995	20.1
125.09618	1.7
125.13291	2.1
125.92855	1.1
126.92505	1.1
127.07561	39.9
131.08577	2.3
133.10143	3.8
135.08057	3.9
137.05977	7.5
137.09630	2.7
137.13307	1.9
139.07545	100.0
145.10165	1.6
147.08040	1.7
147.11700	2.8
149.05991	5.3
149.09622	3.1
149.13257	1.7
151.07542	11.1
151.11179	1.6
151.14752	1.8
153.09143	1.2
157.10182	1.8
161.09657	1.7
161.13213	1.6
163.07533	2.3
165.09035	5.5
167.07057	5.1
169.08670	1.9
173.09654	1.8
173.13313	1.8
175.11217	2.7
177.09108	14.4
177.16368	1.5
179.10660	3.0
180.88261	1.2
189.12773	1.6
189.16225	1.2
193.12305	1.3
195.10217	1.5
203.14297	1.4
235.16913	1.7
249.14850	2.3
263.20547	1.3
301.28885	5.7
319.29968	11.5
347.33121	12.7
373.31085	4.6
385.34732	1.5
399.36282	4.9
403.35840	4.6
417.37283	18.4
427.35776	4.4
445.36789	70.8
463.37839	78.2
464.38464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01864	5.7
55.05515	34.1
57.07077	36.7
65.05967	2.1
67.05509	15.6
69.07072	63.7
69.58563	13.1
71.08638	24.0
79.05489	13.8
81.07057	49.0
83.01351	2.8
83.04982	11.6
83.08619	40.4
85.10190	17.0
91.05486	7.9
93.07037	29.8
95.08609	44.7
97.06512	6.4
97.10175	26.4
98.21416	4.7
105.07021	7.7
107.08600	22.9
109.06521	9.1
109.10152	21.0
111.08081	11.6
111.11719	19.9
119.08589	5.0
121.06491	7.1
121.10117	11.8
122.73191	2.4
123.08035	7.0
123.11724	13.6
124.05224	3.6
125.06004	5.9
125.09657	3.5
125.13274	6.9
127.07565	3.1
133.10123	4.0
135.08047	5.9
135.11681	12.0
137.05992	15.9
137.09610	4.8
137.13255	6.8
139.07549	100.0
139.14838	3.7
145.10158	3.7
147.11699	3.2
149.09605	7.5
149.13254	10.9
151.07539	11.6
151.14781	3.1
153.09160	3.5
155.06985	2.4
157.10071	2.4
161.09625	3.1
161.13255	2.4
163.14815	11.7
165.05475	8.8
165.09132	15.2
167.07036	8.4
173.13341	4.1
175.11212	5.8
177.09055	12.0
177.16347	4.4
179.07115	6.8
189.12750	3.1
193.08591	15.1
195.10294	4.9
197.08066	6.9
200.69406	2.1
203.10699	5.2
203.14178	3.4
205.12265	6.0
217.12248	2.5
219.13815	2.9
221.11716	4.5
231.13779	7.1
289.28906	15.2
305.21063	2.4
307.29984	22.0
337.34756	3.2
360.79459	2.2
385.34186	2.1
392.34314	2.1
399.35962	3.5
403.35925	6.3
409.34781	3.8
417.37149	7.9
427.35684	17.3
445.36761	96.2
463.21078	2.4
463.32767	4.0
463.38049	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	464.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38601	0.6
53.03935	0.8
55.01887	0.9
57.03431	1.5
61.02921	0.9
65.03932	1.0
69.03410	2.5
70.06592	3.7
71.27302	0.7
73.02923	1.9
75.93866	0.7
79.05497	1.2
81.03431	1.1
85.02435	0.8
85.02910	10.1
86.09689	1.0
91.05489	18.1
91.06008	0.6
92.04791	1.1
93.07057	3.8
95.04974	1.2
97.02900	3.3
98.21260	0.9
100.73897	0.8
103.05459	2.4
105.07049	0.9
106.06561	0.6
107.04966	0.7
107.65876	0.6
109.02888	1.4
109.06506	0.9
110.80063	0.6
112.07605	2.4
118.06552	1.2
119.04956	7.6
121.02869	2.0
121.06506	12.7
124.08385	0.6
127.03925	2.8
133.04977	0.8
135.04439	1.1
137.05986	16.4
137.06949	0.6
137.09068	0.7
140.07095	1.3
145.02913	0.8
145.04956	5.2
146.06001	2.0
146.73164	0.8
147.04466	1.2
150.05519	0.8
153.01823	0.8
153.05460	2.1
162.05522	2.6
163.06100	2.4
164.07056	0.9
165.01851	0.8
166.04945	0.7
167.07080	0.8
169.04813	0.7
174.05565	1.6
177.05463	1.3
180.06412	2.9
181.05063	1.0
182.05272	0.8
187.11206	0.7
188.07066	1.2
190.04955	1.1
192.06613	2.1
194.08212	1.3
202.04909	0.8
204.06560	1.4
206.04547	1.0
206.08203	0.7
218.04510	3.2
220.06133	5.0
220.09662	3.3
222.07457	0.8
223.05956	0.7
224.09271	0.9
234.07664	3.2
236.05533	6.8
238.07210	1.9
243.08965	1.5
250.07111	11.7
252.08670	25.7
254.06616	0.8
264.05164	0.9
264.08752	1.4
266.06824	1.3
266.10202	2.1
267.12369	0.8
268.08124	3.6
278.06543	1.3
280.08148	1.4
282.09760	5.1
284.11124	2.3
292.08075	1.0
296.07669	15.8
300.10779	1.1
302.12000	0.7
303.04965	2.7
310.09061	3.6
324.10748	1.4
326.08652	7.3
342.11554	1.1
378.15305	1.1
432.13022	0.7
446.14978	0.9
464.15475	100.0
465.15771	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
56.96570	0.4
57.03425	0.9
60.05633	0.5
60.08144	1.3
65.03928	1.9
69.03411	1.9
70.06575	1.2
71.04990	1.4
71.57780	0.7
73.94176	0.4
79.05485	1.2
81.07050	2.0
82.58212	0.4
85.02908	4.1
87.04456	0.9
91.05481	30.4
93.07030	0.6
97.02889	1.7
97.34689	0.4
98.97572	2.7
106.06561	0.8
107.04948	0.7
107.07299	0.5
107.08604	0.6
109.02874	0.4
109.06496	1.1
112.07581	0.6
115.03930	0.7
115.08794	0.5
116.98550	0.6
118.06539	1.1
119.04940	14.5
121.02841	0.8
121.06548	0.5
127.03916	0.8
131.04945	0.7
134.05994	1.0
135.11697	0.6
136.07576	0.7
137.05977	30.6
138.05452	0.7
138.06438	0.4
140.07086	0.7
144.04436	0.5
147.04402	0.7
150.05476	0.4
151.03873	0.5
151.05011	0.4
152.07059	1.5
153.12827	0.9
158.99663	1.1
160.03888	1.1
162.05507	5.6
162.09151	2.0
164.07063	0.5
165.76750	0.4
166.08557	0.5
177.00739	0.6
178.05035	4.6
180.04959	0.7
180.06564	15.8
180.10051	0.6
182.08023	0.9
185.03955	0.9
185.54034	0.6
188.07098	0.4
194.08241	0.5
196.06097	0.5
204.06599	0.9
206.04524	1.3
206.08131	6.4
206.09914	0.8
208.06053	1.5
210.07596	0.8
211.08408	0.9
219.01624	0.5
222.07608	21.5
224.09171	28.2
225.07704	0.5
226.07076	0.8
232.05795	0.5
238.10762	0.5
240.08578	0.7
249.02832	0.7
250.07091	11.0
252.09352	2.0
252.59554	2.4
253.09508	0.5
261.10001	3.6
261.60040	3.6
262.10056	0.7
266.07635	0.7
266.10226	5.9
268.08154	14.6
269.10666	0.7
284.11279	9.5
285.11612	0.4
292.08304	0.7
297.07202	0.8
297.57571	1.1
310.09183	23.2
328.10297	8.2
381.42331	0.5
410.45691	0.5
437.69635	0.5
446.14587	0.5
464.15506	100.0
465.15811	1.5
467.64996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.4
59.40137	0.4
65.03937	2.4
69.03437	0.6
70.06602	1.0
71.04987	0.5
71.57991	0.5
79.05489	1.0
81.07091	0.6
85.02892	1.4
87.04454	0.6
91.05486	30.5
97.02916	0.5
106.06550	0.9
109.06516	1.4
119.04951	17.0
120.04476	0.6
124.03937	0.6
127.03937	0.5
131.18805	0.4
132.08095	0.8
133.05202	0.6
134.06038	2.6
135.04417	0.7
136.07692	0.4
137.05984	31.2
139.41940	0.4
145.55125	0.4
147.04373	0.4
148.03882	0.7
148.04930	0.4
150.05428	0.6
152.07092	0.5
155.01855	0.4
160.03947	1.7
160.07605	1.4
162.05513	4.1
164.07091	0.5
166.05016	0.8
166.08620	1.2
175.79971	0.4
176.07074	2.4
177.42912	0.4
178.04982	2.2
178.08720	0.6
179.07082	0.5
180.06570	3.1
185.07208	0.4
188.07065	1.1
191.05771	0.4
192.06648	1.4
193.07242	0.4
194.08131	8.5
204.06587	2.7
205.04713	1.3
205.07399	0.6
206.05055	0.9
206.08148	2.4
211.08485	0.7
216.06592	0.9
220.09639	1.2
222.07643	0.6
224.09190	1.7
232.06061	3.2
234.07593	6.0
238.07100	1.5
238.10794	0.6
248.09355	2.2
249.06360	0.4
250.07137	10.8
252.08698	4.0
253.09521	2.1
254.06641	0.6
264.08682	13.8
266.10248	41.9
268.08276	1.9
270.18600	0.5
278.06598	1.2
284.11292	8.0
292.08136	1.8
296.07712	1.6
310.09219	25.7
328.10245	2.3
446.14563	0.8
464.15561	100.0
464.26373	3.0
465.15872	1.5
467.87015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
59.05000	0.6
65.03945	5.7
67.05504	0.9
69.73088	1.0
69.73500	1.8
70.06584	0.5
71.04980	1.2
78.11521	0.5
79.58651	0.5
85.02906	1.9
87.04436	0.6
89.16950	0.5
91.05497	1.2
92.05007	1.0
92.51047	0.6
93.03406	1.6
95.04978	0.6
97.02894	0.6
98.20660	0.6
117.05787	2.3
118.06577	3.2
120.04469	1.7
121.02876	13.9
121.06527	1.1
123.04473	2.4
131.04901	0.5
132.08081	0.7
134.06055	1.0
134.09637	0.8
135.99675	0.5
136.07597	0.6
137.06027	0.9
144.03409	0.6
144.04485	8.0
146.04950	0.9
146.06030	9.9
148.03952	1.4
160.07605	2.0
161.08267	0.6
162.05508	3.9
162.09203	0.6
164.07076	1.6
167.03404	5.8
172.03917	5.0
173.54056	0.7
176.07100	4.6
177.26088	0.5
178.08656	16.3
182.99124	0.5
188.07092	10.7
190.05008	9.2
190.08632	2.3
204.06549	3.6
206.08157	9.4
216.06609	7.9
219.01805	0.7
220.09712	38.4
222.11281	26.5
234.07643	15.3
236.09245	0.5
238.10733	0.7
248.09209	19.6
248.11838	1.0
254.13927	1.6
266.07349	0.7
266.10269	12.8
276.46454	0.6
280.11813	2.1
293.11392	0.9
298.12833	0.8
388.13873	0.8
400.10309	0.8
408.28149	0.5
432.12991	29.4
464.15561	100.0
465.15945	1.4
486.31384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38601	0.6
53.03935	0.8
55.01887	0.9
57.03431	1.5
61.02921	0.9
65.03932	1.0
69.03410	2.5
70.06592	3.7
71.27302	0.7
73.02923	1.9
75.93866	0.7
79.05497	1.2
81.03431	1.1
85.02435	0.8
85.02910	10.1
86.09689	1.0
91.05489	18.1
91.06008	0.6
92.04791	1.1
93.07057	3.8
95.04974	1.2
97.02900	3.3
98.21260	0.9
100.73897	0.8
103.05459	2.4
105.07049	0.9
106.06561	0.6
107.04966	0.7
107.65876	0.6
109.02888	1.4
109.06506	0.9
110.80063	0.6
112.07605	2.4
118.06552	1.2
119.04956	7.6
121.02869	2.0
121.06506	12.7
124.08385	0.6
127.03925	2.8
133.04977	0.8
135.04439	1.1
137.05986	16.4
137.06949	0.6
137.09068	0.7
140.07095	1.3
145.02913	0.8
145.04956	5.2
146.06001	2.0
146.73164	0.8
147.04466	1.2
150.05519	0.8
153.01823	0.8
153.05460	2.1
162.05522	2.6
163.06100	2.4
164.07056	0.9
165.01851	0.8
166.04945	0.7
167.07080	0.8
169.04813	0.7
174.05565	1.6
177.05463	1.3
180.06412	2.9
181.05063	1.0
182.05272	0.8
187.11206	0.7
188.07066	1.2
190.04955	1.1
192.06613	2.1
194.08212	1.3
202.04909	0.8
204.06560	1.4
206.04547	1.0
206.08203	0.7
218.04510	3.2
220.06133	5.0
220.09662	3.3
222.07457	0.8
223.05956	0.7
224.09271	0.9
234.07664	3.2
236.05533	6.8
238.07210	1.9
243.08965	1.5
250.07111	11.7
252.08670	25.7
254.06616	0.8
264.05164	0.9
264.08752	1.4
266.06824	1.3
266.10202	2.1
267.12369	0.8
268.08124	3.6
278.06543	1.3
280.08148	1.4
282.09760	5.1
284.11124	2.3
292.08075	1.0
296.07669	15.8
300.10779	1.1
302.12000	0.7
303.04965	2.7
310.09061	3.6
324.10748	1.4
326.08652	7.3
342.11554	1.1
378.15305	1.1
432.13022	0.7
446.14978	0.9
464.15475	100.0
465.15771	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01870	2.6
56.96563	2.1
57.03441	37.2
58.59852	1.4
59.04980	1.9
61.02933	11.4
65.03948	1.5
69.03433	43.3
69.65710	7.7
71.01356	4.2
71.04996	2.9
72.53780	1.5
73.02921	77.5
81.03413	4.7
85.02907	51.1
85.03422	1.9
87.04464	8.7
91.03973	2.7
91.05489	4.3
93.07034	2.3
95.04979	2.3
97.02901	66.5
103.05490	2.8
109.02885	4.4
114.97762	1.8
115.03929	59.1
119.04969	2.2
121.02876	70.0
121.06526	16.0
127.03934	15.3
133.04970	21.9
137.05969	3.5
145.04961	16.4
147.04436	2.0
153.05473	100.0
163.03876	1.7
163.06000	5.6
178.08614	2.6
185.11800	1.4
194.12332	1.6
213.87247	1.7
222.11267	3.1
223.06076	4.7
241.07126	5.9
259.08234	5.0
266.10245	1.8
295.10339	3.2
303.05075	3.4
318.12674	1.6
449.31635	1.8
464.18652	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	464.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
53.03954	1.4
55.01876	0.4
58.73077	0.2
59.24707	0.2
62.09724	0.2
69.85052	1.2
72.08163	0.6
73.35856	0.2
77.03948	0.6
79.05492	0.3
79.46056	0.2
86.10874	0.3
91.04900	0.3
91.04995	0.1
91.05486	6.8
93.07053	12.3
95.04976	1.6
98.47881	0.2
98.97576	0.3
103.05479	8.1
104.38693	0.2
105.04551	0.9
106.12099	0.2
110.97691	0.2
111.29782	0.2
114.24683	0.2
121.06516	100.0
122.06817	0.5
140.10619	0.2
150.05534	1.6
164.07085	27.6
165.07864	1.6
166.08578	0.3
175.81334	0.2
203.22478	0.2
224.09265	0.5
225.86699	0.2
270.11295	1.6
284.12830	64.4
285.13431	2.2
344.14914	1.0
390.17032	8.6
422.19778	0.6
464.20898	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	464.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72818	0.6
53.03935	1.3
55.01863	0.8
55.05505	2.4
57.03439	9.3
59.04980	0.8
59.69727	0.6
61.02921	2.3
63.55328	0.6
64.46724	0.6
69.03432	4.9
70.06585	2.2
71.04997	53.6
71.58524	0.8
73.02931	3.8
75.04489	7.9
81.03432	2.1
83.04991	7.4
84.08154	0.8
85.02908	100.0
85.06534	2.4
86.90039	0.8
87.04472	1.9
91.05469	3.0
95.08643	0.7
97.02898	7.0
98.97616	1.5
99.04459	1.5
103.05482	1.2
106.02898	1.4
109.02899	2.3
111.04445	6.0
112.07637	1.3
117.03388	1.2
117.07066	0.8
119.04926	1.4
121.06503	8.8
122.07172	1.1
124.03999	2.7
127.03930	6.5
129.05492	37.1
131.04987	1.6
135.04398	1.3
135.08089	1.0
137.05965	5.4
140.07063	0.7
141.07021	1.0
145.02966	1.0
145.04965	5.5
145.06487	4.2
146.08194	0.8
147.04504	1.5
147.06532	25.1
149.05959	0.7
151.03947	1.0
151.07559	1.5
159.08061	2.2
161.06010	1.0
163.03914	7.8
163.06102	1.5
163.07597	3.2
164.09261	2.0
165.07628	0.8
175.07558	2.1
175.28003	0.7
177.05504	0.7
177.09332	0.6
179.07079	1.3
187.07614	6.8
205.04738	4.7
205.08614	8.4
206.05136	2.1
222.07629	0.9
224.09169	0.9
231.10277	2.9
247.09727	1.6
249.11333	1.9
250.07237	1.8
255.08789	3.0
265.10803	1.0
266.10336	0.8
267.12360	3.0
268.08362	1.0
273.09698	2.1
309.11914	2.6
310.09692	0.9
464.15823	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01870	0.6
55.05510	1.7
57.03441	8.6
61.02922	2.0
69.03426	3.4
70.06573	0.6
71.01351	0.7
71.04995	69.2
73.02911	1.9
75.04465	4.6
81.03422	1.0
83.04986	9.8
85.02907	100.0
87.04463	2.3
91.05507	0.9
95.04961	0.6
95.83006	0.5
97.02908	4.3
99.04471	1.7
101.06046	0.8
103.03947	1.5
103.05465	0.6
110.06012	0.6
111.04446	5.7
117.07024	0.5
121.02869	0.8
121.06505	10.9
127.03928	4.1
129.05486	42.5
145.04958	3.7
145.06512	2.9
146.08105	1.2
147.06534	24.3
159.08029	1.2
163.06129	1.0
163.07556	2.2
164.09198	6.7
165.07619	0.9
167.03372	3.6
175.07573	0.9
182.08241	0.7
187.07559	5.0
205.08615	6.5
229.08607	1.7
231.10294	1.1
237.07684	0.9
247.09662	0.9
249.11259	1.2
255.08656	2.8
265.10672	1.0
267.12378	1.7
273.09793	2.0
309.11823	1.5
464.15512	2.8
465.19510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
54.95752	0.9
56.05040	36.9
57.03439	1.2
60.04524	4.9
61.01155	22.1
69.03427	1.6
69.06789	0.7
69.07080	7.8
70.02956	2.4
70.06592	1.9
70.09896	0.8
70.24630	2.1
71.04987	3.4
73.02927	0.9
74.02454	3.7
74.06084	2.6
83.04977	1.2
85.02914	4.9
85.97309	0.8
86.09712	87.3
87.05602	27.3
88.04008	1.6
91.05469	2.2
92.89108	0.8
93.07043	2.0
95.04946	0.8
97.02889	1.4
98.06062	3.7
98.97573	1.5
103.05466	1.4
104.05336	100.0
107.04897	0.7
109.02885	0.9
113.06048	1.3
113.07101	1.0
116.03464	2.6
121.06520	10.8
122.06867	2.8
125.07130	1.1
125.10738	1.2
125.36208	0.8
127.03964	1.0
129.05515	2.0
133.06102	65.5
135.04439	1.2
137.05998	3.7
143.08165	42.0
147.06549	1.7
153.05522	1.8
153.06668	1.0
155.11784	1.3
163.03925	1.3
171.07611	0.9
173.07416	0.8
173.12877	8.4
182.15498	1.3
183.11314	6.3
191.06870	1.5
191.08499	14.4
199.07101	2.1
199.41641	0.9
200.16463	1.6
201.06987	1.3
201.12354	15.0
219.08046	12.4
222.07722	0.9
230.04953	0.9
244.57841	0.9
247.07530	6.7
264.10150	60.2
266.14981	0.8
269.13297	2.1
287.14279	1.5
296.14517	1.0
310.09296	0.8
313.11688	1.2
314.15335	23.0
316.09665	1.5
325.09863	1.2
332.16367	2.8
333.12341	0.9
334.10785	1.9
351.13397	15.0
361.11655	1.0
362.21872	1.3
411.39993	0.9
446.20999	1.3
447.18826	2.0
464.15897	5.0
464.21805	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	464.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.7
57.07079	5.4
64.38242	3.3
67.05515	51.7
69.07077	13.4
71.04995	7.7
71.81119	3.2
74.56494	3.3
79.05505	40.7
81.07069	57.1
83.08620	6.7
85.06556	13.1
91.05491	37.7
93.07054	56.6
95.04961	5.0
95.08620	42.4
98.21520	8.3
105.07040	42.0
107.08610	40.1
109.10166	35.6
117.06977	5.8
119.08574	13.7
121.06541	29.1
121.10140	28.1
123.11732	9.9
131.08586	18.0
133.10155	48.5
135.11734	23.7
145.10117	12.4
147.11694	6.3
149.13264	12.9
151.11224	26.6
159.11707	12.8
161.13252	8.3
163.14851	12.1
164.07103	5.6
169.12218	10.7
171.13828	9.1
173.13290	9.4
177.16454	4.6
187.13277	11.9
187.14761	5.3
230.00139	3.5
243.21176	19.6
261.22174	100.0
276.67108	3.4
284.12753	18.7
446.37091	4.5
447.34732	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	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.94221	0.2
53.03942	0.9
55.01858	0.8
57.03434	1.8
61.02934	1.8
61.26342	0.2
67.05479	0.3
68.99782	0.5
69.03432	4.9
71.04967	0.3
71.40794	0.3
73.02914	2.1
79.05496	0.4
81.03413	2.2
81.07070	0.3
83.04992	0.3
85.02912	11.0
86.73522	0.3
87.04467	0.4
91.03941	0.6
91.05476	0.4
93.03429	0.3
93.07048	2.0
95.04968	0.4
95.08619	0.6
97.02904	5.7
99.04454	0.5
103.03970	0.4
105.07045	0.6
107.08618	2.2
108.13045	0.3
109.02881	1.5
111.00815	0.8
115.03957	1.5
121.02885	1.1
121.18656	0.3
123.04440	0.5
127.03919	2.7
135.11719	2.9
137.02362	3.2
137.03325	0.5
145.04950	2.5
149.02345	0.5
153.01830	3.9
153.12746	1.6
163.03947	0.7
163.11162	0.3
165.01836	1.9
165.33932	0.3
166.02599	0.4
183.02887	0.7
187.03854	0.4
187.68842	0.3
195.02963	0.3
201.05539	1.7
203.20686	0.3
211.03560	0.3
229.04944	5.0
238.66055	0.4
247.06126	0.8
256.17462	0.3
257.04443	2.7
274.04755	0.9
275.05484	0.3
285.03958	1.3
303.05011	100.0
304.05243	1.8
316.72635	0.3
465.18512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	0.6
55.01868	0.7
55.05522	0.1
57.03445	1.2
61.02932	1.6
62.80862	0.1
67.01867	0.1
67.05479	0.2
68.99797	0.7
69.03080	0.2
69.03435	3.6
71.04979	0.4
73.02927	0.9
78.97836	0.1
79.05492	0.2
81.03426	1.7
81.07050	0.1
83.01343	0.2
85.02911	9.8
86.03232	0.1
87.04465	0.4
90.14673	0.1
91.03939	0.5
93.03415	0.3
93.07043	0.4
94.07380	0.1
95.04979	0.3
97.02901	3.9
98.97585	0.5
99.04489	0.6
103.05472	0.1
107.08589	0.5
109.02896	1.2
110.03632	0.1
111.00818	0.9
115.03920	0.2
117.07017	0.2
121.02870	1.2
121.06544	0.2
123.04447	0.3
125.39666	0.1
127.03925	1.9
127.26948	0.1
131.05009	0.1
133.06467	0.1
135.08072	0.6
135.11702	0.2
136.08401	0.4
137.02359	3.8
137.03403	0.3
145.04973	2.2
145.06255	0.2
149.02338	0.4
153.01839	4.1
155.04875	0.3
161.05992	0.2
163.03900	0.7
165.01855	2.1
166.02670	0.2
173.05977	0.5
176.66034	0.1
179.03383	0.2
183.02895	0.9
183.04465	0.4
187.03918	0.3
191.03476	0.2
192.95428	0.2
195.02896	0.2
201.05501	2.1
205.04968	0.2
216.89462	0.1
219.06543	0.3
228.04234	0.3
229.04962	4.7
239.03407	0.2
247.06142	0.6
251.09546	0.1
257.04468	3.1
266.43478	0.1
274.04721	0.8
275.05380	0.2
285.03979	1.2
303.05008	100.0
303.41354	0.1
304.05316	1.6
307.45337	0.1
315.05142	0.3
345.06116	0.3
371.14117	0.2
465.10806	0.1
465.18527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03935	0.6
55.01869	0.9
56.96571	0.2
57.03429	0.9
61.02931	1.6
63.10322	0.2
65.03936	0.2
68.99779	0.5
69.03429	3.6
69.14455	0.2
70.06615	0.3
70.98637	0.3
70.98975	0.3
71.04980	0.4
73.02896	0.7
81.03416	1.8
83.01321	0.2
85.02911	11.1
87.04449	0.4
91.03944	0.5
91.05464	0.5
93.03400	0.3
95.04977	0.4
96.97806	0.2
97.02900	3.2
98.65471	0.3
99.04471	0.6
109.02892	1.5
111.00813	1.1
121.02862	0.8
121.06506	0.5
123.04466	0.4
127.03926	1.9
131.04857	0.2
134.27425	0.2
135.04424	0.3
137.02345	3.6
137.05998	0.3
145.04971	2.0
149.02301	0.6
153.01833	4.9
155.04878	0.3
156.39651	0.2
161.06017	0.3
163.03917	0.8
165.01842	2.0
166.02646	0.3
173.06053	0.5
183.02922	0.7
183.04413	0.3
187.03923	0.3
201.05486	1.9
228.04239	0.3
229.04976	4.6
229.07249	0.3
247.06062	0.7
251.43874	0.3
257.04465	2.6
274.04810	0.7
285.04001	1.3
297.06848	0.3
300.46420	0.3
303.05005	100.0
304.05246	1.2
315.04950	0.4
345.06042	0.5
465.16370	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01871	0.7
55.05517	0.4
56.96583	0.3
65.03944	1.3
65.51501	0.2
66.04726	1.5
67.05507	2.0
68.99789	4.8
69.00165	0.3
69.03436	1.3
69.07061	1.1
71.59062	0.4
79.05498	4.4
81.03416	1.4
81.07054	3.4
83.08627	0.4
85.02921	0.3
86.91212	0.3
90.76995	0.2
91.05492	4.6
93.03405	1.2
94.04180	1.9
95.04980	1.7
95.08614	0.9
97.02895	0.9
97.10187	0.5
105.04515	0.3
105.07022	0.4
106.53922	0.3
107.04961	1.9
109.06527	14.9
109.10144	1.0
111.04449	1.1
119.04939	1.7
121.02869	3.1
121.06526	0.6
121.10162	0.3
122.03659	3.9
122.06847	0.3
123.00795	1.6
123.04409	0.7
123.11731	0.5
125.06056	0.3
135.04427	0.8
137.05983	51.4
138.06316	0.7
139.03922	0.7
141.01862	1.1
147.04416	0.5
149.02356	7.3
150.03067	0.4
151.07568	2.2
153.05446	0.6
155.03293	0.4
155.21101	0.3
161.93874	0.3
163.03891	0.7
165.05482	100.0
166.05844	1.0
167.03424	2.7
177.05481	0.3
181.04959	1.6
187.65454	0.3
191.03444	1.7
209.04465	7.0
211.02733	0.3
223.05962	1.3
227.05473	0.9
241.07074	1.1
267.26770	0.7
269.06534	2.5
283.08115	3.0
303.04898	0.6
465.18607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05502	1.5
55.25998	0.4
65.03928	0.5
67.05494	2.0
69.07082	4.0
70.65953	0.4
71.57859	0.7
79.05498	3.0
81.07067	2.9
83.08609	2.1
86.70029	0.5
91.05503	3.1
93.07042	8.4
93.91638	0.5
95.04949	1.4
95.08613	7.2
103.05521	0.8
105.07009	3.5
107.04982	0.6
107.08604	7.1
109.06513	0.8
109.10159	3.6
115.05493	0.5
117.07038	0.5
119.08585	1.7
121.06518	9.1
121.10144	13.5
122.06831	2.3
123.08041	0.6
126.00054	0.5
128.06226	0.5
129.07034	1.0
129.72131	0.5
131.08559	1.2
133.10179	1.1
135.08015	0.5
135.11662	2.2
142.07802	1.1
143.08553	1.3
145.06465	0.8
145.10120	1.4
149.13217	1.0
155.08600	0.9
156.09364	1.1
157.10153	1.6
159.08051	2.2
159.11688	1.0
161.09653	1.1
164.07074	1.1
167.08546	0.6
168.51125	0.5
169.10141	1.5
171.11742	0.9
171.15634	0.6
177.16409	6.7
179.10585	0.5
181.10175	0.6
183.11713	1.0
185.04166	0.7
185.09587	1.1
193.10114	0.8
195.11707	1.2
203.05200	0.9
203.10699	0.5
207.11719	0.9
209.13118	0.7
215.10657	0.8
219.11693	0.7
233.13274	0.8
233.89870	0.5
235.14777	0.6
237.12691	0.6
245.06339	4.7
247.14804	0.5
249.12656	0.7
258.14349	0.6
275.11169	0.5
275.14447	0.7
281.15189	0.5
284.12854	1.2
285.13156	2.2
287.03754	2.7
289.05310	100.0
373.21622	0.8
401.21207	1.3
419.22238	1.9
421.22000	0.8
429.20328	1.5
437.59274	0.5
447.21622	1.6
465.21005	25.4
472.08377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01871	1.5
55.05509	1.3
57.03433	1.5
65.03925	1.0
66.04739	0.9
67.05515	4.6
68.99789	3.8
69.03439	4.2
69.07059	1.1
69.66291	4.5
72.22130	0.8
74.19614	0.7
75.04488	1.2
79.05492	7.4
81.03421	5.3
81.07074	5.3
85.02912	3.1
91.05481	10.6
91.44023	0.8
93.03425	0.9
93.07053	24.6
95.01337	1.2
95.04977	3.9
95.08614	4.2
97.02898	3.3
97.06536	1.0
99.04450	0.9
103.05467	1.7
105.03483	0.8
105.04504	1.0
105.07052	3.8
106.07970	0.8
107.04972	2.5
107.08604	3.7
109.02877	2.4
109.06528	5.2
109.10181	4.9
111.04424	1.1
117.07013	1.2
119.04947	3.6
119.08582	4.1
121.02866	3.8
121.06510	15.1
121.10150	17.1
122.03654	3.7
123.00813	3.7
123.04424	2.5
125.05962	0.9
127.03932	2.4
128.06259	2.8
129.07001	6.6
131.04973	1.9
131.08618	1.5
133.06479	2.4
135.04457	1.5
135.08055	1.0
137.05986	59.2
137.09636	1.8
139.03833	0.9
143.08566	2.5
145.02843	1.6
145.06512	1.9
147.04478	2.7
147.08087	4.4
149.02353	9.1
149.05997	18.4
149.09644	4.3
151.03896	1.6
151.07544	4.7
153.05455	2.4
155.03447	1.3
157.06519	2.5
159.08049	1.8
161.06003	3.5
163.03917	1.7
163.07545	2.7
165.05489	100.0
167.03424	4.3
167.07057	20.2
167.10704	3.5
171.08063	2.6
173.06033	1.5
175.07558	15.9
177.05531	2.0
179.07024	1.6
181.04994	9.1
181.06487	1.6
183.08020	1.7
187.07526	2.0
189.05490	1.1
189.09117	15.6
191.03371	5.5
191.07047	2.6
191.10725	2.3
193.08614	12.0
194.13289	0.8
199.07515	1.2
201.09167	2.6
203.06909	0.9
203.10678	1.3
205.08607	2.4
207.10179	6.5
209.04552	3.9
211.07469	0.9
215.07047	1.2
217.08578	1.2
219.10123	1.1
223.06020	10.3
227.10585	1.1
229.08618	4.3
229.12239	5.4
239.14302	1.3
241.07092	1.7
245.08124	1.9
247.13437	1.6
255.10403	0.9
257.08173	1.7
257.15372	6.8
263.09140	1.5
267.13828	2.8
275.16382	7.1
285.14856	15.9
303.04947	1.0
303.15939	11.8
313.14426	1.1
411.17783	1.3
429.19046	2.4
447.20370	4.7
465.18430	4.9
488.75195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01868	2.6
55.05502	3.0
57.03433	2.0
65.03934	3.0
67.05515	7.3
68.99776	4.4
69.03418	4.9
69.07060	2.2
71.57865	2.2
74.55431	1.5
75.04478	2.3
79.05493	13.4
81.03406	9.2
81.07066	8.4
84.08103	1.6
85.02927	7.3
91.05488	22.2
93.03426	1.9
93.07048	47.9
95.04967	6.4
95.08611	8.2
97.02882	5.2
103.05455	5.9
105.07025	7.0
107.04937	4.4
107.08602	5.7
109.02881	3.6
109.06499	5.1
109.10152	7.6
111.04440	2.2
111.08050	2.2
115.05418	1.9
117.07014	2.1
118.16973	1.5
119.04932	2.8
119.08579	9.9
121.02850	6.5
121.06514	37.3
121.10143	25.3
122.03657	3.5
123.00775	3.4
123.04427	4.5
123.08081	1.7
127.03896	3.5
128.06218	5.7
129.07016	20.7
131.04910	4.8
131.08533	3.0
133.06491	4.3
133.10153	2.5
137.05988	70.7
137.09619	3.4
139.03934	2.1
143.08568	4.4
145.06476	3.8
147.04449	7.6
147.08022	11.0
148.04771	2.6
149.02371	8.9
149.05998	43.1
149.09645	7.5
151.03920	2.2
151.07574	8.8
157.06476	5.5
159.08047	1.9
160.05110	2.1
161.05952	6.1
163.03792	2.8
163.07582	5.5
165.05486	100.0
167.03372	3.6
167.05640	2.5
167.07050	42.4
167.08437	3.4
167.10649	7.6
171.08095	3.8
173.05951	3.1
175.03754	1.7
175.06047	2.4
175.07564	47.5
177.05463	3.7
179.07031	3.2
181.04999	8.9
181.06302	1.5
185.09529	2.2
187.07532	4.9
189.09125	21.9
191.03413	4.2
191.07010	5.4
191.10724	2.5
193.08612	39.7
199.07597	1.6
201.09097	3.1
203.10686	3.0
205.08517	3.0
207.10155	12.4
209.04468	5.9
211.07436	2.6
223.05992	5.8
224.09155	2.3
225.09360	2.1
229.08592	5.8
229.12198	7.1
239.14316	3.7
241.07002	2.1
241.12090	2.0
245.08145	3.0
257.15393	9.4
267.10461	2.7
267.13837	3.4
275.04880	1.8
275.16504	10.0
285.14838	27.3
299.12793	3.0
303.04977	2.3
303.15942	17.9
313.14847	2.0
327.15915	2.2
341.13754	1.9
354.13144	1.5
373.51401	1.4
393.17273	1.6
411.18091	2.3
429.19110	2.4
447.20230	7.8
465.19559	8.7
465.26331	2.3
465.33417	2.1
487.38049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2276
Annotation	Mexicanin F
Peak:m/z	Relative Intensity
53.03950	2.6
55.01875	2.2
55.05506	6.4
56.96560	2.3
57.49796	2.3
65.03930	3.1
67.05489	5.9
69.03423	3.3
69.07060	6.7
69.68221	8.2
69.68636	4.4
71.04982	3.3
72.08149	2.8
79.05502	18.0
81.07072	19.0
81.25774	1.8
83.04968	4.7
85.02914	8.8
91.05476	23.3
93.06481	2.5
93.07050	28.1
95.04956	6.5
95.08589	8.3
97.10139	2.0
103.05461	3.3
105.04482	1.9
105.06374	3.5
105.07037	39.7
107.04884	3.1
107.08598	18.3
109.06490	3.4
109.10163	4.0
113.02372	3.8
115.05472	3.5
117.07013	12.6
119.08593	25.0
121.06510	42.3
121.10150	6.1
122.06812	12.5
125.06013	4.2
128.06236	5.8
129.07019	9.8
129.12772	3.6
130.07718	2.5
131.08585	22.7
132.66103	2.0
133.10143	12.7
135.08047	2.7
137.05962	3.4
141.06973	7.5
141.71442	1.9
142.07770	15.1
143.08578	29.0
145.06499	5.7
145.10133	29.6
147.08093	4.3
147.11694	8.4
149.05984	5.4
151.07553	4.0
153.07040	4.9
155.08539	11.4
156.09396	10.2
157.10138	37.0
159.08031	6.3
159.11696	16.9
161.06029	3.2
161.09628	2.6
163.07562	6.6
164.07051	14.1
165.07156	7.7
167.08569	5.0
168.09296	4.8
169.10149	19.6
170.10901	4.4
171.08040	2.9
171.11687	17.8
173.09631	3.7
173.13348	4.2
177.09158	4.9
179.08549	7.9
180.09383	2.9
181.10143	11.1
181.52209	2.1
182.10956	3.3
183.08047	3.6
183.11728	17.9
185.09645	8.7
185.13246	6.6
191.10715	4.2
192.09300	3.6
193.10118	11.9
194.10905	6.1
195.11726	14.0
197.09602	4.5
197.13258	7.1
199.11153	3.8
201.09128	6.9
203.10657	11.9
205.10139	4.4
206.10901	5.7
207.11710	10.4
208.09639	2.3
208.12463	3.4
209.13219	13.7
211.11185	4.3
211.14809	2.3
213.09161	4.8
215.10672	5.8
216.09169	2.4
217.12128	9.9
218.11005	3.9
219.11691	5.8
220.12500	6.1
221.13228	11.4
223.11334	4.4
223.14880	9.1
225.12769	3.2
226.10764	2.3
227.10666	4.9
229.12283	9.6
231.11766	4.2
232.12485	5.4
233.13248	9.3
235.14809	5.3
237.12653	3.7
239.10538	2.6
241.12306	3.8
243.11740	4.7
243.13924	2.4
244.12477	4.8
245.13316	6.5
246.13931	2.5
247.14900	10.0
249.12860	2.7
249.16451	2.4
251.10733	2.5
251.14569	2.1
253.12212	4.4
255.13837	7.9
257.13239	4.5
258.14154	2.8
259.14914	6.3
261.16336	4.2
263.14136	3.6
267.13754	6.8
268.11990	2.7
269.15454	3.0
271.14835	4.1
273.16428	6.6
277.12137	2.7
277.15982	2.5
279.13828	5.7
284.12817	9.9
285.13086	14.1
285.16299	5.0
287.14319	3.3
287.17807	4.5
289.15884	2.9
293.15475	4.4
295.13525	3.0
295.17059	3.1
299.17850	4.2
305.15347	4.3
317.15302	2.7
319.17068	2.6
327.21133	5.3
331.16925	4.3
333.18500	3.5
345.18707	4.2
347.16443	2.7
353.17722	2.2
355.20709	5.7
359.20090	2.9
373.21677	28.2
375.23093	8.5
383.20029	10.9
387.19531	2.6
391.17288	3.4
401.21161	39.2
411.19778	3.7
419.22162	71.5
421.23734	4.7
429.20703	16.4
447.21683	50.4
465.22733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88581	0.9
53.03926	1.5
57.03420	3.7
57.07053	1.1
59.05001	2.0
60.64752	1.0
61.02955	1.0
69.03436	6.8
69.07057	2.0
70.32359	3.6
71.04994	15.3
73.02914	5.9
73.06544	2.5
79.05482	4.5
81.07062	17.9
83.31150	0.9
85.02913	12.5
85.05305	1.1
86.17378	0.9
87.04446	2.6
91.05470	3.0
92.05788	1.2
93.07050	12.8
94.07395	1.4
95.08595	2.7
97.02889	10.9
97.06550	1.6
103.05499	1.3
104.05770	1.3
105.07011	1.2
107.08581	9.9
109.10148	2.8
115.03942	8.0
121.06506	7.0
122.06824	4.7
123.07117	1.2
127.03910	2.8
133.04936	2.8
135.11707	18.2
140.74695	0.9
145.04900	3.2
153.12750	100.0
163.06017	2.5
179.08868	1.1
204.10196	1.0
227.92470	1.0
238.09782	1.8
239.09966	1.1
266.09625	1.2
267.10498	2.1
268.10858	2.6
269.11078	1.7
311.09515	2.5
312.09647	4.2
313.09894	4.2
430.45566	1.0
465.18277	21.3
489.51062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51283	4.6
57.03433	15.4
64.21126	5.0
67.05503	7.1
69.03430	34.8
69.07069	12.9
71.04984	16.7
73.02919	11.6
79.05455	8.3
81.03427	7.2
81.07056	26.9
83.08627	4.6
85.02906	42.9
87.04443	12.0
91.05453	14.0
93.07042	26.5
95.05007	6.0
95.08593	13.3
97.02905	27.3
97.06529	5.7
97.33063	4.3
103.65040	4.4
105.07008	8.6
107.08603	31.3
109.06516	12.9
109.10124	12.4
115.03937	31.2
119.08604	10.5
121.06497	9.7
127.03901	8.2
133.04991	29.4
135.11720	28.2
137.05956	6.5
145.04926	13.1
145.38734	4.7
151.11203	6.2
153.12753	100.0
171.13879	5.6
195.13889	5.2
278.06860	4.6
285.16940	10.6
297.16855	5.9
303.05008	52.5
429.10648	4.8
465.18051	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	465.2355
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
50.41309	0.8
53.03945	1.6
54.69801	0.8
55.05517	1.6
57.03439	3.1
59.04999	1.8
61.02919	1.6
69.03443	8.0
69.07074	1.7
70.20433	3.3
70.26797	0.9
71.04999	13.4
73.02934	5.5
73.06568	4.2
79.05508	3.9
81.03436	1.5
81.07066	19.0
83.08653	1.0
85.02913	9.0
91.05502	4.1
92.05808	1.0
93.07061	13.5
95.04977	1.0
95.08650	2.4
97.02906	8.6
97.06586	0.9
98.20785	0.9
103.05472	2.0
107.08598	8.7
109.02865	1.2
109.10172	1.7
111.08049	1.1
115.03924	6.0
116.35454	0.9
121.06499	7.4
122.06848	4.1
123.07104	1.9
127.03945	2.3
129.07396	0.9
133.04967	1.6
135.11697	20.7
145.04984	2.8
153.12759	100.0
163.06006	1.1
172.07581	1.0
204.10283	1.5
205.10556	1.6
206.10744	1.1
237.09288	1.7
238.09903	1.1
248.14194	0.9
251.07047	1.0
259.08200	1.2
265.08865	1.5
266.09415	1.0
267.10553	2.5
268.10815	2.1
269.11111	2.5
283.09677	1.5
294.08426	1.0
301.10593	1.6
310.09116	1.5
311.09552	2.5
312.09656	6.6
313.10001	4.9
319.11600	1.0
352.45551	1.0
381.90826	0.9
465.18362	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2334
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
53.03903	3.1
55.01850	1.3
55.05468	2.2
55.05714	0.6
56.50517	0.7
57.03429	3.7
61.02925	3.2
67.05463	2.3
69.03432	14.3
69.07025	1.2
70.06599	3.5
71.04939	0.8
71.06895	1.0
71.58754	1.0
72.08114	0.8
79.05507	4.7
81.03391	2.6
81.07069	3.9
83.04960	1.6
85.02912	18.7
86.09661	0.6
87.04481	7.3
91.03949	1.5
91.05486	9.0
91.86411	0.7
92.05746	0.9
93.07051	22.8
94.07343	1.7
95.04925	2.9
95.08609	3.5
97.02898	11.9
99.04411	1.4
103.05408	2.4
104.05740	1.9
105.04470	1.0
105.07032	4.4
107.08602	21.5
109.02913	3.3
109.06458	1.3
109.10149	1.5
112.07546	1.7
115.03939	10.5
117.06989	1.2
119.08554	1.9
121.02816	1.1
121.06529	9.6
121.10094	2.9
122.03609	1.5
122.06860	4.7
123.04382	1.2
123.07066	1.9
124.07402	0.6
127.03881	2.9
131.04900	1.7
133.04965	13.6
133.10043	1.6
135.08034	0.7
135.11694	17.5
135.91396	0.8
137.02354	3.2
137.05016	0.9
137.05984	14.2
140.07027	1.2
143.08539	1.5
145.04919	4.3
145.06314	0.9
147.11674	1.0
151.03879	1.0
153.01843	5.7
153.12779	3.6
157.10065	0.8
159.11613	1.3
161.09552	0.7
162.05411	0.8
163.03917	0.9
163.05884	1.3
163.07515	2.9
165.01813	1.6
177.12758	2.0
183.02859	1.1
194.00015	0.7
194.08214	1.2
195.08415	1.5
201.05473	1.6
201.12402	0.8
223.05933	0.9
223.08015	1.2
229.04982	4.0
236.08981	0.7
237.09477	1.6
238.10612	2.8
239.11276	3.4
240.11301	3.6
241.11496	2.9
249.14978	0.9
257.04358	3.5
265.08740	1.2
280.11719	0.7
281.12231	1.0
284.10257	1.1
285.03897	1.3
285.10477	1.1
295.10358	0.9
299.13046	0.7
300.13388	0.8
301.13565	1.2
303.05011	100.0
304.05325	2.2
323.12683	0.7
324.10980	0.9
325.11169	1.0
326.11328	2.8
327.11600	3.5
328.63818	0.7
386.02786	0.8
388.64346	0.7
414.28598	0.6
465.18484	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
53.58812	1.9
55.01870	4.4
55.05499	7.6
57.03442	19.2
57.07064	3.9
59.05005	2.6
61.02918	7.4
66.19004	2.0
67.05515	3.8
69.03134	2.3
69.03438	28.1
69.07063	20.1
69.46119	15.0
71.01346	4.3
71.05003	17.4
73.02925	40.8
73.06561	2.9
79.05479	9.9
81.03416	5.2
81.07064	20.8
83.08593	3.4
85.02423	3.3
85.02912	48.1
87.04473	2.6
90.69611	2.0
91.05494	12.4
93.07046	42.9
95.04942	2.8
95.08591	8.5
96.91206	2.1
97.02893	37.4
97.06545	4.9
98.21192	8.3
99.04546	2.4
105.07036	5.3
107.08607	35.9
109.02871	3.9
109.06498	4.3
109.10165	14.6
115.03947	26.1
119.08570	11.1
121.06551	2.5
123.11712	2.4
125.13273	8.6
127.03900	12.1
127.11197	8.5
133.05014	11.4
135.11702	44.7
145.04930	11.3
145.10173	2.6
153.12753	100.0
163.06004	6.0
165.12793	12.9
171.10220	3.2
173.09576	2.6
177.12762	5.9
189.12718	2.6
195.13872	3.4
211.64006	2.0
241.07092	4.6
259.08270	3.5
261.15036	4.7
277.63876	2.4
297.17270	3.6
303.05035	34.9
315.17993	12.2
448.21295	2.2
472.17737	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2826
Annotation	Tritoniopsin D
Peak:m/z	Relative Intensity
52.34287	0.4
58.80515	0.5
67.05466	0.8
69.55820	3.4
81.07025	1.2
91.05458	0.5
93.07027	0.7
95.08621	0.9
97.30330	0.4
98.21475	1.0
127.48109	0.4
137.05003	0.4
159.11697	0.5
255.49246	0.5
277.37985	0.4
303.04947	2.1
373.11618	0.5
392.90457	0.5
437.64114	0.5
465.28110	100.0
466.28387	1.4
474.93295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01886	2.0
55.05507	4.5
56.91471	1.2
56.96570	3.0
57.03431	3.6
57.07073	4.3
61.02918	3.7
67.05511	16.1
69.03434	9.3
69.07079	8.4
70.69213	2.5
71.05013	1.9
75.07714	1.3
76.78239	1.1
79.05495	12.1
81.03413	4.3
81.07063	45.2
83.04984	2.2
83.08604	3.2
84.96043	3.0
85.02916	21.7
91.05495	12.4
93.07052	23.9
95.04971	3.1
95.08063	1.6
95.08622	23.4
97.02908	7.5
97.10172	1.5
98.97591	6.5
99.04486	2.0
101.05999	1.4
105.07047	16.6
107.04947	1.3
107.08604	10.8
109.02890	2.3
109.06554	2.2
109.10173	11.9
110.97563	1.4
112.99143	3.2
115.05469	1.6
116.98611	2.7
117.07005	4.6
119.08594	16.7
121.06520	8.8
121.10150	10.9
123.11720	100.0
127.03925	2.5
131.00142	3.6
131.08615	7.8
133.10118	8.1
135.11678	3.6
142.07845	1.9
143.08559	3.6
145.04936	2.0
145.10150	14.8
147.11717	6.8
149.13300	1.6
155.08430	1.5
157.10095	6.1
158.99628	2.4
159.11703	12.9
161.09618	1.6
161.13310	3.0
163.11180	4.0
169.10143	3.4
171.11722	3.9
173.01233	1.7
173.13290	5.4
175.14859	2.8
177.00742	2.9
181.09984	1.6
181.12216	2.3
183.11638	1.5
187.14848	2.4
191.02226	2.3
191.14302	1.3
195.11772	1.5
197.13275	1.7
199.14868	2.0
207.13911	1.5
211.14693	2.1
215.17972	30.9
219.01779	1.8
227.17950	1.4
229.19495	3.7
237.02803	1.7
267.21054	4.7
269.22675	1.4
285.13208	1.8
285.22226	7.7
287.23718	3.0
303.23203	34.6
355.26392	2.9
371.59216	1.4
373.27631	3.0
398.76486	1.5
423.20535	7.3
447.31104	4.6
465.21671	8.6
465.31897	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	465.3943
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
55.05515	9.0
56.53608	1.0
57.07084	5.4
67.05493	1.7
69.07067	5.6
71.08633	4.7
71.57844	1.2
79.05473	1.3
81.07034	3.0
83.04478	1.8
83.04980	28.8
83.08614	3.0
85.10171	2.2
91.05473	2.9
93.07051	6.7
95.08597	4.3
97.10153	3.0
99.08089	1.7
107.08568	2.9
109.06523	1.9
109.10161	1.3
110.53471	1.1
111.08052	3.8
111.11691	1.5
119.38412	0.9
121.06511	17.0
121.10147	1.6
123.08041	2.6
127.07576	7.7
135.08067	6.1
137.09596	3.7
139.07544	39.9
149.09659	2.3
151.07524	1.1
153.09102	4.1
163.07558	9.2
163.11208	1.4
165.09105	2.0
167.10649	1.8
169.08647	1.3
181.08594	6.3
181.12256	1.8
212.55688	0.9
223.13387	1.5
237.14854	1.1
255.89464	0.9
265.03583	1.0
265.18158	1.3
279.19873	1.1
289.61545	1.1
350.10019	0.9
447.38345	100.0
448.39063	1.2
465.22241	1.6
465.33179	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	465.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.1
57.07086	6.9
63.65948	1.6
67.05482	1.7
69.07072	4.8
71.08625	4.2
71.24081	2.3
78.81877	1.7
81.07042	3.9
83.04981	24.2
83.08627	4.1
85.10184	3.4
89.31355	1.5
91.05501	3.0
93.07063	7.0
95.08617	4.1
97.06541	1.6
97.10193	2.3
97.95536	1.4
105.07029	2.4
107.08620	3.1
108.13708	1.6
109.06490	2.1
109.10195	2.1
111.08106	3.1
121.06529	13.0
123.08023	1.9
124.47517	1.7
127.07556	4.2
127.86824	1.4
133.67221	1.3
135.08076	5.1
137.09622	2.8
139.07542	40.0
139.69049	1.4
145.10135	1.8
149.09630	3.4
151.07542	2.6
153.09160	4.2
163.07541	8.5
165.09100	3.2
167.10759	2.2
181.08615	4.9
325.40024	1.5
447.38379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01859	1.9
55.44548	0.8
57.03432	3.3
60.16122	0.7
61.02920	3.5
61.50373	0.7
66.94752	0.8
67.05502	1.0
69.03436	12.7
70.06583	0.8
71.04994	2.3
71.55972	1.0
72.08150	3.3
73.02907	1.9
73.74930	0.8
81.03435	4.9
84.08156	1.3
85.02911	25.4
87.04466	3.6
91.03957	0.9
91.05482	3.5
97.02887	8.2
99.04458	2.7
101.02390	1.1
103.03961	0.9
109.02911	4.0
118.08639	1.8
119.04954	3.0
121.06490	1.9
127.03935	5.7
134.06032	1.6
135.04411	1.1
136.07576	8.5
145.04984	2.3
146.06021	2.1
151.03943	2.4
152.07086	3.8
156.08054	1.7
164.07002	1.6
170.06050	2.8
170.09618	1.1
172.07593	1.7
178.08676	1.0
184.07574	2.8
184.11121	0.9
185.08380	2.1
186.09137	1.0
196.07585	1.1
196.97525	0.8
197.08430	3.8
198.09181	16.4
199.06248	0.8
200.10927	0.9
202.08687	1.0
204.10289	1.0
210.09181	5.6
212.07089	15.2
212.10736	3.2
213.07843	1.3
214.08586	2.3
215.09387	1.3
216.10185	9.4
221.42641	0.9
222.09077	2.1
225.07951	1.7
226.08644	1.0
228.06546	1.9
228.10254	3.1
230.08150	23.0
238.08719	2.9
240.06532	1.5
240.10196	12.2
241.07375	3.2
242.08293	1.9
250.08759	1.1
256.09729	2.7
258.07574	1.6
258.11310	22.7
259.08456	4.4
268.09720	6.8
270.11255	0.9
272.09213	2.0
276.12387	2.1
277.84418	0.8
282.11182	1.5
286.10764	19.4
300.12265	2.1
304.11813	74.0
305.12314	1.4
308.11288	0.9
328.11884	1.4
346.12897	2.3
370.37122	0.8
420.16647	4.7
448.15781	1.5
466.17130	100.0
467.17633	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68962	0.5
53.00314	0.6
53.03946	0.7
55.01870	1.4
55.05506	1.3
56.05033	1.9
56.96555	0.7
57.03442	18.0
60.04515	1.0
61.02935	5.8
67.05502	1.3
69.03078	1.0
69.03437	16.7
70.06599	3.5
71.01347	2.1
71.04993	1.5
71.58385	0.9
73.02927	37.2
79.05491	0.9
81.03423	2.9
81.07034	0.7
83.05002	0.8
84.08148	0.8
85.02913	30.4
85.06517	0.7
86.09710	3.5
87.04462	3.0
87.05602	1.5
89.03932	1.3
91.03946	0.9
91.05482	10.0
93.07090	0.7
94.04291	0.6
95.04989	0.7
97.02902	31.7
97.10184	0.7
98.06049	1.7
98.97598	2.4
99.04494	0.9
99.06424	0.8
103.03919	0.9
103.05460	1.5
104.05327	1.9
105.07050	1.2
106.04912	2.2
107.04967	1.2
107.08604	0.8
109.02900	2.8
109.06519	1.5
111.03475	0.6
111.04407	0.8
112.07638	1.2
113.07922	0.6
115.03941	20.8
115.05434	0.9
116.98604	0.8
117.03374	0.9
119.04961	7.3
119.08606	0.8
121.06517	3.4
123.04426	1.1
125.09639	1.4
126.09974	0.8
127.03930	8.1
128.98630	0.7
129.07018	1.1
131.04922	4.8
132.06584	1.0
133.04979	6.7
133.06201	2.4
135.04424	2.2
137.05991	100.0
138.06357	1.0
141.06972	0.9
143.08186	1.4
145.02913	1.0
145.04973	8.6
147.04472	1.4
147.11694	0.9
149.05966	3.7
150.07648	3.7
151.07561	4.9
154.08641	1.4
155.05782	0.9
155.07042	16.1
155.08241	1.2
157.06461	1.7
158.99799	0.6
161.06018	3.5
163.03928	8.9
163.06047	3.2
163.07568	2.1
165.05569	2.8
167.07068	5.6
175.07536	2.2
177.05473	0.8
179.07051	8.9
182.15463	4.5
183.15787	3.6
185.05972	0.7
187.07538	0.9
189.09169	1.0
191.07042	1.8
193.04984	0.7
195.06625	1.1
197.08054	1.2
199.07588	0.9
200.16479	10.4
201.16826	11.6
203.07048	3.3
205.08659	0.8
217.08716	1.1
219.01686	1.1
221.08101	3.4
223.06056	2.7
233.08086	3.9
233.15663	0.7
237.02887	1.6
241.07016	2.8
245.08186	2.6
251.09090	5.0
259.08194	2.5
263.09158	7.2
266.09976	1.2
269.10153	0.7
281.10217	3.5
292.08151	0.7
295.10291	2.8
299.11331	1.3
304.05386	0.8
304.23099	1.4
310.17557	0.9
316.15036	0.8
317.12244	3.5
334.14969	1.2
362.21753	3.3
363.17468	1.1
363.22031	12.6
397.07947	0.9
466.12964	1.2
466.19815	1.3
466.28036	1.4
467.15735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
56.96552	1.9
57.03195	1.2
57.03441	15.4
59.04998	1.4
60.04519	1.1
61.02930	4.9
69.03431	27.9
69.64743	5.1
70.06585	1.1
71.01349	1.8
71.04976	3.1
73.02916	25.2
80.58942	0.8
81.03406	2.8
81.07045	0.9
85.02906	31.5
86.09685	0.9
87.04472	10.8
89.03932	1.0
91.03909	1.2
91.05482	9.8
93.07026	1.7
97.02895	33.9
98.97569	2.5
99.04452	1.5
103.05511	1.3
107.04951	1.9
109.02874	2.3
110.97556	0.9
115.03931	31.7
116.98509	0.8
117.03354	1.1
119.04960	6.7
120.08099	1.1
121.06516	3.3
127.03928	6.9
128.98602	1.1
129.05460	1.0
131.04910	3.4
133.04971	20.0
133.06451	1.8
135.04420	1.3
137.05980	100.0
138.06299	1.5
145.04973	6.4
147.04437	1.8
149.05971	5.4
150.07571	2.4
151.07576	5.2
155.07034	16.1
157.06435	1.1
161.05981	3.7
163.02679	0.9
163.03893	4.0
163.06003	1.9
163.07462	1.3
165.05467	5.4
167.07065	9.3
169.04993	1.1
172.32774	0.9
173.05930	1.3
175.07544	2.2
177.05484	2.9
177.52614	0.8
179.07045	12.8
181.05023	0.9
185.05884	0.9
187.07578	2.1
191.07054	2.9
195.06468	0.8
197.08119	2.4
203.07036	4.4
205.08621	1.5
215.07034	1.0
219.01767	1.3
221.08063	5.0
223.06018	2.2
233.08093	9.6
237.02730	1.7
241.07095	2.8
245.08070	1.9
251.06779	2.0
251.09116	10.4
259.08182	2.4
263.09109	6.9
269.10315	2.0
281.07404	0.8
281.10303	2.8
287.11166	1.7
295.10208	3.3
299.11270	1.3
317.12274	2.9
373.08240	1.1
387.30914	1.0
448.15897	1.0
466.16782	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
58.51196	0.6
60.44017	0.6
68.89332	0.6
69.48234	5.0
77.88783	0.7
91.05483	3.3
93.07059	5.0
98.09335	0.7
103.05497	3.5
109.06533	2.1
110.06860	0.9
121.02868	1.7
121.06512	100.0
137.05956	6.5
138.06303	3.3
149.02364	2.3
150.02663	0.8
154.63669	0.7
165.05510	11.6
166.05809	7.5
167.03384	1.0
167.07027	1.4
181.04924	1.5
191.03473	1.1
209.04495	0.8
210.04730	0.9
223.06104	2.7
238.52039	0.7
403.13702	1.0
466.20111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92689	3.1
67.05508	6.9
69.23057	34.4
91.05474	10.6
93.07056	10.0
93.99887	3.5
95.04980	4.3
95.08640	4.7
98.21126	19.3
103.05482	8.3
121.06519	100.0
122.06849	14.7
168.06543	6.1
208.09671	13.9
209.10091	9.5
268.11743	5.0
285.13324	4.2
294.44064	3.9
315.14224	3.9
327.76477	3.8
389.17947	10.5
439.06851	3.6
440.59857	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26672	0.4
53.03941	0.5
56.96566	1.0
57.03437	0.6
61.02927	0.6
62.33512	0.5
69.03426	1.8
70.06577	0.6
71.57001	0.6
71.57437	0.7
73.02930	0.8
78.84758	0.4
79.05494	1.3
85.02906	3.7
91.05448	2.3
93.07054	1.9
95.05010	0.6
97.02905	2.4
98.97594	2.5
99.04489	0.6
103.05478	8.2
107.04960	2.0
110.97607	0.5
114.28713	0.5
116.98670	1.3
120.08114	100.0
121.06528	5.8
123.04436	0.4
127.03915	1.5
131.04936	3.0
135.04391	1.0
136.06206	2.9
137.05937	0.9
145.02904	0.8
146.99646	0.5
147.04410	0.5
148.35094	0.4
149.05978	1.9
150.05649	0.5
152.05716	1.0
158.99657	1.3
163.03911	4.7
164.02322	0.6
164.04210	0.9
166.08652	55.6
177.00717	0.8
179.04688	0.9
187.02715	0.6
190.96275	0.5
218.40779	0.4
219.01865	1.3
236.02504	0.5
237.02895	1.0
251.06845	0.7
252.08746	0.4
252.91911	1.3
287.06134	0.9
304.11578	0.6
316.09961	0.7
327.01965	0.5
339.07410	0.7
346.80725	0.5
349.43555	0.5
357.08566	0.8
358.09341	0.5
392.63965	0.5
465.97754	0.5
466.28101	0.5
468.14630	0.5
483.99646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64284	0.3
53.03949	1.3
55.01886	0.3
55.05517	0.7
57.03445	5.3
57.07071	1.6
61.02923	1.7
65.03944	0.4
67.05513	4.6
69.03437	6.9
69.07080	2.8
71.01350	0.6
71.56361	0.4
73.02923	12.0
79.05499	7.9
81.03426	0.9
81.07063	100.0
82.07404	0.3
83.08633	0.3
85.02908	11.7
87.04477	0.7
91.03997	0.3
91.05497	0.4
93.00315	0.3
93.07056	1.9
95.05003	0.6
95.08614	16.8
95.55145	0.3
97.02900	11.5
97.03517	0.6
99.04449	0.5
103.03950	0.3
103.93127	0.3
105.07045	0.9
107.08623	1.3
109.02898	0.9
109.10140	1.4
109.32914	0.3
111.08026	0.3
115.03940	13.0
115.04754	0.7
119.08595	0.4
120.49126	0.3
121.06525	2.4
121.10162	0.8
123.04465	0.3
127.03910	4.0
131.08510	0.4
133.04965	3.5
135.11774	0.5
137.13269	25.7
144.06633	0.3
145.04974	5.2
149.13301	0.8
150.07613	0.4
154.15909	0.6
159.11731	0.5
162.07674	0.5
163.06026	3.6
166.08705	0.4
180.08812	0.4
191.10669	0.4
205.13120	0.3
217.07216	0.4
223.06049	1.9
236.09116	0.6
241.07065	2.3
259.08197	3.2
268.52005	0.4
269.17523	5.0
295.10242	4.1
308.11371	0.3
317.19687	0.3
330.13757	0.4
350.97269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81234	0.4
53.03947	1.1
53.63014	0.4
54.07041	0.3
55.01871	0.5
55.05511	1.0
57.01743	0.4
57.03444	7.9
57.07087	2.6
59.05021	0.4
61.02939	2.6
67.05510	4.9
67.49482	0.3
69.03435	9.3
69.07077	3.7
69.40227	0.7
69.40639	2.3
71.01365	0.8
73.02923	13.2
73.08284	0.3
79.05496	8.0
81.03433	1.0
81.07062	100.0
82.07401	0.7
85.02913	14.6
87.04474	2.3
87.61469	0.4
90.00494	0.4
91.05474	0.4
93.07053	1.0
95.08615	20.3
97.02280	0.8
97.02901	15.2
103.03954	0.6
109.02895	1.5
109.10187	1.3
115.03938	16.0
121.06525	0.8
127.03918	5.4
133.04970	8.2
137.13263	24.5
138.13683	0.4
144.91681	0.4
145.04979	6.0
145.06036	0.7
145.48352	0.4
150.07669	1.7
155.14304	0.6
163.06027	4.2
211.05836	0.4
223.06009	2.1
237.52740	0.4
241.07060	2.7
259.08188	3.3
277.09454	0.7
295.10229	4.3
295.13281	0.6
334.18561	0.4
335.72229	0.4
414.60507	0.4
443.89374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01854	5.4
55.05508	13.8
57.07079	12.2
65.03947	2.4
67.05510	38.9
69.03426	4.8
69.07075	35.8
70.95918	6.0
71.04991	7.4
71.08633	7.3
76.00295	2.4
79.05499	34.1
81.03420	5.7
81.07065	52.4
83.04996	12.3
83.08639	19.0
83.89857	2.5
85.02929	13.1
85.06527	9.9
85.10190	3.5
91.05474	12.1
93.07053	46.1
95.04967	7.7
95.08052	4.0
95.08617	54.5
97.02888	4.2
97.06505	11.1
97.10186	6.4
101.71985	2.9
105.07007	7.1
107.08607	26.8
109.06517	3.6
109.10159	36.2
110.25548	2.6
111.04431	3.5
111.08076	5.6
111.11710	5.5
117.06982	3.6
119.08569	5.8
121.06522	26.0
121.10154	64.8
122.06766	3.3
123.05605	5.1
123.11703	9.2
125.05997	35.3
125.09618	2.7
125.13319	3.5
129.05466	4.5
131.08556	5.7
133.10103	7.5
135.11700	45.0
137.13255	5.5
139.07567	4.4
143.07051	50.6
145.10190	2.6
147.11705	5.3
149.09613	5.4
149.13271	9.7
153.09038	3.7
159.11665	7.0
163.03937	4.8
173.13322	3.6
180.06543	6.2
181.06903	5.5
189.16354	6.8
191.17964	97.0
205.19521	6.3
209.19016	66.3
215.18034	18.2
222.07602	5.6
223.07938	8.8
233.19023	22.1
238.13589	2.3
251.17592	5.5
251.20091	69.5
269.21133	100.0
302.10065	6.5
353.44162	2.9
466.21301	7.7
466.26923	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	467.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.1
58.59912	10.1
61.02926	12.6
61.81230	8.8
65.62624	9.3
67.48117	8.9
69.03436	29.5
69.90338	29.3
69.90738	18.9
71.04993	11.4
73.02924	13.7
80.51619	9.2
81.03416	22.4
83.04984	8.9
85.02923	62.0
96.04506	9.9
97.02907	77.4
98.21047	20.3
98.97584	16.7
99.04366	9.8
109.02859	16.7
113.03519	18.2
122.72198	10.8
123.05501	9.8
126.05527	16.3
127.03904	24.4
127.59322	9.9
129.27022	11.0
138.05559	22.7
160.09639	8.9
162.07806	13.4
168.06393	9.2
259.00217	11.0
260.99957	34.7
261.03049	22.8
277.01163	13.5
279.00781	18.3
283.00055	20.4
316.95639	15.4
340.06442	19.4
340.95685	20.1
358.96619	100.0
396.91553	11.4
398.47659	14.9
419.02719	10.6
420.90997	84.7
425.01743	16.7
438.92386	29.6
440.89951	19.1
443.02423	26.6
491.40924	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	467.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06051	2.3
53.03952	4.1
55.01872	4.0
55.05517	3.3
56.96571	11.2
57.03443	13.2
59.60275	1.9
61.02933	13.0
66.71660	2.1
69.03437	31.8
69.51292	2.0
69.91636	11.3
70.06606	5.4
71.05003	16.7
72.08170	4.2
72.08554	2.1
73.02911	10.5
79.05492	2.9
81.03413	12.3
81.07078	2.5
83.04992	8.1
85.02917	100.0
85.06553	3.9
86.03259	2.7
87.04475	10.7
89.03931	7.7
90.38653	2.1
91.03951	3.0
91.05478	9.3
95.04979	2.3
97.02908	33.6
98.20766	2.5
98.97592	36.3
99.04461	5.8
101.00899	22.3
102.96885	9.0
103.00639	3.6
103.05441	4.6
105.07026	4.9
107.04971	6.0
109.02889	8.8
110.97594	5.4
111.04456	4.8
112.07524	2.3
112.99113	3.1
115.02425	2.9
115.03974	4.9
116.98634	12.2
117.03375	6.6
119.01145	4.1
119.01945	41.9
119.04961	6.6
120.02071	3.2
121.01695	7.7
121.06506	7.9
123.04432	4.0
125.02374	5.3
127.02432	3.1
127.03925	21.6
128.98569	3.5
129.05505	4.7
131.00209	4.9
131.01909	6.4
131.04921	11.1
133.03455	6.9
133.06499	3.9
135.04425	8.5
136.07614	2.7
137.03012	3.0
137.05991	28.2
138.06329	4.0
139.02472	3.4
143.00169	5.1
143.01918	17.6
143.03433	4.6
143.08215	3.3
145.01804	3.6
145.02699	7.6
145.03554	9.1
145.04984	16.5
147.03282	4.8
147.04413	15.2
147.06514	3.5
148.04778	4.0
149.01189	4.4
149.06065	4.2
149.84106	2.2
153.03133	3.5
153.05504	3.2
155.01912	7.9
157.03477	22.5
158.03622	2.6
158.99689	8.5
159.03264	2.9
161.01190	4.8
161.02997	15.6
161.05978	8.9
163.02574	4.1
163.03914	61.9
164.04292	8.3
165.05544	11.2
166.06064	2.6
167.07039	14.4
169.03429	5.8
170.03554	3.9
170.99733	3.4
171.05060	6.6
171.07689	2.2
173.01460	3.4
173.03004	10.9
174.98573	2.5
175.04605	10.8
177.00806	7.4
177.04138	4.6
177.05518	12.6
179.02261	4.5
179.07065	5.7
183.05000	3.3
185.02980	8.4
185.06639	3.3
187.03032	2.7
187.04552	8.9
189.00731	4.0
191.02338	2.3
191.04005	3.2
193.06378	3.4
193.08533	4.1
195.05052	5.0
197.01286	2.4
197.03143	5.9
198.98599	5.2
199.04532	3.0
201.09174	3.2
202.05951	2.9
203.04018	9.2
203.07301	2.7
205.05582	14.9
206.05980	2.3
207.06717	2.2
211.07951	2.6
213.00089	4.2
213.04358	4.2
215.04181	2.7
215.06647	3.1
219.01752	11.6
221.03201	5.2
221.05188	6.8
223.04633	3.6
223.06638	34.7
224.06776	4.4
225.06319	12.8
227.07545	3.7
231.01695	2.5
232.99516	2.4
236.06419	3.0
237.00589	4.1
237.02878	10.8
237.06133	4.0
239.02264	2.4
239.04361	12.0
241.07698	8.2
245.05182	15.7
247.06560	3.4
251.03958	2.2
257.05347	3.7
263.06201	3.3
264.07703	2.9
265.07864	14.8
274.07935	3.2
275.06323	10.5
277.07703	4.0
279.06958	2.7
279.14517	5.2
281.05304	2.9
285.04572	3.1
287.05933	3.4
291.09500	4.2
293.05344	4.8
295.08954	4.9
296.09055	3.9
301.07965	2.6
303.03137	7.3
305.03000	4.3
305.11453	2.3
305.15060	6.6
307.08789	3.5
309.08798	4.1
310.06540	2.5
321.10629	2.7
323.09708	3.5
323.13214	4.1
337.07620	2.5
338.85065	2.3
354.04263	2.6
367.11386	4.6
369.10709	10.5
377.10757	2.3
379.09732	2.8
385.10229	2.9
387.11432	4.6
399.11432	4.0
405.11057	5.1
407.10498	11.1
467.10538	11.6
467.15283	34.8
468.15152	2.9
471.11697	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
58.99589	2.2
67.05511	0.4
68.05033	1.3
69.03430	0.9
69.07093	0.5
70.06598	0.4
71.04980	0.3
71.56164	0.5
76.03996	0.7
79.05495	0.5
80.05027	14.5
81.03417	0.7
81.05821	0.3
81.07072	0.4
83.04999	0.8
84.04510	1.5
84.08152	0.5
85.02921	2.5
86.00644	0.3
86.09702	0.6
86.99067	0.7
88.02272	0.6
91.05528	0.8
93.07043	1.0
95.08611	1.1
96.04499	1.7
97.01133	0.5
97.02925	0.7
97.06577	0.3
98.97582	0.5
99.02698	0.4
101.00616	2.4
105.07030	0.8
107.08624	0.6
108.04495	1.8
109.10146	0.8
114.03767	13.8
116.01698	3.3
119.08573	0.5
121.06542	2.0
121.10167	1.5
121.32673	0.3
125.00029	0.5
125.06027	0.7
127.03883	0.3
131.66959	0.3
134.06041	0.6
135.11671	0.8
137.09642	1.5
139.11192	4.7
142.03235	100.0
143.03545	0.8
143.38710	0.3
144.01169	1.1
145.62575	0.4
152.01692	4.0
158.06293	0.3
159.11772	0.5
162.02199	2.6
163.03883	0.7
163.11180	1.5
165.05426	0.4
165.09029	0.7
167.07048	3.1
168.04788	1.7
170.02731	42.1
177.12657	0.4
184.07362	1.9
185.07626	0.4
188.03706	0.8
190.08620	0.4
199.05389	5.6
201.16473	0.5
205.12216	0.4
209.15378	1.1
210.05844	3.0
223.13409	0.5
227.04883	7.3
230.04811	1.8
238.05365	2.1
239.28917	0.3
243.08057	0.6
245.05940	36.7
246.06245	0.4
255.04382	0.3
271.07501	2.8
287.19931	0.4
313.08585	1.8
384.14615	0.7
405.64499	0.3
431.16266	0.6
467.13858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.3
56.96301	1.5
56.96571	28.4
67.05495	4.4
69.07061	4.0
71.56886	3.1
71.95256	7.6
79.05495	2.3
81.07041	5.7
84.96028	2.6
91.05485	4.2
93.07045	5.2
95.04973	2.0
95.08601	5.3
97.96821	2.5
99.04482	2.2
105.07046	2.7
105.66860	1.7
107.08583	3.4
109.10192	2.0
110.97589	10.9
121.06512	4.6
121.10159	2.4
126.10001	1.8
127.03895	1.9
128.98616	12.4
130.27921	1.7
131.08647	1.8
133.10112	2.8
135.11726	2.0
140.31888	1.6
143.00191	2.4
145.10187	2.1
146.99622	5.2
149.13321	1.7
152.00359	1.7
159.39563	1.5
171.03337	2.5
171.11739	2.3
203.05865	2.7
252.10291	2.6
254.88968	1.9
259.12250	3.6
263.09595	6.2
281.10675	5.3
299.11636	2.6
315.16351	57.4
331.15826	3.2
333.17383	100.0
334.17883	3.3
337.13089	2.4
351.18414	38.5
356.19058	15.1
374.20258	8.4
389.20004	3.0
407.20996	22.2
467.22815	2.3
467.31662	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.05514	2.0
56.96570	25.5
67.05499	3.2
69.07068	1.9
69.46334	4.1
69.46757	3.7
71.95255	3.5
72.96043	1.2
79.05493	1.8
81.07053	3.2
84.96014	2.6
91.05470	4.0
93.07066	5.8
95.04967	1.9
95.08608	3.1
98.97571	3.3
105.07033	3.0
107.08609	1.5
109.06510	1.3
109.10134	1.9
110.97572	10.6
112.99168	1.4
115.60656	1.1
116.98593	1.2
119.08553	1.8
121.06518	13.5
123.01166	1.5
123.11653	1.1
128.98616	14.7
133.10138	1.7
135.11711	1.2
137.02780	1.3
143.00206	2.0
145.10188	2.6
146.99704	6.7
157.10056	2.0
161.01208	1.5
171.03299	2.2
175.14761	1.1
185.04839	1.3
189.04303	2.4
203.05925	1.8
209.04823	1.0
235.06444	1.0
241.11052	1.8
244.13017	1.2
245.08543	1.3
252.10258	1.8
259.12363	2.6
263.09531	4.5
263.12225	2.9
277.11057	1.5
281.10602	3.6
299.11688	2.0
303.12674	3.1
311.20996	1.2
315.16309	56.5
316.16550	1.6
322.76907	1.3
331.15927	1.9
333.17386	100.0
351.18417	38.5
356.18976	18.7
374.20035	6.4
389.19931	1.7
407.21066	20.3
467.31735	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2492
Annotation	Rhodioloside E
Peak:m/z	Relative Intensity
55.05514	4.5
56.40850	1.5
57.03439	5.3
57.07071	1.7
67.05511	11.9
69.03429	14.6
69.07062	6.3
69.30805	5.5
69.31235	8.7
70.06599	37.9
71.06915	7.5
72.08138	2.2
79.05511	5.2
81.03476	2.0
81.07061	100.0
83.05000	1.9
83.08626	2.3
84.08125	2.0
85.02919	14.8
87.04469	9.0
91.05491	3.8
93.07059	6.0
95.08615	64.0
97.02909	14.1
97.10181	4.2
99.08092	3.0
105.07010	3.5
109.02905	3.4
109.10192	3.7
111.11707	2.9
112.07625	25.7
113.07961	8.6
115.03934	12.2
119.04958	1.8
123.11696	2.9
127.03947	2.3
127.46858	1.6
133.04956	11.1
135.04391	1.6
137.05959	8.2
137.13269	70.4
140.07074	16.8
141.07410	5.9
145.04984	3.2
151.03975	2.2
155.14317	40.1
159.08485	2.0
163.03946	6.8
167.07104	2.5
170.60199	1.7
173.15395	29.4
177.05508	2.7
197.44719	1.6
305.05637	1.8
309.07861	2.0
467.19980	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	467.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	20.9
57.10907	0.3
58.90273	0.3
68.15044	0.2
70.86746	0.5
70.87055	0.4
71.95276	2.8
72.96066	1.8
84.95998	0.6
91.05475	0.8
97.96854	0.8
105.00131	0.6
110.97536	1.6
115.00698	0.3
119.01706	0.7
119.04919	0.4
121.06519	0.3
123.01192	0.4
127.00661	0.5
128.98564	0.7
137.02727	1.3
151.04292	0.8
152.04671	0.9
155.03789	0.6
159.04677	0.3
167.03905	0.3
167.05841	0.4
167.07071	4.8
169.05298	0.4
179.07416	0.7
195.06918	0.4
197.08542	0.4
223.10031	6.2
235.10049	8.8
241.11136	47.7
242.11568	0.5
249.63815	0.3
253.11136	84.4
254.11638	0.5
259.12204	33.9
260.12457	0.3
264.12778	2.5
271.12189	100.0
272.12497	0.5
276.12772	2.0
282.13779	1.1
289.13132	2.7
294.13779	8.2
341.72659	0.3
467.26852	21.4
468.27258	0.4
486.33484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.7
57.03434	7.5
57.06829	2.5
57.07082	26.9
62.06242	1.5
62.33885	1.5
66.92328	1.6
67.05509	8.9
69.07074	8.4
71.08638	20.4
71.58614	2.1
79.05515	2.2
81.07064	12.5
83.08619	8.7
85.10197	10.4
91.05443	1.9
93.07029	3.1
95.08611	21.0
97.10181	3.2
98.98469	45.2
103.05389	1.8
105.07048	3.3
107.08601	5.4
107.29160	1.8
109.10154	12.0
119.08620	3.1
121.10159	4.1
123.11710	3.2
125.24818	1.6
127.15959	1.6
133.10120	2.6
137.00012	3.0
145.10167	1.9
155.01054	47.6
161.13290	1.5
173.13266	2.8
175.14777	3.3
177.16371	3.2
200.18312	1.7
211.03673	2.3
239.23761	4.5
313.27377	100.0
393.24020	3.7
449.26410	16.6
467.31647	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	468.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
54.52613	0.3
64.88451	0.4
67.22995	0.4
70.16050	1.1
70.16454	0.7
90.44704	0.4
91.05470	1.8
93.07026	1.9
95.04965	0.6
95.06086	0.4
98.98467	8.4
103.05480	2.1
117.05708	0.5
121.06510	12.7
122.06026	0.4
125.00010	26.3
130.06525	1.2
131.07338	0.7
148.07507	0.5
150.05533	2.5
154.07149	0.4
164.07079	24.2
165.07794	0.4
176.07085	12.7
190.08641	95.5
191.09239	1.2
192.10228	1.4
208.09663	3.2
232.09566	0.4
250.10701	1.2
274.04761	7.0
288.06323	100.0
289.06714	1.0
296.12833	1.2
334.47424	0.4
348.08539	0.6
394.10550	21.3
468.13629	0.7
468.20120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
53.47786	0.4
53.58701	0.5
55.05497	0.4
56.96552	1.5
57.03428	0.6
58.67104	0.5
61.02915	1.1
61.79931	0.4
69.03425	1.9
69.69586	2.3
70.06605	2.8
71.05006	1.1
72.99104	0.4
73.02923	0.6
79.05496	1.1
81.03414	0.9
85.02914	5.9
87.04450	0.8
89.03912	0.6
89.92090	0.5
91.05476	1.2
93.07037	1.2
97.02901	2.7
98.21500	0.9
98.97576	3.5
103.05482	7.0
105.06995	0.5
107.04961	2.5
109.02915	1.0
110.97558	1.5
112.07581	2.1
116.98640	1.3
117.03358	0.5
120.08110	100.0
121.08386	0.6
127.03947	1.3
128.98642	0.7
131.04935	2.6
135.04414	1.4
136.06226	1.0
137.05972	2.3
140.07097	1.0
145.02849	0.8
147.04407	0.6
149.06018	1.8
158.99684	1.2
161.01259	0.5
163.03891	4.9
166.08644	49.5
167.07043	0.5
177.00677	0.6
187.04486	0.6
189.00749	0.7
201.00568	0.5
219.01773	2.6
226.06087	0.8
237.02835	2.6
247.06798	0.7
251.06831	2.7
252.05684	0.7
317.09067	0.9
359.06744	0.8
374.62640	0.5
401.11508	0.8
403.09137	0.5
408.01453	0.7
408.14017	0.5
423.11972	0.7
468.17398	1.9
469.09888	0.5
473.09714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01867	0.5
56.96562	0.5
67.04240	0.5
68.05034	10.3
69.03444	0.4
70.06591	0.5
71.04991	0.8
71.56089	0.4
72.72641	0.4
85.02915	1.4
89.03962	0.4
89.09534	0.4
91.05479	4.0
93.07053	5.8
95.06097	89.5
98.16644	0.4
98.97597	0.7
98.98490	0.4
103.05470	3.9
107.08555	0.4
109.07635	0.8
118.06555	1.0
121.06515	25.5
123.04483	0.5
126.70651	0.5
129.71107	0.4
132.34383	0.4
144.04468	1.5
145.02827	0.5
146.06032	6.4
162.05516	0.9
163.03973	0.6
172.04018	0.7
176.07095	4.7
177.05486	1.3
178.08643	39.2
190.04991	0.7
194.27959	0.4
204.06538	4.8
204.08255	0.6
210.11298	2.4
222.07629	8.5
236.09183	0.8
240.11292	4.7
256.10724	0.7
257.13950	0.5
270.12387	2.6
272.13950	27.5
275.09464	0.6
284.10233	1.1
298.11966	2.3
304.16534	1.5
316.12943	17.4
327.03885	0.4
330.14551	1.1
374.16022	1.1
436.18759	5.1
468.21332	100.0
469.21695	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3087
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05511	0.5
56.05009	0.7
57.03428	0.7
57.07073	3.2
58.06607	1.3
60.00005	0.4
60.08164	15.7
67.05496	0.9
69.07063	1.0
69.98166	2.2
71.07374	6.0
71.08614	1.8
79.05507	0.7
81.07059	2.0
83.08596	0.6
85.10186	1.6
86.09708	46.1
93.07040	0.5
95.06066	0.8
95.08601	1.8
98.98464	3.3
104.10746	100.0
105.06995	0.8
105.11065	0.4
109.10180	0.9
119.08521	0.4
121.06517	1.1
121.10130	0.5
125.00007	24.2
163.01546	0.8
184.07346	95.0
185.07649	0.6
190.08659	1.3
207.83052	0.4
226.41080	0.4
258.10962	0.8
285.24161	2.5
288.06296	2.0
288.15964	0.4
339.35257	0.5
391.22217	0.6
450.29813	8.8
468.30887	38.3
469.31082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	9.5
57.03432	3.7
59.94352	0.9
61.02916	2.9
67.05501	0.8
69.03437	8.1
70.06590	1.2
70.28289	3.3
71.04974	3.2
73.02933	4.7
76.22092	0.8
77.15653	0.8
81.03407	2.3
81.91509	1.0
84.96031	3.3
85.02914	19.0
87.04464	2.4
89.03912	2.3
91.03982	1.2
91.05475	3.5
97.02913	8.6
98.20832	1.0
98.97588	35.4
99.04456	1.3
101.00880	1.5
103.05434	1.0
107.04945	1.7
109.02915	1.3
110.97567	7.2
112.99140	3.2
115.00734	1.1
115.03923	1.9
116.98638	9.8
117.03365	2.9
118.03716	1.1
119.01955	3.9
119.04969	4.5
121.06480	0.9
124.05262	0.9
124.99136	1.6
127.03909	4.1
128.98636	8.2
129.05478	1.4
131.00171	4.1
131.01895	1.7
131.04912	1.5
133.01674	2.4
133.06424	1.1
134.99677	1.4
135.04420	5.0
137.05983	12.0
138.06288	1.7
140.98619	2.0
143.00192	4.9
143.01877	3.4
144.98134	1.9
145.01804	1.2
145.02739	4.6
145.04962	2.7
146.99629	3.2
147.04405	7.8
149.01247	1.9
149.05954	1.4
151.02777	0.9
152.05699	0.9
152.98592	3.1
155.01845	1.0
157.01683	1.1
157.03462	1.8
158.99654	11.8
161.01184	4.1
161.02946	2.7
161.05994	1.0
163.02565	1.2
163.03915	22.1
163.07506	1.9
164.04234	3.8
166.96931	0.9
167.07043	2.4
170.99675	5.1
171.04932	0.8
173.02904	1.5
175.02773	4.5
177.00719	10.2
177.05515	3.4
179.02313	1.7
179.07013	4.7
181.03639	0.9
182.99646	1.6
184.05745	0.8
187.02750	1.4
187.04456	1.1
189.00728	3.2
193.03831	2.0
197.03075	1.9
199.04445	0.9
201.00667	4.5
203.02333	1.1
203.04083	1.2
205.03769	1.2
205.05516	2.4
211.02748	1.0
217.03824	2.1
218.99750	1.7
219.01782	23.1
219.05005	1.1
220.02106	0.9
221.03094	1.4
221.05042	1.6
223.06731	1.3
229.03848	2.3
235.04781	1.9
237.00418	1.7
237.02809	28.9
238.03477	0.8
239.04323	2.0
241.04077	1.1
244.04309	1.7
245.04996	2.9
247.04759	1.6
249.02788	2.3
251.06895	1.0
253.03984	1.0
255.03868	1.6
271.04773	1.0
272.55139	1.0
277.05960	14.0
279.06839	0.9
295.07028	34.6
298.08340	1.0
305.05649	1.0
318.08655	1.1
349.07840	0.9
355.06985	1.3
361.07626	1.0
369.10992	0.9
373.07916	1.5
378.11731	2.5
381.10315	1.1
399.11462	2.1
409.10205	100.0
410.10455	1.4
420.66327	1.1
427.11029	1.6
469.13147	8.2
474.15375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42258	0.4
53.03949	0.4
56.96566	0.5
57.03428	0.4
69.03438	0.6
69.07082	0.4
70.06607	0.6
71.05000	0.6
71.57192	0.7
73.02900	0.7
81.07040	0.6
84.08109	0.5
85.02913	2.0
91.05509	0.4
93.07045	0.5
95.06094	1.7
97.02872	1.3
98.97609	0.8
121.06506	1.1
134.13348	0.4
137.05994	0.5
154.55814	0.4
163.03897	1.2
175.03667	1.3
185.04253	0.6
213.09166	0.4
219.01770	0.5
249.59557	0.4
265.82089	0.4
307.11746	0.7
317.08469	7.0
337.09045	1.0
469.13196	100.0
470.13535	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1684
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
61.02918	0.3
64.12360	0.2
64.31424	0.2
68.92787	0.2
69.03447	0.3
70.06591	0.7
71.58765	0.5
77.84495	0.2
79.05489	0.3
81.04524	0.4
81.07072	0.6
83.01095	1.0
84.01890	0.4
84.08127	0.4
85.02901	0.5
91.05486	0.9
93.07037	0.3
95.01105	2.2
95.04957	0.4
96.01863	1.1
97.02821	0.4
98.97595	0.5
107.08567	0.3
109.02803	0.4
110.09659	0.5
111.00539	0.4
112.01360	0.9
113.02123	2.7
119.04948	0.3
120.08110	0.4
121.02850	0.4
121.10183	0.3
126.02892	0.4
126.78537	0.3
127.05021	1.0
131.04929	0.5
137.06027	0.6
138.09143	1.8
141.01595	0.4
141.05247	0.3
157.04753	1.0
163.38274	0.3
166.08595	1.3
167.03168	0.4
172.86064	0.3
177.05473	0.4
185.04218	4.6
201.03714	1.1
202.04431	0.4
203.05258	0.7
217.04768	1.3
232.07082	16.6
233.07816	0.4
243.08551	0.5
250.14081	0.3
259.07849	1.9
275.08823	1.4
277.10245	0.3
295.06168	0.4
307.05978	0.5
307.16556	2.8
309.07709	0.5
320.06339	0.3
337.07089	0.6
375.08292	0.4
403.08255	0.3
438.14935	1.9
439.15707	1.0
451.10004	0.5
469.16840	100.0
470.10434	0.3
470.17151	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1684
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
53.93151	0.4
61.97116	0.4
69.03432	0.9
70.06584	1.5
71.04944	0.5
71.09363	0.5
71.09712	0.7
85.02921	2.1
88.83273	0.4
97.02907	0.6
98.97617	0.6
109.02903	0.5
110.06046	0.4
112.07628	1.1
119.04969	0.5
136.07593	0.8
137.06012	1.6
140.07095	0.8
145.02887	0.6
163.03938	0.8
177.05486	0.6
187.07504	0.4
219.01823	0.4
237.02702	0.5
253.17879	0.5
303.14069	0.5
307.12717	0.5
311.20563	0.5
323.11047	1.8
403.69159	0.4
416.57239	0.5
469.16940	100.0
470.17316	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.2
55.01868	9.8
55.05507	12.9
57.03440	10.4
61.02929	5.8
63.46112	3.6
67.05505	34.0
69.03433	32.6
69.07066	29.5
69.36357	22.6
69.36783	17.2
71.04988	9.3
73.02914	6.9
79.05479	27.5
81.03419	26.6
81.07062	61.3
83.04969	12.8
83.08636	10.6
85.02913	58.2
85.06554	8.0
86.71318	4.6
87.00838	20.9
91.05483	43.8
93.07050	100.0
95.04967	14.7
95.08613	71.3
97.02891	20.3
97.06555	6.3
97.10196	6.5
98.20772	9.3
99.04507	6.3
103.03949	6.9
103.05437	4.4
105.01881	18.7
105.07027	79.8
107.04935	8.7
107.08604	77.9
109.02894	16.5
109.06538	10.2
109.10162	85.4
110.54997	4.7
111.08088	20.5
115.03951	5.5
117.07045	15.1
119.08592	83.2
119.09398	3.1
121.06480	23.6
121.10151	44.7
123.08051	8.1
123.11723	11.5
125.09636	25.1
127.03952	26.2
129.01807	4.5
129.05511	6.0
129.07002	8.1
131.08577	25.8
133.10136	47.7
135.08052	8.7
135.11700	33.0
137.09633	8.4
139.11244	6.7
143.08551	13.3
145.05038	5.8
145.06473	5.5
145.10112	30.2
147.02904	5.8
147.11684	91.9
149.09639	8.9
149.13220	6.2
151.11201	4.9
155.08662	6.7
156.79985	4.4
157.10130	16.6
159.02933	10.1
159.11722	19.5
161.13298	21.0
163.11160	6.6
163.14865	5.3
165.12781	8.9
169.10103	5.0
171.11696	14.8
173.13309	13.7
175.11227	8.5
175.14810	4.5
177.12822	6.4
183.11736	9.0
185.13290	9.6
187.11145	7.1
187.14941	7.3
189.12727	6.9
189.16374	5.5
191.10783	5.7
197.13225	4.4
199.11153	6.8
199.14940	7.5
201.16443	16.0
203.14288	5.4
203.17992	54.0
213.16385	9.0
213.38147	5.0
215.14217	5.5
215.18001	13.7
219.17397	8.4
221.19193	10.5
225.16505	7.1
237.12563	5.1
243.17494	8.2
245.19055	10.0
250.73825	4.5
269.18948	10.0
287.20203	8.6
293.19073	5.4
311.20020	21.6
329.21143	18.8
365.23657	5.3
405.31549	7.9
415.21329	9.9
423.33249	5.0
433.22314	14.7
442.27258	4.6
451.23331	14.8
469.23676	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03941	4.0
55.01874	3.0
55.05516	21.0
57.07071	2.8
59.04996	2.5
62.90299	2.2
64.27192	2.4
64.48358	2.8
65.03942	6.3
65.51012	2.3
67.05501	19.0
67.09335	2.1
68.41315	2.1
69.07078	17.0
71.58862	3.5
79.05495	18.6
81.03404	4.7
81.07061	61.4
83.04986	26.1
83.08626	14.0
85.02944	3.7
85.06528	2.6
85.30811	2.2
91.05484	38.7
92.05835	2.7
93.07044	54.7
95.04969	11.5
95.08611	68.1
97.02898	32.5
97.06555	5.5
97.10155	3.7
99.08089	4.3
100.42189	2.7
103.05464	6.7
105.06382	4.8
105.07039	65.3
107.08598	79.2
109.06528	9.4
109.10158	44.0
111.08024	6.0
117.06989	11.6
119.08584	100.0
120.09001	2.8
121.06503	17.0
121.10145	60.4
123.08060	8.2
123.11700	24.7
125.09636	10.7
127.03900	5.0
128.06218	3.1
129.06999	7.8
130.07771	2.8
131.04831	2.7
131.08565	48.5
133.10133	63.5
135.08044	5.7
135.11696	28.6
137.05977	28.6
137.09628	6.5
138.06306	4.4
143.08553	20.3
144.09338	3.2
145.10130	70.8
147.11684	38.0
149.02307	5.2
149.09586	6.9
149.13264	15.2
151.07539	3.6
151.11169	9.7
153.09192	3.2
155.08487	5.8
155.97713	2.7
156.09398	7.7
157.10135	27.3
158.10909	3.9
159.08055	3.5
159.11697	53.8
161.05908	3.3
161.09726	3.6
161.13261	25.5
163.07532	4.7
163.11156	6.8
163.14838	16.5
167.03403	9.6
167.07066	2.9
169.10092	6.9
170.10887	4.1
171.11641	14.3
172.12512	3.1
173.13278	34.5
175.14807	30.3
177.05414	4.3
177.12793	5.3
177.16385	7.8
181.10002	3.0
183.11702	8.7
185.13248	56.9
187.14824	42.4
189.16418	26.7
191.14328	16.0
191.17934	7.1
195.11710	5.6
197.06049	3.0
197.13300	10.6
199.14854	34.0
201.05437	6.1
201.16382	47.0
203.14325	26.9
203.17961	8.7
205.15894	27.2
207.06549	3.6
207.17517	3.1
209.13263	4.7
211.14786	11.7
213.16389	30.0
215.14505	3.5
215.17934	15.7
217.15828	16.4
219.06557	5.0
219.17424	29.5
225.16420	7.0
227.14310	3.0
227.17981	6.0
229.15892	5.0
229.19505	3.7
231.13737	4.4
231.17471	9.8
233.15396	6.6
233.19040	3.9
239.17931	8.3
241.19441	9.6
243.17487	4.3
243.21046	3.3
245.15450	7.5
245.18956	3.9
247.17046	4.0
249.14799	27.9
251.16426	6.0
253.19536	6.1
255.21091	4.8
259.16922	5.0
267.21088	10.7
281.22763	4.5
287.19946	2.9
337.10559	3.5
387.30634	8.4
393.13824	4.6
393.31647	2.9
405.13394	3.2
405.31570	42.4
407.33234	15.8
423.32590	48.3
433.31049	11.4
439.31299	2.9
451.14178	3.0
451.32053	31.6
469.15674	4.7
469.33322	74.7
484.06082	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	469.3317
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
53.75239	0.5
55.05509	2.4
56.47706	0.6
57.03443	0.6
57.07075	1.3
59.37058	0.5
67.05516	3.2
69.07076	3.4
71.40076	0.8
79.05495	3.3
81.07059	6.8
83.08612	1.3
91.05473	3.4
92.22336	0.5
93.07045	7.5
95.04949	1.2
95.08605	9.4
97.02875	0.6
97.06516	0.8
97.10165	1.1
105.07038	12.6
107.08593	10.8
108.86935	0.6
109.06523	1.4
109.10156	5.3
111.08071	1.9
115.05446	0.6
117.07050	1.6
119.08588	14.0
121.06532	0.8
121.10153	8.2
123.05729	0.5
123.08050	1.2
123.11703	2.7
125.09628	0.8
129.07039	1.4
131.08571	4.6
133.10138	10.3
135.08063	1.9
135.11691	6.1
137.13301	0.7
143.08568	1.8
145.10112	9.3
146.10979	0.5
147.11693	8.6
149.09641	1.0
149.13251	4.5
151.11182	0.5
153.09128	0.7
155.08549	1.3
157.10167	4.7
159.08089	1.3
159.11687	4.6
161.09653	1.4
161.13274	4.6
163.14819	3.3
165.12827	0.6
169.10159	1.7
171.11742	3.3
172.12563	0.9
173.09570	1.1
173.13254	5.6
175.11203	1.8
175.14809	8.0
177.12744	1.2
177.16469	1.5
183.11736	2.0
185.13234	3.0
187.11263	0.9
187.14818	6.2
189.12772	1.4
189.16393	11.1
189.68005	0.6
191.14241	0.7
191.17978	1.0
193.15863	0.8
195.11760	1.0
197.13283	1.5
199.14819	6.3
201.12846	0.8
201.16388	3.6
203.14349	1.2
203.17979	1.0
205.15947	1.6
207.17514	0.8
209.13220	0.8
211.14890	2.5
213.16460	2.6
215.14339	4.0
215.17844	1.2
217.15884	4.7
219.14001	0.7
223.14816	1.2
225.16417	2.1
227.17995	1.4
229.15884	0.8
229.19460	0.9
231.17436	1.0
233.15343	3.9
235.16962	1.4
239.18066	1.8
241.19527	2.9
243.17422	1.1
245.15295	0.7
251.18044	0.8
253.19630	1.5
257.19083	2.1
265.19528	0.9
267.21121	1.2
269.19128	0.7
271.16995	0.5
277.19647	0.9
281.18936	0.7
287.20441	0.6
289.18008	1.6
291.21219	1.3
297.22119	0.5
299.20108	0.9
303.20084	0.9
309.22302	1.1
331.24329	0.7
335.23657	0.6
345.25653	0.8
347.27448	1.2
380.05576	0.6
387.30585	1.8
393.31693	2.1
405.31573	7.5
421.31021	0.8
423.32730	6.5
433.31189	3.8
439.32123	5.7
451.32104	30.8
452.32678	0.6
469.33188	100.0
470.33990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03948	5.0
54.54442	1.9
55.05513	18.7
57.07066	5.2
59.05008	1.8
65.03943	5.8
67.05505	23.7
67.86588	2.1
68.38277	2.3
69.03425	3.1
69.07072	17.7
69.41603	4.1
69.42010	11.1
79.05497	22.1
81.03408	3.7
81.07059	50.1
83.04992	20.8
83.08640	16.1
85.02920	2.8
89.82969	1.9
91.05485	34.0
93.07048	50.2
95.04951	8.6
95.08610	65.1
97.02901	20.9
97.06521	4.8
97.10143	4.5
99.08101	8.5
103.05470	5.4
105.07033	76.9
107.04939	3.7
107.07861	4.2
107.08596	83.5
109.06473	10.3
109.10157	40.0
110.02317	2.2
111.08073	5.7
115.05420	2.4
117.07030	12.1
119.08585	100.0
121.06544	9.6
121.10143	66.8
122.06847	2.4
123.08055	6.1
123.11721	21.4
125.09608	7.1
129.06989	7.7
130.07697	2.2
131.08569	52.9
133.10133	64.2
135.08044	6.9
135.11687	21.5
137.05992	7.5
137.09601	3.4
137.13249	4.7
141.07030	3.6
142.07771	6.3
143.08559	27.3
144.09303	5.8
145.10130	72.2
147.08098	3.4
147.11694	33.0
149.09598	4.0
149.13280	13.0
151.07552	6.6
151.11156	7.0
152.07803	3.4
155.08548	7.7
156.09352	3.4
157.10132	34.0
158.10921	6.4
159.08073	2.9
159.10440	3.9
159.11700	54.4
161.09586	4.4
161.13277	24.7
163.07610	9.6
163.11221	2.8
163.14847	10.6
165.07159	3.1
167.03363	2.9
167.07060	4.8
169.10124	12.4
170.10919	6.1
171.11664	22.9
172.12489	4.9
173.13290	40.0
175.11139	2.9
175.14836	33.2
177.12784	3.7
177.16371	9.5
178.08652	5.7
179.08989	3.1
180.06561	2.5
181.10143	5.1
183.11713	15.8
185.13275	38.9
186.14026	2.1
187.11223	3.5
187.14828	56.4
189.16435	21.6
191.14304	10.2
191.17897	5.2
193.15874	3.1
195.11710	3.2
197.13277	14.1
199.12984	2.6
199.14844	50.8
201.05412	2.5
201.12732	8.5
201.16383	48.5
203.14336	22.1
203.17953	7.9
205.15866	24.3
207.08363	2.8
207.17406	4.9
209.13307	5.2
211.14771	18.2
213.16386	32.6
215.14290	6.6
215.17928	7.5
217.15991	13.4
219.13777	5.7
219.17479	22.9
223.14746	3.6
225.16382	6.1
227.17982	7.0
229.15878	4.7
231.17494	10.3
233.15309	9.1
233.18915	2.3
235.16966	3.1
237.16403	3.6
239.17894	6.6
241.19624	13.4
243.17505	3.7
243.21068	4.7
245.15376	9.1
245.19179	2.0
247.16937	5.0
249.14821	17.5
251.17888	2.9
253.19524	7.4
255.21075	5.8
259.16949	4.2
259.20526	4.8
265.19479	4.6
267.21097	10.0
281.22565	4.0
283.20499	6.1
287.20081	2.2
299.19934	3.6
313.21460	2.2
331.24139	2.6
337.25027	3.4
387.30450	5.9
405.31580	66.4
407.33133	21.4
415.29999	2.5
421.31125	3.6
423.14426	2.8
423.32687	26.4
433.31158	18.0
439.31912	2.7
451.14072	3.9
451.32208	35.3
469.16318	20.2
469.33563	45.7
470.15839	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	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03940	4.5
55.05510	13.9
57.07066	5.9
67.05228	2.3
67.05516	21.6
69.07072	18.4
71.11034	5.5
71.11387	2.6
79.05494	18.8
81.07060	45.9
83.04985	24.3
83.08610	16.7
91.05479	29.5
93.07048	52.7
95.04966	6.6
95.08612	54.2
97.06556	3.7
97.10172	2.6
99.08107	3.8
103.05473	3.3
105.07037	72.6
107.08604	70.0
109.06526	8.9
109.10152	37.5
111.08068	5.5
117.07003	10.2
119.08588	100.0
121.06512	14.5
121.10149	61.0
122.06841	6.2
123.08093	6.1
123.11730	26.9
125.09657	11.5
128.06204	2.9
129.07011	9.4
130.07785	2.5
131.08578	44.9
133.10136	69.6
135.08066	3.7
135.11690	23.2
137.09656	2.9
139.11154	2.4
143.08560	29.6
145.09036	4.8
145.10132	59.8
147.11699	35.7
149.09608	3.2
149.13257	18.5
151.11201	12.8
153.09145	4.5
155.08473	5.7
157.10144	25.0
158.10918	2.9
159.11705	46.1
161.09619	3.8
161.13269	28.1
163.11160	6.7
163.14876	12.9
165.12656	3.6
169.10123	6.4
170.10820	4.4
171.11691	16.3
172.12398	2.8
173.13286	36.9
175.14841	31.0
177.09102	2.3
177.12811	4.2
177.16383	7.2
178.08762	2.4
183.11749	11.9
185.13271	77.7
187.14822	55.9
189.16386	25.8
191.14323	16.8
191.18019	6.0
193.15907	2.9
195.11818	3.2
197.13243	8.3
199.14815	29.7
201.16389	64.2
203.14339	26.1
203.17993	10.5
204.10313	5.5
205.10582	7.1
205.15872	24.5
209.13353	3.3
211.14821	9.6
213.16415	31.3
213.82866	2.6
215.14343	4.4
215.17986	12.4
217.15872	17.4
219.17456	32.8
221.13301	2.6
223.14877	3.1
225.16396	4.5
227.17984	6.9
229.15926	5.1
231.13817	3.4
231.17511	7.3
233.15373	7.4
233.19058	3.4
237.16438	4.6
239.17946	6.4
241.19543	5.3
243.17494	5.0
245.15295	9.9
245.18956	2.8
247.17014	8.0
249.14761	25.2
253.19513	6.9
255.21181	4.9
259.16879	5.1
261.14984	4.5
263.16272	5.8
267.21069	9.8
381.15363	4.0
387.30313	5.3
389.32144	3.3
405.26511	4.1
405.31567	40.9
407.16525	8.9
407.33066	18.8
423.32544	38.8
425.17822	6.0
433.31036	8.6
439.32101	2.9
451.32074	28.3
468.57642	2.6
469.16556	6.7
469.33185	67.4
491.27963	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.332
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03943	4.2
55.01887	1.4
55.05513	14.4
56.98928	1.3
57.07079	3.2
65.03952	2.5
67.05506	19.6
69.03433	3.1
69.06742	2.0
69.07066	12.4
69.60416	9.9
70.06586	2.9
71.04986	2.1
73.91705	1.3
79.05497	18.6
79.19044	1.5
81.03418	3.6
81.06576	2.7
81.07061	55.4
83.04991	20.7
83.08610	9.7
85.02911	4.1
85.06539	2.8
87.00863	1.8
90.67173	1.2
91.05484	28.1
91.06010	2.2
93.07047	45.4
95.04969	6.5
95.08614	49.5
97.02896	14.0
97.06505	3.0
97.10191	2.9
98.21502	1.6
99.08095	18.3
100.97956	1.4
103.05471	1.9
105.07038	69.2
107.04961	2.4
107.08601	69.6
109.02872	2.5
109.06511	7.5
109.10161	34.6
111.08092	6.2
115.05499	3.1
117.07018	12.7
119.08586	100.0
121.06564	3.6
121.10149	47.3
121.11024	2.7
123.08057	5.3
123.11710	19.2
124.04548	1.4
125.09645	6.3
127.03927	2.8
128.06226	3.4
129.07016	6.4
130.07762	1.8
131.08578	50.0
133.02834	1.9
133.10135	57.2
135.08093	3.3
135.11710	18.7
136.07597	2.9
137.06004	5.5
137.09637	4.0
137.13344	1.6
141.07016	2.5
142.07753	4.5
143.08556	20.8
144.09364	2.9
145.10133	62.8
147.08063	2.7
147.11696	45.1
149.05984	1.9
149.09714	2.2
149.13268	13.5
151.11185	6.9
153.12717	1.5
155.08513	4.5
156.09349	4.3
157.10141	26.8
158.10902	3.7
159.08066	3.0
159.11710	44.0
159.94081	1.4
161.09622	4.0
161.13269	19.4
163.07562	3.7
163.14828	17.6
164.07062	6.7
167.03322	1.7
167.07056	3.8
167.08484	1.9
168.09306	1.7
169.10155	9.2
170.10945	5.2
171.11711	18.5
173.13275	39.2
175.14833	24.0
177.05461	2.6
177.16380	14.4
181.10219	2.0
182.10957	1.7
183.11720	8.4
184.12508	2.2
185.13274	35.0
187.14833	66.8
189.16382	20.9
191.14285	8.5
191.17984	2.9
193.15906	2.2
195.11722	3.2
197.13264	12.2
199.14841	39.2
201.05566	2.0
201.12762	2.9
201.16385	43.8
203.14388	17.3
203.17973	21.3
205.15887	50.6
205.19324	2.0
207.06511	2.7
207.17567	3.1
209.13234	4.5
211.14818	12.5
213.05469	1.9
213.16405	25.0
215.07042	1.8
215.14337	4.3
215.17917	9.2
217.15929	16.5
219.13965	2.2
219.17456	18.1
225.16403	6.5
227.17960	5.7
229.15924	4.8
231.17447	8.1
233.15381	4.8
233.19057	2.0
237.16367	2.7
239.17986	4.6
241.19475	5.5
243.17471	3.5
245.15410	6.6
245.19255	2.0
247.16956	3.9
249.14777	6.9
253.19562	4.8
255.21098	3.3
257.19165	2.0
259.16959	3.6
265.19702	2.2
267.21094	6.0
273.22092	2.3
275.09161	1.9
279.21088	1.6
281.22757	3.0
283.20578	6.2
297.22183	2.4
299.20117	1.8
311.23972	2.0
333.25848	2.3
335.23721	2.2
343.91095	1.5
349.25339	1.7
351.26794	3.1
387.30463	6.4
393.31415	3.8
395.33002	3.6
405.13416	1.8
405.31519	45.0
407.33267	12.0
421.31134	2.2
423.32587	27.7
433.31079	7.7
439.32120	4.3
451.13431	1.5
451.32199	21.2
469.15164	3.3
469.24438	4.1
469.33115	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	469.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53585	1.3
53.03946	4.8
55.01883	1.5
55.05515	14.7
57.03424	2.0
57.07065	3.9
65.03949	2.8
67.05508	18.5
69.03436	6.1
69.07076	15.5
70.59606	2.5
70.59943	3.4
71.04982	2.2
73.02930	1.8
77.03907	2.4
79.05499	20.3
81.03419	4.2
81.07064	55.1
83.04988	20.0
83.08614	10.8
85.02905	8.5
85.06543	2.5
87.00817	2.1
89.04028	1.4
91.05482	27.0
93.07053	47.3
95.04973	8.3
95.08617	56.8
95.91016	1.5
97.02900	12.2
97.06541	3.3
97.10168	3.2
99.08103	18.9
103.05501	2.5
105.01908	1.7
105.07041	75.4
107.04948	2.2
107.08605	71.1
109.02889	3.6
109.06508	7.1
109.10165	32.9
111.08089	5.6
111.74468	1.3
115.05467	3.2
116.06218	1.9
117.07014	10.5
119.08593	100.0
121.06528	4.3
121.09306	3.1
121.10151	48.0
123.04450	1.5
123.08060	5.3
123.11716	18.3
125.09622	5.0
127.03870	3.7
128.06239	3.4
129.07056	6.8
130.07777	2.5
131.08585	51.9
133.10146	61.4
135.08066	5.1
135.11705	20.7
136.07582	3.2
137.05978	6.9
137.09625	3.9
138.09149	3.2
141.07021	1.6
142.07797	4.6
143.08563	23.7
144.09334	4.4
145.04993	2.0
145.06471	1.8
145.10136	65.2
147.08023	2.5
147.11697	39.0
149.05884	1.7
149.09656	4.5
149.13272	11.7
151.07541	2.8
151.11186	7.4
155.08562	6.2
156.09332	5.4
157.10143	27.8
158.10899	5.2
159.11713	51.0
161.09572	3.6
161.13281	23.1
163.07578	4.0
163.11240	3.0
163.14839	23.6
164.07085	4.5
165.12816	3.4
167.03403	3.2
167.07036	4.0
167.08490	1.7
167.10750	1.7
169.10193	7.1
170.10936	4.6
171.11713	20.3
171.75177	1.5
172.12492	4.0
173.13284	41.0
175.11308	2.5
175.14838	33.1
177.05493	3.3
177.12822	2.4
177.16373	14.2
179.27890	1.7
181.10197	2.3
183.11678	9.9
184.12547	2.9
185.13287	34.6
187.07443	1.8
187.14833	76.2
189.12770	2.8
189.16422	24.6
191.07039	2.0
191.14323	6.7
191.17984	2.7
193.15919	3.5
195.11765	4.8
197.13309	9.7
199.14844	39.2
201.16403	53.2
203.14322	17.3
203.17966	22.8
205.15891	52.4
207.17494	2.4
209.13220	5.2
211.14810	13.2
213.05368	2.0
213.16396	23.1
215.14322	4.0
215.18047	6.9
217.15939	15.1
219.17426	20.5
220.18100	1.5
221.15259	2.3
223.14783	3.5
225.16437	5.3
227.14372	1.9
227.17955	4.5
229.15868	5.3
231.17485	7.4
233.15436	5.0
233.18985	2.0
235.14961	1.5
237.16516	2.1
239.17946	4.4
241.19540	8.2
243.17442	5.4
243.21236	1.4
245.15446	5.6
247.16881	3.8
249.14859	6.1
253.19499	4.9
255.21120	3.7
257.18976	2.4
259.16953	5.2
265.19598	3.0
267.21182	5.9
271.20566	1.9
277.19681	1.9
279.21167	1.6
281.22641	2.2
283.20560	5.2
296.80017	1.6
297.07541	1.5
299.20074	1.8
305.22583	1.4
311.23544	1.9
317.22644	2.7
333.25717	3.3
335.23822	3.3
349.25229	1.9
351.26941	2.3
365.28207	2.3
374.57721	1.5
377.32169	1.7
387.30380	7.8
389.32339	2.0
393.31445	4.2
395.32993	3.4
405.31558	49.3
407.33215	12.2
411.28638	2.1
423.32611	26.7
433.31082	9.7
439.32074	5.9
451.32187	17.1
469.15442	2.7
469.23743	3.4
469.33185	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90309	1.8
78.57226	1.0
87.04478	12.2
102.25887	0.9
105.74638	0.9
109.02647	100.0
121.06470	1.8
150.05305	0.9
164.07045	5.2
167.05750	1.0
180.06607	1.4
182.08141	20.0
204.06447	1.5
222.07500	1.4
223.07916	1.1
223.14528	0.8
246.07533	0.8
250.10768	0.9
268.11844	16.5
272.08945	10.2
290.10007	84.1
314.10043	1.2
366.13107	18.8
430.32956	0.8
437.14172	0.8
452.16861	11.7
470.17905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52450	0.3
53.03935	1.3
55.05515	6.6
57.03434	0.4
61.35480	0.3
64.51424	0.4
69.03436	1.9
70.92057	0.4
70.99995	0.4
71.00336	0.6
71.04996	0.7
73.02901	0.3
73.73684	0.4
79.05473	0.5
81.03450	2.1
81.07053	0.7
82.06584	37.5
84.08154	3.2
85.02907	3.1
91.05492	1.8
93.07073	2.2
94.06564	1.0
96.08132	1.9
97.02881	1.8
99.04440	0.4
99.66895	0.4
100.07625	2.2
103.05473	1.3
109.02893	3.4
121.06515	13.0
122.06051	1.1
124.07602	4.9
126.05522	0.6
126.09184	0.8
127.03926	3.3
128.07088	100.0
128.78381	0.3
129.07417	0.5
140.07065	1.5
142.08638	9.1
145.04988	1.5
160.03882	0.3
168.06584	3.4
169.04912	0.4
170.08189	1.3
186.07648	2.3
187.06044	2.6
188.09196	9.8
205.07114	1.5
255.02449	0.3
268.11771	1.0
286.12933	0.7
288.14410	0.4
290.12512	0.6
296.11328	5.2
314.12357	8.6
332.13416	26.3
333.13763	0.4
350.14563	0.7
369.16666	0.5
424.19638	0.5
470.20264	27.3
471.20877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
66.02375	0.4
66.56231	0.4
71.32401	0.9
74.42344	0.4
75.04501	0.6
77.38994	0.5
91.05498	4.4
91.12681	0.5
93.07049	7.1
95.04985	1.2
97.23522	0.5
103.05477	4.9
111.04477	0.5
121.06517	100.0
122.06803	0.8
123.13812	0.5
149.02385	0.9
155.03525	0.5
167.03448	0.6
181.04919	1.2
191.03502	0.9
195.06551	1.2
205.04872	0.6
223.05980	1.8
237.07690	0.6
340.50046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03942	1.1
69.89868	0.4
70.47049	1.5
70.92154	0.4
91.05484	4.4
93.07047	6.1
95.04974	1.3
103.05475	4.9
105.04529	0.7
110.44138	0.4
113.72910	0.4
121.06512	100.0
122.06834	1.0
145.02190	0.4
149.02359	1.5
153.05524	0.4
153.66460	0.4
163.03891	0.4
167.03429	0.8
177.47488	0.4
181.04961	4.2
189.10301	0.4
191.03484	0.6
209.04486	0.7
223.06044	4.5
224.59140	0.4
230.97624	0.4
255.08763	0.6
265.07068	1.1
283.08182	0.5
304.44424	0.4
329.09940	0.4
364.49463	0.4
403.13644	0.7
470.17175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
62.05106	0.6
70.26043	1.6
84.69347	0.5
91.05482	5.0
93.07051	7.8
95.04981	1.6
98.20898	0.9
98.21404	1.0
103.05485	5.1
105.04523	0.6
109.02613	1.3
116.95506	0.5
121.06516	100.0
122.06870	1.0
126.03635	0.6
149.02361	0.7
163.03905	0.6
167.03444	0.6
170.11055	0.8
174.76804	0.5
179.46620	0.6
181.04982	4.0
191.03403	1.0
195.06741	0.5
216.76741	0.5
223.05962	3.6
227.14415	0.7
255.13844	0.8
265.07089	0.8
268.12012	0.5
272.76431	0.5
272.79504	0.6
273.14890	0.6
283.08163	1.1
290.10117	0.6
290.13718	0.7
403.13669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.37311	0.3
61.80959	0.3
69.62440	1.7
69.62842	0.6
75.04485	0.7
77.03915	0.4
91.05482	4.8
92.01234	0.4
93.07049	7.4
95.04985	1.0
98.21418	0.7
103.05470	4.4
110.23274	0.3
111.04474	0.4
121.06511	100.0
122.06863	1.0
135.04428	0.3
149.02333	0.8
181.04965	1.2
191.03450	0.6
195.06610	1.3
205.04994	0.8
223.04150	0.3
223.05971	1.7
237.07602	1.4
255.08701	0.9
264.68195	0.3
283.08261	0.3
343.72031	0.4
360.66455	0.3
403.14072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
54.20678	0.4
61.61144	0.4
69.46183	3.5
78.58581	0.5
79.63824	0.4
81.07072	0.7
82.14994	0.4
86.37012	0.5
91.05483	4.4
93.07050	6.3
95.04986	1.0
98.20776	0.9
103.05482	3.5
105.04515	0.6
105.07037	0.7
109.02656	0.8
112.24459	0.4
121.06512	100.0
122.06857	0.9
147.07893	0.4
149.06015	1.0
163.03935	0.9
167.03407	0.9
167.07069	0.6
181.04958	2.7
195.06540	1.0
223.05984	1.4
227.04932	0.5
233.78920	0.5
255.08731	1.8
269.10297	1.1
290.09805	0.6
308.13263	1.0
375.14359	1.5
411.35986	0.5
453.09305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
56.96571	5.5
57.03430	1.2
69.03432	1.9
70.06584	1.3
71.04999	6.5
71.56974	0.7
81.03421	1.2
81.07050	1.0
82.06582	1.0
84.08134	1.2
84.96035	2.5
85.02908	9.4
89.03928	0.8
90.96896	0.6
91.05492	2.2
97.02893	2.5
98.97588	17.0
99.04469	0.6
110.97585	6.8
112.99138	1.4
116.63561	0.6
116.98615	5.2
117.03375	1.1
119.04944	5.4
121.06535	2.8
124.99183	0.7
127.03932	1.8
128.07115	3.1
128.98624	4.6
129.05501	1.9
129.07413	0.7
131.00204	1.8
135.04424	2.9
140.98615	1.6
143.00179	2.4
144.98090	1.0
145.02820	1.9
146.99686	1.4
147.04419	26.4
152.98563	0.8
155.00148	0.8
157.62074	0.7
158.99683	2.8
161.01239	1.7
162.99258	0.8
163.00702	2.2
163.03903	21.2
164.04373	0.8
165.05482	1.5
170.99701	2.7
173.01378	0.7
177.00723	2.7
177.02202	0.9
181.01738	2.7
182.79988	0.8
189.00800	1.9
193.01787	3.2
194.70110	0.6
195.03265	3.9
201.00742	1.5
211.02896	1.8
213.04376	3.3
219.01750	10.5
219.03615	0.9
223.02744	0.9
237.02545	10.6
237.04695	2.4
251.06200	0.7
255.05563	1.4
278.91989	0.7
279.05505	2.5
309.09781	1.5
339.07486	19.0
357.08636	12.1
457.19754	0.8
471.12378	100.0
472.12820	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
56.96563	4.0
57.03440	2.7
61.02929	3.6
63.21182	1.6
69.03435	13.2
70.03753	1.4
70.06567	1.4
70.95551	2.2
70.95908	3.2
71.04981	5.4
71.22825	1.6
73.02907	3.9
74.47435	1.6
81.03426	6.0
81.07089	1.7
83.04977	3.2
84.96008	1.8
85.02913	33.3
85.06515	2.0
86.06054	2.6
86.09711	2.5
87.04482	2.8
91.05487	2.8
97.02892	14.1
98.97594	22.1
99.04466	2.7
101.00898	5.7
107.04942	2.4
109.02891	2.9
109.69167	1.7
110.97596	4.2
112.99098	1.9
115.02459	1.4
116.78757	1.3
116.98621	6.1
119.01929	8.8
119.04942	2.5
123.17823	1.5
127.03964	9.8
127.04767	1.8
128.98572	4.2
129.05507	2.5
131.01892	3.7
131.04910	5.9
132.05354	1.6
135.04475	1.6
137.05994	21.1
138.06281	1.9
143.00185	2.3
143.01906	5.4
143.65604	1.5
145.01682	1.7
145.03543	2.5
145.04984	6.6
147.03293	1.6
147.04393	7.0
149.06000	2.0
151.03871	2.7
155.01860	3.2
155.02988	1.7
157.03506	5.0
158.99652	5.9
159.13876	1.6
161.01244	4.2
161.02994	5.0
161.05878	2.4
163.03944	5.9
163.07524	2.2
167.07065	5.2
170.99681	2.3
173.02940	2.3
175.04472	3.8
175.07634	1.9
177.00859	3.4
177.05559	2.5
179.02321	2.0
179.07059	3.8
185.02966	3.4
187.04437	8.2
189.00673	1.6
190.06065	1.5
191.04160	1.5
192.04758	4.2
195.05161	1.8
199.04561	3.6
201.00778	3.2
205.05629	5.3
217.05632	1.7
219.01822	5.9
221.03241	3.5
221.05164	3.4
223.06607	11.1
224.06528	2.0
224.98975	1.6
225.06270	2.2
237.02849	6.0
239.04324	6.5
241.07991	1.9
245.11388	2.6
257.05386	1.7
259.06946	1.5
265.07800	5.9
267.07419	1.8
277.07901	1.6
279.03943	2.4
280.07773	2.6
289.07880	18.9
289.58038	3.0
290.09259	1.5
291.09424	3.0
298.08536	3.2
299.09628	11.6
307.08765	5.6
309.10251	1.6
335.12570	1.5
345.25946	1.7
362.10052	1.9
367.10962	3.6
369.10733	2.1
371.11746	4.7
380.12161	12.1
383.08154	1.8
411.10324	2.3
430.39874	1.6
471.12656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91636	0.3
56.96596	0.4
57.03437	0.7
59.02340	0.3
69.03438	0.5
71.05000	2.4
71.57475	0.3
72.08141	0.3
73.02908	0.3
73.28944	0.3
75.04472	0.5
83.04993	0.7
85.02908	5.7
95.04968	0.4
97.02897	0.5
97.06545	0.3
98.97597	1.0
110.97607	0.4
111.04426	0.7
116.98639	0.4
117.03400	0.4
121.06588	0.4
127.03906	0.6
129.05519	1.6
135.04417	0.4
135.11931	0.4
137.05927	0.7
145.02899	0.4
145.04980	0.4
147.04390	0.6
147.06548	0.8
161.06050	0.4
163.03941	2.8
167.07127	0.5
177.05510	0.4
181.04884	0.4
187.67374	0.3
195.05037	0.4
219.01871	0.5
228.34270	0.3
237.02866	0.6
259.06784	0.4
264.80481	0.3
306.08728	0.6
312.72549	0.3
339.10352	1.1
357.10147	0.4
429.10373	0.4
471.14771	100.0
472.14999	1.6
493.41049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79558	0.3
53.03928	0.5
57.03429	1.3
58.45129	0.3
63.02367	0.5
69.03414	0.9
70.06551	0.4
71.04990	6.5
71.09088	0.9
79.05468	1.2
81.03419	1.8
82.04916	0.3
83.04961	1.1
85.02908	9.4
89.03404	0.6
89.03922	7.0
95.04951	0.5
95.26922	0.4
97.02874	1.8
99.04438	0.4
101.53106	0.3
107.04981	2.2
109.02892	1.1
111.04448	1.0
112.99053	0.3
117.03378	10.4
127.03944	0.9
129.05475	2.3
135.04417	17.0
137.05905	0.5
145.02850	14.3
147.04379	0.3
147.06516	0.5
149.05937	0.3
150.39180	0.3
153.48576	0.3
163.03908	100.0
164.04228	0.6
165.05515	0.7
167.03343	0.4
173.05962	0.4
177.05482	2.9
181.04950	0.8
185.05856	0.4
217.08765	0.4
230.95665	0.3
265.07101	0.4
273.07501	0.6
286.37228	0.3
291.08719	0.7
307.08115	0.9
309.09561	1.1
325.09137	1.2
328.11142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.35729	0.4
57.03446	3.8
59.04985	0.4
59.82594	0.3
69.03425	1.9
69.85054	1.0
69.85465	0.9
71.04997	18.7
71.95631	0.3
73.02917	0.8
75.04465	1.2
79.05491	0.8
81.03424	1.0
83.04990	2.2
85.02908	22.9
87.04478	0.8
89.03925	5.3
91.05478	0.4
95.04945	0.4
97.02888	2.8
98.20805	0.5
99.04449	1.3
107.04952	1.5
109.02894	0.8
111.04443	1.2
117.03384	7.2
123.04431	1.4
123.45524	0.4
125.02374	0.3
127.03904	1.6
129.05490	5.4
135.03394	0.7
135.04422	12.3
145.02869	9.7
145.04004	0.7
147.06534	1.5
149.05968	0.4
151.03946	0.6
156.29622	0.4
159.25568	0.4
161.06010	0.6
163.03914	100.0
164.04298	0.8
165.05479	1.0
169.04887	0.7
177.05496	0.9
181.04929	1.3
189.05515	0.4
191.03448	0.5
193.05061	0.5
197.45912	0.4
205.04912	0.4
213.07556	0.4
241.58797	0.4
265.06958	0.9
273.07565	1.6
291.08774	0.5
307.08145	1.5
309.09760	1.5
325.09183	6.3
402.60175	0.3
471.14893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05514	1.4
57.03442	3.8
65.03954	0.6
67.05503	0.8
69.03426	3.0
70.06584	2.1
71.01350	0.8
71.05000	20.3
71.53779	0.9
73.02925	1.0
75.04471	1.4
77.03960	0.6
79.05486	1.8
81.03427	2.4
81.07023	0.8
83.04986	2.1
84.08120	1.0
85.02912	24.7
85.62120	0.6
86.09718	1.3
89.03914	5.1
91.05482	2.5
93.07056	1.1
95.08625	1.1
97.02904	9.8
98.97584	1.8
99.04427	1.4
105.07045	0.9
107.04947	2.7
109.02892	2.3
109.06494	0.6
111.04449	1.5
112.07607	1.0
115.05494	1.2
117.03387	8.2
119.04937	0.7
119.08608	1.0
121.06493	1.6
123.04408	3.0
124.85162	0.6
126.06139	0.6
127.03918	2.6
128.06262	0.9
129.05484	6.4
131.04959	0.7
133.02890	1.1
135.04422	14.2
135.08067	1.5
137.05959	3.1
137.09631	1.1
143.04906	1.2
145.02856	17.9
145.04941	1.0
147.04439	1.8
147.06500	1.4
149.05984	1.4
151.03947	1.7
153.05479	1.2
157.06509	0.7
158.99684	0.9
161.05975	1.6
163.03917	100.0
165.05511	1.8
167.03392	2.5
175.03893	1.1
177.00719	0.8
177.05484	13.9
178.48575	0.7
181.04982	1.2
185.06013	0.7
187.07576	1.7
189.05449	0.8
189.09187	0.8
199.07484	1.0
201.05504	0.8
203.06929	0.7
217.08690	0.8
219.06537	2.6
235.10863	1.0
245.08159	2.0
261.07556	1.2
273.07550	6.7
279.03949	0.9
291.08685	3.6
307.08051	1.4
309.09747	2.0
325.09238	5.6
361.09070	0.9
453.12094	0.8
471.13196	1.5
471.20422	7.3
492.56552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
53.86856	0.8
55.05513	1.7
56.96559	1.6
57.03446	4.1
57.07077	2.3
60.08135	0.8
67.05519	4.9
69.03450	3.9
69.07084	0.8
70.06595	3.3
71.05001	22.4
71.06915	0.9
72.08137	1.2
73.02937	1.8
76.83675	0.7
79.05494	2.7
81.03443	1.7
81.07077	1.4
83.04987	2.5
84.04498	1.3
84.08144	2.2
85.02913	26.3
85.03432	1.3
85.06549	14.8
86.06058	1.5
86.09709	3.0
87.04469	6.7
89.03939	4.9
91.05496	3.1
93.07053	2.1
95.04948	2.2
97.02882	5.5
98.20777	1.9
98.97579	1.1
99.04436	1.2
100.11270	4.3
101.98872	0.8
105.07056	1.5
107.04967	3.2
107.08646	0.9
109.02887	1.1
109.06570	0.9
109.10161	2.5
110.06085	0.9
110.10513	0.9
111.04430	2.3
116.51350	0.9
117.03361	5.1
119.04961	2.7
119.08607	1.2
121.06525	5.8
123.04469	2.3
125.00027	1.0
125.04767	0.9
127.03912	2.0
129.05507	7.6
131.04955	1.1
133.10115	1.1
135.04430	13.2
137.05974	1.7
145.02875	9.7
145.04919	1.1
147.04430	11.3
147.06610	1.1
163.03920	100.0
164.07079	8.6
165.05540	0.9
177.05626	1.0
181.04984	1.5
181.12198	1.1
182.15472	1.0
184.07301	4.5
191.14336	3.8
207.13863	1.7
210.14888	1.7
236.09171	0.9
237.04430	2.4
250.10741	16.4
255.05537	0.9
273.07434	1.1
291.08640	2.0
291.19589	1.7
297.06396	1.9
297.15314	1.4
307.07956	1.1
309.09763	2.9
309.14340	1.2
314.15475	0.9
315.16412	2.7
325.09253	5.3
329.65076	0.9
332.17166	1.9
333.17331	2.8
471.13553	18.5
471.19385	2.1
471.35641	6.5
472.17694	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2206
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
53.03931	0.4
56.71339	0.3
57.03413	0.3
57.04551	0.4
67.05514	0.5
68.75288	0.3
69.07072	0.9
69.40243	2.5
71.04993	0.7
72.08160	5.5
81.07056	1.3
84.08113	0.3
85.02888	1.0
86.09708	1.4
91.05494	0.7
93.03703	0.4
93.07065	0.9
95.08611	0.7
97.02959	0.4
97.07665	0.5
98.20901	1.2
105.07040	0.5
107.08594	0.8
109.02683	0.7
109.10136	0.6
119.04955	0.4
119.08559	0.4
121.06524	1.8
121.10043	0.3
128.10768	1.0
128.11845	11.2
133.10139	1.3
135.04393	0.5
145.02798	0.4
147.04422	2.2
151.11185	1.2
163.03931	3.3
164.07124	0.5
169.12315	0.5
213.20760	0.3
216.23607	0.3
238.87953	0.3
275.07343	0.6
290.10074	0.5
291.10339	0.4
291.13892	0.7
291.16989	3.8
333.07797	2.2
335.09494	6.9
339.17697	0.7
397.21207	0.5
471.22031	100.0
472.22488	1.4
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
53.70798	1.1
54.50544	1.3
55.05526	7.0
57.03431	1.4
57.07063	3.5
57.56200	1.1
65.03947	1.2
66.34937	1.4
67.05510	12.9
69.07071	13.7
70.69663	2.7
71.04990	1.7
79.05498	9.2
81.07061	27.8
83.04999	5.8
83.08624	9.2
85.06546	1.9
91.05483	9.7
92.79379	1.2
93.07053	20.4
95.04969	3.6
95.08614	44.3
97.06524	2.6
97.10163	3.1
99.08092	1.3
105.07036	28.7
107.08601	40.7
109.06538	4.9
109.10168	25.1
111.08117	3.9
117.07018	2.7
119.08593	42.0
121.06525	3.0
121.10148	22.9
122.31815	1.2
123.08092	4.3
123.11717	13.4
125.09641	3.6
127.11226	2.3
129.07004	2.9
131.08586	7.4
133.06474	1.7
133.10150	25.5
135.08087	4.5
135.11708	25.6
137.09642	4.5
137.13292	2.3
143.08571	4.1
144.09294	1.3
145.10133	12.9
147.08099	2.7
147.11702	23.9
149.09671	3.4
149.13292	11.2
151.07552	9.1
151.11241	3.5
155.08591	2.8
156.09312	1.2
157.10175	4.8
159.08041	1.5
159.11694	10.3
161.09622	3.7
161.13255	10.8
163.07591	1.4
163.11154	1.8
163.14848	9.0
165.09117	2.0
166.09923	2.5
169.10114	2.7
171.11699	6.3
173.13292	10.1
175.11255	3.4
175.14847	21.6
177.12846	2.8
177.16394	8.2
179.14403	2.4
183.11688	1.6
185.13205	5.9
187.14848	11.6
189.12846	1.9
189.16393	35.3
191.14317	4.8
191.17966	11.2
197.13376	2.8
199.14838	4.3
201.12836	2.8
201.16438	5.1
203.14415	5.5
203.17920	13.0
205.15887	10.6
207.17471	17.9
209.13406	1.4
211.14839	1.6
213.16451	3.3
215.14359	1.6
215.18071	4.0
217.15939	4.8
217.19492	2.9
219.17459	2.2
221.15396	6.0
221.18970	1.3
225.16490	2.1
227.18022	2.6
229.16029	1.5
229.19580	2.9
231.17473	3.3
233.15468	1.4
233.19009	1.6
235.16971	12.8
239.18069	2.5
245.19040	1.8
247.17232	1.6
249.14920	1.6
255.21288	1.3
263.16473	3.7
267.21109	1.5
273.18735	1.4
285.22137	1.3
287.20282	1.7
297.22015	1.5
301.21881	1.5
311.23691	1.6
313.21259	1.5
331.22794	2.3
342.39163	1.2
345.28128	3.4
354.18234	1.4
354.46652	1.4
359.25601	2.0
373.27518	1.5
374.28253	2.9
375.29044	1.8
385.31403	2.1
387.29327	1.4
389.32086	1.9
407.33087	9.0
409.31305	1.8
417.30984	1.3
425.34174	14.9
435.32629	5.1
441.34195	1.8
443.35266	100.0
444.35904	2.6
453.33722	21.7
471.34827	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
50.13937	1.6
53.03937	2.8
55.05512	7.2
57.03395	1.9
57.07079	2.0
65.03960	2.3
65.52657	1.5
67.05505	8.6
69.03424	4.5
69.07079	10.5
69.12603	1.5
69.46641	11.4
71.04975	1.8
79.05501	10.4
81.07063	25.2
81.10261	1.8
82.70612	2.0
83.04989	1.9
83.08614	5.9
85.02902	4.0
91.05482	23.1
93.07046	27.7
95.04967	5.2
95.08608	33.4
97.02920	13.3
97.10137	2.2
103.05482	8.5
105.07046	30.0
107.04994	1.8
107.08590	27.9
109.06501	3.3
109.10167	17.9
111.08087	10.3
117.03379	7.0
117.07010	3.9
119.04913	1.8
119.08591	38.6
119.09450	2.1
121.06513	100.0
121.10145	18.6
122.06850	28.5
123.11692	5.5
127.03926	2.0
129.06982	2.0
131.05035	2.0
131.08568	18.3
133.10141	23.8
135.04448	3.3
135.08017	2.2
135.10814	1.7
135.11681	10.9
137.05986	15.0
137.09628	1.9
143.08554	6.0
145.02858	16.9
145.10133	26.8
147.08040	2.1
147.10527	2.0
147.11694	30.2
149.02339	2.7
149.13277	22.3
157.10158	6.8
159.11726	21.1
161.13307	15.1
163.03896	6.0
163.11186	2.3
163.14877	8.2
165.09125	2.5
167.03453	3.1
171.11659	6.5
173.13277	17.2
175.14853	22.2
177.05478	33.1
177.12825	1.9
177.16389	24.7
181.04979	2.1
183.11717	2.0
185.13216	8.1
187.14816	23.7
189.16389	21.3
191.14304	2.4
191.18039	3.7
193.16055	2.6
197.13326	2.0
199.14836	6.2
201.16397	36.1
203.14340	5.3
203.17969	11.8
205.15894	21.7
206.04489	5.7
207.17479	11.0
213.16426	8.1
215.14368	1.9
215.17981	6.6
217.19580	3.1
219.17476	9.6
221.15349	2.4
224.05524	20.2
227.17989	3.2
233.19011	6.8
245.08165	1.9
245.19182	1.8
247.16943	6.0
249.14870	3.9
250.07123	4.2
266.06570	8.1
268.08203	9.7
284.08185	2.2
288.73325	1.9
291.08752	2.2
310.09222	18.1
314.88559	1.9
349.28531	2.2
352.10339	2.1
367.30023	5.4
389.31860	3.2
395.29126	4.0
407.33096	19.9
413.30426	5.0
423.32553	2.7
425.34308	10.9
430.14850	15.9
435.32642	11.4
441.33408	3.0
453.33786	18.1
471.35037	14.8
485.85724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3475
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05519	11.6
56.96569	4.4
57.03429	2.7
57.07061	8.3
61.02925	3.2
65.89387	1.8
67.05507	27.3
69.03434	3.0
69.06787	1.7
69.07077	19.5
69.39527	3.7
69.39933	9.6
71.04990	4.8
79.05492	15.1
81.03403	1.9
81.07059	69.8
83.04977	3.3
83.08624	8.5
85.02898	7.0
91.05486	15.8
93.07040	26.7
95.04977	3.5
95.08614	100.0
97.02921	2.0
97.06507	4.3
97.10159	5.5
105.07037	29.2
106.07404	2.2
107.08600	39.7
109.02625	1.8
109.06505	3.1
109.10163	44.7
111.08078	3.7
115.05507	1.9
117.06995	4.8
119.08592	54.2
121.06492	5.8
121.09314	2.7
121.10155	38.2
123.04417	2.9
123.08067	3.7
123.11717	41.7
125.09614	3.8
129.07028	3.4
131.08563	16.5
133.10135	38.8
135.04352	2.3
135.08022	4.3
135.11716	18.8
137.09669	2.6
137.12300	2.9
137.13266	38.6
142.07738	2.1
143.08551	7.6
145.10129	31.7
147.11681	17.0
149.09592	4.3
149.13249	11.0
151.11232	2.5
151.14810	3.2
155.08551	3.4
156.09378	2.1
157.10138	12.5
158.10995	2.0
159.11719	29.4
161.09616	1.9
161.13277	17.7
163.03935	14.7
163.07602	4.1
163.11105	3.9
163.14877	9.9
165.16473	2.9
169.10048	5.6
170.10927	2.0
171.11664	11.5
173.13245	16.3
175.14828	23.7
177.09132	2.7
177.16414	11.9
179.14368	2.5
179.17914	13.2
183.11694	4.8
185.13275	9.2
187.14824	33.8
189.16403	18.7
191.17940	6.5
193.15843	3.7
197.13293	2.7
199.14813	11.7
201.12929	1.7
201.16389	38.7
203.14301	5.9
203.17937	11.5
204.18381	2.2
205.15915	13.3
207.17326	3.2
211.14909	5.0
213.16420	20.6
215.14264	1.8
215.17917	13.2
217.15962	2.8
219.13768	2.1
219.17400	14.4
221.15311	3.2
223.16876	2.7
225.16463	2.2
227.17851	5.0
229.15887	5.5
229.19522	6.4
231.17476	2.6
233.18942	4.3
235.16905	3.1
237.18518	2.6
239.18068	4.2
241.19383	4.0
243.21149	2.6
245.15346	4.1
247.16928	15.3
249.15007	2.0
249.18581	3.0
253.19614	3.0
255.21202	2.6
257.15378	4.9
259.16968	11.3
261.18451	3.9
267.21207	1.8
269.10559	3.8
285.18387	2.0
287.20209	3.1
311.23691	3.2
313.21945	1.9
349.17474	2.1
389.32144	6.1
407.33051	23.3
425.34235	21.7
435.32654	28.7
437.34091	10.2
453.33768	25.5
471.22803	2.3
471.34836	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
53.04516	2.5
55.05521	16.1
56.05013	2.9
57.07069	4.3
58.92527	2.2
59.05000	3.2
67.05510	19.0
69.03426	7.1
69.07069	15.8
70.82835	6.2
71.04985	3.7
72.69678	2.5
76.54445	2.1
79.05501	13.8
81.07063	50.4
83.04984	4.4
83.08615	8.6
85.02891	7.8
89.03907	7.2
91.05479	25.5
93.03400	2.9
93.07050	36.9
94.46278	2.3
95.04958	4.1
95.08610	72.7
97.02898	35.7
97.06502	2.8
97.10162	5.6
103.05433	3.3
105.07034	53.1
107.08600	71.6
109.06502	2.5
109.10160	43.6
111.08090	8.5
112.15667	2.4
115.05467	2.7
117.03374	17.3
117.06999	8.8
119.04991	2.7
119.08589	69.9
121.02875	2.9
121.06528	7.0
121.10144	53.2
123.08079	4.3
123.11711	18.1
125.09642	19.8
129.07024	4.8
131.04900	2.5
131.08583	28.3
133.10138	60.8
135.07999	3.4
135.11691	25.3
137.05994	28.1
137.09616	5.0
137.13271	4.1
143.08548	10.8
145.02859	46.6
145.09032	4.5
145.10127	56.9
145.11276	3.0
147.04375	2.4
147.08020	2.9
147.11699	33.7
149.02379	3.5
149.05965	9.0
149.09622	4.5
149.13272	19.5
151.11150	4.1
153.09105	3.2
156.09383	3.0
157.10094	13.1
159.11690	51.5
161.09663	4.3
161.13251	26.9
163.03906	11.2
163.11157	4.3
163.14828	22.7
165.09082	2.6
167.03362	13.2
171.11668	13.2
173.13249	37.3
175.11241	2.5
175.14836	33.1
177.05476	100.0
177.12730	3.7
177.16394	22.0
180.06573	4.9
183.11659	3.8
185.13278	7.5
187.14833	47.0
189.16368	44.8
191.14264	21.8
191.17879	12.3
193.15875	6.4
197.13322	4.5
199.14828	16.3
201.12738	4.0
201.16393	69.2
203.14322	9.1
203.17975	35.1
205.15883	27.5
207.17419	8.8
213.12711	2.4
213.16397	24.5
215.14458	3.3
215.17961	19.4
217.15909	5.7
219.17413	25.3
221.15408	7.5
223.16928	3.2
227.18059	4.2
229.16028	3.5
229.19466	5.5
231.17389	7.8
233.18976	4.7
235.16919	10.9
241.19518	6.0
243.21140	3.2
247.17006	17.0
249.14868	2.7
249.18492	7.3
253.19426	3.6
255.21213	3.8
261.18524	8.1
267.21027	4.0
283.24356	2.8
291.08707	7.1
327.23120	4.1
341.24765	3.8
389.31815	12.3
395.33307	6.2
407.33130	40.0
423.32666	11.1
425.34164	21.1
435.32693	29.5
441.33554	4.1
453.33716	33.4
471.17590	12.4
471.25320	5.2
471.34912	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	471.3472
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03944	3.9
55.05502	7.3
57.07072	2.9
57.35219	2.6
67.05509	15.9
69.07069	19.1
69.56857	3.7
71.40065	3.5
79.05490	22.6
81.07066	49.0
83.08618	7.6
84.27984	2.5
85.06527	4.5
91.05478	25.0
93.07056	50.8
95.08610	64.5
97.06509	3.4
97.10149	3.1
99.08107	19.0
105.07036	79.5
107.08599	80.6
109.06524	5.9
109.10146	29.2
111.08083	15.9
117.07021	10.5
119.08588	95.3
121.10146	42.6
123.08089	6.2
123.11717	11.7
125.09638	4.6
129.06979	3.1
131.08565	44.6
133.10136	57.0
135.11700	33.4
137.13284	4.5
139.11124	6.5
143.08556	11.7
145.02818	3.8
145.10124	55.5
147.11699	100.0
149.09630	3.6
149.13260	89.5
157.10165	16.6
158.10927	3.0
159.11688	50.4
161.13258	42.3
163.11142	4.1
163.14864	16.8
169.10136	3.9
171.11726	12.6
173.13266	29.8
175.14841	35.6
177.12817	5.1
177.16420	23.4
179.14319	5.7
183.11678	7.8
185.13248	18.1
187.14844	63.5
189.12695	2.8
189.16397	43.7
191.14291	6.2
191.17877	7.9
197.13225	6.2
199.14838	14.1
201.14590	4.8
201.16402	81.4
203.14362	14.6
203.17917	16.3
205.15881	37.9
207.17473	11.0
209.13310	3.2
211.14743	4.7
213.16393	15.7
215.17963	12.5
217.15862	8.0
219.17455	25.6
225.16464	3.0
227.17934	6.0
229.19362	3.7
233.19003	6.4
241.19522	5.9
243.21196	3.1
245.15558	3.0
245.19069	5.9
247.16875	8.5
249.14839	9.0
253.19383	3.5
265.17859	3.3
271.96640	2.7
295.24094	4.7
349.28873	7.8
367.29980	37.8
389.31732	7.0
395.29395	11.2
407.33102	42.7
413.30453	18.1
423.32178	4.5
425.34244	52.4
435.32932	15.5
441.33328	5.1
453.33813	42.1
471.35168	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	471.3472
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
53.03955	0.7
55.05510	2.7
57.03453	0.7
57.07085	0.8
59.04981	0.8
67.04122	0.6
67.05496	2.8
69.07061	4.2
71.40011	0.9
74.39862	0.7
79.05486	3.1
81.07065	10.5
83.08607	1.5
85.06544	1.1
88.83346	0.7
91.05468	3.8
93.07052	8.1
95.04977	1.2
95.08604	12.5
97.06528	1.7
97.10152	1.3
105.07028	11.4
107.08593	15.0
109.06537	1.7
109.10165	7.2
111.08093	1.6
113.05995	0.7
117.07016	2.0
119.08585	20.7
121.06525	1.7
121.10147	6.7
123.08092	1.3
123.11713	3.2
125.05981	1.8
125.20840	0.7
129.07053	1.7
131.08583	9.6
133.10130	16.7
135.08055	1.2
135.11691	19.4
135.12723	1.3
137.09633	1.8
143.08548	4.8
145.10123	8.3
147.11684	11.7
149.13284	2.7
151.11223	1.7
155.08563	1.5
157.10107	6.6
159.08109	1.1
159.11670	5.2
160.12515	0.8
161.13309	5.0
163.11238	1.1
163.14830	4.8
169.10158	5.6
171.08073	2.3
171.11734	3.2
173.09634	5.4
173.13246	8.1
175.13438	0.9
175.14879	3.2
177.12764	1.4
177.16360	1.3
181.10100	1.1
182.10896	1.6
183.11763	2.8
185.09596	1.8
185.13300	5.8
187.11118	1.2
187.14806	4.8
187.51532	0.7
189.09100	0.8
189.16379	37.4
191.14420	1.2
195.11662	0.8
197.13281	5.1
198.10434	1.0
199.11183	1.0
199.14799	1.8
201.12738	21.4
201.16425	1.5
203.14363	3.4
203.18008	2.9
205.15823	3.7
205.19600	0.8
207.17441	71.6
209.13306	1.8
211.14856	1.0
213.12735	4.0
213.16400	2.3
215.14313	10.2
215.17690	1.0
217.15836	1.0
219.13814	12.4
219.17262	1.1
221.15320	1.1
223.14928	1.0
227.14299	1.8
229.16046	1.2
231.13820	4.2
231.17358	1.0
245.15372	90.0
247.17006	2.7
249.14848	18.2
259.17004	1.9
263.16403	10.6
299.20044	1.5
338.47552	1.0
425.34448	1.1
435.32617	3.9
453.33707	16.8
471.34741	100.0
472.35104	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05513	16.0
57.07082	4.6
57.23362	3.6
57.49152	3.5
67.05511	19.8
69.07074	22.5
69.81114	20.1
79.05495	12.7
81.07054	40.3
83.08613	20.5
89.77454	3.9
91.05477	23.1
93.07045	43.2
95.08615	73.0
97.06522	7.2
99.08121	6.4
105.07045	50.5
107.08611	76.0
109.10155	34.6
111.08102	7.6
117.07016	9.1
119.08591	100.0
121.06510	5.1
121.10153	71.4
123.08115	5.2
123.11711	19.2
125.09630	6.0
131.08589	37.2
133.10141	79.4
135.08055	8.0
135.11699	34.7
136.93169	5.7
137.13280	5.7
143.08582	13.3
145.10133	55.5
147.11691	50.6
149.09665	8.7
149.13289	29.2
153.09177	4.7
154.94197	8.2
157.10153	12.9
159.11699	48.3
161.13274	27.5
163.07500	4.5
163.11217	10.9
163.14847	15.7
165.12755	4.5
171.11736	13.4
173.13310	31.3
175.11168	5.3
175.14886	42.0
177.09125	9.6
177.12798	5.9
177.16414	26.0
179.14282	4.9
183.11664	5.9
185.13278	16.6
187.14813	52.9
189.16406	47.1
191.14323	4.1
191.18005	15.5
195.11656	4.1
195.13841	4.4
197.13271	6.7
199.14877	13.0
201.16406	98.9
203.14413	5.9
203.17989	25.0
205.15898	51.7
207.17407	14.0
211.14926	8.0
213.16380	8.5
215.14384	4.4
215.17976	18.0
217.19580	5.1
219.17464	30.2
221.15408	4.6
223.17014	9.1
225.16315	5.3
229.15990	8.3
229.19562	8.2
235.16928	20.0
237.18419	6.4
241.19696	5.1
243.21042	5.5
247.16940	38.2
262.22003	4.7
317.17737	9.3
389.31973	6.6
407.33194	41.9
423.32663	5.3
425.34299	39.4
427.32111	6.0
435.32834	30.9
453.17404	9.1
453.33896	50.2
471.18106	14.9
471.34882	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91330	1.1
55.05526	6.9
57.07063	2.4
66.43507	1.4
67.05502	9.0
69.07067	10.9
69.30259	11.0
71.04998	1.4
79.05502	10.3
81.07066	16.0
83.04991	3.6
83.08620	7.3
89.03889	1.4
90.76368	1.1
91.05474	13.3
93.07051	25.7
95.04949	1.6
95.08611	28.9
97.02895	7.2
97.06517	2.2
98.21448	2.9
99.08087	3.9
105.06496	0.8
105.07036	32.0
107.08598	42.6
109.10155	19.2
111.08106	2.4
117.03365	2.6
117.07034	3.5
119.04964	2.6
119.08588	58.6
121.06483	1.7
121.09311	2.7
121.10146	35.2
123.08040	2.8
123.11702	6.6
125.09608	1.5
131.08566	26.6
133.10133	32.0
135.08104	1.8
135.11696	22.2
137.06018	8.9
137.09619	2.3
137.13304	2.0
143.08522	4.6
145.02826	9.2
145.10129	40.0
147.04401	2.4
147.11693	44.8
149.09666	2.8
149.13239	10.6
157.10138	5.8
158.10895	2.4
159.11694	30.1
161.13275	16.8
163.03891	4.6
163.11237	11.4
163.14851	11.3
165.09106	3.3
167.03397	3.0
171.11676	6.4
172.12456	1.7
173.13264	18.0
175.11198	1.5
175.14819	21.6
177.05493	15.2
177.12852	3.2
177.16397	23.5
183.11705	2.1
185.13255	5.4
186.13925	2.0
187.13138	2.6
187.14822	48.4
189.16391	35.7
191.14288	3.2
191.17996	6.2
199.14777	9.3
201.16400	100.0
203.17990	15.9
205.15886	84.5
207.17429	13.3
211.14828	2.2
213.16411	5.4
215.17987	5.3
217.15886	2.3
217.19527	2.6
219.17436	13.6
223.14835	2.8
223.16910	16.8
227.17957	4.0
229.15817	2.2
229.19682	1.6
231.17534	2.0
233.18974	2.0
241.19498	1.8
245.19017	2.8
247.16966	11.2
276.08463	4.4
353.28326	3.6
365.28357	1.7
389.32132	6.9
407.33112	42.0
425.34146	27.8
435.32556	6.0
453.33765	9.1
471.34744	4.8
472.15735	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	471.3472
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
55.05513	6.1
62.55347	1.7
67.05507	7.9
69.07063	10.4
70.62679	4.3
72.44041	2.0
79.05487	9.1
81.07067	16.6
83.08630	4.7
91.05473	12.6
93.07045	25.8
95.08607	26.0
97.10190	2.5
99.08110	4.1
105.07032	27.2
107.08598	43.0
107.09298	2.9
109.10154	21.8
117.07043	5.4
119.08578	53.9
121.10145	33.2
123.08115	3.1
123.11703	5.7
131.08580	22.8
133.10135	28.0
135.08138	1.9
135.11705	17.4
137.09557	2.4
137.13257	2.3
143.08586	2.9
145.10126	41.5
147.11687	43.4
147.12801	3.6
149.13252	10.6
157.10146	6.6
159.11696	27.1
161.13239	13.4
163.11151	9.8
163.14812	10.8
171.11719	7.5
172.12506	2.8
173.13284	18.1
175.14833	21.9
177.16386	25.3
185.13248	4.7
186.14113	2.3
187.14832	47.8
189.12721	2.7
189.16403	31.7
191.17941	3.3
199.14847	7.0
201.16394	100.0
203.17975	13.6
205.15891	89.6
207.17407	12.2
211.14693	2.9
213.16418	7.6
213.18381	2.1
215.18059	5.9
217.19589	2.8
219.17403	11.3
220.32175	2.1
222.31090	2.1
223.16936	15.6
227.17976	3.9
229.19527	3.1
231.17659	3.0
235.16876	2.4
237.18680	2.0
245.15437	2.5
245.18924	2.2
247.17010	10.8
353.28259	3.4
389.31891	4.9
407.33142	37.7
419.06833	1.9
425.34232	30.4
425.39560	3.9
435.32626	9.4
440.25925	2.1
453.34314	9.3
471.34976	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	471.3475
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05514	15.3
57.07076	4.2
64.74945	1.9
67.05513	16.1
69.03374	2.1
69.07072	20.8
70.75201	2.4
70.75543	4.8
71.04992	2.4
79.05502	13.9
81.07065	36.2
83.05003	3.4
83.08633	11.9
85.06541	3.2
90.33627	1.9
91.05482	18.2
93.07058	40.8
95.08617	64.2
96.16022	2.1
97.06501	2.4
97.10173	4.6
99.08088	3.3
104.09291	2.1
105.07045	43.5
107.08607	59.8
109.06506	4.5
109.10158	39.6
111.08075	5.1
116.21635	2.1
117.07019	9.8
119.08594	85.9
121.06474	3.3
121.09322	3.4
121.10165	62.5
123.08081	8.7
123.11723	17.6
125.09625	2.9
129.07024	2.8
131.08589	36.1
133.10146	67.2
135.08064	5.6
135.11700	32.6
137.06047	2.4
137.09676	3.2
137.13255	6.7
142.07770	2.9
143.08583	8.0
144.09338	2.4
145.10147	59.4
147.08034	2.4
147.11711	41.7
149.09607	10.6
149.13271	18.2
153.09138	3.8
157.10136	13.7
158.10930	2.3
159.11714	52.1
161.09561	2.6
161.13271	28.0
163.07582	4.1
163.11214	11.8
163.14830	18.4
165.09193	2.5
165.12730	4.0
169.10182	3.7
171.11682	10.4
172.12564	3.5
173.09662	4.2
173.13287	21.0
175.14854	30.8
177.09138	13.2
177.12794	7.0
177.16396	23.9
179.10756	2.5
183.11728	5.9
185.13246	8.5
186.14064	3.5
187.11333	2.3
187.14841	45.2
189.16399	44.0
191.17946	17.6
195.13768	4.6
199.14813	7.7
201.12813	3.2
201.16403	100.0
203.14284	2.9
203.18025	25.3
205.15916	63.8
205.19521	6.1
207.17435	9.0
211.14856	4.5
213.16397	9.2
215.14333	6.4
215.18022	14.1
217.15956	3.1
217.19626	3.6
219.13783	2.7
219.17456	24.7
223.16989	13.9
223.18942	2.1
225.16460	4.1
227.17978	7.0
229.15967	8.2
229.19594	6.8
233.15376	3.8
233.18947	4.6
235.16974	13.7
237.18500	8.3
239.17850	3.0
241.19550	6.2
243.21080	3.4
245.15347	6.7
247.16980	52.7
253.19734	3.5
255.21127	5.0
259.20593	2.4
261.18643	2.9
293.22571	2.7
311.23724	5.5
345.86057	2.3
389.32147	10.3
407.33121	30.7
425.34259	23.3
435.32687	19.0
453.33783	16.6
471.24265	2.5
471.35001	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	471.3475
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03943	0.4
55.05507	1.7
56.46374	0.3
56.96555	0.5
57.07080	1.0
67.05511	2.8
69.07063	2.6
69.33301	1.2
69.33716	1.9
79.05489	1.7
81.07063	6.2
83.04986	1.9
83.08617	1.1
88.30305	0.3
91.05463	2.0
93.07055	5.1
95.04977	1.1
95.08047	0.6
95.08619	8.5
95.99599	0.3
97.06538	1.1
97.10165	0.5
97.69127	0.4
105.07042	6.7
107.08601	8.9
109.06493	0.6
109.10165	5.8
111.08086	0.7
117.07048	0.4
119.08591	9.4
121.06509	0.8
121.10149	5.7
123.04444	1.4
123.08070	0.7
123.11736	2.9
125.09661	0.6
129.07028	0.5
131.08577	2.5
133.10135	5.7
135.08066	0.8
135.11713	6.1
136.93114	1.8
136.99965	0.4
137.06052	0.4
137.13255	1.2
139.11218	0.5
141.07025	0.7
143.08557	1.5
145.10158	3.2
147.08092	1.1
147.11711	4.1
149.09659	1.2
149.13284	1.6
153.09093	0.7
154.94179	2.9
155.08597	1.1
157.10147	2.5
159.11711	2.2
161.09618	2.5
161.13304	2.4
163.11215	0.8
163.14795	1.1
165.79024	0.4
169.10104	0.8
171.11737	1.8
172.95296	1.6
173.09595	0.5
173.13290	3.6
175.11275	1.0
175.14845	7.5
177.16437	1.3
179.10686	0.5
182.11034	0.4
183.11702	1.1
185.13289	1.4
187.11212	0.4
187.14847	2.6
189.12724	0.5
189.16399	13.3
189.18117	0.8
191.17923	2.2
197.13252	1.7
199.14871	2.7
201.12807	0.5
201.16415	1.4
205.15866	0.5
207.17511	1.5
210.96843	0.8
211.14928	1.3
213.12737	0.4
213.16414	1.7
215.14340	1.5
215.18011	0.8
217.15903	6.5
225.16374	0.5
227.17967	1.3
228.98003	0.6
229.15919	0.7
229.19507	0.8
231.17412	0.9
235.16965	5.3
243.21104	0.8
245.19109	0.7
253.19484	1.9
257.19125	0.9
261.15015	0.4
263.16290	0.5
267.21088	0.5
271.20572	4.0
273.07324	0.4
275.16562	0.5
283.20642	0.5
285.22299	0.7
289.21634	0.5
299.20374	0.5
317.17899	1.9
317.21265	1.2
389.31711	0.4
407.33121	1.3
425.34198	7.2
425.39407	0.7
435.32590	0.9
453.16992	1.7
453.33640	0.6
471.18185	2.5
471.34741	100.0
472.35159	2.2
494.19659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03932	2.9
55.05507	7.3
57.07068	2.5
65.46631	1.8
67.05504	10.7
67.11100	1.9
69.07066	6.4
71.12109	5.5
79.05508	12.1
81.07065	26.0
83.08620	5.0
91.05489	19.4
91.18329	2.2
93.07055	41.7
94.07383	4.0
95.08610	39.1
97.02870	3.6
99.08090	12.5
103.05481	6.7
104.05746	3.1
105.06388	3.7
105.07043	46.4
107.08598	46.5
108.02374	2.0
109.06559	2.2
109.10169	20.7
111.08086	16.2
117.07031	6.0
119.08591	58.0
121.06516	100.0
121.10145	27.0
122.06845	51.0
123.11729	4.6
129.07124	2.1
131.08568	32.2
133.10149	33.7
135.11705	14.0
137.05997	5.0
139.11205	2.5
143.08539	3.6
145.02859	5.5
145.10135	31.9
147.11702	65.7
149.13272	49.0
157.10138	7.9
159.11682	31.2
161.13252	24.7
163.11247	2.2
163.14856	11.9
171.11720	5.7
173.13261	19.6
175.14845	16.2
177.05487	8.2
177.16417	19.4
179.14320	3.4
183.11545	2.7
185.13295	7.3
187.14827	38.2
189.16409	31.1
191.17975	4.0
197.13257	2.3
199.14810	9.7
201.12584	2.6
201.16400	58.2
203.14366	7.3
203.17992	8.2
205.15903	22.7
207.17500	13.2
213.16428	6.0
215.17947	7.5
217.15854	3.7
219.17500	13.9
225.16348	2.8
227.18013	2.8
229.19627	2.4
233.19063	2.9
239.18013	2.9
249.14949	3.6
295.24216	2.8
349.29007	6.3
353.28583	2.8
367.29984	21.7
389.32114	4.3
395.29193	5.2
407.33127	24.0
410.05542	2.4
413.30508	8.6
425.34201	26.2
435.32492	7.6
441.33701	3.5
453.33719	21.3
471.16257	4.2
471.34842	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	471.3472
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.94814	1.9
53.03937	2.7
55.05506	8.4
57.07050	3.0
63.86134	2.1
65.03937	2.3
67.05511	15.8
69.03442	2.6
69.07073	17.4
69.23991	1.7
69.32745	1.8
69.41280	17.3
69.68129	1.8
79.05492	11.7
81.07059	31.5
83.04981	5.9
83.08616	8.7
85.06557	2.8
91.05459	11.5
93.07039	29.7
95.04968	4.0
95.08609	62.0
97.10153	4.0
99.08154	2.3
105.07030	64.4
107.08603	57.6
109.06551	5.5
109.10154	27.9
111.08076	3.8
117.06971	3.6
119.08585	99.8
121.06506	2.1
121.10151	43.3
123.08020	2.8
123.11715	11.1
125.09684	2.0
131.08601	7.1
133.10130	44.1
133.11063	2.6
135.08063	4.9
135.11699	37.1
137.13306	3.0
139.07585	2.2
143.08531	3.7
145.10130	13.1
147.08046	3.2
147.11697	31.1
149.09685	6.3
149.13271	14.6
153.09071	2.4
157.10190	8.7
159.11705	9.7
161.09651	3.8
161.13257	19.6
163.14801	12.5
165.09061	3.2
166.68408	2.0
171.11719	3.4
173.13280	9.5
175.11182	2.6
175.14828	74.7
177.16362	24.4
183.11772	2.4
185.13321	3.6
187.14784	12.8
189.16379	87.8
191.14319	3.0
191.17947	35.4
193.15932	5.1
199.14861	3.9
201.16479	7.8
203.14348	11.6
203.17969	19.4
205.15932	6.5
205.19627	4.2
207.17442	34.2
209.19041	8.7
213.16389	6.0
215.18060	6.6
217.15927	6.1
217.19540	4.2
219.17490	2.3
221.15367	61.3
221.18846	3.3
225.16533	2.5
227.14447	2.5
227.17976	4.6
227.68361	2.1
229.19534	2.3
231.17555	3.6
233.15393	2.4
233.19034	12.0
235.16936	60.4
241.19647	3.1
245.18994	4.5
249.18623	6.0
253.19443	3.4
257.19025	2.7
267.21130	2.6
271.20615	4.7
273.22150	2.5
317.21051	3.6
329.24789	3.1
331.22644	3.3
389.32104	3.7
407.33066	17.7
425.34137	70.8
435.32632	13.9
453.33569	29.6
471.34784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.57133	5.2
55.05497	16.2
57.07074	8.2
62.59435	5.0
67.05508	23.6
69.07056	20.7
69.42415	38.3
71.04989	5.2
74.76911	4.2
79.05492	16.5
81.07059	52.6
83.04956	7.1
83.08614	15.5
85.02889	5.4
91.05489	23.2
93.07049	42.2
95.05023	5.6
95.08611	67.1
97.06535	5.6
98.21481	11.0
105.07037	45.7
107.08601	65.6
109.06545	6.6
109.10158	51.4
111.08095	5.5
119.08575	73.6
121.10158	51.9
123.08053	8.1
123.11726	12.7
131.08563	13.2
133.10124	47.7
135.08051	9.0
135.11687	39.1
137.13283	6.3
145.10109	22.4
147.11696	32.1
149.13255	21.2
151.07553	6.0
157.10141	8.7
159.11673	21.2
161.09612	6.0
161.13240	23.9
163.03947	5.9
163.11232	8.9
163.14810	19.0
164.19212	4.3
171.11690	11.5
173.13254	18.1
174.66125	4.8
175.11261	9.0
175.14822	43.5
177.12782	6.7
177.16389	29.2
185.13240	6.9
187.14804	34.3
189.12703	5.6
189.16386	46.1
191.17932	14.4
193.15849	6.5
195.33107	4.5
197.13310	6.9
199.14827	15.1
201.16380	17.5
203.14323	10.7
203.17896	19.2
205.15889	17.7
207.17455	20.7
213.16315	5.5
215.17944	9.4
216.17163	5.5
217.15817	6.7
219.17467	6.9
221.15379	27.3
223.16943	22.7
233.15413	7.8
247.16946	8.4
257.18845	4.7
271.20251	5.1
275.19870	6.1
331.66766	5.0
397.31238	5.4
407.33075	27.7
425.34109	56.5
435.32626	16.2
453.33768	57.0
471.35052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
53.03962	0.9
55.05516	3.7
57.07058	0.9
60.75104	0.8
67.05509	5.9
68.57230	0.7
69.03459	1.3
69.07054	6.1
69.90089	1.5
69.90497	2.5
70.07418	0.8
71.04984	1.8
75.01798	0.8
79.05486	3.9
81.07062	13.1
81.36892	0.8
83.04977	1.8
83.08628	4.6
91.05478	4.6
91.47845	0.8
93.07052	13.7
95.04953	1.4
95.08615	21.0
96.55840	0.8
97.06561	1.4
97.10184	1.5
98.20856	1.2
105.07037	13.6
107.08599	20.5
109.06547	2.7
109.10160	13.8
111.08097	2.1
117.07044	2.5
119.08587	20.1
121.06534	2.4
121.10145	17.6
123.08072	2.1
123.11699	5.8
125.09632	1.1
129.07030	1.5
131.08580	6.3
133.10138	16.8
135.08049	4.9
135.11707	10.2
137.09589	1.1
137.13303	2.7
143.08569	3.7
145.10118	9.2
147.08070	1.0
147.11688	13.0
149.09631	2.7
149.13255	5.5
150.96545	0.7
151.11212	1.1
152.09767	0.9
153.09213	1.3
157.10115	4.9
159.08055	1.1
159.11668	8.6
161.09636	2.3
161.13252	9.9
163.07521	1.0
163.11238	1.9
163.14830	5.3
165.12784	2.6
169.10211	1.4
171.11693	4.3
173.13269	7.8
175.11220	2.2
175.14822	7.9
177.16417	4.4
179.14357	0.9
183.10179	0.8
183.11768	2.1
185.13260	5.8
187.11194	1.3
187.14832	9.2
189.12842	1.4
189.16406	14.5
191.14392	1.3
191.18019	3.8
197.13353	1.4
199.14819	4.5
201.12799	1.9
201.16417	6.4
203.14282	5.5
203.17955	5.3
205.15965	2.2
207.17491	6.9
209.13385	0.9
211.14960	2.2
213.16432	3.3
215.14362	1.6
215.18010	2.2
217.15857	4.1
217.19507	1.1
219.13560	0.9
221.15446	1.3
225.16537	1.0
227.18153	2.0
229.15948	0.8
231.17560	1.7
231.57045	0.8
233.15469	1.5
235.16949	15.9
241.19603	1.1
243.21107	1.1
245.15475	2.3
247.16940	1.2
249.14876	2.2
253.19568	2.3
255.21242	1.2
257.22818	1.0
269.19250	1.0
317.21390	0.9
331.22879	2.3
378.35873	0.9
407.33380	4.5
411.32813	1.7
423.32733	2.3
425.34384	8.5
435.32596	7.2
441.33734	1.7
453.34058	17.1
471.34839	100.0
472.35046	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
55.05516	24.0
65.03961	3.7
67.05519	29.1
69.03436	3.7
69.07067	21.2
69.79607	6.2
69.80000	10.3
79.05510	21.2
81.03415	4.3
81.07066	53.9
83.04977	4.0
83.08613	18.4
85.02900	4.8
85.06582	3.0
86.09695	4.2
89.03907	4.3
91.05492	27.0
93.07048	55.6
95.04961	4.2
95.08617	88.7
97.02908	21.2
97.06526	5.9
97.10172	3.4
98.97575	5.9
99.08086	3.8
103.05491	3.9
105.07043	66.2
105.07689	6.1
107.08608	81.2
107.09299	6.4
109.06544	5.9
109.10169	50.6
111.08093	20.1
113.92422	3.4
117.03385	8.7
117.07012	9.8
119.04917	5.4
119.08591	100.0
121.06503	25.7
121.10145	59.2
122.06842	9.3
123.08102	5.4
123.11720	15.1
125.09640	11.4
129.07034	7.7
131.08583	34.5
133.02802	4.7
133.10149	70.5
133.27283	2.9
135.08078	5.5
135.11699	39.0
137.05992	12.8
137.13222	3.7
139.11201	3.7
141.07045	4.3
143.00140	3.0
143.08601	11.1
145.02855	27.6
145.10147	62.7
147.04472	3.9
147.08147	3.9
147.11719	54.3
148.12057	4.1
149.05998	8.0
149.09686	5.1
149.13272	40.9
151.07602	3.6
151.11189	3.0
155.08543	5.7
156.09357	3.4
157.10098	16.6
159.11690	47.2
161.09605	4.1
161.13280	38.4
163.03931	11.4
163.11253	10.1
163.14854	21.3
165.09071	4.1
167.03360	6.1
171.11708	10.9
173.13269	28.2
175.14859	45.9
177.05492	62.7
177.09137	4.9
177.16399	40.0
181.10107	3.6
183.11758	5.0
185.13257	21.6
187.14848	60.4
189.16376	45.1
191.14360	17.7
191.17961	19.2
193.15974	4.7
197.13342	4.6
199.14798	18.9
201.16415	88.9
203.14368	13.9
203.17937	30.1
205.15906	65.0
205.19571	5.3
207.17427	15.3
211.14838	5.2
213.16374	18.8
215.17978	20.5
217.15953	9.3
219.17496	27.7
221.15442	5.3
223.14842	4.1
223.16945	4.0
223.28651	3.5
225.16441	6.5
227.17998	7.9
229.15865	4.9
229.19485	7.7
231.17404	5.9
233.15417	5.9
233.19075	7.5
235.17062	6.1
241.19684	5.6
247.16969	25.1
249.03036	3.9
249.14874	9.3
255.21085	4.4
261.18561	3.7
283.92465	3.3
291.08987	3.7
296.96542	3.5
308.07306	3.3
327.23251	5.9
338.08478	8.7
389.32117	9.7
407.33127	58.1
413.30432	7.9
423.32397	6.7
425.34311	26.7
435.32571	23.0
441.34033	8.7
453.29056	3.6
453.33893	46.2
471.17325	8.3
471.24539	4.4
471.35178	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3475
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05520	12.0
56.96578	2.5
57.03432	9.1
57.07078	4.9
60.06714	1.9
65.91306	2.2
67.05510	22.3
69.03418	2.8
69.07069	13.1
71.04991	4.3
71.57496	3.6
79.05495	19.2
81.07063	38.2
83.05008	5.5
83.08626	8.8
85.02937	2.3
85.06565	3.2
85.10172	2.0
87.73397	1.9
91.05474	21.6
93.07056	40.7
95.05019	3.5
95.08615	58.8
97.02967	2.2
97.06559	3.4
97.10184	5.9
98.98483	8.1
99.08134	5.8
105.07040	34.8
107.08598	50.9
107.09294	3.2
107.15637	2.3
108.07626	2.0
109.06564	3.9
109.10170	32.8
111.08141	3.7
115.05492	2.1
117.07030	6.7
119.08597	53.1
121.06520	4.3
121.10149	42.7
123.08128	6.8
123.11699	16.7
125.09660	6.6
129.07045	2.8
131.08592	17.7
133.06573	3.0
133.10147	40.2
133.11075	3.5
135.08063	3.9
135.11700	33.8
137.00034	8.3
143.08601	7.4
144.09401	2.2
145.10141	32.7
147.08073	5.2
147.11687	23.1
149.09642	2.7
149.13272	14.1
153.63493	2.3
155.01096	6.6
157.10139	11.4
159.11713	24.2
161.09634	6.2
161.13280	22.8
163.03970	7.8
163.07640	2.9
163.11234	2.9
163.14819	13.4
169.08655	2.1
169.10103	3.7
170.10905	2.1
171.11748	7.9
172.12488	2.2
173.13281	22.3
175.11247	4.7
175.14841	22.5
177.12848	4.3
177.16357	13.3
183.11771	2.7
185.13290	8.7
187.14845	29.8
189.12717	2.4
189.16389	32.3
191.14212	2.4
191.17957	22.2
193.15825	3.2
193.34814	2.1
199.14853	11.5
201.12923	3.4
201.16409	28.0
203.14436	5.8
203.17976	25.3
205.15839	11.3
205.19565	3.3
207.10202	4.2
207.13963	2.6
209.32625	2.2
211.03731	2.6
213.16426	8.3
215.18019	10.1
217.15881	11.6
217.19490	4.4
219.17415	11.2
221.11667	2.3
221.15508	3.6
227.18062	4.0
229.19603	4.5
231.17461	4.1
233.15465	3.0
235.16937	5.3
239.17953	3.1
241.19679	2.3
245.15440	2.8
247.16916	4.3
249.14986	7.1
249.18568	3.4
255.21098	2.9
261.15277	2.9
261.18527	4.1
263.16357	14.1
267.20959	3.1
271.20660	2.6
307.16058	6.6
325.17017	4.2
331.22839	3.4
335.25757	3.0
369.89383	2.2
389.32123	6.6
396.25940	2.1
407.33234	22.5
409.34903	3.6
423.32602	3.7
425.34119	22.4
435.32745	13.3
453.33658	55.9
471.24844	7.3
471.34888	100.0
472.35162	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
52.73211	2.5
53.03935	6.7
55.05515	14.2
58.16796	2.3
67.05506	21.8
69.07066	13.3
69.41769	19.9
79.05498	18.9
81.06644	3.7
81.07068	46.3
83.08596	7.2
91.05472	22.9
91.91557	3.0
93.07045	43.7
95.08609	63.3
96.67007	2.6
97.02877	7.2
98.21532	4.7
99.08080	4.7
103.05457	5.2
104.02252	2.8
105.06380	4.3
105.07040	58.9
107.08599	55.6
109.06525	4.5
109.10164	35.8
111.08083	29.4
117.03413	2.9
117.07001	4.5
119.08587	67.6
121.06510	100.0
121.10145	39.1
122.06849	39.0
123.08064	2.9
123.11694	10.7
124.13452	3.0
124.87769	2.7
129.06969	4.5
131.08571	29.7
133.10143	47.9
135.11726	22.8
137.05949	6.2
137.13246	3.5
139.11195	5.2
143.08580	8.3
145.02834	7.2
145.10130	41.2
147.11696	52.8
149.13275	44.3
157.10138	11.2
159.11714	41.7
161.13280	29.1
163.03877	3.3
163.14856	15.6
165.09108	4.7
171.11673	10.3
173.13301	22.3
175.14835	30.6
177.05423	14.8
177.16393	27.8
183.11662	3.3
185.13254	17.5
187.14830	37.6
189.16400	40.3
191.14272	6.7
191.17976	5.6
199.14803	14.3
201.16408	64.8
203.14299	11.6
203.17966	23.0
205.15907	34.6
205.19476	3.9
207.17464	12.2
213.16339	15.7
215.17946	9.5
217.15950	5.9
219.17445	17.3
227.17992	7.4
231.17433	6.1
233.15157	3.8
233.18941	5.2
241.19476	7.1
245.15381	4.3
245.18901	2.6
247.16928	5.6
249.14934	7.5
253.19533	2.8
263.16452	3.7
287.19870	3.4
316.28622	3.0
349.29074	3.5
367.29971	13.9
389.31961	7.6
395.29135	4.3
407.33282	29.4
413.30435	8.8
423.32755	5.3
425.34137	20.3
435.32651	20.3
441.33203	5.4
453.33783	34.8
471.34738	32.9
479.67972	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	471.3474
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
53.03946	3.5
55.05505	9.8
56.96558	5.3
57.03424	3.3
57.07072	8.3
57.35506	2.8
65.03925	4.6
67.05508	23.2
69.03432	9.8
69.07064	18.3
69.36423	26.9
71.04994	7.4
79.05505	18.7
81.03435	3.9
81.07060	49.5
83.04994	6.9
83.08620	9.2
85.02895	11.8
85.06548	4.9
89.03951	8.2
91.05491	26.7
93.07053	49.0
95.04969	5.4
95.08608	58.0
97.02897	34.0
97.06544	5.6
98.21516	6.4
98.97600	12.0
99.08072	9.7
103.05462	4.8
105.07027	38.3
107.04945	4.5
107.07869	4.4
107.08601	68.7
109.06538	5.4
109.10157	28.1
111.04424	3.9
111.08077	8.3
113.44235	4.1
116.98631	5.3
117.03365	17.2
117.07024	6.5
119.04983	5.8
119.08588	56.3
120.80265	3.3
121.06503	8.1
121.10156	51.8
122.97112	3.7
123.04453	3.6
123.08046	6.1
123.11671	15.8
127.04006	5.1
129.06979	7.2
131.08562	20.4
133.10158	35.1
135.04436	8.2
135.11714	24.4
137.05989	10.1
137.09619	9.9
137.13249	5.4
139.11134	4.9
142.07771	5.2
143.08563	12.8
145.02849	46.8
145.04884	3.2
145.10110	35.3
147.04446	6.2
147.08116	3.8
147.11703	37.0
149.06020	8.7
149.13275	14.6
151.07472	5.4
153.12697	3.8
157.10138	20.5
159.07941	3.8
159.11699	38.6
161.09698	5.1
161.13284	24.5
163.03914	21.9
163.11180	3.9
163.14850	14.9
165.09151	14.2
165.12764	5.0
167.03423	4.7
169.10178	8.2
171.11722	16.0
173.13271	26.1
175.11255	5.0
175.14813	12.9
177.05486	100.0
177.16435	11.5
179.14339	7.5
183.11687	18.9
185.13300	13.3
187.14832	24.5
189.12752	4.7
189.16357	21.0
191.14165	3.9
191.17950	7.6
195.11761	4.1
197.13235	10.8
199.14917	16.9
201.12703	5.3
201.16345	24.9
203.10759	4.0
203.18013	8.7
205.15846	8.8
207.06570	5.9
207.17436	7.4
209.13214	7.5
211.14804	8.9
213.16385	11.6
215.17934	6.5
217.15862	5.0
217.19481	3.6
225.16359	4.8
227.18045	7.0
229.19522	7.2
233.15431	4.1
233.19014	4.0
239.17842	5.3
241.15871	3.5
241.19666	4.6
245.08112	5.5
249.02794	6.1
253.19398	6.1
257.18954	3.6
267.21243	8.2
271.20557	6.0
278.12222	3.7
285.22006	8.1
287.05411	4.4
291.08557	4.8
299.20319	5.4
309.09659	4.3
353.28470	7.9
407.28687	3.0
407.33307	29.4
425.29044	4.2
425.34247	55.4
435.32556	11.4
453.34543	28.0
464.15857	3.3
471.29919	11.3
471.34485	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	472.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.3
51.02375	0.5
53.03735	0.2
53.03949	2.2
55.01874	0.3
55.05513	0.2
65.03940	0.4
67.05493	0.2
69.07057	0.2
69.33757	1.4
77.03936	0.7
79.05487	0.9
81.03407	0.4
81.07052	0.5
85.02903	0.3
91.05486	9.8
93.07046	12.3
95.04977	2.9
95.08595	0.6
97.02882	0.3
102.04717	0.2
103.05470	9.8
105.04513	1.3
105.07010	0.6
106.06564	0.4
107.04939	0.2
107.08600	0.4
109.10126	0.3
111.08084	0.2
118.06557	0.2
119.04955	0.9
119.08561	0.6
121.06509	100.0
122.06851	0.6
122.10491	0.2
132.04451	0.3
133.10107	0.4
134.05998	0.4
135.11705	0.2
137.05984	6.2
138.13977	0.2
145.02876	0.3
145.08691	0.2
147.11662	0.5
148.03911	0.2
148.11955	0.2
149.02345	0.4
149.13243	0.3
150.05521	0.4
151.03922	0.5
159.11665	0.4
160.03915	0.3
161.13188	0.2
162.05553	0.3
166.04991	2.8
173.13237	0.2
175.14900	0.4
177.05455	0.5
177.16415	0.3
178.05032	0.6
178.16685	0.2
179.05717	0.2
187.14857	0.2
190.16745	0.3
196.06041	0.6
201.16377	0.4
202.16681	0.2
204.06607	0.9
205.15952	0.4
206.04491	14.3
206.07910	1.6
207.17509	0.2
208.06084	0.3
209.04507	0.2
220.06126	0.3
222.07619	0.6
224.05542	34.0
232.05858	0.2
238.07184	0.4
248.05579	1.5
248.09213	0.4
250.07115	6.6
266.06601	13.8
267.07230	0.2
268.08176	14.6
283.08142	0.3
292.08325	0.3
308.07532	0.2
310.09210	35.8
311.09549	0.5
326.10242	0.4
338.08463	0.2
344.11368	2.0
352.10303	3.8
368.11185	0.4
370.12885	1.8
386.12344	2.6
388.14056	1.3
430.14996	29.3
431.15280	0.5
472.35260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.1
66.93201	0.4
69.22235	3.9
69.40972	0.4
77.91326	0.4
81.07063	0.9
91.05488	20.5
93.07065	0.8
97.02878	0.8
103.05481	0.5
104.35860	0.4
107.54974	0.4
109.06535	1.0
111.04444	0.5
116.71812	0.4
117.03360	0.5
118.03751	0.5
119.04955	12.3
121.02861	1.2
121.06497	2.7
123.00783	0.8
126.75095	0.4
135.04507	0.5
137.05986	100.0
138.06320	0.7
145.02808	0.8
146.03284	0.5
149.02339	2.8
149.05965	0.5
163.03831	0.6
165.05540	0.6
167.03459	1.0
177.05518	1.5
178.05780	1.6
179.07153	0.5
181.04944	2.0
191.03421	1.5
223.06075	3.1
233.48740	0.4
250.07112	0.5
264.08749	1.3
265.07129	0.5
265.23785	0.4
266.10406	1.1
274.94202	0.4
283.08148	0.7
292.08249	0.7
327.32767	0.5
345.09668	1.1
472.15808	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	472.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86854	2.0
53.03962	4.3
55.05513	16.4
57.07072	3.8
65.03947	3.1
67.05511	71.7
69.03424	2.4
69.07071	20.8
69.95342	3.4
69.95722	4.5
71.04998	4.8
79.05495	19.3
81.07065	100.0
83.08627	13.1
85.06560	5.8
88.40230	1.7
91.05492	11.5
93.07050	31.6
95.08620	71.4
95.09235	3.5
96.08967	4.0
97.06541	4.4
97.10175	7.6
99.08072	3.0
99.17091	1.7
105.07043	15.6
107.08600	24.6
108.08965	2.6
109.10159	45.8
111.08086	3.2
113.28931	1.9
117.07121	2.2
117.92199	1.8
119.08585	15.7
120.08910	3.0
121.10149	26.5
122.10461	3.3
123.08031	2.4
123.10538	1.9
123.10868	2.5
123.11722	23.7
131.08600	7.9
132.08937	2.3
133.10156	15.7
135.08063	4.1
135.11717	20.9
137.09622	3.9
137.13255	7.0
139.11212	7.1
140.59015	2.0
141.12730	3.7
145.10149	12.2
147.11687	12.6
149.09653	4.2
149.13237	9.3
151.11211	2.7
157.10201	2.6
158.10464	2.2
159.11729	5.8
161.13332	11.9
163.11200	1.9
163.14789	5.1
165.12744	3.8
172.12061	2.2
173.11746	6.2
173.13290	10.1
175.14862	6.9
176.15280	2.8
176.86099	2.1
177.16420	3.6
179.14357	4.2
187.14836	7.1
188.15230	2.4
189.16371	2.7
190.16739	3.0
191.18083	2.1
195.13811	3.0
205.16115	2.2
209.15329	2.6
215.14273	2.1
223.17000	2.5
228.18440	2.5
243.21092	10.3
261.22180	30.2
279.23212	68.6
297.24167	9.3
401.34091	6.3
408.33560	4.6
419.35272	6.8
426.34488	33.4
436.32834	3.6
437.36200	5.3
454.33963	9.9
472.35019	36.8
473.34729	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	473.1061
Annotation	Tetracenomycin C
Peak:m/z	Relative Intensity
52.74122	2.5
69.78068	10.2
69.78480	3.9
85.02905	5.7
98.97590	5.7
151.95032	2.6
155.01973	3.1
230.55438	2.4
317.07162	3.5
349.33093	2.7
466.31656	2.6
473.10349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	39.6
66.92687	2.2
69.03436	3.8
69.27756	24.9
71.04948	3.0
72.08155	2.5
74.97620	2.2
80.46340	2.1
84.96044	17.0
85.02898	11.7
88.18931	2.4
97.02882	6.6
98.97594	75.0
110.97585	24.2
112.99143	3.8
116.98627	26.1
121.06460	3.2
124.99130	7.0
128.98642	22.4
131.00214	5.8
134.99686	6.4
137.06068	4.5
140.05145	2.2
140.98595	6.0
143.00183	24.8
146.99689	10.4
149.01205	4.3
151.03906	3.8
152.98593	4.9
158.99690	23.0
161.01239	23.2
163.03943	9.0
167.07040	3.1
170.99660	10.8
177.00735	22.8
178.19807	3.1
181.06395	2.8
181.98911	7.7
185.01216	4.9
189.00690	9.9
199.99971	6.9
201.00708	13.5
203.02303	2.4
203.06955	2.8
207.01773	2.9
219.01791	41.8
227.50764	2.4
229.00160	3.0
237.00598	2.0
237.02841	48.1
255.01677	3.6
269.03348	4.9
271.37277	2.3
283.80521	2.5
315.03857	5.1
326.03116	3.7
333.04996	6.6
341.05746	9.7
351.06073	14.2
359.06552	25.9
455.09094	3.0
473.10071	100.0
473.16882	5.3
473.22479	3.7
474.10132	2.8
491.10968	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	473.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.5
56.56820	0.4
57.03439	0.7
69.03431	0.4
70.91415	0.8
84.04506	9.3
84.08147	11.7
85.02909	15.9
85.06583	0.3
85.45555	0.3
86.06065	0.7
87.04458	0.4
91.05481	1.1
93.07049	1.2
95.01332	1.7
95.04954	0.3
97.19601	0.3
98.83257	0.3
102.05553	8.4
103.05467	1.0
112.03979	1.1
113.02358	0.4
121.06514	8.6
123.51227	0.4
130.05008	100.0
130.08647	4.0
150.05516	1.9
164.07074	26.0
164.70816	0.3
166.08669	0.5
190.08604	0.5
270.11230	1.6
276.08643	0.8
293.11389	40.0
293.14920	7.5
294.11572	0.6
302.13831	0.6
333.71582	0.4
392.03348	0.3
399.15314	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	473.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94305	0.8
53.03913	1.0
55.05498	1.4
56.96570	1.2
59.04996	1.2
69.03433	1.2
69.07062	3.5
70.06594	1.5
71.04995	6.9
71.56027	1.3
73.06524	1.5
79.05491	3.3
81.07060	9.6
83.08616	1.4
85.02897	4.1
91.05467	3.6
93.07044	12.1
95.08601	2.9
97.02866	1.7
97.06547	1.7
98.97574	3.3
98.98489	1.4
107.08611	14.3
109.10146	3.3
117.07040	1.3
118.06541	18.0
121.06496	6.7
125.13248	1.4
130.01996	0.9
130.06529	5.1
132.04442	2.9
132.08121	5.2
135.11703	20.7
137.05978	1.3
142.06599	1.6
143.07288	1.7
144.08090	12.5
146.06020	63.8
147.04439	1.3
151.06085	1.4
153.12756	63.9
153.55962	0.9
159.09183	6.8
169.12192	1.3
170.06036	3.6
188.07074	100.0
189.07327	1.3
205.09738	46.4
213.04109	2.0
219.01738	1.4
237.02760	1.6
259.11829	1.4
299.85745	1.0
302.12427	1.7
311.13568	1.0
316.95752	0.9
317.57831	1.0
339.07401	3.4
345.13058	12.6
357.08411	1.8
381.08524	2.5
436.91312	1.1
474.16983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.05527	0.3
56.05033	2.8
57.07080	0.6
64.75139	0.4
67.05510	1.9
69.71145	1.3
69.71584	1.1
72.08144	1.4
77.68913	0.4
84.04511	4.7
84.08147	100.0
85.02903	7.1
85.06531	1.8
85.08479	0.5
86.09711	1.1
87.04458	0.5
91.05472	1.1
93.07054	2.1
95.01327	0.9
98.20834	0.8
98.60289	0.4
102.05540	4.1
103.05469	1.2
111.12328	0.4
121.06512	11.5
130.05011	47.6
130.08649	29.2
150.05550	1.7
161.42400	0.3
164.07076	31.4
165.07838	0.8
166.08670	1.2
190.22429	0.4
206.08170	0.4
248.12865	2.3
255.01956	0.4
270.11224	1.4
276.08795	0.4
277.45413	0.4
279.13297	0.7
293.11331	17.9
293.14926	59.8
294.15378	1.1
344.14795	0.6
399.15207	2.2
399.19672	6.7
448.47681	0.4
473.23230	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	473.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03997	0.4
56.05045	2.7
61.16461	0.4
67.05507	2.1
71.57292	0.5
71.57642	0.5
72.08158	1.2
84.04492	2.5
84.08147	100.0
84.79472	0.4
85.02904	4.5
85.06532	1.3
86.09707	1.2
87.04420	0.4
91.05473	1.7
93.07044	2.6
95.04981	0.9
102.05545	2.2
103.05480	1.4
113.57928	0.4
114.10265	0.6
121.06513	13.9
122.06849	0.7
130.05011	26.2
130.08649	27.9
147.04378	0.4
150.05508	2.0
155.23151	0.5
163.03891	0.9
164.07079	31.6
165.07881	1.1
166.08636	1.0
178.02489	0.5
183.10162	1.5
207.71648	0.4
224.09355	0.7
244.35724	0.4
248.12895	2.7
279.13397	0.8
293.11310	11.0
293.14908	65.4
294.15457	1.1
399.19403	9.2
441.20087	0.6
473.15359	0.5
473.23227	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	473.3628
Annotation	fatsicarpain E
Peak:m/z	Relative Intensity
50.58025	3.1
53.34230	3.3
55.05510	13.2
56.64787	3.0
60.86333	3.4
67.05508	17.4
69.07068	16.9
70.09093	3.7
70.97366	7.6
79.05486	12.4
81.07060	41.3
83.08631	11.4
91.05479	16.6
93.07040	42.5
95.08608	66.7
96.08978	3.1
96.70473	3.1
97.10188	4.3
99.08105	14.5
105.07024	34.3
107.08598	70.3
109.10162	33.0
117.06983	4.5
119.08581	79.2
121.10143	48.5
123.08088	4.2
123.11745	17.8
131.08574	30.8
133.10132	57.0
135.08063	3.9
135.11700	42.2
143.08542	7.7
144.09312	3.6
145.10138	33.9
147.11679	57.9
149.13264	20.2
151.11241	4.0
157.10153	10.1
159.11731	28.8
161.13300	18.3
163.11174	5.2
163.14827	20.1
171.11678	7.4
173.13251	14.9
175.14792	18.5
177.16385	10.7
185.13263	6.4
187.14804	52.7
189.16345	38.8
191.14375	3.3
191.17969	100.0
199.14853	5.1
201.16389	70.7
203.17970	31.1
207.17461	13.0
213.16469	6.5
215.18018	8.4
217.19559	11.6
219.17467	13.3
221.19069	4.0
227.17935	6.8
229.19537	5.8
241.19565	3.9
243.82234	3.4
247.16960	7.7
255.21085	4.4
269.22565	5.3
391.33853	16.0
409.34677	43.7
419.33191	6.4
425.34116	4.9
427.35861	17.8
437.34155	23.4
455.35266	86.0
473.35760	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	473.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
55.05306	3.5
55.05513	39.9
57.03442	4.3
65.29684	3.1
67.05180	3.5
67.05510	54.1
69.07079	41.0
79.05495	36.9
81.07059	94.5
83.05024	4.6
83.08617	25.0
85.06546	8.0
91.05484	32.0
93.07052	49.9
95.05008	4.4
95.08614	100.0
97.06525	11.6
97.10179	11.1
99.08114	4.5
105.07040	36.2
107.08606	37.7
109.06490	6.3
109.10192	20.2
111.08067	6.6
117.07053	4.7
119.08595	42.8
121.10159	30.0
123.08088	8.3
123.11704	5.9
131.08559	7.0
133.10133	38.0
135.11708	34.8
137.13257	11.1
143.08524	4.6
145.10097	10.1
147.11696	12.6
149.13242	14.6
159.11743	8.5
161.13258	69.0
171.11697	5.1
173.13234	8.0
175.14850	4.4
179.14301	12.9
185.13252	5.8
187.14809	3.4
189.16426	7.2
191.17973	6.2
241.19521	5.3
249.18640	4.9
259.20584	19.7
275.19952	4.7
277.21588	38.4
310.64233	3.4
340.25101	3.7
371.60089	4.0
419.33090	4.0
437.34024	11.6
455.34933	36.0
466.12616	3.4
473.35080	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3629
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
54.66734	1.0
55.05520	5.2
57.07076	1.3
67.05504	5.4
69.03463	1.2
69.07066	5.3
69.23897	9.3
79.05479	4.5
81.07066	14.1
83.04997	2.5
83.08644	3.4
85.06557	1.5
91.05488	5.1
93.07046	10.7
95.05005	2.2
95.08615	23.9
97.06557	1.3
97.10199	2.5
100.41029	1.0
105.07036	14.7
107.08599	20.5
107.09274	1.2
109.06537	1.3
109.10171	13.9
111.08135	1.4
117.07031	1.7
119.08593	28.8
121.06538	1.5
121.10152	28.1
123.08112	3.5
123.11725	4.3
125.09657	2.2
131.08562	5.2
133.10143	17.9
133.11099	1.5
135.08131	3.1
135.11702	10.4
137.09721	1.4
137.13322	1.2
139.07544	1.5
139.11253	1.0
143.08545	4.3
145.10132	11.9
147.08109	1.8
147.11703	9.9
149.09680	3.5
149.13284	12.2
149.94685	0.9
151.11273	1.7
155.08578	1.7
156.09372	1.2
157.10153	5.1
158.10948	1.7
159.08110	1.9
159.11728	8.4
161.09669	3.6
161.13278	13.0
161.14452	1.2
163.11150	1.4
163.14891	4.1
169.10226	3.2
171.11722	4.7
172.12535	1.4
173.09663	1.8
173.13258	7.0
175.11314	1.8
175.14848	19.8
175.16257	1.5
177.12830	1.6
177.16493	3.2
183.11729	2.7
185.09695	1.1
185.13368	3.0
187.14848	13.7
189.12805	3.2
189.16389	11.9
191.14447	2.2
191.18068	2.7
193.15883	10.7
197.13332	2.1
199.14812	5.3
201.12820	2.4
201.16461	3.8
203.14386	1.1
203.17996	4.8
207.17525	3.0
209.13297	1.4
211.14867	1.5
213.16447	4.6
215.14349	7.9
215.17940	2.0
217.15993	3.0
219.13985	1.2
221.19006	1.3
223.14870	1.4
225.16437	1.6
227.17990	1.3
229.16054	2.0
231.17506	2.2
233.15469	1.1
239.18147	1.7
241.19624	1.5
245.19003	1.1
247.17010	2.2
249.18648	2.6
251.16293	1.1
253.19577	1.3
257.19189	1.9
265.19705	2.5
283.20667	2.0
291.21149	2.3
305.22769	1.7
331.24054	1.0
384.97708	1.0
401.32361	3.1
409.34732	1.4
419.33209	16.2
437.34244	49.9
438.34769	1.1
455.35382	49.0
473.36536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.363
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
50.32792	2.7
55.05501	4.3
67.05528	6.8
67.46147	2.9
69.07063	12.1
70.65663	2.7
70.81491	8.4
79.05503	5.9
81.07047	19.4
83.08617	4.8
91.05490	6.2
93.07051	18.8
95.04971	2.9
95.08611	43.5
97.10139	4.0
105.07051	24.8
107.08597	36.6
109.10171	25.0
119.08586	30.4
121.10151	23.8
123.11721	7.4
128.51683	2.7
131.08578	5.8
133.10144	33.7
135.11723	22.2
145.10143	12.8
147.11690	21.8
149.13277	18.0
153.09161	3.0
159.11702	13.6
161.13287	14.4
163.11185	5.6
163.14859	15.6
173.13252	7.5
175.14854	18.1
177.16425	28.9
179.14351	3.3
187.14821	21.1
189.16414	51.9
191.17940	11.8
201.16351	11.3
203.17982	88.4
205.15891	55.7
205.19473	9.5
207.17447	24.0
215.17818	4.5
223.16969	3.8
247.16879	4.7
249.18513	12.7
391.33698	6.9
409.34680	100.0
409.40179	5.6
427.35992	5.5
437.28345	3.4
437.34195	25.9
455.35300	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3631
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
51.13449	1.9
55.05513	4.7
62.44522	1.8
67.05510	8.8
69.07066	11.2
71.02761	4.4
79.05489	12.5
81.07053	22.8
83.04992	3.2
83.08624	5.8
91.05479	10.2
93.07056	21.1
95.08614	43.4
97.02852	2.4
97.10181	3.6
105.07042	22.8
107.08598	50.6
107.09289	3.0
109.06464	2.1
109.10164	21.7
111.08145	2.1
117.07001	4.6
117.31843	1.7
119.08582	36.1
121.06505	2.1
121.10149	36.3
121.11597	1.9
123.08086	3.2
123.11723	8.3
131.08586	8.4
133.10146	33.6
135.08057	3.7
135.11710	19.8
137.09721	3.3
137.13260	3.1
140.50937	1.9
145.10129	21.2
147.11719	23.3
149.09631	3.0
149.13269	12.3
151.01610	1.9
151.07462	1.9
153.09192	3.0
157.10156	4.1
158.34544	2.0
159.11679	16.3
161.13243	14.2
163.11197	25.4
163.14835	11.1
171.11732	5.4
173.13249	9.5
175.14839	19.5
177.16394	27.9
179.14336	5.2
179.68741	1.8
183.11732	3.6
185.13306	3.8
187.14828	20.2
189.16397	54.1
191.17979	7.3
199.14919	3.3
201.16391	14.4
203.17958	33.9
205.15881	100.0
205.19598	6.1
207.17459	18.4
213.16368	3.3
215.17969	6.6
217.12463	2.1
217.15982	2.4
235.16910	2.9
247.16995	4.7
249.18541	8.6
295.24191	3.2
313.25299	9.2
391.33603	3.6
409.34766	40.4
427.35727	13.1
430.56854	2.0
437.34238	25.4
455.35431	23.7
473.14023	9.5
473.36560	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	473.3633
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05510	5.2
57.07062	2.2
66.05595	0.7
67.05167	0.8
67.05505	11.2
69.06775	0.7
69.07076	8.6
69.51499	1.4
69.51910	4.3
70.29486	0.6
79.05493	4.4
81.07062	15.2
81.58033	0.6
83.04980	2.0
83.08607	5.3
84.43685	0.8
91.05471	6.2
93.07050	12.0
95.04987	1.0
95.08611	45.6
97.06487	0.8
97.10176	3.4
105.06377	1.2
105.07037	11.2
107.08603	17.5
109.06535	1.1
109.10160	21.7
111.08105	0.8
111.11712	1.1
111.97812	0.6
117.06993	1.5
119.08581	15.3
121.06523	3.3
121.10133	12.3
123.08060	1.7
123.11720	8.4
125.09640	0.8
129.07016	0.9
131.08585	4.2
133.10141	13.2
135.08049	1.9
135.11690	8.9
137.09669	0.9
137.13271	4.7
139.07552	4.7
142.07806	0.9
143.08548	1.9
145.10127	7.4
147.08012	1.6
147.11694	7.9
149.09602	2.1
149.13264	8.3
151.07559	1.5
151.14815	1.6
153.09128	3.0
155.08527	0.8
157.10123	3.7
159.08049	0.9
159.11673	6.5
161.09608	2.3
161.13272	6.4
163.07571	0.7
163.11090	1.5
163.14838	6.6
165.09122	2.3
167.10855	0.7
169.10149	1.7
171.11652	4.6
171.35078	0.6
173.09557	0.7
173.13290	5.9
175.11171	2.3
175.14844	9.5
177.05528	0.9
177.09123	0.8
177.12749	1.2
177.16405	3.4
183.11647	1.9
185.13275	3.1
187.11191	1.6
187.14825	5.1
189.12733	2.0
189.16359	6.2
191.10797	0.7
191.17897	1.6
197.13297	2.5
199.14807	3.0
201.12686	1.4
201.16400	5.1
203.10635	1.6
203.14281	1.6
203.17984	3.7
205.12270	1.1
205.15872	1.0
207.13843	0.7
207.17439	2.1
209.13269	1.0
211.14795	1.8
213.16321	2.2
215.14384	0.8
215.18015	2.3
217.12323	0.7
217.15910	2.4
217.19542	2.1
219.13759	1.3
219.17540	0.8
221.15399	1.6
223.14890	0.9
225.16393	1.8
227.17853	1.5
229.15791	1.5
229.19536	1.9
235.16899	1.8
239.17909	1.7
241.19498	2.0
243.13916	0.8
243.17438	1.4
243.21063	0.9
249.18535	1.3
253.19467	1.4
255.21072	1.9
259.20523	1.9
267.21094	1.7
271.16989	1.0
271.20602	2.7
273.22125	0.8
281.22549	1.0
283.20587	1.5
285.18546	1.2
285.22034	1.0
287.19986	1.4
295.24277	0.9
299.20404	3.3
299.23413	1.1
301.21634	2.8
303.23163	0.8
323.23660	1.3
327.23114	1.8
341.24789	2.6
355.26257	0.8
359.25952	1.7
385.27621	1.0
391.33524	3.0
407.32837	1.2
409.34698	12.9
419.33173	3.8
425.33990	1.9
427.30106	0.9
427.35742	12.4
437.34143	15.1
455.35233	100.0
456.35742	1.5
473.36313	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	473.3631
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05505	2.5
55.75809	0.6
56.42556	0.5
57.07071	1.0
62.23510	0.6
65.03950	0.6
67.05509	3.0
68.10040	0.5
69.07076	4.1
70.84405	1.4
76.77527	0.6
79.05490	2.7
81.07059	9.4
83.04980	0.8
83.08611	2.4
85.02905	0.7
85.27963	0.6
88.01412	0.6
91.05482	3.2
93.07043	9.0
95.08609	12.6
97.10139	0.7
100.92266	0.6
105.07050	6.6
107.08598	13.2
108.74157	0.6
109.06515	1.2
109.10162	8.2
111.08105	1.5
117.07037	1.3
119.08599	13.9
119.09408	0.5
121.06538	1.1
121.10155	8.6
123.08083	3.3
123.11685	3.9
130.05022	1.0
131.08614	3.5
133.10149	11.3
135.08090	0.8
135.11702	11.2
137.09572	0.6
137.13260	1.1
143.08603	1.2
145.10124	6.5
147.11696	10.4
149.13269	4.8
151.11159	1.4
154.28384	0.6
157.10199	1.5
159.11714	6.9
161.13287	6.6
163.14827	5.0
167.10747	0.6
171.11717	1.6
173.13292	3.5
175.14847	5.5
175.50218	0.6
177.16458	3.0
185.13234	1.3
187.14856	7.1
189.16403	13.2
191.17969	2.2
199.14873	2.5
201.16406	17.7
203.17966	9.8
205.15913	6.5
207.17451	14.9
213.16425	2.1
215.17986	5.2
217.19571	2.0
219.17419	1.8
221.15446	0.7
221.19012	1.3
229.19572	2.6
241.19548	1.7
243.21146	2.1
247.16901	7.1
249.18517	0.8
255.21101	5.5
257.22714	2.3
269.22705	2.5
273.22641	0.8
275.20291	0.6
287.19977	0.7
289.21719	1.0
295.24277	0.7
301.21622	2.5
303.23145	1.7
315.23071	1.0
324.95581	0.6
331.26273	4.8
357.27817	4.5
363.68088	0.7
391.33582	2.4
409.34689	5.7
419.33209	0.8
427.35757	100.0
428.36182	1.3
437.34293	7.3
455.35284	4.3
464.25409	0.7
473.19809	1.2
473.36389	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	473.363
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
53.03968	2.1
53.74282	1.8
54.84162	2.0
55.05515	7.7
57.07061	2.2
67.05503	10.0
69.07069	15.8
71.02898	4.6
71.08631	2.6
79.05484	14.0
81.07060	34.0
82.28683	1.9
83.08617	8.1
85.06525	2.0
89.68743	1.9
91.05478	16.4
91.73186	1.8
93.07038	30.5
95.04955	4.0
95.08607	61.6
97.02895	2.7
97.10168	4.8
99.08095	19.6
103.05520	2.8
104.57520	2.0
104.96852	1.9
105.07037	34.8
107.08598	51.5
109.10159	29.2
111.11694	2.1
117.07022	6.0
119.08581	55.5
121.06546	9.5
121.10146	41.2
123.11726	17.9
131.08578	30.7
133.10135	50.9
135.11693	36.5
137.05989	2.7
137.09604	4.1
137.13246	2.7
143.08560	2.6
145.02885	2.9
145.10117	33.9
145.11165	3.4
147.11697	43.6
149.13242	16.1
151.11157	6.3
157.10205	5.1
158.10913	2.2
159.11713	29.7
161.13275	22.1
163.14818	18.4
165.09126	15.9
171.11768	5.4
173.13280	16.6
175.14844	15.3
177.05455	2.6
177.16397	7.4
179.14363	6.2
185.13307	5.7
187.14835	50.4
187.16435	3.3
189.16377	24.1
191.17947	100.0
197.13278	2.5
199.14848	5.6
201.16382	65.5
203.17987	27.8
205.19623	3.3
207.17426	6.6
213.16417	4.5
215.17972	7.6
217.19537	12.9
219.17432	15.6
227.18001	5.7
229.19533	4.7
247.16945	5.2
255.20998	2.4
265.18021	3.7
269.22778	2.0
274.82230	2.1
295.24326	2.8
391.33575	8.6
409.34619	50.1
427.35953	10.1
437.34500	18.3
455.35449	67.4
473.13959	4.0
473.32108	2.7
473.36841	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3629
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
53.71335	1.7
55.05514	22.8
57.03451	1.9
57.07070	3.7
67.05511	18.8
69.03428	1.8
69.07074	16.9
70.80944	4.6
71.05029	1.6
73.51611	1.4
79.05506	13.8
81.07063	33.0
83.04968	4.4
83.08635	20.4
85.06565	2.1
85.88332	1.5
91.05481	13.9
93.07054	40.6
95.08611	83.1
97.06506	2.0
97.10180	6.1
99.08108	1.8
105.07040	28.8
107.08601	65.0
109.06513	3.3
109.10161	52.5
111.08105	2.2
111.11729	3.2
117.07002	5.2
119.08588	99.6
121.06485	2.3
121.10153	61.9
121.11037	3.1
121.27544	1.6
123.08087	3.7
123.11719	19.5
130.04993	3.3
131.08559	16.1
133.10136	47.4
135.08041	10.2
135.11703	44.1
137.13251	7.4
143.08539	3.9
145.10121	31.0
147.11699	27.7
147.39732	1.8
149.09674	2.6
149.13272	22.3
151.07576	2.7
151.11206	2.4
157.10130	4.7
159.08109	3.1
159.11703	28.7
161.13255	28.7
163.07561	11.6
163.11148	3.4
163.14848	29.6
165.09171	3.1
165.12759	1.8
171.11668	5.4
173.09619	2.7
173.13246	18.6
175.11238	1.7
175.14812	15.7
177.09103	4.8
177.12759	3.1
177.16428	13.1
179.14308	3.9
185.13196	7.6
187.14832	45.4
189.12784	2.3
189.16388	28.8
191.14336	4.9
191.17963	100.0
192.18541	1.8
199.14828	7.0
201.16386	36.2
203.17990	43.2
205.15872	13.7
205.19508	7.9
207.13799	2.6
207.17438	2.6
210.15295	1.7
213.16399	6.1
215.14323	2.7
215.17989	6.8
217.19519	15.8
219.17462	17.4
221.19118	2.6
227.17984	4.0
229.15892	4.0
229.19566	7.7
231.21062	5.1
233.15369	12.8
233.19040	2.2
245.15358	3.0
247.16980	22.1
247.19725	1.8
247.20557	2.1
251.16351	7.7
265.18005	19.8
291.19461	2.6
391.33493	9.4
409.34677	99.9
427.35837	26.9
437.29288	1.6
437.34250	14.7
455.35327	50.9
473.36295	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	473.3632
Annotation	Sumaresinol
Peak:m/z	Relative Intensity
53.03942	1.7
55.05514	4.9
57.07081	3.2
65.73530	1.4
67.05502	12.0
69.07069	10.8
71.09253	2.3
79.05495	8.4
81.07063	25.6
83.04989	3.8
83.08622	5.4
91.05487	10.8
92.11666	1.5
93.07046	22.1
95.04967	3.7
95.08612	41.2
97.02872	1.6
97.06522	3.6
97.10188	2.2
99.08128	3.6
105.07029	23.2
107.07875	2.0
107.08599	35.2
109.06500	3.2
109.10164	24.5
109.10839	2.3
111.08107	2.6
111.11845	1.5
117.07013	3.2
119.08588	31.2
121.06533	3.0
121.10148	28.6
123.08086	2.9
123.11728	11.0
125.09628	2.2
129.07022	2.1
131.08582	9.3
133.10135	30.1
135.08080	4.4
135.11687	22.7
137.05984	2.3
137.09637	2.8
137.13245	2.3
139.11162	1.8
143.08565	5.6
145.10127	18.1
147.08063	2.6
147.11705	20.8
149.09651	3.4
149.13266	15.6
151.11232	1.8
155.08568	2.1
157.10162	8.8
159.11697	12.5
161.09636	4.4
161.13268	16.2
163.03946	1.9
163.11186	6.5
163.14789	9.0
165.09129	2.6
169.10158	2.5
171.11682	7.4
172.12212	1.6
173.09605	2.5
173.13275	13.6
175.11276	3.4
175.14828	18.0
177.12758	2.0
177.16368	14.5
179.14371	4.1
183.11664	2.7
185.13254	5.6
187.11160	2.4
187.14839	15.3
189.12694	3.3
189.16373	35.0
189.24843	1.3
191.14348	2.3
191.17944	6.4
195.11731	1.9
197.13231	2.1
199.14856	5.2
201.12889	1.4
201.16377	13.9
203.14330	2.5
203.17963	20.9
205.15871	21.9
205.19612	1.6
207.17444	23.1
211.14807	2.6
213.16344	6.2
214.16974	1.7
215.17923	5.0
217.15906	5.2
217.19444	3.0
219.17456	2.4
221.15361	2.6
223.16873	1.9
225.16699	1.7
227.18039	3.3
229.15884	3.8
229.19527	2.4
231.17467	2.1
231.21053	2.0
233.15118	1.6
235.16911	5.1
239.18022	1.6
247.16983	4.6
249.18579	4.8
255.21173	3.2
295.24216	2.0
301.21710	1.8
331.25977	1.6
357.27814	2.3
373.27267	2.6
391.33630	1.9
394.28384	1.5
409.34982	13.0
425.34079	4.8
427.35742	32.6
429.72275	1.6
437.34518	16.5
455.35416	100.0
473.36911	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3629
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
52.46006	1.7
55.05501	4.8
67.05502	6.3
69.07073	7.1
69.51830	10.1
79.05483	5.9
81.07059	9.2
83.08614	3.8
91.05490	4.1
93.07064	12.3
95.08604	27.3
97.32476	2.1
105.07037	12.9
107.08601	36.5
109.10174	15.6
119.08589	21.6
121.10143	23.1
123.08068	1.8
123.11720	3.8
124.79346	1.8
130.93581	2.0
131.08611	2.9
133.10139	21.3
135.11671	12.3
145.10149	12.1
147.11716	13.1
149.13283	7.0
159.11702	8.5
161.13309	11.4
161.14420	2.1
163.11200	15.9
163.14810	5.5
169.85637	1.9
173.13263	6.1
175.14854	13.3
177.16397	22.3
179.14204	2.5
187.14827	16.2
189.16388	49.8
191.17923	5.1
199.14835	2.1
201.16460	5.7
203.17961	28.3
205.15895	100.0
205.19318	4.0
207.17424	19.1
215.18018	2.4
223.16855	3.0
229.19640	2.1
231.17535	2.1
247.17029	2.0
249.18590	8.3
261.36487	1.8
285.25711	2.5
295.24292	4.6
303.93729	2.0
313.25244	8.0
326.27795	2.1
391.33429	4.9
409.34692	39.6
410.34753	2.4
427.35745	4.1
437.33987	17.3
455.35336	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3631
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05504	6.1
57.07077	2.8
58.35443	1.7
67.05504	5.1
69.07076	8.6
71.07774	2.4
71.08114	3.1
73.43793	1.6
79.05490	6.5
81.07063	13.5
83.08632	4.6
91.05489	4.5
93.07053	10.6
94.08776	1.7
95.08614	33.4
103.80950	1.7
105.07034	16.3
107.08611	37.5
109.10162	17.6
117.07055	2.4
119.08590	31.8
121.10155	28.6
123.11721	4.1
131.08560	5.2
133.10141	22.0
135.08046	2.2
135.11678	12.8
137.09537	2.2
145.10164	16.3
147.11681	17.1
149.09596	2.2
149.13239	7.3
153.09048	2.4
159.11700	15.6
161.13303	11.4
163.11177	14.3
163.14815	7.1
171.11668	1.9
173.13271	4.3
175.14825	16.2
177.12808	2.1
177.16393	17.7
179.10683	1.9
187.14851	35.9
189.16399	51.4
191.17868	5.0
201.16408	3.0
203.17975	52.5
205.15895	100.0
205.19450	7.8
207.17415	12.8
213.16400	5.1
223.16995	3.0
235.16852	2.9
249.18509	15.3
294.43878	2.0
313.25244	3.7
391.33719	2.8
409.34695	27.1
437.34174	28.0
455.35126	7.3
463.72998	1.9
473.35266	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	473.3631
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
53.03933	4.4
53.11683	1.9
55.05510	14.5
56.96569	2.2
57.07071	2.6
61.02914	2.3
64.84233	1.5
65.04487	1.4
67.05228	2.0
67.05508	21.9
67.39046	1.8
69.07067	16.2
69.45842	3.9
69.46246	10.0
72.91073	1.4
79.05479	13.6
81.03419	2.5
81.07057	31.6
83.04979	3.4
83.08621	12.0
85.02898	3.5
85.06546	2.9
91.05471	17.7
93.07043	37.7
95.04976	2.4
95.08609	71.2
95.09222	3.8
97.06607	1.6
97.10180	4.3
98.97590	2.0
105.07033	34.3
107.08598	55.5
109.06513	5.3
109.10152	35.4
111.08086	2.4
111.11706	1.8
115.05415	1.9
117.06995	6.6
117.77632	1.7
119.08585	69.5
119.09447	3.4
121.06493	4.3
121.09314	3.4
121.10140	47.8
123.08076	3.6
123.11701	14.5
125.09651	2.0
130.05043	9.3
131.08569	22.7
133.10136	49.7
135.08026	3.6
135.11693	29.3
137.13234	3.6
143.08530	4.2
144.09314	1.9
145.06459	2.6
145.09032	3.6
145.10115	44.1
147.11676	31.8
149.05963	2.0
149.12366	1.6
149.13286	17.6
151.07526	2.6
151.11169	7.0
153.09206	2.1
157.10092	7.4
159.08041	2.7
159.11711	29.9
161.13263	22.1
163.03873	2.2
163.07518	5.3
163.14819	23.4
164.07062	4.5
171.11688	3.8
171.64691	1.6
173.09608	3.5
173.13300	19.7
175.14844	17.9
177.09116	5.5
177.16359	10.0
179.14253	5.5
185.13240	4.5
187.14839	35.5
189.16405	27.9
191.10710	5.2
191.17957	100.0
193.12175	1.8
193.15868	2.2
199.14832	7.0
201.16382	81.3
201.18269	3.9
203.17967	40.5
205.12173	2.6
205.15907	2.1
205.19540	4.2
207.17413	6.8
213.16370	5.4
215.14339	3.5
215.17964	11.5
217.19487	7.4
219.13942	2.5
219.17419	21.5
221.15337	2.5
221.19019	2.9
227.17918	5.4
229.15872	5.8
229.19461	12.2
233.15207	3.9
241.07439	2.0
241.19582	4.1
243.21161	2.1
245.15489	3.3
247.16931	43.5
247.20740	2.0
255.21037	3.2
259.08524	2.5
259.16818	1.9
261.18524	4.0
265.18021	6.9
267.09003	4.0
269.22485	2.9
275.19989	3.7
285.10001	4.3
287.20087	3.2
335.26031	1.8
391.33664	11.3
409.29553	2.7
409.34677	30.8
411.36523	2.9
427.35886	10.8
437.34152	23.0
455.35449	32.1
461.75760	1.5
473.28973	3.7
473.35938	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	473.3632
Annotation	Sumaresinol
Peak:m/z	Relative Intensity
53.03948	3.1
55.05508	14.1
57.07076	4.0
67.05508	28.7
69.07078	21.2
69.07385	4.3
70.06576	2.5
71.56425	3.1
71.57955	4.1
79.05491	22.8
81.07063	62.4
83.04969	3.9
83.08620	11.4
84.08108	3.6
85.02866	6.6
86.09755	2.8
91.05467	25.5
93.07049	50.8
95.04946	3.8
95.08611	91.1
97.10184	6.0
99.08044	3.7
105.07031	50.4
107.08594	69.1
109.10161	49.4
111.08113	5.6
117.07013	5.5
119.08586	100.0
121.06522	20.2
121.10143	55.2
122.10507	2.7
123.11740	22.5
125.09629	4.0
127.44033	2.5
130.04163	2.6
130.04961	14.1
131.08612	16.9
133.10149	45.7
135.11702	49.2
137.13240	5.7
143.08551	4.2
145.10130	43.1
147.04349	5.7
147.11702	31.9
149.09657	3.6
149.13266	23.5
157.10095	8.4
159.11684	27.7
161.09575	3.0
161.13271	38.7
163.14821	40.1
164.07079	5.9
165.12788	4.7
171.11720	4.2
173.13263	24.1
175.14856	28.1
177.12769	3.7
177.16391	15.7
179.14310	8.5
185.11716	3.8
185.13168	4.5
187.14839	31.8
189.16394	41.3
191.14305	5.7
191.16216	3.2
191.17960	65.8
199.14842	5.9
201.16412	34.4
203.14351	4.0
203.17931	37.8
205.12054	3.1
205.15862	11.2
205.19511	4.4
207.17506	6.9
215.17993	6.4
217.15871	3.2
217.19481	23.2
219.13951	5.0
219.17569	15.2
219.21051	4.2
221.18886	6.2
229.19502	7.3
231.17506	4.1
231.21100	5.0
233.18971	5.6
245.22635	6.2
247.16994	8.9
251.16461	3.3
265.17886	12.9
293.11288	7.2
379.33685	3.3
391.33450	7.2
397.34677	23.1
409.34717	44.4
427.35971	32.0
437.34061	7.5
455.35306	76.8
473.36163	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	474.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37961	0.5
63.94927	0.4
64.01655	0.3
69.23457	0.8
69.23865	3.0
70.06579	0.4
74.26041	0.4
87.04489	0.5
91.05507	0.6
91.42419	0.4
98.21505	0.9
109.81874	0.4
120.04454	0.5
123.04420	1.1
137.05988	1.3
146.05914	0.4
147.04506	0.6
152.07077	0.6
162.05481	0.7
163.03908	0.8
164.07079	5.1
165.06981	0.9
165.61636	0.4
167.07210	0.4
180.06563	1.5
182.08174	0.5
190.04987	0.9
192.06522	0.6
192.08101	0.7
197.06126	0.5
204.06577	0.6
204.08287	0.5
206.08221	0.8
208.05940	0.4
208.09669	6.3
210.09171	0.5
211.07568	0.7
220.07640	1.3
220.09628	0.7
222.07462	0.4
222.09378	0.8
224.07179	0.8
224.09180	1.9
225.07925	0.5
234.07585	1.2
236.07050	1.1
237.07736	0.4
238.08626	2.0
239.07013	1.1
239.09293	0.4
248.07027	1.4
249.07956	1.2
250.08635	1.3
252.06435	1.4
252.08752	2.8
254.04649	0.7
254.08105	1.5
256.09766	0.6
264.06586	1.1
265.07474	0.5
266.08142	3.0
266.11813	0.8
267.06458	0.9
268.06055	0.6
268.09601	0.8
269.10544	0.5
270.07718	1.1
270.11273	0.5
276.06686	0.9
280.06409	0.5
280.09689	1.1
282.07623	1.0
282.11288	1.6
283.08524	1.0
283.12042	0.8
284.09128	1.2
284.12469	0.8
285.10022	1.0
292.06091	0.5
292.09674	0.5
293.06888	0.8
294.07663	3.1
294.11142	1.0
295.08548	0.5
296.09052	2.8
297.09921	0.6
298.07190	1.5
298.10788	5.6
299.11469	0.8
300.12115	0.5
301.09537	0.6
308.09210	1.1
310.07245	0.7
310.10614	3.5
311.08054	0.9
311.11462	0.9
312.08682	1.4
312.12381	2.4
313.09521	1.4
314.10202	4.1
320.08771	0.7
321.09726	0.5
324.12247	0.5
326.10287	3.6
327.11075	1.2
328.11682	4.2
329.12830	0.7
338.10355	3.6
342.09772	1.2
342.13525	1.8
344.11545	0.9
352.11914	0.6
355.10611	1.2
356.11258	6.6
370.12863	3.6
371.13846	0.5
386.12265	2.4
388.14026	0.5
414.12094	0.8
430.15094	1.4
446.14493	11.8
474.13992	100.0
475.14264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81040	0.3
68.33015	0.2
70.06570	0.3
70.75452	0.8
72.08120	0.3
84.08112	1.0
85.02918	1.6
91.05459	1.7
98.97610	0.3
112.11225	1.1
119.04913	0.5
120.08122	0.4
121.06515	1.6
122.05964	0.3
127.24257	0.3
130.04904	0.3
137.05981	2.0
145.15308	0.3
149.08299	0.3
162.05495	0.3
164.07079	16.1
166.05066	1.4
178.05009	0.8
180.06570	0.4
181.07384	0.5
190.04915	0.4
192.06595	1.2
194.08195	0.6
204.06598	0.3
206.08138	0.8
207.08928	3.3
208.09705	100.0
209.10049	0.9
220.09814	0.3
222.07637	5.2
224.09103	0.6
232.06017	0.4
234.07646	0.9
236.09174	2.9
238.10707	0.6
239.07874	1.1
248.09169	0.5
250.07184	0.7
252.08681	0.4
262.07098	0.3
264.08615	1.2
266.10272	2.1
267.11096	1.3
268.08154	0.4
276.08670	0.8
280.07864	0.4
282.09747	0.8
292.08047	0.3
294.09738	4.3
296.07666	0.6
296.11179	0.6
322.09329	0.4
324.10907	0.6
326.12424	2.2
336.10565	0.4
354.11853	0.9
356.13321	0.7
375.66562	0.6
382.11398	1.0
383.66467	0.7
414.13989	7.1
474.16129	59.9
475.16614	1.1
487.07724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96508	0.4
57.45610	0.3
59.31085	0.3
69.58513	1.1
69.58924	0.7
72.08086	0.2
79.05397	0.3
81.03342	0.5
83.04961	0.3
83.06058	0.5
85.02809	1.0
86.09649	0.3
88.27934	0.2
97.02866	0.5
98.20756	0.5
98.97495	0.7
104.04917	0.4
105.03316	0.6
106.06505	0.4
111.05571	3.4
120.04467	2.4
122.65583	0.2
123.05450	1.1
125.05833	0.3
126.06680	1.5
131.04887	0.4
132.04462	22.2
132.05391	1.1
133.05164	0.4
134.06010	4.9
137.04573	1.7
137.05658	0.4
145.02765	0.3
146.02289	0.3
151.06157	9.3
152.04477	0.3
163.03789	0.6
166.07214	0.3
175.08607	0.3
177.04001	0.4
177.05429	0.4
180.06216	1.1
189.46330	0.2
194.06754	4.4
195.07413	1.1
202.09726	1.4
206.06761	0.3
214.09679	0.4
215.08098	0.4
216.11333	0.5
219.01709	0.3
230.09315	1.7
232.10753	0.5
242.09256	4.6
255.08740	0.3
257.10324	4.6
258.08710	0.7
259.11920	10.1
274.13071	0.3
275.10211	0.3
284.08389	0.5
284.11420	6.4
302.12482	13.6
317.08276	0.3
327.11993	3.3
345.13074	100.0
346.13354	1.7
447.83441	0.3
456.16550	1.0
474.17352	16.6
475.17575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57571	0.4
53.03943	0.8
57.03447	3.0
57.88791	0.4
69.73345	2.4
71.01357	1.3
71.73670	0.4
85.02912	54.9
91.05496	2.5
91.58226	0.4
92.19453	0.4
93.07053	2.9
95.01305	0.6
95.04996	0.5
98.20839	0.8
101.21656	0.4
103.03976	0.8
103.05490	2.3
104.04994	1.4
105.05834	0.4
110.06093	0.5
113.02390	0.6
120.08129	2.8
121.06516	18.5
122.06065	1.7
131.03413	4.4
132.04471	4.0
134.06059	0.5
150.05528	8.2
164.07082	78.5
165.07596	0.9
166.08614	0.6
280.08185	4.9
294.09735	100.0
295.10184	1.8
354.11685	0.5
400.13937	17.9
401.14175	0.5
432.16483	1.2
470.30820	0.5
474.17654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1762
Annotation	CHEBI:68270
Peak:m/z	Relative Intensity
51.52013	0.2
53.03923	0.5
66.15267	0.2
66.50204	0.2
69.49712	0.7
69.50130	1.3
79.05499	0.3
81.03407	0.3
91.05489	1.9
93.05799	0.3
93.07043	2.1
95.03221	0.3
95.04961	0.6
101.65182	0.3
103.05492	1.7
106.82471	0.2
107.07307	0.4
120.04442	0.6
121.06510	16.2
122.06817	0.3
122.13216	0.3
134.17940	0.2
136.07602	0.4
137.05945	0.3
138.05428	0.4
138.32283	0.2
146.06000	0.3
147.03085	0.4
148.03908	1.1
151.06230	1.1
152.07066	2.0
154.25986	0.3
164.07005	0.9
165.09126	0.6
166.04982	0.9
180.06563	19.8
194.07889	0.2
206.08057	1.3
207.08917	0.8
223.08398	0.9
224.09155	0.9
236.09196	0.7
236.71338	0.2
238.07103	10.8
250.10637	0.7
252.08679	100.0
253.08954	1.1
266.10120	0.8
280.08185	3.5
294.09726	80.2
295.09946	1.3
358.12729	0.8
382.82468	0.3
400.13913	12.0
432.16489	0.8
443.13260	0.6
474.18039	0.6
475.15771	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	474.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01856	0.4
62.13686	0.3
64.70804	0.3
69.54685	1.5
73.02930	3.0
76.69901	0.3
80.27890	0.3
81.07033	0.6
85.02883	0.6
91.05491	1.7
93.07036	2.0
95.04932	0.6
96.18987	0.3
103.05467	2.0
107.07316	0.9
109.28905	0.3
120.50531	0.3
121.06514	12.9
130.06551	0.3
136.07561	0.9
146.06020	0.4
148.03954	0.9
151.06284	0.5
152.07034	1.5
164.07025	1.6
166.05022	1.0
180.06572	14.0
188.06979	0.4
192.06564	0.5
193.07292	0.3
198.07713	0.4
206.08110	0.4
223.08411	1.2
224.09322	1.5
234.07593	0.7
236.09195	1.4
238.07133	9.5
248.09285	0.3
250.06946	0.4
250.10770	0.9
252.08687	100.0
253.09061	0.6
266.10278	0.9
280.08176	3.7
294.09738	84.7
295.09982	1.1
341.32715	0.4
358.12723	0.7
400.13947	11.6
415.13605	0.8
432.16821	0.7
443.13248	1.2
474.17908	1.5
474.23959	0.4
475.15686	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01850	0.5
55.05501	1.5
57.03430	0.8
64.52516	0.5
65.03931	0.6
65.37946	0.5
65.99089	0.5
67.05499	1.2
70.45403	1.8
72.08129	0.8
74.59950	0.5
84.08158	0.8
85.02911	7.6
85.06554	1.1
91.05505	4.0
93.07056	5.3
95.04968	1.6
95.10929	0.5
97.02919	0.5
103.05481	4.0
104.10706	0.6
107.08578	1.1
112.11244	0.6
114.09171	1.7
114.10315	0.9
120.04507	0.6
120.08162	0.6
121.06510	22.2
130.05014	2.5
130.06555	0.5
132.04466	0.6
135.08066	4.7
146.06023	1.7
148.03976	0.6
150.05492	1.0
151.06274	1.2
152.07100	1.7
153.05545	0.5
158.06042	0.7
164.07079	13.8
166.04930	1.2
176.06985	0.5
178.08629	2.9
180.06572	18.8
191.14308	4.2
204.06621	0.8
206.08089	1.5
222.07832	0.5
223.08357	0.8
224.09163	1.4
234.07495	0.6
238.07138	10.3
248.12852	0.8
252.08684	100.0
253.08943	0.7
266.10217	0.8
276.15970	1.4
278.17606	3.7
280.08118	4.8
293.11279	0.6
294.09723	91.4
295.10202	1.1
304.15396	0.5
322.16473	4.9
400.13885	13.0
474.17490	0.7
474.24774	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	474.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.4
62.06097	0.6
64.78792	0.4
69.03428	1.8
70.06599	0.9
71.04977	0.8
72.08164	0.6
84.08139	0.6
85.02911	2.3
86.09719	0.6
87.04472	42.4
89.10733	0.4
91.05491	0.9
93.07047	0.5
95.04986	1.1
97.02934	0.7
98.97569	0.6
104.04978	0.4
107.08600	0.4
111.04471	0.4
120.08112	1.5
121.06503	1.2
121.80984	0.4
122.06050	0.7
127.03873	0.4
132.04462	1.1
149.06004	0.8
150.05519	6.5
163.03992	1.1
164.07077	58.1
165.07498	1.1
182.08134	2.3
205.08617	1.1
206.08229	0.9
208.09706	0.5
210.83682	0.4
213.09952	1.2
220.09853	0.4
234.07669	1.4
236.09187	5.9
250.10760	100.0
251.11250	2.3
252.11440	0.6
294.13202	0.9
312.14441	9.2
400.16022	3.4
432.18750	1.4
442.16959	4.0
474.15149	0.7
474.19711	4.0
475.17795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.9
53.03941	2.0
54.98701	0.7
55.01871	0.7
55.05519	1.2
58.47462	0.6
62.29381	0.6
67.05508	1.5
69.03430	0.8
69.07066	1.9
71.58909	0.7
73.02928	0.6
73.06551	0.9
74.17519	0.7
79.05502	2.1
81.03442	0.9
81.07063	2.9
84.08170	0.7
86.09733	0.7
91.05490	6.0
93.07056	10.7
94.07390	0.9
95.04975	2.9
95.08610	3.6
96.08950	0.7
97.02896	1.8
98.97579	0.9
103.05482	7.1
105.07035	2.8
107.05029	1.2
107.08573	3.3
108.08932	0.7
109.06552	0.7
109.10155	0.9
119.08591	2.3
120.04512	1.3
120.08936	0.7
121.02879	1.2
121.06519	100.0
121.10142	1.7
122.06937	0.6
133.10132	2.2
134.10501	1.0
135.04419	1.4
135.07948	0.7
135.11736	1.5
137.06013	0.8
138.09154	2.0
147.11707	1.3
148.03943	4.0
152.07094	1.3
157.10143	0.9
159.11736	0.8
161.13344	1.1
163.04027	0.8
165.09137	0.6
166.05048	1.1
175.14894	0.8
180.06563	10.0
183.11661	0.7
184.09720	3.2
187.14912	1.0
189.16466	1.3
190.16742	1.2
191.17969	0.7
203.18129	0.7
216.10263	1.4
216.12233	1.2
225.19704	0.8
234.11255	1.4
262.10785	2.1
280.11838	14.8
294.13370	31.4
304.11954	0.8
322.12878	16.3
354.15717	1.1
400.17575	4.0
442.18784	2.2
455.35449	0.9
456.36002	1.9
473.36581	1.2
474.14908	0.7
474.37399	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	474.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46415	0.6
53.03946	2.1
53.91243	0.6
54.24044	0.6
55.01854	0.6
55.05504	1.5
62.54842	0.6
62.99863	0.6
67.05506	2.0
69.07080	2.8
71.00000	0.7
71.00336	1.1
73.02920	0.8
73.06525	0.7
75.92462	0.6
79.05482	2.0
81.07072	3.3
82.07399	0.7
83.08616	0.8
91.05476	8.4
93.07042	11.0
94.07368	0.6
94.52586	0.6
95.04965	2.0
95.08626	4.2
96.06646	0.5
97.02911	1.6
97.06543	0.9
97.10142	0.6
103.05481	6.2
105.04521	1.4
105.07029	2.7
106.07377	0.8
107.08601	5.6
108.08926	1.2
109.10162	2.5
119.08589	3.8
120.04434	1.4
120.08941	1.4
121.06510	100.0
121.10114	3.9
122.06039	0.6
122.06833	1.3
122.10481	1.0
123.08057	0.7
123.11688	0.8
131.08553	1.0
132.08966	0.9
133.06630	0.6
133.10132	2.3
134.10478	1.2
135.04439	0.8
135.11702	2.4
136.12082	0.6
138.09138	2.4
145.10106	1.6
147.11713	1.7
148.03932	3.3
149.13243	0.9
151.03915	1.1
152.07037	1.4
156.61401	0.6
159.11681	1.9
160.12059	0.8
161.13223	1.4
163.14844	1.0
164.07062	0.8
166.05072	1.2
171.11642	1.0
173.13280	1.1
174.13652	1.0
175.14833	1.3
177.16365	1.0
180.06551	9.8
184.09709	2.3
185.13174	0.8
187.11069	0.7
187.14857	1.7
188.15132	0.8
189.16414	1.3
191.17931	1.4
192.18336	1.2
201.16345	1.1
203.18040	0.9
204.18285	0.9
205.48264	0.7
206.16325	0.6
207.17384	0.7
216.10266	1.5
216.12321	1.3
217.19495	0.7
234.11382	1.7
250.15193	0.8
255.21147	0.7
262.10843	2.2
278.13788	0.7
280.08682	0.6
280.09433	0.4
280.11804	16.3
294.13373	30.2
322.12872	17.7
335.91238	0.6
336.14487	0.9
354.15405	1.0
383.73947	0.9
392.74631	0.7
400.17624	5.3
420.33594	0.8
432.21887	1.6
437.33862	1.1
438.34918	3.8
442.18469	2.6
455.34888	2.0
456.35916	7.4
474.14468	0.9
474.31720	1.0
474.36621	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	474.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
53.12789	0.3
55.01863	1.0
55.05505	1.2
59.04988	0.4
65.03930	0.4
67.05501	0.5
69.07072	4.6
70.45662	0.9
73.02927	4.3
73.06569	3.0
77.03909	0.2
79.05474	0.3
79.34177	0.2
81.07050	0.5
83.08643	0.3
85.02891	0.3
91.05492	2.0
92.05018	0.8
93.07054	2.0
95.04976	0.5
95.08604	0.7
97.06523	0.6
103.05505	1.7
107.07311	0.9
107.08575	0.8
108.08138	0.6
109.10171	0.6
119.08575	0.4
120.04453	1.2
121.06517	13.2
121.10108	0.3
128.07315	0.3
133.10117	0.4
135.11682	0.4
136.07597	0.4
137.04807	0.3
137.05972	0.7
138.05502	0.7
145.10028	0.3
147.11642	0.4
148.03951	2.3
149.02353	1.6
151.06300	2.4
152.07095	5.9
159.11710	0.3
163.03902	0.3
164.07100	0.6
166.05026	3.5
180.06570	40.1
181.06955	0.4
184.09647	0.3
189.16458	0.5
190.16814	0.4
205.15883	0.3
210.07610	0.3
252.08653	0.7
278.13794	0.5
280.11838	8.3
294.13370	100.0
295.13504	1.5
312.05579	0.3
322.12936	0.5
400.17615	9.2
410.35007	0.4
432.20337	0.5
443.13223	1.5
474.15240	0.3
474.33096	0.6
475.15686	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	474.2126
Annotation	Fiscalin A
Peak:m/z	Relative Intensity
52.29047	0.3
53.03944	2.1
55.01887	0.3
55.05507	1.2
57.03431	0.7
59.05010	3.2
65.03950	0.7
67.05518	0.2
69.52920	1.6
72.08147	0.3
73.06541	0.7
77.03928	0.5
83.04980	0.5
85.02898	1.2
91.04903	0.3
91.05482	8.6
92.05007	0.8
93.07047	10.5
94.09106	0.2
95.04981	2.3
101.06007	0.3
103.05479	8.6
105.04516	1.2
116.04986	1.0
117.05760	1.1
118.06556	3.8
120.04467	0.7
121.06511	44.3
130.05037	0.6
134.09627	0.8
135.08218	0.3
144.03275	0.3
144.03471	0.2
144.04437	8.1
146.06018	18.6
162.05511	5.2
164.07059	3.3
172.03934	4.8
176.05525	0.4
176.07076	9.4
178.08643	44.2
190.04987	2.0
194.08231	0.4
204.06564	4.0
208.09763	1.2
210.11259	0.8
222.07642	2.9
244.09718	0.7
262.10754	3.7
269.22198	0.3
272.09204	0.9
276.09311	0.5
276.12335	10.6
278.13873	29.6
290.10294	2.3
294.09787	1.7
294.13419	2.1
304.11774	9.2
310.16464	2.0
322.12860	49.7
323.13083	0.4
336.14487	2.2
354.15622	0.4
394.23853	0.3
400.13885	0.6
442.18661	3.1
474.21277	100.0
475.21515	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96304	0.8
56.96565	12.4
69.03416	1.8
69.85746	3.4
71.95261	1.5
73.02940	0.8
81.03407	0.9
82.78495	0.6
84.96043	4.5
85.02910	5.2
87.04494	0.9
97.02888	2.0
97.96810	3.1
98.97588	70.5
109.02877	0.7
110.96829	1.4
110.97576	25.2
112.99151	5.6
115.97847	1.0
116.98632	13.5
124.99121	1.1
126.88429	0.6
126.97054	0.9
127.03909	1.6
128.98610	15.2
131.00145	3.7
134.99648	1.7
137.05991	2.4
140.98608	1.6
143.00229	3.6
144.98053	1.3
145.05038	0.6
146.99654	3.2
149.01201	1.2
152.98598	0.9
158.99631	6.1
160.99127	0.8
161.01181	1.6
163.03998	0.7
167.07048	0.7
170.99648	5.7
177.00780	3.1
179.00162	1.4
179.07030	1.0
189.00728	2.9
189.06076	1.2
189.99457	1.0
193.01761	1.1
193.98943	1.2
194.99792	0.7
195.03371	2.4
201.00697	7.1
208.00446	3.2
210.65947	0.5
211.99908	1.4
213.04408	1.5
219.01778	49.6
223.02783	9.8
226.01448	4.2
227.02116	0.8
235.02794	25.7
236.93465	0.6
237.02838	48.6
238.01324	0.8
239.04326	0.8
241.01570	1.3
241.03862	12.8
244.02754	0.7
253.03865	15.7
255.01782	1.7
255.04007	1.0
259.04932	2.1
260.02133	2.3
261.08414	0.7
265.03842	3.9
266.07303	1.4
271.04956	6.5
273.07108	0.7
277.03745	0.8
278.03189	1.9
279.09448	1.1
279.12421	0.7
281.05527	0.8
283.04932	1.2
289.06189	0.9
295.04834	5.1
299.04483	1.0
313.05869	3.2
319.04892	0.8
325.05942	1.5
337.05914	6.6
355.07108	3.5
367.06949	7.4
373.08231	2.0
379.06879	2.4
385.08023	3.3
397.08154	2.2
415.09134	100.0
416.09460	1.3
433.10156	2.8
439.11185	0.9
475.11530	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	475.113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	8.7
57.03447	0.7
65.91051	0.4
68.75793	0.4
69.03422	1.6
69.50308	0.4
69.50626	3.2
70.98139	1.0
71.04998	0.8
71.95267	1.0
73.02888	0.9
79.57487	0.4
81.03419	0.7
84.96049	1.1
85.02900	3.5
89.03894	1.1
91.05476	1.6
97.02896	1.5
97.96789	2.3
98.97587	100.0
109.02853	0.4
110.97578	2.9
111.66060	0.4
116.98627	35.1
117.03391	0.8
119.04923	2.5
122.03656	0.7
127.03912	1.0
128.98595	3.2
131.00166	0.5
133.06560	0.5
134.99655	6.2
135.04385	1.2
136.06204	0.6
137.05988	6.5
140.00209	1.0
143.00175	1.0
145.02859	0.9
145.04974	0.9
146.99641	1.0
147.04395	4.5
152.98624	0.5
158.99664	18.9
160.99089	0.7
161.01282	1.1
163.03918	6.2
167.07036	2.1
168.06616	0.6
170.99664	1.2
173.01205	0.5
177.00714	18.4
177.05508	1.8
179.00140	0.9
179.07039	2.4
189.99492	0.5
193.01782	1.3
193.98827	0.5
195.01790	0.8
195.03333	2.6
197.01212	1.0
197.08101	0.6
198.02200	0.5
199.02721	0.7
200.02434	0.6
200.04320	0.5
201.00774	1.4
201.05098	1.1
208.00473	2.0
209.08177	0.6
211.02725	1.0
211.99991	1.1
213.04349	3.6
219.01773	11.9
220.00507	1.0
223.02855	4.3
226.01485	5.3
227.02266	0.6
235.02783	48.5
237.00494	0.6
237.02820	9.6
238.01450	2.6
239.04372	0.8
241.03839	7.5
244.02618	1.9
249.90868	0.4
253.03847	42.0
256.02603	0.9
259.04944	1.7
259.08398	0.5
265.01007	0.8
265.03836	16.6
269.03305	0.5
271.04877	19.1
272.06619	0.8
276.05426	1.4
277.03867	1.3
279.03821	6.9
280.08099	0.5
283.04871	4.3
295.04898	67.6
296.05222	0.9
297.04855	1.0
309.08530	0.7
313.05933	17.0
316.83487	0.5
325.06012	1.2
336.07596	1.7
337.05878	0.6
346.13229	1.2
355.06912	4.0
371.06171	0.5
397.08096	1.2
406.11713	0.5
410.23605	0.5
415.09103	6.6
433.10129	4.1
435.23065	0.4
439.11694	0.5
454.94919	0.5
456.11743	0.4
475.11197	10.1
475.17715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.158
Annotation	CHEBI:65772
Peak:m/z	Relative Intensity
52.42578	0.3
69.62061	2.0
80.61024	0.3
82.42535	0.4
91.05470	0.5
91.88483	0.3
92.18768	0.3
93.07035	0.9
98.21349	0.7
101.22430	0.3
121.06513	2.6
132.60184	0.3
143.04700	0.8
179.20207	0.3
293.52896	0.3
310.25009	0.3
315.08508	0.4
323.07507	1.4
326.23172	0.4
337.08984	0.7
355.09967	1.5
443.13187	25.8
475.15802	100.0
476.16449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50187	0.3
64.69418	0.3
65.11156	0.3
71.57479	0.4
74.79054	0.4
79.05500	0.4
85.02893	0.9
87.35393	0.3
91.05479	0.6
93.07052	0.6
95.04968	0.4
96.03440	0.3
97.02862	0.4
110.93569	0.3
121.06515	4.6
122.06879	0.4
123.16378	0.3
133.03214	0.3
138.77309	0.3
143.04639	0.5
164.07161	0.4
165.05438	0.5
165.09138	1.0
227.14574	0.3
273.23828	0.3
278.13962	0.4
279.14145	0.4
288.06656	0.3
295.09998	0.5
313.08255	1.2
313.14029	1.6
313.58597	0.4
315.08377	0.5
323.07376	0.8
337.09067	1.0
355.10046	1.1
364.54156	0.3
366.64719	0.4
383.95966	0.3
394.10956	0.7
443.06918	0.6
443.13187	17.4
475.15753	100.0
476.16101	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.158
Annotation	Peperomin F
Peak:m/z	Relative Intensity
51.35929	0.4
60.94637	0.5
67.05512	1.4
70.76278	1.1
81.07069	1.3
85.02912	0.9
91.05494	1.9
93.07046	2.4
95.04943	0.5
95.08609	1.1
96.58020	0.4
103.05455	1.9
107.31925	0.4
109.10133	2.2
111.04459	0.4
119.08646	0.6
121.06520	14.3
122.06822	0.8
137.09590	3.0
143.04671	1.5
161.09558	0.6
163.03928	0.6
164.07033	0.7
165.09129	26.5
179.10709	0.6
180.06581	2.5
181.06932	0.9
195.16568	0.5
205.12241	1.5
206.53931	0.5
227.12807	0.6
238.07109	1.5
239.07491	1.6
252.08687	12.4
253.09019	11.8
280.08282	0.7
281.08768	0.6
285.07175	0.4
291.04868	1.0
294.09726	7.9
295.10117	12.4
303.82513	0.5
323.07550	1.8
339.15234	0.5
355.11380	0.6
383.11099	3.2
401.14352	2.8
411.10474	4.3
415.13678	24.2
416.14059	0.5
443.13177	54.3
444.13568	0.9
475.15781	100.0
476.15869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	15.7
63.56532	0.3
69.07059	0.7
70.06581	0.4
71.04992	0.9
71.10110	0.7
71.95259	0.7
73.97260	0.3
74.97628	0.4
81.07063	1.3
85.02879	0.9
86.09689	0.7
87.04433	0.4
89.51289	0.4
91.05466	0.4
93.07030	1.1
95.08616	0.4
98.97589	21.7
107.08604	0.6
115.00705	1.1
116.98630	8.8
119.01720	0.4
121.06511	0.5
123.49593	0.3
124.37635	0.3
127.00689	5.8
129.02249	1.4
130.05003	0.3
131.04945	0.3
131.98399	0.3
133.01743	0.4
134.99687	2.1
135.11693	1.4
137.02727	0.7
139.00690	0.9
141.02220	0.8
143.03816	0.5
145.01741	8.8
147.03253	1.0
147.04372	0.3
153.12778	1.9
153.88295	0.3
155.03789	1.3
157.01791	0.3
157.05376	1.7
159.03329	1.9
161.04887	0.4
163.02777	4.4
163.03931	0.6
164.07065	0.4
168.03313	0.4
169.05301	0.6
173.04897	0.7
175.06419	4.2
183.03264	0.6
187.06438	1.3
188.03668	0.4
193.07474	1.4
199.06389	0.5
201.04359	0.6
201.07982	0.6
209.08405	2.2
211.06470	1.1
225.07805	0.4
227.09570	10.3
229.07431	2.2
245.10609	7.8
251.09586	4.8
263.11661	1.1
268.12173	0.7
269.10623	14.1
287.11667	100.0
288.12070	0.6
292.12317	0.4
299.11307	0.4
305.12711	6.8
328.14297	2.4
366.41498	0.3
415.23499	2.1
475.14420	4.2
475.21472	1.8
476.19308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92411	2.5
53.24307	2.9
55.05515	12.1
57.07068	2.8
60.92796	2.6
67.05505	17.8
69.07069	20.0
70.91127	4.5
70.91465	4.1
71.04993	4.0
76.33551	2.7
79.05512	15.8
81.07059	46.8
83.08622	9.9
85.06533	3.1
91.05494	10.1
93.07050	32.0
95.08617	90.6
97.10184	8.4
105.07050	22.9
107.08597	47.6
109.06503	3.8
109.10167	63.1
111.08083	5.5
111.11709	4.1
119.08596	46.9
121.10149	37.9
123.08089	3.7
123.11753	14.3
123.12535	3.4
125.81712	3.1
131.08574	5.1
133.10159	37.4
135.08145	4.8
135.11707	54.3
139.07596	3.5
143.08658	5.2
145.10114	8.4
147.11745	19.0
149.09607	4.2
149.13286	12.1
153.09117	22.8
154.94235	2.6
157.10159	4.1
159.11725	5.9
161.09587	5.5
161.13283	8.8
163.14836	8.3
165.09128	8.4
171.11732	5.8
175.11215	3.3
175.14859	7.9
177.16409	8.7
179.10765	4.8
187.14827	8.6
189.16408	67.3
189.57973	2.4
191.14331	3.1
191.17967	100.0
193.12213	3.8
197.13348	3.6
203.14378	3.0
203.17914	3.3
207.17461	16.1
209.19028	50.0
211.14842	3.2
215.18007	4.6
217.15880	3.9
231.17432	9.1
235.16940	11.8
241.19588	3.0
249.18515	76.1
267.19641	7.7
285.22086	8.5
409.34702	4.0
421.34680	9.0
427.35840	21.1
439.35831	15.6
457.37054	25.4
475.22037	3.4
475.34055	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	475.3787
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
53.03934	2.7
55.05070	2.2
55.05512	16.2
56.96571	2.0
57.03425	2.1
57.07061	5.8
59.05001	2.7
65.03947	2.4
67.05499	32.1
68.27011	2.1
69.07070	27.2
71.04979	4.2
71.59134	3.3
79.05492	19.2
81.07053	57.6
83.04973	5.6
83.08614	9.5
83.17033	2.1
85.00976	2.5
85.06544	2.7
85.07369	2.2
91.05470	17.1
93.07044	40.4
95.04963	2.9
95.08610	100.0
97.06517	5.0
97.10162	8.1
105.07024	27.4
107.08598	62.8
109.06517	5.7
109.10153	69.6
111.08080	5.9
113.09607	2.3
117.07014	5.8
119.08585	45.0
119.09359	4.0
119.23553	2.2
121.06518	3.8
121.10145	57.2
123.08080	9.7
123.11703	22.4
125.09571	3.7
129.07019	3.7
131.08562	13.3
133.10147	40.6
135.08061	3.7
135.11702	36.8
137.09561	3.9
137.13264	11.5
139.07549	3.1
143.08551	5.5
145.10135	18.9
147.11699	37.6
149.09662	6.9
149.13257	32.6
151.07579	2.4
151.11182	4.5
155.08543	4.1
156.09352	3.3
157.10133	7.2
159.11688	23.6
161.09621	4.2
161.13243	30.6
163.11142	4.1
163.14804	12.7
165.12741	7.9
171.11736	10.7
173.09532	2.4
173.13292	16.8
175.11234	3.5
175.14803	20.7
177.12761	3.4
177.16437	10.8
179.14299	7.0
185.13283	10.3
187.14824	17.4
189.12807	3.0
189.16411	20.9
190.16833	2.6
191.14308	6.5
191.17992	29.1
197.13289	4.3
199.14842	9.4
201.12738	3.1
201.16360	13.4
203.14177	2.9
203.17957	48.7
204.18381	3.0
205.15941	5.6
205.19499	5.0
206.16255	2.6
207.17444	6.9
211.14857	4.2
213.16394	6.8
215.17908	4.8
217.15984	5.5
217.19554	7.0
219.17390	12.0
221.19000	7.8
226.66673	2.2
227.17982	4.9
229.19424	3.5
231.17522	6.2
231.21051	4.3
233.18988	3.0
235.16943	5.4
239.17783	3.0
241.19574	6.8
243.21130	8.2
249.18547	6.3
249.22157	6.1
253.19485	2.9
255.21088	5.0
257.22495	4.1
259.20654	3.1
261.22232	5.2
267.21030	2.9
269.22775	4.3
271.20380	2.6
273.22305	4.8
279.23352	14.3
285.22101	5.1
299.23715	3.1
304.26428	3.6
321.25583	3.2
335.25964	3.7
385.31018	2.8
391.33658	6.2
403.33600	6.3
409.34686	27.7
421.34793	28.9
427.35892	53.0
429.36115	9.0
439.35861	65.8
445.36514	2.7
457.37338	34.4
475.33597	13.3
475.37845	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	475.3792
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
53.03944	1.6
55.05523	9.3
56.96570	10.1
57.07064	3.7
59.05001	2.4
65.03933	1.3
67.05508	14.9
69.03432	2.7
69.07072	21.7
69.66637	1.7
69.67049	5.1
71.04987	2.0
71.08628	1.3
78.33302	1.0
79.05502	18.9
81.07068	35.5
83.04999	2.6
83.08633	8.7
85.06543	3.2
91.05489	16.1
93.07055	40.3
94.07360	1.2
95.04987	3.3
95.08617	54.4
96.08936	2.9
97.06525	6.8
97.10179	6.0
99.08127	2.0
103.05508	1.7
105.07038	28.6
106.07375	1.3
107.08604	54.6
109.06536	4.9
109.10172	27.8
110.10507	1.1
111.08083	3.9
111.11712	1.6
113.09669	5.3
117.07052	3.9
119.08589	45.4
120.08939	1.7
121.06515	3.9
121.10152	45.9
122.10508	1.8
123.08073	6.4
123.11710	13.0
125.09647	4.4
129.06946	1.6
131.08586	12.6
133.10143	29.0
135.08070	2.0
135.11713	33.2
136.12051	1.6
137.09654	3.2
137.13255	3.2
139.11186	11.6
139.77473	1.1
143.08601	5.6
144.09384	1.9
145.10141	17.6
146.10516	1.3
147.04428	2.2
147.08081	1.9
147.11697	22.8
147.12787	1.8
149.09615	2.5
149.13280	13.9
151.11223	3.0
153.12794	4.3
155.10667	2.3
157.10159	9.6
158.10901	1.5
159.11700	22.5
161.09598	1.6
161.13280	13.9
163.11244	1.8
163.14839	15.1
165.12772	39.5
169.10129	2.7
171.11699	7.3
172.12497	1.4
173.13303	12.3
175.11192	4.0
175.14857	14.7
177.12880	1.8
177.16411	47.5
179.14313	2.9
181.12289	2.5
181.15948	6.4
183.11745	1.3
183.13829	3.9
185.13295	9.2
186.19450	1.1
187.14835	17.1
188.15152	1.2
189.12752	1.1
189.16351	8.6
189.84192	1.1
191.14337	4.2
191.17947	9.5
192.18336	2.6
193.15846	7.1
195.03342	1.3
195.13821	1.7
197.13287	1.6
199.14816	5.6
201.16408	26.0
202.16652	2.0
203.14296	1.7
203.17984	29.4
204.18280	1.4
205.15897	1.9
207.17564	2.0
209.15329	6.4
211.15068	1.6
211.16975	4.5
213.16393	9.8
215.17952	5.6
217.15903	1.3
217.19513	2.1
219.17464	9.0
220.17769	1.4
221.15331	3.0
225.16367	3.5
227.17981	10.8
229.19507	8.0
231.17468	11.0
231.20984	2.0
237.18523	4.7
239.02301	5.4
241.11069	1.1
241.19426	3.0
249.18530	72.5
250.18982	1.6
253.19475	1.3
255.21097	3.2
257.03403	1.6
257.22656	1.7
265.19748	1.2
277.21634	12.8
279.21130	2.0
281.22552	2.6
283.24268	8.0
307.09061	1.2
315.16312	1.8
333.17453	3.6
391.33356	2.1
403.33530	3.3
409.34735	22.8
411.35669	2.5
421.34927	7.9
427.35840	7.2
439.35785	100.0
445.36865	10.5
457.37045	23.1
475.38235	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	475.3785
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
53.03957	1.8
55.05502	8.9
57.03424	1.7
57.07056	2.6
67.05502	17.5
69.03410	1.7
69.07070	12.7
69.74618	6.3
69.75028	3.5
73.31997	1.5
79.05501	16.1
81.07056	37.0
83.05011	1.8
83.08620	7.3
85.06554	4.7
91.05489	12.0
93.07049	36.7
95.04976	2.8
95.08609	62.5
96.08941	2.1
97.06525	6.5
97.10167	7.0
105.07033	30.4
107.08597	52.0
109.06553	4.7
109.10168	30.1
111.08063	6.9
113.09657	5.2
117.07063	2.7
119.08586	51.5
121.06508	11.3
121.10143	46.2
123.08047	6.6
123.11702	14.7
125.09677	2.2
129.06970	2.3
131.08604	10.4
133.10141	33.0
135.08136	2.9
135.11700	36.6
137.09607	4.2
137.13264	3.9
139.11163	7.1
142.07797	2.0
143.08559	7.0
145.10126	19.7
147.08113	2.8
147.11687	28.4
149.13277	12.1
151.11188	4.8
153.12718	1.8
157.10139	9.2
159.11679	22.7
161.13246	16.8
163.14836	12.2
165.12761	20.5
169.10127	2.3
171.11647	3.7
173.13318	9.5
175.14862	15.6
177.12822	1.8
177.16405	39.0
179.14339	2.6
181.12296	1.9
181.15872	3.5
183.11739	2.5
185.13353	9.4
187.14848	13.7
189.12773	2.6
189.16405	10.1
191.14366	3.6
191.17963	10.6
193.15892	5.3
199.14850	7.3
201.16393	26.8
203.17979	27.1
207.17532	3.7
209.15367	4.8
209.82761	1.7
211.14967	2.1
211.16997	3.3
213.16432	12.4
215.17935	6.6
217.19525	2.2
219.17453	6.4
221.15431	2.0
225.16467	3.3
227.17911	14.5
229.19521	5.9
231.17436	7.1
233.18985	2.2
235.16994	2.0
235.68753	1.7
237.18445	5.8
239.17975	1.9
241.19611	3.2
249.18513	100.0
250.18993	1.8
253.19449	2.2
255.21190	4.8
257.22784	2.4
267.21130	3.3
281.22534	2.0
283.24289	5.5
285.25745	2.3
295.24277	2.0
391.33536	2.7
403.33630	3.2
409.34631	29.0
421.35043	9.6
427.35614	5.5
439.35818	92.9
445.36838	9.5
457.36960	25.0
475.38098	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	475.379
Annotation	Myrrhanol B
Peak:m/z	Relative Intensity
51.40715	0.9
53.03946	1.6
54.37485	1.0
55.05516	7.1
57.03450	1.3
57.07077	4.1
57.46668	1.0
67.05509	14.9
69.07072	18.1
71.05019	1.3
71.08618	1.8
71.26640	1.8
71.26992	1.1
77.11607	1.0
79.05493	13.0
81.03420	1.4
81.07066	28.4
83.04980	1.8
83.08622	7.6
85.02917	1.6
85.06559	1.7
91.05490	12.1
93.07051	32.1
95.04976	2.3
95.08611	57.4
96.08961	1.5
97.06507	1.7
97.10165	2.8
105.07037	22.0
107.08606	41.5
109.10165	33.8
111.08118	2.3
111.11700	1.4
113.09670	5.7
117.07011	2.4
119.08587	32.0
119.09446	1.6
121.06515	2.3
121.10152	40.6
121.11032	1.9
123.08103	2.3
123.11714	11.9
125.06033	1.3
125.09646	1.1
129.06958	1.4
131.08575	4.4
133.10136	32.5
135.10678	2.0
135.11705	31.1
137.09619	2.7
137.13254	3.5
139.07533	2.4
140.57124	1.0
143.08601	1.3
144.08092	1.7
145.10098	7.1
145.43849	1.1
147.08105	1.2
147.11699	27.8
149.13281	14.5
151.11229	1.7
153.09099	1.4
157.10165	1.9
159.11710	7.1
161.13271	16.7
163.14822	21.4
165.09125	2.2
165.12798	1.4
167.10684	2.4
171.11722	2.1
173.13298	4.6
175.14877	9.5
177.16423	7.2
179.10684	2.7
179.14276	2.1
187.11908	1.1
187.14844	7.2
189.16403	23.9
189.18103	1.5
190.16724	1.7
191.14359	2.0
191.17958	56.0
193.12280	2.7
199.14891	2.4
201.16367	7.5
203.14343	1.5
203.17984	39.1
205.15958	1.9
205.19542	3.1
207.13882	2.3
207.17459	5.9
209.19002	1.4
213.16374	1.6
213.46819	1.1
215.17975	3.3
217.19557	10.5
221.18987	3.5
223.16962	1.6
229.19534	1.6
231.17474	5.4
231.21074	5.5
235.16942	1.2
241.19649	1.1
243.20979	1.2
249.18530	9.6
313.27124	1.3
343.26135	1.2
359.28137	1.2
393.35202	6.5
395.36789	2.5
411.36218	20.7
413.38004	1.6
421.34842	8.1
426.38791	1.1
428.35925	1.3
429.36963	34.0
439.35742	100.0
440.35580	2.6
457.36734	11.4
475.30557	4.5
475.37567	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	475.3786
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
51.82032	2.4
53.03947	3.4
55.05513	18.3
57.03428	7.2
57.07066	11.8
57.56012	2.5
61.02906	11.9
67.05228	2.5
67.05508	28.3
69.03423	7.7
69.07078	22.1
71.08629	4.8
71.59384	3.6
73.02934	4.2
73.95736	2.6
79.05493	17.5
81.07062	53.7
83.04980	3.6
83.08612	14.9
85.02904	9.0
85.10179	6.0
91.03967	6.3
91.05482	15.0
93.07041	45.5
95.04959	5.5
95.08607	100.0
96.08916	3.4
97.02895	7.6
97.06524	5.3
97.10162	10.3
99.04494	2.8
99.08092	3.2
101.02339	4.4
105.07030	34.0
106.07316	3.0
107.08598	56.9
109.06516	8.3
109.10156	51.9
111.08071	10.3
111.11695	2.9
117.07014	2.7
119.08582	44.3
121.06500	5.5
121.09330	3.3
121.10145	48.1
123.08044	7.3
123.11724	23.2
125.09620	6.0
127.03916	4.4
131.08562	9.3
133.10129	41.5
135.08005	3.9
135.11688	34.1
137.13235	8.6
139.07576	15.4
143.08525	6.4
145.10159	14.9
147.11682	19.7
149.09595	3.1
149.13263	24.7
157.10112	6.2
159.11685	12.2
161.09657	6.7
161.13271	19.9
163.11165	4.4
163.13858	2.3
163.14883	21.9
165.12790	5.4
171.11658	4.0
173.13225	9.7
175.11165	3.6
175.14874	12.6
177.16374	21.3
179.14297	4.4
183.11731	4.0
185.13359	3.2
187.14873	12.6
189.16402	60.4
190.16798	3.1
191.17912	20.1
193.15935	4.8
199.14819	7.1
201.16328	9.7
203.14261	3.4
203.17923	8.3
205.19557	33.7
207.17435	41.0
213.16429	6.1
215.18071	3.7
217.15796	13.0
217.19405	3.0
219.17363	5.4
223.17043	3.1
223.20525	6.1
227.17989	7.5
235.16914	69.5
239.23677	6.9
241.19452	3.6
249.18506	11.9
255.21118	3.3
269.22620	2.8
281.22772	3.4
313.27396	24.9
403.33374	3.1
421.34613	7.9
427.35632	5.4
429.33661	15.2
439.35864	35.9
457.37308	44.4
475.36511	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
51.34961	0.4
53.03947	3.7
54.95549	0.4
64.84063	0.4
64.88306	0.3
69.46212	1.6
69.46637	1.4
77.03922	0.9
79.05481	0.9
81.03429	0.5
87.04491	1.0
91.05482	13.8
93.07046	16.4
94.07359	0.4
95.04984	3.9
95.32905	0.4
103.05472	15.7
104.05028	0.4
105.04513	1.8
107.04982	0.7
115.01149	0.3
118.06537	1.2
120.04411	0.5
120.08101	0.5
121.06509	68.5
122.06029	0.7
133.05212	0.6
134.05965	0.6
135.04398	0.7
136.07585	0.6
137.05974	0.8
144.04424	0.4
146.05978	2.0
150.05544	1.1
151.03915	1.5
152.04327	0.9
162.05527	1.7
163.03931	1.7
164.04308	0.7
164.07068	1.0
174.05490	2.2
176.07010	0.5
177.04198	0.5
178.05002	0.8
178.08652	1.4
180.06615	1.1
190.04993	2.1
191.05792	1.6
192.06540	3.6
194.08128	0.4
202.05141	1.9
207.09007	0.7
208.06026	0.5
209.06757	0.6
210.07648	1.3
218.04515	4.6
220.06067	9.1
222.07639	0.7
224.05629	1.3
224.09145	0.7
234.07616	3.4
236.05560	11.8
238.07159	2.1
239.07878	1.3
242.40594	0.4
246.03938	0.8
250.07126	17.9
252.08678	57.7
253.08943	0.4
259.74268	0.4
264.05106	2.2
266.10281	0.8
269.70624	0.4
270.09848	0.8
278.06589	9.0
278.09473	0.7
282.06131	0.9
294.09714	6.3
296.07669	11.7
306.05978	0.6
308.11346	1.4
312.10779	7.5
324.07117	1.4
338.08694	36.6
356.09927	2.2
374.12564	0.4
432.16574	0.5
476.15442	100.0
477.15833	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	476.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53311	0.3
53.03951	1.7
55.01842	0.4
55.05519	0.8
57.03440	1.9
58.99591	1.9
59.01136	0.3
61.01154	19.5
67.05501	2.9
69.07057	0.5
70.90208	0.7
70.90562	0.5
72.00346	0.6
74.99072	1.8
75.02714	2.6
76.39425	0.4
77.00648	1.6
79.05484	1.6
81.07054	3.3
83.04988	0.5
83.08621	0.5
85.01150	1.4
85.02908	6.9
87.02697	29.9
87.74157	0.3
88.03001	0.4
89.04266	1.0
91.02187	0.4
91.05492	2.4
93.07059	3.7
95.04971	1.0
95.08620	2.2
97.06530	0.5
103.05489	2.3
105.00113	2.8
105.03751	4.3
105.04459	0.5
105.06998	0.7
107.08609	0.9
117.07054	0.5
119.08572	0.4
121.06514	15.4
121.10145	0.9
123.11697	0.4
131.08606	0.6
133.03197	100.0
134.03510	0.5
135.11658	0.4
164.07057	2.6
165.07457	0.3
173.13269	0.4
179.90742	0.3
241.16342	0.4
252.06413	0.4
282.07986	1.0
296.09521	72.3
297.09888	1.3
335.25800	7.9
338.06564	0.8
356.11835	0.9
402.13733	14.5
434.15964	0.6
440.16440	0.4
464.71814	0.3
476.12857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.33473	0.5
57.03444	1.4
58.48889	0.5
58.99585	1.4
61.01157	17.4
70.88784	1.0
70.89127	1.0
72.41943	0.6
74.99065	1.5
75.02323	0.5
75.02711	3.0
77.00636	1.5
77.21168	0.5
84.62843	0.4
85.01127	1.7
85.02907	6.5
87.02700	30.0
89.04261	1.1
91.02216	0.7
91.05476	1.6
93.07044	2.2
95.04971	0.9
99.45329	0.5
103.05479	1.7
105.00098	3.2
105.03116	0.5
105.03709	3.0
109.10172	0.6
119.08581	0.7
121.06522	17.4
122.06869	1.1
133.03200	100.0
135.11693	1.5
150.05516	0.7
164.07082	2.5
165.09099	3.1
166.09480	0.9
175.14923	0.9
180.06506	0.7
181.06850	0.6
206.00130	0.5
252.08658	1.9
253.09004	2.2
254.09152	3.1
282.07919	1.0
294.09744	1.4
295.10080	1.6
296.09537	80.8
297.09900	0.7
314.13873	0.9
336.09500	0.5
356.11459	0.5
402.13745	16.2
444.17053	2.4
476.16116	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	476.1917
Annotation	Fumiquinazoline E
Peak:m/z	Relative Intensity
53.03941	2.7
55.01877	1.0
56.96557	1.0
65.87294	0.7
69.03413	1.1
77.03928	1.4
81.07090	1.1
85.02915	1.6
86.09673	0.9
87.02705	1.5
87.04476	0.9
91.05481	14.7
93.07047	17.1
95.04980	3.8
98.20670	1.3
98.97626	1.0
100.37222	0.7
103.05471	12.1
105.04571	0.9
105.07043	1.6
117.61021	0.8
120.04461	1.0
121.06515	67.9
122.06846	2.2
133.03246	3.6
134.06039	1.3
136.47868	0.9
144.04494	1.3
148.03949	0.8
150.05505	1.0
152.07048	1.2
160.04001	3.2
162.05519	4.4
163.03961	0.9
164.07056	5.6
165.05557	1.2
166.05069	1.0
176.07089	2.3
178.05045	1.1
178.08713	2.1
180.06555	12.1
184.07304	1.2
192.06546	3.9
194.08128	11.1
202.70448	0.8
204.06639	4.7
206.08215	2.5
208.09734	1.4
212.41893	0.8
220.09778	2.2
222.07631	7.6
224.09221	4.8
229.80920	1.5
236.09169	24.3
238.10745	39.5
240.08765	2.3
250.07210	3.6
252.12407	2.3
254.10246	22.5
264.08749	11.1
280.11835	9.9
282.09747	16.8
296.11356	38.9
312.14517	4.4
324.10788	36.7
338.12256	4.2
356.13678	2.9
402.15659	6.2
412.10919	1.5
416.14191	2.0
444.12933	6.8
447.14764	1.0
476.19345	100.0
477.19714	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1919
Annotation	Fumiquinazoline E
Peak:m/z	Relative Intensity
51.66829	0.4
60.80277	0.4
65.03926	1.1
68.01611	0.4
69.63903	1.9
69.64331	0.9
81.07063	0.4
87.04475	24.0
91.05489	18.6
92.61426	0.4
98.21453	0.8
99.57389	0.4
103.05508	0.5
109.06535	0.5
116.04964	0.8
117.05772	1.3
118.06554	2.7
119.04949	7.7
121.06529	0.6
137.05983	18.0
144.04480	4.8
146.06023	10.0
162.05501	3.1
172.03990	2.3
176.07083	5.7
178.08641	25.1
179.09021	0.5
182.78549	0.4
190.05008	2.2
194.08076	0.6
204.06590	5.0
210.11287	0.8
222.07625	6.8
248.09126	0.9
262.10773	3.2
264.12338	4.9
276.08685	0.9
290.10260	3.9
296.14832	0.6
308.11310	32.1
322.12900	1.4
324.11429	0.4
339.60364	0.4
340.13882	0.7
386.81195	0.4
390.15579	1.3
444.16599	2.9
476.19189	100.0
477.19330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1917
Annotation	Fumiquinazoline E
Peak:m/z	Relative Intensity
50.01591	0.3
50.19735	0.2
50.36730	0.2
51.02378	0.4
53.03949	3.2
63.66262	0.3
65.03945	0.3
69.24592	2.7
77.03916	0.6
91.04907	0.5
91.05479	9.2
92.05006	0.3
93.07046	11.7
95.04975	2.4
103.05467	9.1
105.04517	1.5
106.06558	0.5
117.05557	0.8
120.04443	0.3
121.06503	48.2
122.06840	0.4
132.04442	0.3
134.06007	1.0
135.04472	0.6
137.05986	0.4
142.46974	0.3
144.04454	1.2
145.02911	0.3
148.03998	0.4
148.07605	0.7
150.05531	0.3
160.03940	3.5
162.05495	4.2
163.03894	1.5
166.08598	0.4
176.07089	2.7
177.07910	0.4
178.05028	2.0
178.08640	0.6
178.35063	0.3
180.06580	0.9
188.07010	0.7
192.06552	3.9
194.08127	11.2
195.08725	0.3
204.06541	4.2
206.04533	0.4
206.08122	1.8
208.09659	0.7
218.08093	0.3
220.06140	0.6
220.09723	3.0
222.07631	7.4
222.09627	0.5
222.11324	0.6
224.09192	3.9
229.12694	0.3
232.06047	0.6
236.09178	28.0
238.06944	1.3
238.10736	40.9
246.07585	0.7
250.07144	2.6
252.12231	1.7
264.08670	10.4
268.08017	0.3
268.12119	0.3
280.08310	0.8
280.11771	7.0
282.06552	0.6
282.09717	13.8
296.11316	3.7
312.14404	4.7
324.10764	35.7
338.12360	3.5
356.13379	2.1
444.16486	0.9
458.18628	0.3
475.53458	0.4
476.19159	100.0
477.19522	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
56.80552	1.5
57.03440	50.6
57.68466	1.5
59.04995	1.9
60.04513	1.4
61.02928	17.8
69.03434	46.4
69.03812	2.5
69.40398	10.4
71.01350	4.3
73.02923	100.0
81.03416	6.1
85.02911	68.5
85.03431	2.4
87.04472	12.9
89.00523	1.4
91.05473	6.0
93.07025	2.7
96.04447	1.6
97.02896	75.8
99.04427	2.8
100.00467	1.6
103.05476	2.0
105.07033	14.5
105.64001	1.3
107.76904	1.4
109.02876	9.0
115.03938	72.5
119.04945	1.3
121.06508	6.6
124.05217	18.7
127.03923	19.7
132.06631	2.0
133.04977	33.5
133.06476	12.8
137.05991	31.7
137.06891	0.8
144.06589	7.7
145.02896	2.0
145.04973	26.9
149.89653	1.5
150.07645	8.6
162.07663	4.8
163.06046	7.7
165.09128	91.2
177.05443	3.2
177.09108	2.6
180.08650	5.8
181.04996	1.5
189.09195	2.9
193.05005	3.2
201.09212	2.2
210.07603	1.8
223.06059	5.3
224.05565	6.0
226.57388	1.4
236.09196	3.1
238.07121	56.7
238.10706	2.8
238.70062	1.4
241.07021	7.7
259.08136	5.2
261.11252	4.7
280.08224	34.9
280.11426	3.6
282.09650	1.5
295.10205	3.5
324.10748	3.4
402.11871	4.4
476.19226	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05517	7.6
55.44623	0.6
56.17178	0.6
57.03446	6.0
57.07077	1.0
65.03934	0.7
67.05510	27.4
69.03426	0.7
69.07071	6.9
69.63157	3.5
71.04989	1.2
73.69480	0.6
79.05496	12.4
81.07060	22.3
83.08611	1.9
91.05490	7.0
91.40730	0.6
93.07054	15.3
95.04989	1.7
95.08613	21.6
97.06551	1.0
97.10170	0.9
105.04501	0.7
105.07039	4.1
107.08601	7.5
109.06522	1.1
109.10176	6.8
111.08096	1.0
117.07012	1.5
119.08578	3.6
121.10157	6.4
123.08058	0.6
123.11705	2.2
131.08542	2.3
133.10133	2.9
135.11726	3.8
135.17781	0.7
136.13499	0.6
137.13295	0.7
145.10126	1.4
147.11676	2.3
149.13277	1.3
159.11760	1.5
161.13252	1.0
173.13257	0.9
175.14897	0.8
189.16431	1.2
191.17934	0.9
208.17738	0.8
261.22263	0.7
292.64941	0.6
304.26266	3.1
335.25812	100.0
336.26059	1.4
458.33569	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.05291	1.0
55.05521	8.4
57.03421	3.6
59.73086	1.0
60.00643	1.0
62.06092	32.7
65.03946	1.3
66.23808	1.0
67.05506	27.0
69.07070	9.3
69.40312	0.9
69.52396	5.7
72.53768	1.2
79.05072	1.1
79.05502	18.1
81.07058	23.7
83.08610	3.2
91.05489	9.2
93.07043	19.9
94.91264	1.1
95.04993	1.4
95.08610	21.3
97.06548	1.8
97.12463	1.1
98.98463	11.3
99.08109	1.9
100.68683	1.0
105.07030	7.3
107.08604	13.4
109.10164	8.7
111.08097	1.0
117.07000	1.9
119.08597	4.6
121.10159	9.7
121.84359	1.1
123.11735	1.9
124.01604	1.6
124.47820	1.0
131.08575	3.6
133.10101	5.6
133.15791	0.9
135.11681	5.2
137.09645	2.0
137.13214	1.1
142.02666	1.5
145.10104	2.8
147.11703	4.2
149.13251	2.6
151.11267	1.1
155.01076	2.9
157.10197	1.2
159.11650	2.3
161.13269	1.9
163.14890	1.8
173.02136	2.2
173.13240	2.1
175.14825	1.2
198.05319	2.4
201.16397	1.0
216.06386	3.3
237.52876	1.2
243.20963	2.3
261.22192	7.3
304.26370	13.3
317.24942	1.3
335.25809	100.0
415.22592	1.4
441.33887	2.6
458.27078	6.8
458.37860	1.2
469.58127	1.1
476.27725	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	476.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68846	0.6
53.03942	1.7
65.03927	0.8
69.07047	0.9
69.47182	4.9
75.02864	0.7
79.05064	0.9
79.05500	13.2
81.07034	1.6
87.02724	1.1
91.05487	28.7
93.07025	0.9
95.04977	1.3
95.08595	1.1
98.21569	1.2
103.05484	6.7
105.07037	63.3
106.06516	1.4
107.08571	4.5
121.06478	0.9
133.05025	1.0
133.05457	1.6
133.06502	52.4
135.08064	100.0
136.08379	1.0
145.10397	0.8
148.16652	0.8
151.07556	17.0
157.10478	1.1
167.05252	1.3
177.25667	0.8
178.08423	1.1
179.64806	0.8
181.10088	1.7
192.06561	1.0
198.12796	38.9
266.43738	0.7
279.17801	57.3
296.09402	1.5
350.73703	0.7
462.78015	0.8
476.37595	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	476.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16386	4.3
63.66509	3.9
67.05507	8.3
69.48198	30.5
79.05489	7.0
81.07057	8.4
91.05494	8.7
93.07061	9.8
97.06541	4.8
103.05542	4.5
120.08826	3.8
121.06512	100.0
133.03178	5.1
163.03867	4.3
240.60057	4.5
299.44449	4.1
335.25748	16.4
413.27042	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	476.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.6
55.05497	5.9
57.07063	3.1
67.05498	8.6
69.03427	4.1
69.07071	10.9
69.59445	1.8
71.08644	2.8
79.05489	7.3
81.07063	15.8
82.98668	1.7
83.04996	5.3
83.08621	6.2
91.05464	6.8
93.07034	19.2
95.08606	30.5
97.06543	4.1
97.10157	3.0
98.97739	1.7
105.07064	15.5
107.08597	25.4
109.06528	2.7
109.10188	15.6
111.08092	5.6
113.09663	2.5
115.07613	2.0
115.41832	1.9
117.06956	3.0
119.08598	26.5
121.06516	3.1
121.10152	39.3
123.08068	2.3
123.11694	8.0
125.09589	7.6
130.44766	2.0
131.08571	5.8
133.10130	21.0
135.08047	3.2
135.11711	16.7
137.09535	2.5
139.07532	10.9
139.11208	3.6
143.08553	3.3
144.14388	1.7
145.10132	14.7
147.04381	3.0
147.11726	13.5
149.09627	4.5
149.13255	7.8
155.08501	2.0
156.76598	2.0
157.08606	3.4
157.10150	7.5
159.11688	14.3
161.13278	8.1
163.14830	4.7
165.12837	1.9
167.10683	6.2
169.10052	2.2
171.11766	4.3
173.13246	8.8
175.14830	6.0
177.12749	6.9
183.11714	2.2
185.13202	3.6
187.14825	9.7
189.12680	2.3
189.16414	7.5
195.11674	1.7
195.13829	7.0
197.13312	2.8
199.14857	3.9
201.16299	12.1
203.14308	7.5
203.17984	14.1
205.15820	2.5
209.13354	2.5
213.16389	4.8
215.14505	3.1
215.17883	4.3
219.06581	5.1
221.15297	2.4
227.17955	7.4
229.19487	2.4
233.15346	18.8
249.14850	6.5
251.16447	21.1
257.22565	2.5
269.19110	2.3
269.22665	9.6
293.22632	4.9
299.40137	2.0
311.23703	4.1
311.27686	1.9
380.61115	2.0
405.31430	4.0
413.34088	2.8
423.32568	54.1
433.23239	2.5
441.33673	100.0
459.34622	15.8
476.27917	3.5
476.34024	7.2
492.62146	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15843	0.2
55.84430	0.3
69.03436	1.9
70.85571	0.5
70.85902	0.3
75.18352	0.2
79.05486	0.9
81.03404	0.7
85.02890	1.0
87.04482	1.3
88.04773	0.5
89.03406	0.4
89.03916	4.4
91.05507	1.5
91.40836	0.3
92.05802	0.6
94.75138	0.3
95.04965	0.4
97.02893	4.2
103.05454	0.4
107.04975	2.9
109.02874	0.4
111.04441	0.5
117.03391	5.9
119.04921	0.7
121.06512	0.6
122.06826	0.3
123.04430	5.8
127.03914	0.6
131.04970	0.5
135.04425	12.7
136.07538	0.4
137.02338	0.7
137.05971	1.7
138.06316	0.5
141.07014	0.5
145.02850	8.5
145.03984	0.4
146.06021	0.4
147.04414	1.0
149.06006	0.5
153.05447	1.6
161.05954	0.6
163.03911	75.1
164.04285	0.6
165.05519	0.5
166.08688	0.4
169.06464	0.4
173.05919	0.5
177.05539	0.5
178.08624	0.9
179.09021	0.5
181.04987	1.0
187.07607	0.3
197.06013	0.4
201.05432	0.5
203.07124	0.4
215.07025	0.4
223.07849	0.3
231.06500	0.4
243.06432	0.4
261.07605	1.1
307.08194	0.4
308.11353	0.8
309.11536	1.3
325.09256	3.5
407.31393	0.3
423.11029	0.3
445.16867	0.5
458.31918	0.6
459.12943	1.0
459.32028	0.3
476.32889	100.0
477.19110	4.6
477.33167	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	477.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37131	0.3
53.03947	0.7
57.03423	0.8
60.54498	0.3
61.12419	0.3
67.05526	0.4
69.03443	2.4
69.44586	1.4
69.45007	0.8
70.06590	0.4
71.01383	0.4
71.04992	0.8
73.07921	0.3
79.05511	1.8
81.03433	1.6
81.07063	0.3
81.38059	0.3
83.05024	0.4
85.02902	2.3
87.04509	0.3
89.03921	6.7
89.15742	0.3
91.05480	1.0
93.07054	0.3
95.04965	0.7
95.08640	0.4
97.02905	7.3
98.20768	0.7
98.97582	1.1
107.04964	3.6
109.02895	0.4
110.62321	0.3
111.04443	0.7
115.05516	0.4
117.03390	8.1
119.04922	0.7
121.06487	0.8
123.04432	6.6
127.03902	0.8
129.07013	0.4
131.04935	0.7
135.04433	18.8
137.02335	1.1
137.05974	0.9
141.06975	0.7
145.02858	10.9
147.04424	0.8
151.04036	0.6
153.05476	2.7
161.06020	0.7
161.89212	0.3
163.03922	100.0
164.04225	0.5
165.05479	0.7
169.06541	0.4
181.04977	1.4
193.05138	0.4
197.05907	0.7
201.05492	0.5
203.07123	0.6
208.47395	0.4
215.07034	0.4
219.06534	0.4
231.06548	0.7
232.09900	0.3
249.07516	0.4
261.07559	0.9
265.07013	0.6
275.09738	0.6
303.07419	0.3
307.08313	0.9
325.09238	5.6
337.59830	0.3
392.66772	0.3
398.57983	0.4
459.12967	0.5
477.18613	0.4
478.16989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76739	0.5
53.03913	1.0
55.01842	0.5
57.07019	1.6
67.05497	2.7
68.05805	0.8
69.03372	2.4
71.04922	0.7
71.57368	0.5
72.08125	0.7
79.05441	1.9
81.03366	1.5
85.02853	1.3
85.06554	3.8
86.06844	1.0
89.03927	6.5
91.05486	2.6
93.07047	2.6
94.07330	0.9
95.04951	0.9
97.02908	6.6
97.07611	0.6
103.05437	2.4
104.05758	0.9
105.04507	0.5
107.04968	4.0
109.02844	1.0
114.10287	4.2
115.10606	1.7
117.03397	7.3
119.04908	0.8
121.06519	13.1
122.06839	3.7
123.04441	4.3
127.03871	0.6
133.10068	0.6
135.04424	17.0
137.02307	0.8
137.05983	1.7
141.07008	0.7
144.04459	0.6
145.02847	12.7
146.06009	1.2
147.04372	0.7
153.05539	3.2
157.42641	0.6
162.05467	0.6
163.03915	100.0
164.04211	0.7
176.07054	0.9
177.07549	0.5
178.08626	3.4
179.08971	2.8
181.04974	2.1
189.05597	0.7
197.06075	0.8
201.05510	0.7
203.07204	0.6
204.06752	0.7
209.77237	0.6
218.08101	0.6
222.07651	1.4
223.08009	1.2
236.09262	1.0
237.09550	1.0
238.07240	0.6
238.10829	0.7
239.11264	1.0
253.37982	0.6
261.13226	0.8
262.14554	1.7
263.14847	1.6
275.70572	0.5
279.14102	0.6
280.08331	1.0
281.08649	0.6
281.15857	1.0
289.12860	0.8
295.17899	0.7
306.13367	4.0
307.08377	0.9
307.13779	4.8
324.11102	0.9
324.14694	3.5
325.09509	5.5
325.14575	4.9
445.03714	0.6
445.21463	0.9
459.22702	1.6
476.23672	1.6
477.23749	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	477.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24329	0.7
53.03939	1.1
54.96204	0.6
56.57150	0.6
56.71855	0.7
57.03432	1.1
69.03419	2.5
69.85475	3.7
70.06566	1.0
79.05475	1.9
80.05038	0.8
81.03413	0.8
81.07059	1.2
84.30828	0.7
85.02906	7.3
91.05475	3.8
92.05018	1.3
93.07036	2.6
94.06535	1.7
95.04965	0.9
95.07356	1.7
96.08138	4.1
97.02886	2.7
97.61323	0.7
98.98308	0.6
103.05497	1.0
106.06556	1.2
107.04956	1.1
108.08130	11.4
109.02885	1.1
110.09688	8.4
120.04469	9.9
120.08126	8.2
121.06539	1.7
126.09115	1.7
127.03896	1.3
131.04948	0.9
134.06012	3.3
135.04355	1.0
136.07584	24.1
137.05975	2.4
138.05511	1.9
138.09143	10.1
144.04451	0.9
145.04982	1.6
146.05904	0.8
147.57588	0.7
148.07545	6.5
150.09149	0.8
154.07355	1.2
154.08633	27.2
162.05511	100.0
163.03880	3.3
163.05910	1.3
166.08647	26.1
167.07056	1.1
179.03508	0.8
184.09926	1.2
194.08212	1.5
198.11658	0.9
199.12326	1.6
204.06921	0.7
209.10837	0.8
227.11772	3.5
236.09169	2.2
237.09583	2.0
238.10735	2.9
239.11131	1.0
254.10489	0.9
255.11282	2.5
264.08612	1.3
269.12909	4.1
273.12262	2.6
282.09879	1.0
287.13919	2.8
297.12341	11.8
315.13388	74.8
316.13821	1.2
324.10632	1.1
389.14484	1.2
431.15005	0.9
449.16544	2.8
477.15033	5.3
478.16968	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	477.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75665	1.7
53.03946	2.3
55.05494	2.5
63.97950	2.1
65.03888	1.7
67.05504	8.5
67.58898	1.7
68.99802	12.8
69.03423	3.5
69.23801	9.3
69.24229	9.5
71.01364	2.7
73.02904	2.0
73.86097	1.7
79.05486	3.3
80.43549	1.8
81.07068	13.4
83.04973	2.6
85.02895	2.7
87.00830	4.4
91.05481	8.5
91.86152	1.8
92.05812	2.2
93.07058	10.3
94.07400	2.8
95.04968	7.5
95.08637	10.0
97.02910	3.2
103.05481	3.7
104.05773	3.3
109.06535	1.9
109.10169	3.9
119.08588	9.0
121.06523	31.1
122.06853	13.4
123.04449	5.5
123.08109	4.5
137.05901	3.0
137.09621	10.7
147.08055	8.1
152.59488	1.9
163.03867	5.0
165.09131	38.5
183.10187	100.0
194.08142	3.7
195.08458	3.8
209.55118	2.2
212.46912	2.0
219.29869	1.6
223.07986	2.5
236.09258	8.6
237.09567	8.6
238.10797	17.5
239.11095	13.6
249.24655	1.9
265.09033	5.0
281.12146	3.0
282.09760	4.7
283.10184	6.5
313.14975	2.1
324.10840	10.6
325.11032	14.3
339.12952	2.6
390.11612	2.0
477.19507	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05500	0.3
56.96584	0.2
57.03446	1.0
57.07065	0.3
67.05502	1.5
68.99788	1.2
69.03428	1.0
69.07069	0.3
70.99446	0.4
71.08622	0.5
73.02916	1.5
79.05493	0.5
81.03431	0.9
81.07053	0.6
85.02908	1.0
85.06550	0.4
87.00845	0.9
89.03930	0.5
91.05475	0.5
93.07035	0.4
94.84901	0.2
95.04971	0.3
95.08596	0.8
97.02881	1.3
99.04491	0.2
99.08104	0.7
103.05472	0.2
103.65934	0.2
107.04951	0.5
109.02888	0.7
109.10218	0.3
113.02399	0.3
115.03938	0.7
117.03381	0.8
119.08589	0.3
121.06497	1.1
122.06858	0.4
123.04436	0.7
126.03132	1.2
127.03931	0.6
133.04985	0.2
135.04434	1.6
142.59715	0.2
145.02838	1.0
151.70378	0.2
155.10701	1.1
163.02547	0.5
163.03917	9.4
178.08649	0.2
183.10181	100.0
184.10518	0.5
185.11803	0.2
295.17328	0.2
297.07803	0.3
306.13342	0.3
307.13647	0.7
325.09119	0.3
325.14890	0.4
459.22260	0.2
477.23563	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	477.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
55.05265	2.7
55.05515	42.0
57.07078	19.3
65.03906	2.0
67.05515	26.4
69.06731	3.0
69.07077	58.1
71.03031	4.0
71.04979	9.0
71.08633	12.4
79.05497	21.5
81.07064	100.0
83.04977	7.5
83.08221	2.8
83.08632	33.3
85.06536	3.3
85.10179	7.9
91.05485	9.2
93.07054	30.2
95.04981	3.5
95.08616	68.1
97.10175	23.2
99.04451	17.3
99.08105	3.1
105.07054	15.7
107.08596	24.0
109.06516	17.3
109.10164	43.6
111.04443	6.9
111.08077	5.8
111.11718	9.3
113.05984	3.2
117.07076	2.5
119.08611	16.6
121.06538	2.9
121.10162	25.6
123.08041	5.6
123.11722	20.8
125.05998	17.1
125.09708	3.1
125.13273	2.9
127.03926	35.8
127.07552	3.2
131.08574	6.5
133.10112	9.4
135.08055	6.7
135.11713	10.9
137.05992	94.3
137.09593	5.8
137.13235	6.6
139.07544	4.1
140.01033	2.1
141.05484	6.2
142.07709	2.3
143.08578	2.4
144.09352	3.8
145.10101	5.7
147.11682	7.2
149.05919	2.9
149.09621	9.2
149.13284	13.1
151.07570	9.8
151.11188	2.8
151.14809	5.9
153.05472	3.0
155.07037	5.4
157.10095	8.1
159.11656	10.0
161.09573	4.1
161.13252	4.2
163.14838	7.6
165.09109	5.5
167.07045	8.2
169.94299	1.9
171.08080	2.5
173.09608	6.8
173.13269	4.0
175.11226	5.0
175.14871	5.3
177.09146	9.8
177.16388	4.2
179.07028	5.8
179.17860	2.5
183.06570	33.6
185.09628	8.7
187.11200	5.0
188.08308	5.8
189.09134	6.7
189.12764	3.8
189.16493	3.7
193.08578	5.1
195.10213	4.3
199.11247	3.0
201.12715	3.7
203.10716	29.2
203.14386	2.2
205.12247	6.2
207.10202	2.1
217.12285	6.6
219.13802	4.4
219.21056	3.7
221.11633	2.8
235.09634	23.7
237.11198	2.5
249.25626	2.4
255.17328	2.1
259.16919	3.1
275.27356	11.4
276.27527	1.9
277.18149	3.7
293.28632	2.1
315.30426	5.3
319.19025	4.0
333.31482	8.4
361.23892	3.5
375.25250	3.8
381.31494	6.5
395.32935	3.1
399.32639	24.4
403.28543	2.7
417.33716	12.4
423.32724	3.2
431.34653	2.9
441.33521	10.1
450.13632	2.5
459.28662	3.0
459.34723	37.9
477.33258	42.5
489.25772	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.2
55.05521	32.5
57.07084	20.6
67.05515	33.5
69.07069	62.2
70.73076	5.4
70.73414	8.9
71.04977	11.7
71.08629	14.5
72.19537	3.9
76.20676	4.3
79.05497	21.1
81.07060	100.0
83.08623	38.7
85.10175	8.0
91.05479	9.4
93.07039	38.7
95.08612	77.6
97.10172	22.8
99.04466	12.6
105.07026	19.2
107.08584	23.2
109.06516	15.2
109.10168	30.7
111.04445	6.8
111.11725	13.1
117.06999	4.6
119.08568	21.6
121.06490	9.7
121.10168	24.2
123.08048	11.0
123.11722	22.9
125.05978	14.0
126.30159	4.6
127.03938	24.1
131.08598	4.8
133.10170	9.1
135.08078	5.3
135.11734	16.5
137.05981	69.2
137.13335	9.4
138.08887	4.0
138.85858	4.7
139.07542	7.8
139.11223	5.2
141.05544	6.8
145.10167	7.9
147.11693	8.6
149.09621	4.6
149.13280	12.9
151.07542	12.2
151.14893	5.6
155.07060	7.8
157.10115	6.7
159.11646	5.1
163.14807	8.9
165.09099	8.4
167.07063	9.8
173.09602	5.9
175.11218	5.6
175.14859	5.5
177.05525	7.9
177.09108	11.5
177.16364	6.8
179.07042	10.6
183.06522	33.0
189.16333	5.4
189.45872	4.2
191.17970	5.6
193.08655	6.1
195.06497	3.9
203.10667	21.4
235.09650	37.2
263.27704	5.1
273.18436	4.6
275.27319	14.9
315.30511	4.4
319.19067	6.2
349.15848	6.7
361.23798	7.8
375.25464	4.4
389.26700	9.6
399.32608	14.0
417.33438	13.0
441.33652	8.3
459.34625	45.9
477.26331	7.8
477.34943	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	477.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.7
55.05518	37.5
57.07076	26.1
62.89314	4.7
67.05512	32.5
69.07074	75.7
69.87689	27.3
71.04992	9.6
71.08628	13.0
79.05515	29.5
81.07060	100.0
83.04968	11.4
83.08633	51.6
85.10172	8.8
91.05480	15.0
93.07038	37.6
95.04945	6.6
95.08621	88.8
97.10160	32.0
98.21441	7.3
99.04446	12.8
105.07028	18.6
107.08604	31.2
109.06498	17.4
109.10160	42.2
111.04417	7.0
111.11697	17.2
119.08588	16.7
121.10134	24.2
123.08047	8.7
123.11710	16.1
125.05983	18.8
127.03924	33.4
129.06973	5.4
131.08479	6.0
133.10124	18.5
135.11685	14.6
137.05969	92.7
137.13260	9.5
139.07599	10.4
141.05486	8.0
145.10126	8.4
147.11617	7.0
149.05966	6.7
149.13243	15.0
151.07611	13.1
155.07092	12.0
157.10162	8.0
159.11694	12.5
161.13231	9.9
163.14833	9.3
165.09093	11.6
167.06998	12.8
177.05548	9.4
177.09109	6.9
179.07097	11.0
183.06519	43.6
185.09627	6.4
187.11226	6.9
191.10698	5.9
195.06477	12.0
195.10268	7.8
203.10678	23.8
217.12148	7.9
235.09686	50.1
275.27335	12.5
333.20544	7.8
337.32462	6.4
349.16138	8.1
375.25278	8.9
383.97003	6.1
389.26880	7.0
399.32596	23.3
417.33560	16.5
441.33536	10.7
454.35870	5.6
459.34430	42.7
477.28235	6.2
477.35190	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	477.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	14.9
57.07082	37.1
59.04996	1.9
65.76543	2.1
67.05505	9.8
69.06724	2.3
69.07072	30.0
71.08638	31.4
71.57569	3.3
79.05483	5.7
81.07072	21.3
82.20710	1.5
83.08620	21.0
85.10187	16.7
91.05476	4.9
93.07052	7.6
95.08602	18.1
97.02908	2.8
97.06542	4.4
97.10189	12.7
99.04486	4.1
105.07042	9.5
107.08601	8.0
109.06507	15.1
109.10153	7.5
111.08075	3.6
111.11716	4.9
111.50094	1.5
119.08569	11.2
121.06495	2.9
121.10128	5.2
123.08076	12.4
123.11726	4.5
125.06001	24.3
125.09658	2.1
125.13301	2.7
127.07558	21.6
131.08577	4.2
133.06445	1.7
133.10120	5.7
135.08034	4.9
135.11734	2.3
137.06018	12.7
137.09633	4.5
137.13301	2.0
139.07550	85.4
139.11174	1.7
145.10100	3.3
147.11723	3.3
149.06006	3.6
149.09709	3.8
149.13261	2.7
151.07570	12.8
151.11182	2.3
161.09711	2.2
161.13240	4.0
163.07541	4.2
165.09085	7.0
167.07047	5.7
173.09686	1.9
175.14842	3.0
177.09140	13.2
177.12624	2.5
179.10631	3.8
189.12816	2.8
191.10690	2.5
193.12225	3.5
193.19524	1.7
207.13866	4.1
219.13884	1.7
221.15514	1.7
229.15662	1.6
232.34033	1.7
235.16953	2.3
239.45038	1.8
249.14899	4.9
277.21591	3.2
301.28860	5.3
302.84732	2.0
319.22845	2.4
319.26599	2.3
319.29822	10.3
335.29358	3.4
347.33081	5.6
385.34805	2.5
399.36237	4.1
403.35745	5.1
417.37521	16.9
427.35654	6.9
445.36819	100.0
459.34775	5.6
477.39603	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97630	0.5
55.05502	1.8
55.34924	0.6
60.41180	0.6
65.03925	2.3
67.06945	0.6
69.03409	1.7
70.06578	1.5
70.36748	2.3
71.04971	0.8
72.08144	0.7
72.08542	0.5
72.88045	0.7
73.02886	0.6
79.05467	1.2
79.21143	0.6
81.07063	0.7
83.08614	0.6
85.02902	2.4
87.04451	2.6
88.04787	1.2
91.05487	30.7
92.05809	1.2
93.07011	2.6
95.04969	0.7
95.08582	0.7
97.02892	0.8
98.20818	0.8
98.97569	2.3
103.05456	1.9
105.07002	0.9
107.04932	0.9
107.08553	0.7
109.06502	1.5
110.97537	0.9
112.07600	0.6
114.90957	0.6
116.98598	0.9
117.05772	0.9
118.06538	1.0
119.04953	14.5
121.06507	7.9
121.10168	1.1
122.06785	0.8
125.69865	0.7
127.03961	0.6
130.06519	0.8
131.04903	1.2
134.05949	0.8
137.05992	27.3
138.06335	1.4
140.07037	1.2
144.04433	1.2
144.08029	0.9
145.02782	0.7
145.04947	1.1
146.06065	2.9
148.07558	0.6
149.09550	0.6
158.06001	0.9
158.99625	0.9
160.03940	0.9
162.05486	1.6
163.03891	1.0
163.07443	0.5
163.42816	0.5
165.05461	0.7
166.07430	1.1
170.06001	1.5
172.07619	5.1
174.05562	0.7
176.07080	1.5
178.08696	3.6
179.03401	0.7
180.06660	0.8
188.07054	2.2
193.06821	0.6
194.07074	1.8
195.07591	2.9
202.04959	1.9
202.08669	3.3
204.06599	4.5
204.10208	16.3
205.06804	0.9
206.06763	1.0
216.06540	3.3
217.07298	1.0
218.08153	9.3
219.10229	1.0
220.06108	5.0
220.09659	1.5
222.06487	1.8
223.07104	1.7
224.09171	1.4
230.08148	0.9
232.06041	3.1
234.07661	6.6
236.05588	1.0
236.09209	17.6
237.02742	1.2
237.09111	1.2
238.07237	5.2
238.10732	2.5
248.05609	0.8
248.09027	2.3
250.07220	5.3
252.08691	1.4
260.05444	2.6
262.07086	1.1
264.08673	12.5
265.08542	2.1
266.10437	26.0
267.10056	0.7
268.07892	1.0
275.09009	0.6
278.06525	2.4
280.08203	3.6
280.11008	0.7
282.09708	7.6
282.12347	1.2
290.09042	1.0
292.08197	9.6
297.11252	4.7
298.11560	11.6
300.13098	1.9
308.07712	0.7
309.11667	0.7
310.09225	44.0
313.17169	0.6
324.10718	4.0
326.08713	2.4
331.12903	0.7
342.11917	1.2
360.10651	0.6
397.15125	1.2
404.13388	0.8
412.15970	1.1
429.31674	0.7
433.13571	1.1
446.14603	4.1
478.17023	100.0
479.21759	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
53.17168	1.1
55.01865	1.7
55.05508	1.9
57.03442	6.1
59.05001	12.4
60.04541	1.4
61.02920	1.7
65.03938	1.4
67.05496	3.6
69.03434	26.8
69.07067	5.2
70.06596	32.5
71.57704	1.2
71.76610	1.1
73.02943	2.4
79.05499	11.0
81.03433	3.3
81.07065	12.3
83.04983	1.8
84.08138	1.4
85.02914	19.7
87.04472	20.0
91.03979	2.3
91.05486	16.1
92.05807	1.2
92.85692	1.2
93.07049	42.5
95.04993	5.8
95.08605	4.3
97.02896	23.2
98.06058	4.9
98.09703	3.6
99.04449	1.3
103.05473	13.4
105.07034	63.8
107.07867	1.8
107.08599	37.1
109.02871	1.3
109.06501	3.5
109.10155	3.1
111.04430	1.7
115.03156	2.3
115.03937	30.7
117.07014	1.1
118.06548	1.5
119.08570	2.3
121.06514	100.0
121.10153	20.8
122.06848	4.4
123.04440	2.9
123.08120	1.6
123.11723	3.2
127.03907	2.8
131.08566	1.5
133.04976	30.2
133.10109	2.4
135.11705	5.7
137.09673	1.1
138.00888	1.2
139.03957	1.3
143.08598	1.5
145.04973	4.5
145.10165	1.9
147.11691	3.5
149.13264	37.3
150.07619	6.4
152.23407	1.2
153.05524	1.2
157.10098	1.8
161.13304	2.8
163.03934	2.4
165.05492	8.3
167.14442	3.0
173.13327	2.3
184.07312	2.2
185.13152	1.2
191.14392	3.7
206.11882	5.7
206.21492	1.3
213.09317	1.8
236.09340	1.3
245.15379	1.5
266.10220	1.7
266.14044	2.1
280.13489	2.4
281.17520	2.4
282.14886	5.5
326.13928	18.7
386.19601	3.4
387.41016	1.1
388.17554	2.6
414.19147	31.6
414.24435	2.0
415.19357	1.5
433.19962	1.2
446.21945	11.1
446.83139	1.1
478.23346	51.6
479.23181	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83335	1.2
53.03954	6.0
53.10710	1.1
54.91811	1.1
55.01873	1.7
55.05497	2.2
57.03185	1.1
57.03437	11.8
59.04988	3.8
60.04522	2.0
60.71349	1.1
64.77368	1.1
67.05486	4.5
69.03082	2.0
69.03436	33.5
69.07082	6.0
70.06602	7.7
71.05009	1.3
71.56681	2.1
73.02913	2.6
76.49814	1.0
77.03917	1.6
79.05498	18.5
81.03413	3.7
81.07061	16.7
83.04964	2.2
83.08617	1.9
85.02421	2.0
85.02911	30.1
86.09739	2.5
87.03987	1.6
87.04473	20.5
91.03933	3.0
91.05486	15.2
93.07055	45.9
95.04980	6.3
95.08616	6.6
97.02898	31.1
98.06039	1.3
98.97477	1.0
99.04456	3.1
103.03938	2.2
103.05476	11.5
105.04517	2.6
105.07042	100.0
107.08606	53.4
109.02876	2.3
109.06508	2.5
109.10172	6.5
111.04424	2.1
115.03938	38.1
116.42799	1.0
118.06521	2.7
119.04955	1.4
119.08582	5.6
120.59095	1.2
121.06519	50.5
121.10141	22.5
122.06838	3.5
123.04422	2.6
123.08026	1.4
123.11681	3.4
124.99987	1.7
127.03912	4.1
131.08539	2.3
133.04982	37.2
133.10078	2.3
135.11742	7.4
137.09560	1.2
143.08556	1.6
145.04964	4.9
145.10101	2.5
146.06021	2.2
147.11705	6.2
149.13274	40.5
150.07620	9.6
157.10162	1.9
157.48019	1.0
159.06538	1.2
159.08081	1.2
159.11728	2.4
161.13313	1.6
163.03886	4.5
163.06032	2.2
164.04396	1.0
165.05527	1.4
167.14320	4.3
169.04962	1.2
173.13391	2.5
178.08710	1.5
184.07346	2.4
188.07040	1.7
191.14322	3.3
193.01962	1.2
202.93942	1.0
223.47490	1.1
249.14865	1.2
259.08160	2.3
263.16467	1.2
277.09225	2.1
280.13461	2.3
281.17520	2.7
282.14911	7.2
308.12775	3.5
314.17053	1.1
326.13922	24.4
369.18466	1.1
414.18970	7.2
446.20395	2.4
478.22302	65.4
479.22580	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03942	1.3
55.05515	9.1
57.03439	3.4
57.07067	1.5
62.05787	1.8
62.06093	31.1
62.63801	0.9
67.05503	26.2
68.37284	1.1
69.07069	13.0
70.58395	2.1
74.14232	1.0
78.48626	1.0
79.05506	5.9
81.06586	1.8
81.07056	27.8
83.08642	6.5
91.05504	5.1
93.07040	8.9
95.08606	20.8
97.06512	2.2
97.10166	3.0
98.06083	1.5
98.21434	1.2
98.97694	0.9
98.97892	1.1
98.98473	8.1
99.08115	1.1
105.07016	4.3
107.08583	5.8
109.10150	7.5
119.08592	2.0
121.10130	5.1
123.08046	1.5
123.11703	3.6
124.01610	2.3
133.02545	1.0
133.10133	2.2
135.11708	3.0
137.13219	1.1
142.02620	1.8
142.25337	1.2
147.11697	2.2
149.13264	2.1
155.00987	5.8
161.13345	2.7
163.14871	1.3
165.55858	1.0
175.97282	1.0
187.78140	1.1
189.16243	1.1
198.05247	3.1
202.29510	1.1
216.06401	4.2
233.58551	1.0
241.63017	1.1
245.22522	2.4
246.84572	1.0
263.23709	7.3
306.27908	12.9
337.27368	100.0
338.27704	1.8
360.40408	1.0
383.51175	1.2
403.74585	1.0
417.24124	2.2
428.86871	1.0
443.35068	1.5
460.28259	5.1
478.28870	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	478.2935
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.10814	0.6
55.05514	10.4
56.96556	0.8
57.03450	6.2
57.07077	1.6
62.06075	0.8
63.00393	0.6
67.05505	20.0
69.07070	12.4
69.65446	0.5
70.04782	1.4
70.05169	1.2
71.05000	0.9
79.05489	5.8
81.07058	22.2
83.04961	0.8
83.08617	7.2
87.09286	0.6
89.10731	0.6
91.05476	4.3
93.07051	6.4
95.08611	17.3
97.06514	2.1
97.10152	2.8
98.97603	1.2
98.98452	0.8
99.08097	0.9
105.07044	3.3
107.08598	5.0
109.06614	0.7
109.10146	7.0
111.08110	1.1
119.08598	3.3
121.10146	3.5
122.78612	0.6
123.11707	2.1
131.08589	0.7
133.10146	2.2
135.11685	1.7
137.13312	1.0
147.11694	1.7
149.13268	1.6
161.13307	1.4
164.19757	0.7
176.66985	0.6
177.16397	1.8
222.12680	0.8
263.23724	1.1
277.16327	1.0
306.27954	2.7
317.17664	0.8
337.27377	100.0
338.27667	1.3
349.65921	1.0
383.04385	0.7
408.16391	0.7
477.77829	1.5
478.29141	1.9
478.35999	1.1
479.30072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27954	2.6
53.28538	2.4
55.34111	2.2
61.02939	2.4
70.75979	5.3
70.76320	2.8
75.27578	2.2
94.92989	7.8
95.44827	2.3
111.39528	2.4
136.94023	69.6
139.96809	2.4
148.94037	19.7
166.95099	28.1
176.93504	2.4
196.96188	11.3
238.97116	2.7
248.89609	3.8
256.98294	22.2
381.07950	100.0
419.03571	73.2
435.04626	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	479.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26966	2.2
70.45277	7.3
94.41050	1.8
94.93008	12.2
106.32702	2.0
108.23367	2.1
136.26074	2.2
136.94032	71.1
148.94022	15.5
153.55209	2.2
157.31497	2.0
166.95102	27.0
178.95076	3.9
196.96133	9.0
248.89676	8.6
256.82596	2.2
256.98328	16.7
332.37900	2.8
381.07941	100.0
386.02121	2.3
418.98056	4.4
419.03561	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	479.1553
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
53.03943	0.6
69.03417	1.2
71.62859	0.3
76.90390	0.3
79.05489	1.7
81.03432	1.5
85.02908	1.2
89.03924	7.3
91.05471	0.6
95.04987	0.4
95.51440	0.3
95.94095	0.3
97.02901	2.5
98.20657	0.6
101.09148	0.3
103.05456	0.6
107.04967	2.1
109.02841	0.3
117.03389	9.5
119.04902	0.5
123.04424	0.6
128.06255	0.4
129.06976	0.4
131.04924	0.9
133.06470	0.5
135.04428	16.4
137.05980	3.3
143.04872	0.3
143.50879	0.4
145.02858	12.2
145.03995	0.7
145.50963	0.4
147.04427	0.9
149.06003	1.0
151.07573	1.3
153.07036	0.4
161.05968	1.5
163.03914	100.0
164.04309	1.0
165.05513	3.5
165.95413	0.4
167.06996	0.4
175.07570	0.8
177.05458	0.7
179.07014	1.8
181.04945	1.4
181.06429	0.6
185.06027	0.4
189.05521	0.7
191.07144	0.6
199.07455	0.4
203.07089	1.5
205.08548	0.4
217.08687	0.4
221.08116	1.3
233.08104	0.8
245.08127	2.5
263.09103	2.1
265.07086	0.8
307.08221	0.8
325.09186	4.1
359.14908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
63.02369	0.5
64.37210	0.4
67.05517	0.9
68.99802	1.4
69.03435	1.4
71.04998	0.8
71.55807	0.8
79.05488	1.6
81.03420	2.1
81.07054	1.8
81.41495	0.4
85.02895	1.5
89.03924	6.2
91.05474	2.0
93.07050	1.2
94.07376	0.7
95.04975	1.5
95.08604	1.0
97.02905	1.8
105.07034	1.0
107.04956	1.8
109.02873	0.9
109.10172	0.7
111.04430	0.5
117.03396	9.6
119.04920	0.5
119.08572	1.0
121.06519	1.8
122.06841	1.1
123.04441	1.3
133.06480	0.6
135.04428	16.4
137.05965	2.1
137.09613	1.4
145.02859	11.8
147.04399	0.9
147.08115	0.7
148.08385	0.6
148.36824	0.5
149.05991	0.9
151.07561	0.6
157.06497	0.5
161.06018	0.8
163.03925	100.0
164.04269	1.1
165.05486	2.9
165.09117	4.7
166.09480	1.7
167.09775	1.0
175.07544	0.8
179.07057	1.9
181.04980	1.5
183.10191	9.6
184.10518	5.2
185.10718	3.6
203.07141	1.3
211.99785	0.6
212.01971	0.5
221.08105	1.2
227.07204	0.5
233.08249	0.9
237.09601	1.2
238.10869	0.4
239.11209	1.0
240.11282	0.8
241.11386	0.5
245.08110	2.1
263.09177	2.7
265.07077	0.8
307.08157	1.4
325.09308	2.2
326.11090	1.0
327.11740	0.7
447.16672	0.7
479.20038	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	479.1551
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
53.03944	1.2
55.01870	0.6
66.61401	0.6
69.03452	0.5
70.06594	0.6
70.74858	1.8
77.68047	0.6
79.05476	2.2
81.03411	1.4
81.07056	0.8
84.08125	0.6
85.02903	2.4
85.06593	0.5
89.03926	9.1
91.05479	1.6
93.07043	0.7
97.02861	1.7
103.05487	0.6
103.31043	0.6
105.07024	1.4
107.04951	1.7
115.05502	1.1
117.03384	10.6
119.04955	0.8
121.06530	0.8
123.04400	1.2
135.04416	20.3
135.08043	0.8
137.05963	7.4
145.01778	0.8
145.02866	14.7
145.04005	1.0
147.04442	1.8
149.05968	1.7
151.07550	2.5
153.07011	0.6
157.06474	0.9
161.05937	3.2
163.03915	100.0
164.04286	0.6
165.05519	5.7
167.07059	1.2
173.06024	1.7
175.07590	1.7
177.05441	0.7
179.07025	4.4
181.05028	0.6
185.05890	0.8
189.05499	1.5
189.09163	0.9
195.06573	1.0
199.07570	0.9
203.07051	3.1
203.08772	0.6
209.50964	0.6
217.08565	1.5
221.08118	1.6
227.06950	0.7
233.08044	1.4
245.08118	3.8
263.09229	6.2
265.07114	1.8
281.10114	1.7
281.23038	0.6
299.11316	1.2
303.14078	0.6
305.87186	0.6
317.06613	2.1
325.79651	0.6
421.94806	0.6
479.19293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10629	0.6
55.01872	2.1
55.05515	3.7
57.03430	1.9
67.05491	2.5
68.99787	6.5
69.03440	1.8
69.07072	6.1
69.67026	0.6
69.77779	3.0
69.78188	1.5
73.02912	2.9
79.05500	6.1
79.75913	0.7
81.07066	5.3
83.04977	3.1
83.08625	2.2
85.02902	1.8
87.00830	14.3
89.03911	1.4
91.05447	0.8
93.07068	6.1
95.08601	2.6
97.02903	3.3
97.06519	3.2
97.10144	4.2
98.21098	2.2
103.45483	0.8
103.68682	0.8
105.07056	0.8
107.04944	1.5
107.07982	0.7
107.08607	5.7
109.06542	0.9
111.04453	2.7
115.03910	1.5
117.03390	1.4
118.37382	0.7
121.10149	10.7
123.08043	1.0
125.06032	1.6
125.09651	6.4
131.08527	0.9
135.04422	3.1
139.11206	7.0
145.02849	2.0
149.09622	1.4
163.03909	18.6
165.05496	1.5
167.10681	19.6
185.11737	100.0
186.12030	1.3
479.18997	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
61.01176	0.8
63.00749	1.3
64.06377	0.5
67.05490	0.8
69.03445	0.9
79.05497	2.2
81.07047	1.6
89.02285	1.2
91.05477	3.4
93.07054	4.3
95.04980	1.7
98.20699	1.2
103.05466	2.1
105.07048	2.6
107.08637	0.8
109.06505	0.7
116.17587	0.7
121.06516	33.8
122.06808	0.9
128.06160	0.7
129.07014	1.2
133.03181	2.0
134.03548	1.1
135.02776	5.0
135.04434	0.8
136.03130	1.3
141.07037	0.8
142.07793	2.4
143.08572	1.7
145.06451	1.2
145.10097	1.1
152.07117	2.1
157.10143	1.4
159.08058	1.8
161.09616	0.9
163.03903	5.6
166.05029	8.0
169.10046	1.1
174.08354	0.7
180.06572	85.2
181.06850	0.7
183.08098	0.6
185.09651	1.5
187.11079	0.7
193.10139	0.9
197.09879	0.6
208.06091	3.5
209.09621	0.7
213.09071	2.7
222.07629	100.0
223.07843	0.8
223.11200	0.8
245.09642	0.9
253.12241	0.8
254.10246	2.0
279.13898	0.7
282.09885	0.6
286.10785	1.7
297.09750	0.9
298.09406	1.5
299.09225	2.9
307.13190	0.8
321.14688	0.8
323.61026	0.6
328.11823	17.2
397.17657	0.7
402.15369	2.9
415.18988	1.9
433.20065	1.6
461.19681	1.1
479.20432	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	8.5
56.96557	11.4
67.05489	22.9
69.07067	11.3
69.50091	15.8
69.50510	35.0
79.05482	14.2
79.14999	6.7
81.07040	19.1
84.96014	25.7
86.59418	7.2
93.07040	18.1
95.08603	21.3
98.20717	11.0
98.97587	17.5
105.07034	12.8
107.08600	7.3
109.10162	15.0
119.08591	9.3
121.10147	13.0
165.74921	6.4
244.17126	6.7
317.17792	14.9
331.19574	7.4
358.20349	7.7
359.19046	17.7
443.34399	8.7
456.81369	12.9
478.81210	23.9
479.24063	44.5
479.31369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2622
Annotation	Pharboside G
Peak:m/z	Relative Intensity
55.05501	1.4
56.96565	0.8
59.25534	0.7
67.05520	2.0
69.03448	0.9
69.07056	1.2
70.27092	3.2
70.27445	1.2
74.58064	0.7
75.52479	0.8
79.05489	1.1
79.76685	0.8
81.03434	0.8
81.07059	2.8
91.05521	1.4
93.07053	1.3
95.08603	3.1
97.02884	1.4
98.20860	1.0
98.97583	1.3
105.07038	2.2
109.10149	1.8
117.03451	1.1
119.08602	1.4
121.06490	1.0
121.10166	1.3
123.11762	1.0
137.06006	1.3
147.11671	1.5
147.60651	0.8
163.03889	2.9
165.09113	1.8
175.36548	0.8
177.05553	1.9
185.04196	5.0
219.01811	1.0
243.98140	0.9
247.12959	1.0
299.19858	7.2
317.20908	61.5
360.50378	0.8
461.23669	1.8
479.26196	100.0
479.71841	0.9
480.26566	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2644
Annotation	Pharboside G
Peak:m/z	Relative Intensity
53.03933	3.2
55.01866	3.1
55.05506	3.0
56.96076	0.8
57.03428	4.1
57.07068	1.1
59.04981	1.1
59.25243	0.9
60.00902	0.9
61.02930	7.8
67.05502	4.3
69.03436	22.8
69.04978	0.9
69.07055	2.1
69.51938	5.4
71.04998	9.1
73.02911	3.1
76.32446	0.7
79.05499	3.5
81.03436	8.2
81.07075	5.0
83.04986	2.6
83.08654	1.1
85.02912	37.3
85.06544	1.6
86.22939	0.8
87.04474	3.5
91.03954	2.8
91.05484	4.4
93.07032	4.3
95.04964	3.1
95.08613	6.3
97.02898	17.5
97.06528	4.5
99.04449	8.4
104.09789	0.9
105.07044	6.2
107.08615	4.3
109.02198	0.8
109.02899	6.5
109.06523	4.9
109.10142	3.2
115.03967	1.4
117.06973	1.9
119.08591	11.7
121.06487	1.2
121.10154	5.0
123.08039	1.8
123.11700	1.7
127.03920	10.2
129.07030	1.3
131.08545	4.5
133.10146	5.0
135.11707	2.8
137.05960	5.5
143.08578	3.7
145.04971	4.7
145.10182	4.3
147.11700	2.2
147.25189	1.0
149.13242	1.2
154.07872	1.1
155.08571	2.6
156.09444	1.4
157.10133	3.9
159.08055	1.5
159.11752	3.0
161.09625	1.2
161.13257	7.9
165.09175	2.4
167.08615	1.0
169.10184	2.4
170.10941	1.6
171.11719	4.0
173.13297	2.7
183.11707	2.8
185.09665	0.9
185.13263	9.7
187.11197	1.5
187.14859	1.4
195.11702	1.7
199.14777	2.2
203.14363	4.9
204.65347	0.9
205.12233	1.1
211.11232	1.4
211.14915	2.0
213.12848	2.0
224.09068	1.3
237.16505	1.7
239.14243	0.9
255.17393	2.2
263.17905	1.6
263.23721	2.2
269.19809	1.0
276.38727	0.9
281.19028	1.8
281.24768	6.3
299.20111	6.3
301.21640	12.5
317.21140	100.0
318.21680	1.9
391.64560	0.9
479.26443	54.9
489.80728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
53.05858	1.2
55.01874	2.9
55.05512	10.0
57.03444	1.9
57.07079	3.5
66.42095	1.2
67.05174	2.2
67.05509	36.5
69.03443	2.2
69.06772	1.7
69.07075	17.1
71.04642	2.4
71.04996	25.2
71.74536	1.5
75.39938	1.9
79.05495	18.2
81.07064	36.0
83.04974	1.6
83.08616	6.3
85.02901	2.8
85.06535	16.7
91.05470	15.8
93.07045	21.7
95.08612	100.0
97.02884	1.7
97.06520	8.6
99.08072	2.5
105.07024	8.6
107.08606	13.9
109.10157	18.1
111.08085	7.6
113.09653	50.7
119.04961	2.6
119.08595	7.7
121.10155	24.2
123.11724	8.8
123.82066	1.7
133.10161	9.7
135.11703	19.9
137.06007	3.8
137.13295	2.4
139.11215	2.7
147.11697	3.3
149.13287	8.3
161.13240	8.6
163.03830	1.6
163.14798	7.7
165.05577	1.4
175.14828	5.2
177.16489	2.2
179.14371	3.3
189.16400	2.0
193.15988	1.5
197.15343	1.3
197.18967	1.5
218.41734	1.5
223.06160	1.5
245.22665	8.8
263.23709	16.6
281.24756	78.0
296.98743	1.4
299.25848	11.4
312.11029	1.8
317.26837	8.4
325.10828	1.6
344.55890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
54.07486	1.6
55.01883	2.4
55.05269	1.6
55.05519	23.4
57.03432	6.8
57.07086	3.4
58.04894	1.7
61.02925	7.1
65.03925	2.7
67.05511	54.7
69.03433	58.8
69.07079	22.3
70.74226	5.0
71.04990	8.4
72.08157	3.4
79.05496	20.2
81.03425	9.9
81.07063	63.5
83.04982	29.4
83.08633	11.5
85.02903	13.8
85.06542	4.6
87.04465	4.6
91.03970	1.7
91.05500	16.2
93.07053	26.5
95.04953	3.7
95.08611	59.5
97.06535	7.5
97.10187	9.6
99.04488	12.3
99.08096	2.0
103.03952	1.8
103.05507	3.1
105.07059	12.1
106.47787	1.6
107.04913	2.3
107.08604	21.4
109.06519	3.1
109.10161	30.0
111.04447	28.0
111.08072	1.9
111.11700	1.7
114.09167	11.8
117.05502	2.6
117.07030	5.0
119.08597	11.1
121.06518	20.4
121.10153	19.5
122.06822	2.9
123.05537	2.3
123.11745	13.0
127.03880	1.5
129.05492	39.8
129.07010	3.1
131.08562	4.4
131.58170	1.7
131.97754	1.7
133.10164	7.0
134.12289	1.7
135.04408	3.8
135.11714	11.1
137.05959	2.4
137.09615	2.1
137.13251	7.6
139.62985	1.9
142.07793	2.1
142.64514	1.7
145.02866	3.3
145.06509	1.9
145.10161	6.2
147.06531	12.0
147.11748	8.7
149.13263	6.7
151.14824	3.0
153.12665	2.4
155.08670	1.8
157.10138	2.1
159.08151	1.8
159.11700	4.9
161.13264	7.3
163.03946	12.8
163.14796	3.2
164.07062	3.4
165.07628	13.4
165.12766	4.4
167.08528	1.9
173.13261	3.2
177.16383	2.0
179.14290	2.2
185.09691	2.9
187.11308	1.9
187.14865	3.0
191.14374	1.8
201.16505	1.9
209.09740	1.6
209.15485	2.3
213.09148	2.0
223.16899	2.0
224.09178	2.7
225.09311	2.1
243.21133	6.3
261.22122	23.0
266.10321	2.4
267.10474	3.7
277.15549	5.3
279.23218	100.0
297.24304	34.1
299.13690	7.6
301.16388	2.4
312.75073	1.7
327.12967	3.0
407.28152	3.3
415.19055	2.8
425.28925	10.8
443.18451	2.0
443.30026	13.9
479.20612	8.8
479.26410	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	479.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.8
55.05522	30.6
57.07091	23.3
67.05502	28.5
69.07072	69.4
69.61228	28.9
71.05003	25.6
71.08631	17.2
79.05491	10.0
81.07062	80.8
83.08619	42.0
85.10178	13.1
89.06015	6.9
93.07043	16.6
95.04966	5.0
95.08611	76.4
97.10194	43.0
99.04490	10.1
105.07021	8.3
107.08593	14.9
109.06509	18.2
109.10174	40.4
111.11755	35.2
113.06035	8.1
119.08579	5.7
121.10146	13.6
123.11703	36.4
125.05172	7.7
125.05998	89.1
125.13224	9.1
127.03920	33.4
133.08621	6.0
135.11763	5.9
137.06000	100.0
137.13266	15.5
147.11752	4.9
151.07542	14.5
151.14789	10.1
159.11682	5.7
161.13263	6.7
163.14880	6.1
165.16403	4.5
167.07059	72.4
175.11162	5.7
187.11255	6.4
189.12708	5.9
191.17877	5.6
192.33948	4.4
193.12207	7.0
197.08174	12.1
197.39970	4.9
198.10332	7.1
205.12268	5.3
213.12749	9.1
249.68668	4.9
317.31982	8.0
335.33163	5.9
374.92868	4.4
383.33261	7.8
401.34219	7.7
402.11972	4.5
425.34210	8.8
443.35016	7.7
461.36273	6.8
479.35751	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00073	1.9
53.03936	2.4
55.01880	5.2
55.05510	33.3
57.07072	18.8
57.73328	2.1
67.05510	20.3
69.07070	60.6
70.89807	4.5
71.05003	22.1
71.08637	16.4
79.05494	8.7
81.07062	78.3
83.04987	2.4
83.08624	37.3
85.06557	4.2
85.10187	7.6
91.05486	3.1
93.07039	13.2
95.05013	2.5
95.08612	63.5
97.06538	3.1
97.10175	28.1
99.04459	9.6
105.07042	3.8
105.10245	1.8
107.08614	9.8
109.06535	13.1
109.10164	44.3
111.04417	2.4
111.08091	4.3
111.11720	23.7
113.06023	6.7
113.09601	2.2
119.08572	5.9
121.10155	11.1
123.11707	29.4
125.05997	87.3
125.13297	7.6
127.03922	28.1
131.08519	2.0
133.10123	4.0
135.08063	2.4
135.11722	6.3
137.05986	100.0
137.13261	9.7
139.07593	2.1
139.14812	3.3
143.08614	2.2
145.10175	3.5
147.11708	3.4
149.06033	3.6
149.09546	2.7
149.13280	8.6
151.07565	7.2
151.14859	6.7
157.10152	5.7
159.11696	6.6
161.09651	3.7
161.13287	4.3
163.14818	5.4
165.09210	2.6
165.16388	4.3
167.07048	57.0
171.11662	7.9
173.09680	3.5
175.11197	7.4
177.16339	2.1
179.17920	3.9
183.08058	1.9
189.12746	3.8
191.10710	2.2
193.12299	2.2
198.10396	6.1
205.12335	2.8
213.12842	8.7
219.13826	6.1
221.15359	3.0
280.97949	2.5
283.30038	3.0
291.23282	2.3
317.32086	9.5
335.33112	11.6
353.34460	2.8
383.33160	6.6
397.34531	6.4
399.35941	2.5
401.34030	4.7
415.36005	3.0
419.34888	2.4
425.34125	5.7
443.35147	5.9
461.36279	10.9
479.35425	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	479.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70128	3.8
55.01871	8.8
55.05308	3.7
55.05516	40.9
57.07079	30.0
66.86841	4.4
67.05506	31.1
69.07068	92.8
71.05003	27.2
71.08633	24.8
72.31823	3.8
72.71896	3.9
79.05491	14.0
81.07062	96.0
83.08624	57.5
84.39655	3.4
85.10178	10.8
88.85178	3.2
89.06013	6.7
91.05460	9.1
93.07044	18.3
95.08608	84.8
97.10175	38.4
99.04461	11.4
105.07034	10.0
107.04912	3.7
107.08609	19.7
109.06527	19.4
109.10156	60.2
111.08131	7.5
111.11700	27.8
113.05976	5.9
119.08585	7.5
121.06506	6.8
121.10141	16.2
123.04431	3.7
123.08067	5.4
123.11698	29.4
125.06002	81.3
125.13279	18.1
127.03922	32.8
131.08563	6.0
133.08580	4.7
133.10133	5.5
135.08049	5.7
135.11673	10.3
137.05977	100.0
137.09586	4.8
137.13260	16.9
139.07547	53.8
145.10130	6.0
147.11728	5.9
149.05940	4.1
149.09604	12.6
149.13225	6.6
151.07565	22.1
151.14838	8.0
153.09171	4.7
157.10126	8.5
159.11719	12.2
161.09711	7.1
161.13348	7.1
163.11143	4.1
163.14777	7.2
165.05498	12.4
165.09128	10.9
165.16388	7.6
167.07053	59.5
171.11687	6.8
173.09624	6.3
173.13240	4.8
175.07597	5.5
175.11075	9.0
177.09111	66.6
177.12798	4.3
179.07069	11.5
181.08603	8.4
187.11189	5.9
189.12785	4.9
191.17990	5.6
193.08548	8.0
193.12247	6.5
203.14532	5.1
205.12270	16.6
207.13852	3.9
210.69980	4.1
213.12723	7.3
219.13890	6.8
229.45247	5.1
231.13832	7.1
305.21268	4.9
317.31946	8.9
335.32932	8.5
383.33383	7.6
397.34689	8.8
401.34091	15.6
415.35559	15.0
419.35352	4.8
425.34256	22.3
443.35147	43.8
461.36200	51.5
479.35440	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89790	2.3
53.25913	2.5
53.78567	2.5
55.01865	6.7
55.05516	36.0
57.07078	25.2
65.97840	2.9
67.05505	24.3
69.07072	59.9
71.04989	22.7
71.08627	18.6
71.18871	5.5
72.69686	2.4
73.06559	2.7
73.67182	2.5
75.66120	3.5
79.05493	8.7
81.07061	80.4
83.08630	35.1
85.06502	3.4
85.10188	8.0
88.24191	2.4
89.06027	15.7
93.07062	8.7
95.08617	53.9
97.06556	3.6
97.10178	32.7
99.04459	11.0
99.08107	2.7
105.06998	4.8
107.05005	3.5
107.08582	9.7
109.06530	11.5
109.10150	38.0
111.04471	4.7
111.08099	3.0
111.11729	24.3
113.06031	3.9
119.08575	4.1
121.10154	11.6
123.08124	6.2
123.11719	26.0
125.06004	74.2
125.13260	9.2
126.98573	2.3
127.03906	26.2
131.08522	3.0
133.08623	5.8
135.11681	7.1
137.05988	100.0
137.13266	10.7
139.07576	3.1
145.10107	3.4
147.11667	3.3
149.13326	5.6
151.07474	5.9
151.14815	8.2
157.10127	6.9
159.11720	3.2
161.09642	5.7
161.13248	5.8
163.14902	5.7
165.16423	4.5
167.07056	54.9
171.11674	4.5
175.11211	4.7
179.17947	4.3
189.12701	7.3
191.10637	4.7
193.12260	3.6
198.10370	5.0
203.14511	2.9
205.12143	3.4
213.12758	7.2
237.63213	2.8
275.20068	2.7
317.32043	8.8
335.33234	12.4
374.85406	2.7
383.33173	5.5
397.34885	3.9
401.34393	5.6
425.34128	6.4
443.35031	8.3
461.36203	11.1
479.35788	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.2
57.07078	72.6
58.36323	1.4
67.05492	3.2
69.07068	6.2
69.47997	1.4
69.90826	7.6
69.91122	1.6
71.05002	13.1
71.08635	66.1
73.06525	2.0
76.02593	1.5
79.05492	3.5
81.07063	5.0
83.08615	4.0
85.10189	44.6
85.10716	2.4
89.06033	41.5
91.05483	3.0
93.07060	4.8
95.08600	4.8
97.10176	3.2
98.21078	3.5
99.11761	8.1
105.07028	5.3
107.08602	6.9
109.10148	2.8
111.04424	3.2
113.13300	3.9
117.06998	2.7
119.08594	6.5
121.06564	1.9
121.10157	5.9
123.08135	2.6
125.06001	63.4
127.14847	2.2
131.08585	3.7
133.10109	2.8
135.08070	4.8
135.11720	1.7
137.05998	5.3
137.09651	3.6
139.07533	2.7
139.98502	1.5
141.05479	4.4
141.16405	2.4
145.10123	1.8
149.05991	3.7
149.09612	2.3
151.07555	29.7
153.05473	100.0
159.11736	3.8
163.07535	12.1
163.11215	2.9
165.09120	29.5
167.07077	3.8
173.09596	1.6
173.13258	3.1
177.09109	17.4
177.12801	2.4
179.10701	9.8
179.12007	1.5
180.36038	1.5
181.08636	4.0
187.11282	2.5
191.10658	9.4
193.12231	4.2
195.10211	4.6
201.12814	3.1
205.12292	4.7
207.13869	2.5
209.11723	4.7
215.14339	3.6
219.13803	3.8
223.13275	4.3
229.15866	2.5
233.15443	6.2
237.14882	7.0
247.16904	3.3
248.61391	1.5
251.16432	8.1
261.18454	3.7
262.34689	1.7
265.18005	8.6
275.20068	3.3
279.19534	10.3
293.21179	9.1
307.19247	1.8
307.22739	6.3
317.24899	2.5
321.24173	7.7
335.25861	5.3
363.29092	3.7
373.31064	2.1
419.35211	60.2
461.36206	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	17.3
57.07083	84.1
66.57110	2.4
67.05505	11.2
69.03439	2.4
69.07073	35.1
71.08636	71.7
79.05496	10.1
81.07069	37.5
83.04983	11.5
83.08629	17.5
85.06536	4.4
85.10192	51.5
91.05508	3.7
93.07061	28.4
95.08619	30.1
97.06546	8.5
97.10171	17.1
99.08093	6.4
99.11726	6.6
101.06025	32.9
105.07084	3.0
107.08620	23.4
109.06539	8.8
109.10197	15.4
111.08095	7.7
111.11726	9.5
113.09665	3.4
115.07582	7.7
119.08665	2.9
121.10147	19.0
123.11689	11.5
123.23382	2.4
125.05986	6.0
125.09646	3.1
125.13297	5.5
127.07571	94.6
127.14845	3.9
129.05499	100.0
135.11748	13.4
137.13235	4.9
139.07562	5.5
139.11182	4.8
143.07045	10.1
149.13266	21.0
151.14864	2.7
153.12756	7.3
155.14359	2.7
163.14807	12.4
167.14352	9.9
174.24310	2.2
177.16403	7.8
181.15875	5.1
185.11749	5.2
191.14420	2.6
191.17984	10.2
195.17432	4.3
199.13380	3.3
205.19487	5.7
209.15236	2.8
209.18948	5.9
213.14868	3.3
219.20976	3.3
223.20667	5.0
227.16499	4.0
233.22740	3.2
237.18484	3.2
237.22070	5.2
241.18040	3.7
269.21149	5.3
276.50491	2.4
283.22598	3.4
289.28937	11.7
307.30063	14.1
317.28467	3.0
335.29416	5.6
367.68124	2.6
433.36713	2.6
474.70807	2.7
479.38501	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	480.15
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48226	0.4
65.03948	2.3
67.09493	0.4
70.06571	0.6
70.16126	0.4
71.17962	0.6
76.07626	0.5
76.63724	0.4
79.05485	0.7
81.07050	0.9
84.08216	0.5
84.64388	0.5
85.02911	0.7
86.09686	0.5
87.04475	0.9
91.05483	33.0
97.02896	0.6
98.97600	0.6
106.06511	0.5
109.06522	1.3
116.04976	0.5
118.06535	1.0
119.04947	16.0
130.06517	0.7
132.08069	0.6
134.05995	1.0
135.04390	0.5
137.05984	31.8
138.06300	0.7
144.04404	0.8
145.02725	0.4
146.06001	1.6
148.03889	0.8
148.07532	0.5
150.05524	0.5
151.07509	0.7
152.07053	0.5
158.05986	0.7
160.03957	1.0
160.07558	1.8
162.05522	3.3
163.03906	0.5
164.07025	0.8
165.07872	0.5
172.03966	1.0
176.07060	0.5
177.05475	0.5
178.04999	1.2
178.08636	0.4
180.06599	1.0
186.05576	0.8
188.07045	2.6
190.05025	0.8
191.05788	0.5
192.06573	1.8
194.08151	2.7
202.08641	1.0
204.06544	3.7
206.08134	1.1
208.05972	0.5
210.07762	0.4
212.09496	0.5
216.06566	0.5
218.04533	2.4
218.08078	3.4
220.06305	2.4
220.09676	15.0
224.09132	0.5
232.06052	3.4
234.05354	0.6
234.07623	9.9
236.05553	3.5
238.07094	1.3
238.10771	2.3
240.08615	0.5
248.05527	1.1
250.07103	5.7
251.10269	0.4
252.08665	16.8
254.06572	0.6
259.58383	0.4
264.08661	4.3
266.06631	5.6
268.08170	1.4
270.09744	2.3
278.06628	0.6
280.08173	8.8
282.09723	21.8
284.07748	1.0
294.06125	1.1
296.07578	1.7
300.10721	4.4
304.77753	0.4
308.07623	1.6
312.07043	1.1
326.08716	24.1
344.09668	2.2
420.12540	1.2
429.22104	0.5
430.68784	0.5
450.13684	0.5
462.13663	0.6
480.14969	100.0
481.15240	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
56.32120	0.6
56.96551	0.7
57.03410	0.8
61.02944	0.7
65.03952	2.4
67.05511	1.5
69.03432	1.3
70.06595	1.8
71.04988	1.0
71.57030	1.0
71.72690	0.6
79.05502	2.5
81.07067	0.8
83.04993	0.8
84.08162	0.8
85.02902	3.1
85.33875	0.6
89.03934	1.0
91.05476	2.6
93.03409	2.3
95.01337	2.0
95.04974	2.5
97.02905	8.1
97.06517	0.7
107.04960	2.7
109.02901	1.0
111.04466	2.7
113.55520	0.7
117.03391	1.0
121.02879	12.2
121.06530	1.6
123.00780	5.6
124.64942	0.6
125.02316	1.0
135.04427	6.3
139.03931	4.5
141.01819	1.8
145.02866	3.5
147.04439	1.8
149.02359	28.6
149.05922	0.7
151.85919	0.6
153.05484	12.8
155.03441	0.9
162.02209	1.7
163.03925	13.2
164.04312	2.6
165.05492	1.2
167.03412	25.0
177.05481	3.3
179.07011	1.1
181.04976	100.0
191.03416	26.0
205.04955	1.7
209.04478	28.6
219.13916	0.7
223.06038	86.2
224.06483	0.9
227.05511	1.3
233.04474	0.8
241.07121	4.7
251.05594	4.1
262.11084	1.2
265.07120	16.2
268.34128	0.7
269.06555	1.0
283.08154	10.0
321.87259	0.7
343.43082	0.8
448.22101	0.7
480.17383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31737	0.6
56.52752	0.5
59.85759	0.5
61.84475	0.6
69.03439	1.3
70.06588	1.3
71.04980	1.0
71.24222	1.2
85.02911	1.6
91.05495	1.2
93.07082	0.8
97.02901	2.4
105.06979	0.7
107.05009	0.7
115.03952	1.1
133.04936	0.7
137.06035	2.3
145.02881	1.4
151.03896	0.9
151.07538	1.2
158.73425	0.6
159.06865	0.7
161.06006	0.8
163.03957	0.9
165.05490	0.7
167.06981	0.7
177.05492	1.3
198.09105	0.7
212.07040	1.3
214.08614	1.1
216.10121	0.7
218.08186	2.4
219.01785	0.8
220.07747	0.7
224.07103	1.5
224.09177	0.9
226.08633	1.4
228.10361	0.7
230.08043	1.4
232.09583	1.2
238.05028	1.4
242.08063	1.0
244.09740	1.1
245.10490	0.8
246.11348	0.7
248.54286	0.6
254.08141	1.5
256.06076	3.1
256.09802	1.6
258.07599	1.3
258.11325	3.4
259.12482	0.7
260.12820	1.2
266.08212	1.4
268.06042	1.5
268.09708	1.6
269.10480	0.9
270.07434	0.8
270.11438	1.2
272.09265	1.0
272.12790	0.8
276.12436	1.4
280.09720	1.1
281.10718	0.9
282.07730	5.3
282.11227	1.7
284.09311	1.8
284.12766	1.1
286.10809	1.4
296.09244	2.0
297.10007	0.8
298.10834	2.6
300.08762	14.6
300.12296	2.0
308.09357	1.4
310.07050	0.8
310.10782	1.8
312.08929	1.0
312.12424	1.2
314.10361	5.5
314.13727	1.2
316.11795	1.5
318.13379	3.7
318.19788	0.6
326.10199	2.2
328.11899	3.7
330.13550	1.4
332.14941	0.9
336.14548	1.9
340.11865	5.1
341.12753	1.5
342.09741	9.2
342.13562	1.8
343.10480	1.4
344.11218	0.9
344.15042	1.6
346.12750	1.2
356.11273	4.7
358.12936	4.3
360.10751	22.8
360.14532	2.7
368.11359	3.0
370.09122	2.0
370.13062	3.3
371.14032	1.1
372.10516	1.0
372.14578	2.4
374.16028	0.8
384.10739	1.5
385.11630	4.0
386.12509	1.4
387.12903	0.9
388.13977	9.9
389.11111	1.2
397.29318	0.7
399.13135	5.4
400.13910	4.3
402.11356	11.5
402.15701	2.8
403.12393	1.2
412.13904	1.1
416.13428	1.5
417.14154	0.8
418.14926	1.1
420.12177	4.9
420.17511	1.4
430.14978	15.6
448.16031	28.9
460.93100	0.7
462.17657	17.3
480.18759	100.0
481.19028	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	480.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03953	2.0
55.01870	0.4
56.96545	0.6
65.03938	0.5
67.01942	0.3
67.05499	0.7
69.07071	0.6
69.49075	0.4
69.49467	1.9
71.04999	0.5
74.30283	0.3
77.03952	0.6
81.03406	0.6
81.07038	0.6
85.02897	0.6
86.74556	0.3
86.89142	0.3
91.05486	9.8
93.07053	10.4
94.07376	0.3
95.04990	2.2
95.08603	0.4
97.02894	0.9
103.05476	7.7
105.04496	1.0
105.07024	0.8
107.04957	1.4
107.08595	0.5
109.10168	0.4
119.04938	2.2
120.04498	0.4
121.06512	100.0
122.06879	0.8
127.12452	0.3
135.08095	0.4
137.02690	0.3
137.05991	7.4
138.05499	0.7
143.08601	0.3
146.06018	0.5
148.03964	0.6
150.05534	0.6
152.07097	1.0
153.17529	0.3
154.04988	0.3
154.14331	0.3
157.10123	0.5
162.05502	0.6
163.03943	0.8
164.04201	0.4
164.07076	6.1
165.07843	0.3
166.05006	7.6
172.01822	0.3
180.06548	5.6
190.08655	0.6
202.93176	0.3
203.05321	0.4
204.05614	0.3
222.11275	0.4
234.07634	0.7
268.09680	0.5
274.10736	0.7
284.12808	4.5
286.10754	22.9
287.11148	0.4
300.12311	20.5
323.78165	0.3
328.11810	27.8
329.12161	0.5
342.13474	0.8
360.14474	2.1
406.16531	9.7
448.17572	5.6
480.20068	1.4
480.25641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2024
Annotation	Stephabenine
Peak:m/z	Relative Intensity
53.03964	3.4
65.03943	0.7
79.05482	1.0
91.05490	17.8
92.05000	1.7
93.06465	1.1
93.07050	16.7
95.04976	4.5
98.21147	4.0
103.05480	13.5
105.04526	2.3
109.10217	0.7
117.05763	1.8
118.06542	10.6
119.15329	0.8
121.06517	99.8
122.06841	1.3
137.05952	0.7
144.04465	9.8
146.06020	35.5
150.05519	0.8
155.86618	0.6
162.05502	9.6
163.04002	1.3
163.19092	0.6
164.07076	20.2
172.03911	4.1
176.07083	18.9
178.08649	89.8
180.10217	0.8
190.05019	5.6
204.06596	17.0
222.07628	100.0
223.07915	1.1
234.31186	0.8
270.11276	0.9
273.61069	0.6
286.10782	3.9
300.12329	2.2
342.13278	4.6
360.14346	0.9
406.16492	2.3
480.20230	98.8
481.20276	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2019
Annotation	Stephabenine
Peak:m/z	Relative Intensity
51.02377	0.6
53.03947	4.0
53.65512	0.6
55.01862	0.5
66.18151	0.4
69.91391	1.9
71.04989	0.8
77.03922	1.1
81.03436	0.6
81.07041	1.0
91.05486	13.3
93.07043	17.0
93.07632	0.9
95.04976	3.0
98.20737	0.7
103.05470	14.1
105.04501	1.6
105.97076	0.5
108.02496	0.4
121.06508	100.0
122.06841	1.3
135.11679	1.3
141.82011	0.4
144.04437	1.1
146.06017	4.2
153.12741	2.9
162.05568	1.2
163.03889	0.9
176.07077	2.0
178.08646	14.2
190.05093	1.2
196.09674	2.8
204.06575	2.5
222.07628	14.7
232.55559	0.4
240.08862	0.7
283.15421	0.5
298.14368	0.7
316.15240	0.5
324.12411	0.7
342.13364	11.3
360.14365	6.5
462.19208	1.6
480.20206	76.2
481.20526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03949	1.9
56.96579	0.3
57.03433	0.3
66.93508	0.3
67.05503	0.5
70.02959	0.3
70.30471	0.8
71.04970	0.4
77.03934	0.3
79.05486	0.6
81.03408	0.4
81.07046	0.5
85.02904	0.6
91.04959	0.3
91.05480	6.7
93.07048	11.7
94.58209	0.3
95.04969	2.3
95.08636	0.3
97.02885	1.4
98.97530	0.3
103.05472	8.3
105.04509	0.9
105.07041	0.3
107.04971	1.4
107.08599	0.4
114.75450	0.3
120.04519	0.6
121.06509	100.0
122.06832	1.1
126.65053	0.3
137.05949	0.4
138.05489	1.1
143.95406	0.3
146.06052	0.3
148.03972	1.0
152.07079	0.7
155.70850	0.3
162.05525	0.4
163.03909	0.6
166.05009	7.6
180.06570	5.4
190.08720	0.9
192.70946	0.3
222.11316	0.7
233.95705	0.3
234.07533	0.3
259.08542	0.5
268.09711	0.5
284.12827	0.3
286.10745	25.3
287.11179	0.5
300.12311	11.2
311.10709	0.4
328.11813	32.9
342.13495	0.7
357.61801	0.3
360.14426	2.5
406.16486	8.1
406.21613	0.6
448.17603	5.0
449.21637	0.3
462.28998	0.3
471.22626	0.3
480.19894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01868	2.9
57.03442	4.5
61.02932	8.0
63.49150	0.7
63.87345	0.6
69.03433	16.4
69.49126	4.2
69.49537	1.4
71.04993	2.1
73.02908	3.8
80.77160	0.8
81.03418	6.4
85.02911	100.0
87.04469	2.0
91.03969	7.0
91.05493	2.5
93.07059	3.0
95.04952	0.7
97.02898	24.0
99.04458	4.3
101.02340	1.0
102.02650	0.7
103.05482	2.1
109.02896	7.6
115.03945	1.4
116.15952	0.7
117.07047	1.1
121.06514	69.2
127.03925	25.5
131.08600	2.1
141.06996	1.3
145.04973	48.4
145.06430	2.9
151.07542	1.0
157.06537	2.3
159.08057	5.8
161.05949	0.9
163.06027	24.9
163.07324	0.9
169.06561	1.1
171.07942	1.0
175.07629	2.6
179.07025	4.4
183.08093	1.0
185.05992	0.9
187.05882	1.6
187.07555	25.8
187.09137	1.5
189.09186	0.9
200.01949	0.7
201.09192	1.4
205.08623	24.8
217.08691	2.2
229.08630	13.0
235.09785	1.5
247.09706	15.2
265.10727	15.4
301.12903	2.7
325.11429	4.3
501.54611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05500	2.5
57.03440	10.6
58.31465	0.7
61.02922	1.9
67.64474	0.9
69.03086	1.0
69.03431	15.1
69.78951	4.0
71.01348	1.0
71.04996	58.6
73.02908	3.8
75.04478	7.7
81.03412	1.5
83.04980	8.6
85.02910	100.0
87.04438	2.6
88.01827	0.8
91.05478	4.8
97.02908	6.9
99.04436	2.0
103.03969	1.2
109.02852	2.2
111.04476	5.2
119.04937	1.7
121.06562	4.6
123.04494	1.1
123.09216	1.1
127.03929	5.8
129.05486	41.1
131.04890	1.0
133.06522	1.3
137.05978	24.8
145.04959	6.0
145.05949	0.9
147.06523	29.6
149.05968	3.4
151.07521	5.1
155.07024	2.7
161.05959	3.4
163.05975	1.9
164.09155	2.7
165.05473	3.5
165.07567	1.2
167.07056	2.0
175.07520	1.7
179.07043	12.1
187.07550	1.3
189.05391	1.1
195.06503	1.2
197.08189	1.4
203.07121	4.3
205.08611	1.7
207.06500	1.4
221.08115	5.2
229.08560	1.3
241.29695	0.9
245.07867	1.0
247.09666	11.6
255.08578	2.5
263.08987	1.4
265.10651	4.7
273.09650	2.3
301.13232	1.2
309.11664	2.8
349.06183	1.0
378.66068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
54.75554	0.8
55.01870	3.2
57.03447	7.3
61.02925	8.2
69.03433	15.4
69.78101	4.6
71.01342	1.2
71.04978	2.8
73.02926	7.9
81.03423	6.1
83.01347	1.3
85.02911	100.0
87.04462	2.2
91.03969	6.9
91.05492	5.4
91.07104	0.8
93.07026	3.2
95.04943	1.0
97.02898	25.2
98.21481	1.7
98.97575	1.1
99.04448	4.9
103.03976	1.3
103.05474	2.4
107.04967	1.2
109.02881	8.3
115.03931	2.9
117.07056	1.1
119.04963	1.8
121.06515	70.6
127.03929	21.9
128.06255	1.1
129.06905	1.0
131.04962	1.2
131.08560	2.8
133.04935	1.2
137.05989	2.1
139.07552	1.5
141.06966	2.7
145.04970	49.6
151.03972	0.9
151.07550	13.2
155.49423	0.9
157.06514	2.4
159.08037	6.0
161.05988	1.3
163.03915	1.7
163.06029	21.9
167.06975	1.0
169.06441	1.2
169.08627	2.4
171.08069	1.3
175.07509	4.0
177.05502	1.6
179.07079	4.6
181.08681	1.3
183.08078	2.1
185.05980	1.5
187.07549	28.5
201.09187	1.8
202.99724	0.9
205.08632	19.4
211.07439	1.2
217.08635	2.8
229.08626	10.3
235.09651	1.4
247.09705	11.9
254.08011	0.9
265.10724	11.7
282.07526	1.1
282.90536	0.9
300.08685	3.7
301.12820	0.9
314.10187	1.7
325.11343	2.1
340.11884	1.2
342.09702	0.9
343.47495	0.8
360.10767	4.3
388.13852	1.7
399.13092	1.0
402.11661	1.9
430.15125	2.0
448.16028	3.8
462.17520	4.1
480.18893	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	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01866	1.6
55.88103	1.3
57.03439	22.4
58.47036	1.4
59.04996	5.7
62.84248	1.6
67.05502	2.3
69.03435	74.4
69.03814	3.7
69.07074	38.9
69.71117	9.4
71.04959	1.9
73.02900	2.3
79.05489	2.2
81.03415	2.8
81.07069	13.4
83.04979	2.2
85.02911	51.8
87.04475	57.5
88.16185	1.4
91.05474	1.8
95.05013	1.8
95.08594	3.7
97.02898	79.7
107.08611	2.2
109.02864	1.7
109.06540	1.7
109.10181	9.1
113.05979	1.5
115.03938	93.1
123.11721	52.0
127.03929	4.6
133.04974	100.0
133.10094	1.8
137.06017	7.2
140.76721	1.6
145.04955	7.5
150.07585	4.1
151.11195	50.8
165.05411	6.8
166.05838	5.3
167.07034	1.7
169.05008	2.5
169.12215	6.6
181.04941	4.3
201.12869	2.3
219.13774	4.3
223.05980	2.8
229.12225	1.7
241.07076	3.4
247.13345	6.2
259.08215	3.2
260.80374	1.6
265.14465	2.6
277.09064	2.0
283.15378	10.7
313.16440	4.3
362.56290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11036	0.5
53.03942	1.7
55.01882	0.6
55.05503	0.8
55.66417	0.5
57.03436	0.7
59.04990	1.6
59.29721	0.5
67.05508	0.7
69.03418	0.8
69.07079	2.4
71.04997	13.7
71.15669	1.1
73.02943	1.0
73.06561	3.3
76.09612	0.6
79.05491	3.7
81.07062	17.8
91.05473	2.7
93.07051	15.6
95.04981	1.1
95.08607	2.3
97.02874	1.8
97.06504	0.9
101.02380	0.6
103.05466	1.9
107.08597	8.3
109.10165	2.2
115.03922	0.8
121.06518	14.3
135.11703	21.5
153.12761	100.0
161.04483	1.8
163.03920	2.0
164.04289	1.1
178.08684	2.7
181.12277	1.4
184.07481	0.8
211.87645	0.6
222.07643	2.8
247.08054	0.6
342.13388	1.4
360.14658	0.9
409.48340	0.7
480.20233	11.4
494.97134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05502	1.9
57.07064	0.6
59.04989	1.6
67.05501	0.8
69.03433	1.2
69.07056	1.5
69.76258	1.5
69.76664	1.1
71.04996	11.9
73.02914	1.0
73.06551	3.1
73.30269	0.5
77.26518	0.4
79.05492	3.0
81.07061	18.2
83.08653	0.5
91.05482	3.5
93.07050	14.6
94.53247	0.4
95.04981	0.9
95.08612	2.4
97.02891	1.6
97.06550	1.2
97.34319	0.4
98.20789	0.6
98.21360	1.1
101.02355	0.6
103.05453	1.9
107.08597	10.4
109.10140	1.9
111.08126	0.5
115.03944	0.8
121.06506	12.5
131.30786	0.4
135.11700	19.2
145.02884	0.5
153.12752	100.0
154.13055	0.6
161.04492	2.1
163.03906	3.5
163.11133	0.5
164.04272	0.6
178.08667	1.7
181.12296	1.0
183.10176	0.8
184.07402	0.8
184.10432	1.1
185.10585	0.5
200.60367	0.5
222.07599	2.0
283.15335	0.9
342.13275	1.6
360.14389	0.6
480.20074	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	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38478	1.1
53.03946	1.3
55.01861	1.9
55.05504	1.5
55.72777	1.1
57.03443	47.1
57.07070	2.6
59.05003	3.4
60.04546	1.8
61.02933	14.8
67.05510	4.5
68.44269	1.2
69.03436	54.7
69.03817	2.7
69.07075	63.0
69.56139	7.9
71.01368	5.5
71.04998	3.0
73.02924	100.0
75.70171	1.0
79.05492	3.3
81.03417	5.1
81.07064	20.1
85.02912	62.6
86.09756	1.3
87.04466	4.9
91.03955	3.4
91.05484	3.0
92.10395	1.1
93.07037	4.2
94.08772	1.3
95.04965	2.1
95.08609	4.1
97.02902	86.0
98.06067	1.7
98.20827	2.3
99.04458	2.7
101.02342	1.2
103.03949	1.4
105.07043	1.6
107.08589	1.7
109.02888	5.0
109.06514	2.1
109.10143	8.9
115.03941	65.0
119.13004	1.4
121.06507	11.5
121.10098	1.8
123.11719	78.1
127.03936	19.9
131.08620	1.3
133.04971	14.9
138.05502	1.4
144.06567	3.4
145.04982	18.2
150.07651	1.3
151.11192	68.3
162.07669	3.1
163.05965	5.3
163.62967	1.7
164.07040	1.5
169.12265	6.6
180.06551	1.3
180.08810	1.7
193.04941	2.2
223.06042	4.8
241.07060	5.9
259.08109	4.0
283.15399	20.8
295.10196	2.5
300.12332	4.3
313.16443	7.2
365.76572	1.1
399.54968	1.4
480.20096	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3089
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05521	17.4
57.07083	6.0
57.98446	2.5
62.06087	23.0
67.05505	11.6
67.61958	2.3
69.07071	18.4
70.64695	7.1
70.65051	2.4
71.08648	3.3
78.55365	2.5
79.05491	5.9
81.07072	15.2
83.08636	14.8
88.04010	7.1
91.05498	3.3
93.07076	8.4
95.08629	15.7
97.10175	7.5
98.98483	6.3
107.08620	6.1
109.10178	5.7
118.43980	2.5
121.06472	3.1
121.10154	6.4
131.52328	2.4
135.11694	3.3
155.01076	11.3
158.87025	2.2
259.76959	2.7
265.25244	4.3
308.29498	32.0
339.28964	100.0
352.75522	3.0
419.25415	5.2
425.08853	2.8
432.25079	2.7
462.29868	7.5
480.30582	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	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.05493	2.2
56.05033	1.8
57.07057	1.6
58.06581	0.9
59.07401	0.9
60.08165	15.7
61.35226	0.9
67.05486	2.8
69.07056	2.3
70.06561	1.1
71.07386	4.8
71.57269	1.3
72.15101	1.0
79.05471	3.2
80.16790	0.8
81.07045	2.8
83.08627	1.9
86.09711	47.1
88.07648	1.6
93.07038	4.0
95.08578	2.7
97.06518	0.9
98.98463	3.5
104.10754	100.0
107.08596	2.6
109.10123	1.6
119.08543	1.1
121.06460	2.2
121.10131	1.2
125.00018	27.1
127.67664	1.0
163.03874	3.1
181.02550	1.5
184.07356	97.8
207.06509	2.8
215.47197	0.9
256.26257	2.3
258.11292	1.2
349.41306	1.3
462.29935	10.0
480.30807	37.7
481.23074	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.05503	13.2
55.93375	4.5
63.13404	4.2
67.05517	28.2
69.07065	13.3
79.05506	27.1
81.07065	27.3
91.05489	32.1
93.07041	37.5
95.08627	18.6
97.70898	4.7
105.07053	23.7
107.08608	28.0
109.06544	6.8
109.10168	10.7
117.07018	11.3
119.08604	15.5
121.06528	10.5
121.10166	5.9
123.08138	6.3
129.07016	8.3
131.08574	30.3
133.10182	11.0
135.11722	16.9
141.06996	4.7
143.08571	10.4
145.10146	20.1
147.11707	5.5
155.08562	5.9
157.10207	10.7
171.11723	6.2
181.10139	7.2
185.13211	5.3
229.57835	4.7
266.85910	4.9
353.24887	15.0
371.25659	10.0
389.26962	12.1
402.88870	4.8
427.28470	7.6
445.29553	100.0
447.73557	4.8
463.30646	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	480.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.05521	11.1
55.97936	1.4
57.24981	1.6
65.03936	3.6
67.05507	28.9
67.05838	3.3
69.07080	13.1
69.40937	11.5
71.04982	5.3
79.05502	32.5
81.07064	26.5
83.04998	8.1
83.08624	5.3
91.05488	42.1
93.07052	99.1
95.04974	7.7
95.08621	16.7
97.06538	19.7
97.10176	3.6
98.20721	3.3
105.04530	2.2
105.07044	21.0
107.08604	100.0
109.06522	6.6
109.10152	8.4
111.08070	1.9
112.43947	1.7
117.07014	5.6
119.06051	1.7
119.08586	14.0
121.06541	1.8
121.10168	8.5
123.08042	3.8
123.11687	2.2
123.37000	1.6
123.89108	1.6
125.09648	3.9
129.06985	1.8
131.08600	9.7
133.10152	13.4
135.11703	73.5
137.09601	3.8
143.08568	2.6
145.10107	7.8
147.11690	5.7
157.10158	3.3
159.11681	4.2
161.13278	2.4
171.11664	3.3
173.11810	2.0
173.13271	2.7
183.11739	2.0
185.13322	2.0
189.11102	2.0
191.14378	1.7
213.16592	1.8
229.07664	1.6
239.09349	1.5
239.18011	3.7
249.18669	2.6
257.19055	2.9
275.20035	12.2
293.21121	14.1
427.31924	2.4
468.19476	1.6
480.23941	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84623	10.1
81.07047	9.6
93.07075	8.6
95.04960	6.3
105.07040	6.8
121.06528	100.0
146.92166	4.7
159.51384	4.9
306.28006	6.4
308.28696	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	480.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01878	2.4
55.05517	14.7
57.07082	21.7
64.46375	1.4
67.05518	8.8
69.07076	34.4
69.26530	3.1
69.26948	7.6
71.08639	13.9
79.05500	7.2
80.59978	1.3
81.07064	25.4
83.08629	23.6
83.10888	1.3
85.10188	7.8
91.05478	3.1
93.07059	16.2
95.08611	22.5
97.06544	2.4
97.10175	13.6
105.07021	1.7
107.08611	14.8
109.06467	2.5
109.10161	11.4
111.08110	5.6
111.11716	11.6
119.08620	3.0
121.06527	4.2
121.10149	8.1
123.08080	2.8
123.11758	6.5
124.05235	3.8
125.09650	1.4
125.13317	1.6
125.95693	1.3
131.08597	1.4
133.10072	1.4
135.08107	1.5
135.11713	6.3
137.05981	4.6
137.13254	1.6
139.07556	53.5
139.14742	1.5
147.11679	2.8
149.09639	4.2
149.13286	7.3
151.07597	4.5
151.14874	1.9
153.12679	1.3
161.09639	1.4
163.14845	5.5
165.05531	5.6
165.09138	9.6
171.11591	1.5
175.11261	1.9
177.09111	6.3
177.16408	2.4
189.09009	1.4
193.08618	9.3
195.10197	3.8
201.12608	1.2
203.10765	1.7
217.12418	2.3
219.13898	2.5
221.11768	3.9
231.13843	3.5
243.42221	1.3
245.15430	1.6
289.28934	13.9
307.29990	14.0
367.98312	1.4
383.78928	1.4
389.31323	1.2
409.34680	2.1
417.37335	1.6
427.35907	9.2
436.32758	1.4
445.36823	100.0
463.37881	1.4
480.35187	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	481.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01880	0.4
55.05507	0.5
56.96556	0.7
65.03937	0.4
65.57741	0.3
67.05496	0.9
69.07071	0.6
69.79787	1.3
71.04985	0.4
79.05486	0.5
81.07047	1.0
83.04981	0.6
85.02899	0.6
88.01756	0.3
91.04903	0.5
91.05485	9.2
93.06467	0.7
93.07050	12.6
95.04978	2.7
95.08604	0.9
103.05479	8.5
105.04501	1.1
105.07047	0.9
107.08582	0.5
109.06560	0.4
109.10180	0.5
117.03442	0.3
117.06953	0.3
121.06513	100.0
122.06847	1.0
131.08575	0.3
133.10146	0.8
142.07809	0.4
143.08597	0.3
145.10150	0.6
147.11801	0.4
157.10175	0.3
159.11792	0.4
161.09618	0.4
163.03944	1.0
176.50481	0.4
199.07639	0.4
213.05438	0.3
215.07645	0.3
217.05043	0.5
227.07027	0.5
239.07101	0.4
241.05029	1.1
255.06567	0.7
283.05881	0.6
287.05603	0.8
301.07062	1.6
311.05304	0.3
317.35532	0.3
329.06604	4.5
337.71078	0.4
361.09207	3.6
390.52945	0.4
449.12482	1.9
481.15216	0.4
481.27698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1685
Annotation	Bruceine B
Peak:m/z	Relative Intensity
53.03942	0.3
55.87507	0.3
56.90981	0.4
71.54792	0.4
79.05474	0.3
81.07060	0.4
84.08159	0.4
87.04449	0.3
91.05482	0.8
93.07024	0.5
97.02877	0.6
107.08610	0.3
119.19121	0.3
121.06530	0.6
121.10162	0.4
122.03596	0.3
130.41803	0.3
137.05984	4.5
147.04381	0.7
150.05437	0.5
153.05469	0.5
155.03169	0.7
158.86089	0.3
161.06003	0.4
163.03862	0.3
163.77542	0.3
165.05458	0.5
167.06966	0.3
169.04727	0.5
171.02661	0.5
173.04242	0.6
177.05559	0.5
185.04173	0.3
186.06572	0.9
211.06935	0.7
215.05313	1.6
224.09207	0.4
225.09488	0.3
229.06833	0.6
255.09509	1.4
257.06531	0.4
259.05551	0.4
260.67664	0.3
266.10199	0.3
267.10541	0.5
285.11523	0.4
291.08313	0.4
315.12042	0.3
317.08511	2.8
349.12500	1.7
368.17966	0.8
440.13010	0.5
459.99396	0.3
481.16824	100.0
481.25879	2.8
481.27393	2.9
482.17065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93480	0.8
55.05498	1.2
67.05491	1.4
68.24283	0.7
69.07060	2.5
69.82773	1.8
69.83183	3.0
79.05473	3.2
81.07030	3.2
84.69344	0.7
85.02886	0.9
91.05463	3.3
93.07050	4.3
95.04980	1.6
95.08583	2.7
97.02898	1.0
98.21479	0.9
103.05445	1.4
105.07036	4.1
107.04930	0.9
107.08591	5.5
109.02898	0.9
109.10149	1.7
117.06984	2.1
119.08598	9.5
121.06521	11.7
121.10132	0.8
123.08082	0.8
123.11700	1.0
127.00047	0.9
131.08575	1.4
133.10146	10.8
134.93120	0.7
135.07120	0.9
135.08066	13.6
135.11696	1.1
137.05978	1.0
137.09666	0.8
143.08585	0.9
145.04967	1.6
145.06491	0.8
145.10138	2.1
147.11674	1.0
153.09091	1.9
155.08597	0.9
157.10110	1.4
159.08061	1.1
163.07539	1.0
165.05484	2.3
169.10225	1.1
173.09715	1.1
175.14844	7.1
181.08649	1.2
185.09560	1.0
187.11194	1.0
193.10168	0.8
199.09647	2.6
199.11295	0.8
201.09299	0.9
203.05399	1.0
213.09096	2.0
215.10654	0.9
227.05325	1.7
229.08583	1.3
245.06412	5.3
245.08751	1.1
250.99455	0.8
271.04269	2.9
279.13947	0.8
285.16269	0.8
287.03723	2.8
289.05319	100.0
417.20520	0.9
419.20581	1.6
435.21933	0.9
440.88184	0.9
445.20020	1.2
463.19479	34.7
464.20807	0.9
481.20483	29.6
482.21188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.9
53.03957	3.4
57.03432	12.5
59.04991	10.4
61.02927	6.5
65.14790	2.7
66.76874	2.5
67.05502	14.3
69.03425	20.4
69.07063	5.4
69.80676	16.8
70.06584	9.2
71.04982	7.8
73.02916	21.2
74.25012	2.6
79.05493	10.1
79.86037	2.7
81.06644	3.2
81.07067	32.6
83.05003	5.5
84.08129	5.9
85.02897	22.2
85.06518	2.6
87.04462	8.5
91.05485	25.6
93.07045	54.6
95.04941	2.9
95.08610	5.0
96.04519	3.4
97.02882	22.2
98.21037	9.3
99.04482	3.4
105.07046	29.1
107.08606	25.9
109.06519	5.4
109.07641	3.8
109.10167	33.4
111.08089	39.8
115.03939	11.5
121.06532	10.1
121.10159	6.5
123.05575	6.3
123.11723	16.0
124.03957	3.0
127.03950	5.5
131.08540	4.7
133.04953	6.5
133.10138	85.8
135.04399	3.2
137.05969	5.5
141.06599	4.7
145.04965	5.7
151.11201	100.0
163.03923	7.9
169.12254	81.6
187.13306	80.3
273.10889	3.8
333.09476	6.3
393.20279	3.2
398.04416	2.6
463.15701	5.1
481.17062	9.9
481.26157	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	481.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.7
55.05261	2.9
55.05510	29.8
56.24085	1.7
56.96548	2.0
57.03408	2.4
57.07090	14.4
65.03920	2.7
67.05506	34.4
69.06723	3.1
69.07073	55.6
70.86266	5.0
71.04983	6.2
71.08622	5.4
75.06750	1.9
79.05502	9.7
81.03410	2.1
81.07063	100.0
83.05011	2.1
83.08621	32.0
84.04460	1.8
85.02893	6.1
85.06549	51.0
85.10178	4.3
91.05492	12.7
93.07043	13.5
95.08615	86.1
97.02884	6.4
97.10175	28.1
98.97560	5.5
99.08089	12.8
100.11238	6.2
104.28265	1.9
105.07030	3.4
107.08604	20.9
107.88953	2.4
109.10163	61.9
110.59565	1.9
111.11729	18.0
113.09628	6.0
119.04958	3.3
119.66182	1.8
121.06465	4.9
121.10130	15.7
123.11719	38.1
125.09639	3.0
125.13250	4.8
127.11183	3.6
129.12735	3.9
133.02898	3.2
135.11726	19.2
137.05983	36.4
137.13274	24.5
139.14818	2.5
141.12758	3.3
145.02858	3.2
149.13295	13.5
151.14827	12.7
155.14267	3.4
163.14810	10.6
165.05508	4.0
165.16402	8.3
167.07074	2.1
169.15874	2.3
175.89540	1.7
177.05476	5.1
177.16368	8.5
179.07025	1.8
179.17952	1.9
183.17458	1.9
184.13470	2.5
191.17957	8.8
213.22232	10.8
221.22603	3.4
239.23741	5.8
247.24220	26.3
265.08353	2.1
265.25293	39.3
283.26346	58.1
297.11374	2.1
301.27420	38.3
319.28366	5.9
338.08340	16.2
481.16940	2.1
481.37579	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	481.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56924	0.4
60.48174	0.4
69.91458	0.8
69.91870	1.4
81.07065	0.4
82.67509	0.4
85.10178	0.4
95.08617	0.7
97.75037	0.5
105.07048	0.5
106.17427	0.4
137.84093	0.5
156.05478	12.7
157.06235	4.4
158.06192	0.6
184.08905	1.0
185.07791	0.6
188.04388	0.8
188.52765	0.4
189.05231	4.4
190.05582	1.1
197.08058	0.5
203.17902	0.5
205.02939	0.9
207.02527	0.6
251.20992	0.4
317.15305	0.9
318.15884	0.7
319.15445	0.8
320.15826	0.5
334.77307	0.5
350.15051	2.2
351.15714	0.9
352.15182	1.9
368.13635	1.3
369.13431	6.5
481.26071	65.9
481.36478	100.0
482.26572	1.1
482.36926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03942	1.6
55.83822	0.7
57.03434	0.8
61.01190	0.7
61.02942	1.1
62.93842	0.7
63.71407	0.7
67.05485	0.7
69.03430	6.3
70.06588	3.1
71.04977	1.0
71.18453	1.9
78.03451	5.6
79.05494	2.3
80.04996	1.2
80.33506	0.8
81.03419	8.9
84.08177	0.8
85.02905	7.5
87.04459	1.0
91.05484	12.5
94.04212	0.9
95.04945	1.1
96.04491	2.5
97.02881	5.2
98.97569	2.4
99.04472	1.9
103.05456	0.9
106.02919	32.4
107.04939	2.0
109.02885	6.4
110.06004	0.8
110.97571	0.8
112.07583	0.9
117.03371	1.6
119.04953	31.1
121.06508	1.2
122.03690	3.8
123.04346	0.9
124.03961	62.0
124.56094	0.8
127.03934	5.9
131.04909	1.9
133.06450	1.4
135.04396	2.7
136.07640	0.7
137.05984	100.0
138.06378	1.0
145.02873	2.9
145.04982	1.6
147.04416	64.5
149.06004	1.7
151.03949	1.6
151.07513	2.3
161.06009	2.5
161.69695	0.9
163.03879	0.9
163.07590	1.0
165.05490	2.6
167.05849	0.8
167.07054	5.4
177.05498	6.3
179.07037	36.2
197.08096	6.8
219.01711	1.3
222.01816	1.2
227.26158	0.9
230.03027	0.8
237.02740	1.3
245.15186	0.8
250.07133	17.5
250.09744	0.9
266.09634	0.7
268.08167	34.4
285.13458	0.8
289.08459	1.0
302.14157	0.7
320.15109	1.3
362.11185	0.9
416.13626	1.1
425.07556	1.1
434.14471	43.2
450.16855	1.5
464.15549	13.2
482.19162	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	482.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03942	1.6
55.83822	0.7
57.03434	0.8
61.01190	0.7
61.02942	1.1
62.93842	0.7
63.71407	0.7
67.05485	0.7
69.03430	6.3
70.06588	3.1
71.04977	1.0
71.18453	1.9
78.03451	5.6
79.05494	2.3
80.04996	1.2
80.33506	0.8
81.03419	8.9
84.08177	0.8
85.02905	7.5
87.04459	1.0
91.05484	12.5
94.04212	0.9
95.04945	1.1
96.04491	2.5
97.02881	5.2
98.97569	2.4
99.04472	1.9
103.05456	0.9
106.02919	32.4
107.04939	2.0
109.02885	6.4
110.06004	0.8
110.97571	0.8
112.07583	0.9
117.03371	1.6
119.04953	31.1
121.06508	1.2
122.03690	3.8
123.04346	0.9
124.03961	62.0
124.56094	0.8
127.03934	5.9
131.04909	1.9
133.06450	1.4
135.04396	2.7
136.07640	0.7
137.05984	100.0
138.06378	1.0
145.02873	2.9
145.04982	1.6
147.04416	64.5
149.06004	1.7
151.03949	1.6
151.07513	2.3
161.06009	2.5
161.69695	0.9
163.03879	0.9
163.07590	1.0
165.05490	2.6
167.05849	0.8
167.07054	5.4
177.05498	6.3
179.07037	36.2
197.08096	6.8
219.01711	1.3
222.01816	1.2
227.26158	0.9
230.03027	0.8
237.02740	1.3
245.15186	0.8
250.07133	17.5
250.09744	0.9
266.09634	0.7
268.08167	34.4
285.13458	0.8
289.08459	1.0
302.14157	0.7
320.15109	1.3
362.11185	0.9
416.13626	1.1
425.07556	1.1
434.14471	43.2
450.16855	1.5
464.15549	13.2
482.19162	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	482.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67072	0.5
54.40486	0.5
65.03942	0.6
66.04736	0.7
67.01818	0.6
67.05489	1.2
68.99801	3.6
71.12412	1.2
79.05491	2.7
81.07051	2.0
91.05465	2.1
93.03379	0.7
93.60332	0.5
94.04193	1.5
95.04948	1.1
95.08581	0.8
97.02856	0.9
101.59882	0.6
107.04945	0.7
109.06522	12.4
111.04433	0.9
121.02863	2.1
122.03657	3.3
123.00809	1.4
123.04440	0.6
123.20911	0.6
137.05986	42.8
138.06332	0.7
141.01839	1.0
149.02341	4.9
163.03900	0.6
165.05484	100.0
167.03374	2.4
181.04909	1.3
191.03372	1.3
209.04446	4.7
215.63077	0.6
223.06184	0.9
227.05528	0.7
241.07104	0.9
269.06680	3.5
283.08081	4.5
290.14896	0.6
301.09326	0.8
433.11392	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.05494	0.5
55.94062	0.6
56.96552	0.7
57.03416	0.6
62.06068	0.6
63.99520	0.5
65.03912	1.0
66.04723	1.1
67.05503	1.4
68.99799	3.1
69.03426	0.9
69.56017	1.1
69.56413	3.5
79.05502	3.9
81.03375	0.6
81.07051	3.0
91.05464	2.0
93.03408	0.7
94.04176	1.6
95.04967	1.4
95.08588	0.9
98.97628	0.7
106.11665	0.6
107.04939	1.3
107.08563	0.6
109.06531	14.0
109.10137	0.7
111.04428	0.7
119.04978	0.8
121.02858	1.8
121.06478	1.5
122.03631	3.4
123.00797	1.0
135.04427	0.7
137.05983	40.7
138.06308	1.5
141.01811	0.6
145.02875	0.8
149.02354	4.3
161.02957	0.6
165.05486	100.0
167.03406	2.4
167.07076	0.9
174.54254	0.6
177.05466	1.2
181.04968	1.4
191.03346	1.1
209.04480	5.9
223.05963	1.0
227.05598	1.0
241.07016	0.8
250.07727	1.6
251.07346	0.9
268.08658	4.5
269.06540	2.5
269.08829	1.0
283.08099	5.1
301.09048	0.8
433.11441	1.7
467.10309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
54.03454	0.3
55.01887	0.6
55.05497	0.3
57.01928	0.3
57.03445	1.4
61.02927	0.6
61.20747	0.3
67.04240	0.9
67.05525	0.4
67.61420	0.3
68.04660	0.5
68.05032	8.0
69.03429	1.9
69.07065	0.7
71.04993	0.9
71.33070	0.3
73.02920	2.6
77.66773	0.3
79.05479	0.7
81.03453	0.3
81.07066	1.5
85.02424	0.5
85.02914	5.5
87.04466	0.6
91.05484	1.6
93.07047	4.3
95.06097	100.0
96.06430	0.5
97.02900	3.5
97.06527	0.3
97.10136	0.3
99.04439	0.5
103.05486	1.2
105.07026	0.4
107.08601	3.3
109.06455	0.6
109.07629	1.4
109.10155	0.8
112.51095	0.4
115.03951	1.3
119.08591	0.4
121.04012	0.5
121.06509	6.8
127.03917	1.3
133.04993	1.9
135.11711	4.5
141.17717	0.3
145.04967	2.2
150.05530	1.1
153.11514	0.6
153.12752	10.0
163.06015	0.9
164.07082	32.7
165.07878	1.2
166.08632	0.9
180.10176	0.4
206.08133	1.0
224.09224	0.4
226.09692	0.6
241.07167	0.3
244.10828	6.4
258.12399	84.2
259.08270	0.7
259.13089	3.3
267.16052	0.4
270.11288	0.4
270.64133	0.3
286.11905	1.6
295.10269	0.4
298.60065	0.3
300.13394	1.0
302.11337	7.4
302.14490	0.6
315.18124	0.8
364.16553	7.1
389.39249	0.3
396.19272	0.6
406.17804	0.6
408.15463	1.0
429.55939	0.3
438.20349	3.4
482.23267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62084	1.0
57.40089	1.2
66.04706	1.5
67.05504	2.0
68.99799	4.3
70.70160	1.9
70.70491	2.6
79.05489	2.4
81.07052	3.6
91.05482	4.8
94.04209	2.6
94.50702	1.2
107.04941	2.5
109.06516	10.2
119.04920	2.1
121.02879	1.6
121.06532	1.4
122.03635	4.1
123.00741	1.3
137.05991	53.4
138.06390	2.6
139.07257	1.2
148.41264	1.1
149.02380	3.3
154.99644	1.1
160.56859	1.1
165.05486	100.0
166.05907	1.3
167.03406	2.1
170.80341	1.5
181.05057	2.3
182.82553	1.1
188.27225	1.1
209.04459	6.2
223.06137	1.4
227.05540	1.6
241.07091	1.8
269.06674	4.5
283.08228	5.6
328.86957	1.4
433.10992	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55838	0.5
50.61269	0.5
53.03942	0.7
55.05510	0.8
57.03441	4.1
59.04988	1.9
66.74915	0.6
67.05479	0.6
69.03083	1.0
69.03432	15.1
69.07054	1.1
69.32247	5.1
71.04993	12.3
73.06550	2.4
79.05498	3.4
81.03401	1.0
81.06583	1.1
81.07056	13.9
85.02903	12.6
87.03938	0.5
87.04467	10.5
90.56525	0.5
91.05486	1.3
93.07059	9.4
95.08611	1.7
97.02896	15.8
97.06531	1.0
107.08607	6.9
109.10160	1.4
115.03938	24.8
127.03919	1.4
133.04971	24.9
135.11693	16.5
137.06006	1.0
145.04980	3.5
153.12753	100.0
154.13116	0.7
156.62758	0.6
163.06006	0.8
164.04128	0.7
171.13785	1.4
175.06000	0.5
193.78752	0.5
229.07207	0.7
241.07062	1.3
259.08170	2.3
277.09204	1.9
295.10257	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	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14740	0.2
52.60116	0.2
53.03942	0.4
55.01880	0.5
55.05519	1.2
57.03444	3.1
59.05009	2.1
61.02919	0.4
65.03947	0.3
67.05508	0.7
69.03436	14.6
69.07063	1.4
70.89683	0.3
70.90022	0.5
71.05000	10.3
73.02906	0.7
73.06561	2.3
74.22353	0.2
75.04484	0.3
79.05508	2.8
80.69059	0.3
81.03420	0.8
81.07064	13.6
83.04987	0.3
85.02913	11.2
85.03431	0.6
87.04475	11.1
91.05482	1.3
93.07055	9.3
95.04980	0.4
95.06100	1.1
95.08611	2.0
97.02904	14.7
97.06525	1.0
99.04456	0.6
103.03926	0.4
107.07879	0.4
107.08607	7.2
109.02900	0.5
109.06542	0.3
109.07686	0.3
109.10165	1.4
111.04448	0.6
115.03942	23.2
119.08573	0.4
121.06522	0.3
127.03931	1.9
133.04979	24.3
134.05373	0.3
135.11708	17.9
135.94901	0.3
145.04979	3.0
147.56227	0.2
153.12758	100.0
154.13078	0.8
161.04401	0.4
163.06044	0.7
164.07063	0.5
169.04985	0.5
171.13823	1.8
175.06050	0.3
181.16272	0.2
187.06105	0.3
223.05998	0.5
229.07104	0.3
241.07104	1.3
258.12424	1.0
259.08133	2.3
277.09201	1.1
295.10284	2.9
418.82959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.0
57.03437	0.8
57.07077	2.9
58.06586	1.7
60.08167	17.2
67.05497	0.9
69.07072	1.0
71.07376	5.1
71.08627	2.3
71.26852	0.5
79.05488	0.4
81.07059	1.1
83.04951	0.4
83.08628	0.5
84.08147	0.4
85.10182	0.9
86.09708	49.1
91.05497	0.6
93.07056	0.6
95.08598	1.6
98.98479	3.5
104.10747	100.0
109.07622	1.0
109.10162	0.7
121.06476	0.4
125.00010	27.6
127.06819	0.4
163.01576	0.4
166.02715	0.4
184.07346	97.5
191.42221	0.3
258.11050	0.9
299.25851	2.4
307.86792	0.4
460.17383	0.4
462.20978	0.4
464.31366	10.5
482.32462	43.5
483.32538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3246
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
50.39516	0.9
55.05513	3.0
57.03435	3.0
57.07082	21.8
59.39041	0.7
59.77203	0.6
62.05784	1.5
62.06096	23.3
67.05509	5.4
69.07072	4.9
70.07365	3.5
71.08283	1.3
71.08640	17.6
72.04514	1.6
79.05512	1.3
81.07060	6.4
83.08626	3.8
85.10187	10.3
89.06037	10.1
89.56285	0.6
91.05470	2.0
93.07050	2.7
95.08612	8.0
95.37561	0.7
97.10165	3.3
98.21484	1.0
98.98481	5.2
105.07066	1.6
107.08601	2.7
109.10170	4.8
111.11723	2.0
113.13301	1.2
114.77593	0.8
119.08606	1.3
121.10178	0.8
123.11655	0.9
124.01608	0.9
133.08630	5.5
135.11728	1.5
142.02658	2.0
145.10173	0.7
145.65735	0.8
155.01073	6.9
177.11238	2.9
189.48262	0.7
190.48607	0.7
198.05228	1.1
216.06320	3.4
259.67465	0.7
267.26730	0.9
283.17462	4.4
310.31061	11.9
341.30530	100.0
342.30994	1.9
405.29559	0.7
421.27191	7.3
447.31146	4.9
463.19226	0.8
464.31442	4.6
465.32013	2.1
465.38028	3.2
482.32434	2.8
482.39203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01871	2.8
55.05519	13.6
57.03452	1.8
65.92513	1.6
67.05508	26.7
69.03435	1.7
69.07075	14.1
69.35810	3.6
69.36214	11.9
71.04977	3.3
72.08159	9.8
79.05500	29.5
81.07064	33.6
81.22504	1.5
83.04958	2.3
83.08626	6.8
85.06550	5.6
86.09707	1.6
91.05490	29.5
93.07055	100.0
95.04977	6.5
95.08620	16.9
97.06535	6.5
97.10186	3.8
99.08109	10.4
104.10794	1.8
105.04539	1.9
105.07029	16.7
107.08606	95.7
109.06519	3.7
109.07677	3.3
109.10168	13.6
109.84811	1.5
111.08086	2.7
117.07003	2.2
119.08601	11.6
121.10157	17.4
123.08080	3.3
123.11758	2.3
125.09641	7.2
127.66230	1.6
131.08557	5.7
133.10159	8.3
135.11707	77.7
143.08559	2.2
145.10118	7.0
147.11717	4.8
149.13226	5.6
153.12660	2.5
159.11696	4.3
161.13341	4.4
171.11795	3.3
173.13287	2.5
175.14738	2.0
185.13145	1.7
186.06795	1.5
187.14874	1.8
199.14970	1.9
237.64093	1.6
241.19576	2.4
246.88205	2.0
259.20651	5.3
275.20166	5.9
277.21640	20.6
295.22672	17.8
313.27386	2.9
329.24838	1.5
382.33105	1.9
429.33612	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	482.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01927	6.5
67.05492	19.9
69.07071	16.4
69.72604	13.1
69.73015	33.3
79.05495	13.7
81.07069	18.0
83.08620	8.9
86.98572	6.9
91.05473	9.7
93.07032	20.1
95.08611	43.1
98.20737	7.8
105.07017	25.3
107.08585	34.4
109.10125	18.5
117.07008	8.9
119.08562	36.2
121.10145	19.0
123.11724	8.9
133.10162	14.9
135.11699	17.9
145.10104	29.1
147.11671	10.1
159.11775	22.6
161.13234	11.1
163.14799	9.8
171.67216	7.8
173.13191	9.3
175.14896	9.6
187.14832	13.0
189.16365	12.9
191.17923	31.6
198.21039	7.2
201.16467	7.5
215.17976	12.3
233.19067	18.1
301.87073	8.0
301.96594	7.4
423.36212	27.1
482.33572	100.0
483.35294	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	482.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.7
58.57244	0.9
69.32172	6.7
83.12016	1.0
98.21458	1.6
98.97579	11.4
116.98639	5.4
132.96556	0.8
134.99648	1.8
170.64865	0.9
174.97667	5.9
192.98752	2.3
198.97647	1.1
214.95641	8.8
216.98724	5.1
217.73569	0.9
227.72047	1.0
232.96684	16.0
233.38750	0.8
234.99770	6.0
238.95590	0.9
240.98940	2.0
250.97794	8.7
256.96707	35.6
257.96866	0.9
258.99939	9.5
261.03113	1.7
274.97757	62.8
275.97968	2.1
277.00989	6.5
278.00958	1.2
280.96713	2.9
282.99982	13.5
283.99936	1.6
284.99988	1.8
292.98846	6.9
297.99393	1.1
298.97757	85.3
299.97845	2.2
301.01071	17.1
302.01422	1.3
303.01132	1.3
316.98828	100.0
317.99097	3.5
318.99243	1.2
332.96790	1.4
334.99942	2.5
340.00476	2.4
340.98959	3.1
356.96921	2.1
359.00034	9.0
374.97849	3.5
380.96887	1.7
398.97885	6.3
401.01074	2.4
416.98935	12.6
422.97754	6.9
425.01105	1.8
440.98953	90.7
441.98999	5.4
443.02512	4.0
451.81311	1.0
458.99939	79.0
460.00009	3.8
477.00928	1.1
482.01541	4.9
483.00302	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	483.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
57.03433	4.3
57.07060	1.3
59.04995	3.7
69.03430	13.6
69.07062	5.0
70.82800	2.5
71.04996	12.9
73.06562	1.9
79.05497	5.0
80.44172	1.6
81.03391	1.7
81.07060	15.9
83.21152	1.3
85.02911	14.0
85.06593	1.6
87.04488	6.9
93.07062	10.3
95.08598	2.7
97.02897	13.6
107.08592	10.2
109.10180	2.9
115.03930	16.9
125.13298	1.6
127.03919	2.2
133.04967	16.4
135.11719	21.3
145.04965	2.9
153.12755	100.0
165.12630	1.8
171.13860	1.6
262.14035	1.6
288.91895	1.7
295.10028	1.7
452.23395	1.6
483.14554	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
55.10843	1.0
57.03432	4.5
59.04998	2.7
67.05501	2.2
69.03432	15.0
69.07074	3.9
69.87407	4.4
71.04995	12.3
73.06552	3.5
79.05495	3.5
81.03411	2.0
81.07063	15.0
83.08640	1.1
85.02909	14.0
85.06569	8.4
87.04485	8.5
91.05476	2.7
93.07047	12.9
95.08604	4.2
97.02903	15.0
97.06520	3.4
98.97598	1.7
99.04481	1.0
105.07050	1.2
107.08614	10.4
108.16148	1.1
109.02895	2.4
109.06541	1.1
109.10136	3.0
115.03941	14.7
119.08578	1.6
121.10152	1.2
123.21669	1.1
127.03939	2.8
133.04988	15.2
135.11717	21.9
137.06018	2.0
145.04955	2.9
147.04430	1.2
153.12756	100.0
154.13115	1.1
162.05469	1.8
190.33751	1.2
208.81306	1.1
219.01913	1.2
277.09201	1.7
295.10321	1.5
307.24109	1.2
315.18030	1.9
409.73157	1.1
483.13876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49733	1.1
57.03432	3.2
57.07080	1.2
67.05513	1.2
69.03440	5.2
69.07063	3.5
71.04996	14.3
71.56167	1.4
72.75701	1.0
73.02919	7.9
73.06554	4.0
79.05487	4.4
81.03410	1.3
81.07059	18.5
83.08617	1.1
85.02905	11.2
87.04491	1.3
87.08159	1.0
91.05505	1.8
93.07040	13.8
95.08591	1.8
97.02898	10.0
97.06522	1.8
98.19361	1.1
105.07065	1.3
107.08605	10.8
109.02836	0.9
109.10130	1.2
110.58065	1.0
115.03939	5.0
115.25965	1.0
119.08584	1.6
127.03909	3.7
133.04959	3.1
135.11694	20.0
142.03218	7.3
142.88316	1.1
145.04977	2.9
153.12752	100.0
154.13042	1.3
163.06030	1.1
167.06976	1.0
170.02687	2.7
222.35997	1.1
223.05977	1.6
243.08971	2.7
245.05963	3.2
259.08307	2.1
261.10074	4.7
279.06702	1.6
295.10312	1.5
297.07819	1.7
315.17975	2.2
390.79318	1.0
447.22510	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
63.11588	0.3
69.81634	1.4
75.03153	0.4
91.05492	8.3
93.07052	11.0
95.04976	1.7
98.98472	6.6
103.05474	8.5
105.04510	1.2
115.05479	1.1
116.68195	0.4
117.05782	0.4
117.07037	1.0
118.06553	1.4
121.06518	47.7
125.00018	15.6
142.06602	1.1
143.07271	1.3
144.04462	1.2
144.08076	3.0
146.06024	4.3
162.05540	0.7
162.09094	0.4
170.06044	3.7
172.03911	0.4
172.06145	0.8
172.07597	12.4
176.07103	1.3
178.08665	9.2
188.07092	3.8
190.05063	0.5
190.08618	2.5
196.09752	1.1
198.05539	1.9
201.03204	0.6
202.08640	7.7
204.06505	1.7
204.10216	49.9
216.06499	2.9
220.09720	1.0
222.07852	2.5
222.11247	9.0
230.08134	6.1
234.07561	0.7
240.12187	0.5
248.09203	19.9
266.10229	2.1
270.05121	0.7
286.04849	0.6
300.06421	1.6
302.07901	7.0
314.04248	2.1
320.08936	1.3
328.05832	2.7
332.05341	0.5
333.14429	0.7
339.48404	0.4
346.06909	31.3
351.15427	0.5
364.07941	1.9
386.15988	5.3
404.17020	1.9
466.12640	2.9
484.13736	100.0
485.14288	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
56.96567	1.4
57.03436	1.1
58.29821	0.9
59.42347	0.9
69.03432	1.1
71.57978	2.0
78.12634	0.9
79.05492	1.0
81.07056	2.2
85.02896	2.2
87.04475	15.1
91.05463	3.7
93.07026	3.5
95.04964	1.2
95.08604	2.2
103.05441	2.1
105.07037	1.8
107.08562	1.5
109.02645	100.0
109.10136	1.3
119.08556	1.4
121.06524	19.8
122.06823	1.5
126.89331	1.0
137.05981	4.0
139.61934	1.0
139.88007	1.0
144.32092	0.8
164.07088	8.1
166.08649	6.6
173.16280	1.0
196.09714	15.5
218.07924	2.3
223.14291	0.9
237.02869	1.2
267.08688	1.0
272.08966	16.8
282.13351	15.5
304.11554	71.0
322.06174	2.0
366.13132	32.8
452.16827	23.5
452.22723	1.1
484.13446	1.8
484.19678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95790	0.5
53.03951	0.8
54.07714	0.5
55.64088	0.6
56.96567	1.3
57.41363	0.6
60.35827	0.5
67.81237	0.5
69.03438	2.0
70.06595	100.0
70.68415	0.9
71.05007	1.0
81.03421	3.4
83.04955	0.6
85.02904	4.8
87.04469	1.2
97.02905	2.6
98.97586	3.7
109.02870	4.7
112.07611	95.1
116.07114	2.8
116.98646	1.2
120.08105	6.5
120.36315	0.6
120.45443	0.6
126.47726	0.5
127.03949	2.8
128.98593	0.8
136.06197	0.8
137.05954	1.0
140.07076	57.4
141.43852	0.6
145.04938	0.7
147.04442	0.7
152.75970	0.6
158.08130	17.8
158.99660	1.2
163.03918	3.9
164.04260	0.6
166.08638	2.9
167.07086	0.9
177.00710	0.7
177.05524	1.2
200.09193	0.8
201.00725	0.8
219.01813	1.5
230.10210	1.4
237.02809	1.7
241.03598	0.9
265.06415	1.2
266.07791	0.8
266.10193	2.9
274.06912	0.8
284.11328	16.4
302.12390	6.6
346.56955	0.5
424.11917	1.6
448.18271	0.8
466.19073	0.9
484.15051	1.4
485.16211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76244	7.2
54.85145	7.3
55.05498	15.9
55.80234	6.8
67.05496	13.9
69.07066	18.4
71.27921	13.9
79.05485	8.5
79.09529	7.6
81.07062	44.5
83.08624	9.2
91.05493	12.8
93.07052	32.9
95.08614	94.5
105.07006	32.5
107.08619	61.0
109.10166	65.4
119.08601	33.8
121.10182	59.0
123.11721	24.4
133.10173	20.3
133.83965	7.0
135.11743	40.9
137.13277	9.8
147.11684	26.7
149.13272	30.4
159.11696	8.9
161.13293	16.3
163.14734	32.7
170.47775	7.5
174.26559	7.1
175.14819	24.4
177.16397	24.2
187.14720	10.7
189.16338	11.9
191.17921	100.0
203.17926	29.5
205.19548	8.4
215.17981	8.5
217.19576	53.1
221.18951	16.9
235.20528	48.3
263.98309	8.1
270.06277	6.7
368.14059	8.4
394.23727	6.9
395.36652	11.1
407.36630	12.0
413.37726	23.0
421.87335	7.4
425.33130	7.5
425.37866	75.5
443.38840	37.4
458.05432	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	484.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	18.6
69.07076	10.2
71.40898	10.1
79.05469	11.0
81.07069	21.1
91.05464	6.4
93.07047	27.3
95.08612	75.4
97.10165	11.6
105.07031	13.7
107.08582	35.4
109.10168	51.9
115.24832	5.7
119.07763	6.4
119.08592	24.1
121.10152	51.6
123.11717	24.0
125.09641	7.5
133.10124	21.9
135.11685	27.1
137.13232	7.0
145.10095	9.1
147.11681	18.0
149.13269	23.5
161.13216	20.8
163.14818	22.9
175.14836	17.5
177.16444	27.0
187.14816	9.3
189.16397	17.2
191.17955	100.0
203.17937	21.9
205.19579	9.9
207.17445	12.5
215.18053	6.7
217.19493	49.7
221.18924	13.2
235.20564	52.7
247.98288	5.8
395.37012	13.4
413.37750	23.3
425.37772	86.5
443.38904	41.4
454.38748	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	485.106
Annotation	Rostratin C
Peak:m/z	Relative Intensity
54.92763	0.8
56.96561	3.4
66.92361	0.9
69.98833	3.1
70.06594	1.8
82.69840	0.8
84.96043	2.7
85.02875	1.3
91.05503	1.0
97.02937	1.5
98.97598	12.7
110.97601	2.5
112.99146	1.5
116.98636	2.9
117.61858	0.9
121.06489	1.0
124.99125	2.7
128.98596	1.0
129.10239	1.2
130.58365	0.9
137.06003	2.9
143.00172	3.4
147.04417	1.2
157.24586	1.0
158.99655	7.1
161.01202	2.3
167.07050	0.9
170.99666	1.7
177.00757	4.0
179.00172	1.0
185.01225	2.8
189.00813	2.5
190.15761	0.9
195.01523	0.9
201.00787	1.8
203.02341	2.2
207.06479	1.2
219.01811	7.3
227.02261	1.1
235.61479	0.9
237.02824	1.2
245.03279	1.3
291.10199	1.2
333.05093	3.0
485.10590	100.0
486.10855	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
56.96563	1.1
57.03435	1.1
60.37344	0.4
61.02925	1.0
69.03436	3.8
70.95731	0.6
70.96041	0.5
71.04984	1.4
73.02917	1.3
73.55267	0.4
77.43088	0.5
81.03408	1.8
81.04567	1.0
81.77039	0.5
82.99875	0.4
83.04955	0.6
85.02908	8.8
86.51804	0.5
87.04468	1.1
91.05479	0.9
97.02882	3.1
98.97605	4.1
99.40857	0.4
101.00893	5.0
109.02848	0.8
110.97587	0.5
113.00881	0.7
116.98655	0.7
119.01935	4.7
119.04924	1.1
120.95437	0.6
121.06525	0.8
122.03645	0.6
127.02400	0.8
127.04019	2.1
127.04823	0.6
128.98581	0.5
131.00188	1.0
131.01904	0.9
131.04939	1.5
133.03581	0.6
133.06519	0.6
135.04434	0.7
137.05956	3.3
138.06357	0.5
138.96445	1.6
139.02422	0.9
139.18327	0.5
143.01924	2.9
145.03471	1.6
145.04953	1.1
147.04399	1.9
155.01918	0.7
156.97501	7.8
157.03493	5.0
158.99666	0.8
161.02960	2.1
161.06050	0.9
162.56189	0.4
163.03838	2.8
163.07547	0.6
165.05482	0.7
167.07051	1.7
174.98563	4.6
175.04581	1.4
177.05482	0.9
180.97488	3.9
185.02960	0.8
194.99104	3.0
195.05035	1.2
198.98547	18.1
199.00340	1.1
199.07913	0.5
199.98662	0.5
201.06082	1.1
203.02165	0.5
203.03973	0.9
205.05614	2.1
210.98592	2.0
213.00125	10.4
216.99614	1.7
219.01790	0.9
219.05141	0.5
221.05103	1.1
223.04709	0.8
223.06659	5.5
225.00110	1.5
231.01407	0.9
237.00117	0.5
237.02861	1.2
237.06082	0.8
239.04440	1.1
241.07819	0.5
245.05034	0.9
255.07108	0.7
265.07736	1.3
267.07382	0.8
275.06265	0.6
285.02188	3.9
297.08191	0.5
303.03278	100.0
304.03424	2.0
304.08313	0.6
305.03183	1.3
305.07330	0.6
307.08600	0.5
313.08667	1.4
319.08682	0.6
319.99393	0.5
321.04501	0.9
321.10388	0.7
323.09952	0.7
327.09970	0.5
339.09235	3.1
367.10846	1.4
371.11624	0.6
375.09778	0.5
387.13510	1.7
394.11322	0.5
485.16760	13.7
486.16498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1269
Annotation	SCHEMBL2576454
Peak:m/z	Relative Intensity
69.03406	0.7
70.06587	0.7
70.68754	1.1
70.69093	0.5
85.02910	0.6
90.29789	0.5
98.97563	1.3
116.65218	0.5
132.57384	0.5
137.05904	0.9
168.93916	0.5
181.52007	0.5
201.59526	0.5
203.05255	2.9
208.14584	0.5
214.87341	0.5
249.03734	1.3
291.04764	23.4
299.38962	0.6
305.06451	4.4
307.07980	0.9
323.07388	69.4
324.07614	1.0
425.09970	1.0
425.15152	0.9
443.11047	0.5
485.12674	100.0
486.13150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1634
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
50.15112	0.3
51.66718	0.3
52.62409	0.4
59.61100	0.4
61.76072	0.3
70.06585	0.4
70.83480	0.7
70.83823	0.6
85.02899	0.5
110.34125	0.4
113.08973	0.3
119.01845	0.4
121.06493	0.6
126.05610	0.3
133.34869	0.4
163.03900	0.4
176.30939	0.3
213.25188	0.3
323.10684	0.9
485.16345	100.0
486.17126	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1638
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
53.03951	0.3
55.08738	0.3
56.96558	0.4
57.03427	0.3
64.64320	0.3
65.50298	0.3
69.03434	0.8
69.82556	1.5
81.03402	0.4
85.02917	3.1
86.74646	0.3
91.05488	0.9
97.02876	0.8
98.45570	0.3
98.97591	1.5
107.04975	0.4
121.06511	2.2
128.94009	0.3
128.98601	0.4
137.05943	2.4
145.04976	0.7
172.03993	0.9
177.00801	0.4
179.04707	0.4
187.04478	0.9
188.05167	0.3
188.19228	0.4
200.95523	0.3
211.02805	0.5
214.04903	0.4
219.01825	0.9
237.02878	0.4
237.06064	0.8
245.05769	1.2
246.06514	0.5
253.03957	0.5
259.06625	0.4
260.07355	0.6
268.06985	1.1
305.07684	0.6
323.11053	8.6
328.10233	0.4
339.07620	0.7
355.07089	0.7
373.07748	0.9
400.09311	0.4
485.16348	100.0
486.16815	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1635
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
51.95135	0.2
53.41074	0.2
60.21318	0.3
67.10884	0.3
68.92542	0.3
69.97073	0.5
69.97482	1.0
85.02907	0.4
92.55843	0.3
109.67794	0.3
116.91368	0.3
117.60939	0.3
121.06499	0.6
147.04486	0.5
215.99207	0.3
293.11075	0.3
322.77747	0.3
323.11026	1.3
339.10449	1.7
373.50058	0.3
485.16342	100.0
486.16623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.05518	0.8
57.03446	5.1
59.37794	0.5
61.65496	0.6
64.26902	0.6
69.03426	2.9
69.88160	1.1
69.88579	2.9
70.06599	0.7
71.01324	0.9
71.04998	30.1
73.02912	1.0
75.04475	1.9
78.08726	0.6
81.03423	2.3
81.07065	1.3
83.04975	1.9
85.02908	31.4
85.06490	0.8
87.04453	1.2
89.03925	5.6
91.05499	1.7
92.92421	0.7
93.07050	0.6
94.04185	0.8
95.05007	0.9
97.02908	6.0
99.04476	2.3
103.05441	0.9
106.02937	0.9
107.04977	0.9
109.02874	1.3
111.04442	2.1
117.03394	15.0
117.04232	0.7
123.04433	0.9
124.03947	1.4
125.04313	1.2
127.03947	2.8
129.05495	6.7
131.04924	1.1
134.03651	1.4
135.04382	1.3
137.05991	9.1
145.02856	42.6
147.06497	1.2
149.04242	0.7
149.05992	5.2
149.09552	0.7
151.03996	0.8
161.06017	1.5
163.07526	1.5
174.06763	0.7
175.07576	2.0
177.05487	100.0
179.07100	4.2
182.00690	0.7
186.05560	0.7
187.07475	0.8
187.82466	0.7
189.05444	1.0
191.07030	1.6
195.06656	1.0
199.07501	0.9
203.07062	1.1
205.04993	0.8
207.06531	0.7
217.08592	1.4
231.06425	1.1
245.08109	1.1
255.89574	0.7
259.09598	1.9
268.08228	0.8
269.08322	0.9
287.09143	2.8
291.10144	0.7
305.10269	1.6
321.09607	2.3
323.11142	1.3
339.10745	6.5
349.18326	0.6
401.60858	0.6
467.17575	0.8
485.14221	1.0
485.19559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1922
Annotation	Naucleofficine C
Peak:m/z	Relative Intensity
53.03938	1.2
57.03432	1.0
58.18861	0.8
61.02917	1.7
69.03439	5.6
70.95155	1.0
70.95483	1.6
75.78239	0.9
81.03418	1.3
84.33202	0.9
85.02911	8.9
91.05462	1.0
97.02879	4.1
98.97610	1.1
99.04469	1.0
109.02684	1.7
112.95064	0.9
115.05444	1.0
121.06524	1.1
127.03908	1.8
130.06535	51.8
133.06464	0.9
142.06583	1.0
144.04430	1.9
144.08101	1.7
145.05058	1.2
146.06004	1.6
155.06052	1.1
158.04599	0.9
158.05939	1.0
159.11714	0.8
162.05606	0.8
164.07053	0.9
174.05496	4.6
175.06306	2.8
176.07097	7.5
188.07095	3.1
190.08652	0.9
206.08139	22.2
207.09157	1.0
233.10892	1.5
235.08780	1.3
245.10759	1.6
248.09328	1.7
260.09409	1.0
261.10287	1.9
262.08447	1.0
262.11060	1.0
273.10150	4.0
274.11053	2.6
275.08188	2.5
276.12814	0.9
277.09845	1.6
278.10330	4.4
289.09711	3.0
290.10516	10.3
291.11160	2.9
294.11301	3.8
295.14514	1.4
305.12820	22.4
306.11053	0.9
310.61310	0.8
317.08389	2.4
322.13034	1.8
323.13919	100.0
324.14404	1.6
365.15030	1.7
368.13324	1.9
395.02655	0.9
414.71097	0.9
485.19336	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1998
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
68.70699	0.3
69.03439	0.6
70.96967	0.5
70.97299	0.5
79.05528	0.4
81.07061	0.6
82.02924	0.3
83.04992	0.4
85.02921	0.4
91.05463	0.7
94.96217	0.4
95.04977	0.3
97.02898	0.3
100.36241	0.4
105.07030	0.5
107.08619	0.5
119.04877	0.4
121.06520	0.8
121.10078	0.5
123.11668	0.4
130.06569	0.7
133.10138	0.4
135.11728	0.4
137.05945	0.5
141.02144	0.3
166.05070	0.8
167.07091	0.7
168.07283	0.5
174.44963	0.4
176.07005	0.4
180.06438	0.4
185.04221	0.8
223.05995	0.4
229.06851	1.0
317.08435	29.3
323.13901	2.0
335.09195	0.3
362.50885	0.4
485.19977	100.0
486.20239	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1997
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
59.94253	0.3
69.03429	0.5
69.07046	0.4
71.57561	0.5
79.05520	0.3
81.07063	0.5
84.08138	0.7
85.02891	0.7
91.05485	1.4
93.07066	0.8
95.08599	0.4
105.07020	0.5
107.08567	0.3
110.61990	0.3
119.08594	0.4
121.06508	1.6
123.08059	0.3
130.06519	1.8
133.10185	0.5
135.11705	0.3
144.08101	1.0
147.04413	0.8
157.10172	0.3
164.07050	0.7
180.24637	0.3
185.04248	0.7
193.16153	0.3
206.08136	0.6
229.06815	1.2
278.10275	0.4
289.09775	0.3
294.11261	0.4
305.15219	1.7
317.08447	24.7
323.14032	4.2
335.09354	0.6
343.13361	0.3
485.19974	100.0
486.20389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56569	0.7
53.03912	0.8
56.96545	1.3
57.03410	1.0
61.02903	1.3
64.02079	0.7
69.03397	2.4
79.05486	1.1
81.03394	0.9
85.02921	5.1
89.98460	0.6
94.06543	1.5
97.02847	2.0
97.98367	0.7
98.97598	3.6
108.08118	6.6
109.69118	0.6
110.06047	1.8
116.98647	1.4
118.06549	1.8
119.07331	1.9
120.08154	3.5
120.08839	0.7
122.06015	1.7
123.06813	0.9
124.07625	4.9
127.03890	0.9
128.98569	1.5
134.27325	0.7
136.07585	31.5
137.05943	1.8
142.08630	4.1
146.05980	2.9
147.06743	0.8
148.07545	2.6
154.08623	1.3
164.07068	17.4
167.06978	1.6
173.10696	2.3
174.07867	1.0
177.05482	1.2
181.08781	1.3
191.03893	0.8
192.04587	0.7
198.11469	1.5
201.10240	3.6
211.08655	1.2
212.09409	1.0
213.10193	2.7
213.13882	2.0
213.27899	0.7
219.01709	1.4
224.10683	1.1
225.10220	1.3
226.11061	4.6
237.02855	1.6
239.12009	1.0
240.12628	1.3
241.09619	3.1
241.13379	14.3
246.11507	0.8
254.10539	1.6
255.05685	0.9
259.14429	16.6
269.12866	27.8
287.13919	22.0
290.08246	0.8
305.14963	100.0
306.15311	0.8
436.51712	0.8
443.08636	1.3
462.97394	0.7
467.20459	1.0
485.10654	1.6
485.16315	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	485.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
57.03435	4.0
57.07072	6.3
61.02916	1.2
67.05510	9.0
69.03436	8.1
69.06723	1.6
69.07073	20.9
70.06574	2.9
70.18846	4.4
71.05009	6.3
71.08629	1.8
79.05504	4.6
81.04565	1.1
81.07063	95.7
83.08622	4.9
84.08141	2.0
85.02917	12.4
85.06548	33.7
87.04465	3.4
91.05526	1.6
93.07052	1.5
94.72429	1.0
95.08614	45.4
97.02897	9.2
97.10184	1.8
99.08099	20.6
109.02905	1.2
109.10181	5.0
111.11727	3.4
115.03941	6.6
125.09626	1.5
125.13267	1.7
127.05037	1.2
133.04997	5.3
134.06212	1.2
137.06039	4.8
137.13266	30.6
138.62781	1.1
143.08167	1.4
143.14275	5.1
145.02769	1.2
145.04875	1.6
147.04384	1.6
151.07578	1.2
155.14319	82.3
163.03925	1.9
167.07111	5.1
173.15392	100.0
177.05449	1.7
191.16435	60.7
193.08530	1.3
221.04752	1.8
353.21655	3.0
485.15515	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	485.288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10424	0.7
55.05529	2.4
57.03445	6.6
57.07079	22.2
57.72873	0.6
67.05511	5.4
68.59061	0.6
69.07088	4.1
71.08640	16.3
71.48392	1.0
78.26918	0.6
81.07065	7.0
83.08632	5.7
85.10190	9.7
87.04491	0.9
89.06091	1.2
95.08610	9.8
97.10209	2.3
98.98472	16.4
105.07037	1.0
109.10154	4.5
111.11746	1.0
123.11736	2.9
131.83875	0.6
137.13329	1.1
144.07990	0.8
155.01062	8.5
172.80153	0.7
173.02164	2.1
239.23788	2.1
247.05923	1.3
257.24869	1.3
313.27390	100.0
314.27722	1.6
362.86401	0.7
393.24069	1.0
449.26730	5.5
485.21878	1.5
485.28619	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	485.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
56.96572	5.2
57.03407	0.5
59.65387	0.4
59.86498	0.4
67.05495	1.1
69.07054	0.6
69.89178	1.9
70.06560	0.4
71.95261	0.5
72.38471	0.4
76.42247	0.4
79.05495	1.3
81.07059	1.1
91.05468	1.1
93.07051	3.2
95.08586	1.2
98.21487	0.5
98.97579	0.4
102.92611	0.8
105.07033	1.1
107.08557	2.1
109.10162	0.8
110.97591	0.9
118.92086	2.2
119.08559	0.8
121.06503	0.4
128.98637	1.1
135.11676	0.9
136.93126	5.2
145.10114	0.6
146.99709	0.6
150.94553	2.9
150.95798	2.4
154.94176	5.6
159.11719	0.5
168.95749	10.5
172.95253	5.3
177.95871	0.6
186.96803	22.7
190.96260	1.2
191.97394	1.2
195.96860	0.8
204.97881	8.7
209.98389	3.0
210.96835	1.7
212.98314	0.4
213.82661	0.4
224.98425	2.5
226.99849	0.9
227.09827	0.5
227.99464	1.0
228.97824	2.1
233.00055	0.7
242.99419	3.4
266.01059	0.8
279.12762	0.9
315.16330	0.9
317.17899	27.5
333.20395	24.9
335.18973	7.8
353.19769	0.5
358.20706	3.7
373.20364	1.3
411.16165	2.4
425.17499	2.7
453.17181	8.4
467.18848	2.7
471.18222	10.5
485.20078	11.3
485.32407	100.0
486.20068	0.5
486.32669	1.8
494.19928	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	485.3265
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
53.03922	0.7
53.64464	0.7
55.05472	2.3
57.07047	1.3
64.04179	0.7
67.05453	3.1
69.07072	3.9
71.02474	0.8
71.02835	1.5
79.05498	5.3
81.07068	9.7
83.08582	1.5
90.92841	0.7
91.05479	5.2
93.07050	9.1
95.04949	1.3
95.08606	11.8
97.06473	1.6
103.11521	0.7
105.07038	9.4
107.04908	0.8
107.08591	14.0
109.06487	1.0
109.09464	0.9
109.10159	10.8
111.08070	0.9
117.06986	3.4
119.07811	0.8
119.08585	13.1
121.06480	1.5
121.10155	12.9
123.08014	1.1
123.11713	6.6
125.06008	4.9
129.06953	1.0
131.07729	1.0
131.08571	12.2
133.10139	8.2
135.08023	1.2
135.11693	5.3
138.09024	0.7
142.07779	1.0
143.08554	5.8
144.09358	0.9
145.06453	1.4
145.10144	11.6
147.07993	1.7
147.11684	4.0
149.13263	21.5
155.08517	1.7
156.09338	1.2
157.10155	8.8
158.10806	1.0
159.08022	2.3
159.11708	12.7
161.09595	1.6
161.13245	2.7
163.11130	1.4
163.14793	1.6
167.08614	0.9
168.09244	1.0
169.10046	1.2
170.10925	1.8
171.11717	4.4
173.09653	1.6
173.13261	14.2
175.07585	1.7
175.11121	1.1
175.14813	4.4
177.09111	1.5
177.12775	7.0
177.16371	1.8
183.08118	0.9
183.11688	3.2
185.09680	1.7
185.13264	9.9
186.10509	0.9
187.11137	2.2
187.14851	5.7
189.09103	1.6
189.12724	1.9
189.16431	2.6
191.10574	0.8
191.17946	7.1
197.13304	1.7
199.11180	1.6
201.12761	53.0
201.16374	3.7
203.10760	1.3
203.14346	5.3
203.17809	0.9
205.12248	5.7
205.15837	1.8
206.85301	0.8
213.12743	5.2
213.16389	0.8
215.14374	1.8
215.18068	1.2
217.12273	2.4
219.13812	27.4
225.16364	0.9
227.14253	1.3
227.18005	1.4
229.15808	1.7
231.11658	1.6
231.13803	18.0
231.17346	1.2
233.15373	1.9
239.17999	1.0
245.15399	1.0
247.16968	4.1
249.14870	100.0
253.19209	0.8
255.17476	2.1
257.19308	0.8
273.18561	2.2
277.18103	2.5
291.19641	3.4
303.19537	4.1
315.19589	1.3
317.21198	1.7
329.21222	3.2
331.22797	0.8
343.22681	2.1
345.24188	1.5
379.30222	0.9
421.31189	2.7
437.30624	0.8
439.32114	41.3
449.30676	2.3
457.33032	7.4
467.31812	5.6
485.14236	1.0
485.32745	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	485.3605
Annotation	Fomlactone B
Peak:m/z	Relative Intensity
57.07074	1.7
68.63374	1.0
71.57732	1.1
72.78180	0.9
85.24761	0.8
95.08580	1.1
98.79732	0.9
105.07098	0.9
131.49854	0.9
151.19839	0.9
218.02963	0.9
279.15308	0.9
287.34491	1.0
297.39578	0.9
485.36081	100.0
486.36194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3606
Annotation	Fomlactone B
Peak:m/z	Relative Intensity
50.28477	0.4
52.61856	0.4
57.07076	1.1
59.03885	0.4
65.66017	0.4
66.10033	0.4
67.05519	0.4
69.07061	0.5
69.55517	3.3
70.06600	1.0
71.08677	0.4
75.10135	0.4
79.29458	0.4
83.20569	0.4
88.07629	0.7
89.73986	0.5
90.96972	0.4
91.05482	1.4
95.08626	0.7
98.21543	0.4
102.09171	0.9
105.89896	0.4
107.08590	0.5
109.10201	0.4
119.04958	1.9
119.61950	0.4
121.10139	0.5
133.10109	0.9
135.11761	0.5
147.04422	7.3
199.38759	0.4
212.23665	0.4
218.75847	0.4
229.23611	0.5
243.28824	0.4
255.23253	0.9
256.23584	1.1
256.26428	1.1
257.26801	0.8
275.28171	0.5
283.26367	0.6
284.26834	0.5
422.80386	0.5
426.96902	0.5
457.43869	0.5
458.46530	0.4
485.36090	100.0
485.47702	6.3
486.36459	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	486.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92538	2.7
56.96574	5.1
67.05513	4.5
71.57591	4.4
74.09735	5.2
76.02231	4.8
81.07041	3.2
84.08146	4.9
87.04478	5.8
91.05492	13.2
93.07054	6.1
95.08597	6.3
103.05536	3.5
116.38131	3.6
121.06507	22.3
125.00024	97.6
137.05994	31.7
148.82838	2.5
163.41113	3.0
164.07059	4.5
179.04901	6.9
182.08157	8.5
190.46252	3.1
224.02351	3.9
248.05936	5.9
262.03885	3.2
268.11810	8.6
280.04840	8.9
288.06165	14.7
292.04675	2.9
306.07376	100.0
324.07669	8.3
382.10498	5.9
394.09808	7.7
412.10721	12.0
436.10800	4.6
468.14117	13.4
486.15735	5.1
498.71667	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	486.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21565	0.6
69.10561	0.6
70.06582	1.5
70.85682	1.2
70.86008	1.0
79.05504	0.9
81.03408	1.0
85.02901	1.0
91.05468	1.8
93.07060	1.5
97.02879	0.6
103.05395	0.7
105.07049	0.8
107.08604	1.0
110.29077	0.6
117.03397	1.1
119.04932	0.7
120.04441	0.9
121.06496	2.8
121.10136	0.7
125.42249	0.6
126.09124	2.8
133.02863	1.0
134.82254	0.7
136.07661	1.1
137.06001	1.7
138.05463	1.2
148.03932	2.7
152.07056	4.3
163.03905	0.9
164.07071	1.8
174.05283	4.5
177.05530	1.3
180.06566	26.7
190.04985	1.3
192.06601	3.5
194.08147	5.8
196.09691	2.1
204.06349	20.8
206.08147	7.9
210.07660	1.0
211.08371	2.0
216.06355	9.9
224.09200	87.5
225.09537	1.0
228.06354	1.1
234.07390	17.8
240.08682	2.0
246.07393	29.4
276.08463	100.0
284.11319	42.2
285.11777	1.0
294.09473	1.0
306.09521	5.2
486.17383	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	486.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.9
68.32517	0.6
75.96368	0.6
81.07048	0.8
91.05486	17.2
94.44615	0.6
98.02445	0.6
109.06554	1.1
119.04956	10.2
137.05984	100.0
149.02339	2.1
167.03395	1.5
179.07031	1.3
181.04993	7.2
191.03383	1.8
209.04469	1.3
223.06047	7.3
265.07129	2.0
283.08234	2.3
303.34540	0.7
345.09763	2.1
419.13504	1.6
506.83679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01870	1.7
55.05494	0.8
65.02033	0.7
65.03928	0.6
67.05494	1.9
69.07053	1.5
69.82649	3.6
71.04991	1.6
72.08146	0.7
77.03910	0.6
79.05496	1.6
81.07043	2.0
85.02902	2.1
91.05489	9.0
93.07047	12.5
95.04958	3.2
95.08617	1.5
103.05484	9.1
105.04503	1.1
105.07022	2.0
107.08596	1.3
109.10166	1.1
114.05516	1.1
119.08545	1.4
120.08084	0.7
121.06512	78.5
124.07613	0.6
132.04449	0.7
133.10091	1.4
144.08138	0.9
147.11684	0.8
150.05519	13.0
163.03922	1.1
164.07086	18.0
166.05013	1.0
166.08649	2.2
178.05017	0.9
181.07410	1.8
182.08182	1.7
188.06972	0.8
190.08667	1.2
192.06602	1.3
194.08138	100.0
195.08803	2.4
208.09709	56.5
209.10481	2.0
210.11203	1.0
218.08159	1.1
222.07645	4.2
230.11646	1.0
231.09001	1.7
232.09691	1.2
234.11337	2.2
236.09247	3.9
248.12827	0.9
262.14432	1.7
274.14377	9.3
288.15979	3.9
292.15448	65.7
303.87604	0.9
306.17014	46.4
314.13870	22.0
334.16507	56.1
347.15302	0.9
348.18201	0.8
366.19119	2.1
387.21576	0.7
388.17673	1.2
399.36411	0.8
412.21225	61.8
413.21219	1.0
451.23248	0.8
454.22290	34.1
486.25046	12.6
500.40463	0.7
509.81104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.7
53.03944	4.6
55.01893	1.3
55.05517	5.2
56.96561	1.9
57.07077	2.5
67.05510	22.0
69.03435	5.6
69.07072	12.8
69.41296	9.6
71.04994	1.5
72.67865	1.3
73.02910	2.1
78.22652	1.2
79.05497	16.2
81.03416	5.3
81.07065	57.2
83.08617	2.4
85.02908	15.4
87.00839	5.9
91.05488	35.4
93.07056	26.3
95.05006	1.7
95.08613	45.2
97.02906	8.5
97.10173	2.0
98.20708	2.1
99.04452	3.6
105.01882	9.4
105.07043	69.3
106.07349	1.7
107.08599	35.3
109.02885	5.0
109.10161	47.6
117.07007	2.7
119.08594	60.0
121.10155	18.2
122.10480	1.4
123.11726	12.7
127.03942	15.3
133.10144	34.8
135.08122	2.0
135.11720	5.2
137.05995	2.1
145.04951	10.6
145.10110	4.4
147.11705	73.8
159.02945	3.1
159.11719	2.8
161.13283	16.2
163.07501	2.6
174.13618	1.3
175.14865	9.0
187.14807	1.6
203.17976	100.0
231.05084	5.3
242.20175	1.4
249.06090	2.2
254.19527	1.3
450.30368	1.7
468.32272	2.0
486.33044	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	486.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.7
53.03944	4.6
55.01893	1.3
55.05517	5.2
56.96561	1.9
57.07077	2.5
67.05510	22.0
69.03435	5.6
69.07072	12.8
69.41296	9.6
71.04994	1.5
72.67865	1.3
73.02910	2.1
78.22652	1.2
79.05497	16.2
81.03416	5.3
81.07065	57.2
83.08617	2.4
85.02908	15.4
87.00839	5.9
91.05488	35.4
93.07056	26.3
95.05006	1.7
95.08613	45.2
97.02906	8.5
97.10173	2.0
98.20708	2.1
99.04452	3.6
105.01882	9.4
105.07043	69.3
106.07349	1.7
107.08599	35.3
109.02885	5.0
109.10161	47.6
117.07007	2.7
119.08594	60.0
121.10155	18.2
122.10480	1.4
123.11726	12.7
127.03942	15.3
133.10144	34.8
135.08122	2.0
135.11720	5.2
137.05995	2.1
145.04951	10.6
145.10110	4.4
147.11705	73.8
159.02945	3.1
159.11719	2.8
161.13283	16.2
163.07501	2.6
174.13618	1.3
175.14865	9.0
187.14807	1.6
203.17976	100.0
231.05084	5.3
242.20175	1.4
249.06090	2.2
254.19527	1.3
450.30368	1.7
468.32272	2.0
486.33044	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	486.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.05503	3.9
57.07056	1.1
58.27033	1.2
67.05493	3.6
69.07070	4.9
70.20323	4.0
71.01678	1.3
72.04536	3.1
79.05495	4.3
81.07046	4.9
83.08615	2.1
88.99279	1.3
91.05468	4.3
93.07048	25.1
95.08611	4.4
96.27892	1.4
97.10194	2.2
98.21406	1.5
105.07014	1.8
107.08591	21.2
109.10165	2.4
111.11703	1.6
119.08577	2.2
121.06516	12.4
121.10168	3.3
123.11723	1.7
130.57478	1.2
133.10112	2.3
135.11694	34.7
136.07544	1.5
137.13261	1.8
148.03961	1.4
151.14836	1.4
152.07104	2.5
157.12192	1.6
164.07057	1.6
166.05032	2.9
180.06546	41.2
217.19460	2.6
222.07565	2.4
235.20528	7.1
248.16472	2.8
250.14549	7.3
253.21672	10.2
264.15942	75.7
271.22577	8.5
275.20273	1.4
292.15454	2.9
306.16995	100.0
307.17261	2.5
408.84610	1.2
412.21255	9.7
486.24799	4.8
486.32452	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	487.1215
Annotation	Tetracenomycin X
Peak:m/z	Relative Intensity
53.03941	0.6
57.03432	0.8
67.05501	1.3
69.03428	1.2
69.07066	0.9
69.52073	3.8
76.01261	0.6
79.05476	2.2
81.03394	2.2
81.07055	2.6
85.02906	1.5
91.05500	3.0
93.07069	2.8
95.08587	3.3
97.02896	4.6
98.97567	1.0
105.07024	2.6
107.08601	7.8
109.02888	1.0
109.06498	0.9
109.10161	1.6
112.59351	0.6
115.05563	0.8
117.07035	0.8
119.04927	0.9
119.08580	2.7
121.06483	1.9
121.10137	2.7
127.03905	1.3
131.08572	1.2
133.10132	2.1
135.08055	3.1
135.11667	1.2
137.05986	3.9
145.02818	1.5
145.10132	1.5
147.04388	0.6
147.11664	1.8
153.09157	0.7
157.10156	1.1
159.11742	1.8
161.13197	1.0
163.03912	1.0
163.07573	4.9
167.07011	1.2
171.11842	0.8
173.13249	1.7
175.11026	0.6
175.14786	1.0
177.05479	1.8
177.16371	1.1
181.08638	1.5
187.03671	45.5
187.14821	0.9
189.16420	1.1
201.05524	3.7
201.16429	2.0
203.10805	0.6
203.17853	0.6
207.17500	0.6
221.15388	1.0
228.06247	1.0
234.19853	0.6
262.06424	1.0
268.90045	0.6
273.07962	2.2
277.08542	1.0
293.08112	1.2
305.08029	2.2
323.07358	5.4
325.10617	1.3
327.04611	1.3
337.10852	3.0
355.11899	2.0
359.07431	1.6
423.32611	0.9
441.33667	1.4
469.33237	1.3
486.33066	1.2
487.12109	100.0
487.32996	5.6
488.12448	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	487.143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.2
62.13087	0.7
63.62058	0.7
65.46062	0.8
69.03431	2.1
69.42141	3.5
69.42550	2.1
70.06566	0.9
70.79836	0.7
79.71709	0.7
83.04966	0.7
85.02912	2.6
95.04984	0.8
97.02914	0.8
98.21474	1.3
98.97588	3.4
104.45899	0.7
116.98651	1.4
127.03843	1.5
131.01762	0.8
131.05011	0.7
137.05989	2.1
147.04390	1.1
161.03018	0.9
163.03917	4.0
177.05627	0.8
203.05370	4.3
216.81963	0.7
219.01802	2.3
229.00163	0.8
237.02756	1.4
347.09448	2.6
487.14267	100.0
488.14481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.1
52.06385	0.1
53.03940	0.3
55.01870	0.2
55.05526	0.1
57.03439	0.5
60.94064	0.1
61.02932	0.2
63.02386	0.3
69.03431	3.0
70.06586	0.2
71.01352	0.3
71.05000	0.4
71.57092	0.1
72.08160	1.1
73.02908	0.1
79.05488	0.7
81.03433	0.9
82.06574	0.1
82.99768	0.1
83.04957	0.1
84.08148	0.3
84.21140	0.1
85.02909	2.3
85.03425	0.1
86.47214	0.1
87.04478	0.1
89.03918	5.0
90.04289	0.1
91.03967	0.1
91.05481	0.2
95.04945	0.2
97.02898	5.6
97.07656	0.5
99.04455	0.5
101.02373	0.2
107.04967	1.7
109.02903	0.5
114.10300	3.8
114.12808	0.6
115.03878	0.1
117.03387	6.4
121.06516	0.3
127.03920	1.3
135.04422	13.9
136.04778	0.1
140.85147	0.1
145.02855	11.3
147.04367	0.1
151.03836	0.1
163.03911	100.0
164.04269	0.6
165.05441	0.1
177.05469	0.1
181.04944	1.9
186.05470	0.2
207.26189	0.1
219.01779	0.1
232.69676	0.1
255.66727	0.1
260.34238	0.1
265.06854	0.1
307.08179	1.7
321.11740	0.2
325.09189	11.2
349.10944	0.1
427.16122	0.1
487.14124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
53.13299	0.8
55.01862	2.0
55.05506	3.0
57.03437	5.7
64.46674	0.8
65.03934	1.1
67.05487	2.9
69.03045	1.0
69.03423	4.3
69.07072	1.6
70.06623	1.1
71.04996	20.3
71.58732	1.0
72.08149	1.0
73.02907	2.2
75.04482	4.4
79.05487	5.2
81.03405	3.4
81.07063	9.1
83.04979	2.5
85.02911	26.0
85.06538	1.0
87.04456	1.0
88.54057	0.9
91.05489	10.5
93.07033	7.8
94.04174	3.4
95.04967	1.9
95.08613	8.5
97.02896	16.8
99.04442	0.9
99.08092	1.4
103.05454	4.2
105.07050	11.9
107.04968	2.7
107.08598	12.3
109.02855	1.7
109.06508	3.1
109.10181	4.2
110.07162	1.3
111.04455	1.7
115.03966	1.0
115.05461	4.0
117.03379	2.0
117.06997	3.9
119.04917	3.0
119.06055	1.0
119.07785	1.8
119.08574	16.7
121.06493	2.8
121.10151	5.4
122.03667	5.1
123.04376	1.1
123.08025	1.0
123.11676	2.1
125.09641	1.1
127.03930	1.2
128.04601	1.4
128.06224	2.8
129.05478	3.8
129.06993	2.3
131.04906	5.3
131.08582	7.2
132.05714	2.7
133.02863	8.3
133.06520	2.3
133.10143	12.9
135.04420	2.1
135.08063	4.8
135.11734	2.1
137.05984	100.0
137.09593	3.8
138.06383	1.1
141.06989	1.2
143.04996	1.1
143.08527	1.8
145.02844	2.2
145.06464	1.7
145.10141	9.6
146.03642	1.3
147.04407	3.7
147.08060	2.7
147.11688	7.3
149.05988	4.3
149.13231	2.7
151.03914	3.0
151.07602	1.0
153.05580	1.1
157.06345	0.9
157.10135	3.2
159.08049	1.1
159.11682	7.2
160.05150	1.8
161.05971	9.6
161.13226	3.4
162.06763	1.2
163.03911	4.8
163.07545	17.1
163.14822	2.4
165.05553	1.8
167.07048	1.2
169.06541	1.2
170.10892	1.2
171.11707	1.6
173.05968	2.5
173.13246	7.8
175.03894	3.3
175.07561	37.4
175.14851	5.6
177.05481	5.1
177.16414	4.9
179.07043	1.2
181.06776	1.0
183.11650	1.4
184.05176	1.4
185.13242	3.5
186.03044	1.6
187.07520	4.0
187.14830	11.0
189.16399	3.2
190.07837	1.4
191.08632	1.7
191.14330	5.3
193.16014	1.1
194.39038	1.1
197.13348	1.7
199.07536	13.0
199.14803	4.1
201.05470	21.8
201.09099	2.0
201.16383	6.8
202.07790	3.0
203.06929	1.3
203.08569	5.1
203.14262	2.7
203.18024	2.0
205.06503	3.7
205.15869	12.0
206.07294	2.0
207.06491	1.9
213.05441	3.4
213.16342	1.7
215.14296	0.9
217.15863	2.2
218.07219	1.0
219.08119	3.0
219.17479	1.3
220.05414	1.1
220.08734	1.8
221.15375	2.3
231.08379	5.1
233.05981	2.8
234.06783	7.2
235.07494	1.8
236.08223	1.5
237.09038	2.0
245.05936	2.2
246.06767	1.2
247.07539	2.8
248.08379	3.6
249.09135	4.3
251.06870	1.7
251.10645	2.8
259.07523	3.4
260.08322	1.7
261.05545	1.6
261.09067	1.1
262.06235	9.3
263.07004	2.6
263.10571	3.4
265.08615	3.9
273.05444	2.2
276.07837	3.0
277.08566	9.4
278.09381	1.2
279.10135	3.3
290.05743	10.3
291.06873	1.6
291.10110	7.8
292.07407	1.6
292.10889	4.3
293.08035	3.5
294.08893	1.9
295.09619	1.8
295.13037	1.3
297.07532	1.8
297.10977	2.1
305.08099	20.2
307.06119	0.9
307.09613	3.8
309.11179	1.9
311.12753	6.1
319.09549	1.4
321.11234	1.0
322.08353	2.7
323.09137	1.3
323.12726	11.2
325.10693	14.0
325.14240	1.9
337.10706	26.6
355.11844	9.1
389.16229	1.5
401.10181	1.7
405.31497	5.0
421.12555	4.3
423.32541	3.5
433.12784	3.6
433.30841	1.3
441.33527	1.7
451.13895	3.0
451.32062	2.4
469.14822	2.2
469.33157	5.8
487.16415	11.8
487.24164	1.4
511.33859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.2
55.05515	0.6
57.03427	0.3
57.07084	0.2
64.03828	0.2
67.05502	0.9
69.03413	0.3
69.07072	0.8
69.44803	1.3
71.05002	0.5
72.08144	0.4
79.05489	1.4
81.07063	1.8
83.04965	0.3
83.08626	0.8
84.08142	1.0
85.02902	0.3
85.06586	0.2
86.06071	100.0
87.04471	2.6
87.06382	0.4
91.05485	2.0
93.07047	4.1
95.04980	0.6
95.08611	1.7
98.97589	0.4
99.08092	1.7
103.05477	1.0
105.07027	2.4
107.08598	4.4
109.06522	0.5
109.10151	2.3
111.08075	0.3
114.03777	0.5
114.10316	0.6
117.07015	0.5
119.08585	3.7
121.06510	7.4
121.10145	2.5
122.06841	0.6
123.08038	0.3
123.11716	0.8
128.06213	0.2
129.07027	0.4
130.06577	0.5
131.08578	2.5
133.10143	3.2
135.11713	1.6
137.05930	0.2
137.09599	0.3
142.07819	0.2
143.08548	1.2
145.10129	2.5
146.05991	0.2
147.04323	0.3
147.11705	3.6
149.09634	0.5
149.13333	0.6
151.11241	0.4
152.07065	0.3
153.12769	0.3
155.08574	0.4
157.10124	1.9
158.10841	0.3
159.11697	2.1
161.13293	1.1
163.03943	1.2
163.11176	0.3
163.14870	0.5
164.07095	0.7
165.12672	0.3
166.05019	0.8
169.10155	0.7
170.10895	0.2
171.11717	1.6
172.12370	0.3
173.13280	2.3
175.14786	1.2
177.12784	0.3
177.16400	0.8
178.08577	0.4
179.14369	0.4
180.06558	6.5
182.11012	0.2
183.11681	1.5
185.13281	1.4
187.14827	3.2
189.16374	0.7
191.14337	0.3
195.11618	0.3
197.11636	0.2
197.13182	1.0
199.14792	2.0
201.16397	2.1
203.14264	0.4
203.17967	0.3
205.15895	2.1
207.17491	0.4
208.06013	0.3
208.09154	0.2
209.13300	0.5
211.14725	0.6
213.16414	1.2
215.14381	0.3
215.18002	0.4
217.15883	0.5
218.69836	0.2
219.17502	0.6
222.07599	2.9
223.14845	0.2
223.16933	0.4
225.16431	0.4
227.17928	0.4
229.15901	0.3
233.96049	0.2
239.17958	0.3
241.19507	0.4
245.19037	0.3
249.12440	0.2
251.18069	0.3
252.08827	0.3
253.19504	0.6
255.21074	0.2
259.20654	0.4
265.11957	0.6
265.19516	0.3
266.10239	2.0
271.20596	0.8
283.20532	1.8
285.12567	0.3
285.22125	0.3
293.11465	0.3
301.21606	0.6
307.12894	33.9
308.11182	6.0
323.13879	0.4
324.14267	0.3
325.14429	0.7
328.11880	0.3
351.26855	0.6
369.27939	1.2
387.30289	0.3
393.31714	0.3
405.31604	2.7
413.17093	4.3
414.15463	0.8
423.32660	3.1
425.30334	0.5
441.33679	9.2
451.31979	1.6
469.32880	0.5
487.19431	1.3
487.34088	0.5
488.19373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56458	0.4
55.05477	0.5
56.13816	0.4
60.04195	0.4
60.04499	1.1
65.09117	0.4
72.04523	4.3
72.08163	8.9
73.79726	0.3
78.70576	0.4
91.05444	1.0
93.06994	1.2
103.05444	0.9
114.09179	18.8
121.06509	5.1
135.04327	0.9
146.05984	0.8
157.22812	0.5
163.03929	3.3
178.08691	2.9
204.06485	0.9
222.07544	1.9
275.07333	0.9
291.16843	0.7
335.05838	0.6
335.09543	9.2
335.15900	4.3
355.17401	2.2
374.15814	0.6
386.27838	0.4
455.21542	1.0
487.21277	100.0
488.21603	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58125	0.3
69.03438	0.5
69.07063	0.5
70.06583	1.0
71.56210	0.4
72.08137	1.7
79.05501	0.5
81.03422	0.5
81.07040	1.0
82.07439	0.3
85.02902	1.4
86.09703	0.9
90.36176	0.3
91.05479	0.7
92.11635	0.3
93.07007	0.5
97.07638	0.7
100.89876	0.3
105.07011	0.5
107.08619	0.6
107.09316	0.3
109.10212	0.4
114.10294	5.9
121.06530	1.9
122.06889	0.4
127.03876	0.4
133.10184	0.5
135.04449	0.6
145.02901	0.3
145.04875	0.6
163.03923	5.1
168.13939	0.6
200.80742	0.3
275.07315	0.4
279.06454	0.4
297.07654	0.4
313.18530	0.8
331.19562	0.8
333.07892	3.6
335.09299	1.6
348.20111	1.0
349.10895	0.5
349.20624	1.2
355.17303	2.0
363.52054	0.3
487.21530	100.0
487.26724	4.7
488.21939	1.3
507.75662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2152
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
57.88810	0.4
60.37844	0.5
71.55782	0.6
79.05522	0.6
89.03931	2.4
89.37670	0.4
107.04927	0.7
110.67351	0.5
117.03392	3.5
124.97623	0.4
127.03993	0.5
135.04431	6.1
137.05930	0.5
145.02872	4.8
163.03918	33.8
190.70135	0.4
326.05215	0.4
333.08032	1.4
335.09314	1.0
355.17227	1.9
487.21539	100.0
488.21924	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
60.04486	1.1
69.91731	1.9
72.04517	4.3
72.08160	8.7
85.77898	0.4
91.05437	1.2
93.06978	1.5
103.05409	1.1
107.72756	0.3
114.09172	19.2
121.06515	6.1
146.05936	1.0
163.03825	0.8
176.07039	0.7
178.08656	2.9
188.78165	0.4
203.05122	0.7
204.06538	0.8
207.46672	0.4
210.11319	0.5
222.07611	2.2
275.07324	1.0
317.08350	0.5
335.09528	10.0
335.15909	5.1
355.17270	6.0
358.82339	0.5
447.05176	0.4
455.21515	1.3
487.21225	100.0
488.21826	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61738	1.8
51.02393	3.3
53.03944	13.3
55.01880	3.5
55.05512	24.9
57.03426	5.8
57.07082	13.1
57.90747	2.2
58.97597	2.1
59.04989	2.7
63.27702	2.1
65.03947	3.0
67.05508	66.5
69.07071	10.6
69.45242	2.2
71.04990	4.2
71.08630	5.4
71.56984	3.2
77.03925	3.1
79.05496	100.0
81.03429	13.0
81.07061	62.4
83.04984	16.0
83.08637	12.7
84.03896	2.1
91.05483	76.6
93.07051	71.0
95.04987	25.0
95.08618	36.5
95.48083	2.1
97.06535	8.4
97.10183	5.7
99.08087	2.9
105.04503	3.7
105.07036	53.3
107.04976	6.2
107.08587	24.0
109.06523	6.9
109.10155	9.3
112.41550	2.2
114.10291	7.5
117.07050	13.0
119.08582	30.1
121.06492	4.0
121.10161	8.7
123.08061	7.9
127.07521	2.6
128.06218	5.3
129.07007	20.3
131.08578	6.5
133.10144	18.0
135.11690	8.1
143.08611	13.6
145.10110	11.0
147.08032	6.0
147.11707	36.2
159.11678	3.4
161.09650	5.7
161.13269	17.2
167.42712	2.6
168.95810	3.2
170.78255	2.4
171.11697	30.2
186.96809	3.1
189.12746	15.9
207.13809	49.8
217.49045	2.4
225.14859	7.6
232.36455	2.7
235.26907	2.5
281.17389	2.6
285.07977	2.6
313.27332	10.9
314.27753	9.0
315.28033	29.6
319.18613	2.9
335.21909	25.2
418.86700	3.2
455.17566	2.9
487.19836	3.2
487.33813	82.0
488.34018	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	487.3412
Annotation	Acerinol
Peak:m/z	Relative Intensity
51.02361	0.7
53.03954	2.9
55.05515	8.0
56.96552	0.7
57.03423	1.3
57.07064	2.4
58.07417	0.6
59.05026	0.6
63.43139	0.6
65.03953	0.7
67.05505	16.2
69.07071	3.9
71.04982	0.6
71.08635	1.1
73.06550	1.1
79.05499	20.8
81.03454	2.8
81.07063	15.0
83.04980	4.2
83.08608	1.9
85.06520	0.9
85.10191	0.9
91.05484	19.2
93.07050	20.4
95.04969	5.6
95.08603	10.8
95.59653	0.7
97.06543	1.7
97.10189	0.8
98.21501	1.7
99.04469	0.6
105.04498	0.7
105.07043	13.3
105.24021	0.6
107.04955	1.9
107.08601	8.1
109.06516	2.0
109.10155	2.7
111.08096	1.2
114.10296	1.0
115.05430	0.8
117.07032	3.6
119.08590	7.8
121.06535	1.1
121.10143	2.2
123.08073	2.3
123.11675	0.9
128.06209	1.3
129.07016	5.0
131.08568	1.9
133.10138	3.7
135.08092	0.7
135.11682	1.7
143.08588	2.9
145.10158	3.7
147.11697	11.5
149.13171	0.6
159.11720	0.6
161.09621	1.8
161.13281	3.8
168.95718	1.0
170.93073	0.6
171.11703	9.0
173.13246	0.6
179.14320	1.1
182.13792	0.6
186.96819	1.3
189.12743	5.5
190.36205	0.6
198.02971	0.6
204.97879	0.6
207.13791	11.2
225.14833	1.7
247.67621	0.7
281.17523	0.9
304.91345	0.5
313.27240	2.4
314.27826	1.2
315.28000	5.0
317.17740	1.1
319.18338	1.9
335.21924	20.5
455.17572	1.0
487.34430	100.0
488.34656	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	487.3424
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03950	2.4
55.05506	7.3
56.96553	2.9
67.05505	5.2
69.07069	6.7
70.11026	1.4
70.75941	2.6
70.76282	3.8
71.05006	2.8
72.08155	6.1
77.03951	2.0
79.05489	7.7
81.03358	2.2
81.07066	18.8
83.05000	2.0
83.08616	2.0
84.08134	4.7
85.02895	5.6
89.70701	1.5
91.05480	8.6
93.07037	15.5
94.62843	1.5
95.04963	4.5
95.08605	24.6
97.02837	2.4
97.06532	2.0
97.07632	2.1
97.10175	1.6
99.08088	4.3
100.42273	1.6
105.07036	30.1
107.08603	20.4
109.06561	3.5
109.10146	11.2
111.08100	2.1
114.10304	14.5
117.07017	3.3
119.08584	34.6
119.09439	1.7
121.06487	14.1
121.10162	9.5
123.08047	2.1
123.11696	5.2
125.06007	2.7
128.10767	1.8
129.06998	3.2
130.30859	1.9
131.04926	5.1
131.08565	9.3
133.10135	26.7
135.11702	26.2
137.09645	2.1
143.08554	5.9
145.10114	8.1
147.08055	6.2
147.11708	15.4
149.05975	15.1
149.13272	5.9
151.11218	4.5
156.16342	1.5
157.10124	5.1
159.11682	3.2
161.09593	2.3
161.13243	5.2
163.11201	2.2
163.14830	6.2
165.12790	2.3
169.10124	2.0
171.11664	3.4
173.13292	10.2
175.14822	5.9
177.16331	1.9
183.11690	2.9
185.13223	5.2
187.14859	3.8
189.16380	49.6
194.08202	3.7
199.14752	3.1
201.12737	6.4
201.16403	2.6
203.14297	7.3
203.17975	3.7
204.18242	3.5
205.15846	2.6
205.19440	1.8
207.17444	100.0
215.25017	1.6
219.13795	18.2
270.42615	1.7
292.15717	2.2
293.15668	2.8
315.14066	1.6
351.18182	2.2
405.31509	3.8
413.21225	1.9
423.32825	10.1
425.34198	3.0
441.33658	71.8
442.33817	3.1
443.35217	2.9
463.04996	1.9
469.15823	1.7
469.33249	3.6
487.13876	1.8
487.23074	5.5
487.34482	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
55.05524	2.3
57.07069	0.4
57.59687	0.6
60.40154	0.4
61.78196	0.4
63.38062	0.4
65.03928	0.4
65.14739	0.4
67.05515	2.3
69.03431	0.6
69.07071	3.4
69.43716	2.5
69.44126	1.0
79.05495	1.5
81.07056	4.6
83.04981	2.7
83.08617	1.7
91.05479	1.7
93.07040	4.1
95.04977	1.1
95.08611	6.4
95.89258	0.4
97.06544	1.2
98.20771	1.0
99.08066	0.5
102.37823	0.5
105.07043	7.7
107.08602	6.6
109.06508	1.0
109.10162	5.2
111.08110	1.0
115.31824	0.5
117.07057	1.0
119.08587	10.7
121.10159	7.1
123.08080	1.3
123.11694	2.4
131.08575	3.0
133.10139	8.9
135.08066	1.3
135.11690	4.0
135.82716	0.4
137.09636	0.8
137.13297	0.7
137.91991	0.4
141.06996	1.2
143.08606	2.3
143.63126	0.4
145.10114	4.9
147.08044	1.2
147.11713	4.5
149.09625	1.3
149.13281	2.5
151.11185	1.4
153.09126	0.8
155.08601	1.3
157.10126	2.4
159.08069	0.8
159.11674	3.2
161.09679	2.5
161.13301	2.7
163.11183	0.6
163.14825	2.1
163.78635	0.5
169.10152	1.3
171.11668	2.6
173.09731	0.7
173.13289	4.6
175.11208	0.9
175.14835	7.1
177.12726	0.4
177.16449	1.7
183.11737	1.2
185.13281	1.5
187.14828	5.0
189.12770	1.4
189.16388	13.7
191.14418	0.8
191.18037	1.0
193.15990	1.3
197.13177	2.2
199.14806	3.3
201.16478	1.0
203.14365	0.5
203.17972	0.6
205.15944	1.5
207.17447	0.9
211.14865	1.9
213.16391	2.2
215.14305	4.0
215.17876	0.5
217.15884	6.6
225.16458	0.8
227.18030	1.5
229.15916	0.9
229.19540	0.6
231.17433	0.8
233.15344	2.1
235.16898	3.1
239.17990	1.0
241.19505	0.8
243.17476	0.6
243.21063	0.8
245.19000	0.7
251.16327	2.2
253.19542	2.1
267.21179	0.6
271.20520	4.3
285.22177	0.8
289.39960	0.5
317.21100	1.0
347.53723	0.5
387.30646	0.8
405.31693	3.2
423.32620	3.6
433.31122	1.0
439.32080	0.7
441.33679	5.7
451.32236	4.6
469.33203	5.5
487.34225	100.0
488.34500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05506	1.0
62.86839	0.3
67.05495	1.4
69.03432	0.8
69.07063	1.4
70.06558	0.3
71.04999	0.5
71.57291	0.5
71.57674	0.6
72.08144	0.6
79.05488	1.4
81.07060	2.6
83.08621	0.9
84.08150	1.2
85.02913	0.6
85.06536	0.6
86.06071	100.0
87.04475	5.2
91.05482	3.6
93.07046	5.0
95.04972	0.9
95.08617	3.2
99.08100	2.5
103.05474	1.2
105.07040	4.3
107.08598	8.2
109.06532	0.4
109.10161	3.2
114.03781	1.1
114.10316	1.4
115.51712	0.3
117.07043	1.3
119.08585	6.1
119.09376	0.6
121.06503	9.5
121.10166	4.3
122.06855	0.5
123.11725	1.1
125.09666	0.5
126.58215	0.4
129.07042	0.4
129.49338	0.4
131.08575	3.3
132.76511	0.4
133.10156	5.2
135.08098	0.5
135.11703	2.2
137.06017	0.4
137.13264	0.4
143.08664	1.8
145.10120	3.7
146.05981	0.5
147.11697	5.8
149.09662	0.7
149.13268	0.6
149.36925	0.3
151.11206	1.3
153.12744	0.6
157.10094	2.3
159.11694	4.3
161.13234	1.8
163.03867	2.1
163.11119	0.7
163.14891	0.8
164.07111	1.2
165.12817	0.4
166.05040	0.9
169.10135	1.2
170.10979	0.5
171.11737	2.0
173.13271	3.3
175.14836	1.5
176.07040	0.3
177.12750	0.4
177.16422	1.5
180.06558	9.8
183.11700	1.7
185.13249	2.3
187.13345	0.6
187.14842	4.3
189.16460	1.3
191.18027	0.6
195.11621	0.5
197.13322	1.5
199.14836	3.5
201.16374	3.0
205.15889	2.8
208.06020	0.4
211.14920	1.1
213.16425	1.1
217.15918	0.9
219.17482	1.2
222.07607	2.9
223.16948	0.5
227.17992	0.5
231.17484	0.6
239.17955	0.7
241.19562	0.4
253.19586	0.9
265.11862	0.6
265.19638	0.9
266.10208	3.4
267.93396	0.4
271.20587	0.8
283.20532	3.0
285.12695	1.1
301.21729	1.1
307.12897	33.2
308.11240	9.1
323.13809	0.5
324.14072	0.4
325.14514	0.5
351.26932	1.0
369.27908	1.6
387.30450	0.5
405.31622	4.0
413.17130	4.3
414.15631	1.1
423.32602	4.7
441.33661	11.8
451.31992	1.9
487.20459	1.5
487.34818	0.6
510.86038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
53.45805	0.3
55.05509	1.7
57.07073	0.8
58.53685	0.4
59.05005	0.4
59.94643	0.3
67.05505	2.6
69.03438	0.5
69.07063	2.1
69.57839	2.2
72.08154	1.3
73.59091	0.3
79.05478	2.0
81.07059	3.9
83.04985	1.8
83.08620	1.3
85.06525	0.4
85.85776	0.4
91.05469	1.7
93.07045	5.1
95.04984	0.6
95.08609	7.5
97.06525	0.8
97.10197	0.4
105.07035	7.1
107.08605	8.0
109.06503	1.2
109.10157	5.5
109.42805	0.3
110.71432	0.3
111.08077	1.1
114.10287	0.9
117.07024	0.9
119.08585	10.3
121.06506	1.2
121.10149	9.4
123.08094	0.8
123.11706	1.8
125.09563	0.6
127.07587	0.4
129.07014	0.7
131.08568	2.9
133.06499	0.4
133.10133	8.7
133.11087	0.7
135.08051	1.6
135.11687	3.8
137.09630	0.6
139.07538	0.9
141.07062	0.4
142.07747	0.5
143.08568	1.7
145.06454	0.5
145.10136	5.7
147.08064	0.6
147.11682	4.3
149.09639	1.9
149.13242	2.0
151.11092	0.5
153.09142	0.5
155.08559	1.2
157.10159	2.8
158.10922	0.4
159.08043	0.5
159.11707	2.9
161.09628	2.8
161.13268	3.2
163.11209	1.0
163.14809	1.0
169.10172	1.3
170.10928	0.4
171.11668	2.6
173.09622	1.0
173.13278	4.2
175.11270	1.0
175.13336	0.3
175.13614	0.2
175.14830	7.1
177.12740	1.1
177.16428	1.0
181.10091	0.6
183.11681	2.0
185.13271	1.9
187.11215	1.1
187.14821	5.5
189.12758	1.3
189.16399	7.5
191.14348	0.9
191.17947	1.4
193.15892	1.0
195.11603	0.6
197.13251	1.7
199.11230	0.4
199.14822	2.9
201.12726	1.3
201.14545	0.3
201.16409	1.3
203.14372	1.1
205.15904	1.4
207.17412	0.5
209.13216	0.5
211.14798	1.2
213.12801	0.4
213.16422	1.2
215.14342	3.7
215.17982	0.7
217.15878	3.1
219.13771	0.4
223.16978	0.4
225.16371	0.8
227.17973	1.2
229.16002	0.7
229.19603	0.5
233.15366	1.9
235.14877	0.4
235.16966	1.2
239.17949	0.5
241.19534	0.9
243.17464	0.5
245.06664	0.4
251.16447	2.6
253.19543	1.8
265.19537	0.8
267.21109	0.5
271.20621	1.7
273.18604	0.7
285.22092	0.5
289.17783	0.5
297.22122	0.4
299.20151	0.5
317.21246	0.8
376.21823	0.4
405.31482	2.3
423.33127	1.8
433.31274	1.9
439.32214	0.6
441.33597	3.6
451.26263	0.7
451.32068	8.1
469.33151	5.1
487.34204	100.0
488.34512	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
53.81428	5.0
54.16288	4.8
55.05502	24.0
56.96582	9.3
66.57510	5.0
67.05515	34.9
69.03429	13.7
69.07078	30.1
69.32323	53.1
72.08144	11.1
79.05497	28.7
81.07064	63.2
83.04980	6.9
83.08609	18.2
84.08118	15.2
85.02907	12.1
85.06557	11.3
87.74150	5.4
91.05478	30.6
93.07051	51.1
95.04960	13.3
95.08613	100.0
97.02908	6.3
97.06549	5.9
98.21111	27.4
100.36453	5.0
101.06037	7.1
105.07034	82.4
107.08608	69.3
109.06535	12.2
109.10163	59.3
111.08083	7.0
114.10312	56.8
117.07018	12.4
119.08594	96.8
121.06503	24.0
121.10155	72.5
123.08035	8.4
123.11700	20.2
128.10722	7.8
129.07007	9.5
131.08585	32.8
133.10149	84.3
135.08012	14.8
135.11708	46.3
137.09589	9.3
139.07495	6.4
143.08553	13.9
143.69661	5.2
145.10133	68.6
147.11696	55.0
147.28203	6.3
148.12029	7.8
149.09639	11.5
149.13255	16.4
156.09370	9.3
157.10123	25.2
159.11693	54.9
161.09595	14.0
161.13293	20.9
163.03886	9.2
163.11205	15.9
163.14828	25.5
164.27646	5.8
169.10071	9.6
171.11670	25.1
172.12451	6.7
173.13313	40.7
175.11261	8.7
175.14861	42.5
177.09157	9.4
177.16455	25.9
185.13298	15.3
187.14848	82.7
189.16414	34.1
191.14316	10.3
193.15935	13.5
197.13243	13.5
199.14827	23.4
201.16393	57.6
203.14340	13.0
203.18011	22.7
204.18359	9.5
205.15938	16.4
207.17480	5.7
211.14772	6.8
213.16405	12.1
215.14285	8.6
215.17998	15.3
217.15891	23.1
225.16185	10.4
227.17870	8.1
229.19539	25.7
231.17435	12.2
233.15460	8.1
235.16939	33.1
247.16946	42.3
248.83669	5.6
251.16356	27.1
253.19669	7.3
293.21179	7.5
309.22208	6.8
327.23193	9.3
345.24158	8.8
387.30582	8.3
405.31476	37.8
423.32608	62.3
433.31119	35.7
441.33609	93.3
451.32068	54.1
469.33124	47.6
469.92245	6.1
487.34024	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	487.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57655	0.3
55.05523	0.7
56.31797	0.3
57.07082	0.9
65.03923	1.0
67.05502	0.6
69.07059	1.1
71.08626	0.9
71.49950	0.5
77.13712	0.3
79.05473	0.4
81.07068	0.9
81.38092	0.3
81.52370	0.3
83.08612	0.9
85.10174	0.3
87.04483	0.9
91.05489	9.6
95.08605	0.8
97.10149	0.9
98.21281	0.4
105.07011	0.5
107.08630	0.6
109.10160	0.3
111.11710	0.3
116.41283	0.3
119.04953	22.2
121.10168	0.4
125.13304	0.4
138.35100	0.3
144.33640	0.3
147.04420	100.0
148.04761	0.5
161.13335	0.4
165.05499	1.0
175.14821	0.3
219.53954	0.4
381.25308	0.3
487.36057	3.8
487.48233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03937	2.9
54.51270	1.4
55.05505	6.7
57.07077	3.8
57.56480	1.5
65.03928	2.5
67.05517	9.6
69.07072	10.0
70.95483	3.7
72.24419	1.7
79.05493	15.1
81.07063	18.9
83.04961	4.1
83.08610	5.1
84.08180	1.8
85.02877	2.6
85.06551	2.5
91.05476	18.2
93.07053	29.8
95.04983	2.2
95.08619	25.9
97.06519	3.7
99.08108	15.0
105.07038	41.9
105.07721	1.5
107.08607	70.1
109.06526	2.3
109.10155	15.0
111.04465	1.6
111.08080	5.4
111.08844	1.9
114.10301	4.1
117.07027	3.7
119.08591	100.0
121.06514	3.8
121.10152	32.3
123.08076	5.7
123.11696	5.4
125.09643	3.1
129.06975	2.6
131.07564	3.1
131.08574	39.9
133.10136	48.1
135.08058	29.5
135.11707	35.3
137.09589	4.6
137.13254	4.7
143.08551	7.2
145.10132	31.8
147.08006	2.7
147.11703	61.1
149.09619	7.6
149.13263	14.5
151.07544	2.0
156.09346	2.4
157.10152	8.6
159.11710	32.0
161.09637	9.2
161.13261	27.7
163.11195	9.9
163.14847	12.2
169.10060	3.9
171.11719	6.7
172.12424	2.6
173.13283	23.7
175.11195	9.8
175.14835	20.0
177.12758	5.9
177.16418	6.6
179.10674	2.6
179.14342	9.4
183.11714	3.7
184.12350	1.9
185.13319	12.5
187.14833	85.4
189.12730	3.0
189.16400	23.3
191.14320	16.8
193.12369	2.2
193.15897	3.9
197.13184	3.0
199.14832	10.9
201.12709	2.0
201.16391	59.9
203.14319	18.8
203.17947	3.9
205.15900	31.6
207.17462	5.5
211.14868	3.6
213.16365	8.7
215.14378	2.2
215.17992	3.4
217.15843	10.8
219.17413	7.7
221.13354	3.0
221.15382	34.9
224.40038	1.8
225.16347	2.4
227.17970	3.5
229.15901	15.3
229.19431	3.4
231.17552	9.3
235.16945	8.6
243.17365	2.8
247.16943	8.2
259.20514	2.6
261.18457	4.5
269.22845	1.9
333.25671	3.0
351.26859	2.6
369.27850	4.3
387.30374	4.9
405.26538	3.2
405.31546	40.5
423.32626	86.1
441.33655	48.6
451.32175	17.1
469.33139	32.0
487.33951	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26392	1.8
53.03937	3.6
55.01862	2.4
55.05516	9.2
57.03421	7.6
61.53579	2.1
65.03949	1.9
67.05499	9.7
68.40140	1.8
69.03419	7.7
69.07059	8.7
70.06572	2.4
71.04993	16.7
71.24729	3.0
73.02914	2.1
75.04478	4.4
79.05486	16.0
81.03401	7.5
81.07064	27.1
83.04975	7.1
83.08620	4.6
85.02493	2.3
85.02911	25.2
85.06538	2.4
86.09707	2.6
87.04448	1.9
89.03924	4.1
89.34945	1.7
90.03398	1.8
91.05474	28.8
93.07052	24.3
94.04159	2.2
95.04984	6.4
95.08620	41.7
97.02894	27.4
97.06551	3.8
99.08089	3.7
103.05442	7.5
105.03413	1.9
105.06393	3.0
105.07042	42.3
107.04939	6.5
107.08592	43.2
109.02857	2.6
109.06512	5.9
109.10155	23.9
110.29073	1.9
111.08052	3.5
113.97518	1.8
115.04002	2.1
115.05460	3.7
117.03368	7.0
117.07031	10.0
119.04935	8.1
119.07795	3.5
119.08588	52.4
121.06558	9.5
121.07281	1.8
121.10152	27.3
122.03626	6.5
123.04408	2.6
123.08084	3.4
123.11692	8.0
125.09673	4.5
127.03913	4.6
128.06207	3.3
129.05504	3.3
129.07025	6.9
131.04942	5.5
131.08582	26.0
132.05753	3.0
133.02850	16.3
133.06546	3.3
133.10132	31.9
135.04388	4.4
135.08034	12.2
135.11691	8.8
137.05983	100.0
137.09604	5.5
141.07028	2.0
142.07780	2.4
143.08554	10.3
145.02876	11.7
145.10127	42.2
147.04413	5.3
147.08002	4.2
147.11713	21.7
149.05972	8.9
149.09572	2.4
149.13268	9.2
150.06810	3.0
151.03981	2.2
151.11192	2.4
155.08522	2.7
156.09328	2.0
157.10123	13.3
159.08080	2.7
159.11713	27.6
161.05954	11.9
161.09601	4.4
161.13226	16.3
163.03917	14.7
163.07552	28.9
163.11180	3.1
163.14861	14.9
164.07059	2.2
165.05466	3.6
171.11670	8.2
173.06013	3.4
173.13272	26.6
175.03940	10.5
175.07574	31.6
175.11258	4.7
175.14844	21.8
177.05508	14.9
177.12752	3.0
177.16396	12.2
178.07732	2.1
180.06490	2.3
181.08600	3.7
183.11694	3.0
185.13312	10.2
186.03171	2.9
187.07515	5.5
187.14839	56.1
189.12778	3.7
189.16365	19.3
191.14339	19.1
191.18001	11.6
197.13213	3.9
199.07510	10.4
199.14841	17.7
201.05473	30.6
201.12918	2.0
201.16418	36.1
202.07800	3.2
203.14267	11.2
203.17981	27.4
205.06505	4.3
205.15907	32.9
209.15340	9.6
211.14793	4.0
213.05380	3.4
213.16411	6.0
215.14288	2.3
215.17950	6.3
217.15895	8.7
219.08153	3.0
219.13850	2.7
219.17455	2.9
221.13371	2.1
221.15416	8.7
223.05977	2.1
225.16344	2.1
227.17932	2.2
229.19469	3.7
231.08148	3.9
231.17503	2.3
233.05949	4.4
233.19058	3.1
234.06789	5.2
235.07539	2.3
235.16864	3.8
247.07611	3.2
247.17046	5.2
248.08363	3.4
250.06203	3.1
251.07007	3.1
259.07584	3.8
262.06302	6.0
263.07135	2.8
265.08582	3.6
277.08478	9.7
279.10199	4.8
290.05728	10.0
291.10123	5.9
292.07135	2.3
293.08142	7.8
297.07663	3.8
305.08130	18.6
307.09488	4.2
309.11029	3.9
311.12778	7.2
312.91443	2.0
319.09882	2.3
321.11258	2.2
323.12820	10.5
325.10556	16.7
325.13565	2.1
337.10767	20.7
354.46649	2.3
355.11761	12.8
363.11880	2.0
389.31836	2.2
405.31461	18.0
407.32950	6.3
421.12805	3.1
423.32523	8.6
425.34106	2.7
433.12378	2.7
433.30862	5.0
439.32001	2.6
441.33755	4.8
443.35040	2.0
451.13855	3.0
451.32138	17.3
469.15332	4.5
469.33115	6.3
487.16290	13.0
487.23206	2.3
487.33786	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03956	3.4
55.05503	11.7
57.07082	4.5
60.58972	2.7
67.05510	21.5
69.03428	3.5
69.07064	12.4
69.50210	7.7
69.50628	13.6
69.91906	2.6
71.04944	3.7
79.05505	17.0
81.07067	24.5
83.05004	3.9
83.08633	5.6
84.08160	5.6
85.02911	4.6
85.06558	10.3
91.05485	20.9
93.07060	41.6
95.08608	33.8
97.06508	3.4
99.08091	18.6
105.07037	46.9
107.08595	54.3
109.06510	2.9
109.10168	36.5
111.08060	3.6
114.10308	15.6
117.07021	9.1
119.08585	63.7
121.06542	18.9
121.10139	32.2
123.11706	13.0
125.09651	3.7
129.07042	5.0
131.08572	29.2
133.10139	44.7
135.08041	6.3
135.11678	22.9
137.09605	5.1
142.07712	4.2
143.08577	9.4
144.08099	4.1
145.10136	53.9
147.08087	3.1
147.11711	64.0
149.13290	8.8
151.11230	6.4
153.12756	5.0
155.08470	3.9
156.09361	7.0
157.10092	24.0
159.11699	38.5
161.09570	3.5
161.13298	22.2
163.11171	5.8
163.14812	7.2
165.12811	3.8
169.10141	7.0
170.10892	5.1
171.11702	19.1
173.13263	24.5
175.11250	3.1
175.14809	11.1
177.12793	6.8
177.16420	12.9
179.14233	4.7
180.06723	3.8
183.11684	20.0
185.13315	28.9
187.11253	4.9
187.14838	52.9
189.12817	4.0
189.16422	16.2
191.14261	5.5
195.13806	9.8
197.13228	16.3
199.14818	32.3
201.16425	33.7
203.14294	6.4
205.15869	31.4
207.11765	3.4
207.13756	3.5
207.17366	5.2
208.13869	3.8
209.13243	5.0
211.14807	8.5
213.16350	14.8
215.14317	4.1
215.17941	7.4
217.15898	10.7
219.17433	14.1
223.14928	4.2
223.16945	12.3
225.16431	6.3
227.18039	7.2
229.19380	3.6
231.17514	4.9
239.17886	5.4
241.19510	4.4
243.17458	5.7
245.18997	5.5
253.19579	12.0
264.08719	3.4
265.12552	3.8
265.19556	5.4
267.20947	5.0
271.20621	7.2
283.20563	51.1
301.21677	13.3
306.13293	5.9
307.13638	11.1
309.22241	5.1
351.26868	9.6
369.27866	14.1
387.30438	4.3
405.31589	35.7
423.32611	54.7
433.30984	4.2
441.33640	100.0
451.32159	19.2
469.33096	12.2
487.21783	7.5
487.27762	4.7
487.33890	13.9
488.22794	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	487.3424
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03941	3.1
55.05511	17.4
56.96583	7.3
57.03419	2.5
57.07080	11.2
65.03947	6.0
65.94410	2.4
66.50417	2.3
67.05511	32.2
68.05865	3.0
69.03440	10.3
69.07074	17.1
69.08099	3.0
70.70101	6.2
70.70441	4.3
71.05012	3.6
73.55080	2.3
73.86446	2.6
79.05491	23.5
81.03431	7.5
81.07064	51.3
81.07522	4.0
83.05014	6.8
83.08639	12.2
85.02946	10.2
85.06555	16.4
86.06881	3.9
87.04491	3.0
88.16277	2.8
91.05479	43.5
93.07046	49.1
94.87218	2.9
95.04990	8.2
95.08619	61.7
97.02902	42.1
97.06567	8.9
97.10212	3.7
97.63721	2.5
98.97617	7.4
99.08107	5.3
103.05469	6.5
105.07047	63.0
105.79557	2.7
107.08601	85.5
107.09270	6.2
109.02924	3.5
109.06554	9.0
109.10166	32.7
111.08147	7.9
115.05532	3.7
116.98653	3.7
117.03412	4.9
117.07057	12.5
119.05013	3.6
119.08591	95.3
121.06517	31.5
121.10152	46.2
122.06939	3.7
123.08083	7.9
123.11710	21.2
125.03557	2.7
125.08852	2.6
125.09673	14.7
127.03976	3.2
128.06267	3.3
129.07059	7.4
130.07750	4.2
131.08569	36.3
133.10149	51.8
133.11067	4.4
135.08099	8.5
135.11682	32.6
137.05986	25.3
137.09677	6.7
142.07791	5.1
143.08566	24.5
143.84023	2.7
144.09398	3.2
145.02870	8.3
145.10139	60.1
147.04422	5.2
147.11707	47.4
149.09657	5.4
149.13257	18.9
151.11275	5.7
152.19527	2.6
153.09174	3.9
155.08549	4.6
156.09384	5.5
157.10152	32.4
158.11035	4.0
159.11708	50.1
161.05998	4.3
161.09712	5.2
161.13255	29.2
163.03992	8.2
163.07567	17.6
163.11290	5.2
163.14796	16.9
167.07109	6.3
169.10187	7.5
170.11008	4.1
171.11740	24.3
173.13284	44.0
175.11276	4.2
175.14825	45.6
177.05580	9.9
177.12845	4.6
177.16397	15.6
180.06538	15.0
181.06992	5.5
183.11795	11.7
185.13271	36.5
187.14828	59.8
189.12822	3.3
189.16434	24.1
191.14345	18.4
191.18036	6.0
193.15994	8.5
197.13362	9.7
199.14804	31.2
201.05518	21.6
201.12953	8.5
201.16412	51.3
203.14355	32.2
203.15965	3.1
203.16367	2.8
203.17984	18.2
205.15860	35.4
207.17490	7.3
209.13376	3.7
211.14925	8.6
213.05705	3.2
213.16354	18.1
215.14436	4.3
215.18109	8.6
217.15981	8.4
219.01750	3.8
219.13986	4.9
219.17545	13.2
221.15546	5.9
223.14949	5.2
225.16475	7.1
227.18025	8.2
229.16061	3.9
231.13974	4.5
231.17404	5.3
233.06076	4.0
233.15453	7.8
234.06985	4.4
235.07504	3.1
235.17030	5.4
237.16577	4.5
239.18076	7.7
243.17628	4.8
245.15298	14.1
245.19160	3.6
247.17102	6.5
249.14783	16.6
253.19562	5.5
259.17108	9.1
262.06363	8.8
264.12454	11.4
265.12802	8.9
277.08676	6.9
278.29254	3.2
290.05927	6.5
299.20450	3.3
305.08334	12.4
306.13361	25.1
307.13751	43.0
308.11429	3.1
325.10693	3.7
325.21854	3.3
336.14679	3.3
337.10684	16.7
339.23166	3.2
355.11841	13.5
387.30771	6.7
393.31671	4.9
405.31601	52.2
405.36414	4.4
406.19479	4.1
407.33331	4.2
413.17981	6.9
421.12473	3.2
421.30817	6.0
423.32864	24.2
433.31143	24.5
439.32150	6.1
441.33978	10.3
451.32239	39.3
459.09875	4.0
469.33499	38.5
487.34387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.10190	3.9
53.03958	4.6
55.05503	16.8
55.87701	4.5
57.07063	4.1
59.84122	4.8
67.05515	22.1
69.03415	7.9
69.07063	20.0
69.51237	31.3
71.04981	9.2
72.08150	5.8
77.03947	4.3
79.05502	24.5
80.74673	4.4
81.07063	57.9
83.04998	5.2
83.08605	14.7
84.08125	17.6
85.06529	7.0
91.05488	32.9
92.97757	5.3
93.07047	55.2
95.04957	7.9
95.08610	71.7
99.08104	8.6
103.05471	4.8
105.07035	73.2
107.08601	76.1
109.06548	9.9
109.10169	42.4
111.08068	8.8
114.10290	11.5
117.07001	12.4
119.08593	100.0
121.06488	34.8
121.10146	57.7
123.08090	7.5
123.11707	17.1
125.09614	13.3
128.10699	7.7
129.06950	6.4
131.08583	45.3
133.10141	62.7
135.11729	29.8
137.05945	8.5
137.09599	6.7
139.07570	4.6
142.07744	8.6
143.08578	24.3
144.08080	4.9
145.10141	79.5
147.11667	42.4
149.13245	16.6
151.07484	6.1
155.08464	5.5
157.10117	20.5
159.11688	46.9
161.09596	7.5
161.13249	35.2
163.03903	7.5
163.11189	6.9
163.14796	21.1
164.07054	6.6
169.10193	5.8
171.11662	21.1
173.13254	46.2
175.14813	46.2
177.12727	6.3
177.16444	21.5
182.11014	4.1
183.11726	9.4
185.13257	41.7
187.14813	94.8
189.12698	6.5
189.16379	36.6
191.14301	18.6
191.17941	18.9
195.13806	5.2
197.13222	10.7
199.14867	28.9
201.16394	73.3
203.14320	19.8
203.17967	45.1
205.15880	35.9
207.17267	4.8
209.13298	6.2
209.15334	9.2
213.16422	23.3
215.14383	7.9
215.18008	13.7
217.15881	13.7
219.17479	9.2
221.15269	7.5
221.18979	6.7
227.17923	8.4
229.34444	4.5
231.17455	5.9
233.18971	5.3
235.17020	4.5
241.19521	7.0
245.15398	7.7
247.16783	6.2
249.14842	11.9
251.17889	4.6
267.21133	4.4
283.20587	11.6
301.21579	5.2
307.13416	6.2
387.30548	6.7
405.31555	38.5
407.33145	10.7
415.29443	5.1
423.32510	20.2
433.30991	15.6
433.94876	4.8
439.32028	5.9
441.33585	36.9
443.35004	7.0
451.32162	35.4
469.32886	19.1
487.21524	32.7
487.34290	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	487.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01879	1.6
55.05515	6.8
57.03436	6.7
57.07079	1.8
65.03941	2.5
67.05515	9.6
69.03441	7.7
69.07078	10.1
69.61843	8.0
71.05001	20.9
73.02906	3.3
75.04475	2.8
77.03942	1.5
79.05498	13.0
81.03413	5.5
81.07069	19.6
82.65423	1.4
83.04982	6.7
83.08623	5.2
85.02419	2.4
85.02908	27.9
86.09704	2.6
89.03915	2.3
91.05482	18.9
93.07052	23.6
94.04201	2.9
95.04984	3.6
95.08616	26.6
97.02895	23.9
97.06519	2.8
97.10180	1.8
99.04448	1.8
99.08109	1.9
103.05444	6.8
105.07042	33.9
107.04956	6.1
107.08602	40.8
109.02876	2.2
109.06516	5.1
109.10175	18.2
110.07156	1.5
111.08055	2.7
115.05463	3.8
117.03401	5.2
117.07045	8.8
119.04974	5.4
119.08591	43.1
121.06473	7.4
121.10149	19.9
122.03670	6.4
123.08094	2.4
123.11692	8.3
125.09664	3.4
127.03920	4.4
128.04567	2.2
128.06207	3.2
129.05444	3.5
129.07019	3.6
131.04955	6.6
131.08597	25.3
132.05757	1.7
133.02869	13.8
133.06497	3.3
133.10143	34.4
135.04439	4.2
135.08066	9.9
135.11687	7.3
137.05991	100.0
137.09607	7.6
138.06291	1.5
141.07071	2.1
142.07819	2.0
143.04926	1.7
143.08595	7.4
145.02846	6.8
145.09030	2.7
145.10136	35.2
145.11287	2.3
147.04436	5.2
147.08046	4.7
147.11705	20.4
149.06004	7.9
149.09612	3.3
149.13277	11.3
151.03914	2.6
151.07552	1.8
153.09163	2.1
155.08678	2.3
156.09377	1.8
157.10187	11.8
158.10918	1.9
159.08098	1.6
159.11699	22.5
160.05228	2.9
161.06013	11.9
161.09650	2.8
161.13258	12.4
162.06712	2.1
163.03922	11.5
163.07564	20.2
163.11203	2.1
163.14824	9.2
164.06975	1.8
165.05573	1.8
169.10088	2.2
171.11737	7.6
173.05992	6.1
173.13263	22.1
175.03941	6.3
175.07568	35.4
175.14845	17.8
177.05478	12.3
177.12741	2.7
177.16417	11.6
180.06549	1.8
181.04915	2.2
181.08630	3.6
183.11757	2.5
185.13263	9.8
187.07576	3.7
187.14839	46.9
189.12756	2.0
189.16406	15.2
191.07042	2.0
191.08591	3.7
191.14294	9.6
191.17953	7.6
193.15968	1.7
197.13243	3.9
199.07582	12.4
199.14810	12.4
201.05453	28.9
201.07172	2.5
201.09093	2.5
201.12721	1.7
201.16397	31.0
202.07899	2.3
203.08527	6.8
203.14352	9.3
203.17967	24.8
205.06493	3.2
205.15880	26.7
205.19522	1.8
207.06514	2.2
207.17419	2.2
209.13475	2.6
209.15410	8.2
211.07678	1.7
213.05501	3.4
213.16434	7.1
215.07051	1.8
215.14319	1.9
215.18036	4.4
217.06712	1.5
217.15886	8.0
217.19400	1.8
219.08130	3.8
219.17441	3.1
221.15398	4.2
227.17952	2.7
229.15915	3.8
231.08145	4.0
232.08948	1.7
233.06110	3.7
233.15211	1.7
233.19017	2.3
234.06816	8.9
235.07552	2.4
235.16959	3.2
237.09116	1.8
245.15529	1.9
247.17064	3.0
248.08263	3.0
249.09129	3.4
251.10802	3.6
259.07608	6.3
262.06366	6.1
263.07089	2.6
263.10693	3.7
265.08704	4.7
266.09265	1.9
275.07333	1.9
276.07794	2.8
277.08493	8.4
279.06711	2.4
279.10193	3.4
290.05664	9.7
291.10275	9.8
292.10941	2.7
293.08124	4.9
294.08716	1.9
295.09732	2.7
297.07486	2.9
305.08096	17.9
307.09625	6.1
311.12808	6.6
322.08163	2.4
323.09473	2.2
323.12766	11.5
325.10629	16.2
325.13940	2.0
337.10754	25.4
355.11835	13.3
387.30377	2.0
393.31723	3.1
395.33099	2.6
405.31616	11.8
407.33112	5.6
421.12698	5.2
423.32697	7.0
425.34256	2.2
433.12949	3.0
433.31146	3.0
441.33450	4.1
443.35309	2.2
451.13892	2.2
451.32220	12.3
469.15320	3.2
469.33401	11.3
487.16223	12.5
487.24469	2.9
487.34055	1.7
507.46066	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
59.03570	0.4
64.85686	0.5
66.90452	0.4
70.80728	0.6
70.81067	0.9
87.04475	42.4
91.05477	3.0
93.07037	4.4
95.04964	1.2
103.05467	3.6
107.07397	0.5
108.08089	0.7
118.06564	0.9
120.04447	1.1
121.06511	22.6
123.36719	0.5
130.64688	0.4
136.07585	0.8
144.04437	1.2
146.06079	3.6
148.03949	2.3
151.06294	1.4
152.07074	2.2
155.99849	0.4
162.05513	1.2
164.07033	1.6
166.05023	4.3
172.03888	0.7
176.07053	2.0
178.07227	0.8
178.08658	8.1
180.06570	57.9
190.05016	1.5
194.08124	0.9
201.69771	0.5
204.06613	0.9
208.06100	1.4
210.11154	0.6
222.07625	11.8
252.08774	2.8
266.10266	32.0
290.13950	1.4
292.15466	3.5
294.09875	2.9
308.11301	100.0
309.11536	1.0
318.13538	1.7
329.31046	0.6
336.14432	7.6
350.16049	0.8
368.13251	0.8
414.15485	13.5
488.23233	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	488.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
54.79342	0.2
57.15239	0.2
62.77299	0.2
69.31914	1.9
69.86728	0.3
87.04471	41.7
91.05473	1.6
93.07048	2.3
95.04966	0.4
98.20708	0.4
103.05465	1.7
107.07326	1.0
108.08105	0.8
117.76041	0.2
120.04465	1.0
121.06512	14.7
136.07587	0.5
138.05469	0.3
148.03931	2.0
151.06281	0.9
152.07080	2.3
164.07076	1.0
166.05014	4.1
178.08607	0.8
180.06561	57.5
181.06918	0.4
190.04959	0.8
194.08156	0.7
208.06073	1.9
217.74828	0.2
222.07623	11.4
250.10750	0.8
252.08707	2.9
266.10245	32.6
294.09738	2.9
308.11282	100.0
309.11591	1.1
328.11618	0.3
368.13538	0.3
372.14365	1.0
414.15485	12.1
428.16989	0.6
446.17841	0.6
488.12613	0.3
488.19043	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	488.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
53.98234	0.4
55.05511	0.7
56.56977	0.4
57.03438	0.5
67.05505	2.7
69.03435	0.7
69.07068	1.1
71.04984	0.8
71.57048	0.5
79.05493	1.4
81.07062	3.0
83.04985	0.8
85.02891	1.1
85.06541	0.8
86.05573	0.7
86.06075	9.4
87.04472	40.7
87.06364	2.3
91.05485	4.9
92.05064	0.4
93.07060	4.5
95.04979	0.6
95.08618	1.0
99.08074	0.6
103.05461	2.2
105.07040	5.2
105.07694	0.6
107.07345	0.6
107.08594	4.9
108.08105	0.8
109.06487	0.6
109.10156	7.7
111.78842	0.4
113.11948	0.4
119.08601	1.4
120.04475	0.8
121.06512	16.7
121.10190	0.5
123.04398	0.4
123.08053	0.4
123.11698	1.0
131.08580	0.4
133.10138	16.4
136.07573	1.0
145.10153	0.8
146.10384	0.5
147.11676	0.9
148.03955	1.7
151.06261	0.9
151.11191	18.0
152.07042	2.3
159.11690	0.8
162.05566	0.5
163.04042	0.4
164.07063	1.7
166.05002	3.9
169.12224	7.6
171.11732	0.6
173.13216	0.6
178.08629	1.0
180.06563	58.6
187.13307	8.6
187.14920	0.7
188.15164	0.5
190.04970	1.5
194.08191	0.4
201.16374	0.7
208.06189	1.8
222.07626	10.7
250.10802	0.8
252.08607	2.4
266.10236	29.8
294.09671	3.1
307.12799	1.7
308.11258	100.0
309.11859	0.7
309.16907	0.5
368.13254	0.6
372.14392	0.8
414.15445	12.1
424.32816	0.6
441.33850	0.6
442.33844	2.0
488.18622	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13622	0.5
59.84145	0.5
67.05482	0.5
69.24770	4.8
80.07828	0.6
87.04472	40.2
91.05478	2.4
91.28420	0.5
93.07040	2.6
95.04923	0.7
103.05463	2.1
107.07347	0.6
108.08117	0.8
109.61034	0.5
120.04458	1.2
121.06516	15.7
129.41486	0.5
136.07562	0.8
148.03944	2.4
152.07042	2.3
164.07109	1.0
166.04984	3.6
178.08725	0.9
180.06566	63.2
208.05936	0.9
214.74034	0.5
222.07619	10.5
252.08755	3.5
266.10251	33.8
294.09793	2.8
302.06158	0.7
308.11292	100.0
309.11710	1.2
313.34976	0.5
372.14383	0.7
414.15555	12.9
488.18933	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85421	0.4
51.02354	0.6
53.03910	2.9
55.01838	1.2
55.05481	0.6
55.72712	0.4
59.04954	0.5
69.07076	4.0
69.32743	3.7
71.56949	0.4
71.57405	0.4
73.02914	2.9
73.06571	2.6
81.03393	0.7
87.04478	36.4
91.05490	9.0
93.07054	12.3
95.04989	3.3
97.06503	0.7
103.05472	10.4
105.04519	1.1
107.07296	0.9
108.08080	0.8
115.97980	0.5
116.04951	0.8
117.05718	0.8
118.06541	3.1
120.04451	1.0
121.06518	56.0
133.56378	0.5
134.09682	0.4
144.04460	4.8
146.06024	13.4
148.03987	2.1
151.06215	0.9
152.07054	2.7
162.05525	4.2
164.07022	1.1
166.04996	4.8
172.03905	2.5
176.07086	6.4
178.08646	30.3
180.06570	56.1
190.05023	2.3
194.08076	1.0
199.75421	0.5
204.06541	1.9
208.06081	1.4
210.11191	0.6
222.07625	12.0
250.10716	0.6
252.08620	2.3
258.11169	1.8
266.10254	29.0
276.12299	4.7
286.10815	1.6
290.11047	0.3
290.13882	13.4
292.15442	41.1
294.09723	2.6
304.11795	3.5
308.11307	100.0
309.11774	0.8
318.13406	8.4
324.17993	2.1
336.14432	46.3
337.14819	0.6
350.15891	2.1
368.17020	0.9
372.14560	1.0
414.15549	12.6
428.17215	0.7
446.17877	0.7
456.20352	2.9
485.76511	0.5
488.22885	91.1
489.23169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2285
Annotation	Fiscalin C
Peak:m/z	Relative Intensity
51.02388	0.9
53.03950	2.3
55.01871	1.3
59.04982	0.4
62.20361	0.5
63.35257	0.4
69.07078	4.9
71.00899	1.1
73.02926	3.5
73.06570	2.8
81.03429	0.5
83.42932	0.4
87.04477	12.0
91.05492	9.9
93.07050	12.5
95.04982	2.9
100.62347	0.4
103.05479	10.0
105.04513	1.0
108.08160	0.5
112.92356	0.5
116.04967	0.6
117.05772	1.3
118.06536	3.5
120.04485	0.8
121.06519	54.7
125.58089	0.4
125.73733	0.4
130.06691	0.5
134.09698	1.1
136.26648	0.4
144.04477	6.1
146.06021	16.4
148.03900	0.6
152.07120	0.9
162.05522	4.3
164.07060	0.6
166.05045	1.3
172.03934	2.7
174.05560	0.6
176.07080	7.1
178.08649	38.3
180.06569	15.9
190.05042	1.8
194.08160	1.0
200.05083	0.5
204.06526	2.3
222.07599	4.2
252.08698	0.7
258.11398	1.5
260.12750	0.9
266.10269	8.7
276.12280	5.8
286.10739	2.5
290.13882	17.0
292.15448	47.8
294.09647	0.9
304.11780	3.3
308.11316	27.9
318.13397	11.4
324.18143	3.5
336.14435	56.7
337.14844	0.6
350.16031	2.3
368.17261	0.8
414.15338	3.4
456.20395	4.2
488.22855	100.0
489.23233	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	488.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
59.04985	0.5
65.03918	0.4
69.07070	4.0
71.10769	0.7
73.06567	2.2
77.03938	0.6
79.05494	0.4
91.05486	8.3
92.05007	0.7
93.06474	0.6
93.07048	10.1
95.04977	2.1
103.05478	7.9
105.04509	1.1
115.07555	0.5
116.04967	0.8
117.05769	1.3
118.06563	3.5
120.04529	0.5
121.06513	43.2
121.80923	0.3
134.09630	0.7
144.04456	6.9
146.06024	16.1
162.05501	4.7
164.07083	0.5
171.82013	0.4
172.03925	3.6
176.07083	10.4
178.08643	47.8
180.06613	0.6
190.05040	2.4
204.06561	5.3
210.11269	1.2
216.71642	0.3
222.07608	6.5
236.09235	0.4
258.11319	0.4
276.12329	2.5
286.10815	0.9
290.13898	8.6
292.15454	23.2
304.11862	2.7
318.13385	8.4
324.18100	1.5
336.14420	50.0
337.14951	0.7
349.46216	0.3
350.15982	2.5
368.16998	1.3
456.20184	3.2
488.22818	100.0
489.23135	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97856	0.8
53.03933	1.3
55.05509	2.3
57.03433	1.0
67.05172	1.0
67.05511	14.2
69.03432	2.0
69.07070	3.2
70.85437	2.3
71.05017	1.5
77.03948	1.0
79.05495	6.1
81.03382	0.9
81.07059	13.3
83.04996	3.7
85.02917	6.9
85.06532	1.0
87.04491	4.5
91.05492	20.1
93.07059	8.1
95.04972	1.3
95.08600	2.4
97.02891	1.7
99.04501	1.0
103.05398	0.9
105.03413	1.1
105.07037	24.4
107.08603	22.4
109.06535	1.4
109.10166	43.5
118.06509	0.9
119.04959	1.5
121.06501	6.0
121.10162	1.5
123.04456	1.2
123.11712	4.9
127.03941	1.1
130.06543	0.8
131.08609	1.1
133.10136	88.0
142.11841	0.7
145.10185	0.8
147.04404	4.9
148.04762	2.2
151.11192	100.0
164.07092	1.3
169.12256	50.4
180.06535	6.4
186.39127	0.9
187.13310	35.6
222.07556	1.5
266.10245	2.9
291.15930	2.3
294.09882	0.8
308.11246	11.5
308.14429	1.0
309.16956	3.3
326.14630	1.4
336.14590	1.0
353.10770	0.8
414.15555	1.7
442.34296	0.9
449.62729	0.9
455.30740	0.9
486.50000	1.0
488.19800	4.5
507.85007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27206	1.4
51.29204	1.3
51.84450	1.5
55.05500	6.6
67.05511	11.5
69.03416	2.5
69.07063	5.5
69.89992	7.6
79.05497	7.1
81.07063	15.7
83.04984	1.6
83.08654	2.2
85.02910	1.9
91.05479	5.6
93.07043	19.1
95.04955	5.8
95.08618	22.0
96.08966	1.9
97.02901	10.4
97.06512	2.0
97.10152	1.4
99.08076	1.8
105.06378	1.7
105.07022	9.4
107.08575	14.6
108.08916	2.0
109.06531	3.4
109.10153	13.9
111.04422	2.2
111.08129	1.7
117.07009	2.0
119.08585	12.2
121.10139	15.3
122.10435	1.8
123.04430	21.9
123.11665	4.3
125.09673	2.0
127.03882	1.4
129.05467	1.5
129.07036	1.6
131.08548	4.3
133.10141	9.3
135.08069	2.2
135.11691	12.2
137.05971	3.3
137.09618	2.6
137.13254	2.0
139.03905	4.5
141.49666	1.7
143.08540	2.8
145.10112	6.8
147.11674	8.2
149.09538	1.6
149.13252	4.1
151.11172	1.5
157.05042	1.7
157.10143	2.2
159.11700	8.6
161.13261	6.6
163.14813	6.5
170.10919	1.9
171.11642	2.5
173.13246	5.1
175.11157	1.9
175.14809	5.0
177.16418	2.5
185.13231	2.9
187.14819	4.8
189.12726	1.9
189.16396	4.5
191.17920	7.1
199.14717	2.9
201.16356	4.9
203.14355	3.9
203.18073	2.0
205.15958	3.1
215.17937	2.0
217.15883	2.1
219.13808	1.9
231.13637	1.7
242.40472	1.5
243.20963	1.8
245.15375	2.4
261.22101	4.2
308.11047	2.2
324.19958	1.8
328.55225	1.7
424.32874	3.6
425.34094	4.3
435.32361	3.0
442.33997	5.3
452.32132	2.0
453.33267	6.2
470.33380	4.3
471.34756	100.0
472.35278	1.6
488.34985	13.6
488.41519	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	488.374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97638	1.3
55.05507	2.9
55.65622	1.6
63.16405	1.2
67.05510	7.0
69.03447	1.3
69.07066	5.2
69.61518	9.8
71.04983	2.1
79.05497	3.2
81.07057	13.7
81.47288	1.5
83.08611	3.3
91.05478	5.7
93.07065	11.7
95.04981	7.2
95.08613	20.2
97.02888	2.1
97.10198	2.4
97.20499	1.5
105.07036	10.0
107.08609	16.5
109.06500	1.7
109.10178	11.0
111.08112	1.7
117.07056	1.5
119.08595	14.5
120.08888	2.2
121.10146	13.1
123.04439	27.0
123.11723	5.3
131.08574	5.1
133.10129	9.9
134.26176	1.4
135.08116	1.7
135.11690	12.2
137.05974	4.9
137.13287	3.9
143.08559	2.6
145.10124	6.2
147.11679	4.9
149.13260	5.1
150.57402	1.2
151.07550	2.9
157.10193	3.3
157.25720	1.5
159.11740	8.0
160.18118	1.3
161.09709	1.8
161.13208	7.0
162.13686	1.3
163.14845	4.3
165.09076	4.5
171.11711	4.5
173.13240	5.0
175.14804	6.9
177.09131	1.9
177.12776	1.6
177.16260	1.6
181.10245	1.3
184.28922	1.3
184.48730	1.5
185.13292	3.1
187.14810	5.7
189.12775	2.7
189.16356	3.5
190.16737	2.1
191.17984	8.0
197.13271	1.7
199.14818	1.5
201.16257	1.6
203.14342	1.9
203.17990	6.0
205.15823	2.4
217.15891	2.4
217.19580	2.1
218.19788	1.8
229.19510	2.5
231.13866	1.8
233.15266	1.7
240.79193	1.3
245.15456	2.4
273.18567	2.0
401.50967	1.3
418.27747	1.8
424.33041	6.4
425.34171	2.4
435.32626	4.9
442.33899	3.7
453.33386	5.2
470.33658	12.8
471.34763	100.0
488.34396	5.6
488.42862	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80602	2.9
55.05504	5.3
57.07087	2.7
67.05495	10.2
68.05506	2.4
69.07056	9.5
69.25512	2.8
69.69675	6.6
69.70074	12.2
73.11298	3.1
74.98850	2.5
79.05489	13.5
81.07054	20.4
83.08614	3.7
91.05505	6.2
93.07048	21.1
95.08612	32.3
98.21520	2.8
105.07053	21.8
107.08611	32.0
109.06548	5.7
109.10139	17.2
119.08588	46.4
121.10150	23.5
123.11721	7.9
131.08565	9.5
133.10135	27.5
135.11681	11.8
143.08542	3.9
145.10147	20.6
147.11676	16.9
149.13269	21.6
152.94801	2.6
157.10194	6.7
159.11768	14.5
161.13277	13.1
163.14844	22.0
171.11684	6.7
173.13264	15.8
173.17792	2.8
175.14856	19.5
177.09111	3.8
177.16353	6.7
179.14207	4.9
180.72632	2.8
185.13216	3.8
187.14857	41.8
189.16414	51.5
199.14818	5.7
201.16383	24.9
203.17921	16.2
205.15964	4.4
207.17316	4.7
213.16377	4.2
215.17909	19.3
217.15814	5.2
227.17938	7.4
229.19536	12.0
231.83453	2.7
235.16931	9.2
241.19606	4.8
247.16937	14.4
249.18459	4.5
253.19513	3.0
255.20975	3.8
261.18527	38.4
271.26144	3.0
273.18582	3.5
294.97107	2.8
299.20044	3.7
353.25455	2.9
377.32135	18.0
389.31796	3.8
395.33160	3.6
407.33267	19.3
408.88574	2.9
423.32635	100.0
424.33069	3.9
425.34042	6.0
435.32489	8.6
441.33704	46.0
442.34070	5.4
443.35391	14.7
453.33768	14.5
471.34570	8.1
488.35013	6.1
506.43436	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	488.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.5
67.05500	8.1
68.56841	1.5
69.07059	7.2
69.45119	11.2
79.05498	5.4
81.07057	14.1
83.08607	3.2
91.05458	3.8
93.07058	14.6
95.04955	2.1
95.08607	21.9
97.06545	1.6
105.07016	14.2
106.18285	1.6
107.08596	25.8
109.06519	3.4
109.10167	12.1
111.08058	3.0
117.07051	2.4
119.08582	27.8
121.10155	17.7
123.04427	2.4
123.08056	3.0
123.11700	6.9
125.09634	7.9
131.08551	5.3
133.10127	18.3
135.11700	23.3
137.05986	4.8
137.09589	3.2
137.13287	2.7
137.65929	1.6
139.11212	4.8
143.08649	1.8
145.10132	10.5
147.11703	10.7
149.13235	8.3
151.11209	8.1
151.52983	1.6
153.12883	1.8
157.10179	5.6
159.11690	12.4
161.13222	17.3
163.14833	17.6
169.10106	2.1
171.11731	2.3
173.13295	7.2
175.14827	8.0
177.16277	2.2
179.14345	20.1
181.15886	3.3
185.13319	3.3
187.14813	10.7
189.12863	2.6
189.16385	12.5
191.17960	5.2
193.16013	2.1
199.14789	5.5
201.16397	18.5
203.17967	17.5
207.13687	3.0
213.16399	4.8
215.17941	7.7
217.15878	20.3
219.17598	1.7
227.17952	6.9
229.19571	2.5
235.16919	34.5
241.19672	1.7
247.16985	2.3
257.22586	2.3
261.18588	5.0
269.22641	3.8
295.28268	1.6
311.23672	2.7
327.23129	19.0
347.25717	1.7
377.32135	3.2
389.32077	2.1
407.33105	91.7
423.32605	15.0
425.34085	28.9
435.32642	2.7
441.33539	5.5
442.33884	4.4
443.35248	100.0
453.33673	2.6
470.33691	3.4
471.34875	12.6
488.34387	4.3
488.41040	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	489.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.1
55.01863	0.7
56.96894	0.5
58.04693	0.5
67.05489	2.0
69.03419	1.7
69.32949	5.3
71.04996	3.1
72.04524	10.3
72.08143	0.6
77.03934	0.9
79.05502	1.4
81.03397	1.6
83.04977	1.1
84.08161	7.7
85.02924	2.9
89.03927	8.3
91.05480	5.4
93.07043	6.3
95.04988	3.7
97.02878	4.6
98.21471	1.3
99.04450	2.2
103.05483	5.0
105.03401	1.1
105.04501	0.7
107.04978	3.3
109.02914	0.9
111.04456	1.7
112.96545	0.6
115.03935	0.8
115.08689	1.0
117.03395	9.7
119.04942	0.6
121.05647	1.3
121.06514	23.6
123.04443	12.3
127.03886	1.5
130.05023	6.6
130.08659	1.5
133.02873	2.4
135.03387	1.0
135.04427	17.4
137.06033	3.4
137.44627	0.6
139.03905	2.9
141.05475	0.7
144.04482	1.5
145.02869	12.4
145.06493	0.6
146.06062	4.9
147.04417	0.9
149.06021	0.7
150.03264	0.7
151.03903	3.2
151.05052	1.3
153.05481	34.1
157.06436	0.9
161.05989	1.4
162.05566	1.3
163.03918	100.0
164.04289	0.8
164.07103	4.3
165.05487	1.4
167.03439	2.3
169.04967	1.7
171.08047	0.8
172.03992	0.7
173.06010	0.7
175.63911	0.6
176.07091	3.8
177.05493	2.4
178.08662	18.7
179.19705	0.6
181.04991	3.4
183.06609	1.3
187.07579	1.2
189.05359	0.6
191.07043	1.0
193.05054	2.8
195.06578	0.8
199.07497	1.0
203.07040	1.0
204.06621	1.7
204.10233	4.3
205.08749	0.9
217.04964	1.5
219.06590	2.7
222.07623	2.2
222.09666	0.7
223.06036	0.7
227.07162	1.1
231.06447	1.3
233.08195	1.4
242.04517	0.7
245.08209	2.1
247.10648	4.3
249.07634	1.9
249.12439	6.4
261.07571	5.6
273.07507	2.9
274.07080	1.0
275.10361	2.3
276.08841	2.9
291.08643	5.2
293.11395	10.7
293.14966	4.5
302.06744	1.3
309.09702	1.5
319.09137	2.9
320.07755	2.3
337.10336	18.3
415.15164	0.7
445.19882	1.3
457.16318	1.4
471.18033	0.7
472.16309	2.6
489.18781	43.4
490.16925	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61145	0.5
53.03954	2.8
55.01879	1.0
56.05029	0.9
69.22136	5.0
71.04996	1.1
72.04523	25.0
72.08160	1.3
73.04057	1.1
77.03933	0.9
81.03419	0.7
84.04507	3.5
84.08152	10.6
85.02917	6.6
86.09737	0.7
88.04000	1.1
89.03902	1.7
91.05491	10.3
93.07051	13.5
95.04972	3.4
97.02869	0.9
98.97561	0.7
99.04447	0.7
102.05521	2.5
103.05480	10.2
105.04532	1.4
107.04926	0.6
115.08675	2.5
116.03500	0.8
116.09015	0.8
117.03394	1.1
118.06536	1.7
119.04974	1.2
121.06519	55.4
123.04427	1.9
130.05016	38.8
130.08618	1.8
133.02797	0.6
135.04448	3.2
137.06012	2.9
142.06511	0.7
144.04472	3.0
145.02856	1.7
146.06041	9.7
150.05481	1.2
153.05470	5.8
162.05545	2.9
163.03922	16.4
164.07069	13.2
172.03911	2.2
172.07588	1.2
176.07104	8.7
178.08650	44.9
186.81062	0.6
187.08765	0.6
188.07043	1.1
190.04968	1.0
198.05563	0.9
202.08696	2.4
204.06554	4.3
204.10217	8.9
210.11168	0.7
215.08167	2.2
222.07646	7.4
231.11247	1.8
233.09300	2.9
236.09430	0.7
243.07719	1.1
245.09221	0.8
247.10808	13.2
248.09233	1.3
249.12390	16.0
261.08585	1.1
273.08603	1.3
274.07095	3.7
275.10242	5.9
276.05759	1.1
276.08661	10.1
281.14941	1.5
286.10699	0.8
291.09818	3.9
293.11395	34.9
293.14883	5.8
302.06580	2.7
305.07785	1.1
307.12775	0.7
308.11371	0.7
319.09286	7.3
320.07697	6.8
325.14014	0.6
334.09232	0.9
337.10330	44.1
338.10809	0.8
351.11896	2.0
413.17075	1.2
415.14468	3.6
445.19778	5.0
457.16275	4.8
471.16995	1.2
472.16138	3.1
484.87207	0.6
489.18637	100.0
489.24033	5.2
490.18759	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2234
Annotation	11-Methoxykopsilongine N(4)-oxide
Peak:m/z	Relative Intensity
53.03947	1.1
56.05039	3.5
57.07081	0.9
59.65284	0.4
60.49273	0.4
67.05511	3.6
69.07074	0.8
70.12611	1.8
71.05022	0.5
72.08175	0.7
74.02430	0.5
78.94341	0.4
84.04522	0.4
84.08151	100.0
85.02922	1.3
85.06572	2.7
86.09704	4.3
87.04499	0.5
91.05495	3.9
93.07037	4.5
95.04984	1.1
97.02888	0.6
97.07674	0.5
98.97562	0.6
103.05479	4.3
114.10306	1.9
115.10643	0.9
118.06565	1.2
119.08635	0.4
120.26929	0.4
121.06519	26.3
123.04479	0.8
130.05037	0.6
130.08655	17.8
137.05952	0.8
144.04471	1.2
145.02831	0.5
146.06023	4.4
152.07068	0.5
153.05486	0.6
162.05544	1.1
163.03938	2.8
164.07173	0.7
169.06792	0.4
172.03931	0.5
176.07062	2.9
177.05515	1.0
178.08647	19.0
196.09698	3.5
204.06551	2.3
222.07632	14.1
240.08624	1.0
260.12900	0.6
262.14471	1.8
270.23108	0.4
280.15469	1.0
288.12234	0.4
306.13403	3.4
307.16675	1.3
351.15540	5.1
360.14423	11.7
444.20264	2.2
471.21786	0.9
489.22357	76.3
490.22794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3556
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.32872	0.8
55.05505	1.4
57.03438	1.9
57.07075	1.1
67.05502	3.5
69.03417	1.1
69.07072	1.3
69.51568	0.8
70.64714	2.8
75.74423	0.8
76.67051	1.0
79.05492	3.7
81.07051	4.0
83.08633	1.4
91.05486	2.5
93.07051	3.6
95.08620	3.4
97.10165	1.0
98.99898	0.8
105.07024	2.3
107.08598	2.9
109.10159	1.7
119.08624	2.2
121.10157	0.9
129.07050	0.9
131.08578	1.0
133.10086	1.4
135.11752	1.2
146.83197	0.9
147.11694	1.2
151.11128	1.0
163.03941	0.9
253.19254	0.9
313.27444	1.1
337.23502	17.6
360.61469	1.1
427.37738	1.2
489.35626	100.0
490.36499	1.7
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	Isoarjunolic acid
Peak:m/z	Relative Intensity
54.96539	1.8
55.05510	6.2
57.07065	3.3
59.04992	7.0
67.05499	9.8
67.42490	2.1
68.14786	2.0
69.07072	13.9
70.75191	4.5
79.05497	8.7
81.07055	27.7
83.04942	3.0
83.08629	5.1
91.05468	8.0
93.07044	26.4
95.08612	48.1
95.09151	1.9
97.06540	2.8
97.10157	3.4
105.07038	19.1
107.08600	38.0
109.06494	3.2
109.10156	32.8
109.88508	2.4
111.08083	4.1
111.11755	2.5
117.07059	3.2
119.08585	35.7
121.10150	42.9
123.08064	4.1
123.11720	16.0
130.07663	2.2
131.08549	15.9
133.10127	25.6
135.08047	9.2
135.11690	36.1
135.34355	2.1
137.09747	2.4
143.08546	9.3
145.10121	37.8
147.08055	2.3
147.11699	17.7
149.09564	2.2
149.13300	12.4
155.08542	3.6
157.10120	10.6
159.08202	2.4
159.11687	33.6
161.09563	3.0
161.13226	16.5
163.11218	2.3
163.14827	19.4
169.10109	2.8
170.10913	11.5
171.11681	19.2
173.13261	19.6
175.11215	3.4
175.14801	14.0
177.12712	5.8
177.16360	8.6
183.11655	5.6
185.13297	27.8
187.14809	13.9
189.12791	5.7
189.16388	18.5
191.14331	3.8
191.17949	100.0
197.13252	5.7
199.14867	24.1
201.12854	6.0
201.16307	13.7
203.14365	13.4
203.17960	23.8
205.15837	9.8
205.19514	4.0
207.17447	9.6
213.16290	2.7
215.14285	4.2
215.17950	3.5
217.15906	33.3
217.19434	14.5
219.17505	5.8
227.17961	4.1
235.16896	24.0
245.15561	2.5
259.20483	2.7
263.16388	3.9
281.17584	5.7
303.23373	2.3
389.32089	7.0
407.33145	18.6
409.34521	5.3
425.28796	3.6
425.34186	39.5
443.35300	12.0
453.33633	15.6
471.34799	45.8
489.35614	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
52.04715	2.3
55.05507	6.1
62.93379	1.9
67.05492	7.9
69.07063	7.3
70.81908	6.4
71.48617	2.1
79.05482	6.3
81.07066	15.0
82.99646	2.4
83.08605	5.0
84.72388	2.2
91.05467	10.8
93.07041	20.4
95.08621	27.1
99.08095	7.8
104.43949	2.3
105.07027	30.1
106.59050	2.3
107.08595	35.4
109.10164	16.9
117.07002	5.2
119.07789	4.7
119.08584	57.5
121.10133	27.1
123.11723	4.5
131.08565	32.1
133.10136	33.7
135.08098	2.6
135.11684	18.3
143.08524	5.8
145.10114	29.9
147.11685	67.0
149.09550	2.8
149.13251	8.0
157.10152	6.5
159.11703	27.9
161.13286	12.9
163.11185	10.0
163.14824	6.9
171.11690	3.8
173.13257	14.8
175.14813	14.0
177.12756	4.5
177.16415	18.4
185.13248	6.4
187.14832	48.6
189.16396	42.9
191.14304	3.3
191.17924	5.6
199.14856	4.8
201.16388	100.0
203.17929	7.9
205.15878	81.8
207.17465	16.6
213.16353	7.7
215.17978	6.5
217.15730	5.1
219.17487	17.1
223.16866	5.8
227.17883	5.2
233.19273	2.5
241.19577	3.2
353.28387	7.1
389.31851	4.7
403.26801	2.3
407.33081	43.9
425.34143	30.4
443.34863	4.7
453.33710	31.2
471.34497	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	489.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
55.05521	9.8
56.64983	3.6
57.07086	6.1
67.05506	19.2
69.07082	15.0
71.02625	7.9
79.05505	20.5
81.07056	51.4
83.04971	4.4
83.08616	10.3
91.05499	16.6
93.07054	43.3
95.08614	68.8
97.10187	6.1
99.08101	11.5
105.07036	76.3
107.07941	7.6
107.08599	64.6
109.10159	28.0
111.08080	5.9
117.07070	10.2
119.08591	84.1
121.06503	5.9
121.10159	50.1
123.08099	4.5
123.11723	11.9
131.08553	40.6
133.10149	63.4
135.08098	6.0
135.11726	23.4
143.08559	11.9
145.10146	50.7
147.11707	63.2
149.02376	7.9
149.09653	6.3
149.13261	46.6
151.11172	5.2
157.10155	11.9
159.11707	43.4
161.12039	5.2
161.13240	32.5
163.14844	14.6
171.11739	10.8
173.13257	38.1
175.11224	4.3
175.14861	38.9
177.12732	7.7
177.16455	26.0
179.14445	5.3
185.13277	13.2
187.14825	51.2
189.16393	100.0
191.14365	11.7
193.15944	7.0
197.13234	4.6
199.14763	10.7
201.16412	51.7
203.14297	11.6
203.17955	32.2
205.15857	44.5
205.19585	4.2
205.21463	4.4
207.17474	52.2
213.16357	9.3
215.14326	5.0
215.17984	11.6
219.17392	9.5
231.17247	5.0
239.18062	4.8
241.19421	4.9
367.30038	11.6
377.31967	6.1
407.32980	33.0
413.30627	8.4
423.32672	8.1
425.34094	16.6
435.32651	20.4
441.33755	15.0
443.34940	6.5
453.33682	61.2
471.35007	10.1
473.14697	5.6
489.22256	6.1
489.36148	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	489.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77896	2.2
53.03948	4.8
53.62564	2.2
54.46997	2.6
55.05504	11.3
57.07064	11.0
59.04979	4.7
61.79110	2.3
65.03952	2.9
67.05502	19.5
69.03421	4.7
69.06719	4.1
69.07070	46.1
70.72919	5.4
70.73289	5.0
71.08620	2.5
79.05505	12.3
81.03419	4.7
81.07065	86.2
83.05006	4.4
83.08636	15.9
85.02911	5.6
85.06548	7.0
91.05487	27.1
92.05823	7.1
93.07050	35.6
95.08064	3.4
95.08622	57.4
97.06539	4.0
97.10166	6.2
98.21416	2.6
99.08113	3.4
103.05471	6.2
105.07056	24.0
105.90488	2.5
107.08606	41.0
109.02881	2.8
109.06541	3.2
109.10154	32.2
111.08102	4.5
111.11723	11.4
112.44762	2.8
117.07018	4.4
119.04926	9.4
119.08585	30.1
120.05225	2.5
121.06510	32.8
121.10159	26.7
123.11715	100.0
125.13276	4.8
127.11163	3.6
131.08575	13.3
133.10132	16.0
135.08098	4.4
135.11696	18.1
137.05988	40.4
137.09607	5.2
137.13229	10.8
138.06320	11.1
139.11145	2.3
143.08533	4.3
145.10159	20.4
147.04434	5.3
147.11679	16.7
149.13243	17.3
151.07697	3.0
151.11140	2.7
153.12746	23.9
155.14310	9.2
159.11682	12.6
161.13283	10.8
163.14838	9.2
165.09137	4.4
167.07057	8.8
169.34404	3.0
171.11667	5.0
171.13834	9.7
173.13284	15.0
175.07599	3.8
175.14821	12.3
177.05634	3.6
177.16373	18.4
180.06589	4.4
181.04985	4.0
185.13326	4.0
187.14833	22.7
189.12770	2.4
189.16362	11.4
191.14307	10.9
191.17984	6.2
199.14876	4.3
201.16382	8.8
203.14299	8.3
203.17947	29.6
205.15892	53.5
205.19383	2.7
206.04465	3.9
207.04697	2.8
221.15382	6.3
223.17072	2.6
224.05537	10.4
225.05841	9.3
249.18642	3.8
254.06700	4.7
267.06985	3.4
268.07977	5.9
269.08478	3.6
291.26788	7.2
294.09695	2.7
296.07779	6.0
297.27899	6.9
308.10934	2.8
309.11481	3.6
309.27936	20.0
310.09296	13.1
311.09549	12.8
407.33063	11.2
416.13065	6.4
423.33072	3.9
425.33926	7.9
435.32446	3.7
443.35287	3.5
447.14789	11.5
453.33688	15.7
489.13132	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	489.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.7
55.05501	7.5
57.07071	3.1
67.05505	15.3
69.03415	3.5
69.07056	12.0
71.04990	3.7
71.58139	3.0
72.08143	2.9
79.05495	15.1
81.07058	26.2
83.04975	2.5
83.08598	6.8
84.08141	11.8
85.02898	9.8
86.09718	3.3
87.04472	11.4
91.05500	26.4
93.07056	35.7
95.04997	5.9
95.08608	34.8
97.06515	4.3
98.97593	3.5
99.08093	6.3
101.66302	2.8
103.05441	5.3
105.07036	38.6
107.08591	51.1
109.02889	4.1
109.10173	23.2
111.08111	2.9
112.11215	3.9
114.10318	2.8
117.07030	9.5
119.08581	63.4
121.06499	41.7
121.10149	35.6
122.06846	6.4
123.08047	3.7
123.11702	10.5
131.08577	32.5
133.10152	45.3
135.11720	25.5
137.05986	3.7
137.09604	4.5
143.08560	7.6
144.08102	2.9
144.09357	5.3
145.10115	39.3
146.06055	3.2
147.04445	4.1
147.11699	68.7
149.09686	3.1
149.13269	16.0
151.11172	3.3
157.10220	6.9
159.11699	29.2
161.09644	5.8
161.13255	15.8
163.03908	7.4
163.11195	8.4
163.14857	10.2
164.07092	6.9
165.05518	6.4
166.04955	3.6
171.11711	6.4
173.13260	13.4
175.14807	20.1
177.12703	5.6
177.16418	22.1
178.08705	4.3
179.98950	2.7
180.06589	14.1
181.06853	6.4
185.13281	13.8
187.14810	49.7
189.16373	29.1
191.17976	6.5
195.13853	6.8
197.13164	3.8
199.14928	3.4
201.16400	100.0
203.18027	12.0
205.15898	75.6
207.17474	21.2
213.16400	9.0
215.17967	8.1
219.17496	21.6
223.16902	6.5
245.19159	4.4
266.10364	5.5
283.20486	3.3
298.12784	8.1
308.11285	13.8
309.11533	26.0
353.28275	5.0
389.32071	4.8
399.69983	6.4
407.33179	42.2
415.15735	4.8
425.34137	34.6
435.32443	4.6
443.35345	4.3
453.33725	37.6
455.80563	3.0
460.96936	3.2
471.34335	13.0
489.13275	6.9
489.24829	51.6
489.34906	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	489.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10369	2.2
53.03944	2.5
55.05510	11.6
65.03954	2.5
65.11308	2.4
67.05202	2.3
67.05501	14.4
69.07064	18.1
69.32901	14.4
69.33322	7.1
71.04997	5.6
79.05499	13.4
81.07059	39.6
83.04975	7.4
83.08636	10.1
91.05490	27.9
93.07041	33.2
95.04988	4.2
95.08613	63.9
97.06528	3.4
99.08115	4.5
105.07040	51.5
107.08599	50.9
108.52438	2.9
109.06499	3.9
109.10162	32.6
111.08118	4.8
117.07046	9.4
119.08588	59.3
119.09357	4.8
121.06493	8.1
121.10149	40.7
123.08091	4.0
123.11723	16.7
125.09640	4.8
127.03941	4.0
129.07004	3.7
131.08580	31.2
133.10147	37.9
135.08037	3.2
135.11726	16.7
137.05989	9.4
137.09657	4.4
143.08600	6.8
144.09389	3.3
145.10135	46.6
147.08154	3.8
147.11696	37.6
149.13280	21.1
157.10146	10.5
159.11690	30.4
161.09604	3.8
161.13272	15.3
163.11237	3.3
163.14853	16.2
165.09142	16.4
166.04980	4.0
171.11745	6.0
172.09575	2.8
173.13271	36.4
175.11270	3.4
175.14835	36.1
177.05397	4.0
177.12735	4.5
177.16400	44.3
180.06557	18.7
181.04974	4.3
185.13274	8.9
187.14839	52.0
189.12779	4.6
189.16400	30.5
191.14320	25.5
191.17943	11.2
199.14812	13.8
201.16379	30.7
203.10524	2.8
203.14363	16.8
203.17967	64.7
205.15886	100.0
205.19447	5.9
207.17422	5.2
211.14792	2.6
213.16429	10.0
215.14490	3.1
215.17992	6.8
217.15935	6.4
217.19548	2.8
219.17389	5.2
221.15407	14.0
223.16916	6.3
227.18111	3.1
229.15865	5.2
229.19612	5.6
231.17519	5.8
235.16899	3.6
247.16933	3.8
249.18430	15.5
280.11996	4.3
281.22714	3.5
294.13312	39.6
377.32010	5.7
379.33624	5.1
389.31924	6.1
395.33279	8.3
407.32999	30.8
416.17172	4.4
425.34076	24.8
435.32562	9.9
441.74591	2.9
443.35498	4.8
453.33679	25.2
489.18610	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	489.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77896	2.2
53.03948	4.8
53.62564	2.2
54.46997	2.6
55.05504	11.3
57.07064	11.0
59.04979	4.7
61.79110	2.3
65.03952	2.9
67.05502	19.5
69.03421	4.7
69.06719	4.1
69.07070	46.1
70.72919	5.4
70.73289	5.0
71.08620	2.5
79.05505	12.3
81.03419	4.7
81.07065	86.2
83.05006	4.4
83.08636	15.9
85.02911	5.6
85.06548	7.0
91.05487	27.1
92.05823	7.1
93.07050	35.6
95.08064	3.4
95.08622	57.4
97.06539	4.0
97.10166	6.2
98.21416	2.6
99.08113	3.4
103.05471	6.2
105.07056	24.0
105.90488	2.5
107.08606	41.0
109.02881	2.8
109.06541	3.2
109.10154	32.2
111.08102	4.5
111.11723	11.4
112.44762	2.8
117.07018	4.4
119.04926	9.4
119.08585	30.1
120.05225	2.5
121.06510	32.8
121.10159	26.7
123.11715	100.0
125.13276	4.8
127.11163	3.6
131.08575	13.3
133.10132	16.0
135.08098	4.4
135.11696	18.1
137.05988	40.4
137.09607	5.2
137.13229	10.8
138.06320	11.1
139.11145	2.3
143.08533	4.3
145.10159	20.4
147.04434	5.3
147.11679	16.7
149.13243	17.3
151.07697	3.0
151.11140	2.7
153.12746	23.9
155.14310	9.2
159.11682	12.6
161.13283	10.8
163.14838	9.2
165.09137	4.4
167.07057	8.8
169.34404	3.0
171.11667	5.0
171.13834	9.7
173.13284	15.0
175.07599	3.8
175.14821	12.3
177.05634	3.6
177.16373	18.4
180.06589	4.4
181.04985	4.0
185.13326	4.0
187.14833	22.7
189.12770	2.4
189.16362	11.4
191.14307	10.9
191.17984	6.2
199.14876	4.3
201.16382	8.8
203.14299	8.3
203.17947	29.6
205.15892	53.5
205.19383	2.7
206.04465	3.9
207.04697	2.8
221.15382	6.3
223.17072	2.6
224.05537	10.4
225.05841	9.3
249.18642	3.8
254.06700	4.7
267.06985	3.4
268.07977	5.9
269.08478	3.6
291.26788	7.2
294.09695	2.7
296.07779	6.0
297.27899	6.9
308.10934	2.8
309.11481	3.6
309.27936	20.0
310.09296	13.1
311.09549	12.8
407.33063	11.2
416.13065	6.4
423.33072	3.9
425.33926	7.9
435.32446	3.7
443.35287	3.5
447.14789	11.5
453.33688	15.7
489.13132	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	489.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.05509	9.4
57.43121	3.6
59.28392	4.1
60.00853	3.6
64.25574	3.2
67.05515	18.5
67.64912	3.3
69.03413	6.4
69.07067	13.0
69.23602	32.7
71.04983	6.2
75.02872	3.2
79.05497	10.7
81.03374	5.8
81.07063	33.9
83.08599	5.2
87.04472	60.1
88.04806	9.0
91.05486	23.3
93.07053	32.6
95.08618	55.8
97.02892	4.1
98.20738	9.6
99.08090	14.0
103.05480	5.2
105.07034	57.4
107.08602	53.2
109.02895	3.7
109.10168	22.1
111.08092	4.0
112.31513	3.9
117.06998	9.1
119.04912	4.0
119.08587	75.7
121.06505	22.7
121.10139	27.3
122.06873	4.1
123.11726	7.1
129.47411	3.8
131.08577	33.8
133.10139	53.4
135.07997	4.7
135.11691	11.5
137.05969	16.7
137.09619	6.5
143.08543	6.5
145.02911	3.7
145.10112	46.0
147.11710	54.4
149.13275	50.8
155.10535	3.9
157.10127	11.8
159.11688	38.6
161.13336	26.9
163.14813	8.6
165.09108	9.3
167.07047	12.9
171.11668	6.3
173.13277	26.5
175.14873	23.0
177.12831	4.5
177.16454	22.2
180.06584	57.7
181.05327	5.4
181.06906	31.7
185.13274	10.1
187.14835	44.6
189.16399	100.0
199.14832	10.3
201.16400	60.4
203.17989	5.9
205.15869	19.2
207.17461	51.4
213.16411	15.6
215.17915	16.1
219.17424	14.3
222.07594	5.3
223.07910	7.4
252.08669	5.8
266.10260	25.4
267.10562	24.3
294.09750	6.8
295.09848	5.2
308.11298	58.3
309.11639	86.8
319.23868	4.2
335.12729	5.7
365.27844	4.6
367.30063	12.1
389.31964	5.1
395.33066	5.0
407.33145	27.2
413.30417	8.9
415.15753	17.0
425.33960	16.4
435.32666	9.2
441.33670	10.9
453.33783	38.3
471.34680	6.8
489.13150	35.1
489.19318	7.1
489.35083	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	489.3578
Annotation	bayogenin
Peak:m/z	Relative Intensity
53.53916	0.8
55.05515	3.9
57.07072	1.2
60.18699	0.7
67.05504	6.0
69.03396	0.7
69.07064	6.6
69.67352	4.3
71.58270	0.8
79.05470	4.5
81.07059	11.5
83.08620	3.0
85.06528	1.0
91.05488	3.9
93.07039	12.6
95.08614	16.8
97.06551	0.9
97.10171	0.8
98.21508	1.0
101.59100	0.8
105.07039	11.2
107.08610	17.0
109.06525	2.3
109.10157	10.2
111.08103	1.7
111.75800	0.8
116.46275	0.8
117.07042	2.2
119.08588	16.8
121.06506	0.9
121.10151	13.9
121.11016	0.7
123.08069	4.6
123.11720	5.9
131.08569	7.4
133.10150	13.2
135.08034	2.5
135.11684	7.4
137.09605	1.1
137.13243	1.1
142.29420	0.8
143.08543	2.4
145.10117	14.5
147.11705	12.5
149.09637	2.9
149.13264	6.5
151.11163	2.1
157.10109	3.8
158.10832	0.8
159.08080	1.6
159.11693	7.6
160.61450	0.8
161.09651	0.9
161.13248	5.3
163.11200	2.2
163.14836	7.6
165.12753	0.9
169.10182	0.9
171.11699	2.9
173.13266	4.6
175.11185	1.4
175.14819	6.8
177.12772	1.6
177.16373	7.4
185.13254	3.4
187.14827	13.7
189.12682	1.2
189.16420	7.5
191.17952	1.6
197.13271	1.6
199.14828	3.0
201.16414	19.5
203.14354	1.9
203.17944	6.5
205.15886	17.8
207.17441	1.3
211.15021	0.9
213.16420	3.1
215.14311	2.7
215.17952	2.4
219.17503	2.2
221.15430	0.8
223.16927	7.5
227.17941	1.9
229.19395	1.7
231.17500	1.4
233.15340	1.2
235.16977	1.1
239.18051	1.5
241.19551	1.8
243.21170	1.9
245.18997	1.1
247.16995	5.4
249.18497	1.5
253.19582	1.0
255.21046	4.8
257.22794	1.5
269.22647	1.5
275.19949	1.3
301.21649	2.2
303.23245	2.0
315.22867	1.1
347.25778	6.9
373.27368	5.1
399.32599	3.3
407.32773	4.1
425.34241	7.7
435.32675	3.1
438.66656	0.8
443.35254	100.0
444.35358	2.2
453.33728	4.0
471.34726	16.6
472.35056	0.9
489.35989	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	489.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.05509	9.4
57.43121	3.6
59.28392	4.1
60.00853	3.6
64.25574	3.2
67.05515	18.5
67.64912	3.3
69.03413	6.4
69.07067	13.0
69.23602	32.7
71.04983	6.2
75.02872	3.2
79.05497	10.7
81.03374	5.8
81.07063	33.9
83.08599	5.2
87.04472	60.1
88.04806	9.0
91.05486	23.3
93.07053	32.6
95.08618	55.8
97.02892	4.1
98.20738	9.6
99.08090	14.0
103.05480	5.2
105.07034	57.4
107.08602	53.2
109.02895	3.7
109.10168	22.1
111.08092	4.0
112.31513	3.9
117.06998	9.1
119.04912	4.0
119.08587	75.7
121.06505	22.7
121.10139	27.3
122.06873	4.1
123.11726	7.1
129.47411	3.8
131.08577	33.8
133.10139	53.4
135.07997	4.7
135.11691	11.5
137.05969	16.7
137.09619	6.5
143.08543	6.5
145.02911	3.7
145.10112	46.0
147.11710	54.4
149.13275	50.8
155.10535	3.9
157.10127	11.8
159.11688	38.6
161.13336	26.9
163.14813	8.6
165.09108	9.3
167.07047	12.9
171.11668	6.3
173.13277	26.5
175.14873	23.0
177.12831	4.5
177.16454	22.2
180.06584	57.7
181.05327	5.4
181.06906	31.7
185.13274	10.1
187.14835	44.6
189.16399	100.0
199.14832	10.3
201.16400	60.4
203.17989	5.9
205.15869	19.2
207.17461	51.4
213.16411	15.6
215.17915	16.1
219.17424	14.3
222.07594	5.3
223.07910	7.4
252.08669	5.8
266.10260	25.4
267.10562	24.3
294.09750	6.8
295.09848	5.2
308.11298	58.3
309.11639	86.8
319.23868	4.2
335.12729	5.7
365.27844	4.6
367.30063	12.1
389.31964	5.1
395.33066	5.0
407.33145	27.2
413.30417	8.9
415.15753	17.0
425.33960	16.4
435.32666	9.2
441.33670	10.9
453.33783	38.3
471.34680	6.8
489.13150	35.1
489.19318	7.1
489.35083	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	489.3583
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05499	14.1
58.61997	4.3
58.69554	4.6
67.05503	17.6
69.03425	7.3
69.07065	16.8
71.04993	5.8
71.58099	5.9
78.04180	4.0
79.05484	18.5
81.07043	48.4
83.04980	10.1
83.08609	15.0
91.05489	22.9
93.07050	42.1
95.05014	4.9
95.08610	71.9
97.02883	7.2
97.06511	5.9
105.07034	58.2
107.08597	79.0
109.06480	9.1
109.10150	38.2
111.08066	6.9
115.52662	4.6
117.06991	7.6
119.08575	77.3
121.06493	13.7
121.10135	54.6
123.11685	18.7
129.07030	5.4
131.08566	32.1
133.10153	54.4
135.08046	12.3
135.11671	35.8
137.05989	17.7
137.09625	5.8
143.08598	7.2
144.09311	5.3
145.02910	5.2
145.10123	61.2
147.04497	5.1
147.11664	39.7
149.09651	6.4
149.13280	16.0
157.10136	12.0
159.08104	4.7
159.11685	48.1
161.05914	5.8
161.09578	5.1
161.13245	27.5
163.11197	19.4
163.14853	21.4
165.09030	7.2
169.10100	5.8
171.11653	10.7
173.09579	8.1
173.13254	22.1
175.14847	38.3
177.05484	9.3
177.16382	33.7
183.11662	6.4
184.75861	4.7
185.13297	13.1
187.11194	6.4
187.14780	52.6
189.16388	52.0
191.17934	18.1
201.16393	100.0
203.17944	29.2
205.12126	5.5
205.15884	99.0
207.17487	32.5
207.19073	5.8
213.16438	7.8
215.14323	5.1
215.17972	12.6
217.15730	6.4
219.17426	16.4
223.17000	13.1
235.17004	5.2
241.19522	5.6
247.16957	20.9
271.78427	5.0
310.42410	4.9
345.41541	4.7
389.32132	8.0
397.73428	4.5
407.33057	57.2
425.34171	42.9
431.18408	4.9
435.32761	12.4
453.33908	22.2
471.34543	18.2
489.35413	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	489.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.05508	20.2
57.07072	4.8
60.94977	3.2
61.24664	3.2
63.02377	2.9
65.03938	4.9
67.05510	30.0
69.03429	5.5
69.07079	20.6
70.63351	6.7
70.63722	5.3
71.04987	3.5
79.05508	25.3
81.03419	3.4
81.07060	60.2
83.04986	8.2
83.08623	8.1
85.02889	3.2
85.06539	4.7
91.05485	34.8
93.07047	48.0
95.04951	6.6
95.08613	100.0
97.02870	6.3
97.06517	8.8
97.10175	8.2
99.08104	4.2
103.05472	5.5
105.06389	5.2
105.07040	75.2
107.04969	5.8
107.08605	83.2
109.06528	6.7
109.10170	59.6
111.08057	7.4
117.07011	20.8
119.04940	6.0
119.08589	89.7
121.06543	19.4
121.10161	62.6
123.08053	9.0
123.11693	23.1
125.09659	7.7
127.03915	4.8
129.07019	7.4
129.07936	2.9
131.04929	7.5
131.08577	45.2
131.76071	3.3
133.10149	60.2
135.08072	10.2
135.11707	25.2
137.05986	19.5
137.09621	7.6
137.13283	4.0
143.08557	13.4
144.09326	4.4
145.02837	6.5
145.10138	62.1
147.04344	4.5
147.08058	7.1
147.11711	50.5
149.09639	10.1
149.13269	26.8
151.07471	3.9
153.09129	7.4
157.10146	18.8
159.11693	51.4
161.09631	5.9
161.13264	34.3
163.03906	10.6
163.07512	4.1
163.11218	4.2
163.14850	23.5
165.09126	11.1
167.07037	15.8
167.10631	3.3
169.10173	3.7
170.10834	4.5
171.11681	14.5
173.13284	57.7
175.07460	3.1
175.11221	3.7
175.14835	47.4
177.05470	12.7
177.12740	8.1
177.16394	75.2
179.10651	3.9
181.05017	8.2
183.11681	3.3
185.13237	12.1
187.14841	60.4
189.05278	9.4
189.08994	3.4
189.12755	11.6
189.16386	48.5
191.06993	4.2
191.14314	66.2
191.17934	21.8
193.12265	4.5
193.15950	3.1
199.14803	11.5
201.16382	43.7
203.14363	37.6
203.17984	76.5
205.15900	98.7
205.19522	12.1
207.17503	6.6
213.16376	10.2
215.14331	3.3
215.17967	8.8
217.15858	6.2
217.19489	5.3
221.15385	34.0
229.15935	14.8
229.19556	4.4
231.17505	8.0
235.16946	7.9
241.19334	3.7
247.16905	7.3
249.18547	17.5
251.07338	3.2
269.18735	3.4
309.11526	5.6
311.23685	6.2
323.07373	11.5
327.14401	4.4
327.23309	3.2
337.56110	3.3
377.32144	5.3
379.33478	9.2
389.32010	8.8
395.33133	17.4
407.33130	74.6
423.32611	4.4
425.34134	43.5
435.32861	17.6
441.33878	5.9
443.35101	5.7
453.33902	34.1
471.34583	9.3
489.13181	59.3
489.35376	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	489.3578
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03952	3.5
53.98269	1.1
55.01864	1.6
55.05523	13.0
57.03440	3.8
59.05011	3.0
65.03949	3.0
67.05511	73.9
69.07079	9.9
71.05006	3.7
71.57949	2.3
78.77073	1.2
79.05499	26.5
81.07066	34.9
81.07521	2.6
83.05013	2.3
83.08618	6.1
85.06559	4.4
91.05489	19.3
93.07053	29.4
95.04993	1.7
95.08620	28.1
97.06551	2.8
97.10187	2.9
105.07048	18.2
107.08605	17.5
109.10174	44.7
109.10930	2.5
111.08099	2.1
117.07014	7.2
119.08598	21.6
121.10136	12.9
123.11802	2.8
125.09679	2.0
129.07034	4.1
131.08574	10.8
133.10152	12.4
135.11728	7.9
137.09680	2.3
139.11200	1.8
143.08614	4.3
145.10112	11.2
147.11707	10.7
149.13315	5.7
155.08566	1.7
155.10722	2.5
157.10150	5.9
159.11713	11.9
161.13295	6.5
163.14799	2.3
166.25787	1.3
169.10120	1.5
171.11736	4.3
173.11771	10.5
173.13330	7.6
175.14795	3.1
183.11766	2.1
185.13356	3.5
187.14882	4.6
197.13339	3.3
199.14877	2.9
211.14961	1.7
213.14751	2.1
239.18019	1.5
261.22229	4.2
263.19208	1.2
285.22284	2.3
291.37897	1.5
299.23541	2.8
351.10388	1.3
377.26895	2.5
379.30124	5.6
397.31006	8.9
415.32068	2.4
471.34561	8.5
489.35913	100.0
490.36124	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.358
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03950	2.8
55.05518	15.3
57.03432	4.7
57.07076	2.0
67.05508	44.9
69.07074	11.5
69.48965	9.1
71.04978	2.1
79.05497	23.7
81.06583	1.9
81.07064	30.5
83.04981	2.6
83.08621	7.1
83.54719	1.4
85.06563	2.4
85.20649	1.4
88.39611	1.4
91.05473	20.9
93.07049	30.2
95.04957	3.0
95.08613	24.5
97.06506	2.1
97.10162	3.8
101.52134	1.3
105.07028	19.8
107.08608	14.4
109.10152	24.7
111.08121	3.9
117.07030	9.0
119.08579	24.6
121.10139	14.7
123.11750	1.9
125.09637	2.0
129.07033	4.5
131.08575	16.0
133.10133	17.8
135.11679	9.5
137.09621	2.2
139.11186	3.0
143.08571	5.7
145.10141	12.7
147.11702	11.7
149.13280	3.4
155.08611	2.3
157.10144	5.0
159.11696	10.2
161.13251	5.5
167.08621	1.5
169.10127	2.2
171.11705	6.4
173.11778	4.2
173.13269	6.8
175.14896	3.1
183.11681	2.8
185.13284	6.1
187.14818	4.5
197.13293	3.3
199.14807	2.2
201.16382	2.3
213.16496	2.4
223.00325	1.6
241.19751	2.2
243.20981	1.6
261.22134	3.7
267.92059	1.9
273.22128	1.8
276.66238	1.5
285.22079	2.2
340.88446	1.6
358.23685	1.7
379.29935	5.6
396.08600	1.4
397.31003	10.8
407.56329	1.7
415.32108	3.1
471.34756	14.9
489.35806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.84789	3.1
55.01869	5.6
55.05507	9.9
61.40149	3.9
66.31776	3.7
67.05508	16.9
69.03417	5.6
69.07070	15.5
69.07384	3.4
71.05040	3.2
71.57324	6.1
74.39414	3.0
79.05489	18.7
81.03403	4.2
81.07066	40.2
83.04995	7.0
83.08614	10.5
84.08153	4.4
85.02921	7.6
85.06522	3.7
91.05480	25.2
93.07047	50.0
95.04947	5.2
95.08608	52.7
97.02919	5.3
97.06519	3.7
97.10149	3.5
98.97570	4.2
103.05453	7.3
104.60348	2.9
105.07033	52.3
105.77400	3.0
107.04988	3.9
107.07952	5.6
107.08611	54.3
109.06509	3.1
109.10158	35.6
111.08094	4.7
112.11258	3.9
117.07026	9.2
119.08585	90.5
121.06509	33.5
121.10149	47.3
121.10992	3.2
121.74944	3.7
123.08048	5.6
123.11722	15.3
129.07043	3.7
130.07788	5.2
131.08578	31.0
133.10118	50.7
135.04364	4.2
135.08031	6.4
135.11722	25.8
137.09659	4.6
137.13235	4.5
143.08598	9.5
145.10127	66.0
147.11719	37.3
149.09721	4.6
149.13255	15.9
151.03888	4.0
157.10112	10.5
158.10872	3.9
159.11707	47.9
161.13261	31.7
163.03935	6.9
163.11212	13.4
163.14836	13.7
165.05502	17.4
165.09180	3.4
171.11665	7.4
173.13280	31.0
175.14850	33.5
177.12778	4.3
177.16389	30.3
179.14233	8.5
185.13304	10.0
187.14828	44.5
189.16389	58.7
191.14366	16.5
191.17917	12.7
199.14848	6.6
201.16393	65.2
203.17931	17.8
205.15886	100.0
207.17505	20.6
213.16406	6.6
215.17964	9.0
219.13824	5.3
219.17455	20.5
227.18085	5.1
229.19502	6.0
233.18993	7.4
243.21065	4.7
245.18939	3.8
247.16965	11.7
265.18021	10.8
389.31970	4.5
395.33286	20.1
407.33112	64.9
409.34946	7.6
425.34152	56.7
435.32504	9.3
441.33563	5.0
443.35022	5.5
453.33621	56.0
471.34714	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.05519	22.3
57.03434	3.2
57.07065	4.3
65.03958	3.2
67.05172	4.6
67.05507	68.9
69.07066	42.8
69.91770	11.1
71.04994	5.4
73.25793	2.1
74.45992	2.3
79.05492	32.4
81.07059	100.0
83.04964	6.6
83.08620	10.9
85.06540	4.7
85.60269	2.2
88.51122	2.4
91.05475	14.4
93.07050	55.0
95.08607	94.8
97.06520	13.5
97.10191	12.6
99.08098	2.9
105.07027	28.1
107.08598	41.1
107.52635	2.1
109.06525	6.2
109.10157	46.5
109.93644	2.4
111.08089	5.0
111.11736	6.6
117.07012	3.5
119.08586	27.8
121.06541	2.6
121.09320	3.5
121.10149	56.3
123.08075	7.5
123.11718	23.9
129.06981	2.6
131.08568	15.9
133.10139	18.2
135.08078	6.4
135.11681	24.3
137.09618	2.8
137.13260	6.0
139.11177	31.9
143.08521	4.5
145.10149	18.1
147.11708	22.3
149.09627	3.3
149.13275	19.4
157.10168	2.9
157.12286	5.3
159.11702	8.8
161.09641	3.3
161.13266	18.2
163.11235	5.1
163.14804	8.3
165.12814	3.9
171.11781	3.3
173.13286	8.3
175.14835	9.5
177.12810	3.2
177.16444	6.8
179.14299	3.0
180.39551	2.4
185.13245	4.4
187.14848	10.7
189.16417	8.4
191.14381	2.3
201.16360	4.5
203.14291	3.1
203.18094	5.1
205.15872	15.8
205.19592	3.6
209.15436	3.6
211.14822	3.0
215.18060	2.9
217.15964	3.9
223.16853	3.0
243.21074	8.3
261.22177	24.1
279.23212	79.8
295.22644	2.7
297.24243	34.5
399.32523	15.8
407.33093	4.5
417.33679	38.1
425.34149	7.8
435.34857	34.0
443.35626	11.5
453.34564	28.7
471.35202	19.4
489.35168	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	490.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03944	2.9
53.58572	0.3
55.01856	0.4
69.90758	0.7
69.91171	0.7
73.65252	0.2
77.03902	0.6
79.05492	0.3
81.03396	0.5
81.04137	0.3
85.02896	1.9
91.05487	10.5
93.07045	12.6
95.04964	3.2
103.04786	0.6
103.05473	11.7
105.04517	1.5
106.06548	0.6
119.04916	0.5
120.04448	0.3
121.06509	53.7
121.70058	0.3
128.70239	0.3
131.03381	0.3
132.08083	0.5
134.06018	1.4
137.05995	0.7
144.04492	0.7
145.02827	0.5
146.06026	0.6
148.03960	0.7
152.07028	0.6
160.03929	0.9
160.07587	0.7
162.05522	3.4
163.03842	0.5
164.07158	0.4
165.04134	0.3
166.05014	0.5
176.07101	1.1
177.04076	0.5
177.05493	1.5
178.05054	0.9
178.08667	0.7
180.06570	4.0
185.03207	0.3
188.07028	1.2
189.07626	0.4
190.05016	0.3
191.05750	0.6
192.06592	1.7
194.08136	7.3
204.06566	1.2
206.08113	1.8
216.06451	0.7
218.08200	0.4
219.08940	0.3
220.06107	0.3
220.09662	0.9
222.07701	0.4
224.09213	1.2
232.06070	2.6
234.07654	3.4
236.09195	0.3
238.07150	0.7
238.10765	0.3
248.09224	2.4
250.07118	10.8
252.08739	2.4
253.09454	0.9
260.05505	0.6
262.10794	0.3
264.08682	16.0
266.10242	48.4
268.08179	1.0
278.06540	2.0
280.11856	0.9
282.09851	0.3
284.11276	0.7
292.08167	6.9
292.11267	0.5
293.14795	0.3
294.09787	0.9
296.07745	1.1
308.11270	6.7
310.09210	12.8
320.07483	0.6
324.97067	0.3
326.12357	7.8
338.08655	1.9
352.10269	26.8
370.11298	2.0
388.14017	0.4
396.65546	0.3
416.13275	0.6
428.42529	0.3
490.17096	100.0
491.17361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17397	0.9
53.03946	4.9
55.01866	3.9
57.04778	1.0
69.35993	8.6
71.04973	0.9
73.02924	7.4
77.03920	1.4
79.05415	1.1
84.08157	4.9
85.02903	3.6
91.05481	19.2
93.07047	22.1
95.04960	5.6
99.04487	1.3
103.05479	22.8
105.04507	3.9
110.28825	1.0
116.04981	1.1
118.06548	2.4
120.08111	1.1
121.06509	100.0
123.04472	1.1
128.10747	1.5
132.04506	1.6
144.04433	2.5
146.06013	7.5
162.05525	5.1
164.07047	8.0
165.05571	1.2
172.03944	1.3
174.05531	1.4
176.07028	3.0
178.05022	1.2
178.08643	18.1
190.04971	5.2
192.06633	4.1
202.05005	2.0
204.06651	2.3
208.06058	1.5
218.04536	9.7
220.06038	6.8
222.07729	2.2
224.13489	0.9
234.07658	5.4
236.05547	12.9
236.09198	1.6
238.07120	4.0
248.09105	2.2
250.07123	39.8
252.08682	58.0
260.05560	1.1
264.05045	3.2
266.10187	1.7
276.12180	1.8
277.10834	0.9
278.06570	14.6
278.10172	3.5
288.08606	1.4
292.08768	1.7
292.11682	7.4
292.73950	1.0
294.09735	13.2
294.13370	23.7
296.07593	13.4
299.11514	1.0
306.09750	1.4
310.09454	5.2
310.12637	1.7
320.11185	7.3
326.12296	4.2
326.15924	1.8
338.08667	49.0
338.12390	31.3
352.10165	9.6
352.13501	1.0
370.11121	1.5
400.19223	1.0
458.18442	2.4
490.17169	95.3
491.17075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09985	0.4
53.03947	2.2
55.01866	0.6
61.22733	0.5
63.85321	0.4
67.05518	0.4
69.07090	0.4
69.23288	4.3
77.03944	0.6
78.80567	0.4
81.07047	1.3
91.05479	8.0
93.07047	9.7
95.04967	1.9
95.08600	2.2
100.67352	0.4
103.05466	7.0
105.04543	0.7
105.07019	1.2
106.07349	0.4
107.08560	2.0
109.10149	0.8
119.04984	0.6
119.08594	1.7
121.06509	100.0
129.46240	0.4
131.08571	0.7
133.10139	1.5
135.11732	0.5
137.05994	1.3
145.10141	1.2
147.11623	0.5
149.13406	0.7
155.18503	0.5
157.10133	0.5
159.11656	0.7
166.05038	1.4
171.28471	0.4
173.13264	0.9
175.14919	0.9
177.16420	0.5
180.06519	2.5
187.14841	1.2
191.14302	0.9
192.06548	4.1
203.17947	0.9
203.19708	0.5
204.06595	0.5
204.18425	0.8
205.15897	1.9
206.04585	1.0
206.08157	6.5
206.16194	1.0
208.06134	0.6
220.06075	2.8
224.05574	4.8
236.05540	2.9
238.07135	5.7
250.07114	7.3
252.08742	1.4
254.06610	17.6
268.08160	19.7
280.08261	0.7
294.09705	1.2
296.07669	17.3
310.09210	24.4
338.08701	7.1
339.27713	0.4
356.11093	0.5
374.12289	1.9
407.33035	0.6
416.13422	22.2
417.13855	0.5
454.34290	0.7
457.28784	0.6
458.14285	0.7
459.12268	0.6
490.13855	0.8
491.15140	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
65.03934	0.5
67.05499	0.2
69.03419	0.2
69.07058	0.3
69.51773	0.5
69.52187	0.5
73.46655	0.1
78.66854	0.1
79.05523	0.4
80.05846	0.1
81.07056	0.7
82.19227	0.1
87.04431	0.1
91.05486	4.8
92.05006	0.4
92.05824	0.3
93.07061	1.0
95.08615	0.7
99.08085	0.3
105.07038	1.0
107.07350	0.5
107.08609	1.0
108.08140	0.3
109.06541	0.2
109.10162	0.4
117.07081	0.2
119.04942	2.7
119.08593	1.5
120.04498	0.9
120.08911	0.4
121.06499	0.7
121.10148	0.8
122.10497	0.3
123.11678	0.2
131.08536	1.0
132.08795	0.2
133.10118	0.6
135.11670	0.5
136.07587	0.2
137.05983	7.5
145.10129	0.7
146.06009	0.4
147.03163	0.4
147.11690	1.5
148.03920	1.3
148.12013	0.3
149.13222	0.2
150.05418	0.2
151.06346	1.1
152.07074	2.6
153.05498	0.3
157.10190	0.2
159.11682	0.5
163.11235	0.3
163.14796	0.2
164.07079	0.5
165.09087	0.4
166.05029	1.8
173.13229	0.3
174.05493	0.3
175.14819	0.5
177.16336	0.3
178.08694	0.4
178.16768	0.2
179.05737	0.4
180.06567	21.5
183.11588	0.2
187.14786	1.1
188.15193	0.4
189.16368	0.5
190.08476	0.2
190.16754	0.3
192.06590	0.3
193.07181	0.3
194.08171	0.2
196.09737	0.2
201.16376	2.0
202.16740	0.8
205.15909	1.5
206.08089	1.1
206.16228	0.6
207.08856	1.0
207.17343	0.2
208.05992	0.2
219.17400	0.4
223.08421	0.8
224.09177	1.7
234.07541	0.2
235.08498	0.2
236.09169	0.7
238.07109	12.7
250.10909	0.4
252.08673	100.0
253.08984	1.0
266.10165	1.2
268.08115	0.4
280.08170	4.1
284.20325	0.2
294.09720	73.0
295.10074	0.9
310.09143	0.7
374.12418	1.4
407.33029	0.6
408.33304	0.9
416.13431	10.9
425.34070	0.3
426.34494	0.4
430.15079	0.2
431.12695	0.2
448.15997	0.4
453.33612	0.4
454.34085	0.3
490.16602	0.6
490.28061	3.8
491.15173	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
52.17043	0.3
53.03942	0.9
59.72259	0.4
62.54213	0.4
65.24776	0.4
71.59274	0.5
79.05487	0.4
85.02905	0.4
91.05488	3.1
93.07044	3.1
95.04961	1.0
95.08569	0.3
103.05455	2.6
105.03397	0.6
121.06512	22.7
121.10141	0.6
132.04457	0.6
137.05994	1.6
147.06779	0.6
148.03922	0.5
149.09680	0.4
152.07065	1.1
160.04021	0.5
162.05457	0.4
164.07031	0.4
165.05423	0.6
165.09151	1.3
166.05046	0.7
166.09341	0.5
166.34048	0.4
177.07922	0.7
178.08650	1.5
180.06577	9.0
192.06514	3.1
204.06688	0.4
206.08133	27.3
209.06862	0.4
210.07773	0.5
220.06055	12.0
224.05545	2.5
224.09142	0.7
236.09151	0.7
238.07109	26.4
248.09190	1.1
250.07141	3.1
251.36497	0.4
252.08653	2.7
254.06613	10.3
266.10242	1.2
268.08173	74.4
269.08469	0.6
280.08109	1.9
282.09738	0.9
294.09753	1.7
294.13303	0.4
296.07693	5.1
310.09216	100.0
311.09607	0.6
374.12396	1.7
416.13428	17.1
448.15744	1.1
459.12646	1.4
490.17065	1.5
491.15115	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	490.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
59.16121	0.6
66.88589	0.5
70.06585	1.3
70.32801	2.0
72.08127	0.6
79.05479	0.8
84.08154	0.7
85.02914	1.4
91.05492	7.8
93.07049	3.7
95.04978	1.1
95.08606	0.6
103.05481	3.5
105.03433	0.7
106.06525	0.6
107.07349	0.7
109.02856	0.5
109.06497	0.7
112.85274	0.6
118.06506	0.6
119.04952	2.8
121.06512	26.6
129.84885	0.5
133.02902	1.8
135.08014	0.6
137.05986	8.5
138.06349	0.6
138.79747	0.5
144.52444	0.7
145.02852	0.8
146.06003	1.1
147.04391	0.8
148.03914	0.8
150.05493	0.5
151.03987	0.8
151.06306	1.5
152.07057	2.5
162.05408	0.5
164.07031	1.4
166.04938	2.2
174.05496	0.7
177.05487	1.8
178.04913	0.8
178.08653	2.0
180.06567	21.3
192.06561	3.2
194.08109	1.1
206.08144	30.2
220.06073	12.0
222.07591	0.7
223.08479	0.6
224.05591	2.9
224.09129	1.3
236.09090	0.7
238.07111	34.5
248.09250	1.1
250.07115	3.6
252.08682	61.1
254.06644	10.2
254.09145	1.2
254.61861	0.7
263.08289	0.7
266.10214	1.7
268.08176	77.1
280.08154	4.4
282.09460	0.7
294.09726	50.5
296.07611	4.4
308.15146	0.7
310.09216	100.0
311.09616	1.2
332.24609	0.6
340.12689	0.7
345.33087	0.6
370.11270	0.7
374.12250	2.6
416.13440	23.2
448.16089	1.0
490.17026	2.3
490.20615	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	490.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.9
56.96572	0.7
57.03450	0.9
58.64264	0.5
65.04010	0.4
69.98116	2.2
70.06610	0.7
71.01367	0.6
72.08155	2.7
73.08509	0.7
73.51502	0.5
74.30307	0.5
84.08149	3.5
85.02917	7.4
89.95140	0.4
91.05479	3.7
93.07057	4.4
95.05006	1.0
96.06116	0.4
103.05469	3.4
104.48280	0.4
107.07352	0.5
112.11259	0.8
119.04996	0.9
120.04495	0.6
121.06519	30.0
122.06846	0.6
128.11850	7.5
129.12236	1.7
131.03427	0.5
132.04507	0.7
134.06062	0.6
137.06017	1.7
146.05997	2.2
147.04485	1.3
148.03955	0.9
150.05542	0.8
151.06323	1.2
152.07101	0.9
153.05574	0.5
159.29045	0.5
160.04028	0.6
163.03960	1.0
164.07083	2.8
166.05029	1.5
176.07124	0.8
177.07918	0.9
178.08644	3.6
180.06566	15.1
192.06609	2.0
204.06563	0.5
206.08139	23.1
209.06804	0.5
210.07625	0.6
220.06062	9.9
222.07713	1.3
224.05508	2.3
238.07127	23.2
248.09161	1.8
250.07054	3.2
252.08720	0.7
254.06625	8.7
266.10071	0.6
268.08182	66.8
280.08136	1.6
282.09650	0.5
290.13687	0.7
292.08194	0.7
292.15442	1.6
296.07599	5.7
305.06940	0.8
309.10693	0.6
310.09207	100.0
311.09485	1.2
336.14301	1.2
338.08789	0.8
362.43903	0.5
374.12283	1.2
399.69229	0.8
416.07724	0.9
416.13406	16.4
490.21356	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	490.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03934	2.6
58.94586	0.5
61.02499	0.5
62.48412	0.5
65.03957	0.6
66.58896	0.5
71.41343	0.5
71.58845	0.7
77.03929	0.9
77.41810	0.6
79.05504	0.6
85.02922	4.1
87.04472	0.6
88.44909	0.6
88.45507	0.7
91.05485	14.2
93.06470	1.0
93.07050	14.1
95.04989	4.3
103.05477	11.4
105.04510	1.5
117.05538	1.0
118.06549	1.0
119.04951	2.2
120.04482	0.8
120.08158	0.6
121.06514	57.1
137.05994	5.7
146.06012	2.3
147.04436	0.7
148.03941	0.8
150.05522	1.3
151.03862	0.8
162.05501	3.8
164.05809	1.0
164.07062	6.8
166.05081	0.6
174.05507	2.1
176.03511	0.8
178.04994	0.8
180.06572	3.6
190.05019	3.5
191.05798	1.2
192.06578	3.5
194.08157	0.8
202.04984	2.3
204.06615	0.6
206.04631	0.6
218.04518	7.1
220.06079	5.8
222.07605	1.2
224.09135	0.8
234.07651	3.8
236.05576	9.7
236.09189	0.8
238.07135	3.7
246.04021	1.0
250.07126	33.0
252.08693	64.3
260.05579	2.0
264.05084	2.9
266.10147	2.1
278.06610	13.4
280.08124	0.8
287.05261	0.6
294.09760	22.0
294.13010	1.3
296.07706	11.4
310.09235	4.3
326.12473	3.8
333.95755	0.7
335.31659	0.6
336.14108	0.7
338.08725	45.3
352.10284	6.4
370.11591	1.4
392.13037	0.6
402.18573	0.6
416.13461	2.1
490.17014	100.0
491.16946	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.6
51.02370	0.6
53.03946	3.2
54.85792	0.5
55.01872	0.5
55.05512	0.6
56.96563	1.1
67.05504	0.8
69.07068	0.6
71.57453	0.9
72.08147	0.7
77.03928	1.2
79.05495	17.5
81.07059	1.6
83.04973	0.5
84.08141	0.6
85.02907	2.6
91.05486	9.1
93.07052	12.6
95.04966	4.4
95.08608	1.4
97.02869	0.7
103.05473	58.3
105.04520	1.4
105.07032	3.3
106.90981	0.5
107.04963	22.9
107.08589	1.5
109.10164	1.0
112.11253	1.2
116.98600	0.5
118.06556	0.8
119.08598	1.5
121.06512	46.9
121.10136	0.9
122.81699	0.4
123.11723	0.5
127.45504	0.4
131.04936	17.7
133.10161	1.1
134.10463	0.8
135.08008	0.7
137.05994	1.1
144.04451	3.2
145.10144	1.0
146.06042	4.2
147.11719	0.6
149.05995	1.9
149.13213	0.5
151.11212	0.8
152.07076	0.6
159.11746	1.2
162.05534	2.5
164.07082	1.5
172.03998	2.1
173.13348	0.5
176.07088	8.7
178.08643	15.9
180.06509	2.3
190.05028	1.2
203.60941	0.5
204.06554	5.0
205.15923	0.5
214.25652	0.4
222.07645	3.3
237.79199	0.5
257.15344	1.2
265.17719	0.5
268.08234	1.0
275.16458	1.7
293.17517	0.9
296.07791	0.9
310.08932	4.8
311.20453	0.4
320.09238	1.1
324.12338	10.0
326.13907	7.9
338.10345	2.4
342.13586	1.6
352.11789	9.3
370.12863	12.0
399.70062	0.6
416.13571	1.3
454.33960	0.5
480.64120	0.6
490.18640	100.0
491.19009	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.1
53.03954	5.3
55.01871	3.7
57.03407	1.0
65.61613	0.8
71.04995	1.9
71.18909	1.7
71.19246	1.0
73.02924	9.7
77.03923	2.4
84.08163	6.6
85.02914	7.4
91.05486	21.0
93.07056	23.4
94.28468	0.9
94.57211	0.9
95.04988	5.5
99.04424	1.0
103.05479	21.7
105.04525	2.9
117.05701	0.9
118.06534	2.7
119.04965	2.8
120.04458	1.4
121.06518	100.0
122.06828	1.2
123.04446	1.6
128.10730	1.1
130.33987	0.8
137.06052	1.4
144.04428	2.2
146.06023	10.1
147.04439	1.6
148.03935	1.0
150.05518	2.0
162.05560	4.9
164.07068	17.1
165.01962	1.0
171.72586	0.8
172.04027	1.1
174.05566	3.1
176.07050	4.2
177.11119	1.0
178.05096	1.3
178.08667	20.8
180.06616	1.4
181.47353	1.1
190.05022	3.8
191.05785	1.4
192.06584	3.9
201.36124	0.8
202.05045	2.1
204.06598	1.9
218.04462	9.3
220.06078	6.8
222.07631	3.0
234.07724	5.4
236.05560	10.1
236.09201	1.8
238.07095	2.9
246.04102	1.2
248.09323	0.9
250.07123	36.4
252.08690	55.0
260.09100	1.0
264.05063	2.4
266.10284	2.0
276.12363	1.9
278.06616	12.2
278.10178	4.5
280.08386	0.9
292.11749	10.1
294.06512	1.4
294.09744	19.2
294.13376	33.7
296.07706	13.9
306.09753	2.3
310.09232	4.2
310.12714	2.0
320.11337	8.3
326.12323	2.9
326.15903	2.0
338.08658	43.4
338.12408	45.2
352.10263	4.7
352.14023	1.6
370.11182	1.4
416.13330	2.8
430.12927	0.9
458.18024	3.1
490.16882	58.9
490.20975	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14915	0.7
53.03949	2.5
55.01876	1.8
55.05535	1.1
65.03943	1.4
68.48315	0.8
69.07063	2.3
70.06569	0.7
73.02931	2.6
73.06559	1.5
74.39498	0.7
81.07077	0.9
85.02910	1.3
85.58191	0.7
89.64881	0.7
91.05487	26.0
91.26431	0.7
91.26994	0.7
92.05038	0.7
93.07050	10.2
93.07567	1.0
95.04986	2.5
98.21566	1.2
103.05481	7.4
105.04483	0.8
106.06568	1.4
109.06530	0.8
118.06565	0.9
119.04948	9.0
119.05638	0.7
121.06510	38.6
123.04457	0.9
134.06059	2.4
135.04478	0.9
137.05978	29.9
138.06386	1.3
144.04498	2.6
145.02919	2.0
146.05981	4.6
152.07077	1.0
160.04033	2.3
162.05505	7.3
162.88730	0.7
163.03998	2.6
164.04355	1.3
165.05597	0.9
172.04013	1.4
176.07152	3.2
177.05606	2.3
178.05008	3.7
178.08632	10.0
180.06577	3.7
188.10832	1.0
192.06667	3.4
194.08148	19.2
194.09853	1.2
204.06688	1.6
206.04585	0.8
212.09293	3.2
220.09869	1.2
222.07744	1.0
224.09158	5.4
238.07225	1.0
251.06293	0.8
252.08755	1.6
266.10397	4.2
266.13675	1.0
276.12344	4.7
278.13870	6.8
280.12128	0.9
288.12442	1.1
290.13889	1.3
292.11719	4.1
294.09964	1.9
294.13477	2.0
304.11865	1.9
306.13373	9.4
308.14893	21.0
310.09265	1.2
310.12967	0.9
320.11646	1.9
322.12909	9.8
322.16290	1.2
326.16077	4.3
334.13138	1.2
336.14389	0.9
338.12451	1.4
352.13876	15.9
352.17688	1.0
354.06589	1.5
370.15256	1.8
413.13922	3.6
416.13321	1.1
422.14651	1.3
458.18619	1.1
490.21036	100.0
490.67435	2.4
491.21457	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50185	0.7
54.82779	0.6
55.01871	1.4
55.05510	1.4
65.03928	1.9
67.05491	1.7
69.03433	0.8
69.07070	5.1
70.06583	0.9
71.58791	0.9
71.59169	0.9
73.02920	2.2
73.06551	2.3
79.05512	3.6
81.03416	2.1
81.07063	3.6
82.02923	1.6
83.04978	0.7
83.89567	0.7
84.08134	1.4
85.02916	0.9
86.09721	1.0
91.05487	41.6
93.03419	1.2
93.07043	1.8
95.04961	1.2
95.08607	2.9
97.02895	2.3
98.97602	2.1
100.28094	0.8
100.35741	0.8
105.03413	2.3
105.07024	2.2
107.04943	2.2
107.08590	2.7
109.06510	2.8
109.10158	2.0
119.04105	1.0
119.04951	20.5
119.08600	2.1
120.04474	2.8
121.02907	4.0
121.10164	1.2
123.04440	1.5
123.11659	0.9
131.08565	1.1
133.10172	1.7
135.04420	2.7
137.05986	100.0
138.06418	1.1
138.09135	5.3
145.10098	1.2
146.64703	0.6
147.11636	0.7
148.03926	9.1
149.13377	0.8
151.03920	3.0
151.06287	1.6
152.07082	5.1
159.11716	0.8
160.03928	0.8
161.13242	1.4
166.05009	4.4
170.11826	1.1
177.16408	0.8
180.06566	22.6
184.09677	4.5
189.16365	1.2
190.12248	1.6
196.32024	0.8
216.10226	3.5
216.12338	2.4
219.01819	2.0
220.52284	0.8
228.08730	2.2
230.50142	0.8
234.11269	2.8
237.02861	2.3
261.02753	1.0
262.10706	6.2
274.52713	0.8
276.12311	0.9
279.03922	3.0
280.11807	46.3
283.16406	0.8
294.13364	70.4
304.11911	1.1
322.12878	44.5
336.14511	1.1
354.15533	2.0
416.17081	11.9
455.31656	0.8
458.18216	4.2
469.24564	6.2
469.74817	2.7
489.75888	1.7
490.26077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58239	0.6
55.01882	0.9
55.05508	0.9
65.03936	3.4
67.05499	2.4
69.03429	1.4
69.07069	4.8
73.02914	2.2
73.06530	1.6
79.05501	3.4
81.03419	2.3
81.07058	4.0
82.02959	1.6
84.08150	1.7
86.09714	1.6
91.05487	36.3
93.07030	1.9
95.04961	1.1
95.08587	3.3
96.08961	0.7
97.02901	2.2
97.06486	1.2
98.97588	0.9
105.03400	2.4
105.07035	1.7
107.04961	2.7
107.08608	2.3
109.06527	2.2
109.10159	1.6
119.04948	20.4
119.08577	1.7
120.04464	3.0
120.05244	0.7
121.02877	3.3
121.06490	2.0
121.10143	2.1
123.04418	1.0
133.10156	1.3
135.04439	3.5
135.11766	0.9
137.05986	100.0
138.05460	1.1
138.09103	6.2
145.10141	1.5
147.11609	0.7
148.03926	9.5
151.03928	2.9
151.06322	1.3
152.07092	2.5
156.10284	1.1
161.13252	0.9
166.04991	4.3
167.03380	0.7
178.05005	0.7
180.06566	22.6
184.09758	3.9
187.11119	0.7
189.16371	1.7
203.17992	0.8
207.17444	1.3
216.10216	3.5
216.12357	1.8
219.01915	0.8
228.08702	2.0
234.11313	4.1
237.02908	1.2
252.08810	1.1
261.02835	0.8
262.10757	6.7
263.08063	0.6
279.03757	1.4
280.11804	49.2
294.13358	74.0
295.13904	1.1
304.11853	1.5
322.12872	48.1
336.14371	1.2
354.15469	1.6
416.17029	11.1
440.95486	0.7
458.18219	4.4
469.24719	4.1
469.74823	1.9
472.31293	0.9
489.76031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01853	0.8
57.03428	0.8
58.06587	0.6
59.07374	0.4
61.02914	0.7
65.03932	0.6
67.05506	6.5
67.61275	0.3
69.03440	3.7
69.23401	2.8
69.23818	0.9
71.04985	0.7
73.02922	10.4
77.03905	0.4
79.05502	4.8
81.03432	2.2
81.07083	0.3
85.02437	0.4
85.02911	7.3
86.09689	1.0
87.04476	11.7
91.05470	0.8
95.04363	0.7
95.04975	11.8
97.02893	3.4
99.04449	1.2
105.03389	2.5
105.04495	0.7
107.04951	1.4
109.02861	1.3
109.06508	1.5
121.06528	0.5
123.04439	18.8
127.03915	1.7
133.02849	1.4
135.04443	0.4
137.05995	3.7
139.03886	1.0
139.07529	0.4
145.04935	0.9
147.04347	0.5
151.03914	33.7
163.07538	0.8
165.05484	100.0
166.05870	0.6
167.07050	27.0
169.05005	2.0
181.04935	0.3
183.06544	28.4
187.06094	0.5
193.05014	0.4
195.06496	0.8
207.06575	0.6
219.06564	0.8
237.07587	6.1
249.09665	1.1
251.09131	3.1
269.10245	7.2
296.14886	0.6
328.17563	7.3
339.77640	0.4
402.10919	0.4
431.15707	0.6
490.22867	77.0
491.23126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94128	4.9
55.05502	13.3
67.05515	26.5
69.07056	22.7
69.78906	27.4
71.04981	22.5
75.27586	4.7
79.05481	18.6
81.07053	57.4
91.05469	18.6
93.07029	32.4
95.08053	7.9
95.08608	100.0
97.06533	8.9
97.10217	7.3
98.20814	6.7
105.07027	39.4
107.08607	53.0
109.10151	40.1
115.07562	27.2
115.43880	5.2
117.06991	5.9
119.08583	57.2
121.06470	6.3
121.10149	70.0
122.10479	6.6
123.08088	8.5
123.11739	13.8
131.08545	17.4
131.33337	4.8
133.10112	38.8
135.11684	30.3
143.08513	14.5
144.37155	4.7
145.10158	28.0
146.10510	4.8
147.11702	24.7
149.13264	12.1
157.10114	17.6
159.11655	23.9
161.13263	26.2
163.14803	21.0
167.10649	13.2
169.10127	7.7
171.11662	16.9
173.13237	16.6
175.14809	22.0
177.12721	6.5
177.16382	20.8
183.11777	6.7
185.13217	8.6
187.14824	25.0
189.16405	24.1
191.14314	7.1
191.17924	11.2
197.13219	11.2
199.14839	7.2
201.16351	12.3
203.17986	7.0
211.14699	5.6
213.16409	12.0
215.17938	7.8
217.19447	7.5
217.39328	5.3
223.14825	8.2
227.18050	10.1
235.16835	9.8
252.33441	4.8
254.20430	5.4
321.25629	6.1
323.27347	30.1
340.27496	6.6
341.28400	42.1
393.31378	6.1
407.33115	7.0
419.33038	15.4
426.34528	6.6
437.34256	50.0
454.34009	11.4
455.35397	93.9
472.34900	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	490.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38975	7.4
55.05506	20.2
57.07071	8.6
59.04998	7.4
67.05498	22.9
69.07079	35.3
69.56914	49.0
71.04996	20.9
79.05497	23.8
81.07074	54.8
83.08620	17.0
91.05476	26.7
93.07037	55.0
94.07378	7.4
95.04933	8.6
95.08607	100.0
97.06499	10.8
97.10171	9.8
99.08105	7.5
104.65940	6.5
105.07041	61.0
105.80283	6.3
106.07348	7.3
107.08598	83.1
108.08895	8.1
109.10155	58.8
110.10490	8.1
111.08117	8.8
115.07564	19.8
119.08597	93.6
120.08929	13.2
121.10153	96.5
122.10477	10.0
123.11714	24.3
125.09678	6.7
131.08572	38.1
133.07428	7.4
133.10133	62.8
135.11681	57.9
137.13266	8.9
143.08569	19.0
145.10114	50.1
146.10469	8.5
147.11684	35.7
148.12047	9.4
149.09560	7.8
149.13222	22.2
157.10126	30.6
158.10632	8.6
159.11688	43.0
160.12051	13.7
161.09702	11.8
161.13203	39.7
163.11137	9.5
163.14861	40.6
164.15152	8.9
167.10701	10.6
171.11676	22.1
172.12015	11.1
173.13258	28.1
175.14865	34.8
177.16431	32.8
178.16750	8.1
183.11732	16.1
185.13226	20.2
187.14822	31.8
189.16377	37.2
190.16684	8.6
191.17972	35.0
192.18289	33.1
199.14790	30.5
201.16487	34.4
203.14410	11.2
203.17969	22.4
204.18329	11.0
205.15814	11.0
207.17406	9.4
213.16315	16.2
215.17924	21.2
217.15845	11.6
217.19518	12.7
219.17438	8.2
229.19514	14.0
231.17535	8.3
233.18697	8.6
235.17010	15.8
241.19609	7.3
322.26413	9.4
323.27359	32.4
339.26810	13.7
341.28403	39.6
408.33038	14.4
409.31168	14.9
419.33063	25.7
425.33853	15.5
426.34467	28.5
427.32016	21.0
437.34549	67.1
444.35132	13.2
454.33676	20.2
455.35666	84.2
472.35312	38.4
490.36224	24.4
519.48425	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	490.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30585	3.6
54.99136	3.9
55.05507	9.7
57.03429	3.8
60.13671	4.1
67.05493	17.6
69.07069	11.5
71.57645	6.8
79.05497	15.2
81.07067	28.8
81.51744	4.6
83.08621	8.4
86.09764	4.4
89.06792	4.2
91.05492	13.4
93.07057	27.3
94.07389	7.0
95.08623	42.6
96.08946	4.6
97.10168	4.2
98.98462	18.5
105.07035	21.5
107.08599	39.0
109.10169	25.6
111.08019	4.2
119.08584	34.6
121.10152	24.0
122.10476	5.4
123.08099	4.5
123.11727	10.6
131.08513	9.7
133.10149	32.2
135.11697	15.7
145.10127	10.3
147.11700	27.5
149.13272	12.3
155.01048	7.0
159.11691	16.3
161.13290	10.5
163.11230	8.3
163.14830	14.4
175.14816	20.4
177.16431	30.3
187.14810	8.4
189.16379	54.2
191.18024	8.9
201.16414	15.0
203.17957	66.4
205.15913	41.0
207.17470	30.3
229.19478	5.1
249.18506	8.2
262.22568	7.3
304.28043	4.6
336.26193	26.0
391.33490	6.7
409.34705	100.0
427.35684	11.9
437.34094	19.5
455.34979	9.9
490.32382	4.8
491.21768	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	490.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65736	1.9
53.75061	1.7
54.51055	1.9
55.05514	3.4
67.05511	2.9
69.07070	7.1
71.33514	3.8
79.05505	3.2
81.07065	4.8
85.43990	2.1
93.07044	5.9
95.08625	12.7
96.51257	2.2
97.10152	2.5
103.94804	2.5
104.98103	2.1
105.07053	4.9
107.08595	11.5
109.10172	7.8
119.08616	5.6
121.10171	9.3
123.11714	3.6
133.10158	5.7
135.11691	6.8
139.11166	2.0
145.10114	5.2
147.11678	6.3
159.11699	4.5
161.13274	2.8
163.14827	9.6
175.14944	3.4
181.15919	12.8
187.14825	6.9
201.16425	14.3
203.17949	13.4
219.17467	17.5
227.17757	3.6
237.18446	13.3
252.12462	2.2
267.21143	2.4
283.24091	2.2
370.85345	2.3
391.33545	9.0
397.90869	2.1
409.34662	86.3
427.35721	29.7
445.30624	3.0
445.36868	70.3
490.42603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41204	2.7
54.81997	3.0
56.96545	3.5
67.05501	3.5
69.80958	14.8
77.92709	2.5
81.07027	3.9
83.04967	2.6
85.02934	2.8
91.05489	6.8
93.07031	8.8
94.12732	2.8
95.08615	5.2
96.25504	2.5
104.50974	2.9
105.06996	3.0
107.08590	3.1
121.06509	23.7
149.06041	4.9
161.07506	2.7
189.90930	2.8
234.96812	2.8
302.93567	3.2
402.15704	2.8
491.13223	100.0
491.25229	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	491.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.2
67.05498	3.5
69.07064	1.5
69.32487	10.5
81.07042	2.6
95.08606	3.0
98.20715	2.2
100.47990	1.1
107.04958	1.6
107.08566	1.8
109.10175	5.4
119.08568	3.3
121.06480	2.0
122.07291	2.0
123.11713	4.0
133.10136	1.2
137.06055	1.4
137.09618	11.2
159.35582	1.1
165.09119	100.0
187.13286	2.1
205.12216	4.0
214.04349	1.2
302.57910	1.2
339.25165	2.0
364.36270	1.1
367.04190	1.1
407.72327	1.4
427.33240	1.1
484.01675	1.4
491.05981	2.1
491.13181	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.0
56.96547	6.3
67.05502	11.1
68.24492	4.2
69.07070	9.2
70.06600	5.4
71.56339	7.5
72.08151	6.4
81.03415	7.5
81.07056	14.4
82.17052	4.9
83.04993	5.3
84.08141	6.9
85.02876	7.1
86.54670	4.3
91.05479	13.2
93.07047	13.9
95.04938	5.6
95.08610	10.6
97.02893	7.4
103.05441	8.1
105.07034	10.0
107.04951	6.8
107.08577	6.0
112.11231	12.5
121.06527	53.6
121.10146	6.0
131.08530	5.4
133.10159	6.8
163.03955	12.9
163.11226	5.5
164.07085	10.3
165.09135	11.5
165.12721	6.3
179.54094	4.9
184.07294	7.5
191.10634	4.7
248.12988	7.1
265.08716	4.7
277.29822	5.2
315.91055	5.3
361.21860	5.2
459.10440	5.8
473.13562	7.2
491.12881	100.0
491.19333	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1529
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
51.50823	0.3
67.05500	0.4
69.07077	0.7
69.22180	1.2
69.22599	1.7
81.07055	1.2
83.08643	0.3
91.05484	0.9
93.07045	0.9
95.08606	1.5
107.08587	0.4
109.06564	0.3
109.10162	1.0
119.04942	0.5
121.06525	0.5
123.11725	0.6
124.11278	0.3
133.10156	0.3
137.06006	1.5
137.13257	0.4
143.06305	0.4
149.13284	0.4
151.49652	0.3
159.04189	0.6
323.07413	0.6
331.07819	0.7
337.09219	0.5
355.10236	0.6
431.13489	0.3
459.12659	17.7
491.15274	100.0
492.15814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1767
Annotation	Erythroxyloside B
Peak:m/z	Relative Intensity
51.89884	0.6
53.03926	1.9
55.01861	1.5
55.70807	0.8
57.03414	2.1
61.02902	2.4
63.42223	0.7
65.03926	0.7
65.33098	0.8
67.05479	2.6
68.99773	2.7
69.03421	5.5
70.06588	1.0
71.05004	4.2
71.58603	1.0
72.08131	1.3
73.02930	4.4
74.06010	0.7
75.63746	0.7
78.29097	0.6
79.05473	3.8
79.66856	0.7
81.03397	3.0
81.07029	0.9
83.04956	2.2
85.02914	21.5
85.06514	2.2
86.03239	0.7
87.04483	5.4
88.04796	0.7
89.05933	0.7
91.03915	0.9
91.05460	2.8
93.03352	1.0
95.04978	7.1
96.05307	1.4
97.02892	6.4
98.97571	2.0
99.04446	1.9
103.05502	1.0
105.03381	1.7
107.04921	2.4
109.02857	1.7
109.06487	2.7
111.04460	3.9
117.03359	1.5
119.04889	0.9
121.02833	0.8
121.06509	2.3
123.04445	14.4
124.04765	1.6
125.06003	21.7
127.03903	4.2
129.05482	0.9
131.04895	1.2
133.02853	2.4
133.06471	0.7
135.04472	4.5
137.02354	2.2
137.05989	23.7
138.06361	1.1
139.03934	6.6
139.07579	1.1
145.02829	1.4
145.04990	5.2
145.06102	0.9
147.04391	1.9
149.06000	1.8
151.03925	21.6
151.05103	1.4
152.04533	6.0
153.05481	47.5
155.07042	0.8
163.03911	6.6
163.07579	1.3
164.04243	1.1
165.05490	75.5
166.05826	16.7
167.07060	39.3
167.08199	0.7
168.07391	4.2
169.04944	0.7
177.05536	1.3
180.98698	0.7
183.06544	100.0
184.06924	5.4
188.20006	0.8
207.06511	1.4
219.06482	0.8
237.02831	0.9
237.07582	0.8
238.08128	1.5
252.09538	0.8
269.10251	1.4
270.10654	2.8
310.04773	0.7
311.11346	1.2
323.05679	0.9
325.07620	0.8
326.21545	0.7
329.18002	1.9
333.63611	0.6
341.06586	0.9
345.11923	0.7
353.06674	1.6
371.07648	1.4
395.07672	1.2
491.23355	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	491.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
54.62244	1.7
55.05515	14.8
57.03442	10.0
57.07057	5.6
67.05180	3.5
67.05512	51.2
69.06770	1.8
69.07072	18.7
69.32675	14.0
70.06589	2.7
71.08625	2.3
79.05492	16.9
81.07066	52.8
83.08637	11.8
91.05494	12.8
93.07046	17.3
95.08616	45.2
97.06519	4.2
97.10149	5.5
98.98473	72.0
104.86366	1.7
105.07037	9.2
107.08596	12.3
109.06519	1.7
109.10157	18.3
111.08076	2.1
119.08577	7.0
121.06532	8.4
121.10149	11.9
122.06815	2.8
123.11709	5.7
124.93781	1.9
126.79425	2.2
133.10176	8.6
135.11699	5.8
136.93094	2.5
136.99998	4.8
137.13249	3.9
138.16429	1.6
139.12317	2.4
147.11697	4.7
149.13269	4.1
151.14757	3.0
154.94141	3.6
155.01059	61.0
156.96397	2.1
161.13246	5.6
163.14833	3.7
175.14760	2.4
201.08292	1.7
211.03726	4.1
212.16914	1.7
212.24132	2.0
215.12839	1.7
229.04645	4.6
245.22662	7.3
263.23788	11.2
295.17090	1.9
337.27386	100.0
351.15604	2.0
358.80710	1.7
381.56378	1.9
407.49603	2.0
459.18161	1.9
473.26547	20.5
491.21857	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89044	3.5
53.03947	4.8
55.01857	5.4
55.05515	24.6
57.03427	26.5
57.07084	7.5
61.02931	11.1
67.05506	29.5
68.43088	3.6
69.03442	44.3
69.07071	20.8
70.75106	11.7
71.01342	6.7
71.04977	3.5
73.02921	54.1
79.05489	15.4
81.03429	12.7
81.07059	59.5
83.04996	5.8
83.08626	23.9
85.02415	6.3
85.02911	77.1
85.06593	4.6
85.53854	3.7
87.04456	4.2
87.27489	5.2
91.05495	14.7
91.20866	3.7
93.07057	28.2
95.04996	12.7
95.08617	84.3
97.02901	56.6
97.10180	49.2
99.04436	4.5
99.08087	16.5
102.07172	3.7
103.05489	12.3
105.07039	19.7
107.04960	11.6
107.08616	22.9
109.02894	6.9
109.06571	6.2
109.10162	90.6
111.04482	8.2
111.44058	3.9
115.03938	44.8
115.11216	8.0
117.07044	4.7
119.08577	23.6
121.06506	29.0
121.10107	18.9
123.11712	100.0
127.03915	20.9
129.05470	5.2
129.06976	6.0
131.08591	7.4
133.04970	12.3
133.10156	13.5
135.11711	13.3
137.13237	31.1
139.14912	7.6
143.08591	7.9
145.04993	13.9
145.10175	12.6
147.04524	4.6
147.11696	13.1
149.13246	5.2
157.10054	4.6
159.06537	5.3
159.08038	5.3
159.11771	10.4
161.13261	10.8
163.06004	6.3
163.14783	7.2
164.07016	6.9
171.11646	7.6
173.13223	6.4
175.14838	11.4
177.12683	4.1
177.16396	28.4
177.86523	3.9
179.17943	61.8
183.41293	4.1
187.14799	4.3
189.16452	13.2
191.18042	5.6
197.19016	99.7
201.16460	10.4
203.17996	9.8
207.17442	5.1
215.18021	9.4
221.19270	3.8
229.15973	4.4
233.18970	8.2
241.07063	6.7
245.19093	7.9
251.20062	7.5
257.19312	4.2
259.08221	7.4
269.19070	15.1
275.20053	5.7
287.20059	13.8
293.21310	5.0
305.21130	28.9
311.22189	5.4
312.12332	14.4
323.22226	28.6
328.11948	5.7
329.23224	7.3
341.23141	14.6
354.09784	15.5
359.24271	52.0
491.15271	5.8
492.16663	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13943	0.4
53.03931	0.5
53.54606	0.4
57.03405	1.9
58.36152	0.4
59.04960	0.9
61.86713	0.4
65.03937	3.2
69.03402	1.0
70.06578	0.9
71.57913	0.7
73.02867	0.5
79.05449	1.4
81.03372	0.5
81.07014	1.5
85.02865	1.9
87.04446	0.7
88.07589	0.6
91.05486	44.5
92.05762	0.6
93.07021	0.7
97.02827	1.4
98.97572	1.2
106.02869	1.0
107.04912	1.2
107.08582	0.5
109.06538	2.6
117.03381	0.7
118.06486	1.7
119.04948	21.0
120.04344	0.6
120.08084	0.6
122.06015	0.8
124.03901	1.2
127.03899	0.8
131.04843	0.6
132.04408	0.8
134.05949	1.0
135.04341	1.1
137.05984	42.3
144.04405	0.7
145.02759	1.6
145.04898	0.9
146.06036	2.2
146.07037	0.5
147.04335	0.7
149.06004	0.6
150.05394	1.6
151.03757	0.6
160.03854	1.7
162.05544	5.1
163.03809	1.0
163.11092	2.1
164.06924	0.6
165.05487	0.7
166.34589	0.5
174.05412	1.7
175.03781	0.5
176.07062	1.2
177.05502	2.7
178.05029	2.9
180.06534	1.3
181.08592	9.1
183.06404	0.6
190.05028	2.5
191.05702	1.0
192.06543	6.0
194.08147	8.4
196.05885	0.6
202.04852	2.0
206.04434	0.7
207.06390	1.4
208.05949	0.8
210.07571	1.1
212.09088	1.2
218.04515	4.4
220.06078	9.3
222.07602	0.8
224.05373	1.3
224.09007	0.8
225.07304	0.6
234.07602	3.6
235.04642	0.5
236.05568	13.1
238.07132	3.0
239.07747	0.8
246.03746	0.8
250.07120	19.1
252.08684	57.7
264.05176	2.6
264.07303	0.6
266.10168	0.9
268.07993	1.6
270.09741	0.7
278.06650	10.2
278.09943	1.7
282.05865	1.3
292.11676	2.3
294.09488	6.2
294.13162	4.6
296.07666	13.1
312.10941	6.2
312.14276	1.5
324.07065	1.0
324.10553	0.8
338.08725	30.3
338.12234	4.4
339.08774	0.5
356.09509	1.8
356.13309	0.7
392.30402	0.5
492.14529	100.0
493.14877	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.4
61.01152	4.4
62.99076	1.1
65.00645	9.2
68.02671	1.0
69.63644	1.2
69.64046	2.2
75.02699	1.0
85.02917	10.0
87.02703	1.1
87.96234	0.7
91.05483	2.8
93.07052	3.6
95.04990	1.0
103.05467	3.2
105.03741	3.0
121.03196	5.5
121.06521	24.1
131.01694	0.9
132.04518	1.5
144.08142	1.2
149.02693	95.5
150.05493	5.6
164.07080	36.1
190.08687	2.5
202.08685	0.7
204.10225	17.3
221.06737	1.1
234.07642	17.2
247.76476	0.6
248.09206	100.0
249.09637	1.5
250.10696	1.2
273.92496	0.6
298.07675	1.3
312.09012	48.1
313.09396	1.0
323.73798	0.7
340.08261	0.9
354.13403	14.9
367.39377	0.9
386.15823	0.9
410.71820	0.7
418.07907	1.3
418.13196	18.8
492.21085	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35906	1.4
56.05021	1.5
56.96561	1.8
60.05650	68.0
69.00922	8.8
69.03412	3.8
70.06582	2.1
71.57512	1.5
72.08153	1.4
81.03439	1.4
84.04493	2.9
85.02925	8.9
86.03555	65.2
88.02219	7.2
89.03912	1.5
91.05534	1.4
97.02889	6.0
98.97571	3.3
103.05472	1.3
105.06973	1.4
113.07111	2.8
120.04482	14.8
121.02917	1.6
122.43935	1.4
123.42178	1.4
127.03932	2.7
129.07004	1.5
130.06577	1.7
131.04971	2.3
132.04509	2.2
134.02724	7.8
135.04417	1.4
137.05954	4.4
138.51244	1.5
141.06583	20.7
143.04889	2.0
147.04424	3.1
161.05981	4.7
163.03914	10.6
165.05563	3.1
174.07872	5.9
175.03932	1.7
177.05481	2.7
184.07181	1.5
189.05476	3.9
193.04951	1.6
195.60611	1.4
197.08139	2.5
206.06854	10.8
213.05469	3.4
215.06905	1.6
219.01764	1.8
230.09254	6.2
231.06549	3.3
232.10818	14.3
235.05960	6.9
237.02878	2.0
258.08783	36.2
259.06100	5.5
260.10297	38.6
277.07150	4.9
278.11371	100.0
280.34634	1.5
286.08215	46.7
286.11398	3.0
295.08118	5.2
304.09402	2.2
305.41345	1.5
389.14392	4.5
407.15622	86.8
433.07761	1.3
433.13446	6.4
443.10495	1.5
447.03809	1.3
469.04123	1.3
492.18564	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	492.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69370	0.3
65.03938	1.9
72.08162	0.3
79.05508	1.1
81.07072	0.7
87.04474	26.0
91.05488	22.4
92.05035	0.3
93.07072	0.7
94.93738	0.2
104.05017	0.7
106.06571	1.5
107.04987	0.6
107.07342	0.3
109.06541	1.4
119.04955	12.0
120.04492	0.3
121.02855	0.3
121.06528	1.4
121.08856	0.5
122.06062	0.5
132.04480	1.1
133.05217	0.5
134.06033	3.1
135.04457	0.3
137.05989	26.1
144.04491	1.5
145.02826	0.4
148.07655	0.3
150.05547	1.4
151.06326	0.4
152.07100	0.5
157.35072	0.3
160.03951	11.6
162.05508	8.3
163.03944	0.5
164.07146	0.6
166.04854	0.3
166.08682	0.7
174.05565	0.5
176.07008	1.5
177.05626	0.3
178.05000	6.9
178.06467	0.4
180.06508	2.3
184.13754	0.3
188.03474	1.2
192.06567	13.1
194.08139	28.5
195.08568	0.4
196.06117	0.7
206.04474	1.5
210.07654	0.6
220.06067	3.0
226.10733	2.4
238.07120	6.4
246.07716	0.4
250.07164	0.4
252.08766	0.9
264.08713	2.1
266.10196	0.7
270.09836	0.6
278.07358	0.6
278.10260	5.8
280.11868	5.3
282.09595	0.5
306.09799	0.5
310.09299	1.2
312.14459	1.5
324.10809	21.6
325.11203	0.3
338.12363	1.8
354.08597	0.5
356.13474	1.8
406.15125	0.8
460.16196	1.8
492.18753	100.0
493.18924	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07185	0.6
65.03940	1.7
68.85747	0.5
69.03424	1.5
69.37660	0.6
70.06590	2.6
70.15455	2.7
71.06910	0.6
72.04490	0.6
72.22834	0.6
79.05491	2.4
81.07082	1.0
84.08139	0.8
85.02907	1.6
86.09679	0.7
87.04474	26.9
91.05486	26.0
92.05825	0.8
93.07059	2.1
94.07362	0.6
97.02905	8.7
98.97588	0.6
98.98505	0.6
101.03893	0.6
104.05068	0.7
106.06579	1.2
107.04969	1.1
109.06539	1.2
112.07598	0.9
117.15819	0.6
119.04963	12.9
121.06546	1.3
121.08962	0.8
121.10149	1.5
122.10507	0.7
123.90968	0.6
125.57018	0.6
127.03899	0.7
132.04460	1.6
133.05055	0.7
134.06018	3.3
137.05980	28.5
144.04469	1.4
145.02878	0.9
145.05075	0.7
150.05531	1.2
151.03947	1.1
160.03951	13.1
160.05197	1.0
162.05507	7.4
163.03996	1.0
164.07050	0.8
166.08687	1.2
175.06152	1.1
176.07129	2.0
177.05518	1.4
178.05008	7.6
180.06544	2.7
188.03432	1.7
192.06560	15.1
194.08139	27.4
196.06009	0.9
206.04514	1.6
207.06473	0.7
220.06116	2.0
226.10796	3.4
228.19734	1.7
238.07104	5.9
252.08601	1.1
264.08783	1.6
266.10339	0.8
278.10196	4.5
280.11807	6.4
306.09583	0.8
312.14661	1.4
324.10806	20.6
338.12445	2.4
342.10742	1.3
356.13623	1.4
367.20804	0.7
390.24832	0.9
406.15057	1.5
460.16055	1.3
492.18790	100.0
493.19028	2.2
515.93744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03944	1.2
67.05512	0.6
67.07043	0.3
69.07052	0.3
70.57894	1.0
72.08162	2.6
77.03922	0.5
79.05493	13.5
81.03392	0.3
81.07066	1.0
85.02898	0.7
86.16243	0.3
91.05477	2.7
93.07042	3.4
95.04979	1.2
95.08621	0.9
96.38634	0.3
97.02898	0.5
98.97575	0.7
103.05469	52.5
105.04491	0.6
105.07034	2.5
107.04955	24.0
107.08615	0.5
109.10153	0.5
110.97569	0.3
119.04955	0.5
119.08585	0.4
121.06506	15.5
121.60182	0.4
122.06030	0.4
131.04932	27.6
132.05331	0.5
135.11780	0.4
137.06001	1.2
149.05994	2.8
150.05492	3.2
164.07069	38.3
171.65907	0.3
177.05396	0.4
178.28191	0.3
185.92998	0.3
219.01810	0.6
237.02824	0.6
279.03821	0.5
298.10706	5.3
302.13565	0.4
312.12292	100.0
313.12753	1.5
372.14471	0.5
418.16507	14.5
450.19028	0.7
483.09946	0.4
491.73904	0.4
492.24481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03938	1.2
60.67398	0.2
67.05505	0.3
70.41270	0.9
77.03949	0.5
79.05492	14.3
81.03374	0.2
81.07048	0.5
91.05484	1.7
93.07043	3.6
95.04961	0.8
98.20812	0.3
102.04704	0.2
103.05468	51.2
104.05803	0.4
105.04530	0.4
105.07021	1.9
107.04954	22.9
121.06503	12.9
121.07209	0.3
131.04927	26.2
147.04382	0.8
148.04726	0.4
149.05981	2.7
150.05511	3.7
161.41940	0.2
164.07065	39.5
165.07724	0.3
166.08649	0.3
174.01909	0.2
187.13589	0.2
223.03539	0.2
239.62943	0.2
244.82373	0.2
270.11133	0.3
298.10748	5.8
312.12286	100.0
313.12921	1.4
372.14362	0.5
418.16489	16.3
419.16730	0.2
450.19000	0.7
475.89615	0.2
492.20407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35068	0.5
53.03929	0.9
55.05504	2.4
57.03430	0.9
57.07084	3.5
58.99576	1.3
65.03954	0.8
67.05502	4.6
69.07074	9.3
69.21432	0.9
69.21828	5.4
71.08618	2.5
77.15453	0.5
79.05065	0.7
79.05502	9.8
81.07058	4.6
83.08562	0.6
87.02699	2.7
91.05484	60.9
93.07058	2.8
95.04963	0.7
95.08637	3.2
97.88858	0.5
98.98449	0.8
103.05481	6.1
105.07036	38.8
106.06577	2.3
106.07821	4.7
107.08585	2.2
109.10155	2.0
113.00034	4.3
119.08586	0.9
121.06525	1.5
121.10120	1.0
123.11698	0.6
124.93745	1.1
133.06497	32.2
133.10197	0.6
134.07275	19.9
135.08060	64.8
137.04184	2.7
143.08859	2.7
147.08009	0.7
151.07552	15.7
155.00996	0.9
159.08063	0.7
161.09656	0.7
164.07077	0.8
165.03716	31.3
167.05283	6.2
169.02618	1.3
173.09612	0.7
179.05263	9.1
181.10124	3.2
183.04828	0.9
198.12790	53.6
277.16229	20.8
295.17288	100.0
312.12354	1.8
330.18466	0.9
335.25797	17.9
338.27469	1.1
433.32623	0.6
492.21802	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	492.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58958	0.3
64.24635	0.3
65.03947	1.5
69.30571	2.2
69.30988	0.6
79.05500	1.0
81.07078	0.3
91.05485	100.0
92.05792	0.3
101.01684	0.3
103.05492	1.0
104.21900	0.4
105.07039	4.5
106.06590	3.3
106.07810	9.8
107.05023	0.3
107.08636	0.5
119.08572	0.6
121.06505	0.3
127.51386	0.3
133.06502	4.1
134.07280	38.9
135.08067	1.5
148.07538	1.0
150.09122	0.5
151.07552	1.1
162.09142	1.6
164.07025	0.5
165.07060	1.1
166.07788	1.8
179.08531	0.4
181.08928	0.3
181.10130	11.2
196.11208	2.1
198.12790	20.8
238.12283	11.9
240.13805	0.8
312.12354	1.0
330.18536	96.6
331.19275	11.8
363.18289	2.0
492.29895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.7
56.05042	1.4
56.71166	0.2
56.96576	0.4
57.03432	0.6
58.06588	1.4
59.07380	0.4
60.08168	17.0
65.03943	0.3
67.05508	3.8
68.07810	0.3
69.07071	1.2
69.93768	0.7
69.94180	0.5
70.06552	0.3
71.07380	7.0
79.05500	1.3
81.07059	3.0
83.04983	0.3
83.08607	0.4
85.09187	0.2
86.09711	55.6
86.17309	0.2
91.05470	0.9
93.07034	1.2
95.04959	0.2
95.08621	2.5
96.49565	0.2
97.06542	0.3
97.10226	0.3
98.98467	4.5
103.05470	0.7
104.10750	96.8
105.07006	0.4
105.11047	0.4
107.04951	0.4
107.08585	0.7
109.10159	1.4
119.08597	0.5
121.06538	0.5
121.10154	0.4
123.11734	0.3
125.00011	29.6
131.04936	0.6
133.10124	0.6
135.11707	0.4
163.01550	0.7
164.07065	0.7
166.02647	0.2
184.07352	100.0
185.07671	0.3
220.17480	0.3
249.16724	0.3
258.11096	1.2
258.13907	0.3
281.86310	0.2
309.24280	1.2
311.99634	0.3
312.12311	1.6
333.17828	0.3
402.02515	0.2
420.72351	0.2
474.29843	8.5
492.30899	33.6
493.31052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
61.87665	0.9
65.03941	1.3
67.05501	1.3
69.03400	2.4
69.07042	0.9
69.69308	0.9
70.56766	2.5
73.02914	1.8
81.03417	2.8
85.02896	2.8
86.09722	1.0
89.03920	9.3
91.05474	4.3
93.07031	3.1
95.04868	1.1
97.02881	1.9
103.05486	1.4
105.06963	1.1
107.04954	1.6
115.03976	1.0
117.03386	22.2
119.04922	2.3
121.06500	6.5
134.03601	1.3
135.04417	3.3
135.08017	1.0
137.05161	1.1
137.06009	12.4
138.31969	0.8
145.02853	51.7
147.04402	2.7
149.06006	8.2
151.03912	1.5
151.07520	3.4
157.06499	1.1
161.06033	1.5
163.03917	16.1
165.05600	1.1
165.09116	0.9
167.07011	3.4
169.13864	1.0
175.07501	1.1
177.05481	100.0
179.07062	1.3
181.08614	4.0
182.08945	2.6
186.05536	1.7
217.08516	1.2
245.07999	1.5
253.09099	1.0
254.09071	1.1
315.08636	1.6
321.09824	1.5
339.10715	2.9
375.33423	1.1
493.11029	1.7
493.18375	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1707
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
57.03415	0.6
63.02403	0.6
64.68137	0.4
69.03423	1.5
70.06576	0.5
78.04663	0.5
81.03404	1.6
83.82104	0.6
85.02898	1.7
89.03916	7.0
91.05475	1.7
96.72864	0.4
97.02895	2.7
105.07040	0.6
106.04148	0.5
117.03384	18.2
119.04958	1.0
121.06541	0.8
127.03873	0.5
129.06978	0.4
131.54234	0.4
134.03610	1.5
135.04420	1.3
137.05986	7.4
145.02850	47.4
147.04422	1.0
149.06004	7.2
151.03906	0.7
151.07550	1.8
155.02628	0.5
161.06015	1.0
163.03946	2.9
163.07500	0.9
165.05470	1.0
175.07578	0.5
177.05473	100.0
178.05829	0.7
179.07025	0.6
186.05473	0.6
187.07613	0.6
191.07056	0.8
195.06535	1.2
203.07057	1.2
221.07957	0.9
233.08099	0.5
238.06274	0.5
245.08047	0.7
263.09140	1.2
267.10437	0.6
272.87988	0.5
279.08667	0.6
287.12692	1.1
321.09692	0.9
339.10706	6.4
435.50687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36101	0.7
61.55174	0.7
63.02387	0.7
63.71768	0.7
69.03443	1.1
70.04363	0.8
70.06583	1.3
70.19580	2.6
73.02932	0.7
81.03419	2.4
81.07059	1.4
84.08141	1.0
85.02907	2.4
89.03426	0.8
89.03921	7.7
91.05470	2.8
92.39153	0.6
95.04910	0.8
95.08593	0.8
97.02888	1.5
105.06976	1.2
108.81949	0.6
117.03383	22.6
119.04903	0.9
121.06506	1.2
127.03923	0.8
134.03662	1.5
135.04433	2.9
137.05994	5.8
145.02858	49.1
147.04405	2.3
149.04903	1.1
149.05980	8.1
151.07509	1.3
161.05956	1.3
163.03917	7.8
165.05502	1.6
167.06967	2.0
177.05482	100.0
181.08510	1.0
186.05540	1.0
195.06543	1.2
195.38109	0.7
245.08122	1.3
266.10361	0.7
267.10431	0.8
285.14438	0.8
321.09744	1.5
339.10492	3.8
474.25702	0.7
493.24432	1.2
501.70059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2774
Annotation	Tupichigenin C
Peak:m/z	Relative Intensity
51.65271	0.3
55.05500	0.4
67.05487	0.9
69.80888	0.4
70.37348	1.1
79.05476	0.6
81.07036	0.9
91.05479	0.4
93.07030	0.8
95.08598	1.7
105.06998	0.8
107.08566	1.1
109.10153	1.0
118.12370	0.3
119.08574	1.1
121.10143	0.6
133.10138	1.0
135.11667	0.5
145.10005	0.5
147.11618	0.4
149.13165	0.5
159.10205	0.5
161.13283	0.5
177.16370	0.4
178.16653	0.4
186.62282	0.5
187.14854	0.4
189.16273	0.7
191.17964	1.0
201.16356	1.1
202.16544	0.4
222.46979	0.4
228.31322	0.3
252.20161	0.4
340.93167	0.4
493.27536	100.0
494.27969	1.6
497.80753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70911	0.2
55.05498	0.2
57.07071	0.4
67.05491	0.3
69.07052	0.4
70.55141	0.2
74.46725	0.3
79.05465	0.3
81.07046	0.7
93.06976	0.2
95.08608	0.7
107.08604	0.3
109.10152	0.4
119.08569	0.3
132.75072	0.2
133.10095	0.3
135.11678	0.3
183.61946	0.3
305.04419	0.3
313.27368	0.7
317.06390	0.3
493.32983	100.0
494.33450	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3291
Annotation	bis(7)-Tacrine
Peak:m/z	Relative Intensity
53.45210	0.3
54.80650	0.6
67.05517	0.4
69.60585	0.5
69.60991	1.2
72.30846	0.3
81.07057	0.6
83.08624	0.4
85.91059	0.3
92.73148	0.3
93.07050	0.4
95.08630	0.6
109.10176	0.3
114.58310	0.3
162.55492	0.3
277.50131	0.3
278.38577	0.3
307.44965	0.3
339.83447	0.3
383.86362	0.3
493.33127	100.0
494.33261	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
55.01882	2.3
57.03429	4.2
60.62600	1.2
61.02928	7.9
65.03927	2.1
66.08804	1.3
69.03144	1.1
69.03440	14.5
70.06587	3.5
70.55428	1.4
70.55760	3.3
71.04994	9.0
73.02917	3.3
81.03419	6.7
81.07049	1.5
82.26579	1.2
83.04994	1.5
84.08123	1.7
85.02913	100.0
87.04458	3.4
91.03957	3.6
91.05486	26.0
95.04974	2.7
97.02907	22.2
99.04451	2.9
109.02901	6.9
109.06497	2.1
115.95532	1.3
118.06551	1.7
119.04942	15.8
121.02885	18.5
121.06515	1.8
125.02277	2.0
127.03931	23.8
129.05475	4.5
136.67305	1.2
137.05986	35.2
138.09100	2.2
139.03918	1.7
144.04364	1.4
145.04973	44.2
146.05991	2.6
147.06633	2.3
151.07556	4.6
153.05492	26.1
158.99574	1.3
162.05482	2.2
163.03934	3.3
163.06049	16.4
163.07404	2.1
165.05473	1.8
166.08633	4.9
172.03932	1.5
174.05568	1.8
180.06503	1.6
181.08609	1.7
192.06590	2.6
193.08693	1.9
194.08107	1.9
205.78459	1.3
211.05986	1.8
212.06331	2.0
218.04457	4.4
220.06041	3.4
227.43785	1.6
229.06813	1.3
232.06027	5.7
234.07617	15.7
235.09538	1.4
236.05478	4.6
244.09283	2.2
250.07118	7.9
252.08646	23.3
270.09674	3.3
278.06592	3.6
286.07144	2.5
296.07709	17.9
296.10898	1.9
300.08636	3.5
314.08914	3.2
325.11411	1.7
328.11768	1.3
335.74338	1.4
340.10190	13.4
342.09619	3.3
360.14529	1.5
370.13010	1.4
373.11966	1.4
374.12399	4.4
388.13724	3.8
416.13254	1.8
430.14795	4.0
434.19012	1.5
444.16592	2.2
450.14059	9.3
462.17560	7.6
464.53656	1.5
476.18887	5.0
494.15924	98.1
495.16617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.2
69.03427	0.9
70.47404	1.8
72.16270	0.5
79.05499	1.6
85.02913	2.1
91.05495	0.6
93.03401	1.2
97.02919	0.8
99.82583	0.6
107.04960	1.6
109.52190	0.5
111.04450	8.4
114.10337	0.7
121.02875	8.8
123.00783	3.5
126.67744	0.5
135.04425	5.5
137.05920	0.8
139.03908	1.1
145.02869	2.5
149.02350	21.7
149.06013	1.0
153.05466	5.8
155.03400	2.0
163.03912	9.9
165.05502	0.7
167.03423	3.8
177.05486	3.1
181.04971	70.9
191.03406	14.6
195.06532	0.6
205.04956	5.9
209.04460	1.4
223.06026	100.0
224.06203	0.5
241.07094	1.4
255.08649	7.0
265.07089	21.9
267.07858	0.5
297.09705	8.7
311.18066	0.7
388.59070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.05523	1.4
56.05016	1.8
58.99582	3.7
63.75404	1.2
67.05495	2.5
69.03413	4.1
69.07064	1.9
70.02949	2.1
70.06570	3.1
70.68166	3.0
71.04991	8.4
72.86424	1.1
74.00661	1.6
76.02229	7.0
76.04008	2.9
79.05496	5.7
81.07057	11.1
82.06576	1.2
83.06098	3.9
84.04501	15.3
85.01129	1.2
85.04041	1.2
85.06540	2.0
86.00641	1.2
88.02231	10.6
88.04004	1.2
91.05495	1.7
93.07029	3.3
94.06546	1.3
97.01107	2.2
97.02886	2.7
97.06538	2.7
98.78473	1.3
99.02678	2.0
99.05594	1.6
99.08118	6.4
100.02173	1.3
102.03745	3.8
105.07003	3.6
106.06534	1.2
107.07347	2.0
107.08588	7.2
109.06499	3.7
109.10146	8.8
110.07104	1.2
111.02669	3.4
113.04236	3.2
114.03743	5.1
115.02180	2.5
116.01678	3.2
117.03391	1.9
121.10133	2.9
123.02615	1.6
123.11732	9.4
125.07098	1.2
125.09621	4.1
127.11165	1.9
128.05307	35.3
129.03729	1.7
129.06586	8.6
130.04968	6.1
133.10118	3.7
135.04364	3.0
139.05760	1.4
139.11148	2.2
140.05289	36.3
141.03699	4.1
143.02731	1.6
143.05229	1.3
145.02859	1.3
145.06078	6.5
147.04352	1.2
151.11182	22.3
153.06604	1.5
153.12695	1.6
161.63080	1.5
162.02220	3.6
163.03917	24.1
165.07237	1.5
169.12224	6.3
174.02275	1.6
177.03304	4.1
179.04855	2.3
181.06058	1.5
182.09947	6.7
183.08401	2.6
185.03775	4.2
187.04175	1.4
189.03302	3.3
199.07054	1.2
201.09441	10.4
208.11583	4.4
209.09956	2.0
226.12614	25.6
227.11012	5.8
231.04424	6.9
231.07980	11.6
233.05910	1.6
243.07994	26.3
244.13649	4.9
262.14569	2.1
283.14630	1.8
311.14236	27.7
312.12607	2.6
325.09036	1.9
329.15308	100.0
330.13687	7.1
347.16425	20.6
348.14700	3.1
365.17401	30.7
401.17371	19.3
413.16962	1.2
419.18518	13.8
458.19635	2.8
468.88565	1.2
476.20770	10.9
494.21640	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	494.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
51.02384	0.6
51.27039	0.1
52.63201	0.1
53.03954	2.5
53.45186	0.1
54.25637	0.1
55.01874	0.4
65.03934	0.3
70.07359	0.3
70.07752	0.2
75.79871	0.1
77.03926	1.2
79.05473	0.2
81.03416	0.4
91.05489	12.3
92.05024	0.2
93.07053	19.2
95.04979	3.3
99.04477	0.1
102.04714	0.2
103.05479	14.9
105.04524	1.9
118.06564	0.8
120.04478	0.1
121.06518	100.0
122.06852	0.5
144.04477	1.5
146.06029	4.3
162.05518	1.2
172.04001	0.8
176.07083	4.2
178.08650	17.0
178.90511	0.1
190.04999	1.0
197.20345	0.1
204.06581	4.8
210.11249	1.3
211.16995	0.4
222.07634	20.4
223.08026	0.2
236.09225	0.8
254.10291	0.5
296.12817	0.5
298.14420	1.1
310.10779	0.3
314.26788	0.1
324.12274	1.4
330.17099	0.3
342.13394	18.1
343.13638	0.2
356.15002	0.6
374.16022	4.6
389.86380	0.1
436.17624	0.1
462.19165	2.0
494.21774	69.8
495.22107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2177
Annotation	Stephalonine C
Peak:m/z	Relative Intensity
50.01575	0.2
51.02381	0.5
53.03951	2.7
55.01851	0.5
60.45038	0.2
65.03947	0.3
65.78125	0.2
67.38214	0.2
69.63211	1.3
69.63527	0.2
77.03924	1.0
79.05510	0.3
79.28546	0.2
80.31618	0.2
81.03410	0.5
89.58274	0.2
91.05490	12.8
93.07054	18.5
95.04972	3.0
102.04694	0.5
103.05476	13.4
105.04520	1.5
108.40067	0.2
109.83260	0.2
111.12756	0.2
117.05827	0.2
118.06555	0.9
121.06516	100.0
142.42203	0.2
144.04462	1.8
146.06032	5.4
162.05519	1.1
172.03929	0.8
176.07085	4.4
178.08647	17.0
190.05008	0.9
194.59041	0.2
204.06578	4.4
210.11302	1.5
211.17036	0.3
216.58636	0.2
222.07632	19.7
236.09137	1.0
254.10303	0.3
284.00037	0.2
292.22299	0.2
296.12921	0.9
298.14432	1.1
324.12201	1.0
330.17166	0.2
342.13403	18.8
356.14954	1.1
374.15988	5.3
462.19122	2.5
494.21774	84.2
495.22220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3242
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
50.24296	0.1
50.88341	0.1
53.31102	0.1
55.05269	0.2
55.05501	1.1
56.05035	0.9
56.96556	0.1
57.03432	0.4
57.07058	0.4
58.06580	1.0
59.07383	0.4
60.08165	11.6
61.41519	0.1
62.50728	0.1
64.10077	0.1
67.05508	1.0
69.07068	1.7
69.25365	1.0
69.25783	0.4
69.26019	0.1
70.06596	0.3
71.07377	4.4
71.08630	0.4
71.93648	0.1
79.05488	0.7
81.07057	1.0
83.08635	0.7
86.09706	39.7
87.10041	0.2
90.18610	0.2
91.79371	0.1
93.07044	0.8
95.08618	0.9
95.80613	0.2
97.06553	0.2
97.10156	0.4
98.21445	0.3
98.98467	3.2
104.10745	51.0
107.08586	0.3
109.10171	0.3
111.11699	0.2
121.06368	0.1
121.10161	0.4
125.00005	22.9
132.11598	0.1
135.11700	0.4
149.02330	0.3
154.94250	0.2
163.01576	0.4
172.95314	0.2
184.07341	100.0
208.92802	0.1
225.16194	0.2
258.11044	0.6
284.29456	0.2
311.25894	0.7
415.90683	0.2
417.23965	0.2
453.17288	0.2
471.18320	0.2
476.31409	5.1
494.32440	18.4
505.35275	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	495.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39005	1.9
67.68539	2.2
69.93004	4.0
69.93398	6.2
73.54662	2.0
91.05459	2.2
93.07050	2.8
100.39980	2.0
121.06468	17.0
137.05933	2.6
161.95810	2.4
163.03943	2.7
180.06544	21.8
195.06433	2.3
209.20836	2.0
210.07610	6.2
224.09190	79.9
266.10245	100.0
372.14383	12.8
446.18192	12.0
459.48969	2.1
493.94345	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3449
Annotation	Papuaforin D
Peak:m/z	Relative Intensity
60.99017	0.2
67.05499	0.4
69.07063	0.3
70.40552	0.2
70.62745	0.5
70.63157	0.4
81.07075	0.4
82.55827	0.2
83.08640	0.2
93.07075	0.3
95.08605	0.5
99.96975	0.3
105.07098	0.2
107.08561	0.3
109.10194	0.4
121.10168	0.3
254.39969	0.2
285.79913	0.2
325.70200	0.2
337.96582	0.2
477.33447	2.1
495.34515	100.0
496.34921	2.3
513.70667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28907	4.3
55.05509	5.9
57.07084	30.7
67.05488	8.6
69.07072	27.8
70.96018	10.9
71.08625	14.6
73.74014	4.8
81.07047	15.6
83.08629	14.1
83.24531	4.0
85.10186	8.3
90.29118	4.8
93.07043	11.1
95.08618	12.3
97.10174	10.8
98.20936	5.4
109.06577	7.2
109.10165	5.1
111.11770	5.4
123.08084	9.8
125.05994	15.2
127.07564	22.8
139.07545	73.0
151.07454	5.7
177.09132	8.1
249.87822	4.4
319.30081	8.6
347.33041	7.2
359.99146	5.2
388.77310	5.0
402.35632	5.3
405.15048	5.1
417.37393	13.8
445.36850	32.0
477.39413	100.0
495.32166	6.3
505.06250	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	496.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77282	0.4
53.03947	0.9
55.01860	0.8
57.03450	2.2
61.02939	2.6
66.15012	0.4
69.03437	6.4
69.23632	2.4
69.24063	1.7
70.06609	0.5
71.04991	1.5
73.02909	1.4
73.63081	0.4
81.03429	2.8
85.02914	39.7
87.04470	0.9
91.03957	1.8
91.05496	12.3
91.21023	0.5
97.02908	10.6
98.97588	0.9
99.04446	1.5
100.24612	0.5
105.07011	1.1
106.53632	0.4
107.04949	0.8
109.02899	3.3
109.06515	1.0
119.04955	8.4
120.40929	0.5
123.04442	0.9
125.55843	0.4
127.03928	9.8
131.04956	0.7
133.06529	0.7
135.04483	0.8
137.05992	100.0
138.06326	0.7
145.04980	17.5
147.04430	0.9
149.06001	1.4
151.07600	2.5
155.07060	13.7
157.06526	1.5
161.06033	2.8
163.03918	1.1
163.06036	8.0
165.05513	1.0
167.07089	1.7
173.05952	0.6
175.07587	1.5
177.05585	0.7
179.07082	4.4
185.06024	0.6
191.07071	0.9
199.07497	0.6
203.07045	2.9
205.08675	0.7
217.08662	1.1
221.08092	2.8
233.08083	1.0
245.08090	2.6
251.09135	1.1
263.09195	6.0
265.06387	0.6
280.33084	0.5
281.10223	3.3
289.09158	0.7
299.11377	1.3
317.12323	1.4
325.11444	1.2
355.07019	0.7
496.18790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
57.03446	4.9
59.09460	0.7
61.02929	1.1
67.05513	10.2
69.03433	3.8
69.07063	2.4
69.96972	0.8
70.06565	0.9
71.04994	1.8
71.56441	1.2
73.02924	10.0
78.47302	0.7
79.05499	4.5
79.96495	0.8
81.07062	9.4
83.04977	2.7
84.08132	1.1
85.02911	1.9
87.04457	1.5
91.04964	1.3
91.05489	15.3
93.07059	8.4
95.08640	1.3
97.02895	12.3
105.07040	19.2
107.08608	20.3
109.06550	1.0
109.07631	0.8
109.10168	36.1
115.03928	3.1
121.06550	1.4
121.10102	1.0
123.08052	0.8
123.11723	5.4
125.02347	2.2
131.08600	1.1
133.10141	94.8
143.03410	2.4
144.18967	0.7
151.11194	100.0
161.04460	3.5
163.03947	3.5
169.12257	58.2
174.77164	0.8
187.13313	65.4
215.12816	11.8
284.10333	2.5
290.08548	1.1
316.12888	2.2
329.15894	1.1
362.51007	0.7
422.17566	1.8
454.60797	0.8
496.17929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
57.07067	0.9
60.08161	5.1
67.05503	0.5
69.07082	0.8
71.07392	2.6
71.08639	0.4
71.59099	0.6
75.20612	0.4
79.05490	0.5
81.07038	0.9
84.08137	0.4
86.09708	27.5
93.07024	0.4
95.08596	1.2
98.97572	0.9
98.98470	2.3
104.10740	2.7
105.07061	0.4
107.08578	0.5
109.10127	0.7
119.08568	0.6
121.71674	0.4
125.00011	18.9
133.10185	0.5
158.99544	0.4
159.11647	0.6
178.48694	0.3
184.07344	100.0
187.14818	0.4
189.16512	0.6
240.11980	0.7
243.38841	0.4
322.91949	0.4
352.20810	0.7
359.18491	0.4
395.19647	0.3
403.68588	0.4
454.30057	0.7
478.33029	1.6
496.34760	10.5
497.36423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05025	0.8
57.03428	0.4
57.07082	1.8
57.98165	0.3
58.06606	1.5
59.07380	0.4
60.07880	0.8
60.08167	12.2
62.72735	0.3
65.82047	0.4
67.05473	0.5
67.55311	0.3
69.07079	0.4
69.39622	2.1
69.40030	0.7
71.07380	4.4
71.08620	1.5
73.70181	0.3
74.93922	0.3
81.07079	0.6
83.08631	0.5
85.10175	0.5
86.09708	35.5
95.08609	0.8
98.20779	0.8
98.98478	2.6
104.10748	100.0
105.11069	0.4
125.00010	20.0
163.01663	0.4
184.07346	96.2
185.07521	0.4
200.27168	0.4
207.32219	0.3
258.11066	1.5
313.27414	1.9
361.51730	0.3
365.48117	0.4
419.25897	0.4
437.60083	0.4
478.32980	13.1
496.33994	54.3
497.34387	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.8
59.57177	8.0
67.05501	33.3
69.07062	32.4
71.59073	9.4
74.74636	8.8
79.05495	18.3
81.07066	64.1
83.08611	12.4
91.05486	20.5
93.07048	52.7
94.73408	8.1
95.08614	100.0
105.07050	36.4
107.08604	74.9
109.10156	56.2
110.21455	9.2
111.08072	29.9
119.08584	62.7
121.10166	57.3
123.11668	21.3
131.08566	14.1
133.10133	37.1
135.11717	23.0
145.10135	25.8
147.11667	31.3
149.13254	32.0
157.10141	10.9
159.11743	27.6
161.13248	30.0
163.14822	73.1
173.13269	20.8
175.14832	21.4
177.09177	9.0
177.16451	16.7
187.14854	18.5
189.16377	40.3
191.17941	13.5
201.16377	48.0
203.17914	46.1
207.17448	14.2
213.16483	11.0
215.18030	26.9
221.18913	11.4
225.16405	9.4
227.17897	9.7
237.63814	8.4
238.72598	7.9
247.17009	29.4
261.18539	8.3
329.09912	8.7
351.30389	17.4
391.33377	17.1
409.34692	34.2
437.34045	51.1
455.35031	10.4
496.29727	13.9
496.36914	91.2
497.36166	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	497.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.01878	1.8
55.05513	1.1
57.03444	1.5
65.03938	2.0
66.47128	0.7
67.05496	2.7
69.03432	5.1
69.07069	1.3
70.74854	0.9
70.75173	2.0
71.01356	1.0
71.04996	1.9
73.02909	2.2
79.05500	7.0
81.03432	5.7
81.07065	2.9
83.01330	0.9
83.05013	1.0
85.02895	5.8
91.05486	8.7
93.07050	7.1
95.08613	5.5
97.02898	10.1
97.06559	1.3
99.04451	2.6
103.03951	4.2
103.05448	1.4
105.07045	4.8
107.04980	1.7
107.07867	1.5
107.08601	30.0
109.02893	10.2
109.06528	2.0
109.10185	2.4
111.04444	0.9
111.08089	3.5
113.09655	2.3
115.05468	1.9
117.07017	3.0
119.04951	3.4
119.06183	0.9
121.06480	5.0
123.04444	2.5
125.05963	1.5
127.03921	7.9
128.06219	2.3
129.07007	4.6
131.04956	2.3
133.06512	2.7
135.08063	100.0
137.05992	14.2
139.07581	0.9
143.04951	1.0
143.08592	1.6
145.04968	19.0
145.06569	1.6
147.04439	5.8
149.05998	4.8
151.07579	3.3
153.07005	2.5
153.09119	14.4
155.08582	1.2
157.06508	3.8
160.05174	1.5
161.06001	7.8
163.03941	2.2
163.07553	5.2
165.05496	13.0
167.07014	1.2
171.08081	2.3
173.06007	2.5
174.06770	1.4
175.07562	8.0
177.05432	2.2
179.07071	4.3
181.06563	3.2
181.08623	16.9
185.06018	4.0
187.07524	1.6
189.05576	1.3
189.09030	1.4
191.07004	1.6
195.06564	1.4
199.07600	5.9
199.09679	17.1
203.07013	11.0
205.08664	2.6
209.05916	1.1
217.08669	7.2
221.08133	6.6
223.09605	0.8
227.07030	4.9
233.08203	1.9
241.10815	2.3
245.08112	29.6
263.09137	19.3
266.10242	1.6
271.11816	1.1
281.10223	2.1
281.24774	1.7
283.11768	2.5
299.25751	1.5
307.11957	3.8
317.13678	1.0
322.97308	1.1
325.12723	2.5
443.17020	1.5
461.18494	1.4
470.12286	0.9
497.14423	1.6
497.23581	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	498.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05037	1.0
69.03429	1.1
69.38163	3.9
70.06596	100.0
71.04971	0.8
71.06940	0.6
79.39285	0.5
81.03417	0.8
81.07048	0.8
85.02914	2.4
85.54916	0.5
91.05476	1.7
91.60074	0.4
93.07051	0.6
97.02914	2.4
97.06509	0.5
98.20770	0.8
98.97569	1.0
105.85519	0.5
109.02897	4.6
112.07615	89.0
116.07092	2.5
119.04978	0.9
127.03937	1.0
127.95103	0.5
128.98596	0.4
130.38113	0.5
135.04366	0.5
137.06004	2.1
140.07076	60.0
145.04942	0.6
147.04416	4.2
158.08147	9.7
158.37793	0.5
163.03857	0.6
165.05458	1.0
168.79320	0.5
179.07047	1.6
212.09244	0.5
230.10249	1.1
242.28365	0.5
266.10376	3.4
284.08414	0.8
284.11325	9.5
290.40195	0.5
302.12497	2.5
321.99319	0.5
349.05905	0.5
376.42102	0.5
481.11847	0.5
481.18906	0.5
498.16641	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.21
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65073	0.7
60.81139	0.6
69.07060	1.4
69.70384	4.5
73.02913	1.8
73.06548	1.4
86.62613	0.6
112.92059	0.6
121.06489	4.1
122.06840	0.8
125.00012	0.7
137.05884	0.8
141.22310	0.7
146.17967	0.7
159.63213	0.7
164.07062	1.7
167.05780	1.3
182.08151	23.5
204.06253	1.5
226.19044	0.7
230.11505	1.2
234.14894	2.9
256.13110	7.8
274.14157	58.6
274.90472	0.7
296.14938	33.6
298.14041	1.0
318.13141	100.0
436.20892	9.5
498.15207	1.2
498.21051	19.2
498.27335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
57.08659	0.6
62.18769	0.6
66.97579	0.6
70.05341	1.6
70.05727	1.6
86.09686	0.9
91.05478	3.5
93.07034	5.0
95.04982	1.9
98.21374	1.0
103.05462	4.4
118.06557	0.9
118.66714	0.7
121.06516	100.0
122.06855	1.4
146.06049	0.9
149.02322	0.7
161.80020	0.6
163.73123	0.9
181.04985	4.6
204.10269	1.2
207.19318	0.8
223.06017	4.9
265.07294	1.0
301.03467	0.8
403.14026	1.1
498.15155	2.2
498.21936	1.2
498.28098	3.3
498.35040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01873	0.8
67.05497	1.0
68.05022	0.5
69.03059	0.8
69.03427	5.5
69.46748	3.0
69.47430	0.5
71.05000	1.7
79.05495	5.0
81.03426	3.7
81.07053	0.8
83.01358	1.0
84.04524	1.1
85.02913	1.6
91.05489	5.7
93.07061	6.5
95.04977	1.0
95.08602	0.5
97.02902	12.5
97.06537	0.9
99.04451	2.9
103.05475	0.8
105.07010	2.5
107.04972	2.2
107.08604	28.6
109.02892	13.9
109.06541	1.9
109.10165	1.9
111.08122	4.0
114.05539	0.9
114.45320	0.5
115.03944	1.3
117.07027	2.0
119.04989	0.8
119.06068	0.7
119.08602	0.7
121.06523	7.1
121.10148	0.5
125.06007	1.1
127.03928	11.9
133.02881	3.1
135.08067	100.0
136.08400	0.6
137.05983	2.2
137.09674	1.5
138.05524	0.8
139.07567	1.5
145.04976	29.1
147.04404	0.7
147.07973	0.6
149.06006	1.2
153.09125	12.2
156.06512	0.5
163.07574	6.0
175.03949	1.9
177.05522	0.6
181.08620	17.1
199.09680	20.9
233.05989	0.6
241.10716	0.5
247.09499	0.9
250.55849	0.5
253.10945	0.8
271.11743	2.6
289.10800	1.4
290.96185	0.5
307.11774	8.9
325.13013	12.1
343.13809	4.9
395.25946	0.5
445.00903	0.5
498.17545	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
65.42382	0.5
71.32938	0.4
71.58775	0.7
81.42411	0.4
91.05490	3.6
93.07043	5.0
95.04983	1.1
97.02883	1.1
103.05467	3.7
105.04515	0.6
119.04910	0.5
121.06508	100.0
122.06882	0.7
133.02869	0.8
135.04393	0.5
137.05998	0.5
149.02367	1.2
163.03938	0.8
165.05563	0.5
181.04962	3.6
191.03397	0.6
204.08653	0.8
209.04556	0.7
223.06023	4.6
255.08853	0.7
264.12262	0.8
265.07153	1.1
283.08157	1.4
288.24008	0.5
293.08496	0.6
325.10715	0.5
403.13913	1.7
443.64056	0.6
498.16730	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01861	3.3
53.03942	9.6
55.01862	10.2
55.05522	17.5
57.03431	9.2
67.05514	26.5
69.03439	56.1
69.07065	6.6
70.00147	12.2
70.06594	100.0
71.04995	19.8
75.10511	3.2
79.05491	11.3
81.03415	8.8
81.07058	97.1
83.04990	27.1
85.02915	52.1
85.06559	3.8
87.04462	30.7
91.05474	21.5
93.07045	93.9
95.04977	39.0
95.08605	16.8
97.02905	38.5
97.06508	4.8
97.41740	3.3
99.04440	3.6
105.07031	39.1
107.08587	56.7
109.02880	4.9
109.06507	9.3
109.10168	16.6
110.05950	3.3
112.07612	89.5
115.03941	36.5
116.78493	3.3
119.04927	4.4
121.06577	3.7
121.10140	10.2
123.08041	9.7
123.11696	45.7
125.05997	4.7
127.03928	10.7
133.04965	34.1
133.06456	4.3
133.10146	66.0
133.41176	3.6
135.11743	5.4
137.05956	7.2
140.07076	59.4
145.05000	10.1
147.04460	6.0
151.11195	58.6
158.08113	9.1
161.04533	3.4
161.06061	3.7
165.05476	6.1
169.12245	10.7
173.16269	3.1
179.09106	5.0
181.52339	3.4
217.12523	3.1
247.13422	5.0
249.92258	3.6
265.14377	5.8
283.15332	8.2
284.11304	13.1
301.55392	3.3
414.95004	3.3
498.13583	12.4
499.18460	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	498.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.6
55.05524	1.4
55.61064	0.5
55.92774	0.5
57.03442	6.0
61.02923	2.3
66.10882	0.5
66.89248	0.6
67.05509	9.3
69.03436	7.4
69.07081	1.9
69.81541	2.7
71.05005	1.6
73.02926	14.9
73.03339	0.5
79.05504	4.5
81.03435	0.9
81.07067	11.9
83.05001	2.7
85.00609	0.6
85.02905	9.3
85.05546	0.5
85.06551	0.7
91.05491	12.7
93.07050	6.5
95.06098	1.7
95.08638	1.0
97.02904	9.4
98.21443	0.8
99.04479	0.8
105.07035	17.4
107.08601	19.3
109.02876	0.9
109.06529	1.1
109.10162	30.1
115.03941	7.3
123.08060	0.6
123.11726	5.7
127.03923	3.2
127.07569	0.6
128.79918	0.5
133.05000	2.0
133.10141	86.3
134.28862	0.6
141.26730	0.5
145.04968	2.1
146.29662	0.6
151.11195	100.0
152.11357	0.5
163.06018	1.0
168.68889	0.6
169.12257	61.4
187.13306	88.6
188.13754	1.1
223.06079	1.2
241.06999	1.2
258.12314	1.7
259.08154	1.2
273.47833	0.6
338.49411	0.6
404.83334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01878	0.7
55.05518	1.1
57.03434	3.7
57.34724	0.5
59.04991	2.9
65.03985	0.5
67.05509	1.7
67.92525	0.5
68.05070	0.7
69.03088	0.6
69.03431	15.5
69.07082	0.7
69.60282	2.3
69.60686	1.1
70.06582	0.7
70.84476	0.5
71.04996	7.6
73.02916	1.9
79.05503	13.8
81.03432	0.6
81.04546	1.3
81.07062	77.1
83.04982	4.5
85.02912	10.2
85.06523	0.7
87.04472	11.4
93.07043	3.3
95.04986	0.7
95.06107	2.2
95.08630	1.2
97.02889	14.5
97.06530	1.7
98.21478	1.0
105.07030	1.1
107.08601	3.0
109.06548	1.8
109.10169	5.9
111.08110	0.7
115.03944	17.9
121.06519	1.9
123.08067	0.6
123.11719	6.6
127.03938	1.2
131.18527	0.6
133.04979	17.3
133.10117	2.4
139.11188	2.0
145.02756	0.6
145.04971	2.4
150.07635	1.2
151.09988	0.8
151.11197	14.1
157.12244	0.8
163.04077	0.6
169.12251	100.0
178.08661	1.0
187.13304	27.1
241.07170	0.7
259.08087	1.7
272.14008	0.8
275.93616	0.6
277.09161	0.6
283.15375	0.9
295.10217	1.5
454.19623	2.3
498.14542	0.9
498.23120	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57138	2.3
53.03943	8.3
55.01880	5.7
55.05516	23.4
57.03440	28.9
57.07082	11.7
58.06621	2.7
60.08167	20.9
61.02636	4.2
61.02927	56.5
61.08496	5.3
67.05507	73.3
68.23668	2.4
69.03432	35.1
69.07075	35.0
69.30043	14.2
69.30464	7.5
71.01355	5.6
71.04993	6.1
71.07380	7.8
71.08627	7.1
72.07706	2.7
72.08965	3.2
73.02918	29.1
73.69208	2.4
75.04482	2.9
79.05498	28.6
81.03424	19.4
81.07060	88.5
83.01338	2.6
83.04977	6.4
83.08624	21.9
85.02909	64.0
85.06565	2.5
85.10187	4.2
86.09710	56.4
87.04472	4.0
87.10045	27.1
88.10410	2.9
91.03962	37.0
91.05482	20.7
93.07040	28.3
95.04990	5.5
95.08612	69.7
97.02898	50.7
97.06559	6.6
97.10153	11.2
98.98469	8.5
99.04451	9.4
99.08108	3.2
101.02364	14.7
103.03922	12.2
103.11320	2.4
104.10046	4.5
104.10748	92.1
105.07038	17.8
105.10438	3.1
105.11079	45.6
106.11246	8.6
107.08580	17.4
107.11579	3.9
109.02881	11.4
109.10155	30.9
111.04509	3.1
111.11749	3.3
115.03933	7.5
117.05511	3.6
117.06982	2.9
119.08559	11.4
121.10139	16.8
123.11716	15.6
125.00002	26.1
125.09627	3.6
126.00333	5.1
127.00424	14.8
127.03910	23.6
127.11131	2.8
129.05482	3.6
131.08542	5.3
133.10149	14.1
134.10445	2.8
135.11731	12.7
137.09668	2.9
137.13260	3.4
145.04977	9.1
145.10106	4.5
147.11708	9.6
149.13315	11.2
151.14812	2.8
157.09990	2.8
159.06546	2.7
161.13257	9.4
163.14850	10.8
175.14810	6.0
183.06508	6.8
184.07353	70.8
185.07701	38.4
186.07800	42.0
187.08107	14.5
201.07669	5.1
210.41377	2.4
245.22517	11.6
263.23779	25.4
278.22009	3.9
314.27780	3.8
318.25250	2.8
337.27383	100.0
365.26743	5.9
371.25970	4.4
445.29404	4.0
464.30667	3.1
481.33902	14.1
499.34412	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99574	2.9
53.03937	10.7
55.01862	8.7
55.05309	2.8
55.05517	32.8
57.03445	31.2
57.07058	8.9
61.02932	67.6
65.03920	4.2
67.05512	86.4
69.03439	41.5
69.07079	38.7
71.01350	9.1
71.04984	9.0
71.08614	3.8
73.02932	31.3
79.05063	3.1
79.05500	37.2
81.03423	25.6
81.07066	100.0
83.04950	7.0
83.08633	25.0
85.02425	4.3
85.02912	65.7
85.06538	6.1
85.10194	2.8
87.04485	3.5
91.03963	32.6
91.05484	30.4
93.07055	43.6
94.71047	2.2
95.04938	7.0
95.08619	84.9
97.02895	53.6
97.06529	7.6
97.10164	14.2
99.04462	12.7
99.08135	5.4
101.02407	13.3
103.03949	9.2
103.05473	3.2
105.07035	18.8
107.08596	22.7
109.02872	10.6
109.06570	4.6
109.10168	30.7
111.04434	3.4
111.08096	4.8
111.11700	3.5
115.03916	4.1
117.05460	4.2
117.07044	2.8
119.08601	19.0
121.06511	16.8
121.10161	19.2
123.08089	2.8
123.11693	18.1
127.03944	22.5
127.11163	2.9
129.05461	7.2
131.08557	8.5
133.10152	15.8
135.11690	15.4
137.13268	7.5
139.11200	3.0
143.08580	3.4
145.04970	6.6
145.06506	2.5
145.10043	5.6
147.11697	11.5
149.13263	9.8
151.14796	3.1
157.10182	4.4
159.11700	4.1
161.09610	2.7
161.13226	8.6
163.14809	9.7
165.12700	2.9
173.13235	2.8
175.14861	4.1
183.06543	6.5
185.13268	3.4
189.16382	4.5
193.15910	3.3
201.07458	4.7
240.11734	2.3
245.22629	11.1
249.23395	2.7
263.23801	24.4
269.17435	2.6
291.23029	2.9
303.23160	3.9
305.24619	4.9
317.24863	2.9
337.11810	4.0
337.27396	94.7
353.25021	4.1
365.27112	5.8
371.25781	7.1
389.26648	3.7
445.29590	4.1
463.30508	4.6
464.30850	5.0
481.31561	9.6
499.32858	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	499.34
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
53.48551	0.3
55.05508	0.4
55.28024	0.3
61.46502	0.3
64.88438	0.3
65.15627	0.3
67.05507	0.3
67.75754	0.3
71.58226	0.3
81.07047	0.8
83.04987	0.4
86.22157	0.3
91.05460	0.6
93.07032	0.5
95.04975	0.4
95.08626	0.8
99.83621	0.3
105.07031	1.0
107.08607	1.0
109.06516	0.4
119.08604	1.0
121.10158	1.0
131.08527	0.3
133.10139	0.6
135.11667	0.4
145.10110	0.5
151.03903	0.3
153.45299	0.3
157.10213	0.4
159.11700	0.6
161.13359	0.5
171.11674	0.6
173.13271	0.4
199.14841	0.4
201.16414	0.5
203.18080	0.4
228.21550	0.3
241.15833	0.4
244.04184	0.3
304.15494	0.9
453.18903	0.3
453.30118	0.7
481.32956	0.3
499.33997	100.0
500.34482	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67173	0.3
60.82430	0.3
61.33761	0.4
69.44577	2.7
73.44897	0.4
82.39704	0.3
91.05450	0.9
103.54670	0.4
114.94141	0.3
117.17812	0.4
119.04961	0.8
121.06496	1.2
135.06801	0.6
137.05974	5.2
148.03922	1.1
151.06250	1.2
152.07030	1.4
162.05466	1.1
164.07018	1.2
165.05472	0.7
166.04982	2.3
169.03714	0.6
179.05705	1.2
180.06601	4.9
181.04881	0.4
188.03206	0.4
190.04877	1.6
194.08136	14.7
195.08842	0.6
203.05528	22.3
206.08173	0.5
208.09705	2.9
210.07623	12.3
213.06331	0.5
218.07903	34.5
221.06572	0.6
222.90854	0.4
223.08466	0.5
224.09160	1.4
236.08887	4.4
238.10765	17.4
248.08963	12.1
254.10237	1.6
265.11099	0.4
290.10007	100.0
291.10358	1.2
298.12878	56.0
299.13229	0.5
308.11069	6.3
320.11011	4.4
356.14825	0.9
378.13583	0.5
500.18945	36.9
501.19843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.99801	0.3
59.02238	0.4
69.36500	2.8
69.36911	0.7
80.48605	0.4
85.02914	0.4
91.05481	4.4
91.40891	0.5
93.07054	7.2
95.04971	1.3
98.21513	0.8
103.05476	5.3
105.04524	0.5
121.06509	100.0
122.06828	1.0
137.02350	1.1
153.05438	0.6
165.01892	1.0
179.03392	1.9
207.02904	2.0
211.06055	0.8
239.05556	1.7
253.07069	4.1
285.09805	0.5
320.15204	0.5
500.19226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
52.01225	0.3
53.03944	1.3
65.03931	0.5
69.36085	2.1
76.20322	0.3
79.05463	0.4
81.06957	0.3
91.05486	4.5
93.07048	7.3
95.04974	1.7
98.21500	0.7
103.05483	5.5
105.04530	1.0
109.02916	0.4
121.06512	100.0
122.06844	3.0
123.04433	0.3
137.02376	0.8
146.06036	0.5
147.06325	0.4
150.05539	0.4
151.03865	0.6
153.05531	0.4
164.07037	0.4
165.01836	0.4
169.07622	0.5
179.03346	2.2
207.02863	1.2
211.06026	1.5
221.11424	0.3
225.07826	0.5
239.05460	0.7
253.07114	4.4
285.09683	1.1
291.11377	0.7
292.11597	1.1
305.42981	0.3
336.11148	0.3
337.11859	3.6
338.12143	6.4
359.10986	0.4
380.13400	0.9
433.14999	0.6
453.26682	0.3
458.17966	5.6
504.14767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01871	2.2
55.05512	1.0
56.19050	0.7
67.05508	7.6
69.03418	3.2
70.06594	3.4
71.04989	1.2
71.57329	0.7
72.72804	0.7
73.02914	1.1
74.47472	0.7
79.05479	1.2
81.03421	9.6
81.07059	1.5
83.04977	0.7
85.02903	2.5
91.05483	17.1
93.07045	12.9
95.08053	1.3
95.08611	16.1
97.02899	3.7
98.06052	1.4
98.21056	0.9
99.04484	1.9
101.02377	8.0
105.07005	1.3
108.43697	0.8
109.02872	16.3
109.06539	0.8
109.10163	11.5
112.11307	0.7
117.07014	1.3
119.08588	53.5
121.06525	5.1
123.08082	0.9
127.03922	13.4
128.07083	0.9
129.07008	1.0
137.09622	48.1
139.12303	1.3
147.08046	4.4
147.33382	0.8
155.10663	3.5
164.07126	1.8
165.07671	1.2
165.09100	7.4
167.91902	0.8
183.10152	3.4
201.11226	100.0
202.11537	1.0
243.12247	2.8
255.12329	3.6
291.12292	2.6
309.13336	10.7
319.13043	5.2
320.13199	9.0
327.14380	28.2
345.15427	1.4
348.93677	0.7
365.00943	0.8
426.17386	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.26181	0.6
54.44861	0.8
55.05502	1.6
57.03439	3.6
57.07069	0.7
59.04987	2.3
67.05500	1.6
69.03432	11.6
69.07056	2.7
70.06593	5.6
71.04993	11.5
71.57624	1.2
72.08136	0.8
73.06566	3.5
79.05498	4.3
81.03416	1.6
81.06582	1.2
81.07058	18.6
83.04951	0.7
85.02910	9.8
85.06545	1.5
87.04475	9.3
91.05477	1.4
91.49512	0.7
93.07046	14.8
95.04988	1.3
95.06078	1.5
95.08604	3.5
96.04484	1.2
97.02894	12.6
97.06533	1.9
99.04443	1.2
106.95818	0.8
107.08602	9.5
109.02856	1.2
109.10152	1.6
112.07594	3.4
115.03936	17.6
118.72351	0.7
119.08592	0.9
121.06509	0.7
123.04456	1.0
123.11698	0.9
124.03986	1.0
127.03908	2.1
127.11168	0.8
133.04965	17.7
135.11691	20.3
137.05983	1.0
140.07071	3.1
145.02783	0.9
145.04941	2.4
146.96065	0.7
150.07642	0.7
153.12750	100.0
163.03865	1.2
171.13799	3.2
177.05508	1.2
225.81178	0.9
241.06834	0.7
259.08209	2.2
269.97174	0.7
277.09229	1.0
295.10135	4.0
498.86346	0.9
500.18369	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	500.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05496	0.2
53.03944	0.6
55.01868	0.5
55.05303	0.2
55.05521	3.3
56.02981	0.3
56.05042	5.1
57.03440	1.4
58.06603	0.4
58.31533	0.3
60.08150	1.0
61.25548	0.3
65.03954	2.6
67.05169	0.5
67.05511	6.8
69.07077	1.6
70.06596	0.5
70.56545	0.6
70.56934	0.5
71.04974	0.5
71.07381	20.1
79.05495	6.9
81.03430	0.3
81.07067	6.0
83.04993	1.1
83.08638	0.6
84.08123	0.3
86.09713	81.1
90.99492	0.6
91.05482	3.1
93.07054	7.9
95.04989	0.6
95.08622	4.1
97.06546	0.4
98.98477	8.2
104.10757	2.8
105.07033	1.9
107.08617	2.7
109.10165	1.2
114.50532	0.3
117.07040	0.7
119.08580	1.2
121.06483	0.4
121.10153	2.1
123.11660	0.3
125.00015	22.2
131.08575	1.0
133.10138	0.4
135.11700	1.1
136.99997	3.4
145.10094	0.6
147.11693	0.5
149.13229	0.4
161.13335	0.4
163.01572	19.6
168.15471	0.2
170.66525	0.3
173.13278	0.4
180.95833	0.4
181.02644	2.0
184.07362	7.2
246.92282	0.3
317.18036	0.4
441.23996	6.0
442.24405	0.3
500.31393	100.0
501.31833	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11201	3.2
51.38167	3.3
55.05514	13.0
57.03413	6.2
57.07074	4.7
62.27772	3.3
62.28085	2.9
64.79832	3.4
67.05511	53.9
68.28545	3.7
69.07071	20.6
71.04983	11.1
71.57718	4.7
71.64133	3.1
79.05512	28.4
81.07064	78.4
83.04933	5.1
83.08606	11.7
85.06547	16.9
91.05495	28.4
93.07047	33.9
95.04929	4.6
95.08617	66.4
97.10174	4.9
105.07030	32.7
107.08611	32.9
109.06535	3.4
109.10170	69.1
111.08079	4.0
119.08572	8.0
121.10163	15.2
123.11717	18.2
123.12469	3.6
131.08574	9.4
133.10133	80.9
135.11682	15.4
141.25681	3.6
145.10109	6.3
147.11703	5.2
149.13240	7.4
151.11183	56.3
159.11800	4.4
161.13287	4.6
169.12257	14.8
187.13319	21.3
243.21091	6.7
261.22153	24.9
269.17581	5.0
271.18948	5.0
279.23203	100.0
297.24265	44.6
354.75580	3.7
369.43518	3.6
465.31924	11.8
500.38620	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	500.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
57.07058	1.6
60.04505	3.0
67.05501	4.8
69.07071	6.6
70.06581	3.2
70.76340	1.4
70.76671	2.7
71.04997	1.7
79.05493	4.0
81.07064	12.1
83.04984	4.0
83.08629	2.3
91.05482	5.0
93.07045	11.2
95.08622	19.6
97.10114	1.5
99.08079	2.0
100.07638	4.0
105.07062	9.5
107.08605	21.1
109.10165	13.8
114.09212	1.4
115.88772	1.2
119.08584	15.1
121.10152	14.6
123.08034	1.8
123.11720	7.3
124.66357	1.2
131.08549	3.5
133.10133	10.5
135.11700	18.4
137.13260	3.3
145.10132	4.8
147.11725	8.2
149.13263	6.2
156.10223	1.6
157.10158	1.7
159.11694	6.8
161.09485	1.6
161.13278	6.8
163.14847	5.7
171.11765	2.0
173.13235	3.8
175.14856	2.6
177.16423	1.7
179.14328	1.7
185.13255	1.4
187.14821	4.1
189.16400	5.2
191.17958	21.5
199.14877	2.3
201.16432	5.7
203.17999	4.1
205.19530	1.6
207.17474	2.5
213.16367	1.7
214.63533	1.3
215.18022	6.0
217.19557	2.5
225.16586	1.4
233.19119	1.8
274.21762	1.3
343.29971	1.5
405.35107	1.7
423.36493	3.2
441.37265	5.4
441.43384	1.5
459.38141	1.6
482.39999	8.0
500.34143	9.2
500.41013	100.0
501.78110	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40733	10.9
67.05492	12.4
69.07071	19.7
70.47305	31.8
70.47667	15.7
71.88838	13.0
79.05482	16.7
81.07048	28.3
91.05483	14.8
93.07036	21.3
95.08627	77.2
104.68960	15.2
105.07033	44.9
107.08588	40.0
109.10160	26.0
111.08087	17.2
117.07024	12.2
119.08573	73.1
121.10162	37.1
122.38465	11.9
131.08551	13.4
133.10129	73.9
135.11684	39.6
145.10086	33.3
147.11690	45.0
149.13255	19.9
159.11647	19.8
161.13217	26.8
163.14749	13.4
164.93053	10.4
173.13327	14.5
175.14810	18.2
177.09149	14.3
189.16360	63.7
191.17924	22.6
201.16408	34.8
203.17941	100.0
207.17441	52.8
215.18022	18.6
221.19014	20.0
235.16902	20.9
247.16975	98.5
391.33536	15.6
432.30991	13.9
437.34357	65.1
455.35562	62.3
500.34109	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	500.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02858	13.3
57.07047	14.6
58.06593	12.6
60.27912	13.0
67.05492	16.0
69.07077	18.8
71.59185	15.4
79.05504	13.2
81.07055	41.1
85.02892	15.7
93.07044	34.0
95.08618	100.0
97.10168	11.9
105.07020	27.7
107.08601	59.4
109.10154	50.2
119.08575	68.6
121.10143	50.5
123.11648	18.4
131.08568	13.3
133.10124	57.4
135.11725	32.8
141.98851	13.5
145.10149	35.7
147.11693	36.3
149.13188	15.3
159.11674	39.3
161.13289	20.6
163.14864	22.9
173.13260	20.6
175.14848	20.9
187.14850	20.3
189.16422	20.2
191.17949	70.3
193.37628	11.3
201.16406	16.1
203.17995	22.2
215.17967	32.1
231.20996	16.0
233.18967	36.0
265.76077	13.1
270.75281	14.1
341.24731	12.0
384.77206	11.5
393.72699	11.2
411.36359	34.5
417.40652	12.7
423.36462	55.7
437.34482	17.7
441.37354	53.9
459.38434	40.2
474.68610	13.9
500.33994	16.8
519.17328	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	501.1374
Annotation	Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate
Peak:m/z	Relative Intensity
52.22773	1.3
53.03222	1.4
58.17454	1.7
58.44404	1.1
61.02913	1.3
71.56573	1.7
72.43415	1.4
72.87530	1.3
88.75660	1.2
97.02898	2.2
98.97610	3.5
119.01878	2.1
121.29057	1.3
137.06007	2.1
143.01968	1.7
147.19923	1.3
175.04512	1.5
183.05115	1.5
201.06183	1.4
221.05077	2.2
223.06654	2.8
245.05124	2.2
259.06561	1.6
273.08331	5.2
291.09351	3.1
319.01074	4.1
319.04868	1.7
319.08847	4.6
337.09723	2.6
367.11160	2.2
409.23840	1.5
501.13736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	11.2
68.05017	2.9
69.03433	3.4
71.04984	3.7
76.63849	1.7
78.23037	1.7
84.96017	4.9
85.02896	9.1
91.05483	2.3
97.02896	3.3
98.97581	27.8
110.97577	11.8
114.05534	11.7
115.05900	2.5
116.98651	8.7
121.06483	7.6
127.03973	2.0
128.98610	9.0
131.00256	1.8
143.00122	2.1
144.98039	3.1
145.02844	2.4
146.99680	1.9
147.04411	8.2
158.99670	5.0
163.00676	2.1
163.03915	10.1
170.99712	4.1
177.00719	3.8
179.00165	4.2
181.01714	2.5
193.01711	3.5
195.03282	4.5
197.01230	4.5
201.00732	2.6
201.05927	3.2
211.02798	7.7
213.04306	3.2
219.01791	17.8
229.03844	7.7
237.02676	15.4
253.03799	5.1
271.04916	4.7
339.07559	12.4
351.12189	3.0
355.07025	31.0
357.08643	10.6
373.08063	31.6
501.13553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1582
Annotation	KN-93
Peak:m/z	Relative Intensity
51.73191	0.6
56.96568	1.3
57.03435	1.1
69.03431	1.5
71.55846	1.1
81.03410	0.9
81.07067	0.8
85.02905	2.7
91.05511	0.7
91.68139	0.6
92.48906	0.6
97.02908	1.5
98.97585	2.4
114.05578	1.7
116.98676	1.1
119.04920	1.1
121.06497	4.2
127.03961	1.1
128.98601	1.2
137.06017	1.1
143.00194	0.7
147.04434	4.6
155.03171	1.5
155.38959	0.8
158.99777	0.9
161.05795	1.9
163.03981	1.8
171.06335	2.5
187.05850	1.9
205.06895	2.2
219.01872	2.3
237.02913	2.1
291.08408	4.6
339.07901	2.0
343.10489	0.9
355.07068	1.7
357.08981	1.3
373.07803	1.1
393.11786	1.2
483.14899	2.5
501.15887	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	501.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03959	2.7
55.01861	1.8
57.03434	2.8
61.02933	3.0
62.00035	0.6
62.73172	0.5
67.39864	0.5
69.03077	0.8
69.03432	10.9
70.55694	1.3
71.04972	1.1
73.02897	1.6
77.03904	1.1
79.05488	3.7
81.03418	4.4
85.02912	23.3
87.04463	2.0
91.03954	1.7
91.05492	3.4
93.03830	0.5
95.04962	1.7
97.02902	9.3
99.04453	2.0
103.05492	3.9
105.03386	2.0
105.04449	0.6
105.07033	3.0
107.04941	0.8
109.02864	2.6
115.05473	3.3
116.12383	0.5
117.07057	0.8
119.04932	1.0
119.08591	2.4
121.06493	0.9
123.11669	0.7
127.03960	4.2
128.06239	1.2
129.07024	0.9
131.04939	4.1
132.05713	2.8
133.06500	2.1
135.04424	100.0
137.05984	2.2
141.06963	1.2
143.04982	0.9
145.05005	2.9
145.06496	0.8
147.04431	2.2
147.08041	3.1
159.04440	5.1
159.08032	1.8
160.05215	1.9
161.05997	13.2
165.05537	1.2
166.05089	0.6
171.08139	0.7
175.07561	45.7
177.05482	1.8
184.05287	1.0
185.06091	0.7
187.07553	5.6
189.07083	1.0
190.07784	2.0
191.08572	9.0
199.07547	5.4
201.09154	0.9
202.07765	5.6
203.08571	13.7
204.09270	0.8
205.06555	0.7
207.06551	1.2
215.08665	0.9
218.07303	1.2
219.08070	13.0
220.08783	2.2
231.08067	14.5
232.08830	2.5
235.07484	0.8
247.07553	3.9
248.08267	3.1
249.09103	11.7
251.10771	1.9
258.06799	0.6
259.07550	9.5
260.08307	2.7
261.09171	4.6
263.07391	1.0
263.10715	3.5
264.07849	0.8
265.08713	0.7
275.07181	0.8
276.07870	1.4
277.08624	12.8
278.09421	1.0
279.10199	2.0
288.07883	0.8
289.08594	10.6
289.11533	0.8
290.09448	4.5
291.10089	6.4
293.08331	0.9
293.11780	1.5
294.08954	1.2
301.08771	0.6
306.08981	3.0
309.11227	30.8
310.11612	0.6
313.08627	0.8
321.11215	33.8
323.12726	1.3
337.24875	0.6
339.12393	1.8
501.18707	1.0
501.29944	1.3
505.96451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02999	2.0
55.05507	0.5
57.03433	0.3
67.05506	0.3
69.03407	0.3
69.60583	0.2
70.06255	0.4
70.06601	5.0
70.71411	0.3
70.71729	0.5
71.04991	0.6
72.05634	0.4
72.08159	23.1
74.02460	0.3
81.07098	0.3
84.08147	3.0
85.02899	0.4
89.44824	0.3
91.05479	0.6
93.07053	0.6
95.08594	0.5
97.07659	13.2
98.09675	0.3
98.21084	0.4
101.79845	0.2
103.05503	0.3
105.07018	0.4
107.08570	0.5
112.07606	0.6
112.08741	0.5
113.17309	0.2
114.10297	100.0
115.10702	0.3
116.07113	1.1
119.08647	0.4
121.06519	2.1
122.06850	0.3
128.10730	1.3
133.10153	0.3
137.05965	0.8
145.10115	0.5
147.04434	0.6
158.08141	1.1
158.09302	0.3
163.03894	0.5
164.07085	1.0
164.43199	0.3
165.05539	0.3
176.07109	0.3
189.77582	0.3
204.06277	0.3
222.07607	0.4
236.09129	0.3
240.36041	0.3
276.08334	0.3
277.16644	5.0
321.14603	3.6
334.86996	0.3
339.13614	1.8
427.18768	0.7
479.43304	0.3
483.18036	0.6
501.23123	2.6
501.30408	2.3
517.74890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63761	0.3
55.05513	0.4
67.05512	0.6
67.12228	0.3
69.07071	0.6
69.51917	0.8
69.52342	1.1
72.08127	0.3
79.05486	0.6
81.07068	0.5
84.08148	1.3
90.71940	0.3
93.07036	0.5
95.04985	0.3
95.08611	0.5
105.07051	0.6
121.06516	0.6
128.10739	1.3
128.11827	0.7
134.37660	0.3
145.10208	0.3
158.39299	0.3
159.11705	0.3
203.03342	0.3
262.05551	0.3
305.11224	0.3
329.17377	0.4
445.25674	1.2
483.26999	0.3
501.28244	100.0
502.28705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3216
Annotation	22alpha-Hydroxychiisanogenin
Peak:m/z	Relative Intensity
50.07306	1.8
52.55029	1.8
52.65891	2.1
55.05511	4.1
67.05492	7.0
69.07059	5.0
71.58895	3.2
79.05493	8.6
81.07063	11.8
83.04975	2.1
83.08624	2.5
91.05471	7.8
93.07049	18.2
95.04966	3.5
95.08615	19.4
97.06540	2.5
101.56110	2.1
103.05434	2.1
105.07031	24.0
107.05008	1.9
107.08602	20.3
109.06538	5.1
109.10137	11.2
111.08131	2.3
117.07021	3.1
119.08586	34.2
121.06566	2.5
121.10148	28.6
123.08075	3.1
123.11720	3.9
125.09624	2.0
129.06978	3.6
131.08585	12.0
133.06512	3.0
133.10149	17.3
135.08084	5.3
135.11734	10.3
137.09563	2.4
137.13257	2.8
143.08572	6.4
145.10121	14.4
147.08037	8.1
147.11705	16.0
149.09647	2.6
149.13251	5.4
153.09137	2.5
155.08559	2.9
156.09331	2.7
157.10127	9.2
159.08095	6.0
159.11687	25.7
161.09576	5.6
161.13232	15.5
163.11201	4.3
163.14864	4.5
169.10217	3.7
170.10956	3.4
171.11671	10.0
173.09625	2.6
173.13289	12.0
174.69177	2.0
175.11269	5.7
175.14835	18.3
177.12715	3.4
177.16393	2.8
183.11716	6.7
185.09636	4.4
185.13292	8.3
187.07654	3.8
187.11157	10.8
187.14879	9.2
189.09111	2.6
189.12714	6.8
189.16385	10.4
191.14285	2.9
195.11581	3.4
197.09637	2.2
197.13312	5.4
199.14812	4.8
201.09416	2.1
201.12820	10.7
201.16356	5.6
203.14323	7.6
203.17784	2.3
205.12364	2.3
211.11154	2.7
211.14786	4.4
213.16423	3.2
215.14355	4.5
217.15923	4.8
225.16328	3.7
227.17940	2.9
229.12253	13.3
231.13808	4.6
237.16510	3.2
239.17921	3.0
261.71085	2.0
273.62140	1.8
279.17245	2.0
289.18039	8.1
359.27179	2.7
377.28381	3.6
405.27829	7.1
419.29553	5.7
423.29001	48.5
437.30319	10.7
439.28326	11.6
441.29810	2.5
455.31546	7.2
465.30045	63.3
483.31107	100.0
484.31638	3.2
501.32089	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	501.355
Annotation	Morinin K
Peak:m/z	Relative Intensity
50.43154	0.7
58.02647	0.8
71.59280	1.1
72.86462	0.8
90.26613	0.8
115.31135	0.7
130.41090	0.7
147.04398	1.7
149.27490	0.9
152.61314	0.7
181.82344	0.7
207.06308	2.1
219.06305	3.4
226.91724	0.8
296.15646	0.8
457.36499	1.3
463.01276	0.8
501.35809	100.0
502.35898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.8
60.09539	0.5
69.03351	2.1
70.13519	2.9
87.04382	51.6
87.04955	3.5
91.05407	2.1
97.02888	4.5
98.37426	0.6
98.97504	1.3
108.38049	0.6
111.70096	0.6
116.04878	1.1
117.05767	2.9
118.06546	5.0
120.04435	0.7
120.08051	1.4
121.06438	1.1
123.05524	0.7
127.03820	0.7
132.07983	1.8
134.09547	0.7
136.06116	2.5
144.03436	0.9
144.04459	13.3
145.04906	1.0
146.06013	19.1
147.04335	1.4
162.05510	5.9
163.03952	3.0
172.03960	5.6
176.07089	18.7
178.08647	59.0
183.06454	0.6
190.04987	4.2
202.06973	1.1
204.04691	1.2
204.06569	17.8
210.11263	4.8
212.25102	0.7
219.01738	0.9
222.07645	10.1
236.09161	0.8
237.02548	1.0
248.09174	1.9
252.91928	1.1
258.07559	0.6
262.10742	9.0
264.12350	15.3
276.08627	2.7
290.10275	13.5
296.14886	6.4
308.11304	37.1
322.12997	2.7
340.13947	82.1
350.12466	1.0
380.13486	1.7
410.14581	1.1
412.16071	1.2
432.14716	0.7
442.17249	1.9
452.14618	0.7
470.16458	5.0
483.99399	0.7
502.19333	100.0
503.19830	1.1
527.62897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05516	1.3
57.03436	0.6
59.05007	2.9
65.03937	0.3
67.05492	0.7
69.03419	0.6
69.42818	1.3
69.43237	0.8
73.06555	0.7
75.00378	0.4
81.03392	0.4
83.66386	0.2
85.02901	0.8
85.06524	0.8
91.05486	2.2
92.04989	0.6
93.07050	2.4
95.04951	0.6
95.08621	0.4
97.02913	0.4
102.05573	0.3
103.05453	2.3
105.04503	0.4
105.07018	0.3
106.69802	0.3
107.00303	0.3
107.07323	0.8
107.08553	0.3
108.08096	0.8
118.06530	0.3
119.04993	0.3
120.04465	1.5
121.06512	15.6
127.03879	0.3
131.04886	0.3
131.08591	0.3
136.07597	0.6
137.05975	2.5
138.05524	0.5
145.10115	0.4
146.29774	0.3
148.03920	2.4
151.06322	2.3
152.07089	4.4
159.11717	0.5
161.06015	0.5
161.13182	0.3
162.05403	0.3
164.07051	0.8
166.05016	5.8
167.07140	0.4
175.07576	0.8
178.08687	0.5
180.06560	68.7
181.06848	0.5
194.08160	0.8
201.16391	1.0
208.06024	0.3
222.07655	2.1
246.10886	0.3
263.11230	0.3
264.12317	1.1
266.10242	6.1
279.10977	0.3
280.11807	65.5
281.12012	0.5
294.13501	0.6
306.13327	2.6
308.11273	3.8
311.12775	0.4
322.12857	100.0
323.13086	1.1
382.15149	0.3
386.15842	1.2
428.17072	13.3
442.19305	0.3
460.19705	0.8
502.20114	0.8
502.31747	0.6
515.45813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05505	1.1
57.03431	0.5
59.04743	0.3
59.05005	3.7
62.92365	0.2
69.44509	0.6
69.44935	1.0
73.06541	0.7
74.15870	0.2
82.06602	0.2
83.04996	0.4
91.05484	1.8
93.07047	2.3
95.04964	0.5
97.02862	0.3
98.21455	0.5
103.05475	1.5
105.04520	0.2
107.07336	0.9
107.08598	0.3
108.08101	0.8
109.10198	0.3
119.08606	0.2
120.04455	1.3
121.06513	14.1
133.10107	0.2
136.07561	0.7
137.05946	0.2
138.05489	0.5
146.06096	0.5
148.03915	2.2
150.05524	0.2
151.06282	1.9
152.07063	4.3
162.05536	0.3
164.07083	0.6
166.05005	5.6
178.08615	0.6
180.06564	66.7
182.78265	0.2
187.11305	0.2
190.05026	0.3
194.08151	0.9
208.06042	0.3
222.07640	2.4
264.12350	0.6
266.07361	0.3
266.10236	6.9
280.11807	65.1
281.12103	0.6
294.13419	0.8
308.11316	4.1
322.12857	100.0
323.13126	0.9
386.16052	1.1
428.17078	13.0
449.58395	0.2
460.19495	0.9
502.20578	0.8
502.32089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.3
53.84756	4.1
55.01868	12.9
55.05506	16.9
57.07087	4.9
58.06599	10.6
67.05510	93.9
68.32304	4.3
69.07069	25.4
70.65820	10.2
70.66158	9.0
71.04994	13.9
71.08633	6.6
79.05492	71.4
81.07056	82.2
83.01337	13.6
83.08633	11.2
85.06532	6.2
91.05480	36.6
93.07053	100.0
95.04993	7.7
95.08038	8.5
95.08609	81.8
97.06537	5.9
105.07024	29.3
105.86951	5.1
107.08607	42.6
109.10164	34.9
117.07002	14.3
119.08614	24.4
121.10168	43.6
123.11723	13.0
129.01851	11.8
131.08588	21.5
133.10107	15.9
135.11693	27.2
143.03400	7.8
145.10106	19.4
147.11696	14.8
149.13272	14.9
155.03401	7.9
157.01337	11.5
159.11703	12.6
161.04414	6.7
161.13338	6.0
163.08592	4.6
163.14786	5.9
171.02962	5.8
173.13255	14.5
175.14906	9.7
177.12750	6.0
187.14803	6.7
189.03979	14.1
195.00352	8.7
243.21027	25.3
261.22159	93.3
279.23245	6.4
294.49579	5.1
314.39893	4.5
376.21179	5.0
400.04474	5.3
407.72937	5.6
449.25394	97.9
467.26419	41.6
502.36505	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	502.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99977	1.0
55.05516	7.0
57.03440	13.1
57.07082	23.7
59.04992	4.3
60.85001	0.9
65.03941	1.7
67.05507	70.9
69.07082	4.7
69.52776	2.3
69.53174	3.6
71.04993	2.1
71.08281	1.7
71.08636	19.9
79.05492	1.2
81.07056	15.5
83.08627	10.1
85.06548	2.3
85.10186	10.3
89.06041	2.1
91.05469	4.0
93.07031	3.6
95.08076	1.2
95.08623	15.7
97.10149	1.8
98.21477	2.0
107.08555	2.1
109.10159	66.2
111.08082	2.7
119.08575	5.5
123.11694	2.4
137.09605	2.6
155.10675	3.4
173.11745	18.6
206.99121	1.0
229.14363	100.0
239.23659	1.4
313.27374	92.9
467.37344	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	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11121	0.8
55.01871	1.2
56.61137	0.7
57.03418	1.0
58.72693	0.8
59.05017	0.9
61.02916	2.1
64.32556	0.8
65.03912	1.1
66.71754	0.7
67.05511	1.3
69.03117	0.9
69.03436	7.7
69.60993	3.6
69.61404	1.7
79.05499	1.7
81.03422	2.6
81.07057	2.9
84.08132	0.8
85.02911	13.8
87.04472	2.7
89.03931	1.1
91.05495	5.9
93.07033	0.8
94.04187	2.7
95.04975	1.2
95.08612	1.8
95.15977	0.9
97.02910	4.2
99.04476	1.0
103.05479	3.0
104.06217	0.9
105.07047	4.5
107.04958	2.2
107.08603	1.5
109.02872	1.9
109.06533	3.2
109.10174	1.0
110.35953	0.8
110.79859	0.7
113.50013	0.7
115.05457	3.7
117.07043	2.0
119.04977	2.3
119.08603	4.0
120.05713	0.8
121.06501	1.5
121.10148	0.8
122.03645	8.3
127.03950	3.6
128.06252	1.9
129.07048	1.4
131.04948	3.9
132.05746	2.4
133.02855	1.0
133.06488	3.1
133.10065	1.3
137.05980	100.0
145.02895	1.3
145.04971	1.8
145.06480	2.3
145.10124	1.1
146.03639	0.9
147.04439	1.9
147.08043	2.4
149.06012	2.0
151.07562	1.8
159.08066	1.2
159.11740	1.3
160.05237	1.8
161.05975	12.5
161.13255	1.0
163.04013	1.8
163.07538	6.0
165.05565	1.0
167.07100	1.6
169.06480	1.3
171.08141	1.4
172.05232	1.4
173.13333	1.0
175.04167	1.3
175.06029	2.0
175.07556	33.6
177.05539	0.8
180.06567	4.9
184.05244	1.6
187.07562	6.3
189.05605	0.8
189.07153	1.2
189.09102	0.9
190.07797	1.5
191.08580	5.3
199.07547	13.5
201.05466	2.3
201.08934	1.0
202.07648	4.0
203.08604	6.2
215.14389	1.0
217.08627	0.9
218.07234	1.1
219.08095	6.4
220.08920	1.4
231.08089	6.2
232.08656	1.5
233.09509	1.0
235.07497	1.2
236.08374	1.7
247.07568	4.1
248.08347	3.2
249.09030	0.8
251.10721	9.2
259.07614	4.4
260.08438	1.6
261.09161	1.3
263.10788	4.6
264.07922	1.3
265.08719	1.5
266.10236	2.7
276.07880	2.4
277.08566	4.1
279.10114	8.6
281.08170	1.2
291.10126	10.3
292.11002	3.1
295.13297	3.4
296.10657	0.9
306.13797	1.1
308.11285	7.3
309.11063	0.8
311.12781	18.5
311.16156	1.2
320.81961	1.0
323.09274	0.8
323.12741	19.6
325.14267	1.2
341.13904	1.3
376.70389	0.9
430.15100	1.1
457.33554	1.6
503.18954	37.8
503.33069	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01864	3.7
57.03434	2.8
61.02938	6.7
64.41052	1.4
69.03438	18.2
69.28379	13.0
71.05002	2.5
73.02916	1.8
74.88653	1.3
79.05501	2.4
81.03428	7.1
81.03815	1.4
85.02431	2.4
85.02905	43.5
87.04478	3.3
91.05478	7.2
93.07045	1.7
95.04919	1.9
97.02368	1.6
97.02910	16.1
98.97590	6.8
99.04434	2.0
101.55922	1.3
103.05472	28.6
105.07029	12.4
109.02860	3.8
115.05450	5.4
116.98602	2.1
119.04925	4.1
119.08594	3.0
121.10123	2.9
122.03657	6.6
126.58479	1.5
127.03909	6.8
129.07010	3.9
131.04930	62.7
132.05666	2.0
133.06520	7.4
137.05983	100.0
145.04962	2.8
145.06502	2.1
147.04401	5.6
147.08029	2.9
149.05977	3.3
151.03911	10.8
151.07564	4.7
158.07220	1.4
159.08057	3.4
160.05255	2.5
161.05986	27.7
163.07558	70.4
165.17365	1.4
171.08067	1.5
172.05200	4.6
175.07555	36.0
177.05614	1.9
179.07018	8.5
187.07568	20.8
189.09109	4.5
191.08569	4.9
197.07974	2.3
199.07576	6.0
201.09187	1.8
202.07768	1.9
203.08549	3.5
217.08588	10.7
218.07283	1.8
219.08112	7.1
227.02370	3.1
231.08003	4.4
236.08548	2.2
247.07513	2.6
248.08357	2.2
249.09245	1.8
251.10767	11.1
259.07385	2.4
263.10745	3.5
265.08585	2.7
277.08557	2.2
279.10248	9.1
289.05350	1.6
291.10217	8.5
296.10196	2.1
299.04327	2.2
308.10495	1.6
311.12775	27.4
316.04575	1.6
319.12042	1.4
323.04507	6.6
323.12872	13.0
325.14380	2.7
341.05713	2.3
341.13797	11.3
347.73315	1.5
349.07211	1.8
350.72784	1.5
353.13965	1.6
475.14633	2.5
503.13712	14.3
503.20648	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80166	0.4
66.04732	0.7
69.03429	1.4
69.98180	1.1
69.98573	1.3
75.60748	0.5
79.05502	1.9
81.07059	1.2
85.02903	4.9
88.82951	0.5
91.05483	3.0
94.04215	2.5
97.02892	1.7
103.05470	1.7
105.07053	5.0
107.04964	0.8
109.06516	1.7
115.05434	3.1
115.43741	0.5
117.07041	0.9
118.04201	0.5
119.08591	1.0
122.03661	7.4
127.03892	0.7
128.06242	2.0
129.06995	1.9
131.04926	1.5
132.05711	2.1
133.06483	3.8
137.05983	100.0
144.05710	0.8
145.06499	0.7
147.04420	0.7
147.08049	3.0
149.05965	1.7
155.04814	0.9
159.08049	1.9
160.05205	1.5
161.05994	13.6
163.07622	0.6
171.08029	1.4
171.25986	0.5
172.05161	0.7
175.07556	25.0
179.07072	1.5
184.05302	1.1
187.07558	9.9
189.06989	0.7
190.07784	2.4
191.08569	6.0
199.07549	7.0
202.07793	2.7
203.08575	4.7
208.08832	0.9
209.52002	0.6
217.08609	1.0
218.07297	1.7
219.08051	10.6
220.08871	2.1
231.08064	5.2
232.08861	1.1
235.07658	0.8
236.08348	2.0
237.09163	1.1
247.07562	4.2
248.08301	1.5
249.09323	0.7
251.10692	10.7
259.07599	2.8
260.08493	1.0
261.09064	1.3
263.10733	2.5
264.07776	1.1
265.08347	1.2
276.07806	0.7
277.08624	1.4
279.10184	10.9
280.83923	0.5
291.10141	7.9
292.11035	1.4
295.13379	0.8
296.10617	1.0
311.12790	31.2
323.08823	0.8
323.12775	16.8
324.13080	0.6
341.13766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	7.5
69.50918	1.8
69.51332	4.5
69.75118	0.9
73.02904	1.0
79.05482	1.4
81.03413	1.2
85.02911	16.8
88.36768	0.8
91.03924	1.1
91.05470	3.6
94.04197	2.2
97.02905	5.0
99.04498	1.0
103.05483	2.1
105.07040	2.8
105.99947	0.9
107.05001	1.2
109.02856	1.4
109.06531	2.0
109.90481	0.8
114.34561	0.9
115.05431	1.8
117.07008	1.2
119.08582	2.3
122.03684	6.2
122.04427	1.2
127.03928	2.1
128.06213	1.0
129.07018	1.7
131.04941	5.3
132.05687	1.4
133.06479	1.7
137.05983	100.0
138.06261	0.8
145.04948	2.3
147.08064	1.6
149.05972	1.0
159.08070	1.4
160.05254	2.1
161.05992	11.1
163.07527	8.8
169.06519	1.8
175.07559	41.6
187.07590	6.2
190.07809	1.3
191.08574	3.9
199.07539	14.9
201.09087	1.3
202.07843	2.8
203.08585	5.1
205.06496	0.9
218.07417	1.1
219.08084	5.8
220.08844	1.3
231.08099	7.4
232.08749	1.3
247.07530	3.2
248.08337	3.5
251.10651	8.0
259.07697	5.6
260.08377	1.8
261.09247	0.9
263.10675	4.4
264.07828	1.2
276.07849	2.0
277.08603	3.8
279.10165	7.9
291.10129	13.5
292.10907	4.5
293.08163	1.2
295.13165	2.5
308.10361	1.7
311.12796	26.1
323.12784	22.8
325.14362	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01877	0.8
57.03448	1.9
58.58160	0.6
59.17941	0.6
61.02923	1.9
67.05509	0.9
69.03437	5.2
69.07094	0.8
70.56950	1.7
71.04989	1.4
73.02932	1.1
79.05499	2.6
79.53741	0.6
81.03425	2.5
81.07062	1.8
85.02908	12.9
85.06576	0.5
87.04455	1.4
89.03944	0.6
91.05490	5.3
93.07025	1.1
94.04200	3.5
95.04973	0.8
95.08627	1.4
97.02886	4.5
99.04443	0.6
99.08068	0.7
103.05462	4.3
105.07024	4.6
107.04930	1.9
107.08624	0.7
109.02889	1.8
109.06527	2.7
109.10197	0.8
115.05446	3.2
117.07032	1.4
117.20251	0.5
119.04959	1.1
119.08588	3.0
121.06529	2.6
121.10168	0.8
122.03662	6.9
127.03929	1.8
128.06203	1.5
129.06978	1.9
131.04936	6.2
131.08601	1.1
132.05722	2.3
133.06494	2.3
135.04443	0.7
137.05983	100.0
138.06250	0.7
141.07005	0.9
145.04967	1.7
145.06485	1.5
145.10126	1.1
146.03641	1.3
147.04401	1.7
147.08073	3.8
149.05983	2.6
151.07507	1.0
155.04939	1.0
156.05728	0.9
157.06557	0.7
159.08076	1.7
159.11732	0.6
160.05206	1.7
161.05995	13.1
163.07549	7.2
167.07053	2.0
168.05788	0.5
169.06483	0.9
171.08092	0.9
172.05226	0.6
173.13173	0.7
174.06740	0.8
175.07558	32.3
177.05452	1.3
179.07101	1.3
180.06523	1.8
184.05171	1.7
187.07538	7.0
189.09120	0.8
190.07767	1.4
191.08629	3.1
191.14363	0.7
192.09435	0.6
199.07545	13.5
201.05484	0.9
201.09038	1.3
202.07782	2.7
203.08585	5.9
205.06546	0.9
205.15758	0.7
208.08784	0.8
217.08612	1.0
218.07349	1.1
219.08110	6.4
219.13780	0.7
220.08740	2.0
223.16861	1.3
225.09082	0.8
231.08099	7.0
232.08792	1.9
233.06097	0.6
233.09599	0.7
235.07503	0.9
235.11148	1.0
236.08406	0.8
245.09544	0.7
247.07521	2.8
248.08331	3.1
249.08922	0.9
251.10649	9.8
259.07587	4.2
260.08331	1.8
261.09097	1.3
263.06866	0.5
263.10681	4.7
264.07773	1.5
265.08661	1.2
276.07834	3.0
277.08466	3.0
279.10205	8.6
291.10199	10.3
292.10846	3.7
293.08142	1.2
295.09921	0.8
295.13272	2.4
297.24469	0.6
306.13193	0.7
307.13589	1.9
308.10632	2.1
311.09143	1.0
311.12766	18.5
316.99728	0.7
323.12802	19.6
325.14255	2.1
335.12662	1.4
457.32864	2.0
485.19437	0.9
503.19849	1.7
503.31631	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01862	2.1
57.03430	1.7
61.02924	2.8
69.03431	9.0
70.06583	1.1
71.04986	1.7
71.57396	0.7
71.73569	0.7
79.05495	1.9
81.03417	3.5
81.07053	1.2
85.02914	24.3
86.09707	7.9
87.04465	1.0
87.81944	0.9
91.05473	3.5
94.04168	2.5
97.02889	8.8
98.20958	0.9
99.04454	1.8
102.05555	1.4
103.05451	2.4
105.07073	1.9
107.04944	1.3
109.02882	2.8
109.06513	2.2
115.05446	1.8
119.04915	1.2
119.08585	0.9
122.03650	6.1
123.04339	0.7
125.43012	0.8
127.03931	4.3
128.06227	1.1
129.07010	3.7
131.04916	4.2
133.06433	1.0
137.05984	100.0
137.35315	0.8
141.07072	1.1
144.05708	1.1
145.02919	1.4
145.04959	3.1
147.04358	1.2
147.56087	0.8
149.05978	2.0
151.03871	1.6
151.07544	7.9
157.06506	1.8
158.07248	0.9
160.05223	1.4
161.06012	5.2
163.07536	4.9
169.06468	1.1
171.08038	1.1
172.05190	3.2
174.06812	4.2
175.07550	10.0
177.05484	2.9
179.06947	0.9
186.06758	1.0
187.07552	21.7
189.09111	7.7
191.08559	2.6
199.07535	4.8
199.18007	1.2
201.09114	9.1
203.08574	4.3
217.08598	9.9
218.07187	0.9
219.08026	5.8
220.08832	2.2
221.06024	1.1
231.08095	5.5
232.08807	1.8
233.09601	1.8
235.07625	1.3
236.08237	1.0
247.07587	4.3
248.08276	4.7
249.09203	1.3
251.10699	5.4
253.08591	1.7
259.07535	2.9
260.08200	1.2
261.09277	2.0
263.10687	6.3
264.07846	2.2
265.08575	2.3
271.09607	3.2
276.07791	3.5
277.08502	1.5
279.10196	7.3
280.10953	1.5
281.08255	1.2
283.09595	1.8
291.10156	14.1
292.11166	1.2
293.08096	1.4
293.11777	1.1
296.10446	3.9
297.11154	1.1
308.10513	1.9
311.12775	17.9
323.12790	20.7
325.14264	9.4
341.13846	24.8
473.05722	0.9
503.20660	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2099
Annotation	LY223982
Peak:m/z	Relative Intensity
56.05009	0.3
69.07057	1.0
69.98054	0.8
81.05241	0.2
84.07687	0.4
84.08153	4.5
85.02908	0.5
85.28331	0.3
86.09209	0.6
86.09711	8.1
91.05481	0.7
93.07032	0.4
95.04947	0.3
98.97551	0.4
101.94390	0.3
103.05454	0.9
121.06512	2.5
130.08672	1.3
131.04962	0.7
136.84312	0.2
137.06012	1.0
139.43872	0.2
144.04489	0.3
146.06013	0.5
163.07507	0.5
176.07004	0.3
178.08658	1.8
204.06578	0.6
206.08307	0.3
209.11549	0.4
222.07593	2.6
240.32170	0.3
275.07443	1.0
307.16425	0.4
317.08447	0.5
335.09650	1.0
351.15604	0.5
371.16754	5.0
374.15936	2.5
459.24802	0.8
503.20972	100.0
504.21503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45007	0.3
53.00103	0.3
56.84717	0.3
64.85926	0.2
69.03402	0.4
70.06586	0.7
70.12482	0.7
70.12880	0.4
71.04987	0.4
72.08171	0.4
76.93388	0.2
84.08150	1.9
84.09596	0.3
85.02901	1.1
85.08475	0.3
86.09730	0.3
89.01047	0.3
97.00726	0.3
97.02916	0.4
112.11246	0.7
114.10309	1.0
118.65382	0.3
121.06551	0.5
128.10735	0.7
129.11081	0.3
130.12276	0.4
132.56076	0.2
135.04440	0.3
137.06017	1.0
163.03911	3.4
191.10481	0.3
191.99805	0.3
208.04361	0.8
209.11555	0.9
254.04665	0.3
275.07330	0.4
291.10245	0.3
324.17706	0.3
325.09286	0.8
333.07950	3.1
335.09491	6.8
341.08112	1.0
371.16782	2.1
503.21036	100.0
504.21445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71921	0.3
53.03937	0.9
56.05040	4.1
57.07073	0.9
64.51041	0.3
65.91494	0.3
66.91847	0.3
67.05509	3.9
71.30350	0.6
80.92595	0.3
84.08147	100.0
85.06544	2.9
86.09713	3.4
91.05489	4.2
93.07043	4.5
95.04964	0.9
103.05467	4.3
110.46101	0.3
118.06555	1.1
121.06512	22.0
130.08650	17.6
144.04491	2.3
146.06013	6.4
162.05547	1.3
172.04010	1.1
176.07053	4.2
176.08463	0.3
178.08643	24.3
190.05045	0.8
204.06581	4.8
210.11263	1.6
222.07628	17.9
235.42322	0.3
236.09277	0.8
251.70509	0.4
260.12912	0.7
262.14362	2.1
288.12610	0.7
294.17059	0.3
306.13409	4.2
306.16812	0.3
307.16531	1.7
320.15079	0.4
330.49673	0.3
335.09494	0.4
339.19485	0.4
351.15540	9.6
365.17188	0.9
371.16861	0.4
374.11249	0.7
374.15982	13.0
375.16766	0.3
458.21436	2.2
471.21405	2.5
503.24063	87.3
504.24292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.249
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
50.42969	3.1
53.52385	2.6
53.69095	2.7
67.05510	5.7
69.03432	12.9
69.07079	4.1
69.25872	15.2
69.26299	13.0
71.04998	4.7
79.05519	3.8
81.03403	5.5
81.07043	2.8
84.08144	6.0
85.02910	18.4
85.06542	6.1
91.05471	4.9
93.07043	6.9
95.08599	9.8
97.02930	5.1
97.06532	3.6
98.21445	6.2
99.08130	3.3
103.05453	3.8
105.07041	7.2
107.04981	4.6
107.08602	17.3
109.06535	8.4
109.10171	6.0
115.05439	3.5
117.03301	3.1
121.06516	11.8
121.10140	12.3
122.03668	5.5
125.09668	6.5
129.07024	3.7
131.04950	5.5
131.08574	5.4
133.10185	9.8
135.08075	11.0
137.05002	5.8
137.05989	81.8
137.09604	5.6
147.11681	5.9
149.09625	8.6
149.13281	13.9
151.07594	3.6
151.11191	49.3
161.06000	9.9
163.14832	6.4
165.12784	4.8
173.13264	8.2
175.07526	18.6
187.07574	11.4
191.14310	47.7
199.07529	8.5
203.08522	6.7
207.73329	2.9
209.15390	100.0
217.01936	2.8
217.08652	5.9
219.08083	3.7
231.08095	6.9
240.07829	3.2
247.07526	3.4
248.08273	3.9
251.10635	5.4
259.07721	5.1
263.10590	5.1
279.10248	6.5
291.10181	14.4
311.12741	15.3
323.12714	20.7
341.13882	10.8
503.21002	19.9
504.18542	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	503.2489
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
53.03939	1.8
56.64182	1.4
69.03419	7.0
71.11736	3.0
79.05496	1.5
81.03412	4.2
81.07044	1.4
85.02905	15.1
87.04459	8.3
91.05480	5.2
93.07051	4.1
95.04948	2.6
95.08587	2.8
97.02914	4.1
103.05457	2.4
105.07043	2.3
107.04990	1.4
107.08596	3.3
109.02942	2.0
109.06511	2.7
109.10159	1.7
119.08584	1.7
121.06509	14.3
121.10140	3.4
123.08042	2.7
123.11720	2.2
127.03936	3.0
130.05032	4.5
133.10066	1.7
135.08022	1.8
137.05969	19.5
137.09651	4.2
145.04959	3.5
145.73615	1.5
149.09686	3.1
149.13277	3.1
151.11174	22.4
161.05952	1.8
164.33728	1.6
165.12758	30.7
168.45062	1.4
175.07594	3.3
178.08659	2.3
191.14359	3.3
192.06593	2.1
193.15871	3.8
194.08156	6.1
209.15366	100.0
213.84160	1.3
222.07623	2.7
251.10796	1.4
280.08221	1.7
280.11487	1.5
291.10059	1.8
311.12756	5.0
324.11087	2.2
366.11877	4.9
372.87924	1.3
374.15945	3.5
435.03281	1.4
452.85620	1.5
503.20282	8.8
504.18616	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	503.2494
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.05510	1.6
56.76676	1.0
57.03443	33.6
61.02932	10.9
62.82031	0.9
64.09496	1.0
67.05505	2.7
69.03436	17.3
69.07069	7.6
70.90047	2.0
70.90393	1.6
71.01360	1.6
71.04998	1.6
73.02925	80.3
79.05470	2.8
81.03424	3.1
81.07065	4.8
83.08619	2.3
84.08143	3.2
85.02422	1.8
85.02911	24.1
87.04475	1.6
91.05482	3.7
93.07053	5.0
95.04998	7.8
95.08633	5.6
97.02901	21.6
97.06537	3.0
99.04456	1.0
105.07043	5.1
107.08617	5.3
109.02877	1.5
109.06519	3.4
109.10177	2.3
113.58735	1.0
115.03938	27.6
119.04960	1.9
119.08596	4.5
121.06544	10.1
121.10150	4.4
122.07333	1.5
123.08084	17.2
123.11757	1.7
127.03947	6.8
133.05006	7.0
133.10159	5.5
135.08058	28.5
135.11719	3.8
137.05965	4.4
137.09642	2.2
145.04973	7.9
145.10117	1.5
147.04411	7.0
147.08002	1.3
147.11690	3.3
149.09621	2.0
149.13293	2.6
163.06078	1.6
163.14845	1.6
164.06970	1.3
165.12767	20.4
171.06493	1.3
173.13278	1.5
175.14807	4.7
176.11974	4.0
191.14320	100.0
193.15883	16.4
205.15981	1.3
207.13849	2.0
209.15382	21.2
219.13953	1.2
220.06161	1.8
238.07135	2.9
257.36093	1.0
271.39828	1.1
272.11011	2.0
280.08173	1.4
282.09851	1.9
297.16962	1.2
316.15674	1.1
324.10831	3.6
341.19751	1.6
371.20581	5.6
457.33109	1.9
503.16769	2.8
503.24844	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	503.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.3
59.05003	1.7
60.12943	1.0
65.03984	1.3
66.04373	1.1
67.05531	6.1
67.76154	1.3
69.03448	1.9
69.07078	10.5
69.87022	1.2
70.06600	1.7
71.04997	2.1
71.56072	1.0
71.56458	2.2
72.08141	1.2
76.35296	1.1
79.05503	5.2
81.03408	1.7
81.07076	9.6
83.04960	3.0
84.08166	6.7
85.02901	2.9
86.09716	91.1
91.05489	12.2
93.07051	15.2
95.04985	3.2
95.08623	6.2
97.02875	1.6
103.05490	3.2
105.07047	13.1
107.08596	7.4
109.06525	5.9
109.10191	5.7
111.08074	3.6
112.11239	1.5
117.07008	1.9
118.06515	1.5
119.04928	1.4
119.08594	8.8
121.06525	17.4
121.10127	4.4
122.06873	2.5
123.11705	2.7
128.10738	5.2
131.08572	5.3
132.10223	26.9
133.06516	1.7
133.10147	17.2
135.11702	3.6
137.05978	1.6
139.67926	1.1
144.08087	4.1
145.10110	3.3
147.04437	3.4
147.08043	1.6
147.11703	15.6
149.09674	3.2
149.13235	2.6
151.07520	2.5
151.11200	36.0
157.10138	1.7
159.11656	3.0
161.13304	1.4
164.07150	1.4
165.12810	1.9
166.05069	2.5
173.13281	2.3
175.11186	4.4
175.14798	1.8
177.12764	1.5
180.06587	24.1
181.06938	10.3
187.14772	2.4
193.12207	4.3
205.15837	2.8
222.07657	1.8
223.17091	2.1
253.52382	1.3
260.20151	3.5
267.10529	2.2
271.06158	1.7
278.21140	20.2
280.11792	19.7
281.12143	19.9
306.20612	10.6
308.11404	1.5
309.11456	1.5
322.12845	21.6
323.09326	1.8
323.13184	36.5
324.21725	100.0
325.21957	2.1
429.17422	6.8
439.32126	2.8
457.33051	4.0
467.31961	1.8
485.32593	1.6
503.23392	4.5
503.33466	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3371
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
51.18144	0.5
53.03944	0.5
55.05518	2.4
62.74908	0.4
67.05502	3.4
69.07065	3.3
70.83324	1.2
79.05486	2.3
81.07062	6.1
83.04985	2.9
83.08621	1.8
85.06557	1.0
89.56114	0.5
90.44862	0.4
91.05463	3.3
93.07063	6.4
95.04976	0.8
95.08040	0.9
95.08609	10.7
97.06519	1.4
97.10199	0.7
105.07031	9.2
107.04919	0.6
107.08594	12.2
109.06529	2.2
109.10161	8.1
111.08076	2.0
117.07022	1.3
117.57790	0.5
119.08591	13.6
119.98490	0.5
121.06505	2.0
121.10152	10.2
123.08086	1.4
123.11714	2.7
129.06999	1.0
131.08559	5.0
133.06502	0.6
133.10138	10.3
135.08046	2.7
135.11697	6.3
137.05966	0.9
137.09607	1.3
137.13248	0.7
139.07487	0.9
142.07826	0.5
143.08569	4.5
145.06451	0.8
145.10135	7.1
147.08084	1.1
147.11694	5.0
149.09627	1.8
149.13275	3.6
151.11208	1.0
153.09114	1.0
155.08531	0.8
156.09370	0.6
157.10114	5.3
158.10938	1.7
159.08058	1.4
159.11694	5.2
161.09598	2.8
161.13269	3.7
163.07579	0.6
163.11232	1.6
163.14894	2.6
165.12807	0.6
169.10191	1.4
170.10899	1.2
171.08116	0.7
171.11710	4.2
173.09636	1.4
173.13277	11.9
175.11212	2.7
175.14838	8.3
177.12711	0.9
177.16377	1.3
177.17848	0.6
183.11720	1.7
185.09613	0.6
185.13275	4.8
187.11206	2.0
187.14832	6.1
189.12753	2.3
189.16365	5.8
191.10701	0.6
191.14333	3.5
191.17992	1.3
195.11786	0.9
197.13193	2.4
199.11192	1.1
199.14809	4.1
201.12833	1.6
201.16431	1.8
203.14316	4.6
203.17982	0.8
205.15889	2.1
207.11768	0.5
209.13274	0.8
211.11281	0.6
211.14793	1.4
213.12785	3.4
213.16437	2.2
215.14351	2.6
215.17961	1.0
217.15895	2.7
223.14906	2.0
225.16415	1.8
227.14363	1.1
227.17960	2.5
229.15897	1.8
229.19530	0.7
231.13866	4.6
231.17471	1.1
233.15480	1.1
237.16505	1.3
239.14465	0.7
239.18011	0.8
241.15770	0.7
241.19579	1.4
243.17477	1.4
245.19090	0.5
249.14905	1.3
251.18063	1.1
253.19498	1.0
255.17387	0.9
255.21214	0.7
265.19583	0.7
267.21011	0.7
269.19061	0.6
273.18546	0.9
279.21039	0.7
281.19162	1.0
281.22681	0.6
283.20486	0.7
289.17938	2.8
295.20477	0.8
299.20062	0.8
307.20636	0.7
323.23782	0.6
325.21777	0.6
337.21707	0.6
337.25394	0.7
355.22858	1.0
369.24460	0.8
370.25223	0.6
375.30597	0.8
383.25797	2.3
385.28741	0.8
393.31531	1.6
403.30127	3.5
411.24963	0.8
421.31042	4.8
423.28775	0.7
425.30658	0.6
429.26276	0.9
431.29480	1.0
437.30756	1.4
437.95663	0.6
439.32269	5.0
449.30542	7.5
457.33292	1.5
467.31619	31.5
468.31763	0.8
485.32648	51.7
503.33704	100.0
504.33948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3373
Annotation	Dianic acid
Peak:m/z	Relative Intensity
55.05509	5.7
56.96564	2.7
67.05512	13.5
69.03422	4.9
69.07047	6.4
69.29305	2.3
71.58181	3.2
71.58628	4.2
79.05499	9.1
81.07068	19.8
83.04980	4.2
83.08611	6.7
85.02889	7.8
91.05475	14.5
93.07059	16.0
94.04160	3.3
95.04951	5.2
95.08620	28.4
97.02899	6.2
97.06591	2.8
98.97621	4.1
99.08086	9.1
103.05480	3.6
105.07027	31.1
107.08591	30.6
109.02845	2.6
109.10166	20.9
111.08065	5.5
117.07021	5.3
119.08582	44.5
121.06496	9.8
121.10143	24.1
123.08084	3.7
123.11726	6.8
124.29293	2.5
127.03909	2.8
129.07024	5.4
131.04866	3.2
131.08543	18.0
133.06496	4.5
133.10138	34.8
135.08067	6.3
135.10846	2.7
135.11679	17.2
137.05986	48.7
143.08563	10.7
144.09235	2.6
145.10115	23.2
147.08081	4.9
147.11638	13.4
149.09654	8.3
149.13249	6.3
151.07568	3.3
151.11217	4.2
153.09102	3.2
157.10152	9.5
159.08044	5.1
159.11705	16.0
161.06029	5.4
161.09619	16.6
161.13272	10.2
163.07559	9.9
163.14929	6.1
169.10135	4.7
171.11743	8.7
173.13249	24.0
175.07622	14.3
175.11232	4.5
175.14748	13.5
177.05617	3.0
177.12801	3.1
177.16328	4.8
181.10170	3.6
183.11737	5.9
185.13264	9.1
187.11227	4.6
187.14832	32.7
189.12788	4.3
189.16397	14.7
191.14383	7.9
191.17995	3.1
197.13255	4.5
199.07524	4.6
199.11363	2.9
199.14830	6.4
201.12881	5.7
201.16409	5.4
203.14374	5.0
205.15916	9.7
211.14937	6.8
213.12794	4.8
215.14362	14.3
217.15906	3.6
219.01787	3.6
223.14912	3.1
223.16956	5.0
231.08105	3.8
231.13887	3.8
233.15367	18.6
241.15901	3.5
251.16373	6.2
253.19664	3.0
291.10260	5.5
311.12799	8.2
323.12894	5.8
367.26297	2.8
403.30225	5.8
409.60217	2.9
421.31104	15.2
437.30392	7.3
439.32245	18.8
449.30374	17.7
455.31714	8.4
457.33371	29.2
467.31671	47.1
485.32690	69.2
503.25912	3.2
503.33737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.8
55.05267	4.4
55.05515	60.6
57.03421	5.4
57.07073	5.1
65.03944	4.3
65.72892	3.0
67.05505	73.3
69.03436	9.0
69.07072	38.3
69.21522	32.5
71.04995	4.8
76.99213	2.9
79.05494	42.2
81.07060	88.8
83.04971	8.1
83.08624	41.0
85.06560	7.1
91.05479	26.7
93.07041	46.1
95.08614	74.3
97.06551	11.7
97.09548	4.6
97.10175	80.7
98.98493	2.9
101.09672	3.0
105.07045	31.1
107.08595	55.2
109.06539	6.8
109.10160	49.6
111.08118	7.3
117.07024	10.1
119.08592	34.5
121.06487	4.8
121.10140	39.6
123.08059	8.2
123.11714	15.3
125.09639	58.6
131.08569	18.4
133.10152	20.0
135.08061	8.1
135.11702	22.2
137.05975	6.6
137.09612	4.8
137.13235	8.5
138.43866	2.7
139.11234	4.2
139.61258	3.2
143.08548	8.0
143.10585	3.4
145.10127	16.8
147.11705	23.4
149.09621	7.2
149.13295	5.7
151.11232	4.4
153.09140	23.0
155.10623	2.9
157.10120	7.2
159.11711	18.7
161.09706	3.9
161.13257	15.8
163.11211	6.0
163.14865	8.1
165.12868	4.9
167.10677	3.6
171.10287	3.8
171.11685	5.4
173.11844	6.4
173.13283	11.7
175.11211	3.7
175.14838	8.7
177.12808	7.0
179.14311	5.9
185.13289	6.1
187.14903	7.7
189.11218	54.1
189.16370	6.5
191.14305	4.3
199.14801	4.2
201.16475	3.4
205.15880	6.9
241.19539	5.1
243.21118	10.7
257.19086	3.9
261.22134	21.0
275.20126	12.3
279.23190	100.0
293.21161	17.1
297.24268	87.7
311.22250	6.0
385.30652	3.4
395.29416	5.6
403.32193	3.8
413.30478	15.3
421.31073	4.1
431.31583	79.7
439.32343	7.4
449.32645	50.6
457.33081	11.3
467.33932	25.9
485.32391	14.6
503.34042	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	504.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03959	2.1
61.45604	0.3
63.99483	0.3
70.38808	0.6
72.85592	0.3
77.03930	0.4
79.05502	0.3
81.03394	0.3
84.08145	1.4
85.08460	0.3
87.04472	23.6
91.05486	8.8
93.07055	11.6
93.26229	0.3
95.04988	2.6
98.20734	0.3
103.04779	0.6
103.05474	9.5
105.04517	1.1
106.06568	0.8
119.08590	0.4
120.04455	0.6
121.06512	51.6
122.85940	0.3
130.47690	0.3
134.06004	1.4
137.05988	1.0
144.04417	1.3
150.05511	0.6
152.07068	0.3
160.03944	5.5
162.05496	6.0
164.07118	0.4
166.05081	0.3
166.08685	0.7
176.07089	1.2
178.05017	4.8
178.08650	0.5
180.06596	0.8
188.03447	1.0
192.06573	7.4
194.08138	24.6
195.35690	0.3
196.06084	0.4
199.33981	0.3
204.06644	1.0
206.04482	1.5
212.09082	0.3
220.06093	4.3
222.07678	1.0
236.09198	3.4
238.07114	4.4
254.10263	3.1
262.11075	0.3
264.08554	2.0
266.06735	0.4
278.10254	4.4
280.08200	4.3
280.11832	5.8
292.07938	0.5
298.09305	1.4
306.09775	2.0
310.09088	0.5
322.12793	2.0
324.10779	5.4
340.13928	2.3
352.10236	0.9
366.11856	16.2
384.12848	2.0
392.25494	0.3
418.14835	1.4
504.18661	100.0
505.18869	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78957	0.5
51.02372	0.7
53.03948	3.2
55.01863	0.8
63.92245	0.5
69.03435	1.0
69.28058	1.1
69.28474	4.0
71.22173	0.5
75.30740	0.5
77.03918	1.3
81.03413	1.0
85.02903	1.6
87.04478	1.3
91.04961	1.0
91.05484	11.0
93.07046	16.0
95.04962	3.2
97.02914	1.2
98.50344	0.6
103.05470	13.1
105.04559	1.3
107.04928	0.6
117.05492	0.8
119.04947	0.6
121.02911	0.8
121.06508	51.2
127.51653	0.5
133.05272	0.6
134.06033	0.9
135.04433	0.7
137.05977	10.4
138.06332	3.4
144.04488	0.6
145.02910	0.7
160.03958	1.4
161.05986	1.4
162.05504	2.4
175.07553	2.0
176.07101	2.0
177.05511	1.1
180.06523	2.9
188.07155	0.8
191.05847	0.5
192.06540	2.7
194.08144	7.4
204.06509	2.7
204.08853	0.5
206.04478	0.7
206.08113	1.1
216.06456	1.1
218.08089	0.8
220.06207	0.9
232.06165	4.1
234.07680	4.2
248.09280	2.9
250.07118	9.5
252.08626	3.5
252.10921	0.6
260.05603	1.5
263.07571	0.7
264.08679	30.2
266.10236	47.5
274.07111	0.8
278.06610	2.9
280.11670	2.0
292.08102	11.9
308.11298	10.4
310.09207	12.6
312.13132	1.3
324.10696	2.4
324.13757	1.1
340.13962	4.8
347.76968	0.6
352.10257	38.5
366.11853	5.2
368.83493	0.6
384.13068	1.6
430.14975	0.9
471.13025	0.5
504.18625	100.0
505.18335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03947	2.3
66.67356	0.4
69.03446	0.8
69.07063	0.4
70.00294	1.5
77.03922	0.9
79.05504	0.5
85.02897	0.7
87.04469	0.7
91.05482	8.5
93.07050	10.2
95.04977	1.8
97.02869	0.7
98.21387	0.6
103.05477	8.4
105.04544	0.9
105.47227	0.4
115.03899	0.6
119.08599	1.5
121.06512	100.0
122.06872	0.5
133.05058	0.6
133.10136	1.0
137.05956	1.9
138.06351	0.5
151.03912	0.4
162.05457	0.5
166.04999	1.8
175.14882	1.7
177.16478	0.5
178.05028	0.6
179.05675	0.4
180.06563	2.9
181.13538	0.4
193.16011	0.4
204.06429	0.5
206.04482	7.5
206.08113	1.0
208.05948	0.4
215.63406	0.4
218.08154	2.0
220.06027	2.6
222.07718	0.8
224.05548	19.7
238.07095	5.6
238.10751	0.4
248.05603	0.8
250.07143	4.3
262.29263	0.4
264.08673	9.7
265.09509	0.4
266.03854	0.2
266.06616	8.5
266.09763	0.7
268.08182	9.0
280.08237	2.6
282.09787	2.3
308.11359	1.2
310.09213	26.0
311.09207	0.5
312.13095	0.6
324.10754	7.1
344.11316	1.5
352.10242	12.6
368.11316	0.4
370.12900	0.9
386.12457	2.7
388.13934	1.5
430.15005	27.8
440.67776	0.4
472.16037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82707	0.5
58.49044	0.5
64.02966	0.5
69.14247	0.6
71.58006	0.6
76.03648	0.4
87.04471	38.5
91.05484	5.7
107.07352	1.0
108.08147	1.2
119.04941	2.2
120.04475	1.0
121.06512	0.7
131.03903	0.5
137.05974	10.5
138.06322	1.5
146.05943	0.6
148.03906	2.9
151.06300	0.7
152.07053	2.3
164.07085	0.7
166.04996	4.7
175.07654	0.7
178.08765	0.7
178.10423	0.5
180.06563	55.2
190.04984	1.2
194.08131	0.6
208.06079	1.5
222.07649	9.9
250.10825	0.6
252.08678	2.2
266.10257	30.7
271.06100	0.9
285.60611	0.6
294.09766	3.0
308.11288	100.0
312.13107	0.9
388.14035	1.0
394.76913	0.6
430.09412	1.0
430.15036	12.1
472.62546	0.5
504.18152	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03946	2.3
54.42471	0.3
71.03264	0.7
77.03922	0.7
79.05466	0.4
87.04472	24.4
91.05491	9.2
93.07048	13.2
95.04976	2.0
103.05476	10.2
105.04514	1.2
106.06546	0.6
107.07365	0.4
121.06509	49.0
132.04451	0.5
134.06018	1.7
137.05908	0.5
144.04451	0.7
150.05473	0.5
152.07063	0.9
160.03934	4.5
162.05510	6.2
166.08624	0.7
176.07031	2.1
178.05009	5.3
180.06505	0.9
192.06543	8.1
192.08142	0.6
194.08131	26.9
200.04276	0.4
203.08154	0.4
204.06578	0.8
206.04599	1.2
220.06088	4.6
224.05484	0.4
236.09180	3.2
238.07085	4.0
254.10216	3.4
264.08612	1.8
278.10205	3.6
280.08200	3.6
280.11826	4.3
298.09280	1.3
305.57571	0.4
306.09747	2.1
322.12845	2.0
324.10715	5.5
340.13922	2.7
352.10449	0.4
366.07220	0.7
366.11841	15.3
384.12784	2.0
418.15063	1.2
422.43326	0.4
504.18661	100.0
505.19272	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61790	0.4
53.03936	1.8
57.81796	0.6
67.05492	1.6
69.03431	2.7
69.07068	1.4
70.05057	1.6
70.05428	1.1
71.24776	0.5
79.05486	1.2
81.03407	1.7
81.07073	3.7
85.02921	6.1
85.06534	0.5
87.00831	2.8
91.05487	5.1
91.51656	0.5
93.07054	10.8
93.23756	0.5
95.04967	1.3
95.08617	3.7
97.02881	3.8
98.53056	0.5
99.04454	0.5
103.05467	4.7
105.01866	4.5
105.07052	1.9
107.08587	3.3
109.02869	0.9
109.10197	3.1
114.21844	0.6
118.06555	1.5
119.08597	1.8
121.06515	69.7
121.10166	4.0
122.06824	0.7
123.11729	1.7
127.03918	3.3
130.06595	0.6
131.07304	0.6
132.08150	0.9
133.10095	0.8
133.43060	0.5
135.11705	6.0
143.04691	100.0
145.04977	1.7
146.09671	1.2
147.11685	1.0
149.13251	1.7
153.22052	0.5
157.59373	0.6
160.11220	0.9
161.05779	1.0
162.09105	3.4
164.07098	0.9
176.10719	3.6
177.11559	0.5
182.08148	26.4
184.07332	2.8
190.12268	4.9
191.50967	0.7
203.17960	3.2
204.13911	1.3
205.19472	1.0
231.05025	1.4
246.85246	0.6
249.06085	0.7
251.63614	0.6
280.09384	0.9
284.12973	1.0
302.13885	25.9
320.22510	0.6
324.08185	1.0
324.12067	20.4
324.26828	0.7
340.26492	1.2
368.25845	3.8
386.26892	1.3
418.29898	1.4
430.29819	0.7
446.32736	0.8
448.30679	7.9
472.17450	2.2
473.14117	1.4
474.81503	0.6
486.19257	0.9
504.20142	6.7
504.33264	76.4
505.16733	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	504.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01861	0.7
56.05042	1.2
59.01026	0.6
60.04520	1.1
61.02931	1.3
63.24557	0.6
68.05000	0.7
69.03433	3.7
70.06584	2.3
70.35416	2.1
71.05004	0.9
72.08138	0.5
76.13130	0.6
80.05016	1.1
81.03424	4.1
83.01338	1.0
83.04996	0.7
84.04509	24.9
85.02916	3.3
86.06044	0.8
91.05492	0.9
93.07084	0.9
95.04957	0.6
96.04498	16.7
97.02901	4.2
98.06056	8.7
98.21066	1.4
99.04478	1.4
103.05438	0.7
107.90228	0.5
109.02878	5.6
114.05540	1.1
114.20177	0.6
118.08563	0.7
119.04968	1.0
121.06537	3.4
126.05525	42.1
127.03976	3.1
131.04996	0.6
134.42143	0.7
135.63467	0.6
137.05905	1.0
138.05511	100.0
144.06563	25.2
145.04918	0.9
145.16518	0.7
147.04413	2.5
161.98755	0.6
168.06580	24.0
186.07635	25.0
199.39560	0.6
204.08690	68.4
274.46716	0.6
342.19016	1.0
504.19241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.00671	0.5
55.82437	0.5
56.05032	1.6
60.04523	0.8
61.02932	1.2
66.13750	0.5
66.51186	0.5
69.03432	2.8
70.03249	2.3
70.06586	0.8
71.05009	0.7
80.05016	1.2
80.39659	0.5
81.03434	3.2
82.13599	0.5
83.04987	0.9
84.04511	18.7
85.02902	0.8
86.23371	0.5
94.68259	0.5
96.03894	0.9
96.04501	16.2
97.02884	3.6
98.06074	8.2
98.21484	0.7
99.04456	1.5
108.04462	1.1
109.02889	4.7
114.05515	0.8
121.06499	0.8
124.03918	0.5
126.05525	33.5
127.03914	1.7
130.64946	0.5
138.05511	100.0
144.06570	25.3
168.06575	25.9
186.07629	26.8
204.08693	66.6
228.51556	0.5
252.78729	0.5
432.77600	0.5
494.77829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.4
57.03453	0.8
61.02931	0.5
61.89016	0.4
69.03440	3.3
69.46388	0.3
70.99529	0.9
71.05004	0.8
72.48576	0.3
81.03416	0.4
83.04999	0.9
83.09689	0.3
84.04552	0.5
85.02908	2.5
87.04478	30.3
88.04820	0.5
91.05505	0.9
92.05008	0.6
97.02901	0.8
98.97590	0.4
99.04472	0.8
116.04987	0.8
117.05776	3.1
118.06561	3.4
120.04501	0.5
121.06544	1.0
132.08121	1.4
134.06013	0.7
134.09665	0.7
136.06209	0.4
136.07545	0.4
138.05548	1.2
144.04465	8.8
146.06013	12.0
162.05534	3.8
163.03944	1.5
172.03960	3.5
176.07091	11.8
178.08650	36.9
186.05756	0.4
186.07663	0.4
190.05025	3.1
204.06592	10.9
210.11293	2.1
217.07486	0.5
222.07646	5.3
236.09227	1.2
248.09277	1.0
262.10754	5.6
264.12360	8.0
276.08716	1.3
290.10242	6.4
290.13370	0.4
296.14944	2.1
308.11307	23.8
322.12860	4.2
330.84961	0.4
340.13940	5.3
377.18909	0.4
472.18185	1.6
504.20816	100.0
505.21240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.4
53.79142	3.9
55.01870	5.5
55.05502	9.9
57.03441	8.6
67.05515	26.8
69.03436	23.6
69.07079	20.4
70.90205	9.2
71.10590	4.0
73.02909	6.0
77.67066	3.9
79.05478	14.9
81.03439	22.4
81.07061	56.2
83.08603	4.7
85.02907	56.0
87.00848	25.0
91.05477	21.3
93.07043	54.8
95.08615	55.4
97.02906	41.3
97.10127	6.6
99.04453	9.8
103.05483	4.0
103.80814	4.4
105.01857	23.4
105.04535	4.6
105.07036	62.3
107.08602	51.6
107.32039	3.8
109.02908	23.0
109.10165	74.4
117.01865	4.3
119.08598	60.0
121.06500	13.3
121.10124	31.2
123.11743	21.9
125.09628	10.7
127.03947	33.1
129.45731	4.5
131.08571	4.3
133.10139	40.2
135.11734	36.2
137.09601	4.9
145.04974	14.5
147.11714	68.5
159.02927	11.0
159.11737	6.7
161.13229	21.2
163.14827	4.8
165.12766	8.0
175.14836	15.8
177.16341	5.4
203.17972	100.0
221.18990	17.3
231.04893	5.4
324.10800	6.8
329.21442	4.7
427.91870	4.6
471.01450	5.0
518.98285	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23142	1.1
53.03943	4.0
54.57042	0.9
55.05507	3.0
56.23209	1.0
59.04999	1.0
61.02916	2.8
67.05498	3.9
69.03436	8.4
69.07068	5.8
71.05010	1.8
73.02908	1.0
79.05492	1.8
81.03415	3.4
81.07059	15.6
83.08624	2.0
85.02911	21.2
87.00835	13.0
87.04519	1.0
91.05478	7.1
93.07055	17.6
95.08618	11.6
97.02899	12.5
99.04447	3.4
103.05476	4.6
105.01870	19.6
105.07030	5.7
107.08607	13.4
109.02879	5.0
109.10154	9.0
111.41470	1.1
115.03940	2.5
118.06538	1.2
119.08599	5.7
121.06516	71.5
121.10144	13.8
123.11707	5.0
127.03928	13.8
133.10139	3.2
135.11710	18.5
143.04689	100.0
145.04961	9.8
146.09659	2.1
147.11726	5.1
149.13283	5.5
159.02911	2.2
161.04527	1.3
162.09135	5.3
164.07130	1.5
175.58647	1.1
176.10780	3.3
180.06564	1.1
182.08145	24.0
184.07367	3.1
190.12292	6.2
193.61789	1.1
203.17982	12.1
204.13817	1.4
205.19586	4.1
231.05016	5.3
249.06006	2.5
302.13889	26.1
324.12057	20.4
340.26190	1.6
368.25937	4.2
386.26929	1.8
445.14798	2.9
448.30539	7.9
473.14063	5.2
504.19998	5.6
504.33267	96.0
505.16678	8.7
505.33521	1.7
516.29791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.2
54.08594	2.9
55.01858	4.9
55.05511	17.2
58.72182	3.5
65.03951	3.0
65.49803	3.2
67.05510	36.6
69.03432	14.5
69.07080	20.0
69.55052	23.2
70.87578	3.1
71.04996	4.5
73.02911	6.1
79.05500	13.9
81.03420	10.9
81.07066	46.4
83.08624	10.5
84.08136	7.1
85.02907	31.8
85.06536	9.6
87.00825	12.9
91.05488	35.7
93.07051	83.4
95.04991	10.0
95.08615	60.8
97.02910	13.2
97.10176	3.7
99.04480	5.2
103.05478	13.5
105.01888	11.5
105.07047	59.7
107.08598	45.3
109.02884	12.4
109.10160	85.0
111.08114	9.0
119.08601	47.4
121.06516	100.0
121.10156	32.6
122.06876	4.9
123.11715	15.4
125.09680	4.8
127.03942	17.0
131.08589	6.2
133.10153	34.3
135.11702	45.9
137.13249	3.9
143.08601	5.1
145.04948	9.5
145.10138	7.1
147.11681	61.2
149.13246	4.5
151.11176	3.5
159.02913	5.4
161.13297	17.4
164.07115	10.6
165.12750	6.9
175.14847	11.3
180.06615	6.3
203.17969	73.7
221.18985	10.4
222.07642	5.8
231.04927	4.2
266.10199	4.4
292.12167	3.7
308.11240	5.3
324.10678	6.8
352.10245	8.2
433.22147	4.1
445.34128	4.4
450.12772	3.8
458.33347	5.3
475.31522	4.2
504.18445	34.7
504.25003	4.6
505.20685	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	504.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.2
55.01867	7.1
55.05515	12.3
56.96576	3.4
57.03433	5.6
67.05514	37.5
69.03427	16.9
69.07082	23.0
70.06258	14.9
71.04994	7.1
73.02936	4.3
78.87570	3.5
79.05493	19.8
81.03413	14.5
81.07066	50.8
83.08622	12.4
84.08141	10.7
85.02908	36.4
85.06545	5.6
87.00845	12.5
87.04438	3.6
89.17264	3.3
91.05488	38.7
93.07054	81.8
93.07632	6.5
95.04977	10.1
95.08614	57.8
96.17924	3.4
97.02362	4.1
97.02873	18.1
99.04463	8.4
103.05496	18.0
105.01856	12.8
105.07034	59.2
107.08604	50.5
109.02860	11.6
109.06515	4.5
109.10168	79.4
110.10562	4.4
111.08092	6.2
112.11275	8.1
117.07047	3.6
119.08589	42.4
121.06522	100.0
121.10158	35.6
123.11724	16.9
125.09706	4.3
127.03946	21.3
130.21304	3.5
133.10144	35.1
133.72946	3.2
135.11685	38.0
145.05000	7.6
145.10124	6.3
147.11710	57.6
149.13258	4.9
150.44547	3.7
159.02928	7.3
161.13274	14.3
163.03943	4.4
164.07072	8.6
165.12700	5.7
175.14839	9.2
180.06674	3.6
187.11192	3.7
203.17987	77.7
221.18979	9.9
250.07272	3.7
253.07581	3.6
264.08783	7.1
266.10294	13.1
310.09436	4.1
352.10217	10.8
413.69058	4.2
504.18533	58.9
504.33920	5.6
505.20209	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.05507	5.7
57.03429	1.0
57.07073	1.4
67.05511	11.2
69.03435	3.3
69.07072	6.9
71.04991	6.3
74.24664	0.9
79.05501	14.0
80.88981	1.2
81.03415	2.7
81.07059	51.7
83.08604	3.4
85.02918	8.4
86.18661	1.1
87.00834	4.5
91.05482	11.5
93.07047	21.1
95.04973	1.8
95.08609	22.9
97.02911	5.4
97.06519	1.5
97.10148	2.1
99.04467	2.0
100.84214	1.1
103.05441	2.4
105.01865	6.3
105.07032	30.5
107.08597	27.2
109.02900	2.8
109.09460	1.9
109.10160	26.6
110.07251	1.1
113.09668	1.1
117.07028	2.2
118.06549	2.3
119.08583	47.8
121.06515	7.0
121.10169	7.8
123.11726	12.0
123.85052	1.2
127.03958	5.3
127.11212	8.6
128.10812	1.2
131.08559	1.5
132.08115	1.2
133.06480	1.1
133.10135	19.8
135.11705	27.7
137.06023	1.3
137.13260	2.2
144.08147	1.3
145.04958	2.7
145.10135	1.1
146.09583	1.3
147.04457	1.7
147.11691	19.7
149.09544	1.2
149.13252	4.2
153.12761	4.9
159.02971	1.4
159.11699	1.4
161.13278	7.3
162.09171	5.1
162.84932	1.2
163.14796	1.3
164.07077	2.4
175.14841	3.2
176.10783	3.5
190.12320	7.7
203.16264	2.1
203.17982	25.6
221.19005	7.9
222.07657	1.4
231.05096	1.8
249.06097	1.8
318.20880	1.7
340.03134	1.1
340.26379	1.7
368.25906	2.9
386.26910	2.3
418.29507	1.8
430.29517	1.7
448.30496	10.0
504.33231	100.0
505.33731	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.1
55.01872	5.4
55.05519	17.8
56.96554	4.4
57.03427	4.4
57.07073	4.9
59.05007	3.3
61.01154	4.3
65.03944	3.3
67.05518	17.8
69.03441	17.9
69.07060	12.9
71.05006	19.9
71.56814	3.8
73.02927	4.3
79.05495	25.8
81.03418	14.9
81.07063	98.7
83.05010	4.6
83.08614	13.6
84.08138	5.1
85.02913	42.0
87.00409	3.2
87.00848	28.0
89.58962	3.6
91.05495	21.9
93.06480	4.2
93.07053	49.2
95.04967	5.8
95.08617	36.4
97.02900	20.5
97.06527	4.1
97.10161	3.6
99.04450	5.4
99.08105	8.8
103.05465	7.3
105.01878	27.7
105.07042	32.2
107.08608	61.2
109.02882	10.6
109.10165	35.1
111.08073	4.4
112.11267	6.0
119.08581	39.9
121.06519	59.2
121.10160	18.1
123.11062	2.8
123.11724	29.3
124.18626	3.0
125.09621	6.3
127.03922	21.9
127.11231	15.0
131.08560	9.0
133.10153	36.3
134.10451	4.2
135.04401	2.8
135.08067	3.3
135.11707	100.0
136.12068	3.2
137.09601	3.9
137.13271	4.3
143.04689	6.9
143.10706	15.3
145.04977	12.0
145.10109	15.2
146.10396	3.5
147.11711	31.7
149.13280	11.6
153.12738	3.4
157.10112	4.3
159.02907	6.5
159.11705	9.0
161.09755	12.0
161.13228	14.5
162.09906	4.3
171.08072	3.0
173.13301	3.7
175.14806	3.4
187.11227	3.8
187.14830	7.7
188.15155	7.8
189.16374	3.5
191.14377	3.9
203.18005	54.1
205.19443	5.8
215.14380	6.2
221.19022	53.3
222.65675	3.2
231.05043	4.7
234.15863	5.0
282.09650	3.8
310.09247	7.0
324.10870	3.8
352.17392	6.8
422.31384	4.2
430.14832	5.7
440.32385	5.1
458.33392	19.3
468.31857	3.5
504.26993	4.9
504.34091	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	504.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.1
55.01868	6.6
55.05516	17.6
55.46778	3.4
56.96568	3.3
57.03431	4.5
58.78907	3.4
61.02919	5.0
67.05505	26.6
69.03434	33.7
69.07073	39.7
69.96824	10.8
69.97240	7.2
71.04993	9.4
73.02916	5.5
79.05494	21.9
81.03429	24.4
81.07063	100.0
83.04984	24.4
83.08603	7.7
84.08137	6.7
85.02908	63.5
87.00823	34.3
91.05470	22.8
93.07057	40.2
93.54477	3.6
95.04977	16.8
95.08614	64.5
96.26687	3.6
97.02896	51.8
97.06503	8.5
97.10178	5.0
98.97617	4.2
99.04456	16.9
103.05450	4.9
105.01877	50.7
105.07044	56.7
107.08594	39.3
109.02868	17.1
109.10158	42.6
111.08098	5.1
111.11742	5.7
112.11214	4.5
115.03928	4.3
119.07793	5.5
119.08586	54.9
121.06533	21.0
121.10142	33.2
123.11716	57.2
125.09605	4.5
127.03938	60.7
131.08598	6.3
133.10138	32.4
135.11679	25.5
137.13287	10.1
139.11200	8.2
143.08554	4.2
145.04987	35.1
145.10126	9.7
147.11688	52.1
149.13167	4.9
153.12682	4.2
159.02916	11.5
159.11670	5.0
161.13226	18.5
163.14882	6.5
165.12779	3.5
173.13312	7.1
175.14806	8.5
177.16357	7.0
203.17964	44.4
221.19019	15.9
231.05048	15.4
233.15192	3.5
240.40317	3.5
249.06033	7.5
299.01968	4.3
338.52609	4.1
504.33984	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	504.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27184	0.1
55.05515	0.2
56.05036	0.5
56.96564	0.2
57.03434	0.4
58.06632	0.5
60.08165	5.8
60.76505	0.1
67.05495	1.0
68.36388	0.1
70.06615	0.1
71.07376	2.5
71.56605	0.2
76.79587	0.1
79.05506	0.7
81.07059	0.9
84.08128	0.2
86.09708	29.9
91.05484	0.5
93.07027	0.7
95.05001	0.2
95.08615	0.5
98.98467	2.8
103.05447	0.2
104.10748	2.8
105.07043	0.3
107.08604	0.3
109.10184	0.2
112.11314	0.1
119.08574	0.2
121.06526	0.8
121.10111	0.2
125.00010	21.4
128.42967	0.1
133.10149	0.2
143.04694	0.2
179.14273	0.2
184.07347	100.0
185.07590	0.2
229.07449	0.1
258.11087	0.3
259.12695	0.5
259.62854	0.4
321.24292	0.2
343.27008	0.1
486.29782	1.0
504.23914	0.3
504.30853	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	504.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.5
57.03435	4.5
57.07089	4.6
65.44412	3.5
67.05512	36.0
67.13979	4.0
69.07065	21.6
69.33112	15.0
69.33540	17.5
71.04971	20.0
79.05492	26.0
81.07056	64.6
83.08608	11.6
85.02905	17.1
91.05476	32.7
93.07041	54.3
95.04987	25.7
95.08604	100.0
97.06499	7.6
97.10169	4.1
98.20773	7.2
105.07034	56.1
107.08595	83.6
109.06517	15.7
109.10151	56.2
111.08074	7.3
117.07025	9.4
119.08587	59.8
121.06499	5.5
121.10148	66.2
123.04426	34.2
123.08094	9.7
123.11700	32.6
128.06206	3.5
129.06998	5.9
131.08577	37.5
133.10138	45.6
135.08092	6.0
135.11690	67.7
137.05925	6.6
137.09625	3.8
137.13263	13.4
143.00179	4.1
143.08574	16.1
145.10129	37.6
147.07996	4.3
147.11667	40.1
149.13261	26.5
151.07574	20.2
151.11200	6.4
157.10144	26.3
159.11688	44.5
161.09650	10.0
161.13237	25.7
163.14796	18.4
167.07060	6.5
170.10924	4.1
171.11703	15.3
173.09564	4.2
173.13232	22.8
175.11182	8.3
175.14790	20.2
177.12778	27.7
177.16298	9.3
183.11652	5.5
185.13289	11.0
187.14757	18.7
189.12756	14.1
189.16345	20.8
191.14284	9.7
191.17952	51.5
197.13260	5.6
199.14835	6.0
201.12891	6.1
201.16374	16.2
203.10756	3.7
203.14330	8.1
203.17892	21.8
211.14861	4.7
213.16689	3.9
215.14427	5.3
215.17978	8.5
217.12244	8.3
217.19568	9.0
225.16422	5.0
227.17990	4.8
229.19463	9.8
237.72137	3.4
243.20993	4.1
381.31528	18.5
399.32523	11.2
407.29111	9.7
425.30276	9.6
441.33527	10.6
443.30853	5.9
443.35718	6.6
469.32513	7.7
487.34271	43.1
504.36462	22.1
528.36591	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	505.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56792	1.4
56.96339	1.8
56.96568	16.2
57.03458	2.1
61.02914	3.6
69.03431	9.2
71.95247	1.8
73.02925	1.8
81.03428	2.8
84.96013	6.4
85.02899	19.1
86.09682	1.9
88.97032	1.3
91.05477	3.1
97.02885	7.9
97.96815	4.6
98.97586	94.4
102.89358	1.5
109.02891	2.2
110.97573	32.2
112.99169	8.2
115.97862	1.7
116.98628	23.5
119.01881	1.4
119.04967	2.1
124.99100	1.6
127.03922	6.1
128.98611	22.9
131.00169	7.4
131.01836	2.9
132.80440	1.3
134.99686	3.1
136.06158	1.6
137.05971	9.9
137.16536	1.4
140.98511	3.4
141.03481	1.4
143.00140	6.0
145.04974	4.1
146.99622	6.8
147.03328	1.8
147.04424	6.4
155.01863	2.3
157.03493	1.8
158.99669	9.1
161.01251	3.4
163.03972	5.0
167.07021	5.5
170.99652	7.9
173.01263	1.8
177.00728	3.4
178.04906	3.3
179.07042	4.0
189.00739	5.3
194.99615	1.6
201.00757	6.6
201.06100	1.8
209.01326	2.3
219.01773	59.0
220.02147	1.6
221.05061	3.5
222.05164	1.6
223.99979	2.4
225.04352	4.8
227.02306	3.7
237.00435	3.5
237.02829	66.4
238.01454	3.7
239.04274	2.3
241.03844	2.9
242.01054	4.5
243.05409	4.6
253.03813	8.8
255.03986	3.6
256.02533	10.7
260.01953	3.1
265.03867	34.2
268.02570	1.7
271.04871	17.6
274.03683	3.0
275.04340	1.9
279.09146	1.9
283.04922	20.0
285.02777	5.1
289.05893	4.5
291.09250	3.9
295.04846	5.7
301.05984	7.6
313.05975	2.5
317.09708	7.2
321.10449	2.1
323.06503	2.3
325.05838	6.4
334.03790	2.4
343.06934	5.9
349.05728	3.1
355.06955	4.4
367.06927	16.6
379.06946	2.3
385.08075	5.1
397.08139	19.9
398.62476	1.5
403.09290	2.8
409.08450	2.8
415.09146	15.2
427.09021	2.0
445.10190	100.0
463.11725	1.8
469.12357	2.7
505.11905	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	505.1684
Annotation	Bipinnatin A
Peak:m/z	Relative Intensity
53.03950	1.6
67.05497	1.3
69.03428	2.9
69.07070	1.2
69.71015	5.4
71.04998	1.2
73.02910	1.0
75.11260	0.7
79.05500	1.0
81.03409	1.0
81.07068	4.9
83.35415	0.8
84.08159	1.8
85.02893	4.8
86.03213	1.2
87.00827	3.2
91.05479	4.2
93.07044	7.2
94.07389	1.3
95.04998	1.6
95.08633	4.4
96.08969	0.8
97.02895	3.2
103.05479	3.8
104.05782	0.9
105.01892	4.6
105.02511	0.8
105.04489	1.0
105.07010	1.4
107.08597	2.3
108.08933	0.9
109.10158	2.8
110.10487	0.9
112.11310	1.0
116.01734	1.3
118.06613	1.1
119.08591	1.8
121.06514	41.5
121.10159	3.2
122.06825	6.1
122.10429	2.1
123.11726	1.1
127.03927	3.9
133.10075	1.0
135.11710	3.4
136.12050	2.9
137.06018	1.4
143.04698	26.3
144.05020	11.0
145.04990	1.7
147.11703	1.7
148.12053	1.2
149.13275	1.1
150.05534	0.8
162.09154	2.0
164.07112	6.8
176.10683	1.4
182.08147	5.5
183.08478	1.3
184.07312	1.2
190.12265	3.8
191.12611	1.3
203.17958	1.4
203.21231	0.8
204.18335	1.2
213.37030	0.9
223.60495	0.8
248.09239	1.3
302.13846	3.3
303.14206	4.9
311.07074	1.7
321.05960	2.4
324.12222	1.9
325.08771	3.7
325.12473	3.5
353.08429	3.3
363.14548	1.2
368.25906	1.9
369.26215	1.8
371.10873	1.0
385.12024	1.3
386.26517	1.2
413.11884	5.2
431.12921	2.8
441.11697	4.5
445.14728	41.1
448.30569	3.1
449.31250	4.4
473.14233	67.1
473.92780	1.0
504.33289	22.8
505.16849	100.0
505.33511	55.0
506.17139	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.05484	1.0
67.05494	1.4
68.05818	0.8
69.03426	2.3
69.07052	1.9
70.82304	1.7
71.04994	1.0
79.05474	1.7
81.07066	2.8
84.08151	1.3
85.02898	4.7
86.10484	0.7
87.00826	1.8
91.05490	4.5
93.07043	7.2
95.04946	1.0
95.08617	3.6
96.08943	0.8
97.02892	2.6
99.04468	0.9
103.05478	3.4
105.01857	3.1
107.08575	2.7
109.10176	2.2
110.48674	0.9
112.11254	1.4
119.08528	0.9
121.06513	42.9
121.10197	2.0
122.06834	6.9
123.11720	1.0
127.03907	2.3
135.08081	1.0
135.11716	1.9
136.12012	2.2
143.04688	26.7
144.05054	9.4
145.04977	1.4
146.09671	1.2
149.13220	1.5
150.05670	0.8
161.28664	0.8
164.07083	4.8
176.10641	1.1
177.16356	1.0
182.08150	5.4
183.08514	2.8
184.07437	1.1
190.06053	0.8
190.12270	1.0
191.12575	0.9
203.17920	0.9
204.18326	1.6
240.37424	0.9
248.09230	1.0
264.45410	0.8
292.14133	0.7
292.59244	1.0
302.13864	4.6
303.14178	7.3
309.37445	0.8
311.06964	2.0
321.05823	2.5
322.16989	0.9
324.12109	2.2
325.05191	1.0
325.08707	4.0
325.12433	4.7
353.08340	3.4
360.04730	0.8
379.21671	0.8
385.12872	1.3
408.40918	1.2
413.11929	4.2
431.12555	2.5
441.11588	5.5
445.14752	37.2
448.30389	1.6
449.30942	2.5
473.14200	56.9
504.33279	11.0
505.16788	100.0
505.33420	31.5
506.17368	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2259
Annotation	Lys Glu Asn Asp
Peak:m/z	Relative Intensity
61.02922	0.5
61.72257	0.3
69.03420	0.9
69.23337	0.4
69.74309	1.3
69.74715	0.8
79.05473	0.4
81.03403	0.6
84.08154	2.6
85.02921	2.2
86.09769	0.5
90.76028	0.3
91.05506	0.8
95.04973	0.4
97.02897	1.2
98.97594	0.8
101.79826	0.4
107.05009	0.4
121.06495	0.7
123.04487	0.5
130.08678	0.7
131.00987	0.4
137.05981	1.0
145.04953	0.7
151.03885	0.6
158.99690	0.5
165.05453	1.8
177.05449	0.7
179.17871	0.4
185.01285	0.4
193.04779	0.4
203.05212	0.4
206.99620	0.4
219.01801	0.6
222.04593	0.4
235.34396	0.4
262.06204	0.7
275.07431	0.8
280.08511	0.4
288.66995	0.4
303.07599	0.8
333.08041	1.6
335.09494	17.8
343.08713	1.1
343.59128	0.4
363.12567	0.4
373.18350	0.7
389.48651	0.4
424.11423	0.4
505.22610	100.0
506.22812	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88989	0.8
53.03940	1.5
53.86435	0.8
55.01877	1.6
55.05509	4.5
57.03441	6.7
57.07066	1.4
65.03931	0.8
65.78539	0.7
67.05508	14.7
69.07072	5.5
71.04966	1.7
71.57749	1.1
79.05495	15.9
81.03413	2.6
81.07062	18.9
83.08615	2.3
84.08134	1.2
85.02898	1.4
88.72475	0.7
91.05484	15.8
93.07047	19.0
95.04981	1.8
95.08609	13.6
97.06545	2.2
98.98474	15.3
99.04491	1.0
100.67431	0.9
103.03932	1.4
103.05447	1.4
105.07037	15.5
107.08611	12.3
109.10152	4.2
111.08073	1.2
112.11269	1.9
117.07034	5.8
119.08584	16.8
121.06503	5.8
121.10148	10.6
123.08113	1.0
123.11758	1.0
128.06226	1.0
129.05490	5.9
129.07008	2.5
131.08566	11.1
133.10127	12.0
135.08037	0.9
135.11687	9.3
137.09616	0.9
143.08551	2.8
145.10118	8.1
147.04347	0.9
147.11720	8.9
149.09706	1.1
149.13272	3.7
155.01018	1.9
155.07002	2.1
157.10133	3.7
159.11693	7.8
161.13257	9.6
163.03918	0.9
163.14830	3.6
171.11746	5.5
173.02098	2.0
173.13280	6.8
175.06079	1.0
175.14886	5.5
177.12762	1.1
183.11591	1.1
185.13217	4.6
187.14850	2.2
191.14322	1.1
199.14851	3.0
203.14284	1.0
215.17992	3.2
217.19466	4.7
231.21060	1.9
241.19527	24.2
243.21152	2.7
247.05807	1.6
259.20587	12.9
275.20126	1.4
277.21527	1.5
315.23236	2.4
333.24240	100.0
334.24603	1.1
362.23041	0.8
378.13577	0.8
405.98557	0.9
505.19995	4.5
505.26990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76469	0.8
55.05511	2.8
57.03434	1.8
57.07072	0.9
61.02934	0.7
67.05520	3.6
69.03420	1.9
69.07062	2.8
70.06604	0.9
71.04995	1.2
71.55946	0.9
72.08153	2.4
73.02917	2.1
81.03410	0.9
81.07071	5.0
81.93912	0.8
83.04969	1.3
83.08618	2.3
84.08147	4.1
85.02908	7.0
85.06539	0.8
91.05479	2.2
93.07064	4.0
95.04961	0.6
95.08611	8.7
97.02907	2.1
97.07655	1.4
97.55760	0.7
103.05415	0.9
105.07039	1.4
107.08592	5.0
109.02867	1.0
109.06509	1.7
109.10161	13.5
111.08079	5.8
114.10310	9.8
119.08588	8.8
121.06507	9.3
121.10165	6.2
122.06829	1.0
123.08076	8.4
123.11718	3.4
125.09636	1.1
127.03910	1.1
133.10153	10.2
135.11714	10.8
137.09630	20.2
137.13289	0.9
137.98871	0.6
138.10422	1.8
144.10191	1.5
145.04956	0.9
147.11703	1.9
149.13275	2.9
151.11224	1.5
151.14813	2.4
165.12779	2.8
165.16357	1.6
175.14841	16.5
178.08646	0.8
181.58217	0.8
191.14279	1.0
193.15916	14.9
211.16951	100.0
231.92445	0.7
259.69785	0.8
266.10251	1.0
267.26913	0.7
277.16602	1.0
295.17691	1.7
303.83783	0.7
505.18384	1.5
510.22430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2649
Annotation	Leeaoside
Peak:m/z	Relative Intensity
53.27094	0.8
54.62042	1.0
55.05501	1.4
57.03416	1.0
61.02890	1.1
63.42084	0.9
67.05502	1.9
67.67860	1.0
69.03427	2.5
69.07056	2.3
71.04984	1.7
72.08122	1.3
73.02914	2.9
79.26475	0.8
81.07058	4.3
83.04979	2.0
83.08607	1.2
84.08134	2.6
85.02896	5.0
85.06545	0.9
89.70013	0.9
93.07030	3.4
95.08595	8.1
97.02905	1.6
97.06539	2.1
98.21115	5.5
99.08050	1.0
105.07036	1.1
107.08592	3.6
109.06524	2.2
109.10155	15.5
111.08086	7.2
114.10303	7.5
119.08590	9.2
121.06497	6.8
121.10123	5.6
123.08074	6.2
123.11671	2.6
125.09667	1.2
127.03895	1.1
133.10130	9.1
135.11710	10.7
137.09624	17.0
137.57787	0.9
139.11160	1.0
144.10274	1.5
147.04356	0.9
149.13231	3.6
151.14803	2.1
163.03818	1.0
165.12746	3.0
165.16312	1.1
175.14836	18.3
191.14316	1.5
193.15910	12.6
211.16936	100.0
281.66995	0.8
295.17648	1.4
505.24741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
54.31667	2.4
55.01869	3.1
55.05508	8.6
67.05505	12.3
69.03428	3.4
69.07076	13.6
69.46217	20.4
69.72818	2.3
70.06575	5.2
72.08160	50.6
79.05518	17.4
81.03407	4.3
81.07063	41.1
83.04977	8.9
83.08622	5.1
85.02906	7.4
85.06551	4.7
86.24699	2.8
87.04488	5.9
91.05488	35.0
92.05824	3.0
93.07059	43.6
95.04977	7.5
95.08620	49.0
96.48219	2.5
97.02860	6.0
97.06496	3.1
99.08114	15.4
103.05469	5.1
105.07040	62.3
105.89464	2.5
107.04933	3.6
107.07887	2.7
107.08607	54.8
109.06531	5.3
109.10172	25.9
117.03365	5.3
117.07018	8.6
119.04967	6.6
119.08591	100.0
121.06535	19.7
121.10159	37.5
122.06873	5.5
123.08144	4.7
123.11729	15.2
128.06256	3.9
129.07016	5.0
131.08585	63.8
133.06487	3.0
133.10138	58.7
135.08064	10.1
135.11707	19.9
137.05995	41.3
138.06340	5.8
143.08565	11.5
144.09366	4.2
145.02864	16.8
145.10136	68.3
146.06026	3.5
147.04451	4.9
147.08054	4.8
147.11703	66.0
149.06000	5.0
149.13232	15.5
151.07454	3.2
154.75937	3.1
155.08656	3.5
156.09431	3.0
157.10144	27.9
158.10916	4.4
159.11703	40.1
161.09650	5.1
161.13249	22.8
163.03882	4.6
163.07542	4.4
163.11324	3.4
163.14868	15.7
164.15173	4.5
169.10178	5.2
170.10918	3.0
171.11667	17.0
172.12404	3.0
173.13269	48.5
175.07578	4.2
175.11235	3.0
175.14828	34.7
177.05463	24.2
177.12735	4.8
177.16417	27.3
178.08553	5.3
180.06567	9.1
181.06805	4.1
181.08472	3.0
181.10098	3.2
183.11690	9.4
185.13263	24.3
187.14838	89.8
189.12714	4.8
189.16383	20.4
191.14325	10.0
194.08136	4.5
195.08488	3.1
195.13777	3.0
197.13301	9.5
199.14841	34.8
201.16400	53.0
203.14307	21.4
203.17928	8.6
204.18277	6.4
205.15894	88.0
209.13440	3.3
211.14818	5.3
213.16254	15.0
215.14368	4.7
215.17957	3.1
217.15860	10.3
219.17474	16.0
221.15375	9.5
222.07617	4.6
223.07852	3.2
223.14659	3.6
223.16867	3.2
225.16287	4.7
227.17972	4.1
229.15846	4.1
231.17288	6.6
243.17509	4.3
272.06223	3.1
291.13913	2.9
293.15186	11.1
297.82483	3.1
308.11386	7.6
309.11557	8.3
325.10782	4.5
325.17752	4.6
335.23788	3.0
337.14627	6.3
353.14050	3.9
365.28409	5.6
375.30377	5.7
377.32037	5.5
387.30453	5.7
393.31586	9.6
395.33035	6.2
405.26624	3.1
405.31625	36.8
411.32883	5.4
423.27460	3.7
423.32724	42.9
432.83780	2.6
439.32101	10.6
441.33499	3.8
451.32111	22.7
457.33078	4.9
469.33194	62.8
505.22882	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	505.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68538	2.5
53.00249	2.6
53.03942	4.1
53.26626	2.9
55.05497	11.1
65.03938	3.3
67.05508	14.4
69.03431	5.4
69.07069	13.3
69.48818	7.4
69.49231	11.9
70.06595	5.4
71.04987	2.7
72.08157	52.3
72.37426	3.4
79.05497	15.4
81.07060	41.3
83.04978	11.1
83.08608	4.5
85.02914	5.5
86.03231	3.3
86.45668	2.4
87.04482	9.2
91.05486	39.6
93.07055	43.0
95.04981	7.7
95.08612	49.3
97.02888	9.2
97.06525	3.4
99.08111	20.8
103.05474	4.2
105.07037	73.6
106.76359	3.0
107.08602	54.6
108.08896	2.3
109.02861	2.9
109.06525	4.7
109.10156	24.1
111.08123	3.3
115.38061	2.5
117.03384	7.2
117.06998	14.7
119.04955	5.2
119.08588	100.0
121.06518	17.5
121.10146	34.8
122.06812	4.0
123.04414	5.1
123.08084	8.3
123.11686	15.1
129.07030	6.6
130.07755	4.2
131.04924	6.2
131.08578	64.1
133.09113	3.8
133.10135	57.5
135.04424	3.3
135.08047	4.3
135.11678	19.9
137.05992	33.1
138.06310	8.6
143.08543	14.9
144.04388	3.0
145.02858	13.6
145.10123	71.4
147.04411	9.9
147.08076	3.7
147.11694	57.1
149.05948	4.1
149.13287	16.8
151.03958	2.7
156.09320	4.7
157.10114	20.6
158.10884	5.3
159.11711	45.0
161.09634	8.0
161.13281	19.8
163.03908	4.7
163.07558	6.0
163.11179	2.9
163.14853	15.8
164.15118	4.6
165.05475	6.3
167.07043	2.9
169.10164	5.7
170.10901	3.1
171.11679	20.3
173.13283	41.2
175.07547	3.6
175.14857	33.9
177.05463	24.7
177.12715	3.3
177.16377	33.5
178.08620	5.0
179.09021	3.2
179.14287	4.8
180.06575	11.5
181.06871	6.8
183.11696	9.7
184.12434	3.0
185.13235	20.1
187.14830	91.4
189.12753	4.1
189.16388	22.1
191.14247	14.3
191.17947	3.9
193.15907	3.8
195.13736	3.1
197.13268	9.1
199.14842	38.7
201.05467	4.3
201.16400	57.7
202.16821	2.7
203.08569	4.2
203.14297	20.9
203.17950	13.4
204.18295	7.7
205.15897	99.7
207.06490	3.5
207.17453	3.0
209.15259	3.7
211.14790	8.5
213.16386	16.2
215.14354	4.2
215.17934	3.8
217.15869	9.8
219.17427	11.7
221.15369	8.6
221.18884	4.0
222.07594	3.3
223.07854	3.7
223.14774	3.2
223.16946	3.6
225.16408	6.4
227.17975	6.2
229.15810	5.5
231.17447	6.3
239.07494	3.5
265.08740	3.1
266.10397	5.8
267.10602	4.9
293.15143	10.0
308.11179	9.3
309.11853	13.8
309.14810	3.7
310.09268	4.7
325.10910	3.5
325.17633	4.6
336.14386	4.4
337.14709	6.0
351.26706	6.0
365.28400	5.1
377.32193	5.3
387.30463	5.7
393.31537	13.7
395.33051	6.5
405.31564	30.1
411.28049	4.1
411.32587	8.0
423.32660	40.8
433.31271	4.1
439.32040	16.5
441.33832	6.7
451.32062	21.6
457.33084	4.1
469.33215	54.7
487.33917	2.9
505.14737	5.1
505.22745	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3533
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
55.05511	25.7
56.96575	12.2
57.07068	8.2
67.05495	23.7
69.03427	9.5
69.07061	28.1
71.58420	16.8
79.05497	35.8
81.07054	68.6
83.08620	19.0
85.02956	10.4
89.03932	10.5
91.05482	76.6
93.07066	59.3
95.04951	16.8
95.08619	73.2
97.02894	28.0
97.06538	13.9
99.08100	18.6
99.42150	8.1
103.05456	11.5
105.07036	77.0
107.08597	81.1
109.02917	11.4
109.06535	8.6
109.10175	44.4
117.03351	13.5
117.06996	10.5
119.04949	29.8
119.08612	95.9
121.06516	40.8
121.10174	53.2
122.06759	9.0
123.08066	18.6
123.11691	20.8
124.84225	7.8
131.08588	60.2
133.10143	77.8
135.04431	8.7
135.08061	10.3
135.11748	39.4
137.05981	100.0
137.09619	10.2
145.02831	31.6
145.10139	63.8
147.11722	68.9
148.01738	8.3
149.13310	10.9
151.07552	9.2
155.08531	9.8
157.10170	27.6
159.11691	54.9
161.09570	13.4
161.13260	30.6
163.11160	8.6
171.11702	23.1
173.13266	38.9
175.03781	9.5
175.07576	10.3
175.14844	33.9
177.05511	79.8
177.16444	19.8
180.06578	26.8
183.11717	12.8
185.13217	25.6
187.14841	58.4
189.16447	26.8
191.14288	18.0
197.13301	14.0
199.14851	24.0
201.05598	10.9
201.16412	65.5
203.14276	21.5
203.17874	8.4
205.15910	37.0
207.06590	10.1
213.16463	31.2
215.17921	13.5
219.01735	12.0
221.15233	14.0
225.16374	9.1
308.11258	10.7
309.11777	15.3
325.14658	23.4
405.31598	47.2
411.32553	14.6
423.32581	27.3
433.30670	15.2
441.33356	14.9
451.31976	37.1
469.33112	45.8
484.24649	9.7
487.33936	19.0
505.16974	56.3
505.25797	8.6
505.34024	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.1
70.06580	1.1
70.63110	1.5
71.04996	0.7
79.05489	1.7
81.07043	0.8
84.08133	0.6
84.95639	0.4
85.02895	1.9
86.09676	0.6
91.05486	30.4
93.07021	0.7
95.75676	0.6
98.97606	0.7
103.05485	1.2
106.06532	1.1
106.80566	0.5
107.07318	0.5
109.06511	1.2
117.03374	1.1
119.04945	13.7
120.04478	0.6
121.02824	0.6
121.06519	1.7
121.08793	0.5
122.06069	0.9
128.58432	0.5
129.10150	0.5
130.04976	0.5
132.04427	0.6
132.08113	0.7
133.05225	0.6
134.06033	2.6
135.04456	1.2
136.07617	0.5
137.05988	25.4
138.06297	0.6
144.04497	1.0
145.02840	1.8
147.04399	0.8
150.05470	0.5
151.03925	0.9
160.03935	1.4
160.07593	1.5
162.05484	6.1
163.03891	0.6
165.01883	0.7
166.08566	0.6
170.12566	0.5
176.07077	2.3
177.05461	4.6
178.04918	1.6
180.06598	2.4
188.07132	1.5
190.04971	0.8
192.06599	1.5
194.08130	12.3
204.06625	2.3
205.07343	0.9
206.08115	3.9
211.08418	0.7
220.09770	1.6
222.07652	0.9
232.06094	3.9
234.07573	5.8
237.09998	0.5
238.10756	1.0
248.09283	3.2
250.07126	10.0
252.08684	2.2
254.06642	0.9
260.05457	0.6
264.08682	18.6
264.11484	1.2
266.10251	54.1
267.10611	0.6
278.06668	0.9
292.08163	2.2
296.07620	2.6
310.09207	35.7
326.12308	1.9
330.26395	0.5
352.10471	0.6
370.11270	1.3
433.81073	0.6
446.14471	1.5
450.48608	0.7
478.16534	0.8
506.16589	100.0
507.16922	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03951	1.8
55.01848	0.3
57.03451	1.7
58.99590	2.1
61.01156	22.3
69.21016	2.4
69.21423	0.9
72.00368	0.5
74.99074	2.3
75.02703	3.0
77.00626	2.2
85.01144	1.9
85.02911	7.5
86.99036	0.3
87.02699	37.2
89.04257	1.6
91.02161	0.9
91.05487	3.1
93.07052	4.4
95.04958	1.0
98.20773	0.5
103.04882	0.4
103.05489	3.4
105.00095	3.4
105.03751	4.5
105.04475	0.4
110.80526	0.3
111.55563	0.3
115.02164	0.6
121.06514	17.6
133.03198	100.0
144.04454	0.5
146.06001	0.6
162.05553	0.4
173.77592	0.4
176.07088	1.1
178.08646	3.3
204.06641	0.9
210.11212	0.5
222.07619	3.8
224.11288	0.3
271.18652	0.3
306.99011	0.4
308.09543	0.5
310.11096	0.7
322.07388	0.4
336.09000	1.7
354.10083	25.0
368.11679	1.0
374.15939	2.8
474.15814	1.9
506.18484	72.9
507.18246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
64.40002	0.5
71.20319	1.1
76.70015	0.5
91.05492	3.5
93.07058	5.7
95.04972	0.9
103.05467	3.4
106.06564	0.7
120.05734	2.6
120.08129	0.7
121.06509	20.4
121.08901	0.6
125.06020	0.7
146.06053	0.6
148.07607	1.2
152.07045	1.4
155.01295	0.6
156.72964	0.6
163.03912	1.6
164.07079	2.8
164.10692	2.6
165.11497	7.6
178.08713	2.2
179.09460	0.9
180.06590	0.6
180.10196	13.6
183.06508	0.6
191.09438	1.7
192.10153	0.8
193.10960	0.6
195.08827	0.9
197.10449	5.3
206.08177	2.3
208.09697	16.1
210.07698	1.6
218.08179	1.0
220.09807	1.7
222.11269	18.5
223.08748	4.3
223.12045	29.6
224.12749	1.8
234.11169	1.0
235.08455	2.1
246.11339	1.3
246.14915	0.7
249.10002	6.0
250.10704	3.6
252.08871	1.2
260.09106	0.6
264.12244	0.9
266.10364	0.9
267.11142	1.8
268.11755	3.5
282.09952	0.5
282.13480	2.1
288.09024	0.6
294.09839	1.1
308.11356	2.4
312.10941	1.0
326.12289	3.4
342.15494	2.7
354.11951	2.6
368.13452	7.5
386.14554	3.2
387.16638	0.6
446.18094	1.5
506.20273	100.0
507.20694	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50754	0.7
53.03957	0.9
55.01857	0.7
57.03440	20.1
60.04521	0.8
60.57368	0.7
61.02930	4.7
64.39259	0.8
65.64436	0.6
69.03435	16.5
69.66840	4.0
71.01346	2.2
72.93793	0.6
73.02921	38.6
79.05487	1.5
81.03419	2.2
85.02428	1.2
85.02913	22.8
87.04466	1.5
96.04488	0.9
97.02897	27.1
98.21474	1.4
99.04452	1.0
103.03959	0.7
103.05477	9.2
105.07034	2.2
107.04955	10.6
109.02856	1.8
113.39124	0.6
115.03941	20.0
121.06509	5.0
127.03917	6.9
131.04930	2.7
132.06607	0.6
133.04956	3.3
135.08080	8.3
137.05992	1.1
139.03915	4.3
144.06613	4.5
145.04951	7.2
148.05249	0.8
150.07645	1.4
150.09116	0.9
151.09930	0.7
154.06258	40.2
159.39813	0.7
162.07639	3.2
163.01917	0.7
163.03902	1.0
163.06143	1.7
163.07544	30.8
164.07086	3.5
165.05461	1.1
167.07056	1.2
179.66679	0.7
180.07629	1.6
180.08881	1.3
195.10181	100.0
223.06090	1.5
234.08188	0.8
241.07028	1.3
259.08148	1.5
294.11838	1.5
504.65164	0.9
506.18872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05517	5.7
57.03438	0.9
57.07074	0.7
61.02932	0.4
65.03947	0.6
67.05515	6.4
69.03440	1.2
69.07076	15.4
71.57803	0.3
73.02941	2.4
78.10390	0.3
79.05505	4.6
81.07067	5.9
83.08632	6.3
85.02915	1.6
87.04502	0.6
87.28149	0.3
91.05478	3.7
93.07059	13.9
94.88203	0.3
95.04981	1.0
95.08618	76.0
97.02923	1.6
97.10178	1.0
103.05471	0.5
105.07047	4.5
107.08606	31.4
109.02856	0.3
109.06560	0.4
109.10170	13.6
109.10929	0.7
115.03919	1.6
118.06601	0.4
119.04937	0.3
119.08577	1.0
121.06532	3.3
121.10159	57.4
122.06863	0.9
122.10946	1.6
123.04415	0.5
123.08091	0.6
123.11711	0.8
127.03905	0.6
127.47962	0.3
131.38516	0.3
133.04982	0.8
133.07639	0.6
133.10115	0.5
135.11716	8.7
143.04674	1.0
144.05026	0.8
145.05063	0.3
149.13271	4.7
150.07658	0.7
164.07121	0.7
177.16406	100.0
178.16743	0.7
204.36684	0.3
290.09247	0.3
295.10217	0.6
354.08893	0.4
361.98798	0.3
415.71240	0.5
442.12009	0.4
446.15353	1.7
474.14545	3.5
506.17264	5.8
506.33810	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89444	0.6
55.05510	3.5
57.03424	0.6
57.07070	0.7
67.05499	3.7
69.07073	16.2
69.31847	6.0
69.32243	1.2
79.05489	4.0
81.07052	3.7
83.08620	4.6
91.05477	2.8
92.01531	0.6
93.07054	11.6
95.08613	30.5
98.21459	1.2
105.07026	2.2
105.59805	0.7
107.08609	23.4
109.10159	9.2
119.08607	0.7
121.10152	44.8
135.11696	6.7
136.54587	0.6
149.13264	3.2
177.16399	100.0
227.58519	0.6
351.76016	0.7
510.35184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
56.05035	0.5
58.06361	0.2
58.06620	0.4
60.08165	6.7
60.08472	0.3
67.05510	0.8
69.07068	0.4
71.07381	2.8
77.49039	0.2
79.05499	0.5
81.07061	0.6
86.09709	29.3
87.13292	0.2
91.05491	0.4
93.07039	0.5
95.04983	0.2
95.08610	0.6
97.87527	0.2
98.98469	2.8
104.10746	3.0
105.07028	0.4
107.08638	0.2
109.10146	0.3
121.05744	0.2
121.06477	0.9
125.00008	20.9
126.85544	0.2
184.07347	100.0
323.25687	0.2
326.13855	0.3
364.07999	0.2
393.16302	0.2
432.19861	0.2
488.31226	1.6
506.32523	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	506.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85618	1.7
53.03946	8.2
54.48245	1.6
55.01861	4.9
55.05515	10.5
57.07066	6.2
58.04228	2.3
58.75042	1.6
61.67060	1.6
64.71284	1.6
65.03940	3.4
67.05514	17.7
69.07063	8.0
69.39531	5.8
69.39957	8.7
71.05004	8.4
71.08631	2.6
79.05127	2.4
79.05503	25.1
81.03415	7.8
81.07062	57.5
83.04984	6.4
83.08611	7.2
83.73280	1.7
84.08130	2.2
85.06542	15.1
91.05486	35.2
92.06274	2.3
92.34871	2.0
93.07050	100.0
95.04984	8.3
95.08055	2.5
95.08615	28.1
97.06527	4.6
97.10159	4.2
98.20768	4.0
99.04450	8.8
103.05462	2.8
105.04500	2.8
105.07032	44.4
107.08595	47.4
109.06519	10.8
109.10163	12.1
110.09723	8.6
111.08108	8.7
117.07012	4.8
119.08583	26.0
121.10162	28.2
123.08078	2.9
123.11722	3.7
125.09605	3.6
129.06982	3.4
131.08611	9.2
132.09274	2.0
133.10135	37.6
134.00206	1.6
135.11673	11.4
135.22853	1.6
139.11223	4.2
144.09340	2.3
145.10127	10.1
147.11667	10.3
149.09636	2.6
149.13261	4.3
150.10347	2.4
151.11201	15.6
157.10139	2.1
159.11694	12.1
161.13269	15.5
163.14809	3.5
167.10716	3.5
168.13869	15.2
169.12225	1.7
171.11758	2.6
173.13249	4.3
175.14847	9.2
177.12816	2.6
185.13254	2.4
187.14999	2.0
190.98079	1.7
193.12227	3.0
201.16473	2.7
214.89487	1.9
216.11566	1.6
227.17888	2.9
276.12643	1.8
304.26459	12.5
506.39459	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	506.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
53.95591	1.5
55.01888	2.1
55.05515	17.1
56.05814	2.4
57.03431	1.7
57.07078	7.6
58.04233	2.2
58.07344	1.9
59.05006	2.3
65.03947	2.9
67.05511	32.0
69.07079	13.9
71.04989	10.1
71.25766	2.8
71.26083	1.8
79.05502	38.8
81.03410	4.9
81.07065	71.8
82.07400	2.7
83.04970	5.8
83.08617	7.0
84.08168	1.9
85.06552	22.6
91.05487	38.1
92.06289	2.9
93.07056	100.0
95.04966	13.7
95.08616	37.7
97.06538	6.7
97.10190	4.2
99.04478	6.5
99.08134	2.4
103.05449	1.7
105.04562	4.3
105.07040	54.4
107.08605	49.4
109.06536	13.2
109.10171	19.9
110.09675	8.3
111.08077	8.2
117.07049	6.4
119.08592	34.9
121.10147	33.3
123.08080	5.1
123.11707	8.3
125.09653	4.9
127.07556	2.4
129.07047	4.2
131.08585	11.9
133.10147	37.4
135.08093	3.8
135.11696	11.9
139.11191	2.5
143.08556	3.9
145.10133	15.5
147.11716	9.4
149.09662	4.0
149.13268	8.8
150.10428	4.6
151.11223	16.3
157.10161	4.6
159.11719	16.8
161.13264	29.0
163.14842	5.0
167.10732	3.1
168.13855	9.7
168.23125	1.6
171.11708	3.2
173.13255	4.7
175.14848	7.3
177.12744	3.5
187.14967	2.6
193.12297	2.5
199.14856	3.9
201.16473	8.0
201.18050	1.7
227.18004	2.1
236.20151	4.5
236.23759	1.8
249.24989	1.7
304.26428	6.6
327.82495	1.7
353.18542	1.6
501.74255	2.0
506.39716	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	507.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45451	2.5
69.37083	21.6
71.10995	2.6
74.91550	2.9
79.05490	2.8
81.07059	4.7
82.66336	2.5
91.05478	3.0
93.07047	3.3
95.08622	3.4
102.08043	2.5
109.10193	2.8
121.06545	4.1
121.10176	2.9
137.05997	6.4
147.31990	2.6
289.90253	2.6
388.85602	2.9
458.60535	2.3
474.40781	3.1
507.05136	4.9
507.12747	100.0
507.20712	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71687	2.7
68.81644	3.0
69.07069	4.5
70.09037	11.7
81.07042	6.0
83.80429	3.7
87.04472	34.9
88.04820	8.5
89.04911	5.5
91.05479	7.9
93.07051	4.1
95.08566	4.8
98.20774	4.3
99.18972	3.1
103.05497	3.4
107.08615	3.7
119.04976	3.6
121.06487	7.8
121.10096	3.8
135.07983	3.5
137.05969	13.5
165.09142	12.2
166.04971	5.0
167.05397	3.6
180.06569	42.5
181.06924	32.7
182.07130	15.6
183.07396	5.9
185.25165	3.0
195.67886	3.1
215.45464	3.2
222.07599	5.1
223.08023	6.2
224.08087	4.3
266.10245	7.3
267.10513	9.8
268.10889	12.6
269.11124	9.5
308.11282	20.1
309.11554	37.1
310.11835	47.5
311.12186	51.4
317.58792	3.8
341.52292	3.0
432.16266	3.2
433.15948	16.3
507.12735	100.0
507.19849	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	507.1502
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
53.03940	1.0
55.11985	0.6
64.53791	0.6
65.03930	1.5
67.05501	1.0
68.99786	1.7
69.03431	3.2
70.69286	1.6
70.69640	1.3
79.05485	2.2
80.80003	0.6
80.80516	0.6
81.03411	2.0
85.02886	2.1
89.03911	3.4
91.05491	3.9
93.03398	1.0
93.07024	1.3
95.04974	2.7
97.02885	6.5
99.04489	0.7
103.05475	0.9
107.04954	2.6
109.02912	0.8
110.03640	1.8
111.04456	2.5
117.03390	7.9
119.04907	1.3
121.06519	7.0
122.06826	1.9
123.04453	6.5
125.06004	25.1
135.04428	14.3
137.06000	8.5
139.03891	2.1
145.02849	12.5
149.05981	1.2
151.03915	8.1
152.04694	7.7
153.05478	41.1
163.03914	100.0
165.05482	8.2
167.07050	28.2
181.04970	2.0
183.06538	56.7
184.07275	1.2
252.08662	1.3
253.09015	1.4
282.09769	1.0
283.09979	1.2
307.08047	1.4
325.09125	10.3
352.16711	0.6
368.09729	0.9
369.10464	1.2
507.16760	10.4
532.27362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
63.02376	0.4
69.03416	0.6
69.37673	1.9
69.38008	0.2
70.06636	0.2
73.02919	0.3
79.05503	1.4
81.03435	1.6
85.02909	1.4
89.03922	7.4
91.05482	1.6
93.07056	0.6
94.82082	0.2
95.04971	0.5
97.02901	0.9
99.04491	0.3
107.04972	2.3
109.02870	0.9
109.06485	0.2
110.56571	0.2
110.93485	0.3
111.04462	0.6
112.73860	0.2
117.03388	9.9
119.04897	0.4
119.08532	0.4
121.06516	1.1
121.10172	0.5
123.04439	1.1
125.06001	4.1
127.03905	0.3
131.04939	0.5
133.02867	0.2
133.47421	0.2
135.04427	18.7
137.05988	3.1
138.84299	0.2
139.03897	0.4
140.60474	0.2
142.08687	0.2
145.02858	13.8
145.03848	0.5
149.05998	0.5
149.09608	0.3
151.03906	1.7
152.04684	1.8
153.05470	6.6
160.42482	0.2
161.05983	0.3
163.03914	100.0
164.04294	0.5
165.05499	2.7
167.07050	8.5
175.07506	0.2
177.05502	0.4
181.05002	1.9
183.04910	0.5
183.06541	10.4
186.05553	0.3
191.07051	0.2
201.09116	0.2
268.08197	0.5
269.08444	0.3
307.08112	1.9
310.09219	0.4
311.09476	0.7
325.09213	1.2
327.15570	0.2
346.86975	0.2
507.19510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
63.02392	0.5
69.03426	1.1
69.47948	2.3
79.05491	1.6
81.03432	2.1
81.07066	0.4
85.02914	1.6
89.03405	0.5
89.03924	7.7
91.05481	1.9
95.04960	0.7
97.02857	0.8
103.05512	0.5
107.04977	2.7
109.02880	1.0
117.03391	8.9
119.04964	0.7
121.06539	2.1
123.04411	1.1
125.06014	3.5
131.04935	0.6
133.02864	0.6
135.04428	17.5
137.05975	4.4
138.06273	0.4
139.03893	0.4
145.02852	12.2
145.03992	0.6
149.05977	0.4
151.03935	1.7
152.04668	1.6
153.05501	6.9
163.03917	100.0
164.04356	0.6
165.05490	2.4
167.07039	8.8
167.08411	0.6
177.05472	0.5
179.06914	0.4
181.05025	2.0
183.06538	9.7
183.08046	0.6
186.05392	0.4
269.08636	0.4
292.58917	0.4
307.08099	2.0
310.08859	0.4
311.09460	0.4
325.09399	1.6
418.14313	0.5
507.19366	0.7
514.11755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01883	0.3
57.44025	0.3
61.01149	1.3
69.03419	0.8
69.61382	2.1
71.38706	0.3
77.03941	0.5
79.05486	0.4
80.05641	0.3
81.03430	0.7
81.07062	0.5
85.02914	1.9
87.02674	1.7
91.05482	4.6
93.07052	6.4
95.04966	1.9
95.08580	0.4
103.05473	4.6
105.04523	0.7
106.59775	0.3
109.02921	0.6
121.06512	100.0
122.06853	0.5
127.03930	0.7
133.03191	3.8
133.06480	0.5
134.03496	0.4
145.06467	0.7
151.03912	3.5
152.30972	0.3
163.07578	0.8
165.05482	9.9
184.27570	0.3
271.09787	0.6
283.11826	1.1
295.07852	0.5
327.25381	0.6
335.40634	0.3
354.10022	0.5
355.10391	1.1
433.15152	1.2
459.52133	0.3
475.16165	1.3
507.18723	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	507.2232
Annotation	[3R-(3a,4b,5a,5aa,6a,9b,9aa,10R*)]-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-Methano-1-benzoxepin-4,5,6,9,10-pentol 5-acetate 6-benzoate
Peak:m/z	Relative Intensity
50.01607	1.0
53.03946	1.8
55.01869	1.3
55.05500	1.2
56.96580	1.3
67.05503	1.6
69.03423	5.2
70.91674	1.5
71.04993	15.3
74.62035	0.9
79.05492	2.9
81.03421	4.5
81.07042	2.9
85.02914	3.6
91.05479	11.9
93.07035	6.7
95.04962	1.6
95.08612	4.0
97.02882	1.6
99.04461	46.7
103.05482	3.6
105.07036	77.8
107.04972	1.1
107.08612	2.4
109.02862	1.2
109.06538	1.2
109.10147	1.5
117.07001	1.8
119.04965	2.5
119.06161	0.9
119.08630	4.8
121.06523	21.0
121.10129	1.8
122.06860	1.6
123.04437	2.5
123.08061	7.8
127.03950	1.3
128.06232	3.0
131.08585	2.9
133.06491	11.2
133.10138	46.1
137.05927	1.5
143.08591	3.7
145.06526	2.1
145.10126	2.4
146.07266	6.4
147.04430	1.3
147.08098	1.7
151.07570	4.7
151.11192	2.3
156.45404	1.0
159.08107	1.8
161.09630	100.0
163.03894	5.4
163.07481	1.2
163.11195	16.6
164.07094	5.0
174.06792	1.2
179.09085	2.3
179.10684	47.3
189.09126	13.7
207.10161	14.9
225.11320	1.6
259.05237	0.9
281.04602	1.2
328.11877	3.4
351.10602	1.2
351.14291	5.8
369.15402	13.6
507.21606	1.8
507.29123	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05513	7.8
57.03443	7.8
57.07065	1.4
61.74723	0.6
63.32435	0.6
65.03944	1.3
67.05510	30.8
68.45724	0.7
69.07067	6.8
70.87085	2.1
79.05061	1.4
79.05499	16.8
80.97646	0.6
81.07063	27.8
83.04979	0.9
83.08647	3.4
85.06594	0.8
91.05478	8.4
93.06467	1.4
93.07053	20.8
95.04985	1.3
95.08606	23.7
97.06521	1.3
97.10174	1.3
98.20761	0.7
98.98471	22.8
105.07030	6.9
107.08607	9.7
109.10151	8.7
109.72497	0.6
117.07050	1.9
119.08587	5.5
121.10162	8.3
123.11700	2.5
131.08588	2.9
133.10132	3.1
135.11702	4.0
137.13332	0.9
145.10126	1.9
147.11729	1.7
149.13228	2.0
155.01028	2.0
159.11717	2.2
161.13257	1.4
173.02145	3.7
173.13216	1.5
243.21046	1.5
261.22150	3.5
286.18225	0.8
317.24670	2.3
335.25818	100.0
336.26135	1.4
448.21326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05515	3.0
57.03429	0.6
57.07068	1.0
59.04993	0.7
65.03933	0.5
67.05511	8.6
69.03430	1.9
69.07066	4.1
69.80221	2.3
71.04993	0.8
73.85309	0.4
78.21141	0.5
79.05485	3.8
81.07064	13.6
83.04974	1.9
83.08629	1.2
85.02869	1.1
85.06534	0.9
91.05483	3.9
93.07058	8.3
95.04967	1.6
95.08614	14.1
97.02889	0.5
97.06532	1.0
97.10185	0.8
101.06020	2.1
103.05476	2.3
104.05807	0.6
105.07033	5.5
107.08595	5.6
109.06535	0.9
109.10165	16.0
111.08087	1.3
111.11749	1.1
113.06008	0.6
113.09653	1.1
117.07028	0.7
119.04955	0.5
119.08601	6.0
121.06510	11.8
121.10155	5.7
122.06775	2.5
123.04478	1.2
123.08072	1.3
123.11723	5.2
125.06022	1.2
125.09615	0.9
129.09129	1.1
131.04955	1.6
131.08621	1.4
133.10112	3.8
135.08080	2.7
135.11714	2.8
137.09631	12.5
137.13243	0.6
139.07550	1.3
139.11205	2.0
145.10136	1.7
147.08018	1.0
147.11693	2.0
149.09625	7.9
149.13280	1.4
151.07584	1.6
151.11217	0.9
153.05457	0.7
155.10667	1.1
157.08646	0.8
157.10130	1.2
157.12215	1.0
159.11696	2.0
160.08910	0.6
161.09650	1.4
161.13293	1.6
163.03917	1.9
163.11220	2.2
163.14824	0.7
164.07086	1.0
165.09132	100.0
166.09476	0.9
167.10699	0.5
169.10196	0.6
171.11674	1.0
173.09666	1.1
173.11737	1.0
173.13196	0.6
175.07582	1.2
175.11203	2.7
176.08388	0.7
177.09125	4.1
177.12766	0.7
179.10712	2.1
183.11775	0.8
185.11723	1.2
185.13278	0.6
187.11200	2.5
187.13214	0.9
187.14798	0.7
189.09132	2.8
189.12775	1.6
189.16393	0.7
190.09874	2.0
191.10684	4.3
199.11180	1.2
199.14909	0.7
201.11156	0.8
201.12793	1.2
203.10693	7.2
203.14218	0.8
203.17995	0.8
205.12271	16.5
207.10185	1.3
207.13756	1.1
216.11377	0.6
217.12276	2.8
217.15659	0.6
219.13927	0.9
221.11800	1.1
225.12758	0.6
227.14391	1.1
229.12244	1.5
231.13870	1.4
235.13350	1.7
243.13799	1.9
245.15457	1.6
253.18077	0.9
259.16843	0.5
271.19324	0.6
273.22159	0.6
281.19046	0.7
287.20099	2.8
291.30988	0.4
296.46042	0.5
296.54163	0.5
299.20023	0.8
305.73755	0.5
307.22781	0.7
311.23703	0.6
314.41217	0.6
315.19641	0.6
319.22556	1.0
326.13910	4.1
327.14175	6.8
328.11810	1.4
333.17227	0.5
337.24115	0.5
407.29718	0.6
415.28281	0.9
425.30548	1.9
433.18375	1.0
443.31564	2.1
453.29904	0.8
471.31155	2.6
475.60229	0.5
489.32101	2.1
507.28793	0.7
530.75079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.05518	17.7
55.58416	2.7
57.07063	10.3
59.04996	3.7
65.03941	2.7
67.05507	22.4
69.03433	4.1
69.07069	55.6
69.63628	14.6
71.08611	3.2
72.08150	4.3
72.33926	2.6
74.09719	30.1
79.05488	13.9
79.28408	2.7
81.07061	92.7
83.08623	17.2
85.02897	5.5
85.06539	9.7
91.05483	23.3
93.07037	25.5
95.08612	53.6
97.02882	4.8
97.06520	5.3
97.10159	5.9
98.21479	5.1
98.97546	2.5
99.08093	3.9
103.05462	8.1
105.04507	3.1
105.07045	9.5
107.08597	27.6
109.10158	30.9
111.08078	7.8
111.11714	16.6
113.09682	2.8
119.04956	14.0
119.08570	8.9
121.06516	46.6
121.10146	15.2
123.11713	100.0
125.13254	4.4
127.11208	6.0
131.04930	3.0
135.11722	14.5
135.12572	2.8
136.78874	2.4
137.05968	14.4
137.09558	3.6
137.13240	10.3
147.04422	54.5
147.11700	7.5
149.13268	22.4
151.03882	4.0
151.14842	3.8
153.12787	23.4
155.14317	8.8
155.35397	2.5
161.13237	3.2
163.03885	4.1
163.14813	9.4
167.07086	3.2
167.14326	3.8
168.13899	3.6
171.13837	7.4
177.05531	4.6
177.16588	3.8
180.06590	3.2
181.05002	4.2
196.13307	3.0
216.21439	2.6
217.19421	3.0
222.07571	2.5
239.23697	2.5
254.90729	2.5
273.25775	8.3
279.26868	6.9
291.26791	17.8
297.27899	15.3
298.64175	2.4
309.24637	4.4
309.27875	41.2
327.29001	8.8
372.59775	2.6
507.15643	4.2
507.22345	18.4
507.29355	7.6
507.39734	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
53.52266	1.3
55.05503	9.0
57.07087	8.8
59.05015	2.0
67.05510	17.0
69.03413	1.7
69.07075	47.3
69.77023	7.6
71.04996	2.4
79.05498	7.2
81.07062	80.0
83.05006	1.9
83.08635	15.6
85.02911	3.7
85.06538	8.6
91.05476	4.7
93.07046	19.3
95.04991	2.1
95.08612	35.1
97.06550	5.2
97.10172	3.2
99.08128	3.2
103.05450	2.1
105.07033	5.4
107.08611	18.4
109.10162	28.5
111.08076	5.7
111.11725	17.0
112.08791	1.5
119.04932	1.6
119.08575	3.8
121.06497	8.3
121.10136	10.2
123.11718	100.0
125.13277	2.5
127.11180	4.4
131.04955	3.0
135.11685	15.7
137.06001	6.5
137.13278	13.5
139.11154	1.4
147.04427	6.1
147.11684	3.0
149.13304	9.5
151.14821	2.2
153.12762	25.3
155.14314	12.0
161.13271	2.2
163.03894	1.9
163.14827	7.9
165.05457	3.6
167.14421	2.1
170.92831	1.3
171.13789	6.1
175.07591	2.2
177.16389	4.0
201.16487	1.7
217.19490	2.6
273.25729	5.9
279.26889	3.3
283.09695	3.1
288.77905	1.6
291.26822	16.4
297.27878	14.0
309.27869	38.7
327.28934	6.4
507.12762	2.6
507.21988	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	508.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
54.01089	0.4
64.96593	0.4
65.03924	0.6
65.35485	0.4
67.05483	0.6
67.34951	0.4
69.03422	0.7
71.56405	0.5
71.56763	0.5
77.03917	0.6
77.30304	0.4
79.05457	0.7
81.07051	0.7
84.08151	0.6
85.02917	0.8
86.09733	0.7
91.05483	8.3
93.07048	4.3
95.04976	15.2
97.02924	0.7
103.05468	4.5
105.04507	0.6
105.05774	0.6
105.07040	1.0
109.06541	0.7
119.04951	33.1
121.06514	23.0
122.06033	0.8
122.06835	2.0
123.04436	51.5
123.82478	0.4
137.05980	1.5
147.04422	22.6
150.05505	6.6
153.05486	1.6
157.98669	0.4
159.08131	0.5
163.03929	1.3
164.07077	85.4
165.05490	21.5
165.07773	1.4
165.09138	0.4
166.08649	1.1
178.08585	0.5
184.07298	1.3
227.01958	0.4
248.09224	0.5
270.11325	2.5
299.44019	0.5
302.14163	0.5
314.10254	1.3
328.11810	100.0
329.12543	1.1
388.13940	0.9
434.16013	16.5
466.18414	1.0
508.19675	1.7
508.39185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
53.03942	1.1
63.56144	0.4
67.05515	0.7
67.92226	0.4
69.07071	1.0
69.67916	1.9
79.05518	0.4
91.05489	7.9
93.07050	3.8
95.04364	0.8
95.04976	16.1
95.08611	2.5
96.08953	0.9
98.21181	1.3
98.97594	0.6
100.93394	0.5
103.05469	4.2
105.04530	0.9
105.05780	0.4
107.04984	0.4
107.08619	0.9
109.06512	0.6
109.10136	0.5
119.04952	34.6
121.06515	18.8
121.10163	1.9
122.06026	0.7
122.10509	0.5
123.04437	54.2
137.05988	1.3
147.04419	22.8
150.05511	6.4
164.07077	90.7
165.05493	22.6
165.07697	1.1
166.08597	1.0
177.16362	2.8
178.16747	1.2
179.17096	0.6
183.86163	0.4
194.66498	0.4
231.62033	0.4
242.23309	0.4
270.11340	2.8
289.25635	0.4
314.10239	1.6
328.11813	100.0
329.12097	1.0
421.15271	0.5
434.16016	17.5
440.53937	0.4
466.18719	1.0
508.19620	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32154	0.4
53.03949	1.2
56.29733	0.4
64.95350	0.5
71.47832	0.8
91.05486	8.3
93.07048	3.0
95.04973	16.0
103.05479	3.9
105.04527	0.9
105.35227	0.5
109.06493	1.3
119.04956	35.6
121.06512	17.7
123.04436	58.6
129.16579	0.5
137.05951	0.7
147.03217	0.9
147.04417	23.7
150.05531	8.1
164.07079	93.1
165.05489	24.7
165.07698	1.2
166.08641	1.0
231.38266	0.5
270.11243	2.2
314.10449	0.9
328.11810	100.0
329.12219	0.9
434.16022	18.1
466.18814	0.9
508.19696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05527	0.5
58.42270	0.6
65.03924	1.3
69.03418	0.8
71.56189	0.8
71.56591	0.8
73.02927	0.6
79.05061	0.9
79.05501	13.8
81.03429	0.6
87.04469	2.1
91.05491	7.9
93.07074	3.0
95.04969	6.4
98.97601	0.7
103.05476	54.1
105.07010	2.5
107.04961	25.4
119.04951	14.8
120.08031	0.7
121.06515	16.3
123.04446	21.4
131.04939	26.6
135.04572	0.6
137.05986	8.9
137.09630	0.8
145.93240	0.5
147.04419	9.2
148.79742	0.6
149.06023	2.9
150.05544	6.3
151.07561	1.4
153.05443	5.5
163.03905	3.7
164.07080	77.2
165.05476	7.0
165.09056	1.0
166.08659	0.8
175.07599	0.6
176.10802	0.7
183.06657	0.7
184.07259	2.8
194.05101	0.5
200.10692	0.8
204.75900	0.6
220.17326	0.6
222.07516	0.7
226.04889	1.2
226.08519	0.6
257.10330	0.6
258.07611	2.1
264.12357	0.7
270.11322	1.0
284.12781	0.7
287.03729	1.3
288.09418	0.9
289.05219	0.9
298.10794	5.7
302.13913	1.3
312.12317	100.0
313.12781	0.9
314.10071	1.1
325.09235	0.9
328.11813	40.0
333.04880	0.6
344.11298	1.2
352.15573	1.4
358.31848	0.5
370.16464	0.7
388.17392	1.7
434.16043	22.9
454.78540	0.7
464.16934	1.2
466.18619	1.2
491.22397	0.7
508.23563	14.6
509.23553	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	508.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
52.39999	0.5
53.03944	2.4
53.08936	0.5
69.07064	0.7
71.58559	0.7
73.26664	0.6
73.87262	0.5
79.05503	4.4
80.70231	0.6
91.05479	9.6
93.07046	10.9
95.04971	2.7
95.08596	1.1
97.02879	0.9
103.05474	24.7
105.04498	1.1
105.07029	0.9
107.04956	6.2
109.10159	0.9
117.07047	0.9
118.06527	0.7
119.08598	1.1
120.04459	1.2
120.08080	1.0
121.02884	2.3
121.06506	100.0
129.06955	0.6
130.06529	3.5
131.04921	5.9
137.06012	0.6
144.08116	1.4
145.06482	0.7
146.05968	0.6
148.03923	3.8
152.07208	0.6
158.88721	0.5
164.37952	0.5
166.05081	1.1
172.07545	2.7
174.05493	5.3
176.07060	1.9
177.05501	0.7
180.06573	8.4
181.21605	0.5
202.19118	0.6
211.17134	0.6
218.08124	2.1
218.18547	0.6
222.09262	0.9
250.08659	0.9
262.06885	0.8
296.09131	0.8
314.10226	15.5
315.10419	0.6
328.11804	36.4
356.11267	17.7
434.15988	6.8
476.16992	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
67.05521	0.4
69.07079	0.7
69.36729	3.0
69.37134	0.6
71.92989	0.4
72.29199	0.4
77.03974	0.6
79.05495	16.4
81.07084	1.0
85.02941	0.5
85.48316	0.4
88.07633	1.1
88.11273	0.6
91.05488	2.9
93.07050	3.6
95.04979	1.6
95.08597	0.7
97.02902	0.5
97.77998	0.4
103.05472	52.5
105.07033	1.9
107.04958	23.0
107.08553	0.8
109.10130	0.6
120.04444	0.8
120.08123	0.5
121.06509	20.1
122.06860	0.5
123.75591	0.4
131.04938	23.9
134.99716	0.5
137.05981	1.5
147.11687	0.6
148.03995	1.1
149.06029	2.5
151.06299	1.3
152.07060	3.2
163.03958	0.5
164.07043	0.8
166.04973	3.1
167.06973	0.5
174.05528	0.5
180.06564	33.7
218.08124	0.5
286.10522	0.5
312.12302	1.0
314.10223	6.9
328.11804	100.0
329.12079	1.3
356.11267	1.9
390.63315	0.4
391.83795	0.4
434.16119	13.6
448.24246	0.8
508.21808	1.6
508.29568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.8
61.02926	2.4
69.03429	2.4
70.81641	1.8
71.04987	5.4
77.03951	1.0
79.05513	1.3
81.03405	2.4
83.04960	1.1
85.02910	19.1
87.04481	1.7
91.05492	2.5
94.65446	1.0
95.04985	1.3
97.02899	3.3
107.04975	2.0
109.06519	1.4
111.04430	4.0
119.04952	2.3
121.06558	1.3
122.03572	1.1
123.04445	8.2
125.06000	18.1
125.06859	1.6
125.81701	1.1
127.03912	2.4
135.04402	5.0
137.05989	18.6
139.03903	6.7
145.04977	3.6
146.94215	0.9
151.03909	15.1
151.05017	1.2
152.04694	4.7
153.05472	50.9
163.03931	5.1
164.04291	2.1
165.05486	49.1
167.07047	42.4
167.95213	1.2
183.06541	100.0
213.09076	2.6
345.11856	7.1
392.06488	1.0
400.32666	1.0
440.93106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
55.01866	7.9
55.05511	10.3
57.03441	21.1
57.07072	2.7
61.02931	12.7
62.40366	1.9
65.60211	2.1
67.05518	11.9
69.03082	3.2
69.03436	57.0
69.07053	8.7
71.01364	6.5
71.02073	3.7
73.02924	66.2
78.46002	2.1
79.05476	6.0
81.03403	9.1
81.07072	28.5
82.66490	1.8
83.08617	14.3
85.02909	100.0
87.04455	9.7
91.05486	11.2
93.07027	6.0
95.04993	13.7
95.08608	41.5
97.02895	78.5
97.10171	22.0
98.97581	2.2
99.04477	4.2
100.17226	2.6
103.03961	3.0
103.05450	9.6
107.04944	4.1
107.08566	3.0
109.02864	7.5
109.10159	46.6
115.03951	41.6
115.11203	8.1
119.04955	24.6
119.08519	2.5
121.06517	28.8
123.04456	37.1
123.10821	3.5
123.11713	60.6
127.03932	32.0
133.04979	45.3
137.13246	22.5
139.14781	2.7
145.04968	40.7
147.04413	13.4
147.05360	2.2
150.05501	3.6
150.07632	7.8
153.05428	3.6
163.06029	14.7
164.07083	62.9
165.05519	16.1
177.16269	3.2
178.08534	3.1
179.17960	39.8
197.19025	98.4
203.05461	2.5
205.76292	2.2
223.06096	9.2
241.07068	9.0
259.08221	14.2
277.09192	3.3
295.10181	4.5
305.21164	2.3
326.13599	2.6
328.11810	68.7
336.25403	3.1
356.78049	2.1
370.12799	4.1
434.16159	10.4
508.19830	7.2
508.29840	31.0
509.24045	4.3
509.31171	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	508.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42872	2.0
53.03945	5.0
55.05518	31.4
57.03438	8.1
57.07079	17.6
60.08159	3.0
61.02933	7.7
64.81567	1.8
67.05502	41.5
68.05868	2.8
69.06718	3.3
69.07076	48.2
70.57084	5.1
71.04983	2.7
71.07399	2.0
71.07800	2.1
71.08630	9.3
73.02931	3.2
77.61143	1.9
79.05507	22.7
81.07068	52.6
83.08626	38.9
85.02902	5.5
85.10202	3.7
86.09723	12.4
91.03957	3.3
91.05482	7.9
93.07053	28.2
95.04975	5.0
95.08614	40.4
97.02884	4.6
97.06567	10.8
97.10178	29.4
98.98476	7.4
99.08136	3.9
104.10751	11.4
105.07027	2.5
107.08604	18.5
109.10162	20.9
111.08089	8.2
111.11726	8.1
117.75187	1.9
119.04947	8.9
121.06531	4.4
121.10162	46.2
123.04447	15.4
123.11720	18.5
125.00008	9.7
125.09610	4.6
135.11696	36.9
137.13290	9.0
139.11182	5.4
147.04424	5.8
149.13283	15.4
163.14886	7.0
164.07097	26.4
165.05511	4.5
177.16377	3.0
184.07379	33.8
219.21083	51.6
219.23029	4.2
237.22159	97.0
255.23247	25.6
311.25830	100.0
328.11893	28.3
329.26886	39.6
335.25870	3.1
336.26242	11.0
434.15860	6.3
473.31180	4.7
508.33997	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	508.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07385	4.6
55.05505	14.1
57.07053	5.2
60.08136	4.1
61.82731	5.5
67.05519	30.2
69.07066	18.3
71.05000	6.9
71.57681	9.1
72.56432	5.3
79.05494	22.6
79.30228	4.8
81.07075	31.8
83.04961	5.4
83.08625	15.6
86.09746	24.0
91.05477	22.5
93.07056	57.6
95.04967	17.3
95.08644	26.5
97.06534	15.6
97.10167	12.0
98.98474	6.0
103.05445	7.9
104.10724	27.5
105.07049	27.3
107.08607	63.3
109.10178	12.5
117.07035	7.3
119.04960	31.2
119.08624	5.1
121.06500	15.9
121.10126	22.3
123.04447	55.9
125.00049	8.9
131.08630	6.4
133.06529	8.6
133.10147	8.4
135.08063	13.4
135.11720	54.7
145.10135	9.0
147.04437	17.5
149.13303	6.8
150.05426	6.4
163.03865	5.2
164.07082	77.2
165.05450	22.2
182.07530	5.3
184.07376	32.5
189.11259	5.2
211.02852	5.0
219.21111	6.6
237.22182	22.5
275.20117	12.0
293.21124	18.1
311.16730	16.3
311.25873	11.5
312.12149	6.1
328.11841	100.0
329.26938	11.6
337.27335	20.5
360.17731	8.2
360.68204	17.6
387.21219	5.8
434.15649	7.1
508.19067	8.5
508.33728	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	509.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.3
55.27989	0.3
59.05003	0.9
64.06902	0.3
65.46532	0.3
67.05511	1.0
69.07070	1.5
69.27529	2.4
69.27937	0.9
79.05509	0.3
81.07055	1.1
85.02890	0.6
93.07033	1.0
95.08604	1.6
101.00949	0.5
105.07067	0.5
107.08611	1.0
109.10181	0.9
119.04956	0.5
119.08587	0.8
121.06489	0.6
123.04485	0.6
123.11746	0.6
143.01932	0.9
145.42900	0.3
147.11729	0.5
157.03482	1.1
161.02983	0.6
164.06998	0.7
165.07491	0.6
167.03209	0.4
175.04573	0.9
185.02899	0.5
185.04292	0.6
201.03682	0.9
203.03700	0.5
203.05466	1.9
212.81306	0.3
227.05342	1.7
237.26335	0.4
243.04768	2.8
245.06415	3.9
245.18788	0.4
261.18304	2.0
271.04379	1.5
287.01245	0.3
287.03751	18.6
289.05316	31.0
328.12000	0.7
329.12244	0.8
423.23392	1.5
447.23627	2.5
465.24631	12.5
491.22580	19.0
509.23615	100.0
510.23972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07048	1.6
71.57707	1.8
71.58102	1.3
79.05488	2.7
79.29377	1.1
81.07065	1.6
91.05501	1.6
93.07062	1.5
95.04964	1.7
101.00851	2.0
101.53119	1.1
103.05443	6.9
104.05776	2.2
107.04942	3.4
119.01927	1.2
119.04940	2.4
121.06521	4.7
122.06833	1.6
123.04410	2.5
131.04922	2.3
132.05264	1.0
143.01909	2.0
147.04411	2.4
161.02968	1.9
164.07080	9.3
165.05548	1.3
165.07463	3.2
203.05428	1.6
227.05336	1.3
243.04762	4.5
245.06398	3.4
261.18292	4.6
271.04358	1.8
287.03745	38.6
289.05307	38.3
312.12283	4.2
313.12704	10.3
328.11975	3.0
329.12180	4.2
374.51862	1.1
380.55185	1.1
391.02280	1.1
414.23199	1.2
423.23428	1.5
435.16040	3.0
439.72302	1.2
447.23505	1.8
465.24576	9.8
491.22574	20.2
509.23630	100.0
510.23599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2364
Annotation	Milolide K
Peak:m/z	Relative Intensity
69.07048	1.6
71.57707	1.8
71.58102	1.3
79.05488	2.7
79.29377	1.1
81.07065	1.6
91.05501	1.6
93.07062	1.5
95.04964	1.7
101.00851	2.0
101.53119	1.1
103.05443	6.9
104.05776	2.2
107.04942	3.4
119.01927	1.2
119.04940	2.4
121.06521	4.7
122.06833	1.6
123.04410	2.5
131.04922	2.3
132.05264	1.0
143.01909	2.0
147.04411	2.4
161.02968	1.9
164.07080	9.3
165.05548	1.3
165.07463	3.2
203.05428	1.6
227.05336	1.3
243.04762	4.5
245.06398	3.4
261.18292	4.6
271.04358	1.8
287.03745	38.6
289.05307	38.3
312.12283	4.2
313.12704	10.3
328.11975	3.0
329.12180	4.2
374.51862	1.1
380.55185	1.1
391.02280	1.1
414.23199	1.2
423.23428	1.5
435.16040	3.0
439.72302	1.2
447.23505	1.8
465.24576	9.8
491.22574	20.2
509.23630	100.0
510.23599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	0.8
55.05513	11.0
57.03231	0.6
57.03440	6.4
57.07068	3.2
62.36538	0.7
65.03926	1.1
67.05506	26.1
69.06721	1.0
69.07072	13.4
70.96481	1.2
71.08638	1.4
77.57193	0.6
79.05502	7.1
81.07064	24.9
83.05009	0.8
83.08633	6.7
85.06548	0.9
85.73020	0.6
91.05482	6.5
91.80122	0.7
93.07059	7.4
95.05024	0.8
95.08614	19.3
97.06528	1.1
97.10198	3.7
98.98471	16.2
105.07019	3.1
107.08587	4.3
109.10157	6.9
111.08050	0.8
111.11752	1.2
119.08579	2.8
121.10163	2.9
123.04452	0.7
123.11716	3.0
131.08542	0.7
133.10127	2.6
135.11681	0.8
147.11691	1.8
149.13243	1.1
155.01056	2.1
161.13261	1.4
173.02136	2.3
195.00334	3.6
196.00757	1.5
197.00803	2.2
215.00107	0.9
245.22723	1.4
263.23734	2.0
313.27380	1.0
329.12021	1.7
337.27386	100.0
338.27576	1.0
346.36124	0.7
407.83008	0.7
440.67004	0.8
473.26660	1.0
509.27090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
54.61169	2.2
55.05510	19.9
57.07082	15.2
67.05508	33.0
69.03419	3.6
69.07073	60.7
69.70005	5.1
69.70421	10.5
70.06597	4.0
71.08625	5.1
74.09722	5.6
76.07668	2.3
79.05500	10.9
81.07063	95.0
82.38216	2.5
83.04959	2.9
83.08625	31.0
85.02903	9.7
85.06558	12.0
85.10201	3.1
87.49535	2.6
91.05502	8.0
93.07059	17.9
95.04937	3.0
95.08613	100.0
97.02892	3.3
97.06506	2.7
97.10169	23.6
99.08102	10.2
105.07039	6.0
107.08588	17.3
109.10159	61.6
111.08073	3.0
111.11721	18.8
113.09631	2.8
117.03363	3.2
119.04924	2.3
119.08579	6.8
121.06509	12.8
121.10157	11.4
123.11713	32.5
125.09640	4.0
125.13257	12.9
127.11200	9.8
129.12755	3.0
129.48647	2.3
131.08565	2.5
133.10081	3.9
135.11682	10.5
137.05945	13.6
137.13258	22.5
139.14807	3.4
143.14270	5.5
145.02898	9.2
147.04491	2.6
149.13257	18.2
149.43211	2.7
151.14832	32.6
153.12738	6.6
163.14836	10.0
165.05515	3.4
165.16389	11.5
167.07019	2.5
167.14275	4.3
169.15884	5.4
173.15346	2.7
177.05489	15.8
177.16345	4.6
179.17963	7.1
180.06563	4.6
189.09126	2.8
193.19530	4.2
197.18951	2.9
205.19711	3.0
219.21176	5.1
237.22136	3.0
275.27502	12.6
281.28378	10.8
286.98074	2.6
293.28348	32.5
311.29495	19.9
329.12296	2.8
329.30560	5.9
509.23709	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.05509	20.4
57.07059	11.7
67.05512	27.6
69.07079	50.8
70.30554	3.0
71.08628	6.5
71.18451	7.6
79.05476	10.7
81.07064	93.8
83.08626	37.1
85.02900	13.1
85.06542	14.6
91.05463	9.3
93.07041	16.2
95.08616	100.0
97.02908	5.3
97.10176	20.8
98.97561	3.6
99.08109	8.2
103.05485	4.1
105.07010	4.1
107.04941	5.4
107.08613	15.4
109.10165	59.1
111.11732	18.1
111.20026	3.0
121.06508	20.1
121.10120	9.6
123.11716	23.4
125.13258	11.1
127.11194	8.0
135.11685	12.2
137.06000	9.8
137.13275	16.3
143.14343	6.5
145.02838	3.8
149.13255	17.6
151.14835	29.3
153.12738	4.1
153.45647	3.0
155.14316	4.0
163.14807	7.1
165.16365	10.2
167.14340	6.0
169.15813	7.8
177.05489	7.8
180.06564	23.9
210.07611	3.8
224.09189	54.4
266.10272	65.3
275.27344	13.7
281.28409	9.8
293.28412	35.5
311.29315	16.2
329.12045	8.1
329.30499	6.6
372.14438	8.1
446.17938	9.2
449.08185	3.8
449.22925	9.9
509.12561	22.5
509.23486	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	509.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.05513	12.2
57.07071	12.7
57.18098	3.3
63.41251	3.0
67.05504	18.2
68.35786	2.6
69.03435	3.0
69.07072	37.1
69.49730	19.0
72.08143	2.8
79.05516	7.7
81.07062	64.7
83.08617	23.5
85.02895	7.7
85.06554	4.9
91.05486	8.4
93.07062	13.9
95.08614	72.5
97.10191	12.0
99.08099	4.9
105.07041	6.5
107.08581	16.8
109.10168	41.8
111.11745	17.3
119.08578	5.2
121.06490	13.9
121.10164	10.5
123.11695	25.7
125.13289	8.5
133.10197	4.9
134.87546	3.2
135.11687	4.2
137.05988	11.6
137.13257	20.4
145.02921	5.4
145.10158	4.1
147.11673	4.2
149.13284	21.4
151.14857	10.9
153.16397	3.2
155.14337	4.7
163.14859	5.5
165.09102	3.1
165.16414	4.8
167.07146	3.7
167.14325	11.7
169.15862	3.6
177.05502	8.8
179.17995	6.3
181.07045	3.0
193.19553	4.2
245.06528	5.0
275.27353	7.0
281.28275	3.4
287.03787	10.2
287.52032	2.9
289.05325	49.1
293.28357	29.2
311.29565	6.5
392.70071	3.1
401.30423	3.5
509.23663	100.0
517.35883	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	510.2127
Annotation	Hygrocin A
Peak:m/z	Relative Intensity
53.03943	0.8
55.01863	0.5
57.48950	0.4
65.03944	3.3
69.61502	2.3
69.61907	0.8
75.57983	0.4
79.05492	0.9
79.24877	0.4
81.07064	2.1
85.02905	0.7
87.88605	0.4
91.05488	52.8
93.07051	4.8
95.04977	1.0
103.05485	3.6
107.04993	0.5
109.06534	2.4
110.54559	0.4
118.06552	1.4
119.04955	24.5
121.06518	24.8
137.05984	70.8
144.04440	2.5
146.06023	6.6
148.39839	0.4
162.05551	2.0
166.29469	0.4
172.03915	1.4
176.07082	6.8
178.08652	27.4
190.05026	1.7
204.06572	6.3
210.11301	1.6
222.07631	24.9
236.09251	1.2
254.10361	0.6
312.12311	0.7
314.13864	2.2
326.10254	0.4
340.11826	1.8
342.13623	0.5
358.12875	23.4
372.14536	0.8
374.11273	0.7
374.15872	4.5
390.15421	1.0
439.12848	0.5
457.13394	0.6
478.18707	2.9
510.21277	100.0
511.21527	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2128
Annotation	Hygrocin A
Peak:m/z	Relative Intensity
51.02366	0.9
53.03954	4.2
65.03947	0.7
69.40600	4.4
70.00510	0.5
70.06608	0.6
77.03938	0.9
78.78482	0.6
81.07098	0.6
88.95287	0.5
91.05482	16.7
93.07043	19.9
95.04987	3.8
102.04684	0.6
102.52597	0.5
103.05471	14.3
104.93130	0.6
105.04509	1.4
106.90904	0.6
107.08595	0.8
118.06564	1.1
119.04926	3.4
121.06510	100.0
122.06820	0.9
123.99202	0.5
135.11699	1.1
137.05971	9.3
144.04471	2.0
146.06030	5.9
153.12701	1.2
162.05516	1.3
172.03932	1.0
176.07047	5.7
178.08644	22.3
190.05087	1.0
204.06628	5.1
210.11305	1.3
222.07605	19.9
222.79579	0.6
236.09248	0.5
238.10786	0.7
240.02431	0.8
284.15454	1.4
286.26068	0.6
324.12323	1.6
342.13373	18.8
355.16058	1.6
356.15387	0.5
358.12802	0.8
374.16159	1.3
390.15518	5.2
449.80978	0.6
478.18787	2.9
510.21265	93.5
511.21521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01862	1.4
55.05505	2.3
57.03424	1.3
59.04996	4.3
61.02922	4.1
67.05508	1.9
69.03440	6.5
69.07053	2.4
70.06598	1.9
71.04993	16.1
71.57488	1.3
71.76681	1.1
73.02903	2.4
73.06557	3.0
75.21557	1.2
79.05481	6.2
81.03420	4.4
81.07061	26.8
83.74858	1.0
84.08109	2.8
85.02907	37.6
85.57691	0.9
86.09692	2.2
87.04477	1.4
91.03935	2.1
91.05492	4.8
93.07046	16.8
95.04958	1.4
95.08591	2.6
97.02892	12.6
97.06523	2.0
99.04456	2.4
101.31684	1.0
105.07021	1.8
107.08594	15.0
109.02864	4.6
109.06512	2.6
109.10147	8.3
111.08072	3.2
115.34100	1.0
121.05767	0.9
121.06483	6.2
123.11703	12.0
127.03928	7.2
133.10130	4.7
135.11699	17.2
145.04984	16.5
145.91928	1.0
151.11192	38.7
153.12752	100.0
161.04436	2.4
163.03905	3.3
163.06070	7.5
164.04269	1.7
164.07066	1.3
164.10260	1.0
169.12283	8.1
170.70966	1.0
184.07368	0.9
210.90895	1.0
248.09215	3.1
249.09416	1.8
250.09625	1.7
266.10376	1.2
313.16336	1.4
325.11334	3.9
331.17191	1.4
463.92258	1.3
463.99765	1.0
510.23538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	0.3
55.96914	0.3
60.04452	0.3
61.02871	0.3
65.51809	0.3
66.88470	0.3
69.03338	1.0
69.03691	0.5
70.06541	0.6
70.08856	1.0
73.02853	0.4
81.03343	0.5
84.08073	0.5
85.02806	1.7
87.04395	0.4
87.45711	0.3
91.05402	0.6
97.02769	1.5
98.21435	0.4
99.04354	0.3
100.92590	0.3
105.06926	0.4
106.04929	0.4
109.02817	0.5
112.05685	0.3
114.60532	0.3
120.08043	0.6
127.03847	0.6
148.07458	0.7
166.00000	0.3
168.15872	0.3
170.09552	1.1
171.10403	3.1
172.00407	0.3
172.11156	0.8
173.11951	0.3
181.08504	0.3
183.10306	0.6
184.11232	1.4
185.11807	0.5
185.13249	0.7
186.09056	0.4
189.32040	0.3
191.82634	0.3
196.11095	0.7
198.09132	0.5
198.12646	0.6
199.09933	4.1
200.10664	1.7
210.12717	0.7
211.09924	3.0
212.10730	2.7
213.11380	0.5
223.13527	0.4
224.10585	1.1
224.14191	0.4
226.12138	1.3
228.13802	0.4
229.10883	1.0
238.12157	0.7
238.15916	1.7
239.12961	0.5
240.13759	0.7
241.27444	0.3
242.11569	0.5
252.13936	1.7
252.17480	1.8
253.18279	0.6
254.15430	0.5
254.18855	0.7
255.16174	0.5
266.15314	0.4
266.18893	0.4
267.16086	0.9
268.16971	17.3
270.18445	0.5
271.19260	0.8
280.16956	5.6
282.18530	3.6
284.20081	0.8
294.18457	0.8
298.18021	2.7
300.19604	12.1
301.19672	0.4
312.19556	3.7
330.20825	1.5
398.77673	0.3
432.23898	1.1
433.24536	3.3
446.25323	1.3
462.24893	73.6
463.25226	0.9
474.24994	6.4
492.25943	32.5
493.26266	0.6
510.27042	100.0
511.18420	0.5
511.27362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.05523	0.9
56.96582	1.1
61.02928	2.2
67.05508	5.2
69.03432	3.9
69.07067	1.5
70.06605	1.6
70.81503	1.9
70.81836	1.3
71.04993	1.8
72.49208	0.9
79.05502	4.1
81.03417	1.8
81.07063	5.9
83.05003	1.1
85.02921	15.7
85.06567	0.9
87.04500	1.1
91.03998	1.1
91.05482	9.2
93.07063	25.5
95.04987	3.9
95.08629	2.9
97.02919	5.0
99.04465	1.1
103.05489	2.7
105.07044	12.1
107.08611	5.2
109.02899	2.6
109.06519	11.5
109.10170	2.5
111.08095	1.1
119.04975	1.5
119.08591	3.1
121.06527	66.8
121.10155	1.8
123.11735	1.4
127.03958	2.9
127.76691	0.9
131.08594	3.7
133.06479	0.9
133.10144	30.0
137.05994	1.7
145.04941	2.0
145.10063	1.5
147.11716	14.8
149.09624	2.8
151.07590	3.2
151.11209	100.0
164.07106	2.6
165.12834	2.5
175.11200	3.8
193.12244	9.7
263.86398	1.1
313.17999	2.9
330.12827	2.0
331.19095	67.7
381.61893	1.0
409.79041	1.0
510.24115	3.2
510.31595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3553
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	0.6
56.05030	1.4
57.03436	0.6
57.06821	0.4
57.07079	5.8
57.12743	0.3
58.06614	1.3
59.07392	0.5
60.08167	17.4
64.79737	0.3
67.05505	1.5
68.45000	0.4
69.07076	1.0
70.05033	1.2
70.05420	0.6
71.07380	6.1
71.08630	4.4
75.58820	0.3
81.07066	1.7
83.08618	1.2
85.02912	0.3
85.10177	2.3
86.09708	49.6
95.08601	2.7
97.10165	0.7
98.98463	3.9
104.10749	100.0
105.11071	0.3
109.10163	1.3
123.11696	0.9
125.00011	27.6
146.64857	0.4
163.01543	0.6
164.73653	0.3
184.07350	97.4
188.34880	0.3
212.84995	0.3
213.68431	0.3
239.23645	2.2
258.11115	1.0
264.20969	0.3
313.27368	9.3
327.29022	2.0
331.28369	1.8
483.93338	0.3
492.34555	9.2
510.35593	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
56.05045	0.3
57.03421	0.3
57.07066	1.0
58.06594	0.6
58.43639	0.3
60.07878	0.5
60.08168	8.2
61.93843	0.3
67.05507	0.9
69.07058	0.7
71.07372	3.2
71.08629	0.8
71.57749	0.4
79.05490	0.4
81.07035	1.1
83.08602	0.4
85.10175	0.4
86.09709	31.1
91.05433	0.3
93.07040	1.0
95.08601	1.3
98.98465	2.8
104.10750	21.4
107.08586	0.6
109.10200	0.3
125.00010	20.7
135.11679	0.5
155.80792	0.3
174.22620	0.3
184.07346	100.0
190.55177	0.3
195.00381	0.5
227.23698	0.3
251.10666	0.3
327.28922	1.0
337.27432	0.4
338.27652	1.1
403.81400	0.3
415.90396	0.3
492.34604	2.6
510.35376	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	510.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.0
57.03426	3.8
57.07078	46.3
59.84711	1.3
60.08171	6.6
61.02933	3.1
67.05512	12.4
69.03432	1.9
69.07072	9.7
69.34560	2.8
69.34963	9.5
71.04965	1.3
71.07378	1.6
71.08636	37.6
73.02940	2.5
75.04504	1.5
75.16071	1.2
79.05484	1.6
81.03412	2.3
81.07055	18.8
83.08624	15.8
85.02908	5.7
85.10189	22.6
86.09708	17.9
88.95438	1.2
91.03958	1.8
91.05501	1.4
93.07022	2.5
95.08046	2.6
95.08609	32.0
97.02895	3.8
97.10176	6.2
98.20733	3.3
98.98476	2.1
104.10749	39.2
104.11414	2.9
107.08640	2.2
109.02940	1.7
109.10156	13.7
111.11727	2.7
123.11694	6.2
124.99979	10.8
127.03896	4.2
133.10130	2.4
184.07353	40.0
195.00310	2.0
197.00800	2.0
221.72476	1.4
239.23714	35.8
257.24747	4.5
272.89035	1.5
298.27536	1.7
300.74738	1.3
313.07111	1.3
313.27380	100.0
327.28940	1.6
331.28391	19.4
383.27951	5.9
401.24207	1.6
401.29089	16.8
492.34085	2.6
510.35547	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05499	1.9
56.05821	0.7
57.03432	1.5
57.07078	0.7
60.08165	6.0
67.05510	5.5
68.05844	1.2
69.07062	3.0
71.07381	2.7
71.08635	0.7
79.05486	1.6
81.06721	0.5
81.07074	5.4
82.07398	1.1
83.08620	1.6
85.06553	0.5
86.09713	28.2
91.05464	1.6
93.07062	6.7
95.04973	0.9
95.08611	4.0
96.08950	0.9
97.06509	0.6
97.10198	0.6
98.21556	0.9
98.98480	5.3
99.08092	1.5
104.10746	5.8
104.96917	0.7
105.07011	1.3
107.08618	6.5
109.10159	1.7
111.11709	0.6
119.08570	1.5
121.10144	1.7
123.04439	0.5
125.00018	20.6
133.10150	0.7
135.11708	7.6
135.15132	0.5
147.11671	0.6
147.21634	0.5
149.13211	0.6
163.11212	0.7
171.75067	0.4
175.14810	0.5
184.07356	100.0
224.07487	0.5
277.21512	2.9
295.22614	1.8
313.27264	0.7
337.27429	2.3
338.27731	13.8
429.33548	1.0
475.30295	0.7
492.34525	1.4
510.34912	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	511.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44569	0.4
68.44753	0.4
70.58804	0.3
71.02786	0.8
81.07035	0.5
84.08108	0.4
85.02879	0.7
91.05492	7.9
92.05822	2.7
93.07022	1.0
94.35204	0.4
97.02873	0.3
103.05418	0.9
109.06532	0.4
119.04952	3.6
119.06864	0.4
120.05238	1.4
121.06524	5.3
121.44735	0.4
122.06841	2.0
137.05989	10.8
138.06340	4.0
145.04901	0.4
146.05957	1.3
155.03056	0.7
169.04655	0.6
173.04176	0.7
176.07077	1.0
178.08661	3.4
179.08952	2.3
185.04143	0.5
193.77213	0.4
201.05132	0.7
204.06564	0.9
205.06828	0.5
215.05156	1.2
216.07620	6.9
217.08209	1.1
222.07590	3.4
223.08011	2.0
229.06778	1.0
279.22443	0.4
317.04968	0.4
317.08478	5.5
358.12854	1.9
359.13312	3.3
375.15991	0.8
379.13464	1.2
479.18524	0.5
511.17471	100.0
512.17950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66062	0.5
64.02721	0.5
71.59261	0.6
71.59623	0.6
76.16145	0.5
79.05521	0.9
81.03431	0.7
81.07056	0.7
81.21453	0.5
82.18639	0.5
91.05473	0.9
92.61510	0.5
93.07083	0.9
95.04888	0.5
97.02921	0.8
107.08618	1.6
109.02920	0.8
110.96994	0.5
112.32716	0.5
115.96831	0.4
119.04953	0.5
119.08588	0.5
121.06548	1.1
123.08081	0.6
135.08061	5.4
137.05986	2.0
138.09111	4.0
145.02866	0.6
145.05009	0.9
147.04433	1.5
151.07550	0.8
153.09103	0.6
155.03230	0.9
167.07088	0.6
169.04774	0.7
173.04283	0.9
177.05537	1.2
181.08545	1.0
199.09642	1.0
201.05267	1.1
215.05324	1.2
216.07619	6.9
217.08441	1.3
224.09129	0.8
227.16504	0.5
229.06802	0.6
230.11894	0.8
259.09760	0.6
266.10220	1.7
277.10718	0.9
300.12277	0.8
317.08472	4.4
332.14944	1.4
350.16141	2.7
379.13522	0.7
443.16260	0.5
480.15985	0.6
481.17453	0.6
510.68521	0.6
511.17902	100.0
512.18604	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.7
55.05503	4.6
57.03432	4.3
58.59291	3.0
59.05005	7.0
67.05505	14.1
69.03417	8.0
70.06607	13.9
70.48407	9.6
71.04993	21.1
71.60953	2.6
73.02949	3.6
79.05491	3.6
81.07071	29.6
83.04990	4.2
83.08646	4.1
84.08131	9.0
85.02901	27.3
85.06553	27.5
91.05486	24.7
93.07062	36.9
95.04953	2.5
95.06094	7.2
95.08612	4.3
97.02911	5.7
98.20863	3.6
98.21394	4.7
105.07058	23.7
107.08584	20.1
109.10169	27.7
111.08096	27.9
114.05512	6.7
114.73568	2.7
121.06509	12.8
121.10116	3.4
122.06810	4.1
123.11715	11.0
127.03910	6.3
130.29500	3.1
133.09123	3.2
133.10139	56.0
144.09653	3.0
145.04968	9.7
151.11189	62.5
163.03844	6.3
169.12270	53.8
178.08627	6.7
187.13303	100.0
211.54544	3.2
243.13388	3.9
244.13622	4.1
354.46350	2.9
388.78101	3.1
407.20062	14.5
411.95389	3.2
468.20703	4.6
510.72964	3.0
511.29620	6.5
516.73462	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	511.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49825	2.8
55.16430	2.7
57.03420	6.1
67.05520	14.3
68.05032	4.0
69.03423	3.7
70.06598	6.3
71.04996	7.1
71.55705	3.7
71.56063	4.0
79.05510	7.1
81.07070	16.3
83.04987	4.5
84.08148	8.6
85.02919	26.0
85.06536	4.3
91.05489	22.4
93.07039	12.8
95.06110	21.0
97.02898	6.1
105.07038	22.2
107.08609	30.6
109.02963	3.1
109.10168	41.7
112.11253	7.2
121.06498	16.7
122.37038	2.8
123.11717	8.8
132.91264	3.5
133.10150	94.8
145.04993	7.2
146.05991	3.0
151.11200	100.0
163.06120	5.9
169.12251	54.4
178.08655	5.3
187.13310	45.1
198.64694	3.2
204.06612	3.3
213.65079	2.8
259.21594	3.1
259.98392	2.9
272.13947	5.5
285.31348	2.7
302.37424	2.9
316.12888	3.5
390.25241	2.9
441.81161	3.2
468.21323	20.8
469.64838	3.5
510.73816	10.0
511.23630	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	511.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94869	0.6
55.05494	1.1
67.05481	1.5
69.07072	3.8
69.69497	3.8
76.12965	0.6
79.05497	1.2
81.07010	1.9
83.08574	1.7
91.05459	1.2
93.06542	0.5
93.07043	5.2
95.08611	6.7
104.70625	0.6
105.07013	1.2
107.08607	7.5
109.10118	2.3
111.28735	0.6
119.08601	0.8
121.10155	13.1
123.11610	0.7
133.10117	0.7
135.11662	2.2
177.16434	3.0
203.05214	2.1
219.76743	0.6
275.07327	1.4
333.07925	6.1
335.09494	88.7
360.71490	0.7
479.00217	0.6
490.31506	0.7
511.25174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58865	0.2
54.64082	0.2
57.70798	0.3
67.05511	0.7
67.56428	0.3
69.07065	0.6
70.07683	0.6
70.08078	0.7
79.05476	0.4
81.07034	0.3
83.08628	0.3
91.05456	0.6
93.07036	1.4
95.08614	3.3
98.97594	0.3
105.07047	0.9
105.86488	0.3
107.08613	2.0
109.10162	0.6
121.06553	0.4
121.10175	3.2
131.08517	0.3
141.07193	0.4
177.16417	0.7
203.05345	1.0
212.88271	0.3
275.07346	1.1
333.07883	2.5
335.09500	25.6
379.20593	0.4
416.12247	0.3
511.25171	100.0
512.25531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	2.0
53.03943	7.5
55.01876	4.0
55.05518	21.9
57.03446	20.1
57.07087	2.2
58.66589	1.5
60.08150	2.0
61.02945	2.1
65.03947	5.0
67.05511	94.0
67.96747	1.6
69.03430	10.8
69.07072	20.6
69.78938	8.3
71.01366	22.9
71.04996	5.0
73.02926	22.8
75.04485	3.1
79.05499	55.8
81.03424	3.6
81.07065	100.0
83.01350	4.5
83.04951	4.3
83.08632	10.9
85.02914	45.9
85.06565	4.3
91.05489	36.5
93.07056	69.1
95.01344	12.2
95.04989	4.7
95.08615	82.6
97.02898	18.8
97.06549	4.8
97.10208	3.9
98.21486	2.5
99.00845	3.6
99.04473	4.2
99.08093	2.3
101.02401	6.3
103.03946	8.7
104.10764	2.5
105.07036	31.4
107.04964	2.5
107.08603	40.0
109.06525	2.1
109.10167	32.6
111.08112	2.5
112.98833	1.7
113.02380	22.0
115.05494	1.5
117.07047	12.2
119.08591	23.0
121.06550	2.2
121.10157	37.2
123.00848	2.8
123.08115	3.5
123.11710	11.9
125.02328	1.8
125.09645	3.5
129.07011	3.5
131.03406	8.6
131.08565	22.5
133.10135	17.4
135.08087	1.8
135.11720	25.8
137.09656	3.4
137.13292	4.9
139.11122	2.2
141.01846	25.1
143.08583	3.5
145.04977	2.8
145.10132	18.1
147.08026	2.2
147.11729	12.9
149.09586	1.5
149.13292	19.3
151.11221	1.8
155.08525	2.1
157.10190	3.8
159.02951	8.3
159.06529	5.4
159.11690	14.2
161.13264	11.7
163.11162	1.6
163.14821	6.1
165.12778	1.8
169.04964	7.1
171.11702	2.3
173.13290	13.5
175.14853	4.8
177.16423	3.8
179.14442	1.7
183.11694	2.3
184.07326	3.6
187.06035	2.1
187.14841	7.2
191.14441	1.7
197.04471	2.8
199.04088	1.6
205.15910	1.5
215.05478	9.3
219.17523	1.8
241.19710	2.0
243.21069	13.8
259.20578	3.0
261.22162	40.9
285.22180	2.4
292.27878	2.0
303.23270	6.9
317.24957	2.1
335.25806	43.2
336.26678	2.0
339.23392	2.0
355.22839	3.1
364.14639	2.0
365.21051	2.1
377.26871	4.1
397.25363	1.6
419.24222	2.8
431.28088	2.5
471.57211	2.0
475.26910	1.8
486.83310	1.7
493.27686	4.9
506.16525	2.0
511.29031	32.7
539.77838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05500	0.6
59.05010	0.3
60.05626	0.2
60.08165	0.3
61.41729	0.2
65.03926	0.3
67.05497	0.3
69.03394	0.3
69.06729	0.3
69.07076	4.6
69.35041	0.2
71.58913	0.3
73.02918	3.1
73.06558	2.4
74.09715	0.4
79.05467	0.4
80.06821	0.2
81.07053	0.2
91.05464	0.7
93.03410	0.2
93.07055	0.3
95.04937	0.2
95.08566	0.4
97.02895	0.5
97.06549	0.5
98.97592	0.4
103.05473	0.3
105.07052	0.4
107.04962	0.3
107.08594	0.4
109.06516	0.4
119.08619	0.2
120.08114	0.6
121.02828	0.2
121.06506	1.6
123.74384	0.2
132.04384	0.4
134.06062	0.3
135.04440	0.4
135.11717	0.3
137.05980	0.7
138.06242	0.3
139.07535	0.5
145.02794	0.4
149.02342	0.9
154.93082	0.2
162.05566	0.3
163.03958	0.5
164.07072	41.0
164.64569	0.3
167.03465	0.3
167.07048	1.8
173.26851	0.3
177.05486	1.0
178.04866	0.3
180.06561	0.5
190.04985	0.5
192.06630	1.0
194.08194	0.4
195.06557	1.6
196.86246	0.2
201.00801	0.2
204.06583	0.6
204.08667	0.7
209.04445	0.5
218.04573	0.5
219.12524	0.3
221.06804	0.4
222.07594	0.5
232.06116	1.4
250.07082	2.1
276.08694	0.3
278.13876	100.0
279.14215	1.1
292.11783	0.3
294.13409	0.8
306.13397	0.9
308.14856	0.3
320.14941	0.2
336.14359	0.4
337.15213	0.6
338.08685	0.6
346.12827	0.9
348.14471	0.3
364.13965	3.8
377.92551	0.3
390.15540	0.6
392.13422	4.0
420.92300	0.2
438.99179	0.3
452.15588	5.9
452.21667	0.4
512.17676	87.8
513.18158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.05499	0.7
59.05005	0.3
69.03426	0.3
69.07070	4.5
71.01939	0.3
71.02274	0.4
73.02930	2.6
73.06557	2.6
79.05491	0.3
81.07053	0.4
85.02943	0.3
91.05493	0.9
93.06995	0.5
95.08611	0.5
97.02909	0.3
97.06537	0.7
104.04994	0.5
105.07040	0.5
120.08108	0.4
121.06533	1.5
122.06015	0.3
132.04434	0.5
134.01682	0.3
137.06003	0.9
145.02824	0.4
164.07077	40.0
167.07053	1.1
176.07126	0.4
177.05486	0.6
180.06581	0.4
188.72197	0.2
190.04973	0.7
192.06589	0.9
194.08232	0.5
200.03453	0.3
204.06584	0.7
204.08563	0.3
221.06912	0.3
222.07605	0.5
232.05986	1.4
250.07048	1.6
262.24097	0.3
278.13879	100.0
279.14182	0.8
292.11844	0.3
294.13193	0.6
306.13519	0.8
308.14886	0.4
336.14667	0.3
337.15192	0.7
338.08740	0.8
346.13007	0.7
348.14520	0.3
364.13925	4.0
390.15552	0.4
392.13394	3.8
398.10568	0.5
452.15558	6.0
512.17676	88.3
513.18103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05500	0.6
59.05010	0.3
60.05626	0.2
60.08165	0.3
61.41729	0.2
65.03926	0.3
67.05497	0.3
69.03394	0.3
69.06729	0.3
69.07076	4.6
69.35041	0.2
71.58913	0.3
73.02918	3.1
73.06558	2.4
74.09715	0.4
79.05467	0.4
80.06821	0.2
81.07053	0.2
91.05464	0.7
93.03410	0.2
93.07055	0.3
95.04937	0.2
95.08566	0.4
97.02895	0.5
97.06549	0.5
98.97592	0.4
103.05473	0.3
105.07052	0.4
107.04962	0.3
107.08594	0.4
109.06516	0.4
119.08619	0.2
120.08114	0.6
121.02828	0.2
121.06506	1.6
123.74384	0.2
132.04384	0.4
134.06062	0.3
135.04440	0.4
135.11717	0.3
137.05980	0.7
138.06242	0.3
139.07535	0.5
145.02794	0.4
149.02342	0.9
154.93082	0.2
162.05566	0.3
163.03958	0.5
164.07072	41.0
164.64569	0.3
167.03465	0.3
167.07048	1.8
173.26851	0.3
177.05486	1.0
178.04866	0.3
180.06561	0.5
190.04985	0.5
192.06630	1.0
194.08194	0.4
195.06557	1.6
196.86246	0.2
201.00801	0.2
204.06583	0.6
204.08667	0.7
209.04445	0.5
218.04573	0.5
219.12524	0.3
221.06804	0.4
222.07594	0.5
232.06116	1.4
250.07082	2.1
276.08694	0.3
278.13876	100.0
279.14215	1.1
292.11783	0.3
294.13409	0.8
306.13397	0.9
308.14856	0.3
320.14941	0.2
336.14359	0.4
337.15213	0.6
338.08685	0.6
346.12827	0.9
348.14471	0.3
364.13965	3.8
377.92551	0.3
390.15540	0.6
392.13422	4.0
420.92300	0.2
438.99179	0.3
452.15588	5.9
452.21667	0.4
512.17676	87.8
513.18158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43278	0.4
53.03940	1.3
65.03931	0.5
67.04253	0.6
68.05033	12.7
69.84216	1.0
69.84610	1.0
77.03944	0.5
81.56071	0.4
85.02915	1.6
91.05486	4.1
93.07050	6.3
95.06099	100.0
98.98494	0.5
103.05475	4.6
107.08584	1.0
116.93851	0.4
118.06554	1.2
121.06516	22.6
135.11736	0.5
142.94658	0.4
144.04472	2.6
146.06017	8.1
146.07080	0.6
151.11137	0.6
162.05560	1.6
163.05991	0.5
172.03938	0.9
176.07080	5.7
178.08646	40.7
190.05009	0.8
202.08714	0.5
204.06606	4.9
210.11310	2.2
220.31851	0.4
222.07658	9.1
226.08612	0.5
236.09171	0.6
240.11389	4.2
256.10895	0.8
270.12350	2.2
272.13959	26.9
284.10358	1.2
298.11737	2.3
304.16739	0.9
316.12943	22.6
330.14532	1.8
344.39557	0.4
366.92764	0.5
374.15958	1.5
436.18713	5.9
468.21347	80.2
469.21854	1.0
512.13055	1.7
512.20496	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
57.03444	1.0
61.02929	1.7
67.05508	2.3
67.19353	0.8
68.05037	12.0
69.03439	2.1
69.07069	1.0
69.48528	5.5
70.06600	1.3
71.05001	5.8
73.02927	1.3
73.37746	0.9
75.04477	1.0
76.44550	0.9
81.07059	3.7
83.04993	1.6
84.08167	1.6
85.02906	16.8
91.03974	1.6
91.05486	8.9
93.07039	11.2
95.06100	100.0
97.02896	3.8
98.21502	1.1
103.05478	4.0
105.07035	3.2
106.63605	0.8
107.08583	7.2
109.02905	1.5
109.10163	6.0
111.04460	1.0
115.03822	0.9
121.06514	27.6
127.03924	2.3
129.05479	1.9
133.10135	12.5
134.10503	2.1
135.11702	4.2
136.44173	0.8
139.81590	0.8
144.04456	1.2
145.04936	5.6
146.06012	9.2
151.11191	15.4
152.11545	3.2
153.12740	10.8
161.16191	0.9
162.05540	1.6
163.03903	1.0
163.06056	4.9
169.12274	7.9
170.12662	1.0
172.03963	1.2
176.07094	4.7
178.08646	41.4
187.13303	12.1
204.06677	4.2
204.08389	1.3
210.11308	1.8
222.07672	9.9
240.11333	4.6
270.12469	2.9
272.13943	27.0
284.10306	1.1
298.11877	2.3
304.16492	1.1
316.12967	23.6
330.14688	1.4
374.15952	1.4
436.18500	5.8
452.11142	1.0
468.21359	83.8
512.13550	1.8
512.21686	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	512.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.9
55.01870	0.6
57.03432	1.0
61.02911	1.0
62.43262	0.5
67.05499	0.8
69.03431	3.5
69.50492	4.7
71.04955	0.7
72.62122	0.5
74.01178	0.5
79.05467	1.3
81.03426	1.4
81.07032	0.8
83.85217	0.6
85.02905	2.9
91.05480	3.3
93.07053	3.1
94.06561	0.7
95.04977	0.6
95.07344	0.7
96.08144	1.5
97.02902	3.5
97.06557	0.9
99.04443	0.9
105.07030	0.8
107.04965	0.9
107.08594	5.3
109.02872	3.5
110.09701	0.8
111.08076	1.3
119.04908	0.8
121.06486	1.6
122.09646	0.9
123.06803	1.7
124.07605	8.7
126.09148	2.5
127.03916	2.1
131.08521	0.6
132.08047	0.6
135.04439	0.7
135.08057	16.3
136.08441	0.7
137.06027	1.1
138.09149	100.0
145.04944	6.8
146.09653	0.6
147.04405	1.1
153.09146	1.7
155.10602	0.6
159.04416	1.0
160.04037	0.9
163.07516	1.1
165.05449	0.9
174.09161	1.9
174.12790	1.4
175.03810	1.5
176.10733	2.1
181.08636	3.3
184.11328	0.7
189.05580	0.8
193.05020	0.8
197.08310	1.1
198.09219	1.1
199.09677	1.7
202.12251	6.5
211.09972	1.1
212.10733	1.8
213.09253	0.7
214.12314	0.9
217.07898	0.7
226.12189	3.7
230.11780	22.1
236.10733	0.8
240.10150	1.4
244.13358	2.4
254.11769	16.0
254.14461	0.8
258.11264	2.0
258.15079	0.6
264.10223	1.1
268.13455	0.9
272.12836	6.2
282.11279	10.3
286.14496	3.0
296.12762	1.4
300.12323	21.1
307.11801	0.9
309.85962	0.6
314.13895	11.9
318.13388	17.1
325.12964	0.8
332.14932	52.4
350.15994	75.0
494.20270	0.9
512.17957	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	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01870	0.7
55.05502	1.3
55.62857	0.6
57.03431	2.3
58.20552	0.6
58.79630	0.6
59.04999	1.4
61.02937	3.2
67.05479	1.3
69.03428	6.5
69.07062	1.5
71.04998	13.7
71.55995	1.0
73.02947	1.4
73.06549	3.6
79.05495	3.1
81.03417	2.4
81.07068	14.2
82.22858	0.6
85.02911	41.9
87.04464	0.8
91.03952	2.6
91.05486	1.5
93.07052	12.1
95.04938	0.6
95.06100	4.7
95.08606	2.6
97.02900	12.3
97.06535	1.4
99.04457	2.0
103.05446	0.6
107.08604	8.8
109.02868	3.1
109.07587	0.6
109.10148	2.0
112.11272	0.7
115.03918	0.7
121.06489	3.5
127.03925	9.4
133.10149	1.2
135.11696	18.7
137.06013	0.8
139.12286	0.7
145.04974	18.7
148.33354	0.6
151.11238	0.9
153.12756	100.0
163.06018	9.4
171.13771	0.6
178.08630	2.5
199.26709	0.6
203.34261	0.7
264.12283	1.1
272.13913	1.5
289.09119	0.9
290.10284	0.8
316.13147	1.2
325.11368	2.3
468.21429	4.5
512.19238	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33967	1.3
51.02394	1.6
53.03938	5.1
55.05511	4.0
57.03427	4.1
61.02643	2.1
61.02932	34.0
65.03945	1.5
67.05505	5.0
69.03433	14.1
69.07061	4.8
69.76657	2.8
69.77079	5.1
70.06602	6.6
71.04999	6.4
73.02929	14.7
75.51160	1.2
79.05489	11.9
80.43336	1.2
81.03418	6.7
81.07056	12.9
83.01392	1.3
83.04989	2.9
83.08620	1.9
84.08156	2.7
85.02911	91.9
87.04471	3.6
91.03958	40.0
91.05483	19.6
93.07051	77.2
95.04965	4.3
95.08620	19.7
97.02901	32.0
97.06558	6.4
99.04466	5.1
103.03928	2.1
103.05477	1.8
105.04500	1.7
105.07024	8.2
107.08601	100.0
109.02897	4.6
109.06531	2.2
109.10151	7.2
111.08093	1.4
112.11240	1.8
114.10320	2.2
115.03963	4.2
117.07002	1.6
119.06109	1.9
119.08588	2.5
119.59572	1.3
121.06482	7.2
121.10154	2.2
127.03933	28.8
128.06976	1.6
131.08582	1.6
133.10149	1.9
135.11703	86.1
136.07504	1.2
145.04968	42.9
145.10114	1.5
147.11739	1.9
149.06001	12.6
149.09610	1.4
151.11282	1.4
151.47183	1.3
152.08171	1.4
152.11545	1.2
153.12756	22.0
163.03848	5.4
163.06026	55.9
165.12805	2.2
169.12215	2.8
170.12669	1.6
171.11736	1.3
182.54456	1.2
187.13255	1.7
205.12296	4.3
215.40248	1.6
231.13882	1.8
235.05450	1.5
244.13144	1.5
261.15082	1.6
279.15948	1.8
297.17044	2.1
350.19427	1.5
512.25146	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	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.4
53.03944	4.8
55.01867	2.2
55.05509	4.1
55.28186	1.4
55.88151	1.4
56.96559	1.4
57.03441	3.4
61.02929	18.9
67.05505	6.0
67.61797	1.4
69.03436	11.8
69.07068	4.6
69.10744	1.3
70.06574	7.4
71.04988	7.7
71.56368	3.0
71.56747	2.0
73.02909	7.0
79.05488	9.4
81.03422	5.8
81.07058	10.7
82.06596	1.4
83.04993	2.4
84.04501	3.7
84.08147	3.9
85.02911	66.0
87.04472	2.7
89.03963	1.9
90.34972	1.6
91.03962	19.4
91.05495	16.6
93.07050	78.1
95.04971	5.6
95.08610	15.6
97.02901	23.0
97.06551	5.1
98.97610	2.1
99.04462	4.5
101.42825	1.4
105.04520	1.8
105.07050	5.7
106.28740	1.4
107.08600	100.0
109.02888	6.3
109.06525	2.9
109.10167	6.3
112.11232	2.5
114.10261	2.8
115.03935	1.6
119.06143	1.6
119.08627	2.1
121.06521	11.4
121.10134	1.9
125.80376	1.6
127.03930	16.6
133.10168	2.4
135.11703	80.1
137.06053	1.7
145.02943	1.9
145.04964	25.9
149.05988	32.6
151.11182	3.0
152.11478	1.6
153.12755	21.3
163.03891	5.0
163.06000	27.7
163.07338	1.7
165.12814	2.8
169.12260	4.4
170.12663	2.1
205.12241	8.6
279.15781	1.8
308.09128	4.1
309.60773	2.0
311.53741	1.7
325.11490	1.8
330.76462	1.6
432.82065	1.5
512.13525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.9
56.96556	8.5
57.07070	16.8
62.21699	6.0
66.63583	5.6
67.05494	29.5
69.07068	14.9
70.06593	7.1
71.08621	12.1
71.26862	11.5
73.02927	6.9
79.05468	22.2
81.07044	41.6
86.09695	7.4
88.07624	10.1
88.65961	6.4
89.06010	19.0
91.05476	24.6
93.07056	63.9
95.08611	30.8
95.96840	6.2
97.06520	5.3
97.10131	9.8
102.05555	7.8
102.09176	7.6
104.10722	5.4
105.07048	10.8
107.08603	59.2
109.10163	15.5
119.08595	8.1
121.10143	10.7
123.11739	7.5
127.03861	5.7
133.08569	17.6
135.11693	100.0
165.12840	7.0
181.60522	7.4
184.07336	12.8
256.26334	25.0
261.22040	8.0
271.18948	6.6
279.23251	30.8
283.26422	29.0
297.24213	9.7
327.20151	13.5
337.27298	7.6
365.15717	6.7
477.32330	12.5
512.42017	16.3
512.50330	68.9
513.35883	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	513.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21116	0.4
63.96004	0.5
69.03427	0.7
71.17936	0.4
71.56213	1.2
77.58049	0.5
85.02911	1.4
97.02926	0.6
127.03965	0.8
143.01917	0.6
161.03012	0.7
185.03029	0.9
245.05151	1.2
246.05408	0.5
263.06073	0.5
394.98016	0.5
513.12250	100.0
514.12909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20879	0.4
51.78916	0.4
56.96571	0.8
62.56685	0.5
66.23395	0.4
69.03461	0.6
69.68249	1.7
69.68668	0.8
70.06598	0.9
71.04991	0.8
83.04956	0.4
85.02911	1.6
85.06561	1.3
87.65356	0.4
89.44421	0.4
89.58545	0.4
96.25332	0.5
97.02888	0.9
98.21469	0.8
98.97598	0.6
116.98618	0.5
127.04037	0.4
131.04973	0.5
135.04468	0.5
137.05962	1.2
147.04469	0.7
163.03911	1.9
187.03746	2.6
221.13332	0.4
237.02878	0.5
255.01849	0.7
273.02911	0.5
295.52505	0.4
367.10001	3.2
393.05060	0.5
442.72836	0.7
508.22980	0.4
513.15881	100.0
514.16040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.05515	4.1
57.03427	5.8
59.04989	3.4
61.02913	6.4
67.05509	2.8
68.08362	2.2
69.03443	17.0
69.07067	9.7
70.39178	5.5
71.04648	3.5
71.05003	42.3
73.02906	5.4
73.06554	4.0
75.75964	2.1
77.97790	2.1
79.05495	9.9
81.03416	6.5
81.07060	43.1
82.06564	4.4
83.04975	6.6
83.08610	2.4
84.08107	2.2
85.02914	100.0
86.03198	2.9
87.04453	2.7
87.44397	2.2
91.03967	2.8
91.05521	5.4
93.07059	15.5
95.04923	2.5
95.08609	6.5
97.02893	20.7
97.06538	5.3
98.06865	2.3
99.04451	6.3
107.08598	16.5
109.02869	6.5
109.10165	9.7
111.11737	2.9
114.03785	2.2
119.04922	4.8
121.06533	3.9
123.11721	12.2
127.03931	20.2
128.07092	6.0
129.05476	8.9
133.10153	3.2
135.11693	21.0
139.11211	6.9
141.12755	3.0
142.03224	5.7
145.04962	30.6
147.04405	21.3
147.06517	3.9
151.03883	2.6
151.11169	15.6
153.12761	92.8
157.12242	6.4
163.03917	6.2
163.06001	11.5
165.05492	6.5
169.12279	29.6
171.13857	5.0
187.13309	45.0
189.14874	3.9
205.14345	25.1
253.12904	4.9
257.05908	9.3
295.92889	2.1
315.18408	2.9
348.90439	2.3
349.07568	11.8
373.16913	4.0
408.77844	2.6
513.15088	10.8
536.56653	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3041
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
55.05494	0.5
56.96568	0.8
67.05499	0.4
69.07064	0.5
69.51856	2.1
81.03461	0.3
81.07055	0.6
91.05516	0.3
93.07066	0.6
95.08621	0.9
98.21500	0.5
106.36627	0.3
107.08595	0.6
109.10154	0.9
113.24053	0.3
119.08633	0.4
121.10135	0.6
147.11728	0.5
154.94249	0.6
172.95273	0.3
185.04243	0.6
187.17931	0.3
203.05363	0.9
210.96985	0.4
259.07855	0.6
424.63602	0.4
453.17068	0.7
470.34091	0.5
471.18097	0.7
492.33768	1.0
501.33829	0.7
501.84885	0.4
510.34494	0.6
513.30389	100.0
514.30695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91847	2.0
53.03940	3.8
55.01859	3.0
55.05496	8.9
56.96559	3.3
57.03432	7.1
57.07081	2.3
61.02938	14.6
66.41891	2.2
67.05205	2.5
67.05505	22.6
69.03424	6.2
69.07078	10.7
71.04971	2.9
71.56748	2.5
73.02918	3.4
73.23485	2.0
79.05498	34.6
81.03398	4.1
81.07062	31.2
83.04974	3.3
83.08619	4.2
85.02903	14.4
85.06516	3.8
87.74781	2.1
91.03956	5.7
91.05482	27.9
93.07047	50.4
95.04956	7.1
95.08141	2.2
95.08617	23.5
97.02893	9.1
97.06532	4.7
97.10188	2.6
98.10555	2.0
98.97587	3.0
99.04475	2.1
103.05484	3.5
105.07035	35.9
107.08609	27.5
109.06529	2.1
109.10143	9.3
111.08070	3.4
117.07034	10.5
119.08583	34.6
121.06506	13.8
121.10164	26.4
123.11694	3.9
127.03902	3.0
129.06993	8.1
131.08578	15.8
133.06432	2.6
133.10139	27.1
135.11713	27.1
137.05916	2.3
143.08551	12.6
145.04929	3.2
145.06381	2.2
145.10144	19.6
147.08064	3.5
147.11717	25.1
149.09549	2.3
149.13268	17.1
157.10167	10.8
159.08028	3.3
159.11711	14.4
161.09616	3.1
161.13255	21.8
163.11182	2.6
163.14824	4.2
165.61201	2.3
171.11702	8.7
173.13248	8.7
175.14879	11.3
181.10037	3.0
183.11691	3.2
185.09589	2.6
185.13235	10.6
187.11087	2.5
189.12801	2.3
193.10057	2.7
195.11826	3.7
199.14755	4.0
209.13164	2.2
221.13330	2.2
231.21054	3.8
241.19502	19.7
247.15121	2.8
259.20587	48.8
268.57095	2.1
276.37442	2.1
277.21585	3.9
293.15347	2.5
309.61319	2.3
333.24185	9.3
349.16989	2.9
349.23801	5.0
351.25317	100.0
367.22598	2.7
385.23630	2.2
417.20584	3.3
435.21622	3.9
441.26080	5.8
459.27551	2.5
477.29254	3.3
495.29691	3.9
513.25299	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.05511	7.7
57.03438	5.2
57.07068	2.1
61.02931	13.3
67.05513	21.3
69.03423	7.1
69.07069	6.3
69.77694	5.7
69.78098	3.4
71.05007	2.6
73.02916	4.6
79.05499	27.0
81.03432	2.9
81.07053	26.9
83.08624	6.2
85.02910	11.5
91.03983	5.0
91.05487	34.8
93.07048	37.3
95.04987	3.7
95.08593	17.1
97.02894	8.7
99.08104	2.8
105.04493	2.3
105.07036	39.0
107.08617	22.2
109.06513	2.1
109.10156	7.4
117.07001	10.5
119.08586	29.3
121.06487	4.2
121.10137	21.1
129.07019	8.1
131.08569	16.5
133.10129	23.8
135.11702	15.4
143.08577	8.1
145.10126	14.0
147.11700	27.6
149.13251	11.3
157.10146	8.9
159.11728	15.4
161.09653	2.5
161.13260	17.3
163.14838	4.8
169.10191	2.3
171.11702	10.3
173.13258	8.7
173.25598	2.2
175.14839	9.2
183.11632	3.4
185.09650	2.8
185.13261	10.8
187.14832	3.9
199.11349	2.7
199.14751	4.9
204.10002	2.6
211.14877	3.6
213.16435	3.9
215.18161	2.1
217.19507	2.7
231.21202	4.1
241.19455	16.4
259.20605	62.2
271.20389	2.1
301.21512	2.4
333.23911	2.6
349.23517	3.8
351.18430	4.6
351.25314	100.0
363.25208	5.0
367.22525	3.8
375.25192	3.4
441.26044	4.7
459.27399	4.1
477.28662	4.8
495.29633	5.8
513.24567	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.05520	11.4
56.96571	3.5
57.03435	8.7
57.07072	6.8
60.84881	2.1
61.02930	12.1
65.03927	2.0
65.06865	2.1
67.05508	40.9
68.99154	1.8
69.03433	7.3
69.07068	16.1
71.04995	5.1
73.02921	3.7
79.05506	38.1
80.26730	1.5
81.03424	6.0
81.07061	45.7
82.14991	1.7
83.04989	3.0
83.08636	8.3
85.02915	18.8
85.06558	1.9
87.04491	2.4
91.03970	4.7
91.05485	35.9
91.06011	3.2
93.07053	55.0
95.04976	6.1
95.08615	41.3
97.02898	12.0
97.06554	4.2
97.10192	4.1
98.97569	3.3
99.04461	2.2
99.08108	2.2
103.05518	3.0
105.07030	37.2
106.98280	1.8
107.04885	1.9
107.08598	34.9
109.06532	3.4
109.10160	17.3
111.08082	2.2
115.03936	2.6
117.07046	11.0
119.04906	2.3
119.07799	2.8
119.08598	35.1
121.06508	18.1
121.10159	25.6
123.08091	3.9
123.11751	5.4
125.97717	1.8
127.03915	4.3
128.06242	2.3
129.06998	6.8
130.11101	1.9
131.08586	17.2
133.10158	32.0
135.08054	3.4
135.11713	23.4
137.09698	2.2
137.13258	2.2
141.01776	3.8
141.07010	3.2
142.07747	2.0
142.08809	1.8
143.08556	8.5
145.10133	16.5
147.08075	3.5
147.11702	25.6
149.09654	2.3
149.13254	15.5
151.11139	2.0
155.08635	2.0
157.10121	9.0
159.07976	3.0
159.11690	15.3
161.09651	3.2
161.13264	22.3
162.96609	1.9
163.11183	3.4
163.14848	6.8
169.10196	5.2
170.11804	2.7
171.11674	11.6
173.13297	9.2
175.11256	1.7
175.14867	13.0
177.12846	4.3
183.11713	4.9
185.13268	7.2
187.14862	3.4
189.12846	2.5
191.14302	4.5
199.14937	3.6
209.13275	2.2
213.16440	4.7
217.13132	1.6
217.19652	2.4
231.17281	1.9
231.21147	4.3
241.19569	18.3
245.22685	6.0
259.20590	44.9
263.23724	4.9
277.21719	7.0
333.24338	7.7
337.27383	4.8
349.16879	5.3
349.23795	3.2
351.25323	100.0
351.80948	1.7
352.25876	2.1
367.22763	2.4
375.25443	2.6
385.23843	2.6
403.24966	3.5
421.25781	3.5
441.26428	4.7
459.27658	4.1
477.28384	3.2
495.29712	9.5
513.24957	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	514.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26107	0.4
65.03930	1.5
68.39606	0.4
69.71178	0.7
69.71584	2.0
70.06598	0.7
71.04974	0.6
73.02922	0.8
79.05482	0.8
81.07059	0.9
85.02879	1.6
91.05489	25.5
93.07023	1.2
95.08604	0.5
97.02869	0.4
98.20665	0.4
98.97565	0.5
98.97804	0.5
98.98476	6.4
103.05484	0.7
104.44173	0.4
105.07012	0.5
105.87508	0.4
107.08599	0.7
109.06509	1.6
115.05454	1.3
117.05707	1.0
117.07012	1.0
118.06547	1.8
119.04099	0.7
119.04956	12.4
121.06543	1.9
125.00014	18.8
128.63388	0.4
133.10101	1.1
134.05957	0.4
135.11713	0.6
137.05984	25.2
142.06525	1.2
143.07300	1.3
144.04486	1.9
144.08078	5.0
146.06023	5.3
151.11180	0.9
159.75494	0.4
160.07637	0.5
162.05499	1.6
163.03931	0.9
170.06041	6.8
172.04086	0.4
172.07590	15.1
174.05557	0.4
176.07071	2.8
178.08640	11.0
187.13249	0.9
188.07074	6.0
190.04990	0.8
190.08775	0.6
198.05557	3.0
199.01588	0.5
202.08652	14.4
203.08946	0.5
204.06570	2.7
204.10214	56.5
206.08150	0.5
216.06529	4.1
220.09718	3.2
222.07738	3.2
222.11211	2.8
230.08122	9.4
230.10252	0.6
236.12839	1.7
243.29932	0.4
248.09201	24.5
262.10831	1.6
264.08865	0.6
266.10291	2.2
270.05109	0.9
275.09631	0.8
281.85532	0.5
286.04736	1.6
300.06265	1.9
302.07870	6.8
314.04239	2.5
328.05856	4.0
334.10541	0.5
341.11752	1.5
346.06894	30.9
347.07272	0.5
352.17578	1.1
360.08408	1.7
378.09528	1.3
416.17084	4.4
434.18225	1.4
482.12015	4.0
514.14777	100.0
515.15088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
54.74168	0.2
55.05513	7.8
56.05048	0.6
57.03421	0.2
61.02940	0.4
67.73000	0.2
69.03427	0.6
69.07081	0.5
71.04981	0.3
71.41167	0.5
79.05508	2.8
80.05013	0.8
81.03423	1.3
81.07065	3.0
82.06586	40.3
84.08130	0.3
85.02912	1.5
91.03948	0.2
91.05480	0.5
93.07057	0.7
95.04964	0.6
96.04504	0.4
96.08141	8.0
97.02911	1.7
98.09708	0.5
98.97584	0.3
99.04493	0.5
100.07652	1.7
103.05479	0.5
107.04969	0.5
108.04491	0.3
109.02876	0.8
109.06548	0.3
121.06529	3.5
122.06003	0.3
124.07610	5.0
125.06022	0.5
126.05512	0.7
127.03913	1.3
127.07587	0.3
128.07089	100.0
129.07411	0.3
136.06160	0.3
142.08636	5.6
145.04944	0.6
146.06030	0.4
147.04436	0.6
151.81303	0.2
152.07082	0.7
153.12735	0.4
154.13107	0.4
166.08586	0.2
168.06604	0.6
170.08141	9.8
170.09601	0.5
176.07091	0.3
188.09221	1.4
194.08197	0.4
202.08612	0.3
212.09196	0.6
220.11880	0.3
230.10269	1.1
232.09898	0.4
236.09160	0.7
248.09213	0.7
250.10799	0.6
268.11890	0.4
278.10141	1.6
286.12845	0.6
296.11334	7.1
314.12341	7.5
332.13431	11.6
352.17447	0.4
358.11325	1.6
375.14734	0.3
376.12421	3.5
470.20132	1.6
514.19012	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
54.35698	0.5
54.36110	0.5
64.83085	0.6
65.03944	0.8
67.05515	1.3
68.99802	3.1
69.03437	1.1
70.72771	0.8
70.73091	1.1
77.64664	0.6
79.05504	2.0
81.03394	0.7
81.07080	2.7
85.02884	0.7
89.70519	0.5
91.05497	3.0
93.07067	0.8
94.04205	0.9
95.04997	1.0
97.02915	1.1
98.97607	0.7
105.06974	0.6
107.04956	1.6
107.08568	0.7
109.06528	6.5
111.04431	1.0
119.04895	0.9
121.02888	3.3
121.06507	2.0
122.03671	2.1
123.00796	0.6
123.04419	0.7
127.92843	0.6
135.04439	0.7
135.41722	0.6
137.05988	34.6
149.02368	5.0
153.05388	2.8
163.03899	4.4
165.05489	100.0
167.03412	3.8
167.07074	4.1
177.05472	1.2
178.64134	0.6
181.03371	1.3
181.04968	22.8
186.28496	0.6
191.03413	4.6
205.04968	0.9
209.04422	4.5
209.07906	0.7
223.06026	18.6
241.07091	1.3
251.05469	0.7
255.08571	0.8
265.07156	2.9
269.06583	0.7
283.08112	6.5
306.13437	1.0
309.71616	0.5
327.08493	0.8
331.07861	0.6
373.09283	4.4
387.10867	2.7
402.35016	0.6
405.11819	2.7
421.35632	0.6
514.20795	0.9
541.31134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.05499	0.9
55.97963	0.7
56.20766	0.6
57.07069	0.6
67.05499	1.4
68.05032	6.5
69.03440	4.6
69.08283	0.5
69.34135	4.3
70.06596	19.2
71.04994	9.6
71.13683	0.6
72.08149	0.7
79.05476	0.6
81.03404	1.0
84.04471	1.0
84.08157	0.9
85.02905	1.7
85.06537	1.4
86.06066	2.2
87.04469	0.8
88.83691	0.6
91.05471	1.2
93.04523	0.6
93.05159	0.6
93.07034	1.4
94.02927	3.3
95.06094	12.4
95.08607	0.7
96.04490	7.2
97.02895	1.9
97.07665	2.2
98.06059	0.6
98.21450	1.1
109.02867	0.7
109.06564	0.7
110.06042	1.4
110.07204	0.8
111.05585	1.9
112.05080	1.7
112.07617	6.5
114.05508	1.2
115.03928	6.5
119.04959	1.1
121.03954	2.8
121.10106	1.0
122.03602	0.6
124.03925	2.5
126.09151	1.9
136.08641	3.9
137.05980	5.4
138.05627	0.6
138.06595	3.1
140.07077	4.5
142.04935	1.0
145.02840	0.8
147.11485	0.6
151.07443	7.3
152.08195	2.3
153.05518	1.0
158.08212	0.7
161.31107	0.6
162.10260	0.9
163.03925	2.4
163.07513	0.6
164.08206	27.4
165.05458	0.7
166.06143	0.7
166.59250	0.5
167.04503	1.6
167.07094	1.8
177.05455	1.5
178.06172	0.7
178.09773	0.8
180.07719	1.6
182.09238	1.3
190.09761	16.1
190.11505	0.9
192.07709	5.5
192.11383	1.5
194.09235	0.5
205.53085	0.6
206.09323	2.7
208.10791	3.5
218.09204	2.0
221.67393	0.7
226.08275	1.3
236.10306	67.7
240.08618	0.6
252.09795	5.8
254.11334	0.9
270.10901	0.7
274.11807	1.3
280.09262	1.0
298.10345	100.0
302.11267	0.8
375.14368	0.8
514.20685	16.4
514.29059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
56.05015	1.0
57.03441	1.4
57.50348	0.8
58.99585	13.3
59.05016	1.2
67.05518	2.1
68.05006	1.3
69.03432	4.0
69.07057	1.6
70.06593	2.7
71.04987	4.0
71.56100	1.8
73.02920	1.7
76.02234	52.9
76.03994	3.4
79.05498	2.2
81.03413	1.4
81.07053	2.9
82.06583	1.9
83.04985	3.4
83.06123	5.7
84.04034	1.5
84.04512	19.6
85.01138	2.6
85.02914	3.7
86.00660	21.1
86.06059	1.1
86.99049	2.6
87.17157	0.8
88.02208	1.7
91.05492	5.4
92.64598	1.0
93.07037	5.3
95.04993	1.5
95.06092	2.4
95.08624	2.4
96.06390	1.0
97.02917	2.3
97.06548	1.6
98.97630	1.0
99.04437	1.0
99.05595	1.0
100.02225	1.1
101.00619	13.5
102.03753	4.5
102.05518	2.0
105.07039	7.7
107.08591	8.3
109.06525	5.3
109.07651	2.8
109.10177	4.8
110.06053	1.6
116.01687	19.1
119.04939	2.0
119.08589	4.0
121.06517	4.7
121.10156	4.1
123.08082	6.3
123.11721	2.2
126.03724	1.9
129.06601	5.1
130.05051	5.6
131.08588	1.5
132.01155	2.8
133.06497	1.5
133.10146	10.1
135.11725	1.1
137.06013	2.6
137.09630	5.1
141.04794	1.1
142.03267	5.9
143.02773	23.7
143.04518	1.3
143.08540	1.9
144.01160	10.8
144.04753	2.1
145.10187	1.2
146.02690	1.2
147.08058	3.3
147.11703	3.3
149.09631	51.6
151.07564	2.3
151.11183	11.4
152.01637	2.1
155.05307	1.4
155.08157	5.5
156.06557	3.7
156.09294	2.4
161.13278	4.8
162.02213	33.5
163.03932	2.7
165.05481	1.0
165.09093	1.3
165.12791	4.7
168.04817	1.4
169.12239	4.1
170.02724	3.3
171.02277	5.0
171.11679	7.5
178.08643	1.6
179.04869	100.0
187.05351	3.5
187.13313	8.3
187.15999	1.1
188.03790	1.1
189.03302	35.4
189.12743	19.3
198.07637	1.4
199.07230	1.1
204.10207	2.8
207.13829	73.9
208.09709	2.6
210.05705	1.0
215.04857	1.9
215.12836	1.4
229.06447	5.7
230.08081	1.0
233.05914	16.5
239.11055	2.5
245.05937	3.9
247.07494	1.3
248.09125	1.1
265.12650	4.3
282.15323	4.7
291.06494	2.0
301.08588	2.7
308.09122	21.8
323.07965	1.0
346.06870	1.8
352.17587	4.1
367.16925	17.7
376.11618	1.6
385.17944	15.4
439.19009	16.3
451.19171	1.3
455.12369	1.3
470.21973	3.2
514.14868	5.8
514.22144	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	514.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77958	0.8
65.03953	1.4
70.14524	0.9
71.58579	1.1
71.79163	0.8
79.05503	1.6
83.06557	0.8
83.30810	0.9
90.77673	0.9
91.00343	1.0
91.05491	15.6
93.07040	2.1
97.02898	1.0
103.05450	1.9
109.06503	1.4
117.79723	0.9
119.04945	7.7
121.02850	1.0
121.06508	9.8
127.99057	0.9
137.05992	100.0
138.06322	1.0
149.02327	2.5
151.07541	2.1
160.03958	1.7
162.66510	0.9
163.03923	1.5
165.05501	12.8
167.03383	1.7
178.04961	0.8
178.08618	0.9
179.07034	1.7
181.04976	7.7
192.06551	1.5
194.08157	2.6
203.05533	4.6
209.04457	1.2
218.07933	7.1
223.06000	9.0
236.08894	1.2
248.08936	2.0
252.08507	1.4
265.07220	2.1
283.08127	3.6
290.10031	8.7
292.11758	1.6
306.13351	7.1
308.14960	3.6
334.08832	2.9
334.12686	2.1
345.09659	2.0
352.13837	1.3
394.15176	1.0
472.19254	1.3
514.20355	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	514.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07452	1.4
58.51789	1.0
59.57671	1.1
62.06099	1.5
69.34245	7.2
69.34660	2.9
71.49154	1.1
77.65134	1.1
89.61206	1.2
91.05488	13.2
119.04955	9.2
137.05986	100.0
145.47560	1.3
149.02292	3.3
163.89122	1.2
165.05502	8.1
167.03418	2.1
179.06984	2.3
181.04938	11.3
191.03438	2.3
209.04472	3.4
223.06018	14.7
259.78979	1.3
265.07117	4.0
283.08136	4.9
285.04388	1.3
345.09863	3.4
419.13245	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	514.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
53.25343	0.5
55.01874	0.7
55.05517	0.6
57.03411	0.5
63.83200	0.4
65.03931	0.5
67.05502	1.9
69.03434	6.4
70.24960	1.2
71.05012	2.1
72.38985	0.4
74.95176	0.4
79.05495	4.7
81.03418	4.6
81.07056	2.5
83.01340	1.1
85.02931	2.7
87.04473	0.6
91.05482	6.2
93.07056	6.3
95.04976	0.6
97.02903	11.1
97.06519	0.9
99.04461	2.5
105.07056	2.4
107.04953	2.2
107.08603	28.7
108.38432	0.5
109.02891	16.1
109.06501	2.2
109.10155	2.5
111.04444	0.4
111.08087	2.9
115.03918	1.1
117.07031	1.5
119.05027	0.6
119.06068	0.6
121.06523	4.1
125.06025	2.0
127.02983	0.5
127.03929	14.4
135.08064	100.0
137.05988	4.1
137.09618	1.0
139.07585	1.0
140.07069	0.7
145.04974	28.1
146.66724	0.5
147.04411	0.7
150.74536	0.5
153.09116	13.8
157.06425	0.5
161.05972	1.0
163.07552	4.9
165.05478	1.0
168.80920	0.5
175.07553	0.8
177.05510	0.7
179.06978	0.8
181.08607	18.8
199.09668	22.5
203.07042	1.0
211.15056	0.5
217.08638	1.1
221.08138	0.7
241.10727	1.0
245.08092	4.8
253.10910	0.6
255.11426	0.5
263.02701	0.4
263.09158	4.4
264.91428	0.4
271.11758	1.8
283.11423	0.4
289.10669	1.3
307.11801	11.4
313.11960	1.5
325.12842	14.3
341.10907	0.5
343.13968	5.1
376.10028	0.7
441.09213	0.4
443.16965	0.6
454.19778	1.0
482.19147	2.0
496.20605	0.7
514.21619	2.2
515.15570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21062	6.3
52.33498	6.2
53.03938	16.1
55.05501	28.5
65.03925	8.3
67.05505	90.5
68.93706	6.1
69.03439	45.9
69.07059	14.4
69.38700	45.5
69.39112	10.0
71.04961	11.6
76.81365	6.2
79.05498	69.9
81.03426	85.9
81.07064	94.3
83.04973	11.7
83.08614	17.4
85.02905	28.2
89.05995	6.7
91.05505	50.1
93.07055	100.0
95.04967	15.3
95.08130	7.8
95.08630	81.6
97.02893	53.1
98.21498	12.6
99.04452	12.8
102.87917	5.8
103.01283	6.6
105.07034	45.7
107.08610	52.0
107.50306	6.8
108.04469	6.6
109.02880	35.5
109.09541	6.1
109.10150	32.6
111.04478	8.9
117.07025	12.8
119.08575	33.4
121.10139	54.2
123.11666	13.0
124.54346	6.0
126.05508	8.6
127.03909	22.2
129.07008	7.3
129.83777	6.3
131.08537	32.5
133.10133	29.5
135.11719	41.9
138.00589	6.2
143.08597	7.3
145.05003	12.0
145.10141	30.2
147.11719	21.1
149.13266	21.5
157.10165	8.5
159.07777	5.9
159.11725	28.3
161.13269	16.3
171.11592	8.8
171.24207	7.8
173.13243	14.2
185.13365	9.7
187.14871	17.1
206.27614	6.6
241.25703	6.3
243.21152	11.6
259.20819	8.3
261.22079	35.1
277.21661	9.9
303.22974	10.3
315.23230	8.4
319.22729	7.0
345.24283	9.8
351.23529	6.3
369.24237	25.3
387.25327	31.4
405.26608	30.0
423.27698	11.2
514.36115	35.2
514.50995	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	515.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.03951	1.4
55.01861	0.3
55.05511	0.5
57.96410	0.3
58.43309	0.3
61.80048	0.3
63.70005	0.3
65.03946	0.3
66.04711	0.7
67.05534	0.4
69.03407	0.4
71.55978	0.4
77.03928	0.9
79.05495	3.3
80.29124	0.3
81.03390	0.3
81.07047	1.0
83.04974	1.8
83.82390	0.3
85.02870	0.4
89.03909	1.9
91.05471	1.2
93.07056	0.4
94.04179	1.2
95.04951	1.7
105.03406	1.8
105.04532	0.5
107.04929	0.9
109.06510	2.1
111.04455	1.8
117.03362	2.5
119.04914	0.4
121.02838	0.3
121.06502	0.6
122.03628	1.1
133.02869	2.3
135.04422	5.7
137.06017	3.6
145.02846	3.4
147.04410	0.9
149.06058	0.3
151.03905	1.4
163.01903	0.3
163.03914	26.8
165.05478	100.0
166.05780	0.5
175.03923	0.4
179.07056	0.3
193.05043	0.4
195.10893	0.3
229.08690	0.5
257.08090	0.3
261.07620	0.4
275.09235	1.2
291.08548	0.5
320.13751	0.3
423.12531	0.3
510.30679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05510	1.4
56.00489	0.3
60.04528	3.9
61.30741	0.3
69.03425	0.6
69.07070	1.2
71.04995	0.4
71.56228	0.4
72.04523	13.2
72.08163	24.4
76.04002	1.1
79.05520	0.7
81.03411	0.6
81.07047	0.8
85.02900	0.8
91.05480	2.0
93.07049	2.2
95.04990	1.0
95.08630	0.4
96.08143	0.5
97.02909	0.6
98.09739	0.4
100.59206	0.4
103.05479	1.9
105.07030	0.7
107.08601	0.7
114.09178	69.5
117.07017	0.4
119.08585	0.5
121.06519	12.4
122.06910	0.4
127.03928	0.4
127.49215	0.3
133.10112	0.6
137.06012	0.9
140.83821	0.4
145.10162	0.8
146.06053	0.4
147.04437	1.0
150.05544	0.5
159.11658	0.4
161.03824	0.3
161.09668	0.4
163.03871	0.4
163.11259	0.7
164.07083	8.1
164.08398	0.6
165.05490	1.3
166.05029	0.7
173.09584	0.4
180.06561	9.8
185.02278	0.3
187.11235	0.4
191.10622	0.4
204.06664	0.4
208.06158	0.5
215.10693	0.5
222.07654	3.2
277.15482	0.9
279.13333	0.4
289.15472	2.0
293.14996	6.2
321.14297	1.8
335.16034	100.0
336.08432	0.4
336.16559	0.8
337.11722	1.5
399.18945	0.4
418.60449	0.4
441.20288	16.6
455.21585	1.1
473.17004	0.6
473.23062	0.5
483.21146	0.7
515.23914	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	515.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
67.05510	0.8
68.15541	0.4
71.39595	0.7
79.05496	0.6
81.07059	0.5
83.08650	0.5
85.02899	1.0
86.09695	0.5
91.05524	0.7
91.31507	0.4
93.07027	0.9
95.08598	1.2
97.10160	0.4
107.08676	0.5
107.21416	0.4
108.09756	0.4
109.10148	0.5
116.07158	0.4
116.89438	0.4
121.10120	0.5
135.11734	0.5
137.31447	0.5
140.99767	0.5
143.69778	0.4
145.10124	0.5
155.01044	0.5
177.93872	0.5
265.25464	0.7
313.27322	1.8
371.09576	0.5
411.00476	0.4
479.53241	0.6
515.31958	100.0
516.32440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
57.03447	0.6
57.07071	0.9
67.05497	2.7
69.07055	1.3
71.08621	1.6
71.57066	1.0
79.05470	1.6
80.68009	0.6
81.07037	2.0
81.79103	0.5
82.14762	0.6
91.05496	1.4
92.77331	0.6
93.07060	1.8
95.08587	2.3
98.98451	0.7
104.20274	0.7
105.07024	1.4
107.08595	1.7
109.10151	0.8
111.41422	0.6
117.07059	0.7
120.47504	0.6
121.10152	1.1
123.11720	0.7
131.08601	0.9
133.10115	1.1
138.12210	0.6
145.10112	1.2
161.97429	0.6
165.05441	0.7
175.35062	0.6
178.73787	0.7
268.25726	0.7
270.56058	0.6
299.46326	0.6
313.27393	2.7
423.33191	0.7
515.31873	100.0
516.32214	1.2
521.56897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	9.7
55.05506	20.3
57.03441	16.3
61.02920	12.2
67.05508	96.3
69.03420	20.7
69.07050	30.2
71.56728	12.5
74.28970	7.0
79.05499	61.5
81.03407	12.8
81.07059	100.0
83.08618	15.3
83.20501	8.7
85.02911	11.6
86.09702	12.2
91.05470	53.9
93.07042	65.5
95.04970	10.1
95.08611	95.4
97.06536	13.4
104.10729	8.6
105.07046	44.6
107.08618	41.9
109.06535	11.4
109.10184	41.3
117.07003	21.7
119.08604	41.1
121.06493	13.4
121.10152	42.2
123.11669	13.1
129.06956	13.2
131.08565	29.4
133.10139	30.7
135.11697	19.4
145.10117	32.0
147.11685	16.5
149.13243	22.4
159.11734	30.0
161.13245	20.1
163.14801	18.4
168.52737	7.3
169.10144	9.9
169.40810	8.4
171.11690	9.9
173.13252	12.9
184.07300	16.5
187.14752	10.8
197.09747	9.9
243.20998	24.0
261.22205	65.9
278.63864	18.7
335.25858	22.5
353.26883	24.5
419.27707	12.7
461.28781	10.4
495.00220	8.6
497.30426	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08231	4.6
53.57845	4.8
55.05504	22.2
57.03440	14.0
61.02920	7.2
67.05511	84.1
69.03426	7.4
69.07063	22.0
70.85222	14.2
73.02911	5.4
77.27412	5.9
79.05490	54.1
79.65158	4.8
81.03432	7.4
81.07063	100.0
83.05003	8.3
83.08627	12.1
85.02886	11.7
91.05479	41.1
92.39478	4.9
93.07050	72.8
95.04984	8.6
95.08048	6.7
95.08611	76.2
96.05311	4.5
97.02877	8.4
97.06534	7.8
97.10177	6.0
99.08086	5.8
105.07047	29.2
107.04958	6.1
107.08605	49.7
109.06502	10.0
109.10172	33.2
116.19838	5.3
117.07003	12.9
119.08604	24.1
121.10146	42.1
123.11691	18.1
128.51509	4.6
129.06985	5.7
131.08545	27.3
133.10138	21.1
135.11679	30.7
143.08583	9.0
145.10138	25.7
147.11694	24.9
149.13289	19.5
157.10248	6.8
159.11771	24.6
159.23532	4.9
161.13228	13.4
163.14787	11.6
173.09616	6.5
173.13242	20.6
175.14828	6.4
243.21146	21.0
261.22195	65.7
279.22864	4.8
303.23294	8.5
335.25693	27.3
345.24249	9.4
353.26862	33.4
358.16333	18.9
358.66525	19.5
359.16479	6.2
419.27881	11.8
443.28214	6.5
461.29010	8.5
497.31046	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.1
51.30519	1.9
53.03941	6.2
55.01872	2.4
55.05510	17.5
56.96571	1.6
57.03434	6.8
57.07074	5.0
57.16803	1.6
61.02929	6.6
65.03946	4.2
65.88229	1.6
67.05508	96.9
69.03423	6.5
69.07070	22.7
69.28413	17.0
69.64847	1.9
71.04984	3.0
79.05495	59.2
81.03419	3.7
81.07060	100.0
83.04990	3.8
83.08609	8.7
83.87411	1.9
85.02913	7.5
85.06537	3.6
90.54063	2.1
91.03935	3.4
91.05489	34.1
93.07047	75.1
95.04953	5.0
95.08613	84.0
97.02900	4.9
97.06554	4.3
97.10173	6.0
98.97591	2.1
99.08075	3.8
105.07038	29.0
107.08605	45.1
109.06511	6.6
109.10161	44.0
109.22722	1.9
111.08051	3.1
111.11766	2.5
113.09645	2.0
117.07018	11.7
119.08586	26.8
121.10150	39.2
123.08124	3.2
123.11704	20.0
125.09629	3.7
127.03837	1.8
129.06967	3.7
131.00177	3.5
131.08575	24.4
133.10149	19.3
135.08035	2.8
135.11687	29.4
137.09587	4.9
137.13260	7.0
143.08588	3.4
145.10132	21.3
147.11687	17.1
149.01259	2.3
149.09624	3.0
149.13255	25.3
151.14789	2.6
156.03647	4.9
157.10123	5.5
159.11754	17.0
161.09677	2.1
161.13255	17.2
163.11172	1.9
163.14819	18.3
165.12802	2.9
169.10170	2.9
171.11725	3.4
173.13307	19.9
175.14854	6.5
177.12804	3.3
177.16359	7.7
185.13298	3.0
187.14824	10.6
189.12772	1.9
189.16423	2.0
191.14354	1.9
199.11281	1.9
201.16484	2.7
205.15952	2.8
233.22717	4.2
243.21056	27.5
261.22156	90.5
277.13751	10.5
277.63998	4.8
279.23239	4.4
293.05341	2.6
301.21640	2.2
303.22974	3.0
317.24780	5.0
335.25800	28.8
345.24091	2.5
353.26904	23.5
361.84265	2.0
369.24310	2.6
387.25369	2.9
405.26282	2.6
419.27997	3.3
451.32309	2.1
454.03723	1.8
461.29086	2.4
469.33154	5.9
479.29913	2.1
497.31461	8.3
514.82562	3.3
515.32654	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.05510	15.4
57.03425	7.3
57.07067	5.3
61.02924	3.5
65.03942	2.3
67.05505	93.6
69.03426	8.7
69.07070	15.2
71.04983	2.8
71.08609	1.8
71.58936	2.0
76.81506	1.8
79.05495	63.6
81.03416	5.5
81.07059	100.0
83.04989	5.5
83.08614	11.5
85.02890	6.5
85.06536	3.1
91.05484	36.9
93.07043	80.1
95.04967	4.8
95.08611	76.8
95.09090	1.1
95.09238	2.0
97.02893	3.3
97.06523	4.2
97.10151	4.0
99.08083	5.5
105.04516	2.2
105.06380	3.0
105.07033	30.4
107.08599	48.9
109.06521	4.5
109.10158	38.6
111.08133	4.1
111.60349	2.1
117.07018	17.7
119.08578	30.2
121.10147	39.7
123.08043	2.3
123.11702	19.4
125.09647	2.3
129.07016	4.6
131.08585	30.7
133.10132	22.2
135.08054	2.1
135.11696	34.4
137.09636	4.4
137.13278	6.4
139.11139	3.8
143.08548	4.4
145.10118	26.0
147.11708	16.9
149.13264	24.9
151.11130	2.4
151.14720	2.5
159.11682	24.3
161.13243	16.4
163.14803	16.8
165.12828	3.7
167.14409	1.8
169.10086	2.1
171.11708	2.7
173.13242	18.4
175.14864	5.2
177.16402	7.7
179.14374	2.8
185.13187	2.9
187.14847	11.3
189.16347	2.5
191.14249	2.3
195.13979	1.7
199.71884	1.8
201.16382	5.5
211.14951	2.0
215.17935	2.6
231.25998	1.7
233.22624	3.5
243.21089	30.4
261.22147	92.7
277.13846	2.9
277.63925	3.9
297.61514	1.9
303.23331	4.5
315.23080	2.0
335.25839	15.6
345.24469	1.9
353.26843	22.4
369.24316	5.5
377.27347	2.0
387.25354	5.7
405.26328	3.8
423.27310	2.2
432.62656	2.0
461.28760	3.6
479.29800	3.4
497.31104	5.2
509.13696	2.2
515.36987	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3737
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
52.83165	4.3
55.05523	6.9
67.05508	9.7
67.91847	4.0
67.97511	4.2
69.07107	5.1
71.58626	5.3
79.05487	8.6
81.07055	15.8
83.08606	12.2
85.06517	4.5
90.16374	4.1
91.05466	7.8
93.07032	18.0
94.16032	4.1
95.08616	25.0
101.95750	4.2
105.07056	13.0
107.08579	19.4
109.10135	17.2
119.08591	28.0
121.10145	17.8
123.11714	5.0
131.08511	6.7
133.10127	18.0
135.11719	9.3
145.10107	15.1
147.11676	11.9
149.13217	7.5
159.11635	9.9
161.13246	6.6
175.14769	9.3
177.16360	8.1
187.14774	6.2
189.16379	26.7
194.79375	4.4
201.16376	15.2
203.17973	33.1
205.15874	6.1
213.16464	7.6
215.18137	9.8
235.16867	6.1
247.16878	7.8
303.94751	4.9
391.33789	4.8
409.34549	8.4
437.34216	26.5
461.25305	5.1
515.31732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
57.24401	0.5
67.05508	0.8
69.03417	1.4
69.47655	4.0
69.55364	0.5
70.06594	11.1
71.04998	1.0
84.04521	0.6
84.08146	0.8
85.02911	1.8
87.04477	28.7
91.05495	4.0
93.07008	0.6
95.06121	0.8
97.02889	0.9
98.20808	1.3
109.02871	0.6
109.06498	0.9
112.07623	8.7
119.04935	2.2
119.08685	0.7
121.06501	0.9
123.04421	2.3
124.03943	0.6
127.03951	0.7
137.05980	17.3
140.07074	5.6
145.02835	0.6
147.04362	1.3
158.02380	1.3
158.08153	1.0
161.06175	0.6
163.03922	2.0
164.07074	4.0
172.42354	0.5
175.03987	0.6
176.03378	0.8
177.05466	1.3
180.06549	2.1
190.05013	5.4
195.28490	0.5
204.06586	0.9
206.04482	0.6
207.06581	1.5
208.06082	1.5
209.53000	0.5
220.07643	2.6
224.05269	0.7
236.07034	0.9
238.08632	2.4
239.09412	0.7
248.07103	2.4
249.07904	1.0
250.08586	1.2
250.10783	1.6
252.06543	1.2
254.04335	0.7
254.08206	1.9
256.06033	0.8
258.05518	2.5
264.06583	1.6
266.04407	0.7
266.08188	3.9
267.08893	0.7
268.06198	0.5
268.09680	1.4
269.06940	1.3
270.07684	1.2
276.06506	0.9
282.07568	1.5
284.09195	2.1
284.11777	0.9
288.05121	0.8
292.06058	1.3
294.07349	2.9
296.09323	0.8
298.07141	0.7
298.10757	1.0
310.07141	1.1
312.08698	1.8
326.10281	2.4
328.08456	0.7
340.12018	1.3
342.09732	1.2
346.05612	2.0
354.13251	1.3
370.12985	1.2
378.08273	1.9
393.84756	0.6
398.12445	2.2
402.11826	3.6
430.11514	1.0
456.12564	0.7
488.15598	3.3
498.10498	0.6
499.17438	0.7
500.17990	0.6
516.15027	100.0
517.15472	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1634
Annotation	Lamellarin U
Peak:m/z	Relative Intensity
55.44990	0.9
69.07057	0.9
69.71149	1.0
70.72650	2.0
73.02955	1.1
90.35386	1.0
91.05498	2.2
95.04969	1.0
121.06525	3.9
125.64169	1.1
135.09344	1.0
137.05962	7.4
138.06250	1.3
151.71339	1.1
165.05473	1.2
166.05066	1.0
167.54881	0.8
180.06583	11.5
192.61299	0.9
194.08170	1.8
210.07695	3.1
229.57196	1.0
238.10818	3.8
280.12003	1.5
294.13373	16.9
298.12878	13.2
298.16003	1.2
302.41647	1.1
306.07397	100.0
324.08444	17.7
330.27573	1.0
336.08371	5.7
336.14380	22.7
337.86615	1.0
428.47360	0.9
442.18631	3.3
516.16351	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	516.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88424	0.7
55.38799	0.7
57.09933	0.7
57.30594	0.9
68.34346	0.7
69.03425	1.2
69.07038	0.8
69.41186	0.8
70.06597	100.0
71.04983	1.0
81.03410	2.5
81.07059	1.6
84.08135	1.0
85.02902	2.8
87.04462	2.1
91.05460	0.8
97.02896	1.2
99.04456	1.1
104.02090	0.9
107.08570	0.8
109.02880	5.8
111.93247	0.8
112.07615	93.1
113.05260	0.9
115.03875	0.9
116.07099	4.2
118.50163	0.8
127.03916	4.5
131.47623	0.8
137.06006	2.2
140.07072	49.3
145.31224	0.8
151.07410	0.9
158.08145	25.6
179.07028	3.3
190.05052	0.9
200.09175	2.1
266.10382	4.7
284.11334	16.9
302.12360	24.7
516.14868	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	516.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87410	0.6
55.60048	0.6
69.03436	0.9
69.73830	0.7
69.74152	4.2
70.06596	100.0
81.03437	0.9
83.04997	0.8
84.08173	0.8
85.02914	2.1
85.06551	0.7
95.65369	0.6
97.02892	1.1
98.21467	1.0
98.97594	1.2
103.05486	1.0
109.02888	4.1
112.07613	93.1
114.05572	1.0
116.07099	1.8
119.04958	0.9
131.04924	1.5
131.55405	0.8
133.39709	0.6
137.05968	5.2
140.07072	59.9
147.04413	2.0
151.35464	0.6
152.07045	0.7
158.08138	8.5
161.05853	0.8
163.03893	2.4
164.07054	1.2
180.56993	0.7
254.31555	0.7
266.10193	3.3
274.65421	0.6
284.11298	15.5
284.14465	0.8
294.09723	2.4
300.13718	0.8
302.12234	5.3
302.85400	0.7
368.79291	0.8
458.10086	0.7
504.32932	0.8
516.19135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40883	0.3
53.03937	0.5
55.01861	1.1
55.05491	0.6
59.05002	0.3
65.03954	0.3
69.07069	4.2
73.02914	3.0
73.06551	3.0
91.05471	1.3
93.07056	2.5
95.04993	0.4
95.22917	0.3
96.07795	0.4
97.06511	0.4
103.05466	1.6
107.07333	0.8
108.08090	0.5
120.04462	1.1
121.06505	12.8
129.33844	0.3
136.07576	0.4
136.20978	0.4
140.79457	0.3
146.05920	0.4
148.03914	1.7
151.06281	1.4
152.07060	2.8
166.05000	4.3
178.08630	0.4
180.06558	42.7
181.06848	0.4
194.08055	0.7
263.07700	0.3
267.45306	0.3
275.89221	0.3
280.11816	8.1
294.13351	74.9
295.13339	0.5
308.14880	0.8
322.12933	3.2
336.14404	100.0
337.14844	0.8
400.17422	1.1
410.24728	0.4
442.18625	12.6
474.21237	0.6
516.22015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01859	1.0
55.05513	0.5
56.45216	0.3
58.24472	0.3
59.05010	0.4
69.06706	0.5
69.07068	4.4
70.84039	0.6
70.84393	0.5
72.03731	0.2
73.02920	3.4
73.06564	2.6
75.08293	0.2
75.20813	0.3
86.52681	0.3
91.05489	1.7
92.04991	0.3
93.07053	1.7
95.04924	0.4
97.06519	0.7
103.05462	1.6
107.07346	1.0
108.08132	0.9
120.04471	1.1
121.06518	13.7
136.07555	0.4
148.03937	1.9
151.06282	1.2
152.07071	2.9
162.05496	0.4
164.07117	0.5
166.05013	3.4
178.08545	0.5
180.06569	49.0
206.08307	0.4
222.07610	0.9
225.13933	0.3
278.13950	0.6
280.11816	7.8
280.14935	0.4
292.15378	0.4
294.13364	84.4
295.13553	0.5
308.14944	1.2
322.09256	0.4
322.12866	4.6
336.14423	100.0
337.14890	0.3
396.16751	0.4
400.17599	1.2
442.18622	13.2
443.18329	0.3
474.21136	0.6
516.22278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91844	1.2
55.05521	2.3
56.96546	1.7
57.07084	2.1
60.04523	1.5
62.06096	37.4
67.05511	6.2
69.07075	8.5
70.02947	4.1
71.05014	1.5
71.98064	1.4
79.05492	5.7
81.07072	18.5
83.08629	3.7
86.09737	2.0
88.03998	2.1
91.05500	6.2
93.07060	13.0
95.08625	29.3
97.06522	1.5
97.10207	3.3
104.10750	2.4
105.07036	15.5
107.08606	22.2
109.10168	20.5
117.06996	3.7
119.08591	24.0
121.10152	18.8
123.08067	1.7
123.11718	21.2
131.08601	5.4
133.10156	19.6
135.08102	3.1
135.11707	19.8
137.13245	3.4
139.11357	1.5
143.08574	2.3
145.10124	12.6
147.11685	11.5
149.09723	1.3
149.13242	8.2
153.12790	3.5
153.47417	1.3
155.08527	1.6
157.10182	4.7
159.11702	13.1
161.09663	2.2
161.13237	14.1
163.11224	4.1
163.14900	7.8
171.11707	3.4
173.13277	10.7
175.14824	8.6
177.16508	3.7
179.14381	2.4
184.07396	5.3
185.13275	5.5
185.58621	1.5
186.14140	2.2
187.11285	4.2
187.14880	11.3
189.12773	2.5
189.16327	8.9
191.14383	2.1
191.18010	4.4
199.14891	5.2
201.16364	7.5
203.17970	8.4
213.16431	5.1
214.17030	1.5
215.17906	3.3
219.17593	1.8
224.16533	3.8
225.16383	1.7
227.17993	3.4
229.19533	14.5
239.18007	1.8
241.19507	2.1
247.20570	1.8
252.19682	5.2
255.21149	6.2
257.22739	1.8
264.19525	2.3
266.21161	2.2
267.21082	2.9
269.22665	3.5
273.22238	1.8
281.22775	2.2
285.22250	4.2
290.21161	3.8
303.23148	4.2
344.25934	1.8
361.63544	1.5
391.33731	4.0
409.34747	14.7
419.33105	2.6
437.34232	5.2
470.39395	2.1
480.38477	12.8
498.39462	100.0
516.40594	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42920	0.6
55.05509	2.1
57.07065	1.0
59.87236	0.6
60.04528	1.1
60.08164	1.9
62.06087	4.9
67.05513	5.0
69.07056	3.9
69.64746	3.4
70.02952	0.9
71.07372	0.7
74.94085	0.6
79.05492	2.5
81.07060	9.2
83.08620	2.7
86.09713	9.2
88.03969	1.8
91.05478	4.3
93.07041	8.1
95.04948	0.8
95.08607	15.7
97.06550	0.9
97.10117	0.9
98.04290	0.7
98.20739	0.9
104.10764	1.0
105.07034	7.9
107.08600	13.2
109.10163	8.5
111.08141	0.9
111.11710	0.8
117.06970	0.9
119.08582	18.6
121.06494	2.2
121.10142	9.6
123.11723	3.9
125.00001	7.6
131.08588	3.8
133.10132	13.0
135.08073	1.2
135.11688	9.0
137.13211	1.5
143.08551	1.5
145.10100	6.9
147.11694	10.2
149.13266	4.8
157.10133	1.9
159.11674	5.3
161.13229	5.7
163.14833	3.9
171.11710	1.8
173.13307	4.8
175.14842	5.9
175.69835	0.6
176.25894	0.6
177.16376	3.0
184.07350	31.6
185.13264	2.2
187.14806	7.9
189.16379	11.5
191.17946	4.9
199.14804	1.6
201.16374	10.2
203.17949	11.7
205.15929	2.3
205.19415	0.7
207.17432	3.5
213.16364	1.6
215.17969	2.9
217.15976	1.3
217.19484	1.2
219.17439	1.1
227.17924	0.7
229.19571	1.9
235.04655	0.6
241.19495	2.9
244.71423	0.8
250.18167	1.0
255.21138	1.7
262.18179	0.8
264.19910	0.8
269.22650	1.0
276.19611	1.4
278.21304	2.1
290.21170	4.7
308.22092	0.8
310.82016	0.7
351.99106	0.6
391.33694	2.3
393.41431	0.7
409.34641	5.4
427.35840	1.7
437.34192	1.0
457.22226	1.2
480.38409	3.9
498.39441	14.0
516.40515	100.0
517.40778	1.8
526.27539	0.7
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
67.05494	4.7
70.64777	1.6
71.28214	3.8
81.07050	6.1
93.07019	3.4
95.04926	2.0
95.08603	5.7
105.07036	4.0
107.08589	5.5
109.10119	4.6
119.08537	5.0
119.84446	1.8
121.10133	7.0
123.04439	10.4
123.11664	3.2
133.10101	4.0
135.11687	5.7
140.05020	1.8
145.10135	4.4
147.11664	3.8
159.11688	2.8
161.13187	4.0
180.85030	1.8
187.14932	2.2
189.16472	2.4
191.17943	3.6
201.16234	2.7
203.17984	2.1
453.34137	2.4
471.34738	100.0
516.40680	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	516.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.4
67.05499	6.6
69.07058	4.7
69.41889	19.6
81.07055	13.1
91.05486	4.2
93.07032	5.8
95.04922	4.7
95.08604	13.1
99.38842	3.1
105.07051	4.8
107.08615	10.9
109.10172	10.3
119.08613	9.0
121.10155	8.6
123.04466	14.0
123.11750	3.4
124.03952	28.0
131.08571	4.5
133.10132	6.5
135.11676	5.9
137.05998	2.9
145.10149	7.0
147.11688	6.1
149.13275	3.7
159.11716	6.9
161.13322	5.0
163.14929	5.2
167.17061	2.7
173.13210	4.6
187.14723	3.1
191.17984	4.9
201.16292	3.6
203.17923	4.8
245.15535	2.9
262.22516	2.9
312.84216	2.9
400.15353	3.6
435.32407	3.8
447.34366	3.3
453.33954	6.8
471.34756	100.0
516.23529	10.5
516.31787	4.1
516.40692	73.8
522.77795	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01841	0.7
57.03427	0.6
67.05493	0.6
69.03419	1.9
69.50089	1.1
69.50494	2.7
70.06590	1.5
72.04519	30.4
75.12957	0.6
79.05491	1.2
81.03381	1.1
85.02910	1.3
88.03993	1.7
91.05503	3.9
93.07064	3.2
95.04960	1.0
96.27568	0.6
97.02898	2.9
98.02377	0.6
103.05456	2.2
105.07006	0.7
107.08606	3.2
109.02889	1.4
112.71898	0.5
115.05495	0.6
115.69403	0.6
116.03435	1.3
117.03433	0.7
119.04912	1.2
121.06512	17.1
121.10156	0.7
122.03646	0.6
127.03909	1.3
131.04988	0.7
133.10144	1.4
135.08064	2.0
137.05988	4.6
137.09583	0.9
142.27798	0.6
147.04420	1.4
151.06329	0.8
152.07050	1.8
161.05898	0.7
161.07155	0.7
163.03856	1.5
163.07558	3.0
164.06976	0.9
166.04999	4.4
176.07263	0.5
177.05489	1.4
178.08649	0.8
179.03470	0.8
180.06566	52.8
181.05003	0.5
181.08588	1.5
182.05139	0.6
183.60564	0.6
186.03198	0.8
188.43947	0.6
191.14293	1.6
199.37469	0.5
199.86453	0.5
201.05411	4.4
206.04977	0.7
206.08156	11.2
222.07607	4.7
233.09229	2.6
234.07028	0.8
235.07150	1.0
237.08760	5.1
249.08684	7.1
251.10281	37.7
264.05087	1.3
277.08160	4.3
278.06577	12.4
278.09445	1.0
279.09799	1.6
281.07806	0.7
291.09732	1.8
293.11349	6.0
294.59036	0.7
295.09286	9.5
305.07999	1.3
306.06055	0.9
307.09595	0.8
319.09235	3.6
320.07581	3.3
323.08820	1.8
332.99472	0.7
337.10309	100.0
338.10754	1.0
355.11862	2.8
419.18738	0.8
443.14511	14.8
483.11444	0.8
499.16373	1.2
517.17639	2.4
517.29559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
61.47831	0.6
68.08118	0.5
70.69616	1.2
70.69951	0.8
72.04520	29.3
84.08157	0.7
88.03974	1.3
91.05472	2.7
91.27644	0.6
93.07030	3.3
103.05469	2.2
112.37790	0.6
116.03405	1.2
116.31329	0.6
117.54763	0.5
119.08579	1.0
121.06516	15.4
124.30467	0.5
143.08646	0.6
145.10237	0.6
151.06294	1.3
152.07082	1.5
159.11723	0.7
163.03964	1.1
163.07491	0.6
164.07047	1.2
165.05481	0.8
166.04988	4.6
173.01146	0.6
180.06566	54.1
192.06604	1.6
204.10455	0.5
206.08138	11.3
208.06046	0.7
213.09126	0.8
222.07649	4.4
233.09203	2.6
235.07220	0.8
237.08733	5.1
249.08733	6.5
251.10289	39.7
264.04944	0.9
265.11948	0.6
277.08237	2.6
278.06613	12.7
279.09753	1.4
281.07568	0.7
283.88327	0.6
291.09854	2.0
293.11359	5.7
295.06180	1.2
295.09265	10.8
306.06076	0.7
319.09335	3.3
320.07712	4.3
323.08789	1.3
337.10315	100.0
338.10571	0.9
443.14468	14.2
512.79333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01863	1.4
57.03428	1.6
57.74004	0.5
61.02921	1.6
64.02187	0.6
65.03923	0.9
69.03437	6.2
70.06585	1.0
71.57892	1.0
73.02904	1.0
79.05499	2.0
81.03426	3.9
84.08170	0.6
85.02908	14.3
85.06550	0.7
86.09724	0.6
87.04469	1.1
90.04697	0.6
91.03938	0.6
91.05064	0.5
91.05496	5.8
93.07050	1.3
95.08582	0.8
97.02911	6.3
99.04457	0.8
103.05463	1.1
104.06221	0.7
105.07028	3.3
106.04198	0.6
107.04967	7.0
107.08607	0.9
108.05727	2.0
109.02885	2.0
115.05456	3.9
116.06322	0.7
117.07030	2.4
118.04150	0.8
119.04961	1.2
119.08633	3.1
121.06527	2.5
121.10111	1.0
127.03913	2.5
128.06247	2.0
129.06972	2.9
131.04935	2.8
132.05704	2.5
133.06511	3.3
135.04424	4.1
136.05209	11.7
137.05972	5.2
141.07024	1.2
145.02885	1.4
145.04970	1.7
145.06462	1.4
146.07262	1.2
147.04398	1.1
147.08049	4.4
149.02367	0.7
149.09653	1.0
150.06813	0.8
151.07552	100.0
156.05627	0.7
157.06538	0.7
159.08061	2.8
160.05209	5.4
161.05977	5.0
162.06720	1.2
163.07590	1.9
165.05554	0.6
165.09198	0.8
167.07028	1.4
169.06503	1.6
171.08096	1.4
175.07559	44.9
177.05544	2.9
177.09116	8.1
179.08621	0.6
180.06673	0.6
181.08640	0.7
184.05203	1.4
185.06006	0.7
187.07567	5.9
189.09103	1.7
190.07864	0.6
191.08594	0.6
193.08580	1.4
199.07547	11.5
201.05501	4.8
201.09161	1.6
202.07745	1.0
203.08588	2.1
205.04843	0.7
205.06664	0.7
205.10226	0.7
207.08136	0.8
213.05435	0.9
215.08580	2.4
217.06461	0.7
217.08499	0.7
218.07314	1.4
219.08061	2.2
220.08810	0.7
221.06219	0.6
221.09709	0.9
231.08173	3.0
232.08920	1.3
233.09680	3.9
234.10403	3.0
235.07594	2.0
236.08211	0.6
243.07980	0.7
245.09630	2.1
246.06729	1.0
246.10425	1.9
247.07600	2.3
248.08311	1.3
249.09091	0.8
250.09911	1.0
259.07617	2.2
260.08261	0.9
261.09128	3.1
262.09888	2.9
263.07050	1.2
263.10718	2.2
264.08063	0.7
265.12241	5.7
273.09085	1.7
274.09946	2.5
275.07095	0.8
275.10669	2.1
275.57968	0.6
276.07950	1.1
276.11340	0.5
277.08832	0.9
277.12238	2.3
278.09518	1.0
278.12866	0.7
279.10101	2.1
289.08658	1.3
290.09540	0.8
291.10168	5.5
293.11737	6.3
294.12509	2.5
295.09558	0.8
305.08487	0.9
305.11752	6.7
306.12500	7.7
307.09543	2.9
309.11475	0.8
309.14886	2.1
310.12045	4.3
322.11868	1.0
325.14362	18.8
325.18240	0.9
337.10651	1.7
337.14331	19.9
339.15930	2.0
355.11853	3.8
499.16687	0.9
517.17975	2.1
517.29517	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	517.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.1
55.96622	0.1
57.99119	0.2
70.96274	0.4
77.03958	0.2
78.14713	0.1
83.04958	0.2
84.08121	0.2
84.44619	0.2
86.06049	0.3
91.05479	1.1
93.07043	0.8
95.04960	0.2
103.05475	1.3
115.05454	1.8
116.04987	0.2
117.05737	0.4
117.07024	5.9
117.07854	0.4
118.06546	0.3
121.06503	4.3
127.05527	0.2
128.04955	0.5
128.06227	0.2
142.06526	0.3
143.07309	3.9
144.08089	100.0
145.06438	0.7
145.08452	0.5
146.06030	1.5
147.04330	0.2
155.06059	1.6
162.05470	0.4
172.03886	0.2
176.07083	1.2
178.08635	4.5
181.98354	0.2
190.04962	0.5
193.73264	0.2
204.06583	1.1
222.07623	6.8
226.78413	0.2
236.09161	0.3
321.86252	0.2
342.13263	0.3
365.14975	1.9
374.16000	8.0
485.20761	0.6
517.23364	27.6
518.23920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57712	0.3
53.03936	0.4
53.39286	0.3
55.05525	0.7
62.47603	0.4
65.03931	0.8
67.05518	0.4
69.03438	1.6
69.07056	0.5
69.91566	1.4
70.06575	0.3
79.05495	1.1
81.03423	1.9
81.07047	1.2
83.05024	0.4
84.08143	1.1
85.02895	1.1
91.05486	6.5
93.07030	1.2
95.04978	0.5
95.08586	0.5
97.02904	1.3
98.97584	0.4
103.05458	0.6
105.07038	1.2
107.04958	0.7
107.08610	2.4
109.02881	1.0
109.10177	1.1
115.05456	0.4
115.93648	0.3
117.07043	0.6
119.04955	15.9
119.08593	0.8
121.06506	5.4
121.10117	1.7
122.07305	0.6
127.03885	0.4
131.08574	0.7
133.10136	14.8
135.08064	1.5
137.09622	7.6
144.08153	1.6
144.10265	0.3
145.10213	0.4
147.04419	100.0
148.04694	0.7
149.09682	0.3
149.13284	1.0
163.03926	0.7
164.07014	0.4
165.05486	5.5
173.13292	0.9
191.14320	7.0
201.05562	0.4
291.08646	3.0
309.09738	6.4
374.16129	0.4
394.36966	0.4
517.25323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74639	0.7
53.03947	1.4
54.70897	0.7
55.05505	0.9
56.66518	0.6
57.03424	1.2
58.02965	1.2
65.03934	1.0
67.05478	1.9
67.64275	0.8
69.03429	3.1
69.07060	1.4
69.31692	4.1
69.32117	3.0
70.06592	1.1
71.04990	6.4
72.04519	24.7
79.05491	2.3
81.03388	1.1
81.07041	4.0
83.04992	1.8
84.08150	1.2
85.02915	10.5
86.06077	5.3
91.05482	5.1
93.07033	4.5
95.04980	1.7
98.06071	1.4
98.20679	1.6
103.05473	2.4
105.07042	4.8
107.04964	1.3
107.08599	10.5
109.06498	3.8
109.10145	4.8
116.07118	2.5
117.07080	2.3
119.04897	1.3
121.06515	15.7
121.10149	7.3
122.07305	2.9
123.08068	1.3
129.05479	1.9
131.08606	2.3
133.10136	100.0
134.10443	1.0
135.08064	10.7
135.11754	1.0
137.06085	1.1
137.09625	53.0
144.06557	18.8
144.10167	1.2
145.10181	1.2
147.04431	4.6
147.11699	1.4
149.13252	12.8
151.06326	0.9
151.11226	1.4
152.07066	1.5
158.10936	0.9
163.03931	1.4
163.14830	2.8
164.06975	0.9
166.05022	2.6
173.13264	4.6
178.08757	1.7
178.83574	0.8
180.06560	43.2
191.14313	60.8
192.06516	1.0
198.38736	0.8
206.08133	8.6
207.08363	1.0
209.15392	31.5
213.09120	1.4
222.07634	4.5
233.09200	1.5
237.08730	4.0
249.08716	4.2
251.10262	28.5
264.04974	1.2
277.08224	2.2
278.06625	11.2
279.09863	1.5
291.09708	2.3
293.11310	4.9
295.09247	8.2
319.09302	2.4
320.07709	2.5
337.10315	82.4
355.02890	1.8
365.10672	2.5
374.15945	1.0
420.30112	0.9
424.13077	2.1
425.12894	1.1
443.14441	11.0
517.22565	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3895
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03948	2.0
55.05518	13.2
57.03433	4.3
57.07078	2.7
60.04873	0.9
61.88277	1.0
63.35013	1.0
65.01060	0.9
65.03951	1.8
67.05170	1.6
67.05509	24.1
67.35207	0.9
69.07075	12.3
70.04389	1.0
71.38970	1.8
78.51584	1.1
79.05056	1.5
79.05499	17.9
81.06590	1.3
81.07066	26.3
83.04990	2.0
83.08611	7.1
85.06549	2.4
91.05492	15.0
93.06465	2.2
93.07046	26.8
95.05004	1.2
95.08620	24.2
97.06519	3.1
97.10179	3.5
99.08143	1.5
105.07035	20.7
107.08605	16.1
109.06508	1.2
109.10159	11.4
113.00056	1.2
117.07027	6.3
119.08595	18.5
121.10145	12.1
121.81406	1.0
123.11733	3.8
128.06291	1.0
129.07019	2.9
131.08578	12.5
131.92645	0.9
133.10139	14.9
135.08072	1.4
135.11714	7.2
143.08577	5.4
145.10136	11.7
147.11694	10.2
149.13277	4.7
155.08574	2.9
157.10191	4.1
158.26241	0.9
159.11711	9.3
161.09677	1.1
161.13289	5.7
163.14813	1.5
167.14410	1.2
169.10132	2.2
171.11732	5.4
173.13280	7.7
175.14851	2.9
177.12834	1.8
177.16556	1.1
183.11726	1.7
185.13268	4.1
187.14838	2.7
189.16362	1.8
195.11852	1.2
197.13243	1.7
199.14870	2.9
201.16490	2.4
211.14836	1.9
213.16512	2.6
223.14902	1.1
241.17845	1.8
241.19977	1.1
259.20578	2.7
273.22397	1.7
277.21945	1.4
285.22189	2.0
287.23795	1.2
299.23648	2.3
313.25351	2.9
331.26328	1.3
333.24084	1.2
361.27383	1.3
405.30212	3.2
407.28226	1.4
407.33304	3.2
425.34167	9.9
443.35318	4.7
499.37939	16.3
517.38989	100.0
518.39429	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
60.71343	0.8
67.74783	0.7
67.90407	0.7
70.94997	1.6
74.67373	0.7
81.07098	0.9
84.08147	2.0
85.21331	0.7
86.36236	0.7
91.05482	2.4
93.07043	3.3
103.05489	2.0
121.06522	16.5
121.07375	1.3
145.02846	1.5
164.07056	0.9
165.07788	0.7
177.05577	1.1
178.08667	1.7
180.06602	1.9
194.08148	3.3
203.05542	3.6
206.08308	0.9
208.09639	1.2
210.07697	2.3
218.07899	5.6
224.09224	2.6
236.09152	1.0
238.10739	7.7
248.09036	3.1
258.07352	1.3
266.10248	3.5
290.09900	6.3
296.11368	2.3
298.12869	13.7
331.16119	2.7
331.66269	1.3
338.12201	2.4
373.12646	1.4
440.16943	1.3
470.17792	2.0
500.18973	100.0
517.74103	1.0
518.20056	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	518.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03954	1.7
59.30772	0.3
61.08828	0.3
69.89069	1.4
77.03928	0.7
81.03418	0.5
87.04476	24.5
91.05490	8.2
91.96098	0.3
93.07050	11.0
95.04967	2.8
103.05478	9.3
104.05012	0.3
105.04538	1.1
117.05653	0.6
121.06515	44.6
132.04483	0.6
134.06029	1.3
135.19347	0.4
137.05951	1.5
144.04492	1.8
150.05505	0.5
160.03957	6.2
162.05516	4.7
163.22804	0.3
166.08679	0.7
176.07080	2.3
178.05019	4.5
180.06575	1.1
188.03487	0.7
192.06561	15.4
194.08144	23.6
201.05516	0.5
204.06674	0.9
206.04437	1.6
208.09714	0.9
220.06055	7.1
236.09183	4.0
238.07159	4.2
252.08643	2.0
264.08569	2.0
268.11752	1.5
273.78342	0.3
278.10245	6.7
280.08264	4.3
280.11865	5.6
292.08167	1.0
306.09750	3.7
312.10849	0.8
322.12903	2.7
324.10788	6.8
324.14529	0.5
338.12222	1.6
354.15396	1.4
366.11856	22.5
380.13525	3.0
398.14569	1.3
432.16800	0.8
486.17252	0.5
518.20264	100.0
519.20129	1.6
527.36969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.6
55.71732	0.4
65.33986	0.4
69.60711	1.6
69.61121	1.4
77.03946	0.9
87.04475	21.8
91.05489	8.2
93.07053	10.8
95.04977	2.7
103.05484	9.2
105.04523	1.2
106.06549	0.5
117.05481	0.5
117.31671	0.5
121.06515	48.6
132.04539	0.5
134.06021	1.3
134.33292	0.5
144.04480	1.8
144.92175	0.6
160.03952	7.1
162.05507	4.9
164.07028	0.5
174.05568	0.6
176.07124	2.2
178.04999	4.5
180.06479	0.7
192.06572	13.0
194.08144	24.8
204.06454	1.2
205.83008	0.5
206.04555	1.6
208.09744	1.3
220.06078	7.4
234.07651	0.6
236.09198	4.9
238.07153	4.6
245.41743	0.5
252.08740	2.6
264.08749	1.6
268.11841	1.3
278.10248	7.8
280.08215	4.4
280.11862	6.3
306.09726	3.5
312.10660	0.7
322.12811	3.0
324.10849	7.1
338.12311	2.0
354.15527	1.3
366.11874	23.0
380.13620	3.0
398.14365	1.3
411.31265	0.5
432.16534	1.2
486.17203	0.9
501.32224	0.5
518.20251	100.0
519.20642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
53.37786	0.5
63.22690	0.4
69.03427	1.3
69.23615	4.2
69.24027	1.2
70.06599	100.0
71.29760	0.5
81.03436	1.7
83.91573	0.6
85.02937	0.9
87.04509	0.5
88.46606	0.4
91.05494	0.8
97.02913	1.6
98.97579	0.4
99.04493	0.6
107.04944	0.6
108.12021	0.5
109.02888	4.7
112.07616	92.1
114.50881	0.5
116.07116	2.8
127.03946	1.0
137.05975	6.7
140.07080	64.4
143.04903	0.4
144.51161	0.4
147.04395	0.5
151.03909	1.0
152.90524	0.4
158.08150	12.4
161.06004	0.6
163.03947	0.9
177.05620	0.4
194.08089	0.5
200.09393	0.4
230.10297	1.3
236.09389	0.5
257.32611	0.5
266.10242	4.3
284.11295	19.6
296.07584	0.8
302.12372	4.6
309.11206	0.5
335.13165	0.5
338.08752	1.0
500.21164	0.6
518.16766	1.8
518.30286	0.7
519.18591	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05025	0.6
57.03439	0.2
58.06358	0.2
58.06633	0.4
59.07380	0.1
60.08163	6.2
67.05502	0.5
68.93740	0.1
69.07056	0.2
70.06573	0.2
70.09357	0.5
71.07373	3.0
75.74940	0.1
79.05499	0.5
81.07059	0.5
86.09705	29.9
91.05479	0.2
93.07059	0.4
95.08618	0.5
98.21381	0.1
98.98466	2.6
104.10747	2.9
105.07074	0.2
107.08588	0.4
109.10167	0.2
119.08587	0.2
121.10162	0.2
122.70470	0.1
125.00005	20.8
133.10130	0.2
163.01538	0.1
184.07339	100.0
185.07697	0.2
258.11179	0.2
309.55096	0.1
341.28094	0.1
455.34753	0.4
500.31140	1.1
518.32367	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66024	0.2
55.05510	1.2
56.05037	1.3
57.03432	0.6
58.06586	1.3
59.07387	0.4
60.08167	16.6
67.05507	2.5
69.07063	0.7
71.06979	0.4
71.07375	7.1
71.07997	0.7
79.05492	1.8
81.07042	2.4
83.13306	0.2
86.09708	50.3
91.05488	1.0
93.07046	2.0
95.08594	1.8
97.10220	0.3
98.98468	4.0
104.10748	100.0
105.07044	1.0
105.11106	0.4
107.08592	1.2
107.99062	0.2
109.06555	0.3
109.10181	0.8
117.07024	0.5
119.08602	1.0
121.10167	1.0
125.00011	28.6
131.08514	0.4
133.10144	0.7
135.11688	0.6
139.69208	0.3
143.08609	0.3
145.10173	0.3
147.11703	0.3
147.38237	0.2
159.11699	0.5
161.13358	0.3
163.01602	0.6
173.13437	0.4
181.02679	0.4
184.07347	91.3
185.07683	0.3
192.36017	0.2
258.11032	0.8
285.17651	0.3
335.25882	0.8
455.35577	0.3
500.31406	8.4
518.32446	33.4
519.32465	0.4
531.27228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50689	3.8
54.87370	3.7
55.05508	7.2
56.68052	3.4
67.05507	15.4
69.07066	13.7
71.04993	10.6
71.59223	6.1
79.05492	14.0
81.07055	38.1
83.08604	5.2
91.05482	10.0
93.07069	24.8
95.08607	70.8
97.06499	4.5
97.10195	6.6
105.07049	29.1
106.95375	4.2
107.08604	28.6
109.10172	29.5
115.07584	18.0
116.95258	3.8
119.08598	36.9
121.10148	45.1
123.11718	14.2
131.08565	16.8
131.96384	4.0
133.10156	30.1
135.11671	22.8
143.08566	9.6
145.10179	19.2
147.11693	19.4
149.13257	10.2
155.08472	5.7
157.10124	8.4
157.13376	4.4
159.11697	13.3
161.13260	13.3
163.14868	19.1
165.12799	3.7
167.10689	11.8
169.10136	3.7
171.11650	6.1
173.13223	9.9
175.14844	15.5
177.16382	12.4
183.11746	5.3
184.07378	3.9
185.13272	5.9
187.14839	14.5
189.16400	9.8
191.14201	6.3
191.17966	8.3
197.13300	5.7
199.14877	5.8
201.16411	11.9
203.17941	5.9
209.13153	3.9
211.14847	5.5
213.16402	15.0
215.17969	7.7
227.17918	5.3
240.26408	4.4
247.20723	4.7
253.19498	8.1
281.23111	4.2
323.27353	26.5
341.28354	28.5
401.32071	5.8
419.33124	19.6
425.34583	7.2
437.34244	50.4
443.34940	13.9
455.35416	100.0
473.36658	21.0
483.30878	5.8
518.41760	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	518.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.1
56.80339	5.3
60.08183	15.7
60.96245	6.9
67.05487	30.5
69.07065	20.1
70.28599	5.8
71.07365	6.0
71.08267	5.7
71.58734	9.3
74.09721	12.9
79.05486	30.3
81.07059	57.0
83.08630	6.2
86.09708	31.3
91.05480	19.9
93.07041	45.8
95.08604	74.3
104.10734	70.9
105.07029	36.2
107.08583	51.9
109.06560	7.4
109.10166	29.0
115.07550	13.0
117.06992	11.5
117.14872	5.1
119.08566	51.2
121.10113	45.2
123.08039	12.7
123.11744	16.7
125.00001	19.2
131.08582	28.0
133.10133	43.5
135.11688	38.8
143.08549	13.2
145.10117	29.1
147.11707	21.1
149.13229	19.0
157.10146	8.1
159.11716	24.3
161.13251	15.8
163.14842	24.1
167.10648	11.2
169.10165	6.8
171.11708	11.7
173.13263	27.1
175.14861	23.9
177.16321	30.7
184.07361	100.0
185.13202	9.7
185.97998	6.5
187.14813	18.7
189.16350	28.0
191.17941	11.2
193.76575	6.9
201.16422	13.9
203.14360	6.7
203.18018	9.6
205.05515	6.8
207.17383	8.3
209.13297	7.3
213.16426	10.8
215.17946	10.6
227.17986	10.2
229.19472	7.9
231.17639	6.9
239.18013	11.4
247.16821	7.6
247.20583	21.7
323.27139	31.0
326.13788	6.5
339.25632	12.4
341.28366	24.8
383.32788	6.1
393.31451	8.3
419.33054	17.8
425.34158	25.8
427.32288	7.4
437.34415	67.4
455.35654	72.9
473.35690	14.7
500.31100	12.3
518.32343	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.0
67.05490	5.2
69.07076	5.4
71.04990	2.7
71.58741	3.0
79.05467	4.2
81.07068	12.8
83.08599	3.2
85.99061	2.0
91.05474	6.8
93.07044	9.1
95.08621	20.4
97.06519	4.1
105.07045	10.6
107.08603	16.0
109.10179	11.2
119.08595	16.9
121.06540	3.6
121.10159	19.3
123.08075	3.6
131.08566	5.5
133.10132	11.1
135.11703	9.7
135.74268	2.4
143.08601	2.8
145.10118	10.7
147.11688	9.4
149.13269	6.1
157.10100	3.4
159.11699	6.9
161.13232	5.3
163.03949	3.3
163.14821	4.7
167.10683	10.3
171.11700	3.3
173.13235	5.5
175.14810	8.9
185.13321	2.7
187.14885	5.5
189.16345	4.6
195.13795	5.6
201.16383	4.5
215.17999	3.8
221.15404	14.3
229.19553	7.1
323.27283	6.8
341.28677	2.9
437.34225	12.1
443.72946	2.4
455.35245	100.0
456.35315	3.2
500.40915	6.4
518.37335	10.4
540.91907	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	519.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02420	0.5
59.09339	0.6
63.26647	0.6
66.74080	0.6
69.03442	0.6
69.23556	6.4
70.06593	0.6
73.04758	0.7
79.05492	1.9
80.16042	0.5
81.03407	0.8
81.07040	1.8
85.02905	0.8
91.05448	3.0
93.07040	1.7
94.04192	0.9
95.08609	0.9
95.79192	0.6
97.02895	1.2
97.12183	0.6
103.05475	2.1
105.07002	1.3
107.04943	1.0
107.49471	0.6
109.06516	0.8
119.04932	1.1
121.06548	3.1
122.03656	2.7
131.04861	0.7
133.02835	0.7
133.10091	1.0
135.04352	0.7
137.05984	27.7
145.02855	1.3
145.06519	1.1
145.10152	0.7
147.04356	1.5
151.03931	1.5
151.07541	1.0
159.08051	1.0
161.05980	2.6
163.03944	1.0
163.07552	0.7
165.05469	8.1
167.07043	2.7
175.07538	1.6
177.05479	2.8
180.06644	1.1
187.03673	44.7
199.07491	0.8
204.06519	0.9
235.07600	1.1
247.07370	0.7
249.09166	1.0
260.08426	0.8
261.09052	1.0
265.08633	1.4
277.08508	0.8
289.08673	1.2
291.10175	0.9
294.08563	0.8
297.11203	1.0
301.08655	1.1
302.09262	0.8
303.10022	0.8
305.06134	0.8
309.11227	1.3
315.10135	1.4
320.10507	0.7
322.12671	0.7
323.07483	3.1
323.12823	1.8
327.04654	0.9
332.10440	0.8
333.11124	1.6
335.12708	2.4
337.08871	4.1
339.12329	0.8
345.11261	0.8
347.12872	4.4
355.09967	14.6
359.07483	1.1
359.12704	1.2
365.13962	1.3
377.13870	2.0
439.15265	1.6
451.15442	1.1
471.18048	2.2
483.18100	3.8
487.12158	28.1
488.12537	0.9
501.19180	4.4
519.14667	100.0
520.14624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.9
56.96572	4.2
57.03446	4.8
58.12931	1.2
61.02930	4.0
69.03435	12.3
71.05011	5.8
71.57123	1.6
73.02929	2.7
79.05513	2.1
81.03433	4.0
81.07068	5.5
82.99860	2.9
85.02907	37.3
86.03210	1.9
86.09711	1.6
87.04474	2.3
88.80891	1.3
89.03932	5.7
91.04006	2.4
91.05496	4.8
97.02894	14.2
98.03231	2.1
98.97601	16.2
99.04495	2.4
101.00883	26.0
102.01612	1.4
107.04995	2.9
109.02939	3.3
109.06546	5.9
110.97588	3.0
112.99223	1.7
113.00899	3.1
113.45808	1.5
115.02448	5.3
116.98639	6.6
117.03339	3.0
119.01932	43.0
119.04979	2.4
121.06470	7.0
123.05566	2.7
127.02464	4.6
127.03918	7.5
129.05516	2.7
131.01904	12.1
133.03497	6.1
134.99734	1.5
135.04401	11.2
136.04759	1.3
136.06195	4.4
137.03023	3.7
137.04865	2.2
137.05984	47.6
138.06339	4.0
139.02432	5.4
143.00220	2.6
143.01909	18.4
145.03688	13.2
145.04845	7.8
146.03374	1.7
147.03316	1.4
147.04445	2.8
152.05737	6.1
153.04225	1.5
153.05424	1.7
155.01909	9.0
156.02711	1.9
157.03468	36.3
157.04765	2.3
158.99748	5.9
161.01233	3.0
161.03001	15.5
162.07735	1.9
163.03871	53.6
164.04268	9.5
167.01888	3.3
167.05568	3.2
169.03415	1.7
170.69072	1.3
170.99725	2.2
173.01657	2.0
173.02948	9.7
174.99150	2.1
175.04527	11.9
177.00732	3.9
177.04059	2.2
179.02136	4.8
181.03519	2.1
181.05565	2.8
183.01450	1.5
184.07411	2.4
185.03017	4.8
187.04547	5.0
189.00725	1.5
191.03983	3.6
193.01959	1.8
193.03549	2.4
195.05125	4.8
197.03015	7.5
199.04552	2.9
200.04510	2.2
201.00830	3.0
203.02428	2.0
203.04102	6.6
204.73874	1.3
205.05560	17.4
207.05211	2.1
209.03152	2.3
211.04611	2.9
213.06236	3.7
215.04124	2.3
219.01877	3.9
219.05144	4.2
221.03091	6.7
221.05156	15.8
221.06711	1.5
223.04663	3.3
223.06622	44.5
225.06183	5.8
231.05171	2.2
232.73607	1.7
233.06819	2.0
235.04555	4.6
237.02696	2.9
237.06152	12.0
239.04311	10.0
239.07800	2.1
241.07713	8.0
245.05112	13.0
246.05537	2.3
246.08328	2.2
247.04619	2.4
249.06107	10.3
253.05713	6.1
255.07260	5.5
257.05240	3.0
259.06778	4.1
261.03168	2.7
261.06183	3.9
263.06238	2.1
265.07730	15.5
267.07175	8.5
269.07986	3.5
269.58102	2.5
272.06665	2.4
273.06204	4.0
275.06357	3.9
276.06229	2.7
277.07755	5.9
279.07309	4.7
281.07193	11.8
291.07275	4.7
293.07288	1.9
299.06345	3.3
301.07916	2.5
323.09708	3.4
327.09427	3.7
337.09735	2.2
339.06058	4.2
339.09451	31.2
342.51907	1.9
347.58472	2.6
357.10355	100.0
361.10812	4.3
365.07233	2.4
366.07510	2.0
367.10956	30.2
369.10352	2.6
377.07797	1.7
385.08597	2.2
396.08582	2.8
399.11209	4.8
429.12390	4.1
501.13702	1.4
519.15601	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	519.1861
Annotation	Simplexoside
Peak:m/z	Relative Intensity
55.01869	0.5
61.02913	0.5
64.99134	0.4
65.03937	0.5
67.05486	0.5
69.03429	1.8
69.26692	4.1
69.27010	0.8
70.06593	9.7
71.06921	1.8
76.01225	0.4
79.05495	0.8
81.03402	0.7
81.07057	0.6
84.08052	0.4
85.02910	2.3
91.05500	1.9
94.04180	2.4
97.02888	0.9
103.05463	0.6
107.04932	0.8
109.02933	0.5
109.06502	0.6
112.07619	8.0
113.07944	2.9
115.03964	0.6
115.05446	1.1
117.07010	1.0
119.04933	1.1
121.06496	0.5
122.03658	6.2
127.03924	0.6
129.07007	0.5
131.04959	0.8
131.08533	0.5
133.06448	0.5
135.04358	0.5
137.05989	100.0
138.06384	0.5
140.07072	4.6
141.07405	1.9
143.04933	5.4
145.06456	0.8
147.04462	2.0
149.05988	0.8
151.03923	10.9
151.05040	1.0
151.07553	1.4
158.08188	1.2
161.05971	3.9
163.03987	0.6
163.07608	0.6
175.07544	3.0
177.05495	1.1
185.06038	0.5
187.07526	2.0
189.09177	0.5
191.07059	1.5
199.07635	0.5
201.09103	0.6
203.07045	1.9
205.06819	0.5
205.08531	2.3
207.13805	0.7
211.07664	0.4
213.09016	0.4
217.08524	0.7
231.08202	0.6
233.09650	0.8
235.07698	0.6
239.07065	0.5
241.08676	0.8
243.08064	0.5
245.09761	0.7
248.08406	0.7
249.09126	0.6
253.08810	0.5
261.09161	1.2
263.07086	0.6
263.10822	0.5
265.08673	1.3
267.10168	0.7
272.08447	0.5
273.08871	0.5
275.10739	0.5
276.07715	0.5
277.08630	1.3
278.09476	0.7
279.10135	0.5
283.09552	0.4
284.11334	0.8
285.11542	2.0
287.10669	0.9
289.08679	1.5
291.10193	0.9
293.11646	0.8
294.08945	0.5
295.09836	0.9
301.08667	0.8
303.10089	0.5
306.09222	0.5
307.09650	0.5
309.11127	1.0
315.09854	1.0
316.10623	0.6
317.08136	0.7
319.09683	1.0
320.10394	0.7
321.11273	2.0
323.12827	1.2
327.12314	7.9
332.10532	0.8
333.11176	0.6
335.12946	2.1
339.12259	0.8
346.12378	0.5
347.12857	3.6
357.13425	7.2
365.13776	3.2
377.13864	1.3
387.12250	0.7
395.14893	1.1
415.11911	0.6
429.12952	0.4
430.14413	0.5
439.14975	0.5
448.15118	3.6
471.17941	0.6
473.32419	0.6
483.18335	0.7
489.19055	0.9
501.19183	4.5
519.18823	31.3
520.19055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1861
Annotation	Simplexoside
Peak:m/z	Relative Intensity
52.76513	0.3
55.01862	0.5
62.76529	0.3
66.21921	0.3
69.03444	1.7
69.73180	1.7
69.73592	0.9
70.06598	5.1
71.06918	1.0
73.02918	0.4
75.95151	0.4
79.05492	0.8
81.03396	0.5
81.07035	0.5
85.02924	1.9
87.04472	0.4
91.05511	1.7
91.99170	0.4
94.04197	2.4
95.05038	0.5
97.02895	1.4
103.05470	0.4
105.07040	0.7
107.04955	1.0
109.02872	0.7
111.04460	0.3
112.07608	3.8
113.07948	1.5
115.05473	1.3
117.07027	0.9
119.04935	0.9
119.08636	0.4
121.02733	0.3
122.03650	5.5
127.03927	0.5
129.07024	0.4
131.04929	0.8
135.04390	0.3
137.05983	100.0
138.06285	0.5
138.63802	0.3
140.07054	2.1
141.07417	1.0
143.04939	6.7
145.06493	0.5
147.04402	1.0
151.03912	11.8
151.05011	1.0
151.07544	0.7
157.06425	0.5
158.08180	0.4
160.05223	0.5
161.05992	2.7
163.07590	0.6
167.07045	0.5
174.06775	0.5
175.07535	3.5
177.05472	0.8
178.79581	0.3
187.07544	1.5
189.09126	0.7
191.07111	0.8
199.07527	0.9
203.07051	1.3
205.06737	0.5
205.08549	2.4
211.07530	0.5
215.08601	0.7
217.08563	0.7
221.09608	0.3
241.08543	0.6
249.09126	0.8
251.07085	0.6
261.09259	1.3
263.07220	0.5
265.08667	0.9
267.87051	0.4
272.08456	0.7
273.09067	0.7
275.06879	0.3
277.08719	1.1
278.09387	0.5
284.11276	0.6
285.11594	0.8
287.10660	0.5
289.08621	0.9
291.10135	0.7
293.11813	0.7
295.09741	0.5
297.11237	0.9
300.07907	0.4
301.08640	0.7
303.09903	0.4
303.12839	0.5
304.11154	0.4
305.08371	0.5
307.09622	1.0
309.11288	0.5
315.09912	0.7
317.08041	0.5
319.09952	0.4
320.10471	0.7
321.11212	1.9
323.12820	0.7
327.12314	9.4
331.09586	0.6
332.10431	0.9
333.11435	0.5
335.13007	1.6
339.12320	0.7
341.13986	0.3
345.11377	0.7
346.12091	0.4
347.12997	2.8
353.13943	0.4
357.13379	7.1
365.14026	2.9
371.09335	0.4
377.13852	1.1
385.10513	0.4
387.11975	0.4
395.14920	1.3
413.14523	0.3
429.13394	0.4
430.14175	0.5
439.15396	0.6
448.15216	3.6
449.15741	0.8
471.18298	0.6
489.18304	0.8
501.19269	3.4
519.18811	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	519.1865
Annotation	Simplexoside
Peak:m/z	Relative Intensity
51.02375	0.2
53.03934	0.4
55.01859	0.6
57.03443	0.4
61.02927	0.3
65.03925	0.4
66.04728	0.3
67.05486	0.4
69.03433	2.0
70.21156	0.9
71.04980	0.2
73.02909	0.4
77.29179	0.3
79.05501	0.8
81.03406	0.9
84.08133	0.9
85.02907	3.0
86.66702	0.2
91.05469	0.7
93.07016	0.3
94.04199	2.1
97.02906	1.3
98.21544	0.2
103.05473	0.2
107.04956	0.5
108.02100	0.4
109.02911	0.5
112.11182	0.2
115.05466	1.5
117.07009	0.8
121.06516	0.6
122.03661	5.3
123.04408	0.2
127.03925	0.5
131.04947	0.5
137.05984	100.0
138.06273	0.2
143.04924	6.9
145.05005	0.3
145.06459	0.4
151.03922	21.5
151.05019	1.7
161.06027	0.3
165.05452	0.6
175.07568	2.6
178.08765	0.2
184.55396	0.2
187.07608	0.3
191.07031	0.3
203.07043	1.6
205.08618	3.2
221.29860	0.2
265.08612	0.2
277.08716	0.2
284.10242	0.2
295.09589	0.3
311.12811	0.3
321.11191	1.5
327.12296	13.3
339.12256	1.9
357.13351	10.3
489.17542	0.8
519.18622	36.2
520.18738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1868
Annotation	Simplexoside
Peak:m/z	Relative Intensity
53.03937	0.5
55.01870	0.5
57.03432	0.4
61.02915	0.6
62.34470	0.2
67.05535	0.2
69.03436	1.6
70.06609	0.2
70.90880	0.4
70.91233	0.2
71.01379	0.2
73.02902	0.4
79.05483	0.3
81.03413	0.8
81.07063	0.2
84.08150	2.8
85.02908	3.0
85.08467	0.3
87.04473	0.4
90.08204	0.2
91.03939	0.2
91.05473	0.7
93.03442	0.3
94.04192	1.9
95.04980	0.3
97.02894	1.3
99.04426	0.2
108.02112	0.3
109.02892	0.4
115.05460	0.8
117.07047	0.8
122.03650	5.1
127.03918	0.4
128.06187	0.2
128.10721	0.4
131.05006	0.2
137.05984	100.0
138.06332	0.3
141.05476	0.3
143.04932	7.7
144.10161	0.4
145.04922	0.2
145.06471	0.4
145.10556	0.2
146.11752	0.8
151.03914	14.5
151.04959	0.7
160.05194	0.2
165.05484	0.3
175.07584	2.1
177.09187	0.2
191.07085	0.4
203.07079	1.8
205.08630	3.2
314.02545	0.2
327.12292	12.9
339.20041	0.5
357.13333	7.0
357.20798	0.3
489.17606	0.7
519.18652	41.2
520.18726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.7
61.02949	0.5
69.03429	1.5
69.59518	2.9
71.49203	0.4
73.02937	0.6
73.04742	0.6
81.03401	0.6
85.02916	6.1
89.03938	0.9
91.05440	1.4
97.02879	1.9
98.20779	1.1
98.97574	1.8
99.04456	0.6
115.05489	0.8
116.98634	0.7
117.03349	1.3
117.05835	0.4
117.07024	1.4
118.06556	16.1
119.04892	0.6
127.03914	1.0
128.98637	0.5
130.06522	2.1
131.23323	0.5
132.08101	4.0
135.04437	0.9
137.05977	4.2
142.06482	0.9
143.07301	1.8
144.08101	11.5
145.02841	2.6
145.04958	1.6
146.06017	55.2
147.04427	0.9
155.06105	0.5
159.09203	5.7
160.07591	1.3
162.93468	0.5
163.03877	4.0
164.04201	0.5
167.05675	0.6
167.07060	1.8
170.06020	4.4
177.05482	3.5
188.07077	100.0
189.07352	0.5
197.28406	0.5
203.08022	0.6
205.09737	46.6
219.01671	1.0
237.02742	1.5
299.06107	1.8
344.97556	0.7
355.07220	1.0
357.14365	0.5
370.76944	0.5
371.04160	0.7
373.08292	0.7
405.08612	0.7
436.19641	0.5
519.11407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
56.05035	3.2
57.07072	0.6
65.03938	0.5
67.05512	2.8
69.07077	0.3
69.30793	0.3
70.06606	0.4
70.95402	0.6
84.08148	100.0
85.06544	1.5
86.09707	1.9
91.05481	7.1
93.07054	0.6
97.02887	0.3
98.21156	0.4
103.19042	0.3
117.03396	0.4
118.06573	1.1
119.04947	3.0
121.06519	1.9
128.10724	6.8
130.08653	11.2
131.04999	0.3
135.27483	0.3
136.58374	0.3
137.05978	7.8
144.04465	1.3
145.02859	0.6
146.06012	4.8
146.07077	0.4
146.11768	21.0
151.03925	0.3
162.05553	1.3
172.03923	0.6
176.07085	3.3
177.05502	0.6
178.08640	15.1
190.04958	0.7
192.06621	0.9
194.08241	1.0
204.06570	3.0
210.11339	1.0
222.07614	10.2
236.09225	0.6
238.07190	0.8
262.14435	1.3
288.12320	0.4
294.17099	0.4
306.13388	2.7
307.16653	0.9
331.86731	0.3
339.19165	0.4
351.15527	4.0
361.14594	0.4
390.15469	7.8
474.21490	1.2
484.25717	0.3
487.20990	1.1
505.24399	0.3
519.23492	54.1
520.24030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02994	1.2
55.05520	0.3
68.05016	0.3
70.06602	3.4
70.23657	0.8
70.24034	0.4
72.05651	0.3
72.08160	19.0
81.07084	0.3
84.08144	0.8
86.06080	0.3
91.05471	0.6
93.07059	0.6
97.02862	0.3
97.07664	11.0
98.97572	0.3
103.05483	0.3
107.08584	0.3
112.07751	0.2
112.08739	1.3
114.05572	0.5
114.10300	100.0
114.12811	2.3
117.61388	0.2
119.05000	0.3
121.06522	2.4
122.03681	0.4
137.05992	6.1
151.07549	0.4
161.06004	0.9
163.04013	0.3
163.07582	0.3
165.05496	0.3
175.07605	0.5
187.07585	0.5
211.07465	0.4
213.31450	0.3
221.09499	0.3
260.13925	0.3
261.09103	0.4
277.16638	6.4
277.19534	0.5
285.63864	0.2
293.11606	0.3
295.17691	3.2
297.11212	0.5
307.09677	0.3
309.11502	0.5
315.09988	0.4
321.11331	0.6
321.18417	0.3
323.12891	0.4
332.10486	0.3
335.12805	0.9
338.08878	0.2
347.12866	0.9
352.16589	0.3
352.66940	0.3
363.57224	0.2
365.14017	0.9
395.14691	0.4
471.17886	0.3
501.19098	0.9
519.19598	3.1
520.17834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03009	1.4
55.05502	0.4
69.36729	1.1
69.37135	0.4
69.39682	0.2
70.06602	3.6
72.05659	0.3
72.08162	20.5
83.67321	0.2
84.08122	0.2
91.05488	0.2
97.07665	11.3
103.05482	0.3
112.08765	1.2
114.10303	100.0
121.06490	1.1
131.53348	0.2
137.05989	0.6
139.35788	0.2
151.03906	0.3
175.07545	0.3
178.08774	0.2
181.57449	0.2
217.08694	0.2
277.16638	6.3
295.17682	3.0
311.02637	0.2
321.11234	0.2
367.11258	0.3
406.83813	0.2
425.21777	0.3
519.19043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
56.05037	0.6
64.31335	0.2
69.03439	0.2
69.86894	0.5
69.87309	0.4
70.06600	0.3
79.28892	0.2
84.08149	100.0
85.02922	0.2
86.09703	1.1
91.05458	0.4
95.04954	0.2
97.02891	0.2
114.10300	0.2
117.03373	0.2
119.04955	0.3
121.06504	0.4
128.10725	17.1
130.08612	0.2
137.05949	0.7
140.30185	0.2
143.08624	0.2
145.02849	0.4
146.11768	54.0
163.03827	0.3
165.05534	0.2
176.07051	0.2
177.05484	0.7
178.08627	0.8
203.91090	0.2
204.06645	0.2
222.07678	0.9
225.07768	0.3
225.14786	0.2
241.65921	0.2
248.16248	0.2
299.06177	0.3
374.15652	0.2
390.15356	0.4
394.75223	0.2
418.72763	0.2
501.25653	0.7
519.18439	2.0
519.24304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03955	2.7
53.44499	0.4
55.01859	0.6
67.05514	0.5
67.59850	0.4
69.03438	7.3
69.26367	1.0
69.26777	2.8
77.03905	0.7
81.07053	0.4
84.08119	0.5
84.10945	0.5
85.02908	1.6
87.04457	1.2
91.05487	10.2
93.06481	0.8
93.07052	13.7
94.89605	0.4
95.04972	3.2
95.08605	1.1
97.02894	1.8
103.05474	9.5
105.04511	1.5
105.07024	0.6
107.08594	2.6
109.06532	0.9
115.03919	1.3
117.05502	0.9
118.06541	0.7
119.04913	0.8
119.08558	0.5
121.06515	48.1
121.10149	1.7
122.06822	0.5
123.11727	1.1
125.09624	2.3
131.08597	1.0
133.05022	0.7
133.10121	1.9
135.08038	1.8
135.11674	0.9
137.06027	3.2
137.09615	1.2
138.06364	0.6
143.94191	0.4
144.04507	0.4
145.10077	1.0
146.06013	0.6
147.04369	0.7
147.11725	1.0
149.09590	0.9
149.13225	0.5
153.09113	1.4
158.05975	0.7
160.03984	1.0
160.07700	0.5
161.05859	0.5
162.05463	1.0
162.06766	0.9
163.07607	0.5
163.14888	0.8
165.12756	0.5
172.03920	0.7
173.13310	2.7
174.05453	0.5
176.07040	1.0
177.05583	0.6
178.04982	0.7
186.05518	1.7
188.07082	1.4
190.05096	0.8
191.14322	13.3
192.06587	1.4
194.08130	2.1
202.08656	1.0
204.06512	2.2
206.08017	0.7
209.15385	23.6
218.04573	2.3
218.08156	6.0
220.06386	2.2
220.09705	10.1
223.82106	0.4
232.06032	4.5
234.07628	7.3
236.05504	2.2
238.07230	1.7
246.07570	1.2
248.05609	1.1
250.07129	7.1
252.08696	9.9
260.05655	0.9
262.07281	0.6
264.08624	2.7
266.06595	5.4
266.09439	0.6
266.10550	0.7
268.08145	0.7
278.06564	1.5
280.08179	17.5
282.09747	25.1
294.06165	1.7
294.09695	1.3
294.13364	0.8
296.11218	0.9
306.09744	1.2
306.14090	0.4
308.07651	9.2
308.10785	0.7
310.09030	0.8
324.10733	7.3
325.10721	2.2
326.08755	9.4
326.12299	1.0
338.08786	1.0
340.10117	1.6
340.13620	3.7
356.13400	2.6
368.09778	34.8
382.11481	3.7
400.12677	1.3
488.15662	1.0
490.17303	0.5
502.17160	0.7
520.18146	100.0
521.18390	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35212	0.6
65.03936	2.5
68.05827	0.6
69.37952	1.6
69.38358	3.2
81.07043	1.3
85.02901	1.2
91.05486	39.8
98.21519	1.1
108.04407	0.6
109.06541	1.6
112.13555	0.6
119.04951	19.6
133.05260	0.6
134.05940	1.2
137.05986	100.0
138.06306	1.1
150.05423	0.8
158.06018	1.0
159.06831	0.7
162.05487	1.1
166.05016	4.3
178.05000	1.9
180.06595	6.0
181.06784	0.8
204.06532	1.1
206.04495	16.0
206.08195	2.2
210.07658	1.0
218.08133	5.1
220.06082	7.8
220.09688	1.6
222.07716	0.8
224.05548	45.3
238.07111	15.7
248.05563	2.1
248.09042	0.8
250.07126	8.7
253.83902	0.6
262.06909	0.8
264.08694	21.2
265.09409	1.2
266.06625	22.6
266.09552	1.4
268.08191	22.1
280.08160	6.8
280.11334	1.2
282.09738	5.4
310.09213	64.5
322.12784	0.9
323.13205	1.3
324.10693	18.6
342.09836	1.1
352.10275	27.2
360.10840	3.9
384.10812	1.1
386.12332	1.4
402.11917	3.8
404.13376	4.1
446.14478	58.2
447.15051	0.9
488.15521	2.4
520.14636	1.9
520.21228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09880	0.4
65.03942	2.2
69.03416	0.6
71.09645	0.9
71.11410	0.4
79.05499	0.7
81.07049	0.9
85.61452	0.4
91.05486	35.4
93.07028	0.6
96.74391	0.4
103.05461	0.7
106.06512	0.5
109.06525	1.3
114.10236	0.4
115.46563	0.4
117.05504	0.7
119.04949	16.7
121.02904	0.5
121.06503	2.1
133.05170	0.6
134.05995	0.9
135.04436	0.6
137.05986	29.5
138.06323	1.2
142.04968	0.4
144.04443	1.2
145.02895	0.4
146.05998	0.9
151.03902	1.7
152.04256	1.0
157.43118	0.4
160.03929	1.8
160.07642	0.9
161.06052	0.4
162.00931	0.4
162.05518	4.4
164.07053	0.6
164.90222	0.4
175.07597	0.4
176.07106	2.7
177.05473	1.5
178.05048	1.3
180.06575	0.9
188.07068	1.0
191.05779	0.8
192.06572	3.0
194.08121	7.4
204.06544	3.1
205.07326	0.5
206.04808	0.6
206.08154	1.3
216.06557	1.0
218.08180	0.8
220.06052	0.8
220.09773	0.5
221.10405	0.8
232.06055	4.9
234.07643	3.2
238.10918	0.6
248.09242	3.6
250.07106	12.1
252.08792	3.7
260.05670	0.5
264.08685	33.1
266.10260	49.4
267.10660	0.5
274.07266	0.6
278.06647	2.7
280.11865	1.9
292.08163	12.9
306.09674	0.6
308.11279	8.7
310.09225	14.4
324.10840	3.8
340.13812	3.4
342.25235	0.5
352.10275	35.7
366.11865	5.3
384.13049	1.5
488.15558	1.0
520.18115	100.0
521.18286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
53.88469	0.6
54.21694	0.6
56.96547	0.8
57.03426	2.5
65.03931	2.9
69.03449	0.9
69.43932	5.4
71.05002	1.1
78.22601	0.7
79.05524	0.8
81.07038	0.9
83.04965	1.3
84.08115	0.8
85.02913	40.4
91.05489	30.8
93.07046	1.1
93.38737	0.6
97.29135	0.7
98.21464	1.5
98.97594	0.9
101.06033	2.1
105.42068	0.7
109.02911	0.7
109.06519	1.9
111.04424	3.3
113.02379	0.8
116.05025	1.1
117.05764	2.0
118.06541	4.1
119.04955	14.0
121.06497	2.9
129.05455	2.0
131.03407	3.3
132.08089	0.8
134.06029	0.9
134.09683	1.3
135.04475	0.8
137.05994	32.4
138.06302	2.2
144.04465	8.6
146.06018	17.1
151.03934	3.2
152.04233	1.6
162.05510	6.5
162.83296	0.7
163.03911	2.7
169.72124	0.7
172.03992	3.9
176.07083	11.9
178.08641	46.5
190.05011	2.9
194.08168	2.0
203.09157	1.6
204.06561	7.8
222.07629	6.1
264.08749	2.1
266.10306	2.5
280.68628	0.7
292.08289	2.4
306.09741	6.9
308.07877	1.3
308.11319	13.5
310.09161	1.5
320.07764	1.6
322.11270	0.9
329.12296	1.6
334.09235	7.0
340.13202	0.9
347.13345	2.0
352.10272	43.1
358.13739	1.5
366.11966	1.9
384.12845	1.1
390.15610	0.9
434.78171	0.7
465.84738	0.8
488.15512	4.0
520.18152	100.0
521.18463	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01867	0.6
55.05516	7.3
57.03449	6.0
57.07075	0.8
60.04507	0.5
60.08163	3.5
61.08492	0.7
65.03946	1.7
67.05508	28.6
68.05815	0.5
69.03428	0.6
69.07077	6.8
70.02931	0.6
70.71412	1.1
71.04971	0.6
71.07377	2.3
72.07679	0.5
79.05061	1.0
79.05500	15.3
80.74001	0.4
81.07063	22.6
83.04981	0.8
83.08614	2.7
85.06553	0.6
86.09711	12.9
87.10025	4.3
88.03982	6.0
91.05476	6.7
93.06463	0.9
93.07050	15.3
95.04972	1.6
95.08611	18.3
97.02848	0.5
97.06537	1.1
97.10158	0.7
98.98475	5.9
104.10802	1.0
105.07033	4.9
106.05017	1.2
107.08595	6.8
109.10154	7.4
117.07055	1.3
119.08563	3.2
121.06482	0.9
121.10150	6.4
123.08086	0.7
123.11729	1.7
125.00011	10.5
125.00884	0.9
126.00347	1.3
127.00430	2.0
131.08574	2.3
133.10133	1.9
135.11702	2.1
137.13318	0.6
145.10115	1.5
147.11717	1.5
149.13258	1.7
159.11703	0.9
161.13164	0.7
173.02164	0.9
173.13298	1.3
184.07352	41.1
185.07724	15.4
186.07803	12.1
187.12019	0.5
261.22131	1.3
269.10599	1.2
278.08484	0.5
287.20450	0.4
316.11755	0.7
335.25815	100.0
336.26172	1.1
348.25388	1.3
502.32126	0.5
520.32941	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32188	2.1
53.03952	2.8
55.05521	11.9
56.96552	3.8
57.03432	6.4
60.04521	20.8
60.08143	3.3
61.02926	4.6
67.05179	3.6
67.05505	47.7
69.03428	2.6
69.07053	11.0
70.02943	6.4
71.57867	4.0
73.15354	2.8
79.05132	2.4
79.05505	31.0
81.07063	40.9
83.08628	6.7
85.02898	3.9
86.09689	9.3
87.10056	2.9
88.03996	99.0
88.04541	5.4
91.05470	16.5
93.07050	36.9
95.04961	3.6
95.08607	38.3
97.02838	2.6
97.06528	4.5
98.98470	51.1
104.10735	8.2
105.07034	11.4
106.05037	46.4
107.08598	19.1
109.10165	16.9
117.06995	3.0
119.08569	9.3
121.06498	2.8
121.10156	17.6
123.11681	4.8
124.99968	6.5
131.08583	5.5
133.10106	9.9
135.11682	8.8
137.09555	2.5
145.10130	6.0
147.11679	6.5
149.13229	7.4
155.01033	17.6
158.99556	2.3
159.11653	6.3
161.13274	4.3
163.14816	3.9
172.78430	2.3
173.02092	10.4
173.13298	4.1
184.07370	22.3
185.07613	7.0
186.07793	6.4
187.14857	3.3
220.13994	2.6
233.72990	2.2
243.21173	7.3
260.05322	4.5
261.22150	30.4
267.09094	4.2
269.10513	5.0
285.10144	4.4
293.50500	2.5
316.11771	4.7
335.25815	100.0
335.94257	2.7
336.26468	2.8
348.25333	10.0
349.16827	4.9
365.15317	3.9
367.17789	3.1
372.63846	2.5
415.22498	6.1
502.32449	4.0
520.33112	6.8
549.46442	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	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87010	0.3
55.01871	1.6
55.05528	0.4
65.03947	0.7
67.05522	0.9
69.03429	2.0
69.07101	0.3
71.04991	0.6
71.56339	0.4
79.05499	4.1
81.07064	0.8
82.82201	0.3
84.08151	0.4
85.02902	0.8
85.14834	0.3
91.05482	4.5
93.07053	3.0
95.04971	5.2
95.08605	4.3
97.02913	0.6
105.07021	3.7
107.05007	0.7
107.08600	13.9
109.06511	3.0
109.10164	2.1
114.10280	0.4
115.03916	0.4
115.05477	1.3
117.07028	4.1
119.06040	0.5
119.08578	0.6
121.06506	1.4
121.10123	0.9
122.83627	0.3
123.08093	0.3
130.43196	0.3
131.08571	1.9
133.10153	1.3
135.08061	100.0
136.08415	0.3
137.06007	1.5
138.06314	0.4
145.10135	0.4
147.11734	0.6
149.09644	1.8
149.13249	0.5
150.03151	0.3
173.13278	4.1
191.14317	85.7
204.83258	0.4
209.15488	1.5
219.17455	0.4
220.42714	0.3
278.08902	0.4
279.10028	0.4
322.11441	0.5
324.13354	0.3
328.12646	0.7
358.13422	0.5
440.31085	0.3
520.16174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01879	1.8
55.86513	0.4
57.03449	0.6
65.14446	0.4
67.05514	1.4
69.03438	2.9
69.07084	0.5
70.65505	1.2
70.65836	0.5
71.04974	0.7
79.05506	4.5
81.07063	1.5
85.02927	1.2
85.06543	0.6
91.05489	4.5
93.07059	2.6
95.04971	4.8
95.08610	3.1
97.06518	0.8
98.02365	0.5
105.07043	4.1
107.08608	13.7
109.06524	2.5
109.10163	2.0
115.05462	1.7
117.07012	3.3
119.06056	0.9
119.08567	0.9
121.06486	2.8
121.10144	0.8
131.08626	2.3
133.10158	1.3
135.08064	100.0
137.05995	1.8
138.06300	0.7
145.10089	1.1
149.09604	1.4
173.13309	4.3
177.37738	0.5
191.14319	83.2
209.15395	1.3
322.11316	0.6
340.13312	0.5
351.29138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01867	1.0
55.05497	1.9
57.03445	2.6
57.07066	0.9
59.04999	2.2
61.02928	1.1
66.88263	0.4
67.05505	2.9
69.03434	7.3
69.07079	4.9
69.32713	3.4
71.04996	6.1
73.02916	1.9
73.06541	0.7
75.39049	0.4
79.05482	1.4
80.05016	0.6
81.03420	3.1
81.07063	6.6
83.04951	0.8
83.08628	1.0
84.08128	1.3
85.02908	19.4
85.06551	3.6
87.00832	11.2
87.04488	0.8
91.05472	2.8
93.05785	0.4
93.07052	8.2
94.06563	2.0
94.18715	0.4
95.04976	1.5
95.07347	1.3
95.08042	0.6
95.08607	7.8
96.08128	3.3
97.02898	7.2
97.06538	0.6
97.10161	0.8
98.21435	0.9
99.04454	2.1
103.05461	0.5
105.01871	29.8
105.07035	1.7
107.08610	6.0
108.08122	2.5
109.02888	4.4
109.10141	3.5
110.09694	5.1
112.51919	0.4
115.03916	0.7
117.06996	0.5
119.08620	1.1
120.04485	3.6
120.08108	4.7
121.06519	3.2
121.10173	3.8
122.06039	1.0
122.09682	0.6
123.06863	0.5
123.11714	7.4
124.07568	1.0
127.03922	13.6
128.75470	0.5
131.08487	0.5
133.10153	1.4
135.08044	1.0
135.11681	1.6
136.07591	2.7
137.05971	0.8
138.09151	7.6
145.04970	6.9
145.10092	0.6
146.06047	1.3
147.11664	0.6
148.07590	1.4
149.09537	0.4
149.13258	5.1
150.09196	1.0
151.14844	0.8
152.07068	1.3
152.10683	0.9
153.12743	0.7
155.08250	0.4
159.02913	1.2
159.04213	1.4
161.13306	0.5
163.03931	1.0
163.11272	0.5
164.07104	1.1
166.08653	7.4
167.14313	2.2
173.13324	1.4
180.10188	0.7
182.11761	0.7
189.04019	0.7
191.14291	1.8
194.08180	1.4
196.09959	0.7
197.10742	0.6
209.10782	1.2
209.15375	4.6
210.11534	0.5
211.08771	0.6
211.12199	0.5
212.09491	0.6
213.04013	0.8
213.10184	0.7
221.10686	0.9
223.08644	1.8
223.12254	0.9
224.09427	1.3
225.10237	3.0
226.10832	0.4
231.05019	8.2
233.10797	1.2
235.08623	2.5
236.09427	1.5
237.10248	9.8
238.11002	2.0
239.08151	1.9
239.11755	4.6
241.09804	1.4
241.13382	0.6
245.12743	0.5
248.09383	1.8
249.06111	11.4
249.10156	6.3
250.11078	2.9
251.08191	4.5
251.11765	6.9
252.09004	0.7
252.12650	1.3
253.09700	5.4
255.11171	0.8
261.10297	3.5
262.11060	0.9
263.08304	0.8
263.11823	4.0
264.08875	0.9
265.09766	10.3
266.10419	1.5
267.11288	5.3
269.09265	0.5
271.10849	1.6
276.09094	0.5
277.09766	2.5
278.06586	0.4
278.10495	3.5
279.07730	3.5
279.11322	11.6
280.09299	0.4
280.12048	2.1
281.09268	1.9
281.12933	1.8
282.09998	0.6
283.10825	8.1
285.12418	0.8
287.14014	1.2
289.09750	7.8
290.10599	0.8
291.11313	2.1
292.11880	0.5
293.09308	1.7
293.12921	4.2
294.10010	6.2
294.13266	0.5
295.10767	4.0
295.13950	0.7
296.11578	3.5
297.09195	0.9
297.12500	1.3
299.10284	1.8
307.10736	2.4
308.11618	1.1
309.08972	0.9
309.12399	2.2
310.13239	1.0
311.10281	6.5
311.13922	2.3
312.11078	3.1
313.11835	1.2
314.12744	1.0
317.09180	1.0
323.10339	1.1
323.14041	0.9
324.11078	2.7
325.11874	1.3
326.12631	5.3
327.13437	6.0
328.14233	0.6
335.10291	7.8
336.11011	0.6
337.11975	0.8
339.13409	53.5
340.10486	3.5
352.10654	1.2
353.11600	0.9
354.12183	5.9
354.16205	0.9
355.12891	13.0
356.13409	0.6
367.12906	38.8
368.13162	0.8
418.17856	0.6
427.14050	0.5
444.19177	0.7
447.17673	0.5
460.18713	1.6
479.20273	2.1
488.18213	11.9
492.21344	7.2
502.19473	1.4
520.20831	100.0
521.20746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3403
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05504	1.3
56.05022	1.3
57.03433	0.3
58.06576	1.6
59.07373	0.4
59.47894	0.3
60.08165	17.2
67.05508	3.2
67.23016	0.3
69.07063	1.9
70.06597	0.5
71.07381	6.3
79.05476	0.9
81.07056	3.7
82.20316	0.3
83.08635	0.6
86.09708	48.5
91.05499	0.3
93.07021	0.7
95.08608	2.3
97.06574	0.4
98.98473	3.3
104.10747	100.0
105.07030	0.5
107.08617	0.8
109.10152	0.9
110.25925	0.3
116.49613	0.3
119.08597	0.6
121.10120	0.6
123.11702	0.3
125.00009	29.9
133.10135	0.5
161.13289	0.4
161.15182	0.3
163.01517	0.5
166.02737	0.3
166.06400	0.3
181.02618	0.4
184.07344	92.7
249.89236	0.3
258.11023	0.9
282.21631	0.3
337.27475	1.0
398.57236	0.3
502.32983	10.0
520.34021	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
56.06005	2.1
56.96536	2.1
57.03432	5.9
57.37094	2.3
61.02912	4.1
69.03421	12.2
69.43767	15.3
71.04988	11.4
73.02917	3.9
79.13906	2.1
81.03389	3.2
82.99860	4.5
84.08089	2.5
84.90818	2.1
85.02911	39.9
87.04464	3.1
88.62431	1.9
91.03928	3.3
91.05469	5.0
97.02901	10.5
98.97585	22.6
99.68534	2.2
101.00889	35.9
103.05481	2.3
110.97551	2.3
111.00037	2.0
115.02412	2.4
116.98645	3.7
119.01921	35.7
119.04963	6.0
127.02409	5.1
127.03895	8.6
129.05470	3.5
131.01872	3.2
131.04927	9.8
133.03519	4.1
137.05962	27.4
138.06372	2.3
139.02411	6.5
143.00191	2.5
143.01907	21.2
145.03516	11.4
145.04985	7.3
147.03246	2.3
147.04358	4.7
150.43382	2.3
155.01868	4.9
157.03462	34.6
158.99626	4.6
159.03110	2.4
161.01160	3.9
161.02950	9.9
161.05977	2.8
163.03876	6.6
165.05499	2.3
167.06995	2.8
170.99605	2.9
173.01302	2.1
173.02917	5.6
175.04538	13.4
177.04080	3.3
177.05495	2.9
180.56804	2.2
181.03435	4.4
185.02940	4.1
187.04538	4.1
192.04697	2.9
195.05005	10.8
203.03934	2.8
205.03687	3.2
205.05562	21.6
213.06075	3.3
219.05106	3.7
221.03166	2.6
223.04642	3.7
223.06619	100.0
225.06316	5.4
237.06194	7.4
239.04346	9.8
241.07704	18.3
243.07327	2.2
245.05035	3.7
246.08247	2.9
249.05965	4.7
249.08266	6.4
255.07164	5.4
265.07751	12.8
272.06839	2.3
273.07486	2.9
277.07721	31.7
279.07159	3.5
291.07016	4.0
303.05527	4.1
309.07971	2.7
321.06726	21.9
339.07727	87.1
341.07086	3.9
349.09912	3.0
357.10294	6.3
359.11749	9.3
367.10770	16.6
387.13535	30.7
521.16052	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	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.4
52.32824	0.4
53.03952	0.9
55.01871	0.4
57.03436	0.6
60.40237	0.3
61.02628	0.3
61.02921	0.4
65.03939	0.4
69.03429	1.3
70.62390	0.7
70.62778	0.8
77.03944	0.4
79.05489	0.8
80.82900	0.3
81.03428	0.5
85.02911	2.8
87.04473	1.1
91.05491	3.8
95.04980	0.8
97.02898	1.4
103.05475	48.2
105.07047	3.6
107.04931	0.6
115.05470	1.1
118.04211	0.4
119.04954	4.8
122.03645	0.6
122.79925	0.3
131.04935	100.0
133.06464	2.1
137.05995	10.3
138.06317	0.6
143.06081	0.4
145.02838	0.4
147.04424	5.4
149.05988	0.5
151.03909	1.1
151.07530	0.6
159.08092	0.4
161.05998	6.0
162.05495	0.4
163.07552	35.1
175.07550	1.1
177.05472	0.8
179.07034	3.2
187.07561	1.2
193.06891	0.4
194.08151	1.4
195.08437	0.8
205.22630	0.3
239.82440	0.4
279.10141	0.8
311.12784	1.0
313.14499	0.4
323.12903	0.4
325.11166	0.8
341.14029	0.6
344.40332	0.4
442.14590	0.4
521.18591	5.2
522.15967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09221	0.3
51.91314	0.4
53.03942	1.0
55.01872	0.7
56.05054	0.4
69.63680	1.1
69.64094	1.4
70.06597	5.8
71.04987	0.5
71.06130	0.9
72.97044	0.3
73.02898	0.3
77.00637	0.5
77.03945	0.5
79.05489	0.9
84.04513	1.8
84.08149	6.6
85.02917	1.2
85.08488	2.4
86.00681	0.6
86.95564	0.4
91.05489	0.5
95.04963	0.7
98.21021	1.3
102.05563	0.4
103.05479	53.4
103.70852	0.4
105.04503	0.4
105.07037	4.1
109.09096	0.4
112.02184	0.4
115.05461	1.0
118.03251	1.4
119.04974	1.1
121.06484	1.0
128.10706	0.5
130.03210	1.5
130.08669	0.4
131.04942	100.0
133.06509	3.7
137.06013	4.0
140.01656	1.7
146.06107	0.4
146.11781	1.7
147.04596	0.7
147.05870	4.5
147.12109	0.6
151.03925	0.3
161.05997	10.3
163.07561	31.4
175.07507	0.6
178.08626	0.5
179.07164	0.8
179.08896	0.5
185.57002	0.4
187.07545	1.1
192.10291	0.5
236.09369	0.5
243.04292	0.6
243.97638	0.4
263.13995	3.9
266.10208	0.7
277.12314	2.0
277.15097	0.4
279.10141	0.7
291.10095	0.5
311.12708	0.9
322.22736	0.5
391.11081	4.3
402.32605	0.4
503.15961	1.0
521.16687	0.6
521.24597	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
57.03429	0.4
57.32780	0.4
59.02152	0.4
69.03419	0.5
69.84747	2.0
81.03395	0.4
85.02903	2.3
87.04494	2.0
91.05484	5.4
92.05826	0.5
95.04976	0.6
97.02897	0.6
98.21101	1.3
102.83320	0.5
103.05472	51.1
105.07035	2.1
119.04958	4.0
127.03917	0.5
131.04933	100.0
133.06511	2.9
137.05991	8.7
138.06331	1.0
147.04413	3.7
149.74680	0.4
151.03937	1.2
151.07559	0.8
161.06003	6.2
162.06836	0.6
163.07550	36.8
175.07581	0.6
179.05551	0.7
179.06992	3.2
187.07509	0.7
192.06528	0.5
194.08133	1.3
195.08511	1.4
257.54526	0.4
279.10114	0.5
280.08310	0.5
282.09766	0.8
291.10410	0.4
311.12943	0.6
341.13873	0.5
366.11804	0.5
367.11914	0.6
416.46390	0.5
440.81113	0.4
514.51764	0.4
521.18549	10.7
522.15979	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.7
51.33551	0.2
53.03942	0.8
57.46623	0.3
65.03948	0.2
69.03423	0.3
69.88799	1.4
72.51913	0.2
77.03934	0.7
79.05495	0.4
79.82197	0.2
81.03379	0.2
85.02922	0.8
91.05489	1.1
95.04978	0.8
103.05474	51.6
105.04514	0.4
105.07042	4.0
107.04947	0.5
115.05466	0.7
118.04167	0.3
119.04982	0.8
131.04936	100.0
133.06499	4.1
137.05984	5.2
143.05971	0.3
145.02905	0.4
147.04408	1.4
161.03976	0.3
161.05994	10.7
163.07550	29.5
169.27251	0.2
175.07584	1.1
177.05478	0.5
179.07059	0.7
187.06157	0.3
187.07555	1.9
194.08218	0.3
217.08510	0.7
251.10666	0.3
264.47345	0.2
279.10040	0.4
291.10114	0.9
299.71967	0.3
311.12875	1.3
323.12982	0.4
351.14676	0.2
360.06644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14032	0.6
69.03436	0.8
69.83536	3.4
74.02430	0.9
82.87268	0.6
84.07900	0.6
85.02895	1.9
91.05471	1.7
115.05426	1.2
117.05758	1.4
117.07060	1.0
118.06542	16.5
121.06499	2.7
127.03947	0.9
130.06580	1.1
132.08086	6.0
137.05954	1.6
142.06532	1.4
143.07341	1.8
144.04483	0.6
144.08095	14.2
146.06020	60.7
147.06351	1.2
159.09227	6.1
170.06030	4.6
184.01654	0.6
188.07083	100.0
189.07419	1.9
197.67192	0.7
205.09738	45.8
206.10088	0.8
248.73634	0.7
352.73712	0.7
417.51080	0.7
512.01929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02409	0.4
53.03929	0.5
54.17268	0.4
57.02343	0.4
57.03425	1.4
65.03933	2.7
66.87349	0.3
69.03423	0.6
69.70617	0.4
70.06585	0.5
70.95380	0.8
71.01352	0.9
79.05491	0.9
81.03398	0.5
81.07047	0.7
85.02909	29.9
87.04452	1.1
91.05486	29.4
97.02895	2.5
103.03985	0.6
103.05463	2.8
104.05019	0.6
104.05804	1.2
106.06544	1.4
107.04958	0.6
107.07347	0.7
109.02841	0.4
109.06508	1.4
113.02362	0.8
117.03356	1.0
119.04958	13.6
120.04437	0.8
120.08034	0.5
121.08878	1.2
122.05986	0.5
127.03858	0.5
131.03421	2.2
131.04916	5.3
132.04419	0.9
132.05260	2.3
132.08073	0.4
133.06503	0.5
134.06023	3.9
136.03880	0.5
137.05984	30.4
138.06325	0.6
144.04424	1.7
145.02873	1.9
146.03217	0.8
149.06062	0.6
150.05502	1.6
151.06277	0.5
152.07033	1.0
160.03951	9.2
161.05969	0.7
162.05487	10.7
163.03868	1.1
163.06093	0.4
163.07509	1.9
164.07973	0.5
165.07835	0.7
166.04893	0.4
166.08653	0.5
167.06990	0.4
176.07016	1.5
177.05469	4.9
178.04901	7.6
180.06602	2.4
181.07332	0.8
182.04372	0.5
188.03409	0.5
192.06561	9.6
194.08136	31.6
196.06036	1.1
206.04420	1.5
212.09186	5.3
220.06108	1.0
220.83992	0.4
224.05403	0.5
238.05180	0.4
238.07146	4.2
256.08258	0.6
306.09839	0.6
308.07663	2.0
322.09235	4.3
324.10803	7.0
326.08704	0.7
336.07187	0.5
342.11731	1.5
350.08575	0.6
354.08179	1.0
355.38202	0.5
368.09793	18.2
386.10715	1.6
392.13434	1.1
490.16992	0.7
504.14990	1.1
522.15973	100.0
523.16260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.99077	0.6
57.03441	3.0
58.89312	0.5
61.01158	2.9
61.39495	0.6
62.99072	1.3
65.00644	6.5
68.65526	0.6
69.03427	0.7
71.16402	1.2
75.02710	0.9
79.25226	0.6
85.01131	0.6
85.02913	4.9
87.02671	0.9
88.66057	0.6
91.05492	6.3
93.07046	9.0
95.04957	1.8
103.05466	5.6
105.04524	0.9
117.05793	0.9
118.06557	1.1
121.03212	2.8
121.06517	40.7
131.01663	0.7
143.75700	0.7
144.04449	2.4
146.06017	5.8
149.02692	56.5
158.09702	0.9
162.05554	1.7
165.09125	0.9
172.03987	0.8
176.07082	4.8
178.08646	16.9
183.10172	1.9
184.07574	1.6
186.09203	2.4
190.05110	0.7
190.08746	0.7
200.86620	0.6
202.08684	1.4
204.06613	2.0
207.31920	0.6
216.10254	3.6
218.11797	11.7
220.05798	0.7
222.07648	1.9
228.06599	1.6
230.08205	1.7
235.08417	1.0
236.09114	1.0
246.07600	3.1
248.09218	1.3
256.06119	0.9
260.09192	9.7
262.10767	31.8
274.07050	2.8
277.04306	0.6
288.08704	9.9
294.13440	1.4
306.09738	51.5
320.11407	2.1
338.12442	0.7
352.08484	1.0
360.10611	0.8
370.09665	0.8
374.15860	1.5
414.19446	1.2
426.15488	1.9
427.39090	0.6
458.18137	100.0
459.18533	1.2
504.17145	1.1
522.17737	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	522.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
61.02952	0.6
61.89846	0.6
65.44627	0.6
69.03432	1.2
70.06602	1.1
72.08157	1.4
73.02933	1.1
84.04540	0.7
85.02906	11.5
87.04476	21.1
91.05487	5.9
91.06007	0.6
97.02933	1.9
98.21506	1.6
98.97573	0.6
102.05605	0.6
103.05476	9.3
104.05847	2.4
105.07074	1.7
113.53703	0.6
118.08712	1.0
119.04991	2.0
120.08209	0.6
127.04019	0.8
130.05037	4.2
131.04933	18.7
132.05281	5.3
133.06508	1.4
134.06071	1.3
137.05988	7.9
145.02904	0.6
145.04996	0.9
150.42134	0.6
155.71457	0.6
160.04008	1.4
161.05992	3.6
162.05580	2.1
163.07555	7.5
164.07956	1.9
167.07158	1.3
170.06027	0.6
177.05588	1.2
178.05031	1.3
186.09276	0.8
192.06683	2.3
193.08717	1.9
194.08142	7.1
195.08496	0.6
196.07617	1.0
210.05606	1.0
210.09233	1.2
211.09541	0.6
212.07153	1.0
212.09361	0.8
214.05174	1.0
214.08806	2.2
216.10304	0.9
220.07819	0.9
224.07234	1.3
226.08766	0.9
228.06648	0.8
232.09799	1.1
236.07159	0.9
237.08035	0.7
238.05122	2.8
238.08929	1.2
240.06680	0.9
240.10144	0.8
242.08455	0.9
248.07289	1.2
254.08279	2.4
256.06073	6.1
256.09921	1.2
264.06778	2.2
266.04883	0.7
266.08322	2.2
270.07770	0.8
280.09799	1.3
284.09344	2.3
294.07834	1.3
296.09351	1.8
298.07303	1.9
298.10730	1.6
312.08908	1.2
313.09671	0.8
316.07986	3.3
316.11765	0.7
322.09497	0.8
326.10486	2.4
340.11929	1.2
341.08960	0.7
342.09900	2.1
342.13596	0.9
344.11560	1.7
356.11493	1.6
358.09412	2.4
358.13211	0.9
360.14615	1.7
368.10138	2.9
370.13370	0.9
378.15701	1.2
382.13132	1.4
384.10486	3.1
386.12350	2.3
393.13776	2.9
398.12491	1.0
400.14105	1.5
402.11703	9.8
427.12784	1.5
430.15042	4.2
441.14471	2.7
442.15344	2.3
444.12418	5.5
459.15527	1.0
462.14044	2.1
462.19073	1.1
472.16064	10.7
472.22372	0.7
490.17114	18.4
490.23734	1.2
504.18704	13.8
522.20105	100.0
523.20496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2128
Annotation	Stephalonine E
Peak:m/z	Relative Intensity
51.02382	0.9
53.03952	2.8
55.01899	0.3
61.93549	0.2
65.03936	0.4
69.57535	1.1
71.11575	0.3
77.03943	1.1
77.72826	0.2
79.05497	19.5
84.58179	0.2
91.05485	8.2
93.07047	11.8
95.04984	3.5
97.02912	0.3
103.05473	65.1
105.04533	1.1
105.07030	3.1
107.04961	26.2
108.40434	0.2
112.14453	0.2
118.06540	1.3
121.06511	40.5
122.06834	0.3
130.12468	0.2
131.04932	25.3
139.20497	0.2
144.04422	2.1
146.06004	6.6
149.06015	2.0
159.19524	0.3
162.05536	2.9
164.07066	0.3
171.09735	0.3
172.03946	1.5
176.07079	6.2
178.08640	29.9
190.05054	1.1
204.06573	4.1
206.77896	0.3
210.11229	1.5
222.07622	7.3
236.09161	0.5
257.65958	0.3
279.97983	0.3
287.21494	0.2
292.09705	0.3
294.11249	0.4
310.10693	2.7
320.09149	0.5
324.12299	8.5
326.13876	21.5
327.14435	0.4
338.10269	2.3
342.13589	0.3
352.11801	7.4
352.15906	0.5
358.16312	1.5
370.12875	48.3
371.13217	0.6
374.15982	0.4
384.14444	2.1
402.15546	0.8
490.18457	3.7
499.07556	0.3
517.12683	0.3
522.21265	100.0
523.21832	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
56.96533	0.8
69.56141	1.6
69.56565	2.9
81.07040	0.8
81.97962	0.8
85.02901	0.8
91.05476	9.1
93.07050	14.9
95.04969	2.8
97.27557	0.8
98.97575	0.8
103.05474	9.7
105.04531	1.3
108.15383	0.6
119.08486	0.7
121.06510	100.0
131.04912	0.8
137.05937	1.2
177.05386	0.7
177.95093	0.7
180.06560	20.2
180.45787	0.7
208.06310	0.7
222.07629	14.8
230.00096	0.6
284.12900	1.2
300.12265	3.6
312.97641	0.6
328.11798	1.8
342.13379	74.2
343.13632	0.8
448.17438	7.9
522.21436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
51.66210	0.3
52.35600	0.3
53.03957	2.1
55.01877	0.3
71.04967	0.3
71.56956	0.4
77.03922	0.7
79.05482	0.6
91.04904	0.4
91.05486	8.6
93.07048	14.5
95.04977	2.2
98.97588	0.5
103.05470	9.6
104.46439	0.3
105.04548	0.8
106.52325	0.4
119.04951	0.8
121.06510	100.0
122.06866	0.5
136.41911	0.3
137.05003	0.5
137.05980	2.9
147.04439	0.5
152.07129	0.4
164.07086	2.2
166.05013	1.0
178.08669	0.7
179.07265	0.4
180.06560	21.6
185.53151	0.3
208.06078	0.5
222.07626	13.5
283.12158	0.3
284.12747	0.4
286.10880	0.4
300.12299	4.5
328.11865	1.5
342.13385	67.9
343.13693	0.9
402.15622	0.4
448.17511	9.0
480.20392	0.5
522.21399	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	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82435	1.4
53.03943	3.2
55.05522	7.2
57.03442	4.1
57.07072	2.5
57.50492	1.4
59.04992	1.6
67.05511	8.6
69.03427	10.4
69.07064	11.9
71.05000	19.6
71.57737	2.2
73.02913	6.3
73.06560	1.4
79.05499	22.5
81.03435	4.8
81.07063	86.5
83.08611	5.3
84.08147	13.2
85.02911	21.3
85.08497	3.1
87.00841	8.9
91.05482	12.4
93.07053	35.1
95.04965	3.5
95.08617	30.1
97.02885	8.6
97.06531	2.4
97.10162	2.9
99.08088	3.0
103.05472	3.6
105.01864	16.6
105.07041	45.0
107.08604	50.2
108.12965	1.4
109.02882	4.5
109.10168	39.1
111.08114	2.0
111.11761	2.1
113.09622	2.4
113.42889	1.3
115.03934	4.6
117.07011	3.2
119.08590	89.0
121.06506	11.6
121.10114	10.0
123.08002	2.0
123.11710	17.0
125.09615	3.3
126.09181	2.9
127.03951	11.3
127.09549	1.9
127.11197	26.2
128.10721	3.6
128.11807	1.4
131.08572	2.9
133.10139	49.2
135.11705	100.0
137.09592	2.0
137.13217	3.4
143.10657	11.4
145.04993	5.2
145.10156	2.8
146.11787	2.6
147.11700	20.5
149.13312	7.2
151.11162	1.8
153.12741	7.4
160.12468	1.7
161.13266	14.8
162.61118	1.4
163.14807	3.6
164.07094	3.3
172.29836	1.5
175.14832	18.8
193.15894	12.6
203.17975	75.9
215.39433	1.4
221.19029	66.0
227.18005	1.6
231.05013	3.2
239.20107	1.7
249.05992	5.3
273.66211	1.5
455.04065	1.4
522.21088	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	522.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
55.05515	14.5
61.02952	3.8
62.07683	3.2
67.05521	8.4
68.97832	3.9
69.03430	10.0
69.07080	10.9
71.05007	16.3
71.57536	6.4
73.02935	6.1
79.05492	22.0
81.03434	5.5
81.07069	91.4
82.86214	3.8
83.08630	6.3
84.08147	19.8
85.02921	25.1
85.13904	3.5
87.00829	9.5
91.05497	14.0
93.07045	44.2
95.04971	5.2
95.08619	37.6
97.02896	15.3
99.08083	6.9
105.01865	18.9
105.07039	51.9
107.08607	58.4
109.10172	37.3
111.08076	5.4
115.03972	4.0
119.08594	86.8
121.06518	16.1
121.10178	10.7
123.11690	26.4
125.09698	3.8
127.03934	15.4
127.11222	25.2
128.10765	4.8
128.11815	3.7
133.10141	54.0
135.11714	100.0
137.09735	4.0
143.10725	10.5
145.05011	4.2
146.11772	4.6
147.11697	27.6
149.13295	7.6
153.12773	8.1
161.13322	16.1
163.14861	3.7
164.07161	4.2
165.12834	5.2
175.14836	21.7
193.15889	20.1
203.17963	62.4
221.19025	69.1
231.05058	4.1
249.06177	6.1
318.53726	3.4
340.09482	3.8
382.38971	3.9
522.21027	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	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
55.41930	0.8
55.63074	0.9
57.03439	6.9
59.05031	1.1
67.05514	2.1
69.03437	18.1
69.07068	6.4
70.06602	1.9
71.05003	2.7
73.02921	2.1
79.05489	2.2
81.03406	1.5
81.07061	7.6
83.08633	3.5
85.02914	14.6
87.04477	12.4
91.05501	6.2
93.07047	6.3
95.04985	1.8
95.08600	7.0
97.02905	18.5
97.06541	8.6
98.20782	2.1
99.04452	1.6
103.05469	2.4
105.07047	3.9
107.08609	6.1
109.06507	7.4
109.10161	5.1
111.11771	1.3
113.09637	1.2
115.03944	19.7
115.07597	1.7
119.04971	1.9
119.08605	10.0
119.10876	0.9
121.06527	3.5
121.10164	4.5
123.08089	4.2
123.11722	10.7
127.03933	1.5
127.07632	1.1
131.04936	2.0
133.04979	18.5
133.10132	19.7
135.11703	12.3
137.05983	11.9
137.09662	2.5
137.13190	1.0
145.04985	2.9
147.04408	1.0
147.11725	1.7
149.13272	11.5
151.03903	2.2
151.11183	8.3
153.12762	1.6
166.05022	1.5
167.07063	1.5
175.14838	29.6
180.06567	3.7
182.72017	1.0
193.15892	42.0
208.06070	1.1
211.16949	100.0
222.07736	1.1
240.06561	1.8
252.08681	3.1
259.08157	1.7
266.10263	1.8
277.09088	1.3
295.10077	1.9
312.05621	1.2
312.10919	1.1
354.11871	2.4
357.86240	1.0
360.25677	1.0
522.16681	3.9
522.30322	2.0
523.29272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.4
55.05510	8.0
56.49698	2.4
57.03437	3.3
59.67678	2.0
59.91949	2.2
67.05495	8.9
69.03429	7.6
69.07063	11.9
71.05006	19.1
71.56895	2.7
73.02917	7.1
75.08780	1.9
79.05509	18.5
79.92482	2.0
81.03405	3.1
81.07063	94.4
83.08652	3.9
84.08155	21.3
84.68681	2.0
85.02908	22.3
85.08477	4.4
87.00850	4.2
91.05486	17.9
93.07053	37.0
95.04950	2.3
95.08618	30.0
97.02908	12.6
97.10161	4.1
99.04434	3.5
99.08105	4.4
103.05473	4.0
105.01870	16.0
105.07043	38.4
107.08607	55.2
109.02950	3.0
109.06619	2.0
109.10165	45.6
111.08100	2.4
112.72919	2.5
113.09677	3.4
115.03958	2.9
117.07123	2.7
119.08587	89.6
121.06512	13.0
121.10152	12.7
123.11716	19.4
125.09604	2.9
126.09178	4.5
127.03941	11.5
127.09600	2.2
127.11201	24.8
128.10732	6.1
131.08653	2.9
133.10135	58.5
133.11089	4.6
133.52878	2.7
135.11703	100.0
137.05991	2.7
137.13277	3.7
139.11215	2.8
143.10667	11.9
145.04977	6.4
145.10141	4.4
146.11774	3.2
147.11655	20.6
149.13292	8.1
153.12753	8.3
159.11774	2.2
161.13260	17.7
163.14888	4.8
175.14825	19.6
193.15886	16.9
203.17963	64.9
218.66116	2.4
221.19025	66.6
231.04950	4.0
239.19991	3.4
249.06096	5.0
518.43262	2.9
522.21307	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	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.2
57.03442	6.1
57.07062	0.9
59.05001	1.9
61.02913	1.6
67.05491	2.5
68.05020	2.6
69.03436	9.7
69.07064	4.8
70.06601	1.3
70.66170	2.3
70.66526	1.2
71.01359	1.0
71.04987	3.5
73.02923	9.8
79.05500	3.2
81.03410	3.5
81.07076	6.7
83.08615	4.4
85.02916	9.1
91.05493	4.7
93.07043	14.7
95.04979	7.5
95.08622	7.5
97.02913	14.0
97.06543	5.1
103.05487	2.7
105.07034	5.8
107.08601	8.5
109.02871	1.6
109.06525	3.8
109.10187	4.9
114.05531	1.8
115.03938	9.8
119.08586	6.1
121.06519	28.9
121.10147	3.3
122.06904	1.0
123.08084	3.1
123.11729	17.8
127.03929	3.6
133.05025	2.1
133.10139	16.4
135.08052	1.8
135.11713	14.1
136.08421	1.2
137.05962	2.4
137.09653	1.8
145.04973	2.8
147.04288	1.1
147.11681	1.3
149.13290	7.9
151.11192	32.4
153.12766	3.5
159.07982	1.2
161.09605	1.3
165.05392	1.1
167.14334	7.3
175.14841	20.0
178.08633	1.1
183.41998	1.0
191.14319	2.6
193.15898	30.2
211.16948	100.0
215.26973	1.1
259.08136	2.5
295.10287	1.2
342.13409	3.2
458.18085	4.3
490.20523	1.4
522.16907	2.3
522.23560	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	522.356
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05509	2.1
56.05033	1.3
57.07065	0.7
58.06609	1.4
59.07403	0.5
60.08165	15.7
62.91758	0.3
67.05504	1.5
69.07066	3.0
69.97003	1.2
71.07378	6.8
71.08648	0.4
79.05508	0.8
81.07058	1.9
83.08620	1.5
86.09708	51.1
93.07043	0.8
95.08574	1.7
97.10190	1.1
98.98460	3.8
104.10747	98.8
107.08609	0.6
109.10179	0.6
121.10184	0.5
125.00009	30.4
135.11636	0.4
163.01559	0.4
184.07344	100.0
258.11108	1.3
332.68472	0.3
339.28778	1.5
349.32996	0.3
426.82935	0.4
436.00552	0.3
504.27109	0.5
504.34534	9.6
504.41107	0.3
522.35559	38.7
523.35980	0.4
534.82446	0.4
539.50336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
56.05039	0.6
57.03436	0.2
58.06623	0.3
60.07872	0.3
60.08169	5.4
60.08474	0.3
67.05508	0.2
68.54527	0.1
69.07059	0.3
70.17780	0.4
70.18169	0.3
71.06985	0.2
71.07377	2.9
73.15827	0.1
81.07076	0.2
83.08604	0.2
86.09710	28.5
92.87328	0.1
93.07056	0.2
95.08634	0.2
96.16098	0.2
98.98475	2.4
104.10754	2.7
125.00010	18.9
136.68201	0.1
150.27858	0.2
178.04056	0.1
184.07350	100.0
237.46799	0.2
258.11145	0.2
367.91724	0.1
501.53250	0.2
504.34760	1.1
522.35602	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	522.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.9
55.05499	11.4
57.07075	5.4
58.02114	3.8
67.05505	16.4
69.07050	12.6
69.49635	7.5
69.50037	19.9
72.84356	3.4
79.05504	17.6
81.07073	30.4
83.04971	3.9
83.08620	11.6
91.05469	26.1
93.07060	45.3
95.04980	7.5
95.08607	49.6
99.08105	33.2
103.05451	7.1
105.04430	3.7
105.07036	72.7
107.08609	68.4
107.10619	4.3
109.06554	6.4
109.10157	39.3
110.27287	3.5
111.08110	4.8
111.42635	3.5
117.07024	9.1
119.08592	98.1
121.06516	63.8
121.10155	63.0
123.11695	14.8
129.07019	5.5
131.08568	52.1
133.06496	7.6
133.10126	52.7
135.08034	8.4
135.11713	40.7
137.09607	7.9
137.13228	5.2
143.08548	11.5
145.10150	57.4
147.11702	62.6
149.09575	6.5
149.13287	17.7
151.11215	8.2
152.69704	3.5
155.08469	5.3
157.10124	17.2
159.11685	44.3
161.13283	31.2
163.11215	12.7
163.14825	17.0
164.07053	5.0
169.10146	4.6
171.11719	16.7
173.13290	36.5
175.14857	23.4
177.12697	5.8
177.16287	21.2
179.14233	9.5
180.06523	8.8
183.11610	7.4
185.13252	36.7
187.14844	90.0
189.16432	23.7
191.14314	5.3
191.17909	9.8
195.13692	4.5
197.13367	5.8
199.14870	26.1
201.16393	100.0
203.14336	15.0
203.17937	9.3
205.15884	67.2
207.17450	12.0
211.14764	14.9
213.16420	13.8
215.14178	5.0
215.17874	6.0
217.15947	9.9
219.17441	38.7
221.15358	7.6
223.14893	7.5
223.16951	72.1
225.16428	4.9
227.17882	8.1
229.15967	4.7
231.17506	7.2
237.18483	10.0
241.19499	5.5
243.17603	3.7
245.19086	7.6
251.16473	8.4
253.19576	6.2
259.20532	5.2
273.22037	5.5
311.23520	4.1
320.04468	3.8
342.13312	33.3
351.26883	5.5
361.23642	19.2
389.32089	8.4
405.31516	35.9
407.33121	42.2
423.32559	46.4
425.34189	47.4
441.27856	6.0
441.33627	83.0
443.34985	9.5
448.18018	5.1
451.31888	12.0
459.34723	49.6
469.32999	11.7
487.34293	12.8
522.20917	14.3
523.28992	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	522.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
67.05519	4.0
69.07058	5.2
69.38861	15.8
70.06562	1.9
79.05478	2.5
79.84830	2.0
81.07046	5.1
83.08595	2.7
91.05475	2.4
93.07030	6.9
95.08596	13.4
105.07017	7.6
107.08594	12.4
109.10175	8.8
109.44617	1.7
111.08079	5.8
119.08598	12.1
121.06507	2.1
121.10146	19.3
123.11684	3.4
125.09678	2.9
133.10143	7.0
135.08125	2.0
135.11720	9.9
139.07526	3.6
145.10138	7.3
147.11678	5.4
149.13284	2.8
157.10098	2.7
159.11691	7.9
161.13232	3.9
163.14813	2.7
167.10687	2.4
171.11627	2.9
173.13281	4.6
180.06564	2.2
183.11667	2.2
187.06279	1.5
187.14832	6.3
189.16411	3.5
191.17996	2.8
195.13829	2.7
199.14828	2.2
199.82310	1.8
201.16373	8.4
203.17953	8.7
205.52727	1.7
213.14700	2.3
213.16481	3.9
217.15952	3.0
221.15250	1.6
224.73735	1.7
225.23079	1.9
227.17987	4.3
233.15346	8.2
251.16393	7.3
257.22687	2.6
269.22702	8.3
327.23361	2.6
388.06906	1.8
405.31229	2.4
423.27426	2.5
423.32565	22.5
441.33661	100.0
459.34720	21.1
477.35730	23.2
481.32541	2.2
522.22137	4.2
522.29736	2.1
522.41174	9.8
523.31927	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20715	1.0
69.07096	1.7
71.58047	1.4
72.08133	1.5
75.57314	1.1
81.07052	2.0
85.02942	1.0
91.05474	3.2
92.93974	0.9
93.07048	3.8
95.08612	1.9
97.02864	1.1
103.05462	2.1
107.08658	1.1
109.10188	1.4
110.09672	1.2
119.04935	0.9
120.08112	1.4
121.06510	15.9
131.04936	1.1
137.05946	5.1
138.09161	1.7
147.11714	1.2
152.07074	2.0
165.05489	1.9
166.04948	1.6
180.06592	14.0
205.47168	0.9
237.02777	1.0
238.07141	8.6
251.41820	1.1
252.08690	87.8
264.12207	1.6
279.11325	1.2
280.08160	4.7
285.12448	1.2
292.11697	1.3
294.09738	100.0
297.12369	1.6
338.11716	1.4
400.13885	18.5
450.20419	1.4
474.17337	2.4
491.19864	3.0
523.29443	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20715	1.0
69.07096	1.7
71.58047	1.4
72.08133	1.5
75.57314	1.1
81.07052	2.0
85.02942	1.0
91.05474	3.2
92.93974	0.9
93.07048	3.8
95.08612	1.9
97.02864	1.1
103.05462	2.1
107.08658	1.1
109.10188	1.4
110.09672	1.2
119.04935	0.9
120.08112	1.4
121.06510	15.9
131.04936	1.1
137.05946	5.1
138.09161	1.7
147.11714	1.2
152.07074	2.0
165.05489	1.9
166.04948	1.6
180.06592	14.0
205.47168	0.9
237.02777	1.0
238.07141	8.6
251.41820	1.1
252.08690	87.8
264.12207	1.6
279.11325	1.2
280.08160	4.7
285.12448	1.2
292.11697	1.3
294.09738	100.0
297.12369	1.6
338.11716	1.4
400.13885	18.5
450.20419	1.4
474.17337	2.4
491.19864	3.0
523.29443	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93524	0.4
64.58321	0.5
72.08128	0.4
81.07059	0.5
86.35638	0.4
91.05471	1.2
93.07047	1.0
98.20728	1.0
103.05460	1.2
108.08138	0.4
108.85735	0.4
121.05663	0.5
121.06519	9.6
137.05992	0.9
146.05974	0.5
148.03937	0.8
152.07080	1.1
164.07043	0.4
166.05078	0.7
180.06580	15.1
194.08154	1.5
206.08211	0.7
208.09691	1.8
210.07654	7.3
219.46181	0.4
220.09781	0.6
222.07523	0.4
222.11285	0.8
224.09196	78.5
225.09444	0.4
229.47827	0.5
235.13353	0.4
238.10710	2.2
252.08687	3.1
266.10257	100.0
267.10544	1.1
268.15482	0.4
284.11356	0.5
298.12918	7.4
326.12335	0.5
330.13382	1.0
340.97446	0.4
372.14456	13.2
404.17099	1.1
414.15591	0.7
446.18164	14.3
451.13730	0.8
523.28754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97481	0.3
52.12152	0.3
53.03955	2.6
53.68769	0.4
58.96698	0.3
65.03961	0.6
69.42963	2.0
77.03932	0.4
80.02348	0.4
84.59301	0.3
84.87454	0.4
91.05486	12.5
91.47686	0.3
93.07049	7.8
95.04974	20.8
101.45705	0.3
103.05482	6.9
105.04533	1.1
107.64355	0.3
109.06549	0.7
118.06527	2.2
119.04951	32.0
121.06513	39.8
123.04437	46.4
129.23412	0.3
137.05963	0.7
144.04457	2.8
146.06010	10.5
147.04416	18.6
162.05534	2.9
164.07138	1.0
165.05489	11.9
172.03925	1.0
172.10764	0.3
176.07071	5.7
178.08644	33.7
188.21411	0.4
190.04982	1.9
196.09711	4.8
204.06580	6.3
208.06075	0.5
222.07623	29.5
240.08720	1.6
320.10669	0.3
342.13394	1.1
360.14420	10.9
360.18863	0.5
368.11380	1.2
386.12357	21.0
404.13489	0.6
501.28403	0.3
506.18143	2.3
511.02246	0.4
524.19189	100.0
525.19489	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81009	0.3
53.03940	1.0
56.19001	0.3
62.09812	0.3
63.05451	0.3
65.03948	0.6
67.05502	0.4
71.58694	0.4
72.08152	2.0
77.03918	0.7
79.05496	15.7
81.03453	0.3
81.07061	0.6
84.29728	0.3
88.90009	0.3
91.05491	6.1
93.07057	1.3
95.04946	0.7
95.08597	0.4
97.02824	0.4
103.05474	54.3
105.04536	0.3
105.07021	2.3
107.04958	25.3
119.04951	2.7
120.04480	0.7
121.02866	0.5
121.06499	2.6
130.06528	0.4
131.04933	25.7
137.05984	11.7
148.03938	1.1
149.05992	2.3
151.06277	1.0
152.07053	2.8
162.51450	0.4
166.05002	4.3
173.36841	0.4
174.05554	0.6
180.06566	38.5
181.06915	0.4
218.08054	0.6
302.09732	0.5
314.06772	0.6
314.10251	7.9
328.11801	100.0
329.12045	0.5
356.11142	3.0
450.15466	12.8
482.18185	0.4
524.22302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
56.29797	0.6
65.03934	0.8
67.05495	0.5
69.55774	2.3
75.13530	0.4
76.91160	0.5
77.03942	0.5
80.73582	0.4
91.05493	11.5
93.07045	1.1
95.04984	16.1
103.05467	1.8
105.04480	0.7
105.05776	0.6
105.07689	0.4
107.04951	0.6
109.06549	1.2
111.00587	0.4
112.27520	0.5
119.04956	36.1
121.06519	3.0
122.06049	0.7
123.04446	53.9
137.05988	9.8
146.05922	0.5
147.04427	24.4
150.05539	7.7
164.07086	90.9
165.05498	21.6
165.07710	1.3
286.10867	3.3
314.10275	2.0
328.11832	100.0
329.12234	0.8
388.13922	0.6
406.36819	0.5
450.15536	17.8
482.17813	0.6
524.19354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.51412	0.7
65.03933	2.6
65.90040	0.6
67.73133	0.7
69.00191	0.7
69.03423	0.8
69.25961	1.4
69.26354	6.7
69.44312	0.6
77.03954	0.6
79.05055	1.0
79.05495	11.5
81.03416	1.4
81.07047	2.0
91.05484	44.5
93.03408	1.0
93.07026	1.6
95.04984	2.0
97.02884	2.8
103.05473	33.6
105.03398	2.3
105.07025	1.4
107.04287	1.1
107.04962	14.7
109.06537	2.7
109.10190	0.8
115.05457	1.2
117.06984	1.7
118.06558	1.0
119.04104	1.1
119.04949	18.0
120.04477	4.2
120.08128	2.6
121.02867	6.1
121.06500	2.8
123.04425	0.7
130.06519	7.8
131.04935	18.7
135.04390	0.9
137.05984	100.0
144.08096	2.6
145.06447	1.3
146.06068	2.0
148.03922	7.4
149.05992	2.0
151.03909	2.4
152.07086	1.6
155.06020	0.7
158.11183	0.7
166.05058	3.5
167.08762	1.0
172.07571	4.3
174.05519	12.8
176.07076	6.5
180.06563	25.5
180.32602	0.7
190.08736	1.1
194.09679	1.4
218.08173	5.4
222.09232	2.3
240.10324	0.9
250.08644	2.4
250.10915	1.4
262.07245	1.8
268.09769	2.4
296.09259	5.1
314.07364	0.7
314.10226	45.7
328.11816	74.9
329.12012	0.9
338.10315	1.3
356.11307	48.4
368.89526	0.8
375.34149	0.7
388.13721	1.3
437.67648	0.8
450.15482	16.5
492.16663	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	524.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
67.05505	0.8
69.07070	0.7
71.59381	1.2
72.08162	8.5
79.05494	16.3
81.07053	1.3
81.63752	0.5
87.05742	0.5
88.25505	0.7
91.05492	5.4
93.07045	2.7
95.04978	1.0
95.08616	1.0
103.05476	53.5
105.07058	2.2
107.04961	24.2
119.04930	2.4
120.08134	0.8
121.06537	2.9
130.06535	0.6
131.04933	27.2
137.05988	12.4
148.03914	0.8
149.05984	2.7
152.07083	2.5
166.04979	3.5
180.06564	36.7
281.24673	0.7
314.10275	8.5
328.11813	100.0
329.12231	1.3
339.13297	0.8
355.74771	0.6
356.11322	2.4
450.15521	13.3
451.64346	0.7
482.18307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03951	1.7
54.82704	0.1
55.01865	0.3
58.89064	0.1
60.69049	0.1
61.51380	0.1
63.97243	0.1
65.03936	0.2
70.47901	0.6
76.02210	0.1
77.03910	0.6
81.03385	0.3
84.08150	0.2
87.04456	0.2
91.05486	6.4
93.07047	9.0
95.04989	1.8
98.20854	0.2
103.05473	6.7
104.37981	0.1
105.04494	0.9
117.05714	0.2
118.06526	0.3
119.04958	0.2
121.06511	100.0
122.06822	0.4
123.04453	0.3
126.09889	0.2
144.04466	0.4
146.05992	1.0
162.05499	0.2
163.84369	0.1
176.07088	0.5
178.08627	2.6
180.06509	0.2
190.04987	0.2
204.06598	0.4
222.07626	5.5
223.12968	0.2
342.13342	1.2
350.84927	0.2
389.47073	0.1
404.15771	0.2
524.21246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05508	2.3
58.99584	3.5
59.04984	1.6
60.04524	7.0
65.35165	1.4
67.05484	3.1
69.03420	5.7
69.07056	2.1
70.02941	1.9
70.06612	1.5
71.04998	14.6
71.52839	1.7
72.04533	1.8
74.00659	5.4
76.02235	6.3
79.05490	4.6
80.05025	1.6
80.18498	1.2
80.34521	1.2
81.07067	16.9
82.06551	1.4
83.04969	1.4
83.06117	6.2
84.04508	16.9
85.02910	6.0
85.06544	2.2
86.00671	3.5
88.02229	6.5
88.04005	3.0
91.05480	3.5
92.01714	1.9
93.07037	5.6
94.06570	2.4
95.04975	2.5
95.07326	1.2
95.08596	2.3
96.04470	1.4
96.08150	1.4
97.01106	2.5
97.02883	3.1
97.06528	4.1
99.02676	2.8
99.04460	1.6
99.08087	7.2
100.02242	1.6
102.03751	1.8
105.07053	6.4
106.05048	9.0
107.06116	1.6
107.07346	1.6
107.08618	9.0
109.02875	1.8
109.06511	5.1
109.07610	1.2
109.10170	9.8
111.02664	4.2
112.02181	1.3
113.04227	5.0
114.03760	3.1
114.05504	2.2
115.02162	4.3
116.03440	3.7
118.00240	1.3
121.06482	1.5
121.10150	2.6
123.02664	2.0
123.11728	10.9
125.04256	2.2
125.09630	4.8
126.03753	1.4
127.03951	1.5
127.11209	2.5
128.05312	36.6
129.06610	14.3
130.05003	6.2
133.10144	6.4
135.11711	1.9
139.05769	1.6
139.11188	2.8
140.05305	48.2
141.03731	7.3
142.05026	4.4
143.01959	1.5
145.04962	1.6
146.02699	2.3
146.04494	2.2
147.04424	6.6
149.04205	1.4
151.11195	30.5
153.06627	3.5
153.12685	1.6
157.06029	2.5
160.06073	1.7
163.03917	3.0
167.05228	1.5
169.12263	7.7
174.05841	3.1
175.07150	3.4
181.06091	4.0
182.09959	7.0
183.08330	4.7
185.03804	6.6
186.05850	4.0
192.03241	1.9
199.05508	2.0
199.07190	2.5
201.09428	10.1
207.04341	4.1
208.11574	5.6
209.09991	5.3
226.12628	45.3
227.08977	1.6
227.11026	9.2
231.04395	10.5
244.13696	10.5
249.05304	1.4
254.12128	1.6
255.07927	2.4
261.09103	5.8
262.14789	4.0
268.09341	7.4
272.13126	5.8
273.09052	13.8
286.10449	1.5
309.35361	1.2
341.15347	25.7
342.13754	5.5
359.16376	100.0
360.14777	4.0
371.15393	1.7
377.17438	22.4
378.15726	2.6
383.16489	2.5
395.18512	42.6
401.12112	1.7
401.17410	30.2
419.18555	32.7
488.20541	2.8
506.21826	11.5
524.22729	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	524.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46984	0.4
50.89655	0.4
53.03922	1.8
56.21363	0.4
56.37683	0.5
56.43644	0.4
56.79434	0.5
68.52809	0.4
70.07811	1.9
88.66078	0.4
90.50481	0.4
91.04977	0.4
91.05489	7.6
91.49201	0.4
93.07051	7.8
95.04996	2.4
103.04884	0.5
103.05481	6.3
105.04487	1.0
111.04417	1.2
113.25841	0.5
117.05757	0.9
118.06539	3.2
118.97176	0.5
119.04925	1.1
121.06519	34.4
123.04428	1.0
133.10146	0.5
134.09647	0.7
135.04376	2.0
136.07584	0.7
137.06049	0.5
139.03922	2.4
144.04443	1.7
146.06035	15.6
147.04401	0.7
150.05576	0.6
160.07515	0.7
162.05489	1.8
162.09128	0.8
163.03897	0.8
164.07080	9.9
165.05472	0.9
172.03911	1.1
176.07060	1.2
178.08647	23.6
188.07083	4.0
190.05061	0.8
190.08636	3.8
194.08203	0.5
204.06679	0.7
206.08136	7.4
208.09694	8.8
209.10466	1.9
216.06613	2.4
220.07500	0.4
220.09708	14.6
222.11273	55.8
223.11688	0.6
224.09132	0.5
224.12941	0.7
228.98807	0.6
234.07666	3.0
236.09082	0.6
243.00783	0.4
248.09206	9.4
252.08781	0.8
266.10263	58.4
274.53275	0.4
328.11798	1.5
344.11255	4.5
360.18225	1.2
386.15875	3.8
404.17084	0.7
450.15686	0.9
524.22864	100.0
525.23187	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
56.10229	0.3
60.01291	0.3
67.05492	1.1
67.23052	0.4
69.03429	0.4
71.01719	0.6
71.02046	0.5
77.03912	0.5
79.05506	0.7
81.03419	0.6
81.07063	1.3
85.02966	0.4
86.43452	0.4
91.05487	8.2
92.05020	0.5
93.07044	10.0
94.07411	0.5
95.04980	2.5
95.08606	2.4
103.05476	8.7
105.04495	1.0
105.07055	0.4
113.02389	0.8
118.06550	1.2
120.04510	2.3
121.06512	47.4
123.08076	0.7
130.06573	0.6
135.03082	0.4
136.07559	0.7
144.04433	0.5
146.05983	3.1
152.07100	4.0
158.06027	1.4
164.07057	1.1
166.05022	0.5
175.06331	0.5
176.07137	1.3
178.05023	6.1
178.08641	7.2
179.09386	0.6
181.74901	0.4
186.05525	1.2
188.07130	2.2
189.04251	0.8
190.05019	1.5
190.08691	1.2
196.06108	1.0
202.08611	0.9
203.05768	4.0
204.02992	1.1
204.06511	3.3
205.07280	0.4
206.08231	0.5
212.07098	0.5
214.05000	3.5
216.02971	0.5
216.06697	0.5
217.07376	0.8
218.04509	10.2
218.08031	3.0
220.09715	2.3
228.06473	0.9
230.04445	0.8
230.08191	1.1
232.06062	7.3
242.08388	0.5
244.06227	2.1
246.07640	38.1
248.05504	0.6
248.09315	1.5
254.08224	0.5
256.09744	1.0
258.03906	0.4
258.07678	2.5
264.08682	17.7
272.05695	1.2
272.09167	1.9
280.09753	0.5
304.04065	0.4
308.07715	2.0
310.14465	1.2
312.12546	0.5
316.11920	0.5
324.15958	1.0
325.17068	0.5
328.15457	2.9
338.10214	0.5
342.17010	13.0
344.15216	0.4
360.18106	6.0
372.14337	2.1
386.15994	4.6
404.17044	8.1
428.13461	2.5
524.22827	100.0
525.23193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01857	1.6
55.05523	2.0
56.96578	1.1
57.03432	1.7
57.75753	0.8
65.03938	1.0
67.05506	1.9
69.03431	6.8
69.64323	4.7
71.04663	0.9
71.05006	13.9
74.34680	0.8
79.05511	7.6
81.03425	10.2
81.07069	6.1
83.04972	1.3
85.02917	5.5
91.05485	14.1
93.07054	13.7
95.04967	3.5
95.08595	2.9
97.02904	7.9
99.04462	43.3
103.05452	3.7
105.07041	71.2
107.04958	2.8
107.08594	8.7
109.02888	9.5
109.06518	2.9
109.10172	0.8
111.04382	0.9
111.08076	2.9
111.11723	1.0
113.60002	0.8
115.05430	1.5
117.07049	2.2
119.04949	3.4
119.08596	11.7
121.06513	28.3
121.10159	3.1
122.06899	1.3
123.04415	2.2
123.08114	4.7
123.11681	1.3
127.03927	11.4
128.06215	3.2
129.07001	1.3
131.04938	2.2
131.08580	3.9
133.06503	10.0
133.10143	60.7
137.05962	2.9
137.09605	1.4
143.08565	7.8
145.04953	1.1
145.06500	2.7
145.10136	6.3
146.07291	3.9
147.04497	1.9
147.08058	3.8
147.11737	1.1
149.05994	1.2
149.09644	1.3
151.07559	5.1
151.11201	2.3
157.10106	1.4
159.08087	2.4
161.09630	100.0
163.03851	1.7
163.07585	0.9
163.11194	18.6
164.07085	2.9
165.05568	1.2
165.09113	2.3
167.42125	0.9
171.08012	3.7
173.09557	0.9
174.06784	1.2
175.11163	1.8
178.08560	1.2
179.10687	38.5
184.07324	1.6
185.09560	1.2
189.09122	23.0
195.17476	2.1
199.07671	1.0
201.09096	1.2
203.10664	2.5
207.10182	36.8
217.08511	1.4
221.11708	0.9
225.11234	22.4
229.08620	1.2
231.10161	1.6
249.11273	2.2
255.60867	0.9
267.12363	1.9
269.11810	1.1
287.12875	2.0
303.12387	1.0
305.13757	1.6
315.12283	3.5
323.14944	4.2
328.11771	3.1
333.13391	7.8
341.16129	1.6
344.11234	1.4
351.14407	28.5
369.15491	15.3
382.19867	0.9
450.15189	1.1
480.33334	1.6
524.21497	1.7
524.28870	4.8
524.35944	3.5
525.20874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03941	1.3
55.01862	0.9
55.05511	0.5
57.03442	0.5
61.02898	0.4
67.05493	0.8
69.03432	1.9
69.47700	1.2
69.48128	1.3
71.04993	0.7
72.08160	2.5
73.02913	0.5
77.03938	0.4
79.05492	1.4
81.03403	1.0
81.07060	3.1
83.01283	0.4
83.04988	0.3
85.02906	4.7
86.18867	0.3
91.05473	5.7
93.07050	7.5
95.04965	1.7
95.08608	1.2
96.43080	0.3
97.02890	2.0
97.06538	0.4
99.04453	1.3
103.05464	3.8
105.04545	0.4
105.07034	18.9
107.04968	1.5
107.08600	1.3
109.02885	0.4
109.06522	0.8
109.10138	0.4
111.08083	1.0
117.07007	0.9
119.04932	0.6
119.08584	1.1
121.06508	100.0
122.06842	0.7
123.04458	0.4
127.03922	0.4
128.06241	0.8
131.08551	0.6
133.06496	2.0
133.10138	13.6
137.06004	1.0
143.08588	1.9
145.04979	0.3
145.06503	0.7
145.10114	1.1
146.07254	0.6
147.04443	0.6
147.08072	0.7
149.09685	0.4
151.07541	0.6
158.07309	0.5
161.09628	17.9
163.11220	0.7
163.60553	0.3
164.07091	0.7
165.98631	0.3
171.08005	0.4
173.09607	2.8
176.07054	0.8
179.10670	1.7
185.09676	0.4
189.09122	7.3
191.10713	0.7
201.09195	0.6
207.10167	1.2
219.10162	5.1
225.11197	4.4
225.13025	0.4
243.13794	0.5
256.85172	0.3
282.11203	1.9
299.16452	2.5
327.15915	16.9
345.16946	3.4
416.37451	0.3
495.51431	0.3
524.29230	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.4
57.03447	8.2
61.46219	3.8
67.05510	46.7
69.07069	18.2
71.56799	4.7
79.05494	17.6
81.07066	42.2
83.08624	7.4
86.09687	7.5
91.05501	13.2
93.07055	18.0
95.08618	28.4
96.08923	5.2
98.98466	8.9
105.07042	10.2
107.08616	11.6
109.10175	11.4
119.08636	4.2
120.67389	4.8
121.10121	10.1
135.11725	4.6
183.50618	3.7
184.07314	7.2
184.63161	3.7
185.07707	5.0
235.07335	4.8
279.64859	5.4
335.25815	100.0
337.27615	18.4
338.27710	12.0
339.28085	39.0
360.45853	4.3
392.89020	4.0
471.38943	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	524.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.6
55.05508	9.1
56.18249	2.0
67.05518	18.2
69.07053	7.4
69.60089	13.5
71.04979	2.0
79.05517	13.0
81.07059	16.8
83.08627	6.8
85.02929	3.1
86.09747	2.9
91.05482	23.0
93.07037	16.4
95.04976	3.5
95.08620	14.8
97.06539	3.5
97.10170	2.3
105.07038	16.9
107.04961	4.4
107.08600	7.3
109.06493	4.0
109.10154	8.2
115.05483	2.8
117.06997	12.7
119.04963	3.8
119.08613	9.1
121.06496	5.3
121.10130	8.4
123.11742	3.4
128.06282	2.9
129.07022	18.2
131.08562	17.4
133.06519	3.4
133.10132	7.2
135.11667	4.4
140.32980	2.0
141.07001	6.5
143.08534	12.3
145.06425	2.7
145.10141	10.3
147.04404	4.7
147.08028	3.9
147.11685	3.4
155.08556	10.8
157.10153	9.6
159.08052	5.1
159.11758	4.8
167.08586	3.1
169.10135	6.8
171.11659	5.4
173.09669	2.9
173.13277	3.2
181.10147	6.2
183.11777	5.5
184.07350	5.6
185.13304	5.8
195.11734	7.8
197.13217	3.7
199.14775	3.5
204.06447	3.4
209.13263	4.3
211.14729	2.7
221.13281	5.6
239.14323	3.6
253.15645	2.7
313.07654	2.4
323.23709	4.6
330.41678	2.3
333.22153	8.6
341.24878	5.3
344.18622	4.9
351.23169	28.8
369.24307	18.3
387.25473	11.7
423.27554	2.5
425.26825	8.2
443.27985	92.6
461.29053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3717
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
56.05033	1.6
57.07068	2.4
58.06602	1.2
60.07878	1.2
60.08167	15.0
65.03873	0.7
67.05489	1.2
68.28138	0.7
69.07082	0.7
71.07391	5.0
71.08624	2.1
71.59303	0.8
81.07047	1.2
83.08636	0.8
85.10168	0.9
86.09712	45.6
95.08594	1.8
98.98466	2.8
104.10751	100.0
109.10149	1.0
124.99090	1.4
125.00012	25.9
142.07025	0.6
165.05821	0.8
184.07356	95.2
258.11026	0.7
341.30475	1.4
407.80414	0.9
506.36124	9.0
524.37183	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	524.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05295	1.1
55.05518	11.0
57.03437	10.1
57.07071	3.0
59.04989	4.1
65.03938	2.4
65.20724	0.9
67.05508	100.0
69.03416	1.1
69.07071	6.9
71.05006	4.6
71.09732	2.6
79.05497	18.3
81.03424	1.9
81.07062	38.9
83.08624	8.3
84.58646	1.0
85.06548	2.9
87.04485	1.4
91.05475	11.5
93.07049	23.6
95.04973	2.6
95.08611	24.2
97.10175	1.8
99.08105	1.4
104.10719	1.3
104.99016	0.9
105.07072	8.3
107.08605	11.1
109.10160	70.1
111.08072	3.1
117.07012	3.7
119.08578	8.4
121.03342	1.0
121.10160	9.3
123.11710	3.4
131.08539	4.5
133.10143	2.9
135.11670	5.7
137.09622	3.2
145.10164	2.8
147.11673	2.4
149.13264	3.3
155.10695	6.1
159.11670	2.6
161.13245	1.3
163.14923	2.2
173.11760	19.1
173.13191	1.9
175.14847	1.4
187.14835	2.1
200.59990	1.0
229.14369	77.2
240.22134	1.0
243.21039	3.4
261.22192	12.9
314.27899	1.6
317.24701	3.0
335.25821	64.5
426.35138	1.1
489.35800	43.7
506.39206	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
64.36761	0.3
67.05495	0.4
69.03426	0.4
69.45204	2.5
77.03922	0.7
79.24914	0.4
81.03415	0.4
81.07079	0.4
84.54958	0.3
85.02909	1.2
87.07696	0.4
91.05483	4.9
93.07053	6.7
95.04972	3.8
98.21107	1.3
103.05471	5.9
105.04501	0.8
113.86228	0.3
116.18507	0.4
119.04955	1.0
121.06510	100.0
122.06860	0.4
123.04437	1.4
129.62753	0.3
147.04408	0.6
151.03906	4.9
158.03470	0.3
164.06996	0.4
164.84668	0.3
165.05484	5.9
178.08524	0.4
182.08266	0.5
193.05046	1.2
214.18750	0.3
225.07533	2.0
277.17825	0.8
278.46054	0.3
344.52988	0.4
347.25858	0.4
525.22998	1.5
525.30322	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	525.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01878	0.3
55.25796	0.3
59.56736	0.3
63.57552	0.3
69.03429	0.5
69.07053	0.5
71.04990	0.4
71.59534	0.5
76.35364	0.2
77.03928	0.7
78.90211	0.2
79.05501	0.6
81.03413	0.4
81.07067	1.0
84.67213	0.3
85.02912	0.6
86.41348	0.3
91.05481	4.7
93.07056	7.2
95.04972	2.9
95.08614	0.5
97.02912	0.3
97.65476	0.3
100.32738	0.3
103.05473	5.7
105.04512	0.6
105.63708	0.3
107.08623	0.4
109.10146	0.5
116.82317	0.3
121.06514	100.0
121.10155	0.8
122.06876	0.5
123.04475	0.5
123.11720	0.5
127.03938	0.3
135.08052	0.5
137.06004	1.0
149.09607	0.6
151.03894	1.8
155.07019	0.3
165.05501	4.8
181.04556	0.3
220.78755	0.3
238.07091	1.8
259.16684	0.4
266.10330	0.4
280.08160	1.3
291.26822	0.3
402.12036	0.3
418.46573	0.4
481.24051	0.6
525.22949	4.0
525.30322	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	525.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
56.39938	0.3
57.99829	0.3
68.05023	0.9
69.03424	0.7
70.06586	1.1
79.05482	0.6
84.04519	0.5
84.08155	0.7
85.02941	0.4
91.05488	1.1
92.29067	0.3
93.06998	0.7
95.89205	0.3
97.02922	0.8
107.04964	0.4
110.06038	0.5
111.17103	0.3
117.03396	0.5
119.04967	0.6
119.08625	0.4
121.06538	0.5
121.10150	0.8
127.03913	0.4
136.07556	0.5
137.05974	3.6
138.06412	0.3
145.02849	1.7
147.04382	0.8
149.06079	0.4
151.03964	0.4
160.92409	0.3
163.03954	0.8
167.07062	0.5
177.05475	3.7
179.03456	0.8
198.30196	0.4
222.07639	0.4
317.08197	0.4
525.23114	100.0
526.23199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2311
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
53.51300	0.3
54.68074	0.4
59.33141	0.4
69.49938	2.3
81.03423	0.4
81.07047	0.4
91.05533	0.4
93.07018	0.5
133.12228	0.3
136.07593	0.4
137.05995	1.1
152.07104	0.3
164.07117	0.7
177.05702	0.4
190.05034	1.1
197.94836	0.3
275.07458	0.4
306.81522	0.4
317.08325	0.5
325.11938	0.7
333.08023	1.5
335.09500	3.3
337.12985	0.4
348.20358	0.3
367.15561	0.4
393.18924	0.7
395.76999	0.4
424.49268	0.4
494.19623	0.4
499.85138	0.3
525.23114	100.0
526.23474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
67.05514	0.8
69.03449	1.2
69.70825	3.1
71.04991	1.8
79.05478	1.5
81.07035	0.7
83.04964	1.0
85.02917	2.1
91.05482	4.6
92.05856	0.7
93.07042	2.1
95.04960	3.0
95.08608	1.3
98.21012	1.8
103.05466	0.8
105.07034	0.8
107.08604	4.2
109.02923	0.5
114.47411	0.5
117.07016	1.4
119.04960	1.9
121.06509	16.3
121.10191	0.5
122.06828	0.7
123.04430	2.6
124.04731	0.6
131.08575	0.8
135.04465	0.9
135.08063	15.4
136.83040	0.5
137.05972	4.3
138.06326	1.4
147.04482	1.1
149.09612	1.0
151.03882	0.8
163.03938	1.9
165.05475	4.7
167.10648	2.6
173.13258	0.7
180.06636	1.7
182.08235	0.7
191.14410	0.7
195.54976	0.6
203.05269	1.0
243.04863	0.6
255.01807	0.6
259.16766	0.7
261.18164	1.1
273.02991	0.7
275.07300	0.6
277.17944	0.9
287.03876	2.3
289.05316	3.9
333.08014	0.7
335.09488	19.5
336.05231	0.5
340.43451	0.7
344.11520	1.1
345.11621	2.2
362.08423	1.2
435.11374	1.2
444.12097	0.8
481.24277	2.2
525.23120	100.0
526.23584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16929	0.4
53.03946	0.5
55.05505	0.7
56.96528	0.5
57.31130	0.5
67.05497	0.7
68.31730	0.5
69.07066	0.6
69.61833	3.7
71.04990	1.4
79.05509	0.6
81.07058	1.5
84.08132	0.5
85.02932	0.8
87.04469	0.7
91.05472	1.3
92.05772	0.6
93.07017	1.6
95.04987	1.0
95.08636	1.2
96.98554	0.5
98.20776	1.3
98.21439	1.0
98.97550	0.6
99.04458	0.6
102.18333	0.5
105.07024	1.3
107.08612	0.9
109.10118	0.7
119.08548	0.6
121.02837	1.8
121.06497	4.3
121.10119	0.8
122.06840	0.8
133.10109	1.1
137.05968	0.9
139.03926	0.7
149.09691	0.5
151.03961	0.9
151.11105	0.7
152.52194	0.5
161.09651	1.0
164.07065	1.2
165.05487	1.0
178.08688	0.6
179.10678	0.6
188.89856	0.5
190.04189	0.5
203.05267	1.6
209.15361	1.6
243.04663	0.8
245.06302	3.8
257.10602	0.7
259.16653	0.8
261.18176	0.9
285.09857	0.9
287.03778	10.1
289.05310	42.2
328.11450	0.7
330.09271	0.8
331.10220	0.6
335.09573	0.7
345.23996	2.5
347.25620	2.8
393.18970	3.5
405.14526	0.9
451.15775	1.8
481.24213	5.5
525.22876	100.0
525.30249	23.1
526.23022	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
63.11513	0.4
66.06359	0.4
67.05516	0.6
69.03429	0.6
69.07062	1.0
70.94295	0.9
70.94627	0.6
71.04991	1.5
79.05486	0.6
79.43816	0.5
81.07074	1.0
83.04979	0.5
85.02911	0.6
87.13312	0.5
91.05479	1.7
93.07054	2.0
95.04993	0.5
95.08620	0.5
97.02913	0.5
98.97581	0.6
99.04444	0.5
103.05422	0.7
105.07047	1.5
107.08606	1.0
109.06524	0.6
119.04898	0.7
119.08572	0.9
121.02851	1.6
121.06540	4.4
121.10165	0.9
122.06878	0.6
133.10104	0.9
139.03932	0.9
145.10095	1.0
147.04297	0.6
149.09784	0.4
151.03946	0.6
151.26833	0.4
159.07967	0.5
161.09633	1.3
164.07100	0.6
165.05490	0.6
178.08699	0.6
179.10684	0.8
203.05240	1.4
209.15398	0.8
212.24945	0.4
227.05167	0.8
243.04984	0.6
245.06313	3.7
259.16812	1.0
261.18167	1.0
271.04346	0.7
277.17380	0.5
285.10172	0.8
287.03735	11.5
289.05322	38.1
330.09903	0.8
331.10287	0.9
335.09521	1.1
345.24014	3.4
347.25607	4.6
357.77353	0.5
387.40808	0.5
388.56824	0.5
393.18912	3.6
405.14227	0.8
451.15784	1.5
481.24051	5.1
525.22906	100.0
525.30322	30.0
526.23383	1.1
554.75366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.05518	6.3
57.07071	1.7
67.05511	7.5
69.03437	6.0
69.07071	5.3
71.04981	2.9
73.94035	0.8
79.05506	8.2
81.03419	3.7
81.07059	15.3
83.04997	8.2
83.08613	3.5
85.02901	5.0
85.06532	3.0
87.00829	3.1
91.05487	5.6
93.07055	17.4
95.04967	1.7
95.08616	10.7
97.02894	2.2
97.06518	1.6
97.10146	1.4
99.04469	1.4
101.77121	0.7
105.01857	1.4
105.07041	13.4
107.04934	2.9
107.08599	14.3
109.02896	1.8
109.06525	3.4
109.10156	13.9
111.08092	2.5
113.09631	4.4
117.07011	1.1
119.08588	18.6
121.06516	7.7
121.09312	1.4
121.10149	21.3
123.08102	1.8
123.11695	4.0
125.09663	4.0
127.03922	3.1
130.09482	0.7
131.08566	1.7
133.06519	1.3
133.10135	34.2
135.08076	2.4
135.11716	6.8
137.09630	23.4
137.10707	1.0
139.11183	4.0
143.08612	1.7
145.10133	3.3
147.08041	3.3
147.11732	5.3
149.09653	4.4
149.13245	3.2
151.11201	9.8
157.10156	2.6
159.11708	2.8
161.09671	4.4
161.13263	4.4
163.11153	1.4
165.12833	1.3
171.11694	1.8
173.13300	1.4
175.11246	1.6
175.14851	18.1
185.13272	3.2
189.12712	2.6
193.15900	2.1
199.14963	1.6
201.16388	4.5
203.12692	0.9
203.14322	5.5
215.17973	1.0
217.15833	3.4
217.19536	1.4
221.15541	1.3
241.19476	3.3
259.20599	28.9
259.23340	1.5
277.21646	100.0
278.21960	1.0
289.21646	1.0
367.22525	1.3
385.23621	0.9
445.25931	1.1
489.24490	1.1
525.22754	3.4
525.30475	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71190	0.3
54.39885	0.3
67.05491	0.3
68.89060	0.2
69.28865	0.5
69.29264	2.4
81.07039	0.5
91.05489	0.6
93.07024	0.4
93.42740	0.3
98.21450	0.6
98.97631	0.4
111.04364	0.3
121.06527	2.3
122.06853	0.3
135.04427	0.3
153.23920	0.3
164.07169	0.3
164.55801	0.3
203.05322	2.6
237.14900	1.0
319.15744	0.3
344.11334	0.3
345.11884	0.6
345.23990	7.6
363.25009	1.1
437.25089	3.3
439.23007	1.6
507.29034	0.6
525.30383	100.0
526.30634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3217
Annotation	CHEBI:67872
Peak:m/z	Relative Intensity
53.03962	3.9
55.01875	6.3
55.05517	19.4
56.29250	4.1
57.03444	5.5
57.07069	7.9
67.05511	62.1
69.03426	29.0
69.07079	21.1
69.98238	2.9
71.04993	3.4
79.05504	33.8
81.03414	13.9
81.07059	79.2
83.04990	5.1
83.08618	10.0
85.02909	8.0
86.46528	3.1
89.06030	8.6
91.05484	29.9
91.82036	3.5
93.07044	38.1
95.04982	6.6
95.08617	53.7
97.06580	4.4
97.10172	11.3
103.05476	4.7
105.07038	27.1
107.04933	5.0
107.08614	23.6
109.06493	3.4
109.10172	25.8
111.04426	5.6
115.05466	8.9
117.07042	22.8
119.04830	4.0
119.08602	18.4
121.06500	36.0
121.10168	21.8
123.11712	10.7
123.68626	3.4
128.06247	10.1
129.07030	18.1
131.04938	8.7
131.08549	18.8
133.06493	13.6
133.10132	13.8
135.08064	6.7
135.11696	14.9
141.07024	11.2
142.07806	7.2
143.08565	10.2
144.05702	8.0
145.06514	25.8
145.10121	10.0
147.08067	9.6
147.11678	9.3
149.05956	6.2
149.09593	3.8
149.13277	9.0
151.07561	13.4
152.06200	3.8
154.07762	6.3
155.08563	10.3
157.06497	27.2
157.10114	8.5
158.07251	5.1
159.08057	23.0
159.11693	7.5
161.05969	4.0
161.09642	4.0
161.13216	8.4
163.07568	3.9
163.14746	4.9
165.05557	4.7
165.06978	7.8
167.08594	10.5
169.06447	8.3
169.10187	4.2
170.07210	7.5
171.08057	27.1
171.11670	4.0
173.06009	6.7
173.09633	13.3
175.07565	23.5
181.06505	7.1
181.10103	7.1
183.08087	23.5
183.11751	5.1
185.09647	18.2
187.07509	14.6
189.09093	9.3
189.12798	4.2
193.10258	4.1
195.08083	17.0
196.08755	6.6
197.09650	12.4
199.07506	17.7
199.11244	11.0
201.09087	11.7
203.10684	4.3
207.08078	11.2
209.09607	12.1
211.07570	11.6
211.11137	9.6
213.09131	26.8
213.12846	4.8
215.10751	4.0
217.05269	3.9
217.08713	9.5
219.08102	4.6
219.10129	3.7
221.09647	10.0
223.07564	8.5
223.11179	7.1
225.09068	11.6
225.12701	8.2
227.10670	9.7
229.08630	31.7
229.12206	4.5
231.10280	19.5
232.08691	4.8
233.09657	6.4
235.11259	4.2
237.09106	8.0
237.12747	6.2
239.10710	10.1
239.14279	4.0
241.08684	19.8
243.10252	8.3
247.09563	22.4
253.12080	4.5
253.16183	4.9
259.09668	9.8
259.20657	9.8
261.22256	7.8
263.10687	4.4
265.15961	4.4
267.13748	4.1
277.21555	6.5
279.23181	5.8
281.15283	8.0
283.13281	7.4
305.15280	4.0
340.29453	12.2
411.28806	3.8
421.27591	4.4
423.28922	8.4
447.29327	17.9
461.30606	10.8
465.29895	9.4
471.29218	10.7
477.29965	4.6
479.31488	6.6
489.30060	64.7
507.31131	100.0
525.32153	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
69.03459	0.4
70.56728	0.9
70.57116	0.9
73.02831	0.4
85.02910	0.6
90.05541	0.4
91.05478	2.8
93.07042	3.0
95.04967	0.7
103.05490	3.9
103.24723	0.4
110.82395	0.4
119.04951	0.4
121.06514	18.2
130.06578	2.1
131.04936	3.1
131.05840	0.4
133.06477	0.5
135.11382	0.4
137.06001	2.4
143.04694	10.7
146.06070	0.5
158.06026	0.9
162.05559	0.5
164.07135	1.4
165.32936	0.4
173.05792	1.4
176.07101	0.9
177.07829	1.8
178.08658	3.5
180.06627	0.8
186.05341	1.2
188.07161	0.7
190.08649	0.6
197.13284	1.7
200.06856	0.7
202.04997	0.7
204.06578	1.7
204.10301	0.5
206.08167	1.6
214.08417	2.1
215.06841	2.1
216.06659	1.0
218.08104	3.8
220.06328	1.0
220.09702	20.9
234.07616	2.0
236.09131	4.1
238.15236	0.5
240.06310	0.5
242.07874	7.0
262.07159	1.4
262.10715	0.5
264.08685	1.9
280.08191	7.6
306.11026	2.6
310.89572	0.5
322.10483	6.0
326.13925	1.1
336.12039	2.7
346.10489	3.6
346.14297	0.7
378.13147	16.4
400.13986	1.7
422.16129	2.9
494.19073	0.6
526.16876	100.0
527.17004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.50314	0.7
67.05491	1.0
71.04998	0.8
71.57253	1.0
74.09721	3.8
77.03931	0.9
81.03379	1.3
81.07042	0.7
84.04491	0.8
85.02906	1.3
86.18881	0.8
91.05492	8.5
93.07055	12.7
95.04986	4.3
95.08572	0.9
97.06545	1.1
103.05475	9.6
105.04494	1.3
107.08593	0.7
109.06511	3.1
111.04435	1.1
115.70832	0.7
121.06512	100.0
122.06809	1.4
122.77488	0.8
123.04478	1.1
131.04955	0.9
135.04404	0.7
135.08080	1.7
137.06047	3.4
147.04347	0.9
150.05508	12.4
151.03917	16.8
153.05481	2.2
154.06514	2.5
163.03914	1.3
164.07115	6.4
165.05502	4.1
167.07199	0.8
174.05518	1.8
180.06537	1.1
183.06648	2.0
198.05501	5.8
200.07062	1.4
202.08624	1.1
216.06560	0.9
226.04990	0.9
226.08649	1.0
227.05783	1.0
230.08145	2.7
236.07172	0.8
237.14883	0.8
244.06064	5.2
254.08096	3.3
258.07645	22.0
270.07974	0.6
270.11218	3.6
272.05679	0.8
272.09204	5.3
282.07513	2.2
286.10675	3.2
296.09326	1.0
300.08673	10.4
304.11612	1.1
314.10226	8.1
317.10690	0.8
328.11771	2.1
332.11304	54.1
346.12872	8.2
364.11810	1.5
374.12360	56.6
378.13400	3.4
406.14963	1.7
420.14243	1.3
434.15866	1.5
452.17059	58.0
494.18100	31.8
526.22314	5.2
526.30658	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	526.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03941	1.7
56.96541	0.4
67.05510	0.5
68.17559	0.3
71.57613	0.3
71.66424	0.3
72.67564	0.3
76.69776	0.3
79.05486	0.5
81.07059	0.8
91.05479	5.4
93.07038	7.8
95.04974	2.2
95.08586	0.4
96.04461	0.4
103.05476	5.7
105.04492	0.5
106.06532	0.4
108.04510	0.4
118.06537	1.1
121.06503	100.0
124.03941	2.4
134.05983	1.6
138.05502	36.4
146.05977	0.5
150.05518	0.9
151.06293	0.4
154.05014	0.4
162.05508	0.7
163.06270	0.6
164.07051	3.8
165.07867	0.7
174.05516	0.6
176.07048	0.6
180.06560	0.5
188.07118	0.4
190.04974	3.3
191.05632	0.5
192.06554	0.9
196.07489	0.4
204.06560	2.5
206.08116	10.7
208.06070	1.6
216.06468	0.6
218.04568	2.1
218.08012	0.5
220.06068	0.6
222.07626	5.3
232.06053	1.7
234.07574	2.6
236.05542	5.2
239.61981	0.4
244.09679	1.9
246.07619	0.4
250.07101	49.6
254.29187	0.3
296.12894	0.8
300.15634	0.5
314.13898	2.0
328.15359	1.4
332.14886	8.4
346.16476	89.8
347.16730	0.6
370.12775	1.6
388.17523	3.1
452.20642	4.4
466.22272	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	526.2442
Annotation	Mer-WF-1726
Peak:m/z	Relative Intensity
50.25122	0.5
51.65469	0.5
53.03936	1.7
55.01856	1.1
55.05498	0.8
55.29699	0.5
59.00128	0.5
60.22195	0.4
60.57530	0.4
67.05524	0.6
67.41280	0.4
71.57001	0.4
79.05476	0.9
81.07037	0.9
84.08167	0.5
85.02889	0.7
91.05483	7.2
92.05016	0.9
93.07046	9.6
94.39878	0.5
95.04971	1.8
95.08601	0.6
96.50443	0.5
100.81135	0.5
103.05468	8.2
105.04514	1.0
107.62464	0.4
113.02390	0.7
118.06539	1.6
120.04427	2.3
121.06511	48.8
133.10133	0.5
143.44502	0.5
146.05978	2.9
146.58267	0.5
152.07066	4.9
152.21300	0.5
158.06030	1.0
162.65163	0.6
164.03459	0.8
164.07106	1.4
175.06213	0.5
176.07098	1.3
178.05006	5.7
178.08638	7.5
184.07356	0.6
186.05458	1.1
188.07063	1.3
190.05032	1.0
190.08665	1.3
196.06073	0.9
202.08676	0.6
203.05812	1.9
204.02843	0.8
204.06532	2.7
214.05016	4.5
218.04504	11.3
218.08121	2.1
220.09746	2.7
232.06053	8.9
233.07008	0.6
237.08479	0.6
242.08110	0.9
246.07634	43.2
248.09212	1.4
255.08911	1.4
258.07709	1.7
264.08682	19.3
272.05515	1.2
272.09213	0.7
308.04788	0.5
308.07553	2.4
312.15982	1.1
326.17508	3.4
330.17032	2.2
344.18576	12.4
346.16458	1.9
356.14902	1.3
362.19604	5.3
374.16083	2.2
388.17514	4.3
406.18585	8.7
427.93857	0.5
428.13361	2.7
526.24390	100.0
527.24866	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03961	0.8
67.05507	1.9
68.63701	0.5
69.03440	1.0
69.43811	4.7
70.06593	100.0
76.27887	0.6
81.03410	2.2
81.07059	0.7
83.04959	0.7
85.02906	2.0
85.06546	0.7
91.05485	2.0
91.93407	0.6
93.07034	1.0
95.08629	2.5
97.02913	0.7
99.04493	0.9
103.05460	0.8
107.08631	0.7
109.02882	5.1
109.06547	0.6
109.10220	0.7
112.07607	98.1
116.07092	3.7
119.04970	1.5
121.06499	2.2
121.07363	0.6
121.10157	1.1
123.08064	1.7
127.03909	3.6
131.04948	0.8
137.05988	2.6
140.07068	59.8
147.04437	1.4
149.05980	1.0
149.09663	1.0
149.78098	0.7
158.08130	23.4
163.07578	0.7
166.08536	0.7
175.03864	1.7
177.05438	1.1
189.12726	2.1
190.04825	0.9
200.09160	2.1
207.06482	4.5
207.13824	2.7
230.10179	1.0
255.61133	0.7
266.10272	4.7
284.11295	20.0
302.09222	1.0
302.12347	14.9
325.11816	1.5
379.98892	0.7
526.23260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28967	0.2
51.02382	0.2
53.03942	0.8
55.01862	0.3
55.05510	0.5
57.03432	0.4
61.02931	0.3
65.03922	0.2
65.40307	0.2
67.05504	0.3
69.03431	1.5
71.04987	0.5
71.29528	0.4
76.28969	0.2
77.01501	0.2
77.03935	0.4
79.05502	1.7
81.03423	0.9
81.07065	0.7
83.19920	0.2
85.02907	3.8
91.05487	4.0
92.72482	0.2
93.07048	9.0
95.04980	1.6
97.02900	1.0
97.06550	0.4
99.04460	0.5
99.29194	0.2
103.05473	3.5
103.43466	0.2
105.04522	0.3
105.07038	6.5
107.08601	5.8
109.06516	0.5
111.08061	0.4
117.07034	0.8
119.04942	0.5
119.08596	1.4
121.06513	100.0
121.10107	2.0
122.06826	0.4
123.04413	0.5
127.03901	0.4
130.07753	0.4
131.08607	0.9
135.08052	2.7
135.11708	0.9
137.06029	0.2
145.04941	0.6
145.10127	6.5
147.04384	0.3
147.11702	0.8
149.05881	0.3
149.09634	3.5
150.05598	0.3
151.77930	0.2
163.11185	7.9
164.01205	0.2
164.07082	1.2
165.05524	0.2
173.05995	0.7
173.09622	0.9
181.12224	0.7
182.08200	0.2
191.10686	10.7
209.11761	1.7
227.12875	0.5
278.22122	0.3
296.47604	0.2
311.16418	1.0
314.10446	0.3
328.11899	1.0
329.17493	9.1
346.12994	0.2
346.16461	1.0
347.18527	3.8
356.11166	0.4
367.52298	0.2
526.21057	0.4
527.21558	0.2
543.75470	0.2
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
51.82458	1.3
53.03938	4.8
55.01857	3.1
55.05504	5.1
57.03433	1.5
57.91953	1.4
67.05486	5.1
69.03432	15.9
69.07049	1.8
71.05019	7.0
71.17735	2.4
78.84700	1.3
79.05489	17.4
81.03418	37.8
81.07058	6.4
83.04977	5.5
85.02894	6.2
89.93925	1.3
91.05481	13.3
93.07044	50.3
95.04958	7.7
95.08604	3.9
97.02901	8.2
97.06526	5.1
99.04457	17.8
101.06008	2.7
103.05521	1.9
105.07032	41.9
107.04979	2.2
107.08598	100.0
109.02873	20.1
109.06514	6.4
109.10122	1.8
111.04468	10.6
111.08064	5.1
117.07018	4.4
119.04952	1.4
119.07903	1.5
119.08592	15.1
121.06513	41.4
121.10146	41.3
123.08098	2.7
127.03910	21.0
130.07802	3.5
131.08571	7.3
133.10143	4.3
135.04475	1.9
135.08061	10.3
135.11690	18.0
137.05992	1.5
138.34247	1.3
139.07527	3.0
143.08559	2.0
145.06470	2.3
145.10123	41.5
147.08052	1.7
147.11690	3.7
149.06058	2.2
149.09608	14.4
151.07576	2.5
155.08557	1.7
157.10094	1.7
159.08092	2.0
161.09599	3.9
163.07515	2.2
163.11191	93.7
164.07114	2.5
165.05400	1.5
173.09618	14.3
181.12251	21.0
189.09138	3.5
191.10675	91.9
195.07773	1.6
201.16492	1.4
207.10059	1.7
209.11736	32.5
215.10728	1.5
227.12798	51.3
253.12209	2.1
271.13239	3.9
289.14313	4.9
299.12598	8.9
307.15479	2.4
317.13818	24.0
335.14874	25.8
353.15945	76.7
371.17035	15.3
526.23352	3.7
526.30634	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	526.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62135	1.6
52.17476	1.4
53.03946	6.7
54.93612	1.4
55.05509	3.8
55.40557	1.3
57.03458	2.3
59.89096	1.3
65.50853	1.5
67.05503	6.9
68.04969	1.4
69.03441	16.4
69.07089	1.7
71.00075	3.0
71.00453	3.4
71.04993	7.1
74.09737	1.6
79.05499	22.1
81.03427	34.9
81.07081	7.6
83.04999	3.5
85.02912	5.4
91.05479	11.8
93.07047	46.2
93.07626	2.6
95.04978	4.5
95.08636	2.6
97.02864	7.3
97.06540	5.6
99.04470	16.7
100.01379	1.6
103.05496	3.3
105.07037	41.3
107.04960	2.2
107.08604	100.0
109.02885	18.3
109.06516	3.4
111.04464	8.5
111.08102	8.0
117.07030	5.2
119.08595	13.8
121.06522	39.1
121.10154	43.0
123.04430	1.7
125.56782	1.6
127.03910	18.2
130.07817	3.2
131.08614	7.6
133.06509	2.6
133.10118	3.3
134.32651	1.6
135.08063	11.6
135.11697	16.9
137.06030	1.8
143.08568	1.8
145.10132	38.5
147.08131	2.3
147.11722	5.6
149.05959	3.5
149.09647	14.7
151.07587	1.8
155.08575	2.2
161.09631	5.8
163.11197	81.0
173.09619	11.7
179.10770	2.1
181.12245	22.8
189.07562	1.5
189.09123	5.9
191.10689	74.6
193.20338	1.6
207.10101	1.7
209.11772	27.7
217.76799	1.8
227.12799	48.3
243.13942	2.2
253.12286	2.8
257.11798	1.7
264.12341	2.1
271.13345	3.7
275.12970	2.1
289.14429	5.3
299.12723	7.0
307.15588	2.4
317.13928	20.8
335.14917	28.4
348.26331	1.6
353.15997	72.7
360.10779	2.2
371.17065	12.6
482.84460	1.7
522.60834	1.6
526.22467	4.8
526.30615	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	526.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.05520	14.4
57.03439	11.1
57.07067	5.7
59.04992	6.0
65.03930	2.9
67.05509	100.0
69.07075	14.0
69.25040	14.3
71.04995	2.1
71.08630	2.7
79.05500	7.8
81.07064	43.8
82.24452	1.8
83.08627	9.6
84.03371	1.6
85.04809	1.8
85.06519	2.9
85.10193	2.0
89.06033	35.7
91.05493	12.2
93.07052	10.9
95.08619	23.8
95.67910	1.6
97.06532	2.9
97.10164	5.4
105.07039	5.5
107.08584	5.7
109.10165	67.1
109.33168	1.7
111.08090	3.3
119.08582	9.4
121.10165	6.6
123.11705	5.4
133.08609	19.3
133.10155	2.5
137.09566	1.9
139.35612	1.6
147.11708	2.1
152.56450	1.8
155.10674	6.1
173.11758	19.5
175.14798	2.0
177.11264	5.4
229.14363	85.0
245.22676	2.0
263.23712	2.5
327.20154	16.5
337.27396	75.0
491.37378	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	527.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83091	3.6
69.03399	6.4
70.32565	3.9
85.02912	17.9
97.02887	12.2
101.00834	5.9
103.00592	3.5
110.32910	3.9
119.01945	7.8
126.40819	3.8
127.03905	8.5
143.01897	12.6
145.04930	6.9
153.43672	3.6
155.01974	6.2
157.03456	4.5
161.02966	8.4
167.01936	4.3
173.02876	6.7
184.05659	4.9
184.55908	12.8
184.73676	3.7
185.02953	8.5
187.02647	4.1
197.02921	4.6
203.03943	5.3
210.93993	10.2
245.05060	27.2
274.08630	4.7
274.58777	7.9
305.07434	6.2
347.08530	4.0
365.05814	22.0
367.10501	5.5
465.63226	3.8
527.11523	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04413	0.5
65.80510	0.6
69.07082	0.6
69.75859	3.0
81.07066	1.0
86.06082	0.6
93.07027	0.6
98.21468	0.9
121.06532	1.8
122.06780	0.6
164.07094	0.6
189.57236	0.5
201.03865	0.7
203.05374	1.3
206.08231	1.1
207.08563	0.7
243.04721	2.6
245.06412	3.2
261.18250	1.5
263.19897	2.0
264.52588	0.5
268.77008	0.5
271.04349	0.7
279.19351	6.6
287.03748	19.2
289.05319	28.9
321.19220	0.8
335.09393	0.9
347.07513	1.1
441.24646	0.9
483.25732	10.0
527.24695	100.0
528.25073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80219	0.4
58.08343	0.4
64.59299	0.4
69.41725	0.9
69.42130	2.2
73.10311	0.4
81.07079	0.8
86.06096	0.7
91.05509	0.6
93.07041	0.8
97.02823	0.5
103.69469	0.4
105.07022	0.5
105.52488	0.5
118.07225	0.4
121.06527	1.3
124.99996	0.7
126.32101	0.5
164.07062	0.5
165.84045	0.4
185.04294	0.7
194.25801	0.4
203.05344	1.3
203.15915	0.4
206.08110	1.0
207.08482	0.6
214.27475	0.4
243.04871	1.9
245.06374	3.2
250.86186	0.4
254.80392	0.4
261.18246	1.9
263.19907	1.8
267.67538	0.4
271.04379	0.5
279.19360	7.1
283.68777	0.4
287.03760	18.8
289.05313	28.7
298.37186	0.4
321.19180	0.6
328.56723	0.5
335.09485	1.0
345.91489	0.4
347.07288	0.6
441.24796	1.6
483.25702	10.0
509.23380	0.6
527.24689	100.0
528.24976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
54.08045	0.6
55.01867	1.2
55.05516	9.3
57.03440	2.8
57.07080	1.2
65.03941	0.8
67.05512	19.6
69.07073	9.9
71.04993	1.6
75.40990	0.7
79.05500	13.2
81.03426	1.4
81.06581	1.1
81.07063	21.0
82.86477	0.5
83.04984	2.1
83.08623	4.9
85.06540	1.3
91.05490	15.3
93.07052	15.6
95.04977	2.2
95.08615	13.5
97.06541	2.4
97.10172	2.1
98.20725	1.5
99.08122	0.7
105.07037	14.0
107.08602	8.9
109.06552	1.1
109.10151	4.7
111.08093	1.4
115.05491	1.3
117.07042	8.2
119.08589	12.7
121.06507	2.0
121.10151	7.0
123.08073	1.1
123.11714	0.8
125.09631	1.1
128.06245	3.0
129.07014	7.3
131.08586	13.8
133.10133	7.4
135.08122	0.9
135.11708	4.1
137.09616	1.2
139.11237	0.7
141.06966	3.7
142.07797	2.0
143.08583	11.0
143.29707	0.7
144.09319	1.4
145.10139	16.0
147.10680	0.5
147.11685	4.1
149.13315	2.8
154.07806	1.3
155.08585	5.3
156.09328	0.9
157.10132	12.6
157.11302	1.1
159.11702	11.3
161.09589	0.7
161.13322	1.7
165.07011	1.0
167.08563	1.9
168.09221	0.8
169.10153	8.1
170.10898	0.6
171.11705	10.9
173.13272	6.3
175.11140	0.8
175.14778	0.6
177.05548	0.8
179.08652	1.3
181.10132	3.4
183.11729	8.6
185.13277	8.0
187.14857	3.2
193.10150	1.1
195.11737	4.0
195.13342	0.6
196.61128	0.5
197.13277	5.6
199.14833	4.4
201.16447	1.1
207.11786	0.8
209.13342	3.3
211.14801	3.3
213.16429	1.5
221.13228	1.1
223.14844	2.1
225.16466	2.0
227.17885	0.9
235.14856	1.7
237.16409	1.2
239.17990	0.9
241.19492	1.1
249.16508	1.0
251.17952	0.8
253.19638	0.6
259.20636	2.2
263.17752	0.6
265.19604	0.7
269.17374	0.8
271.20761	0.8
275.20261	0.9
279.21191	0.9
287.20370	0.6
291.21237	0.6
295.20486	0.6
297.22272	1.2
309.22165	1.2
311.23773	1.4
313.21738	0.7
315.23273	2.5
325.25443	1.2
327.23187	0.9
337.25443	0.8
341.24789	0.7
349.25217	0.7
353.24927	1.2
367.26465	0.7
385.70932	0.6
417.31723	3.3
435.32651	10.8
453.33682	5.0
471.34720	3.1
473.34024	1.0
491.35107	2.0
509.36197	7.4
512.22943	0.7
527.37378	100.0
528.37811	1.4
547.33209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44610	0.8
67.05497	0.9
68.19370	0.7
71.58343	1.4
78.87431	0.7
84.04520	0.9
91.05482	1.9
93.07036	1.9
97.02876	0.8
103.05441	1.0
105.73159	0.7
121.06506	6.1
130.06537	1.3
137.06023	4.0
138.05481	0.9
145.02844	1.1
147.04314	0.9
150.22769	0.7
151.07500	0.8
157.10175	1.2
158.06055	0.7
164.07095	2.4
177.05457	1.7
179.05690	0.8
179.31134	0.7
180.06552	1.5
190.08636	19.1
190.10265	1.4
194.08139	4.3
202.04944	1.1
217.07130	13.8
222.11198	4.0
223.08401	1.0
232.09428	12.2
232.11520	1.0
236.09180	1.8
238.07065	9.9
250.10622	2.4
251.07919	1.1
262.10559	6.7
266.10263	11.8
272.09012	1.0
276.08304	2.4
283.56250	0.8
304.11578	100.0
322.12354	0.9
326.12344	22.6
337.10837	1.0
346.12784	1.4
348.10553	21.7
355.11853	0.9
370.16614	2.3
392.14746	6.5
452.17545	1.1
484.19550	3.9
528.18457	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	528.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38908	0.5
55.05512	0.9
57.03429	0.8
57.07071	1.0
57.47215	0.4
67.05522	0.5
69.03429	1.2
69.07079	4.8
71.04980	0.9
71.08636	0.7
71.57870	0.7
72.98805	0.5
73.02918	2.0
73.06598	0.6
74.56200	0.6
81.03419	1.3
81.07076	1.5
84.08165	0.5
85.02901	1.7
89.06021	2.1
90.14909	0.6
91.05498	0.6
93.07037	1.9
94.07402	0.5
95.01096	8.0
95.04945	0.5
95.08597	0.6
97.02889	1.9
105.07033	0.8
106.12550	0.6
107.08591	1.8
107.44065	0.4
108.08954	0.9
109.02895	0.7
111.11736	7.0
115.03936	0.9
119.08644	0.5
121.06525	4.4
121.10133	0.8
122.06860	0.9
122.10479	0.6
127.04018	0.5
129.12769	8.0
135.08069	0.6
135.11758	0.5
145.04999	0.5
145.10095	0.6
163.03909	0.5
163.11154	1.4
164.11548	1.5
180.06548	0.8
186.29749	0.5
190.08664	0.9
191.10715	1.0
191.91623	0.5
192.11098	0.7
194.08199	2.5
199.16980	2.3
204.57555	0.5
217.18033	3.0
223.08432	1.8
227.12804	0.7
236.09175	1.3
238.07117	8.8
241.05795	1.1
248.09192	0.7
251.07899	0.6
252.08730	0.7
266.10245	10.8
266.12918	0.9
276.08481	8.5
284.11371	0.9
298.06760	0.7
300.08429	2.3
309.12808	0.5
316.07935	3.9
325.38510	0.6
326.12354	17.4
330.09497	12.4
330.13202	1.0
348.10565	100.0
355.16611	0.8
364.11505	2.3
377.51547	0.6
378.86349	0.5
392.14383	0.6
414.15195	0.7
436.13730	2.1
496.15781	2.4
528.18427	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05503	0.9
63.57679	0.6
64.05151	0.8
69.03453	0.7
69.63737	1.9
69.64157	2.8
70.06573	1.5
81.07005	1.0
85.02905	0.8
87.04469	13.8
91.05502	2.4
91.30535	0.7
93.07043	2.2
100.11266	1.6
100.11913	0.9
103.05482	1.8
109.02646	48.1
115.23642	0.8
119.08578	1.2
121.06501	15.0
122.06824	1.5
123.04425	0.9
140.21912	0.8
141.16754	0.7
147.04430	1.7
148.03951	1.3
152.07043	1.1
164.07100	1.8
180.06544	9.8
190.05011	1.1
204.10107	0.8
207.12871	0.7
240.08705	5.9
262.06876	22.8
304.15561	0.9
326.12341	8.1
330.09549	5.6
336.09933	0.8
341.22888	0.8
348.10553	100.0
364.11548	4.3
390.19550	0.9
396.20734	1.5
428.17331	1.0
450.15317	3.0
495.83679	0.8
528.18243	10.9
528.25104	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.05514	1.3
56.11592	0.7
70.06591	1.9
71.56263	1.1
79.05496	1.0
81.19353	0.9
84.04467	0.7
84.08139	1.7
84.96040	0.8
85.02904	2.1
86.09708	1.3
87.04479	10.9
91.05483	2.7
93.07046	2.6
95.04948	1.1
98.97547	0.9
100.11266	2.1
103.05483	2.0
104.10764	1.3
107.08639	1.0
109.02647	54.1
112.11273	0.8
114.55935	0.8
119.04951	1.0
119.08611	1.2
121.06519	14.3
122.06816	1.0
123.04454	1.1
132.92349	0.8
147.04459	1.9
148.03978	2.3
156.34256	0.8
164.07135	2.2
170.83708	0.7
178.08653	1.5
180.06581	13.2
182.15276	0.8
184.07259	0.9
190.04988	1.0
213.34932	0.9
240.08626	7.5
262.06903	26.5
272.20142	0.8
278.17566	1.0
326.12405	9.2
330.09387	5.4
346.09097	1.2
348.10562	100.0
364.11554	5.3
364.25107	0.8
396.20724	2.6
428.17072	0.8
450.15247	3.0
455.57565	0.8
528.18256	8.3
528.25165	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
65.03923	0.8
67.05489	1.1
79.05484	1.0
81.07024	0.7
86.87231	0.6
91.05482	5.1
93.07060	7.9
95.04983	1.5
103.05482	4.9
105.07046	0.8
109.10195	0.6
121.06512	100.0
124.03955	2.2
136.44969	0.6
138.05511	37.7
162.05504	0.8
163.06209	0.6
164.07048	3.6
190.05002	3.6
192.06581	1.2
204.06612	2.2
206.08142	10.9
208.06099	1.1
217.11272	0.7
218.04546	2.9
222.07608	4.8
232.06030	1.5
234.07626	1.5
236.05533	5.4
237.15042	0.7
238.65836	0.7
244.09714	1.6
250.07127	57.4
270.14844	1.0
275.88330	0.6
286.57813	0.6
298.14563	0.8
330.17072	2.3
334.16467	13.2
348.18066	90.2
349.18527	0.7
358.66541	0.7
370.12808	1.9
390.19226	2.8
391.51282	0.8
454.22290	5.5
468.23999	7.1
502.09488	0.8
554.40900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
53.03939	3.1
55.01859	3.1
62.88882	0.9
67.05499	1.7
69.07076	1.3
70.50267	3.1
77.03957	1.0
77.52673	0.8
79.05470	1.4
80.15620	0.8
81.07033	1.3
87.04472	70.3
91.05493	12.9
93.07050	15.0
95.04961	3.7
95.86954	0.9
97.06497	1.8
103.05477	11.8
105.04494	2.0
115.28226	0.9
115.42313	0.8
117.07012	0.9
121.06512	100.0
133.10074	0.9
138.05508	2.5
150.05516	43.7
164.07088	34.6
165.07893	0.9
177.08063	1.0
178.05045	1.7
192.06589	2.5
220.13284	1.0
222.07790	1.0
230.11691	1.6
234.88615	1.0
236.09180	67.0
248.12779	4.0
250.10764	35.7
250.12732	0.6
251.11482	2.0
262.14508	2.8
264.08597	3.0
270.11264	2.7
278.10217	3.7
304.09454	1.2
316.15302	1.1
334.16504	53.0
348.18057	33.7
356.10504	1.8
356.14923	31.4
376.17563	65.6
408.20078	2.1
454.22278	67.4
496.23331	32.9
528.25934	18.4
542.63049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.6
56.96529	0.9
57.03440	7.8
57.07080	13.6
59.04993	3.1
61.02923	2.1
67.05491	1.1
69.03073	1.4
69.03433	17.1
69.07074	57.5
70.06557	1.1
71.01357	1.1
71.04991	4.2
71.08636	9.9
71.16763	1.9
73.02927	14.1
73.06562	13.5
81.03402	1.4
81.07047	1.5
81.35236	0.9
83.08585	1.6
84.08138	1.1
85.02916	17.6
85.10171	3.7
87.04470	5.4
89.06039	29.6
91.05441	0.9
93.07049	2.1
97.02905	15.8
99.11739	1.3
105.07027	1.0
107.04990	0.8
107.37229	0.7
109.02900	1.1
111.11729	82.5
115.03936	12.4
115.53268	0.9
121.06527	8.4
127.03941	2.9
129.12767	100.0
133.04984	6.7
145.04924	2.9
163.03934	1.4
163.05984	1.2
199.16965	22.7
217.18005	42.4
236.55699	1.1
244.65355	0.8
249.88905	0.8
259.08054	0.9
375.15585	2.7
449.66473	0.9
455.84872	1.0
528.24908	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	528.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37005	0.7
55.05507	7.3
55.60120	0.6
57.03442	9.8
57.07075	11.6
59.04995	2.6
61.02910	3.0
62.72730	0.7
67.05509	1.0
69.03435	13.2
69.07070	52.1
69.32302	6.3
69.58438	0.7
71.04987	4.7
71.08636	9.3
73.02921	16.9
73.06560	10.2
79.05489	1.0
81.03426	0.8
81.07081	1.2
83.04951	0.8
83.08630	2.1
84.08124	0.9
85.02421	1.0
85.02907	13.5
85.10201	3.7
87.04456	2.9
89.01173	0.7
89.06035	29.4
91.03960	0.8
91.05499	1.8
93.07037	1.9
97.02892	16.1
99.11739	1.5
105.07024	1.1
108.54012	0.7
109.02834	0.8
111.11721	80.6
115.03926	10.3
121.06505	10.9
127.03928	3.1
129.12758	100.0
133.04979	3.0
133.10051	0.8
145.04959	3.0
147.04387	0.8
147.11668	1.0
150.12849	0.7
163.06088	1.7
170.15367	1.4
172.14728	0.8
199.16936	25.3
217.17990	43.4
237.48195	0.7
241.07053	1.1
259.08215	1.3
311.25806	0.7
375.15735	3.9
528.24969	5.8
528.31561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.3
55.01881	5.1
55.05515	33.1
57.03436	10.2
57.40594	5.1
67.05510	91.4
69.03439	50.0
69.07077	25.3
69.14415	5.0
70.75256	15.7
71.05002	9.2
79.05499	75.8
81.03429	82.7
81.07060	100.0
83.04980	11.0
83.08620	15.4
85.02915	33.0
91.05489	64.3
93.07054	79.1
95.04970	11.6
95.08623	74.7
97.02914	41.9
97.06538	10.8
99.04404	10.0
105.07046	44.8
107.04961	6.9
107.08624	40.9
109.02854	27.5
109.10159	35.3
111.04459	9.9
117.07020	18.2
119.08585	37.4
121.06508	6.4
121.10145	44.5
123.11710	13.8
127.03904	26.9
129.07007	6.3
131.08580	27.1
133.10156	30.2
135.11685	29.7
137.13188	5.2
143.08542	12.1
145.04971	7.3
145.10074	23.8
147.11699	17.8
148.85931	5.6
149.09637	6.6
149.13274	18.3
155.08553	8.7
157.10121	10.8
159.11780	30.3
161.13284	14.2
163.14792	9.0
171.11684	12.0
173.13271	18.7
175.11162	5.7
175.14743	5.4
183.11722	11.4
185.13324	8.9
187.14836	8.7
188.43904	4.6
209.13211	6.6
222.55154	5.0
243.21132	9.7
259.20602	9.4
261.22226	32.8
271.20813	5.1
277.21640	13.1
285.22232	5.0
289.21381	5.7
291.23251	6.6
301.21515	7.6
303.23123	16.5
315.23215	10.3
322.37778	4.6
327.23187	8.5
351.23178	15.1
369.24268	35.0
387.25388	31.2
405.26318	44.7
423.27344	12.9
466.86487	5.9
528.33344	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	529.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55490	0.7
55.01862	1.3
56.96559	1.1
57.03437	1.6
61.02917	1.6
62.60480	0.9
63.17601	0.7
69.03436	5.1
70.06583	0.7
71.04986	2.9
71.57700	1.3
73.02907	1.9
81.03424	1.8
83.04979	1.0
85.02906	12.9
87.04462	1.2
91.03928	1.0
91.05457	0.9
97.02906	4.2
98.97597	4.8
99.04453	1.1
101.00885	2.4
103.05469	0.7
110.97596	0.8
116.98603	1.2
119.01910	2.6
127.03924	4.0
129.05505	1.3
131.00160	1.2
131.01883	1.2
133.03445	1.0
137.05969	4.4
139.02422	0.7
143.00134	0.8
143.01874	2.5
145.01619	1.0
145.03467	1.0
145.04956	2.8
147.04359	1.1
157.03490	3.7
158.99699	1.1
161.02972	1.8
163.03839	1.1
163.14966	0.9
167.07043	1.3
169.03502	0.8
171.01404	1.1
171.07744	1.5
173.02936	0.9
175.04517	1.6
177.05446	1.0
179.07054	1.4
187.04553	0.9
192.04774	1.1
203.04066	0.9
209.04785	0.8
211.04657	1.1
219.01825	1.7
223.06844	3.5
225.06166	2.2
237.02901	1.3
245.05095	1.7
253.09430	1.0
263.05984	1.1
265.07840	2.4
267.07281	1.1
268.23438	0.9
272.57074	0.9
273.08081	0.8
276.30502	0.8
277.07800	4.9
281.08704	1.1
311.09708	0.9
337.09821	2.5
347.00613	0.8
347.08139	4.3
365.09390	1.3
367.11063	3.8
384.14584	1.1
404.94720	0.7
415.09219	0.8
491.15152	0.8
529.13171	100.0
530.13800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01620	0.2
53.03948	0.5
58.25508	0.3
65.03958	0.4
69.03416	0.3
69.46394	0.3
70.67052	0.8
77.03955	0.4
91.05491	4.6
93.07058	3.9
95.04981	0.4
103.05473	2.3
115.05474	3.6
116.05026	0.6
117.05766	1.4
117.07036	3.7
118.06557	54.1
120.04514	0.4
120.57239	0.3
121.06518	22.6
132.08070	0.7
141.31624	0.3
142.06532	4.0
143.07310	5.2
144.04460	4.7
144.08098	23.3
145.06523	0.3
146.06024	100.0
147.06349	0.4
155.06058	0.8
160.07579	1.4
162.05521	1.2
170.06024	7.2
172.03957	2.0
176.05539	0.3
176.07088	8.0
178.08653	10.0
188.07083	86.0
190.04984	1.6
204.06578	10.6
218.08130	0.6
222.07649	9.6
234.07661	0.5
236.09178	0.7
262.06992	0.4
280.08142	0.9
342.13403	46.5
343.13809	0.4
376.09518	0.3
391.12531	0.4
400.14038	2.1
409.13837	0.6
418.92987	0.3
434.08078	0.3
523.19043	0.3
529.19666	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10870	1.7
53.03952	3.3
55.01880	3.8
55.05507	2.1
56.96580	7.5
57.03430	6.4
61.02924	9.7
67.05499	3.8
69.03436	19.7
69.07075	8.7
69.33131	2.4
69.33527	11.6
70.06593	2.3
71.04996	18.6
73.02923	3.8
79.05499	6.6
81.03439	8.5
81.07064	58.7
82.07438	1.8
83.04989	4.9
85.02913	74.8
85.03431	3.6
91.03951	3.7
91.05492	3.2
93.07029	4.8
95.04994	2.2
97.02894	22.2
97.06528	3.9
98.97621	11.7
99.04453	4.0
99.08128	2.9
105.07054	2.9
107.08618	9.1
109.02916	2.5
109.06579	1.9
109.10155	13.4
110.97571	2.9
111.11731	4.3
116.98643	2.7
119.04921	1.7
121.06526	2.6
123.11724	20.2
127.03931	15.5
128.04309	2.0
128.98598	2.2
130.06531	1.9
133.10152	3.9
139.11197	7.3
139.52928	1.5
143.00125	3.2
144.08127	2.2
145.04958	20.6
147.04451	8.3
151.11201	21.5
153.53070	1.7
157.12253	10.4
161.01299	1.8
163.03899	7.2
163.06035	4.0
165.05507	2.7
169.12244	37.4
173.08014	1.6
187.13312	100.0
190.08662	2.7
191.08890	1.8
194.07047	2.3
199.06396	3.4
203.07565	15.7
205.14383	21.6
212.08110	5.4
217.07491	3.2
219.01764	7.5
237.02797	4.5
239.02269	5.1
243.09032	7.9
245.06789	1.7
257.03333	5.4
261.10135	15.0
284.10095	5.1
285.09915	5.6
342.04874	1.6
349.11050	2.4
349.18582	4.5
365.05576	6.5
383.06586	10.2
405.14432	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.05514	4.0
55.36059	0.4
57.03445	3.4
65.03919	1.1
66.58581	0.4
67.05511	16.2
69.03423	0.8
69.07082	4.7
69.73363	0.7
69.73777	1.7
71.04984	0.7
73.41775	0.5
77.51746	0.4
78.25381	0.4
79.05072	0.6
79.05499	8.8
81.07063	12.7
83.04951	0.4
83.08619	1.4
91.05486	4.4
93.07056	8.7
95.04939	0.8
95.08616	11.2
97.06538	0.6
105.07021	2.4
107.08595	4.6
109.06527	0.4
109.10172	3.2
111.08100	0.4
115.03683	1.3
116.10281	0.4
117.07020	0.9
119.08568	1.7
121.06549	0.5
121.10155	3.4
123.11719	0.8
127.03893	0.4
131.08592	1.5
133.10115	1.4
135.11726	2.1
137.46198	0.5
145.10175	0.9
147.04341	0.4
147.11685	0.9
149.13292	0.7
156.97491	2.1
159.11681	0.6
163.14780	0.4
173.13354	0.6
174.98546	1.0
176.99254	4.0
182.98962	0.4
184.07397	0.6
189.94133	0.4
195.00319	100.0
201.00078	0.6
213.00090	3.9
222.34795	0.4
260.61716	0.4
269.03717	0.6
301.20261	1.4
319.21167	0.6
335.25809	16.9
357.23965	1.0
362.97415	0.5
375.24899	0.9
437.19824	0.6
455.20541	1.9
473.21524	0.8
511.24216	0.9
521.99060	0.5
529.25256	22.3
529.38196	0.9
530.24805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
53.03938	2.7
55.01876	1.7
55.05519	12.6
57.03454	8.0
57.07068	2.9
58.33517	1.3
65.03936	2.7
67.05510	65.1
68.01778	1.2
69.07076	14.2
71.01340	1.5
71.04986	2.8
71.39361	2.5
73.02907	2.0
79.05501	36.5
81.03421	2.2
81.07066	64.0
83.04997	2.8
83.08626	6.5
85.02915	7.6
85.06564	1.7
86.09692	1.8
91.05487	18.6
93.06477	2.0
93.07054	36.1
95.01318	4.4
95.04961	3.2
95.08619	48.8
97.02951	1.9
97.06535	2.3
105.07050	17.3
107.08608	29.9
109.06525	1.8
109.10160	25.7
111.08061	1.5
113.02377	2.6
113.09614	2.0
117.07034	7.7
119.08583	11.4
121.06496	1.8
121.10155	20.5
123.11721	14.2
125.00034	2.2
125.09687	1.6
129.06973	1.5
131.08568	13.2
133.10173	11.1
135.11699	17.6
137.09544	1.4
137.13269	3.8
141.01852	7.3
143.08562	1.9
145.10120	10.8
147.11696	8.7
149.13263	11.6
151.11174	1.4
151.14813	1.8
153.41870	1.4
156.37675	1.3
156.97469	3.1
159.11722	9.5
161.13237	5.6
163.14827	6.5
168.63448	1.2
171.11671	2.0
173.13306	9.6
174.98566	2.1
175.14870	2.7
176.99225	2.7
177.16396	3.7
182.98965	1.4
184.07375	5.6
187.14838	5.1
195.00333	100.0
201.00276	1.4
201.16348	1.5
213.00143	7.1
215.17926	1.5
233.22710	2.8
243.21118	14.4
259.20541	1.6
261.22168	58.6
263.23758	1.4
279.23224	3.8
280.75787	1.3
285.22113	1.7
297.78668	1.3
301.20163	4.5
317.24747	1.9
335.25803	35.9
337.21725	2.1
339.23169	2.5
353.26883	54.7
355.22552	2.3
383.22192	1.5
431.28027	3.2
455.20374	1.8
475.26965	2.2
493.27954	2.5
511.28644	3.8
529.25201	21.6
529.32440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3506
Annotation	Camarinic acid
Peak:m/z	Relative Intensity
55.05494	1.1
57.03432	1.2
67.05510	6.4
69.07060	1.5
71.56808	1.0
71.65171	0.6
79.05481	2.9
81.07057	5.1
91.05472	2.1
93.07031	3.5
95.08595	3.4
96.85973	0.6
97.06541	0.7
105.06991	2.1
107.08558	2.0
109.10168	1.9
117.06996	1.4
119.08549	1.0
121.10135	1.0
131.08565	0.9
133.10106	0.7
135.11670	0.8
138.89082	0.6
149.13327	1.3
161.13115	0.9
195.09953	9.2
196.67438	0.7
203.45464	0.7
207.33893	0.7
251.12444	1.3
324.35605	0.7
335.25693	1.0
357.23901	1.2
454.16663	0.8
526.54565	0.9
529.34912	100.0
530.34906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01873	2.7
55.05512	13.1
57.03444	3.0
57.07058	3.5
58.02665	2.4
65.03957	2.9
67.05512	58.8
69.07075	19.4
69.38110	20.2
70.74046	2.7
77.05843	2.6
79.05491	35.1
81.03455	2.4
81.07063	50.4
83.05005	3.3
83.08620	7.5
87.04488	5.9
91.05476	25.5
93.07044	40.9
95.05004	6.2
95.08605	28.1
97.06548	7.5
97.10229	2.6
98.21520	5.4
105.07051	14.6
105.07681	3.6
107.08607	27.0
109.06558	3.2
109.10182	9.2
111.08157	3.3
111.41366	2.6
117.07047	8.9
119.08616	8.5
120.89500	2.6
121.10145	19.5
122.07155	2.4
124.07460	2.2
124.93752	4.1
131.08617	9.2
133.10165	11.4
135.11723	10.3
143.08690	3.6
145.10146	11.9
147.11707	5.6
149.13284	18.7
157.10091	4.5
159.11688	12.2
161.13318	4.4
171.11723	2.6
173.13332	4.7
195.13828	4.8
198.97441	28.3
256.26465	9.0
261.22263	4.7
511.38501	3.4
529.26385	20.2
529.39044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.6
51.02373	1.2
53.03947	4.5
55.01869	2.0
55.05264	0.9
55.05516	15.0
57.03436	4.7
57.07073	2.2
63.31672	0.6
65.03943	2.7
67.05511	56.0
69.03423	1.0
69.07076	19.0
71.04998	3.2
71.40649	1.0
76.00282	0.6
77.03919	1.1
79.05501	44.2
81.03433	1.5
81.07064	63.5
83.04981	4.5
83.08625	9.9
85.06559	2.9
91.05489	26.8
93.07055	58.6
95.04975	4.2
95.08616	29.2
95.09241	1.0
97.06542	7.1
97.10189	2.9
99.08076	2.0
103.05404	0.8
105.04534	2.3
105.06379	1.2
105.07041	15.7
107.08605	29.0
109.06520	2.3
109.10161	8.9
111.08105	4.7
113.06010	0.6
117.07021	9.8
119.08601	8.5
121.06426	0.6
121.09309	1.4
121.10157	21.9
121.11033	1.1
123.11712	2.2
128.06224	0.7
129.07040	2.2
131.08585	13.5
133.10138	10.5
135.08072	1.2
135.11713	11.8
139.11171	1.2
141.07024	0.6
143.08604	2.2
144.09361	0.8
145.10120	7.1
147.11693	4.8
149.09616	0.7
149.13274	23.3
155.08578	0.8
157.10165	2.5
159.11711	12.2
161.13306	3.0
163.14906	0.8
167.14336	1.4
169.10205	0.7
171.11707	1.5
173.13293	4.9
175.14937	2.0
177.12794	3.6
185.13277	1.9
187.14912	1.3
195.12054	1.1
195.13799	6.2
197.13338	0.9
199.14867	1.1
201.16438	1.0
213.14806	0.8
243.21063	1.5
253.21762	0.8
256.26553	0.8
261.22125	3.8
317.24915	1.1
390.40204	0.7
437.33917	3.5
455.35114	1.4
511.37869	1.5
529.38947	100.0
530.39948	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	2.3
58.99316	1.7
58.99588	15.0
60.04540	1.3
69.03442	0.9
69.36378	7.1
73.01173	0.9
76.02232	71.5
76.04012	5.2
77.77779	0.9
79.41015	1.0
80.05029	1.3
81.07051	0.9
81.34383	0.9
83.04989	1.7
83.06106	5.7
84.04510	28.5
84.08150	1.7
85.01132	4.3
85.02898	1.2
86.00660	26.7
86.06079	2.4
86.99063	5.7
88.02199	1.7
91.05498	1.5
93.07043	2.7
95.06086	1.0
95.59384	1.1
98.20782	2.3
99.02670	2.9
99.05590	2.2
101.00611	52.9
102.03776	5.2
102.05544	3.8
108.04504	1.2
109.07658	4.7
110.06047	1.5
112.11224	1.4
113.00581	1.4
114.00101	2.2
116.01685	26.9
121.06520	2.4
125.05940	1.6
126.03741	6.8
127.02139	4.9
129.06583	5.2
130.05013	9.4
131.00571	1.0
132.01137	2.4
137.09653	1.7
142.03209	6.3
143.02756	43.6
143.04553	2.1
143.48976	1.1
144.01154	12.5
144.04791	10.5
145.06081	1.2
149.05992	2.7
152.01671	4.2
153.06596	1.4
155.08133	6.0
157.13371	2.6
162.02213	41.6
163.11230	1.5
167.07051	40.4
170.02689	4.7
171.02226	7.5
172.04253	1.7
178.08595	1.3
179.04868	100.0
181.06079	2.3
181.12070	1.0
187.05414	3.4
188.03784	3.0
189.03300	98.0
199.07143	1.6
205.12274	2.8
210.05855	2.6
215.04927	2.0
223.13292	11.3
229.06444	8.7
230.04910	3.1
233.05922	17.2
238.05249	1.2
245.05959	2.8
247.07498	18.1
247.09901	1.6
257.07794	1.3
259.07513	1.3
298.14740	12.6
301.08466	12.1
308.09125	49.3
376.11792	29.8
383.16467	6.9
384.14752	3.0
401.17349	12.9
455.18506	7.9
512.21124	1.3
530.21887	19.9
530.29138	1.3
553.85718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63167	2.5
53.03931	5.0
55.05511	17.4
57.03425	8.1
57.07063	2.8
57.76745	2.5
67.05174	5.3
67.05506	71.5
69.07074	19.8
71.04995	30.9
79.05500	35.0
81.07058	100.0
83.04970	4.4
83.08630	17.9
85.06556	11.0
91.05479	32.5
93.07043	50.8
95.05009	4.4
95.08627	18.4
97.06531	11.1
99.08131	4.0
105.07021	11.0
107.08599	30.3
109.06506	3.0
109.10139	8.7
110.03158	2.7
111.08092	5.2
117.07041	10.2
118.06488	5.6
119.08570	3.6
120.20212	2.6
121.06508	3.2
121.10123	17.9
123.11757	14.4
131.08545	11.0
133.10141	19.6
135.11717	8.3
146.05997	9.8
147.11670	3.8
149.13272	27.1
151.11183	6.9
159.11687	11.8
177.12756	3.6
183.13812	4.5
188.07121	10.9
195.00374	3.9
195.13852	8.6
269.17514	42.0
301.20221	22.5
351.13272	6.9
437.22995	3.4
437.29044	82.2
451.30536	15.5
463.30554	86.4
495.33133	48.6
530.38177	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
51.63483	0.2
53.03953	1.6
54.26952	0.2
62.78980	0.2
63.02385	0.4
65.03928	0.2
66.04708	0.5
66.41271	0.2
69.03428	0.8
70.08521	0.4
70.08912	0.4
77.03918	0.8
79.05500	3.1
81.03415	1.3
81.07054	0.6
89.03920	4.0
90.25280	0.2
91.05477	1.7
94.04194	1.2
95.04976	1.5
97.02901	0.6
105.03412	1.6
105.04527	0.5
107.04971	1.6
109.02903	0.2
109.06514	2.0
117.03378	5.3
119.04961	0.3
121.02848	0.4
121.06492	0.6
122.03638	0.8
127.03916	0.4
133.02864	2.3
135.04419	9.9
137.05983	3.8
144.31241	0.2
145.02863	6.0
145.03990	0.5
147.04414	0.4
147.84140	0.2
151.03922	4.1
152.74345	0.2
163.03914	55.9
164.04202	0.4
164.07104	0.3
165.05481	100.0
166.05800	0.4
175.03922	0.7
178.08662	0.4
179.06898	0.2
181.04941	0.9
193.04970	0.7
207.06509	0.6
307.08109	4.6
364.67462	0.2
457.11499	0.6
531.15662	0.4
531.23425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
57.03430	0.6
62.30124	0.6
69.03419	1.0
70.36057	1.9
72.84883	0.6
81.07019	0.6
84.04512	11.1
85.02911	18.6
86.06056	1.3
87.04481	1.0
91.05476	2.1
93.07042	1.8
95.01363	1.3
95.04939	0.6
98.21372	0.7
102.05552	9.3
103.05488	1.3
112.04000	1.8
113.02344	0.9
118.06528	0.7
121.06514	11.2
122.06850	0.8
126.90830	0.5
130.05014	100.0
130.37245	0.5
143.03426	0.7
144.08101	0.7
146.06023	1.7
147.04401	0.6
163.03932	0.9
164.07050	1.5
165.05553	0.9
166.05014	2.0
180.06570	20.0
184.20003	0.6
188.07115	2.3
208.06017	1.0
215.48163	0.6
222.07634	15.4
222.60262	0.5
234.07668	0.5
292.08145	0.7
328.11844	1.9
334.09268	1.1
337.10223	0.8
337.62790	0.5
351.11890	37.6
457.16003	7.2
471.27460	0.6
531.21484	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27599	0.5
56.96557	1.1
69.03413	1.2
69.96719	2.2
70.50153	0.5
71.04991	0.6
72.08173	1.0
74.02425	0.6
85.02899	2.5
91.05453	1.2
93.07022	0.6
97.02892	1.6
98.21254	1.2
98.97594	3.4
110.97553	1.4
115.05457	0.5
116.98640	0.8
117.05801	0.5
117.07025	1.3
118.06550	17.9
121.06477	2.4
127.03904	1.0
128.98651	1.3
130.06514	1.8
132.08096	5.7
137.05963	1.0
142.06525	1.7
143.00143	0.6
143.07286	1.9
144.08089	12.1
145.04965	0.9
146.06017	62.0
147.04410	2.2
158.97398	0.6
159.09174	5.9
160.07579	0.9
163.03888	2.9
165.05473	1.8
165.11162	0.9
170.06000	4.9
170.99689	0.6
188.07074	100.0
195.03268	0.7
205.09731	48.9
211.00528	0.5
213.04314	0.7
219.01804	2.2
237.02658	3.3
255.05449	0.7
287.38452	0.5
337.03696	0.7
339.07462	3.0
355.04913	2.8
357.08640	1.9
373.08124	1.3
471.11725	0.7
531.14221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32862	0.3
53.03941	0.5
56.05026	0.8
57.03434	0.9
58.14934	0.3
67.05503	0.4
69.03425	0.9
70.06609	0.5
71.58661	0.4
79.05504	0.3
81.03413	0.4
84.04510	10.7
84.08151	16.7
85.02912	18.2
86.06062	0.9
86.09705	0.6
87.04465	0.8
91.05500	2.7
93.07053	1.8
95.01351	1.8
95.04970	1.0
97.02888	0.8
101.90944	0.3
102.05549	10.4
103.05463	1.8
105.07026	0.7
105.61473	0.3
107.05017	0.3
107.08595	0.8
109.10178	0.3
112.03987	1.6
113.02440	0.4
117.03391	0.8
119.04924	1.7
121.06519	11.7
121.10149	0.3
123.04462	0.4
127.03944	0.5
130.05013	100.0
130.08656	4.8
135.04419	0.8
135.07999	0.7
137.06009	1.5
145.02875	1.0
146.05974	0.3
146.75465	0.4
147.04422	4.7
151.03969	0.6
151.06343	0.4
152.07074	0.3
163.03929	2.2
164.07138	0.5
165.05484	2.5
166.05003	2.2
175.03873	0.6
177.05522	1.4
180.06570	25.2
181.04947	0.4
201.16130	0.4
203.07068	0.4
207.06577	1.2
208.06090	1.3
222.07628	17.4
249.08781	0.4
286.10825	0.4
292.08234	0.7
306.13110	0.4
309.11041	0.7
328.11890	2.0
334.09177	0.7
337.10370	0.5
351.11884	39.6
351.15671	8.0
457.15771	7.3
531.15491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
56.05021	1.9
57.03430	0.9
65.03926	0.5
67.05502	0.9
69.03433	1.2
70.06592	1.0
71.58015	0.5
84.04040	0.8
84.04509	11.2
84.08147	37.9
85.02908	17.6
85.06536	1.1
86.06072	1.1
86.09690	1.0
87.04482	0.8
91.05487	3.4
93.07049	2.4
95.01328	1.7
95.04972	1.0
97.02888	1.6
102.05544	10.2
103.05489	2.3
105.07015	0.6
107.08585	0.9
112.03969	1.2
117.03436	0.5
119.04954	1.8
121.06512	14.6
127.03941	0.9
130.05008	100.0
130.08647	9.2
133.10175	0.5
135.04431	0.5
135.08038	1.3
137.05960	2.4
145.02866	1.2
147.04398	5.4
148.03862	0.6
149.06050	0.6
151.03879	0.5
161.06029	0.6
163.03900	2.9
165.05493	3.2
166.05026	3.2
167.07092	0.6
175.03925	0.8
175.07593	0.6
177.05490	2.6
180.06563	29.1
182.25345	0.6
207.06491	1.1
208.06030	1.1
222.07620	19.7
237.14911	0.5
245.07986	0.8
252.15292	0.5
264.12524	0.6
286.10797	0.9
292.08017	0.7
309.10803	0.6
328.08267	0.5
328.11938	1.8
334.09219	0.5
350.43686	0.4
351.11856	40.9
351.15634	22.0
401.67502	0.5
457.15515	7.2
531.15637	1.6
531.24103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.63816	0.8
67.05509	1.5
69.07067	1.1
69.08657	0.8
69.53474	0.8
70.69424	0.9
70.69743	1.5
77.03948	1.6
79.05493	1.4
80.30128	1.0
84.60696	0.8
91.05486	9.0
93.07051	12.8
95.04987	2.4
95.08556	0.8
98.21112	1.6
103.05471	11.0
105.04505	1.9
106.06526	1.0
107.08600	1.1
110.24121	0.7
110.53941	0.8
118.06564	14.4
121.06514	98.5
130.06526	2.9
136.93695	0.9
142.06514	2.1
143.07350	2.7
144.08105	9.8
146.06023	41.1
150.05511	5.1
164.07076	12.3
164.08394	1.1
165.05493	0.9
169.05287	1.1
169.07637	2.7
170.06020	3.5
188.07082	46.6
204.06631	0.9
205.08823	1.1
217.08847	0.9
218.09715	1.7
230.09659	1.5
232.07747	1.0
232.09874	1.7
233.10789	1.4
234.09181	1.2
245.10753	1.2
246.09125	1.6
246.11591	1.0
247.08800	1.0
247.12325	2.5
248.10878	0.8
263.08026	1.2
265.09772	3.4
273.10245	1.5
275.11887	1.9
276.10007	1.3
277.09796	1.8
291.11310	14.3
293.12775	2.2
305.12842	4.0
319.10855	2.0
336.11255	1.1
337.11838	100.0
351.13412	32.1
379.12921	46.9
395.95734	0.9
411.15704	2.3
457.17645	64.3
499.18848	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	531.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.00692	0.2
55.05495	0.3
56.05040	3.0
57.07058	0.3
62.41188	0.2
64.30840	0.2
65.03936	0.3
67.05510	2.0
70.06596	0.8
71.04984	0.3
71.57612	0.4
79.05492	0.4
81.07043	0.3
84.04515	0.3
84.08149	100.0
85.02915	0.9
85.06538	2.1
86.09724	1.3
89.03933	0.4
91.05473	1.9
93.07040	2.1
95.05034	0.6
98.06023	0.2
100.07652	0.3
102.09180	0.3
103.05477	1.5
109.55616	0.2
112.07626	0.3
117.03380	0.6
121.06518	10.4
130.05005	1.6
130.08652	27.5
135.04431	0.9
140.63356	0.3
144.13849	0.4
145.02934	0.4
146.06032	1.0
147.04483	0.4
147.06465	0.3
148.03958	0.4
151.03964	0.4
152.07147	0.5
163.03928	3.9
164.07063	1.2
164.78062	0.3
165.05489	7.2
166.04959	1.3
178.08682	0.8
180.06572	22.8
185.09677	0.3
188.07048	0.6
194.08090	0.3
204.06561	0.8
205.46585	0.3
208.06110	0.7
222.07622	10.7
223.07860	0.3
236.63373	0.3
264.12341	1.6
286.10645	0.5
292.12003	0.4
306.13281	2.0
309.14438	2.3
322.41467	0.3
328.11810	0.7
337.13965	0.7
351.15536	63.0
351.47247	0.3
395.01712	0.3
402.15436	0.5
457.19824	8.0
471.21024	1.0
489.22186	0.4
531.23438	2.9
532.21667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24115	0.4
53.03930	0.6
57.03434	2.5
65.03947	0.5
69.03425	0.7
71.01342	0.8
71.58456	0.4
79.05447	0.4
81.03403	0.7
81.07069	0.4
82.89264	0.4
85.02905	46.9
86.09676	0.5
87.04433	0.5
89.03887	0.9
91.05499	2.8
92.05058	0.4
93.07038	3.2
95.04954	0.8
95.08571	0.8
97.02900	1.1
103.03939	1.3
103.05447	2.4
107.07355	2.1
107.08582	0.4
108.08099	1.6
109.02901	0.6
113.02332	1.4
114.37935	0.4
117.03395	1.1
118.48715	0.4
119.04929	0.9
120.04451	1.6
121.06507	19.4
127.03881	0.5
131.03383	5.0
135.04439	2.2
136.04750	0.5
136.07571	1.5
137.04681	0.4
137.05963	1.2
138.05510	0.8
145.02841	1.5
146.06055	1.0
147.04427	5.4
147.11641	0.5
148.03912	4.1
148.04764	0.4
151.06291	1.9
152.07094	4.3
163.03900	10.8
164.04245	5.2
164.07112	1.0
165.05473	2.7
166.04939	8.2
174.05515	0.6
177.05446	0.5
178.04918	0.5
180.06558	75.6
181.04953	0.4
190.05006	2.0
190.13013	0.5
194.08160	1.6
206.04482	1.3
207.13857	0.9
208.06085	1.2
208.14148	0.7
222.07617	10.3
241.50140	0.4
264.05377	0.4
296.07626	3.1
307.08066	0.5
308.11331	0.5
310.09195	33.4
322.54202	0.4
338.08685	3.4
352.10263	100.0
353.10587	0.7
395.09592	0.7
396.15521	0.5
416.13507	1.1
458.14496	15.5
490.16437	0.7
532.18140	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	532.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
57.03441	1.8
61.21122	0.4
69.57584	2.5
71.01370	0.4
71.51665	0.3
85.02907	43.0
91.05493	2.6
92.05023	0.4
93.07064	2.7
94.34726	0.4
95.04975	0.5
103.03947	0.9
103.05482	2.4
107.07354	2.4
108.08130	1.8
113.02343	1.0
120.04462	2.1
121.06507	18.5
131.03398	5.4
136.07576	1.5
137.05986	0.7
138.05489	1.2
148.03935	3.4
151.06279	1.8
152.07060	3.2
162.85603	0.4
164.07082	0.5
166.04999	7.1
180.06561	74.8
190.04980	2.1
194.08139	0.7
208.06075	1.9
222.07620	9.4
266.10330	0.4
286.10263	0.4
292.08084	0.4
296.07675	3.5
310.09207	30.7
318.05237	0.3
338.08710	2.7
352.10260	100.0
353.10370	0.6
378.26294	0.4
412.12338	0.4
416.13309	1.0
429.83292	0.4
446.87436	0.3
453.45920	0.4
458.14487	15.4
482.72455	0.4
490.16986	0.7
532.18176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01887	0.4
57.03445	2.4
61.21175	0.4
70.82623	0.9
71.01372	0.6
73.98458	0.3
81.03393	0.4
85.02908	46.1
91.05487	2.5
92.05022	0.4
93.07052	2.8
95.04944	0.7
98.21249	0.3
103.03963	0.9
103.05466	2.2
107.07352	2.3
108.08125	1.2
113.02376	1.1
118.06542	1.1
119.05014	0.3
119.06876	0.5
120.04456	1.6
120.08113	1.2
121.06510	20.4
122.06865	0.4
131.03412	4.7
136.07597	1.6
138.05507	0.9
146.05997	1.9
147.04404	0.4
147.06320	0.6
148.03912	3.6
151.06264	1.5
152.07074	3.8
163.03853	0.4
164.07033	2.0
165.07402	0.4
166.03705	0.7
166.04993	6.9
178.08708	0.4
180.06564	71.1
184.07356	1.2
188.07086	1.5
189.07433	0.9
190.05000	1.6
194.08086	0.5
208.06067	1.5
213.10506	0.4
222.07613	9.1
250.07306	0.4
292.07889	0.4
296.07639	3.6
297.80157	0.4
310.09225	29.8
324.16223	0.4
338.08640	3.2
352.10263	100.0
353.10535	0.6
416.13278	1.0
458.14413	15.5
490.17117	0.6
532.18091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05508	2.8
56.05109	1.9
57.03440	3.3
67.05487	5.0
69.03431	10.4
69.07071	8.4
70.06596	4.1
71.58999	1.8
72.08154	3.7
73.02919	6.4
73.06556	4.2
79.05525	2.3
81.07064	6.7
85.02906	11.3
87.04471	6.8
91.05482	14.0
92.05044	1.5
93.07051	5.0
95.08631	10.1
97.02923	8.9
97.06551	2.1
97.44778	1.8
105.07047	18.0
107.08596	6.9
109.10165	9.0
115.03938	8.5
119.04980	4.9
119.08598	24.4
120.05273	2.0
121.06475	3.2
121.10122	2.9
123.11716	3.2
133.04961	9.9
133.10143	4.7
137.06001	15.6
138.06360	4.0
146.06033	2.8
146.54927	1.7
147.11719	7.8
148.03925	1.6
150.07663	2.3
152.07053	3.8
161.13290	4.5
162.17749	1.5
166.05042	7.2
180.06570	62.3
203.17946	14.7
222.07646	2.9
263.07755	1.7
277.09366	2.3
280.11899	15.7
290.09863	2.3
292.11832	2.1
294.13379	86.3
322.12842	4.5
335.10315	6.9
336.10559	14.2
336.14395	100.0
344.94104	1.6
360.63123	2.0
458.18146	17.4
472.15854	16.2
532.18152	10.5
532.25995	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	532.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68752	0.3
55.01861	1.1
55.05504	0.8
59.04985	0.5
65.03935	0.5
69.03429	0.5
69.06725	0.4
69.07069	5.2
69.91902	1.3
73.02913	3.6
73.06560	3.2
78.51949	0.3
85.02927	0.4
91.05484	5.3
92.05032	0.5
97.02875	0.4
97.06547	0.6
104.09151	0.3
105.07032	0.7
107.07349	0.8
107.08572	0.3
108.08126	0.7
115.03886	0.4
119.04955	1.8
119.08604	0.3
120.04446	1.0
136.07622	0.5
137.05974	7.2
147.11714	1.0
148.03896	1.9
151.06274	0.9
152.07053	3.8
162.05449	0.3
163.14905	0.6
164.07053	0.9
166.04997	5.0
178.08595	0.6
180.06561	52.1
194.08122	0.5
203.17981	1.2
222.07635	0.8
276.12277	0.3
278.13986	0.5
280.11792	9.5
292.15628	0.3
294.13358	81.7
295.13730	0.4
308.14853	1.0
322.12878	4.6
336.14410	100.0
337.14728	0.8
370.12949	0.3
416.17114	1.7
451.55350	0.3
458.18115	12.9
490.20947	0.7
532.21661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03951	2.3
55.01873	0.8
55.05504	0.6
57.03428	0.4
59.04990	1.3
65.03932	0.6
69.07066	3.1
69.45702	2.5
73.02905	0.7
73.06557	2.6
77.90523	0.4
81.03422	0.4
85.02908	1.0
87.04478	0.8
88.11150	0.3
91.05489	10.6
92.45370	0.4
93.07048	11.6
95.04968	2.0
103.05474	8.5
105.04506	1.2
106.06568	1.0
119.04950	1.3
120.04502	0.5
121.06510	43.8
132.04442	0.7
134.06023	2.1
137.05994	2.1
144.04442	2.2
146.06056	0.7
148.03957	0.4
150.05489	0.4
152.07019	0.8
160.03960	5.5
162.05502	8.5
162.06772	0.6
163.03891	0.5
164.07042	0.5
165.05450	0.8
166.08664	0.7
167.07114	0.6
176.07108	2.6
178.05008	5.7
178.08624	1.2
180.06557	3.6
188.03455	1.1
192.06558	8.6
194.08131	28.7
204.06554	0.7
206.04507	1.0
208.09763	0.7
220.06111	2.9
222.07600	1.0
236.09172	2.5
238.07147	2.0
254.10225	2.2
266.10394	0.6
276.12427	0.5
278.10373	0.8
280.08136	2.4
280.11166	0.4
290.13947	1.3
292.11847	7.1
292.15106	0.6
294.13400	4.8
306.09937	0.7
306.13321	6.7
308.11401	1.6
308.14883	13.5
310.09567	0.5
320.11282	2.0
322.13000	0.4
322.16483	0.4
334.12872	3.2
336.14429	3.6
338.12228	2.6
350.16031	3.1
352.10245	2.0
352.13992	10.0
368.17047	3.6
380.08539	0.5
380.13416	5.8
389.17172	0.4
394.14975	12.2
412.15952	1.0
458.14691	0.5
472.20181	0.5
532.21826	100.0
533.22803	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
52.12523	0.3
53.03946	3.0
55.01870	0.8
55.05508	0.5
57.16275	0.3
69.07081	3.5
69.79769	1.8
70.88193	0.3
73.02919	2.5
73.06555	2.3
79.05496	0.8
81.03421	0.7
82.65195	0.3
84.08138	0.4
86.71660	0.3
91.05489	10.8
91.61092	0.3
93.07053	12.2
95.04972	2.9
103.05478	10.4
105.04519	1.3
106.06560	0.9
107.04943	0.3
112.15648	0.3
120.04450	0.5
121.06515	50.6
122.05996	0.4
132.04460	0.4
134.06046	2.1
137.05983	1.7
144.04448	1.4
147.04514	0.3
151.07562	0.3
152.07103	0.8
160.03947	3.4
162.05524	8.2
166.08646	0.7
174.05531	0.5
176.07080	1.6
178.05011	4.8
180.06560	2.7
188.03436	0.3
192.06581	5.1
194.08147	23.6
204.06526	0.7
206.04559	0.4
208.09572	0.6
220.06001	1.6
222.07867	0.5
236.09222	0.8
238.07021	0.5
254.10231	2.0
266.13806	0.4
274.10739	0.6
276.12283	0.8
280.08224	0.4
290.13855	1.5
292.11792	7.1
294.13495	1.0
302.10178	0.3
306.13376	12.5
308.14932	29.2
318.13339	0.4
320.11365	1.7
322.16479	0.6
334.12894	5.4
336.14478	1.1
338.12381	0.8
350.15979	6.4
352.10544	0.3
352.13910	9.8
368.17096	7.3
380.13489	0.8
394.15009	22.7
394.57870	0.3
412.15851	1.8
429.72995	0.4
482.50827	0.4
514.21014	0.4
532.21826	100.0
533.21918	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45858	0.4
55.05517	0.8
56.05035	1.4
57.03438	0.5
58.06585	1.0
59.07389	0.5
60.08170	17.3
62.64918	0.4
67.05508	2.5
68.05846	0.4
69.03433	0.8
69.07064	1.3
69.60355	2.5
71.04994	0.4
71.07384	7.2
72.76458	0.4
79.05480	1.2
81.03430	0.6
81.07064	3.1
82.07391	0.8
83.08623	0.5
85.02914	1.4
86.09713	44.8
87.00814	0.4
91.05494	2.1
93.07040	1.8
95.08604	4.8
96.08947	1.2
97.02934	0.8
98.98480	3.2
103.05452	0.6
104.10753	100.0
105.07043	1.9
106.06523	0.5
107.08598	0.9
109.06538	0.5
109.10159	1.3
113.09668	2.0
114.10024	0.6
117.07013	1.0
118.06560	4.9
119.06899	1.9
119.08613	1.1
121.06518	5.2
121.10146	0.7
122.06860	0.9
124.67054	0.4
125.00016	25.8
125.42113	0.4
127.03935	0.9
131.08585	1.0
131.81709	0.4
142.06482	0.5
144.08113	3.8
145.08449	1.0
146.06020	15.4
147.06357	6.3
159.11681	0.5
163.01599	0.8
163.11214	0.5
164.07092	4.4
165.07452	1.8
170.06012	0.9
171.06392	0.5
184.07355	76.7
188.07092	14.3
189.07425	8.6
222.07654	0.6
257.18945	0.4
258.10913	0.5
260.02362	0.4
265.25360	0.6
275.20013	0.8
283.26489	0.7
284.26666	0.8
337.11783	0.7
338.12146	1.6
351.13388	3.6
352.13803	9.0
379.12628	0.6
380.13373	1.0
440.28375	0.4
458.18033	5.4
502.34262	0.5
514.29370	5.7
532.30402	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.1
55.05515	3.8
57.03439	16.8
60.04516	1.4
61.02919	4.7
67.05511	7.6
69.03433	40.6
69.07068	10.7
70.59514	3.2
71.01345	1.1
73.02921	24.8
73.06562	2.3
79.05495	5.5
81.03431	3.1
81.07060	28.3
83.08629	2.0
83.26659	1.0
85.02911	34.1
87.04468	16.0
90.79260	1.2
91.05491	12.6
93.07047	10.8
95.04977	2.1
95.08612	21.7
97.02902	37.7
97.06516	1.1
97.10165	1.0
98.20870	1.2
99.04485	1.8
103.05513	1.2
105.07034	33.7
107.08602	17.7
109.02919	2.9
109.10173	18.0
115.03938	41.2
117.07047	1.6
119.04944	1.4
119.08587	27.7
120.04478	1.2
121.06511	1.8
121.10144	14.3
123.11722	7.2
127.03936	7.9
129.05505	1.6
131.08607	5.6
133.04979	30.7
133.10130	12.8
135.11691	9.8
137.05992	6.9
143.08560	2.6
145.04951	8.1
145.10155	3.6
147.06532	1.3
147.11697	35.2
148.03929	1.8
149.13286	3.9
150.07632	6.7
151.06296	2.4
152.07095	3.6
155.08534	2.3
157.10133	1.7
159.11716	4.6
161.13274	9.8
163.06061	3.5
163.14832	54.3
165.12801	5.2
166.05038	4.6
171.11714	1.6
173.13214	1.3
175.14835	6.3
180.06566	48.8
183.11682	1.4
185.13225	1.0
187.14864	2.3
189.16354	1.6
193.04974	1.2
195.11713	1.5
201.16370	5.0
203.17969	74.8
205.19579	3.9
219.17352	1.1
220.20586	1.1
221.19022	23.0
225.16501	1.2
227.18022	1.3
241.07094	2.8
251.18021	1.1
259.08185	3.6
277.09387	1.8
278.13770	1.1
280.11713	9.1
294.13373	75.2
295.10291	2.9
295.19226	1.3
299.20053	1.3
303.49939	1.0
308.14941	1.2
322.12903	4.2
335.22061	2.4
336.14432	100.0
347.22540	1.7
365.23126	2.2
383.24332	1.4
416.16772	2.0
458.18237	14.7
532.31104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.05508	4.3
56.96572	0.6
57.03435	4.5
57.07077	1.0
57.16054	0.7
59.05000	0.6
61.22565	0.7
65.03944	1.5
65.04294	0.6
67.05505	9.3
69.03431	14.7
69.07067	15.1
69.47429	0.6
70.96096	0.7
71.25076	1.6
73.02911	2.4
75.61107	0.6
79.05492	6.0
81.03422	1.0
81.06583	1.5
81.07059	29.6
83.08607	2.1
85.02911	12.6
85.06542	0.9
87.04473	12.4
91.04906	0.7
91.05482	16.4
93.07047	11.0
95.04948	1.8
95.08607	21.6
97.02897	14.8
99.04454	1.0
103.03915	0.9
103.05492	3.5
105.07033	34.5
107.08598	13.6
109.10158	17.0
111.04469	0.6
115.03939	24.6
115.04752	1.3
117.07006	0.8
119.04933	0.8
119.08586	27.7
121.06499	10.1
121.10151	9.1
123.11718	6.8
127.03915	2.3
131.08580	1.9
133.04967	25.9
133.10143	19.9
135.11711	1.9
137.05959	4.6
145.04982	4.4
145.10123	2.8
147.11691	53.9
150.07631	3.3
152.07021	1.1
157.10162	1.0
159.11697	2.2
160.12477	2.5
161.13261	12.2
162.05501	0.9
163.06073	1.6
164.06950	0.9
166.04979	1.3
167.07072	0.7
175.14812	2.0
177.05446	0.9
178.04947	0.7
180.06557	17.5
183.11658	0.7
187.14722	0.9
192.06583	1.1
194.08136	3.9
203.17961	100.0
220.20552	1.2
222.07674	1.1
239.49045	0.6
241.07095	1.4
259.08142	2.6
277.09256	0.9
280.11841	3.2
294.13354	21.8
295.10294	5.0
306.13293	3.8
308.11841	0.9
308.15167	4.7
322.12851	1.3
336.14417	27.3
350.16074	1.3
352.11063	1.3
368.17093	0.8
394.14896	3.2
396.12622	1.0
416.17377	0.9
458.18207	3.8
531.53607	0.8
532.21747	14.4
532.34912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
53.52381	1.0
55.05503	3.0
57.03445	13.6
59.04994	2.6
60.04501	2.0
61.02909	1.2
66.28722	1.3
67.05513	6.6
69.03435	40.4
69.07054	4.9
71.04971	1.5
71.18791	1.9
73.02921	8.7
79.05489	6.5
81.03423	1.9
81.06582	2.1
81.07060	39.0
83.05051	1.2
83.08617	2.1
85.02910	36.3
87.04473	28.7
91.05483	9.7
93.07055	10.0
95.04974	1.4
95.08613	23.4
97.02296	2.2
97.02898	39.2
97.10175	1.2
99.04457	1.2
105.07040	41.1
107.08599	20.3
109.02864	1.9
109.10170	15.8
115.03943	42.8
117.07007	2.1
119.08591	41.9
119.89508	1.0
121.10161	11.0
123.11722	8.2
127.03913	4.9
131.08568	3.1
131.87476	1.1
133.04974	44.7
133.10138	19.9
135.11740	6.2
143.08502	1.4
145.04945	5.3
145.10129	4.3
147.11699	43.9
149.13245	2.9
149.27170	1.3
150.07632	11.2
151.03932	1.0
155.08606	1.6
158.58821	1.1
159.11743	2.5
161.13272	11.9
163.06017	2.3
163.14833	53.8
165.12767	10.0
175.14839	7.4
180.06487	2.2
185.13278	1.1
187.05980	1.3
189.16324	2.0
196.05272	1.0
201.16385	4.8
203.17969	100.0
205.19530	2.1
221.19034	22.5
223.06020	1.4
233.57126	1.1
241.07094	2.9
259.08041	4.4
277.09061	2.0
284.81592	1.0
294.13388	1.5
295.10175	2.8
299.19849	1.5
323.22046	1.4
335.22025	2.4
336.14252	3.5
353.22971	1.7
458.40094	1.1
465.42099	1.1
467.63760	1.2
532.22632	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07579	0.6
50.56624	0.6
53.03942	0.6
55.01844	0.6
55.05508	3.5
57.03440	8.4
57.07062	0.8
59.05003	1.7
60.04517	1.6
61.02921	0.8
65.03922	0.9
67.05231	0.6
67.05514	6.7
67.13092	0.6
69.03436	26.5
69.07066	4.7
70.62605	1.8
73.02908	2.3
75.04482	0.8
76.50650	0.6
79.05501	6.1
81.03424	1.3
81.07063	28.0
83.08628	1.2
85.02435	1.2
85.02912	18.6
87.04475	17.2
91.04968	1.1
91.05483	11.7
93.07052	8.9
95.04955	0.7
95.08614	22.0
97.02898	20.4
97.10141	1.0
98.20711	0.6
99.04436	1.1
99.12967	0.6
100.39817	0.6
105.07036	32.5
107.08602	13.8
109.02903	1.2
109.09469	1.2
109.10165	18.9
111.11710	0.8
115.03938	30.3
116.21749	0.6
117.07009	1.9
119.08591	32.9
120.36452	0.6
121.06493	0.9
121.10148	8.6
123.11726	8.1
127.03903	2.3
131.08557	1.9
133.04973	30.5
133.10138	17.7
135.11729	3.3
137.06073	0.7
145.04980	3.8
145.10130	2.8
147.11697	71.5
149.13376	0.6
150.07600	7.9
157.10080	0.8
159.11671	1.7
160.12529	0.8
161.13261	12.1
163.05931	1.0
163.14824	10.8
165.12823	1.4
169.04982	0.8
171.11746	0.8
175.14854	3.4
180.06606	3.2
193.05058	0.7
199.14951	0.6
201.16422	1.2
203.17969	100.0
205.19518	1.3
219.17551	0.6
221.19054	7.4
241.07141	1.0
245.19020	0.9
259.08084	1.9
277.09302	0.8
292.14148	0.6
294.13397	3.9
295.10068	3.1
317.21082	1.4
335.22137	2.2
336.14453	4.9
360.06805	0.6
365.23016	0.8
390.55933	0.6
443.57498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	10.4
62.81087	8.3
69.32973	78.5
79.05501	13.6
91.05491	19.1
93.07043	12.0
95.08630	12.9
98.28922	10.6
119.08584	13.8
120.48517	9.3
121.10158	10.0
122.84313	8.8
135.11720	9.8
137.06041	10.2
159.46474	8.7
228.40526	9.2
532.32416	16.8
532.39777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.4
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24792	6.0
55.05498	6.3
69.07076	10.1
70.08034	22.9
81.07059	10.9
91.05469	11.6
93.07055	7.9
95.08587	19.5
105.07028	22.4
107.08574	7.6
119.08589	21.1
121.06540	7.6
126.65145	5.4
131.08560	9.3
133.10097	17.1
135.11688	14.2
137.06026	5.8
145.10132	9.0
147.11646	7.2
149.05994	10.5
159.11780	8.4
163.14813	9.4
173.13303	10.6
180.06564	21.5
189.16406	35.2
207.17455	60.7
219.13870	11.6
283.24533	5.7
289.44464	7.4
294.13428	15.1
336.14340	19.0
360.85919	6.2
407.18539	7.1
441.33658	97.4
487.34311	100.0
532.39667	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	533.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
53.61405	0.7
61.59487	0.5
65.03939	1.1
67.17464	0.6
69.03425	2.5
69.99227	2.7
71.04981	0.8
81.03429	3.2
85.02905	2.4
87.00830	1.3
91.05492	10.0
97.02910	4.1
98.20674	0.7
98.21241	1.5
99.04436	1.0
104.10746	2.2
109.02879	6.4
118.05060	0.7
119.04951	22.6
121.06510	2.5
127.03915	4.7
130.71030	0.7
145.06532	0.7
147.04417	100.0
165.05498	7.6
166.05858	1.0
285.11197	1.0
291.08676	1.4
314.83838	0.7
377.08493	0.7
395.09735	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	533.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
64.67881	0.3
65.03926	0.9
67.01857	0.9
69.03429	2.0
69.95026	0.3
70.63013	0.4
70.89545	0.8
70.89878	0.4
71.04993	0.9
81.03426	2.8
85.02895	2.0
87.00842	0.8
91.05487	8.3
97.02895	4.7
98.21238	0.5
99.04446	1.0
103.05477	0.4
109.02886	5.6
109.63573	0.4
119.04951	21.5
121.06516	4.0
122.06866	0.5
127.03915	5.1
145.06511	0.3
147.04416	100.0
165.05487	5.0
165.06827	0.5
169.55663	0.4
213.03928	0.6
229.08627	0.4
231.04807	0.6
285.11221	0.6
291.08633	1.6
306.06360	0.4
377.08417	0.7
395.09753	14.3
395.15051	0.7
457.12610	0.4
533.17944	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
54.78434	0.4
61.02925	0.5
65.03944	0.8
67.01859	0.9
69.03450	2.6
69.03777	0.6
69.07033	0.5
70.06575	0.4
71.04985	1.1
71.57201	0.5
81.03426	3.7
81.07068	0.4
85.02908	4.2
87.00838	1.0
87.04459	0.4
89.36401	0.4
91.05483	8.5
93.07044	0.5
95.04981	0.6
97.02892	5.2
99.04463	1.4
103.05467	0.5
107.08594	0.5
109.02888	6.7
114.29106	0.4
119.04953	21.5
121.06508	4.5
123.08090	0.5
127.03919	6.8
133.10062	0.5
135.08083	1.2
137.05948	2.3
145.04980	0.9
145.10173	0.4
146.06020	1.0
147.04416	100.0
148.04753	0.6
151.07584	0.6
163.03928	1.4
165.05492	5.6
188.07083	0.4
189.07478	0.5
191.14299	2.8
193.15973	0.6
209.15358	0.8
213.03992	0.5
229.08568	0.6
231.06686	0.6
247.09689	0.4
273.07544	0.5
285.11261	0.5
291.08789	1.5
360.92999	0.4
377.08743	0.8
395.09760	14.7
422.82507	0.4
459.05020	0.4
514.19122	0.4
533.19482	0.6
533.26794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.24012	0.8
65.03931	1.0
69.03422	1.0
69.71568	2.3
69.71989	2.9
70.06559	0.8
72.04523	37.4
79.05481	1.0
83.04953	0.8
84.08147	0.8
85.02888	2.5
88.03976	1.5
91.05487	11.6
93.07065	7.0
95.04971	1.9
97.02912	0.8
98.20744	1.0
103.05486	8.0
105.04524	1.1
105.07001	0.9
107.04977	1.0
109.06590	1.0
116.03464	1.1
119.04947	4.4
121.06513	27.4
122.03636	0.8
131.04898	2.4
137.05000	1.2
137.05991	14.6
138.06253	0.9
144.04471	0.9
147.04442	1.7
149.06030	0.9
151.03856	0.9
151.06348	1.2
151.07545	1.2
152.07083	1.8
160.03932	1.4
161.05949	1.8
162.05486	2.1
163.03934	1.5
163.07532	2.7
166.04977	3.9
167.07007	2.0
175.07483	1.5
178.05031	2.4
178.08623	0.8
180.06572	58.3
190.07814	0.8
191.07066	1.1
192.06569	5.3
194.08122	13.8
204.06641	0.9
206.08145	11.8
220.06079	1.3
220.09680	2.5
222.07729	4.7
233.09259	2.3
236.87109	0.8
237.08780	5.2
238.07207	1.4
247.10710	0.9
249.08798	7.2
250.07176	1.3
251.10284	41.2
254.10263	2.2
263.10333	4.8
264.05032	2.2
265.11829	7.9
277.08334	4.1
278.03864	1.3
278.06604	12.5
279.09775	2.3
280.08099	2.5
281.07755	0.8
282.25037	0.9
290.06531	0.8
291.09970	4.3
292.08075	3.7
293.11304	6.7
295.09296	11.4
307.09610	1.3
307.12854	1.9
309.10910	2.6
311.12753	1.2
318.06058	1.7
319.09241	4.5
320.07690	3.7
323.08829	1.9
325.14178	1.1
336.07211	1.1
337.10330	100.0
351.11905	3.8
355.15265	1.1
378.08054	1.1
395.10901	9.2
459.13971	12.9
489.19022	4.1
515.16443	1.8
516.14941	2.7
533.17572	49.9
534.16382	1.2
545.18103	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06968	1.0
53.03936	4.1
55.01863	2.0
64.58588	1.2
65.03953	1.3
69.03419	1.6
70.06603	2.8
71.04989	1.4
71.58483	1.5
72.04522	37.7
81.03394	1.3
84.08150	1.4
85.02913	3.5
88.04001	2.4
91.05492	16.0
93.07053	15.7
95.04986	5.5
97.02886	2.6
103.05481	20.6
105.07027	2.6
107.04926	1.7
107.93667	1.0
108.96681	1.1
116.03419	1.4
119.04961	3.0
121.06519	62.1
122.03696	1.4
131.04955	11.6
133.10149	1.2
135.37492	1.0
137.05995	24.2
139.13046	1.2
147.04422	4.0
151.03967	1.4
160.03954	1.6
161.06007	2.4
162.05524	4.4
163.03926	2.0
163.07550	11.9
166.04985	2.2
167.07074	3.8
175.07538	1.5
176.07065	2.3
177.05478	1.7
178.05031	5.8
178.08624	1.5
180.06572	36.4
187.07477	2.0
188.07040	1.5
191.07063	5.2
192.06544	7.2
193.08617	1.8
194.08145	30.4
204.06578	1.2
205.08536	1.5
206.08197	5.8
215.28319	1.2
217.08623	2.5
220.06055	2.8
220.09631	4.3
222.07710	1.7
233.09294	2.2
235.07523	1.2
236.09018	1.7
237.08798	4.5
238.07066	2.2
246.15021	3.7
246.65118	2.4
247.07715	1.3
247.10690	2.1
249.08708	7.1
251.10281	27.8
254.10242	3.5
262.06058	1.1
263.10324	11.0
264.05109	1.1
265.11884	16.9
272.07214	1.6
277.08353	3.1
278.06656	7.8
279.10001	1.5
280.08154	3.1
289.08157	2.4
290.06638	2.4
291.09760	4.8
292.08084	5.5
293.07956	1.6
293.11392	3.3
295.09299	7.2
307.09402	3.2
307.12885	3.1
309.11011	5.8
319.09192	2.5
320.07520	1.7
323.08759	1.7
323.12451	1.3
325.14063	2.1
334.09192	1.5
335.08875	3.5
336.07254	1.6
337.10342	63.4
351.11795	7.3
369.12842	1.7
377.09653	2.1
378.08087	3.0
395.10883	20.4
418.15140	2.1
422.04492	1.3
459.14069	8.9
489.18732	7.8
515.16547	4.5
516.15063	4.2
533.17621	100.0
534.17358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
57.03437	0.7
61.02917	1.2
63.28045	0.4
66.04701	0.5
67.05508	0.5
69.03429	2.8
70.06593	0.9
70.59222	0.7
71.04982	0.9
73.02919	0.5
78.04720	0.4
79.05495	1.8
81.03425	1.4
81.07049	0.9
83.04959	0.5
85.02920	5.0
86.09727	0.6
87.04492	0.6
91.03970	0.5
91.05495	2.3
93.07073	1.0
94.04189	2.5
95.04954	0.5
97.02869	2.2
99.04448	0.7
100.07623	1.0
103.05486	0.9
105.07019	1.4
107.04963	2.5
107.08589	1.5
109.02882	0.5
109.06511	1.5
115.05473	0.7
117.07053	0.5
119.08585	0.5
121.06512	4.1
121.10152	0.9
122.03671	6.0
123.04454	1.0
124.05189	0.5
127.03944	1.3
128.11855	0.5
129.07019	0.6
131.04961	0.5
131.08640	0.5
132.05667	0.8
133.06516	1.3
133.10146	9.2
135.08047	1.2
137.05991	100.0
137.09587	4.7
138.06296	0.5
141.06975	0.6
143.04948	1.2
144.05748	0.5
145.05020	0.6
147.08012	0.5
149.13301	1.4
151.03932	1.9
151.07552	12.2
151.11206	0.7
158.07259	2.0
159.08081	1.1
160.05247	0.5
160.08893	0.7
161.06006	1.4
163.03883	0.8
165.05482	14.1
165.06857	0.7
165.72281	0.4
167.07047	12.2
171.14926	0.8
173.13277	1.0
174.06773	1.5
175.07574	5.2
175.77991	0.5
177.38423	0.4
187.07564	2.0
189.09082	4.9
191.07054	1.0
191.10664	0.5
191.14320	5.6
193.08688	2.0
199.07582	1.5
205.08629	0.5
209.15350	3.2
217.08621	0.9
219.08214	0.7
219.10089	2.5
233.09714	0.6
247.07515	0.5
249.09207	1.0
261.09134	0.6
278.09384	0.5
281.11746	1.0
289.08456	1.1
309.11273	0.8
321.11230	1.8
326.11591	0.7
341.13885	14.4
353.13849	2.9
359.76083	0.5
371.14893	8.4
483.26971	0.5
503.18915	0.6
533.20154	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	533.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01869	0.5
57.03447	0.4
58.77168	0.3
61.02924	0.6
61.27358	0.3
65.03948	0.3
66.04719	0.4
69.03439	2.3
70.44467	1.2
71.05005	0.4
75.76616	0.3
78.90791	0.3
79.05484	1.3
81.03418	1.0
81.07034	0.7
82.43797	0.3
85.02909	3.0
87.04450	0.4
91.05476	0.8
92.12271	0.3
94.04184	2.8
95.04971	0.4
97.02903	1.5
98.20677	0.4
103.05456	0.3
107.04942	0.6
109.02941	0.4
109.06558	0.4
113.21516	0.3
121.06558	1.8
122.03664	6.4
127.03935	0.5
131.04945	0.6
135.04387	0.4
137.05988	100.0
143.04942	1.3
144.05702	0.5
144.08122	0.5
145.05020	0.5
145.06454	0.7
147.04443	0.7
151.03931	3.4
151.07558	11.4
158.07265	1.4
159.08151	0.4
165.05487	14.8
174.06813	1.6
175.07607	0.4
187.04323	0.3
189.09126	5.9
191.10719	0.4
191.14279	1.0
205.08650	0.9
217.08527	1.5
219.10204	2.5
249.35551	0.4
341.13895	12.1
341.18051	0.7
353.13947	0.4
371.14923	7.7
533.20233	44.2
534.20508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01867	2.4
55.05493	2.1
57.03436	1.5
61.02934	2.3
65.03941	1.4
67.05490	1.5
69.03432	9.2
70.32538	2.5
70.32895	2.7
71.04979	3.5
73.02917	1.3
78.04700	3.8
79.05499	8.4
81.03414	4.7
81.07056	5.0
85.02909	21.9
85.84869	1.1
87.04472	1.5
91.05477	11.5
93.07040	3.2
95.04957	3.0
95.08623	2.5
97.02895	9.7
99.04454	2.4
103.05464	3.5
104.06214	1.3
105.07036	9.7
106.04163	1.3
107.04962	17.4
107.08593	4.7
109.02905	5.2
109.10146	1.8
113.45078	1.1
115.03865	1.2
115.05452	4.3
117.07035	2.7
119.04945	12.2
119.08582	5.3
121.06536	5.6
122.03664	1.8
122.06826	1.2
123.04413	5.2
123.11751	1.7
124.05212	5.1
125.09648	1.6
127.03899	5.5
128.06248	4.1
129.07010	6.3
131.04901	5.3
131.08534	1.1
132.05719	3.5
133.04956	2.5
133.06516	6.9
133.10132	3.1
135.04404	1.2
135.11670	3.3
137.05994	19.0
141.07013	2.1
143.05025	1.3
143.06071	1.8
143.10677	2.9
145.02867	1.1
145.04984	1.4
147.03253	2.1
147.04422	39.5
147.08084	3.1
147.11755	1.8
149.05981	1.4
151.03909	2.8
151.07524	2.2
152.04713	2.8
153.05402	2.5
156.05701	2.1
157.06535	1.8
159.08052	4.1
160.05183	2.1
161.05991	10.4
163.03860	2.2
163.07529	1.8
165.05537	6.2
165.73509	1.0
167.07050	100.0
171.08087	2.7
175.07555	43.2
177.05496	3.4
179.07135	2.0
179.08640	1.2
180.06618	5.5
181.06889	2.4
181.08640	1.2
184.05328	2.3
187.07559	17.6
189.07097	1.8
189.09259	2.4
190.07806	2.8
191.07039	10.5
191.08566	1.8
193.08591	17.2
199.07567	14.9
200.35811	1.1
201.09117	4.1
202.07823	2.1
203.08592	5.2
203.18005	1.8
207.06519	2.4
215.08595	2.3
217.08626	1.5
218.07304	4.1
219.08043	3.4
221.09659	3.9
221.19028	3.3
225.94395	1.2
231.08032	2.8
232.08904	1.6
233.09631	5.0
234.06813	2.5
235.07655	4.0
237.09224	1.4
243.08113	1.7
246.06717	2.8
247.07654	2.7
248.08304	2.2
249.09065	4.4
250.09908	2.1
251.07094	1.4
251.10468	1.3
259.61511	1.2
260.08319	2.0
261.09097	6.8
263.07031	2.7
274.06277	1.6
275.06924	1.2
277.08575	4.1
278.09418	4.1
279.06467	1.2
281.11777	6.2
289.08606	6.8
290.09396	1.4
291.10242	1.7
293.11646	2.3
295.09802	1.7
296.07648	3.5
306.08737	2.0
307.09787	1.8
309.11240	9.4
310.09158	1.7
311.09332	2.1
321.11224	15.6
322.11905	3.6
323.12753	1.7
325.14420	1.9
326.11508	1.7
337.10370	2.1
337.14081	1.7
338.08704	3.2
341.13840	21.7
347.02930	1.1
352.10242	3.3
353.10443	4.0
353.14014	25.3
354.14261	1.3
355.15454	3.6
371.14795	2.1
395.09839	5.6
533.20685	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	533.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21404	0.3
52.39242	0.2
53.03929	0.5
57.03419	0.4
60.12568	0.2
61.02909	0.3
61.41819	0.2
63.57343	0.2
65.03922	0.3
66.04716	0.5
69.03427	2.2
71.41202	0.6
72.08145	0.5
73.02898	0.5
76.56239	0.3
79.05479	1.2
81.03401	0.9
81.07063	0.4
85.02897	2.6
87.98981	0.2
91.05464	0.6
93.07020	0.3
94.04187	2.5
97.02895	0.8
98.21255	0.2
101.95720	0.3
107.04948	0.8
107.06086	0.3
109.06521	0.8
121.06514	1.4
122.03649	6.8
123.50847	0.3
127.03928	0.6
128.11838	1.0
131.04906	0.4
137.05983	100.0
143.04903	1.2
144.05690	0.6
146.06070	0.3
151.03960	1.7
151.07547	11.0
151.11172	0.4
155.07010	0.4
158.07281	1.8
159.08032	0.6
161.06055	0.3
165.05478	13.7
165.12741	0.3
174.06726	1.2
175.07545	0.9
177.09059	0.3
182.08110	0.3
189.09128	5.8
191.10675	0.6
203.07069	0.4
205.08658	1.0
209.15367	2.0
217.08633	1.1
219.10172	2.8
235.37541	0.3
252.97989	0.4
326.11407	0.3
327.12088	0.5
341.13852	12.5
353.09885	0.5
371.10956	0.5
371.14935	7.7
470.78049	0.3
503.19351	0.7
506.91904	0.3
508.65350	0.3
533.20343	45.0
534.20557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01884	2.0
57.03430	1.1
61.02934	1.0
69.03429	6.5
69.73072	3.4
69.73492	1.5
72.04526	1.6
73.02900	1.0
79.05479	2.7
80.89974	0.8
81.03425	2.0
81.07066	1.8
85.02915	10.3
85.58649	0.9
89.03944	1.3
91.05486	6.4
94.04193	3.0
95.04990	1.9
97.02895	5.0
103.05473	38.6
103.06149	2.0
105.03345	0.8
105.07040	8.0
107.04965	3.7
110.83927	0.9
115.05465	3.3
117.07035	1.8
118.04177	2.5
119.04988	4.5
121.06514	3.8
122.03661	7.3
123.04407	1.2
125.06011	1.6
127.03900	1.0
128.06256	1.9
129.07031	1.7
131.04935	50.8
133.06493	8.5
137.05984	100.0
141.07074	1.5
144.05708	1.6
145.06490	1.5
147.04420	2.5
148.05177	4.2
149.06004	3.5
151.03915	9.0
151.07524	9.1
153.06946	0.9
156.05688	5.4
157.06532	1.7
159.08104	2.8
160.05203	1.0
161.05992	8.6
163.07550	71.5
167.07050	9.2
170.07281	2.9
171.08066	1.9
172.05283	0.9
173.06001	2.4
174.06888	1.2
175.07570	3.6
176.04712	2.2
177.05449	1.5
179.07039	5.9
187.07558	7.8
189.09219	1.5
191.07039	36.2
193.08586	6.9
194.08195	1.6
197.08098	1.8
198.06860	1.2
199.07516	2.2
201.09154	2.0
202.06302	1.9
205.08597	9.3
209.08055	1.2
215.07053	2.7
217.08595	18.1
217.10609	1.0
219.08147	1.3
219.10199	1.5
221.09706	1.5
231.07983	1.4
231.10138	9.9
234.06755	1.1
247.09662	2.0
248.08336	2.0
249.09117	2.3
261.08987	1.2
263.10574	1.1
265.11850	1.2
277.08517	1.9
281.12000	1.0
289.08560	1.1
291.10086	2.1
293.11646	1.7
295.09717	1.1
297.83521	1.0
309.11102	2.9
321.11206	3.2
323.12793	2.0
324.13507	1.1
326.11630	1.9
338.11383	0.9
341.13281	3.2
353.13794	6.8
355.15424	14.8
365.14407	0.9
371.14993	3.2
395.10876	1.2
533.17694	6.3
534.19507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01862	3.1
56.44324	1.4
58.35039	1.4
61.02929	1.6
64.22163	1.3
65.03931	1.9
67.05515	1.7
69.03424	7.5
70.06600	1.6
71.03348	1.4
71.03696	2.7
71.04986	1.3
73.02915	1.4
78.04716	2.5
79.05505	6.7
81.03431	3.2
81.07086	1.7
83.73564	1.4
84.08155	2.3
85.02911	13.1
85.06528	1.6
87.04446	1.5
91.05494	9.6
93.07044	1.9
93.61924	1.5
95.04969	2.7
97.02885	6.7
99.04469	1.4
103.05492	4.1
105.07034	7.6
105.89357	1.3
107.04967	17.5
108.02086	1.3
109.02903	2.1
114.01704	1.5
115.05463	4.2
117.06995	2.3
119.04940	1.5
119.08636	2.1
121.06518	8.4
122.03667	3.3
123.04478	7.0
124.05203	3.3
127.03888	1.5
128.06168	2.4
129.07028	4.5
131.04932	4.3
132.05760	1.6
133.06497	6.1
135.04430	4.0
136.05238	4.1
137.05991	30.3
137.09503	1.4
141.05478	1.9
143.04910	2.4
145.06522	1.7
147.04417	6.0
147.08052	2.2
149.06064	2.2
151.03917	100.0
151.05017	8.3
151.07542	45.9
152.04718	2.1
159.08104	2.7
160.05283	1.6
161.05984	9.2
163.03937	3.2
165.05457	9.3
167.07056	68.0
168.05783	1.3
175.07568	34.3
177.05441	3.6
179.07101	2.6
180.06523	5.1
181.05008	2.0
181.06709	1.8
184.05127	1.6
187.07550	12.1
189.07034	1.6
189.09030	1.7
191.07057	8.1
191.14459	2.4
193.08603	15.7
199.07565	8.7
201.09145	2.8
203.06853	1.3
203.08580	3.0
204.06631	1.3
207.08157	1.6
215.08601	2.2
217.08586	2.2
218.07298	3.0
219.08049	1.9
221.09685	2.9
228.60150	1.3
231.07988	2.2
233.09671	3.2
235.07497	2.8
235.09764	1.8
249.09032	5.0
259.07730	1.7
260.08536	1.6
261.09134	6.4
265.08646	2.6
275.10541	1.9
277.08606	5.3
278.09457	2.5
279.06750	1.7
281.11771	6.0
289.08557	7.2
291.10147	3.0
293.08752	1.4
293.11807	3.7
295.09348	3.7
297.11383	2.4
304.10889	1.8
305.08228	2.5
307.09677	1.5
309.11267	6.9
311.09314	1.9
320.10547	3.7
321.11118	10.6
322.11807	1.8
323.12830	1.9
325.14331	1.7
326.11533	2.4
335.12750	11.1
337.10443	7.2
341.13858	21.9
353.13910	30.1
355.15512	3.2
371.10556	3.1
371.14932	44.6
401.24210	1.5
533.19550	8.1
533.28558	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.01865	5.4
55.05518	11.5
55.09331	2.0
59.04980	2.1
67.05501	5.6
69.03421	4.5
69.07072	3.3
70.95937	4.6
70.96278	2.0
71.05003	12.0
79.05505	12.0
81.03406	7.9
81.07053	5.5
83.04954	4.1
83.99204	1.7
85.02898	9.2
91.05494	17.8
93.07037	15.8
95.04970	5.8
97.02872	4.0
97.06527	6.9
99.04430	8.5
101.06036	3.3
103.05440	3.4
105.07037	24.6
107.04945	4.9
107.08572	4.3
109.02896	2.7
115.05423	2.5
117.07024	10.8
119.04941	3.2
119.08571	5.3
121.06516	47.0
125.05979	7.0
127.03899	2.9
128.06285	2.3
129.07025	5.7
130.07782	6.0
131.08575	12.8
133.06516	3.9
133.10132	7.2
133.50412	1.9
135.04391	4.4
135.08107	2.2
137.05957	5.8
143.08562	6.9
144.09332	5.5
145.06516	20.4
145.10136	73.6
146.05933	5.5
147.04425	5.7
147.08018	2.8
147.11629	3.1
154.07767	3.2
155.08575	6.7
157.10159	3.2
158.06059	3.1
158.07268	21.1
159.08057	20.7
159.11710	27.4
163.03914	6.6
163.07581	2.9
169.10124	6.4
171.08043	3.0
172.08841	9.2
173.09636	100.0
179.08505	3.6
182.07272	3.4
185.09665	1.9
187.11203	49.3
188.07111	3.8
189.07431	2.1
191.10736	5.0
197.09639	6.2
205.12250	20.8
213.98143	2.1
215.10704	45.4
233.11752	60.0
234.41656	1.8
287.05341	3.2
325.91885	2.0
377.15881	12.4
395.17038	17.5
494.55872	2.4
533.23431	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05513	0.4
67.05496	1.5
69.03419	2.4
69.07064	0.6
71.04951	0.6
71.58012	0.5
79.05064	0.5
79.05490	2.1
81.03442	3.1
81.07047	1.9
83.04949	0.4
83.97740	0.3
85.02899	2.3
89.03913	4.3
91.05477	2.1
93.07039	1.5
95.04962	0.6
95.08625	0.5
96.88695	0.3
97.02868	1.3
103.05480	0.4
105.07034	1.7
107.04956	3.0
107.08611	4.4
109.02880	1.1
109.06461	0.6
109.10159	1.2
117.02612	0.6
117.03386	6.2
117.07035	0.4
119.04948	0.5
119.08591	1.5
121.06519	2.7
121.10161	1.9
122.07259	1.4
131.08572	0.6
133.10143	16.1
135.04420	13.0
135.08044	1.9
135.11691	0.5
137.05989	10.4
137.09622	10.2
137.10402	0.2
143.08543	0.7
145.02858	10.3
145.04982	0.4
147.04448	0.6
147.11699	0.9
149.13281	1.5
151.03903	1.0
151.07573	0.8
153.05579	0.4
161.05988	0.8
163.03909	100.0
165.05498	1.2
167.07060	3.6
173.13280	1.1
175.07553	1.5
180.06584	1.6
181.04962	4.2
187.07428	0.5
189.09148	0.8
191.07007	0.8
191.14310	8.3
199.07611	0.6
307.08148	3.4
309.11179	0.4
321.11334	0.7
325.09152	6.0
337.10330	1.4
337.14471	0.7
341.13797	2.0
353.10236	0.5
353.13989	0.8
371.14954	0.7
452.08908	0.4
454.38934	0.5
533.19708	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	533.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
54.25682	0.2
55.05503	0.3
57.05841	0.3
61.35329	0.3
64.40605	0.3
64.70316	0.3
65.03965	0.3
67.05486	0.9
69.03438	2.0
69.07069	0.8
70.74838	0.9
71.04974	0.6
72.11465	0.3
79.05496	2.2
80.05169	0.3
81.03426	2.0
81.07069	2.1
83.04991	0.3
85.02914	2.2
89.03410	0.4
89.03919	4.2
91.04982	0.3
91.05472	2.0
91.19704	0.3
93.07037	1.0
95.04980	0.7
95.08622	0.4
97.02883	1.0
103.05460	0.3
105.07047	2.1
106.62282	0.3
107.04964	2.6
107.08589	3.8
109.02860	0.9
109.06524	0.7
109.10173	1.0
115.05436	0.4
117.03395	5.6
117.06965	0.5
119.04932	0.3
119.08588	1.1
121.06525	2.0
121.10144	2.1
122.03643	0.6
122.07278	1.2
127.03855	0.6
131.08562	0.8
132.05751	0.4
133.06522	0.4
133.10138	18.3
135.04425	12.0
135.08026	1.5
137.05983	8.4
137.09630	9.5
137.10445	0.2
137.10706	0.3
145.02853	9.8
145.03957	0.4
145.10101	0.5
147.04391	0.5
149.13260	1.6
151.03949	0.6
151.07520	0.8
161.05992	0.6
163.03912	100.0
163.14790	0.4
165.05531	1.4
167.07043	2.3
170.07356	0.3
173.13257	0.9
175.07574	1.0
177.05539	0.5
179.06961	0.3
179.31140	0.3
180.06557	0.8
181.04976	3.9
186.05530	0.4
187.07562	0.4
191.07018	0.7
191.14317	8.2
193.08624	0.3
199.07588	0.3
209.15411	0.6
276.01944	0.4
277.08136	0.3
294.13531	0.3
295.13788	0.6
307.08121	3.1
321.11365	0.4
325.09174	5.9
337.10574	0.6
341.13837	1.4
353.13849	0.7
371.89545	0.3
423.37946	0.4
434.28796	0.3
483.64771	0.3
486.24362	0.3
533.20062	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	533.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
57.03437	0.4
59.36260	0.4
65.25880	0.3
69.03415	0.5
69.07093	0.5
71.04989	1.0
71.57121	0.4
73.02909	0.7
79.05493	0.8
81.03429	0.7
81.07053	0.8
85.02909	0.7
91.05476	0.9
93.07061	0.8
95.08601	0.7
97.02880	0.4
99.04461	2.1
105.07035	2.7
107.08567	0.6
119.04960	0.6
119.08598	0.4
119.59317	0.3
121.06515	3.3
131.08595	0.5
133.10147	1.7
135.04454	0.4
137.05980	1.3
140.96878	0.4
145.54018	0.4
146.06017	0.7
147.04420	1.9
161.09647	3.1
163.03902	1.4
163.11224	0.6
164.07100	0.4
174.06554	0.4
179.10710	1.3
181.60112	0.4
188.07210	0.5
189.09215	0.5
193.73807	0.4
221.19077	0.5
286.62482	0.3
313.16272	1.6
317.08398	0.9
335.09500	1.8
369.15930	0.4
401.21521	0.7
445.20499	26.8
533.25732	100.0
534.26056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
54.86827	0.8
55.01876	4.1
55.05522	2.4
56.96572	1.4
57.03443	9.0
58.57070	0.9
58.57379	0.8
61.02932	10.2
65.03949	0.9
67.05507	2.9
69.03434	29.5
69.07072	9.0
70.81258	1.6
70.81597	1.1
71.05006	3.6
73.02917	4.5
79.05497	3.4
81.03426	12.0
81.07063	4.0
83.01341	1.1
83.05013	1.7
83.08616	0.8
84.08170	0.8
85.02912	100.0
87.04486	5.5
88.76131	0.8
89.03909	1.1
91.03968	5.5
91.05508	3.2
93.07030	4.2
95.04974	8.2
95.05461	0.8
95.08599	4.2
95.88548	0.9
97.02907	32.6
97.06542	4.5
98.20947	0.9
99.04464	6.6
103.05491	1.2
105.07071	3.3
107.05009	2.1
107.08601	5.7
109.02893	11.1
109.03577	1.0
109.06521	5.7
109.10162	2.0
111.04428	1.8
113.06071	1.0
115.03944	1.3
117.03413	2.0
117.64343	0.9
119.04955	0.9
119.08598	4.1
121.06512	7.7
121.10183	3.8
122.07310	4.4
123.08081	18.1
123.08924	1.2
127.03929	24.8
131.08629	1.0
133.10150	12.8
135.04433	4.6
135.08070	28.9
135.11728	2.4
137.05981	16.4
137.06920	1.1
137.09679	3.8
144.08131	2.4
145.02956	3.6
145.04977	37.7
145.10185	0.9
146.06029	2.2
147.04483	2.6
147.11751	2.6
148.08873	1.2
149.09676	1.7
149.13283	1.8
151.07626	1.9
163.03918	39.4
163.05927	6.3
163.14806	1.4
164.07040	1.0
165.05542	4.0
165.12790	16.2
165.14101	1.0
171.06622	2.8
173.13348	2.7
175.14821	4.1
176.12064	3.5
177.05554	0.9
178.08682	1.1
179.60930	0.8
181.05034	1.7
185.22847	1.0
188.07242	1.5
189.07507	4.3
191.14322	91.0
193.15894	12.8
207.13835	4.0
209.15387	18.0
209.17307	1.1
271.06229	1.0
307.08371	1.4
309.17163	1.6
325.09210	1.3
353.14478	0.8
353.19745	3.5
371.15982	1.5
371.20737	11.1
448.60327	1.0
494.75085	0.9
533.26288	42.5
534.27130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2961
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.05508	7.4
57.03424	11.0
67.05502	8.6
69.03442	31.8
69.07085	9.4
69.52224	10.7
69.52641	18.2
73.02914	14.9
79.05492	12.4
81.07061	44.3
85.02915	35.0
85.06584	4.2
87.04456	13.9
91.05476	14.6
93.07041	16.9
95.04993	7.6
95.08612	34.7
97.02911	32.9
104.12321	3.6
105.07054	37.2
107.04942	5.2
107.08577	16.8
109.02856	6.1
109.10153	29.5
109.84724	3.7
115.03926	32.8
119.08583	43.4
121.06496	13.3
121.10151	45.9
123.11730	18.7
124.41463	3.7
127.03929	11.5
131.04947	6.7
131.08591	7.9
133.04974	32.8
133.10143	19.7
135.11691	13.1
137.05989	56.6
145.04996	7.9
145.10127	7.4
147.11710	46.4
149.13242	14.5
151.03922	4.8
151.07523	10.2
152.17696	3.8
161.05920	5.9
161.13257	13.9
163.05981	4.6
165.05470	7.5
167.07069	21.0
175.07530	9.9
180.06546	18.8
181.06866	12.3
187.14847	5.9
197.21683	4.4
201.05449	8.2
203.17972	100.0
203.55559	4.2
205.19572	32.9
221.18990	32.1
233.05695	4.4
239.20094	9.9
259.08368	6.1
283.38525	4.3
294.13364	13.7
295.10526	6.8
295.13757	20.8
333.14523	4.5
336.14453	20.7
337.11023	6.8
337.14600	32.4
341.13803	10.1
353.10315	11.0
459.18585	5.1
533.20074	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3088
Annotation	WIKSTROELIDE E
Peak:m/z	Relative Intensity
51.59815	0.5
54.95570	0.5
62.76199	0.5
67.05491	1.0
69.33961	2.1
69.34390	2.1
79.05524	0.6
81.07072	1.1
117.06917	0.5
122.30404	0.5
133.10081	0.5
135.11641	0.6
145.10049	0.6
186.85855	0.5
448.97781	0.5
515.37286	0.9
533.30878	100.0
534.31000	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05513	0.4
56.08911	0.3
57.03434	1.6
58.99586	2.3
61.01152	18.9
67.05505	0.4
69.03438	0.4
69.07069	0.9
70.70859	0.7
72.00358	0.7
74.99074	1.8
75.02704	2.3
77.00631	1.4
79.05510	0.6
79.08642	0.3
81.07069	1.8
83.08620	0.7
85.01126	1.5
85.02911	6.1
87.02694	33.3
89.04263	1.1
91.02164	0.6
91.05494	2.0
93.07050	3.0
93.82423	0.3
95.05023	0.5
95.08596	1.4
97.02918	0.6
97.10134	0.3
99.04461	0.5
103.05489	2.3
105.00089	3.7
105.03741	4.4
105.07012	0.8
106.64384	0.3
107.08590	1.0
109.06500	0.3
109.10130	0.8
114.41017	0.3
119.08594	0.8
121.06511	12.2
121.10083	0.3
122.06894	0.4
123.11742	0.5
131.04916	0.5
133.03192	100.0
133.10123	1.1
135.11723	0.6
137.06000	0.7
139.49443	0.3
145.02885	0.2
147.11705	0.5
149.13283	0.5
151.11186	1.7
161.13214	0.4
180.06555	2.4
207.13870	0.3
222.07677	1.1
312.08957	3.6
314.10211	0.4
319.26285	0.9
337.27368	8.8
340.08322	0.8
354.10065	71.0
355.10464	0.4
363.32187	0.3
460.14252	11.9
492.16565	1.5
492.99146	0.3
534.18652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
57.03435	1.6
58.99583	1.8
59.07488	0.3
59.96737	0.5
61.01154	18.3
69.03419	0.4
69.59946	0.9
69.60376	1.0
72.00357	0.6
73.66582	0.3
74.99079	1.5
75.02714	2.2
75.16550	0.3
77.00626	1.3
78.89751	0.3
85.01144	1.2
85.02914	6.2
87.02699	34.2
89.04263	1.1
91.02145	0.8
91.05488	1.5
93.07044	1.9
95.04955	0.6
103.05485	1.5
105.00097	2.9
105.03740	4.3
105.62794	0.3
107.08552	0.3
114.95503	0.3
121.06512	12.3
133.03197	100.0
137.05997	1.4
138.06236	0.3
147.04443	0.8
167.07066	1.1
175.07494	0.3
180.06561	3.1
216.84622	0.3
222.07587	1.1
255.80807	0.3
298.07404	0.3
309.30795	0.3
312.08975	2.9
340.08447	0.6
354.10077	73.1
380.00525	0.3
396.10870	0.3
446.20642	0.3
460.14255	11.2
492.16721	0.7
533.34534	0.3
534.18829	0.8
534.26154	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	534.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
57.03449	0.5
59.05015	1.8
65.03947	2.1
69.89749	1.8
79.05483	0.8
81.07063	0.7
85.74317	0.3
87.04478	2.5
91.05485	28.3
98.20737	0.5
106.06570	1.1
109.06521	1.1
114.10286	0.7
116.05002	0.4
119.04948	13.5
120.04470	0.9
132.04433	1.0
134.06007	2.1
137.05983	26.4
144.04440	1.1
150.05453	0.5
151.06290	0.6
152.07063	1.0
160.03964	4.9
162.05501	8.6
164.07251	0.5
166.08624	0.7
168.07434	0.4
176.07059	2.5
178.05006	5.5
180.06549	2.4
182.77551	0.4
188.03461	0.6
192.06572	8.8
194.08128	30.8
199.34520	0.4
204.06543	0.6
206.04539	1.3
208.09619	0.5
220.06059	3.6
222.07867	0.4
236.09210	2.7
238.07133	2.3
252.08577	0.6
254.10184	2.7
264.08621	0.4
270.78821	0.3
276.12393	0.6
278.10233	5.8
280.08188	1.6
280.11819	1.3
292.11771	9.2
294.13354	16.9
296.07718	3.4
306.09784	1.4
308.15045	0.7
319.07489	0.4
320.11334	4.9
324.10846	0.8
336.14420	5.7
338.08679	3.4
338.12399	8.5
344.76471	0.4
354.15433	3.5
366.11804	2.3
380.13397	18.7
398.14526	1.9
460.12204	0.5
473.19110	0.5
516.18280	0.5
534.19727	100.0
535.20074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03948	2.1
53.32739	0.4
55.01885	0.5
55.05511	0.6
57.03426	0.6
66.29578	0.4
67.05502	0.9
69.03436	2.5
70.06592	0.8
70.73403	0.9
71.04983	0.5
72.04192	0.4
72.04520	4.6
75.04457	0.5
79.05494	5.2
81.03432	3.4
81.07056	1.1
85.02899	1.5
91.05483	7.4
93.07047	24.2
95.04952	1.6
95.08601	0.9
97.02888	1.4
100.11198	0.5
103.05489	3.8
105.04518	0.6
105.07028	2.7
107.04952	0.8
107.08583	4.3
109.02853	1.6
109.06495	0.5
111.08078	0.7
116.50694	0.5
119.04968	0.6
119.08572	1.3
121.06511	14.6
121.10148	19.5
127.03944	0.9
131.08545	1.7
132.04460	5.2
134.05972	0.4
137.05986	3.0
138.06306	0.9
144.04434	0.5
145.04976	0.5
145.51843	0.4
147.04416	0.5
149.09631	9.9
149.31203	0.4
151.03891	0.5
151.07564	0.6
151.72206	0.5
160.03862	1.0
162.05533	0.6
167.06993	0.5
167.10661	1.7
172.03885	0.7
174.05383	0.7
175.12071	0.5
177.05441	0.5
178.04997	55.5
179.05417	0.4
180.06580	6.0
181.06923	2.7
190.05037	0.4
192.06630	0.5
194.08214	0.5
206.04492	100.0
212.54491	0.4
218.04515	1.0
220.06081	0.7
222.07614	0.6
232.06041	1.8
234.07657	4.0
236.05589	0.8
237.08653	0.6
250.07042	3.1
251.10280	3.9
252.08397	3.3
252.11070	2.0
260.05667	0.5
264.04797	0.7
271.30215	0.4
278.06604	2.8
279.07086	0.5
292.80643	0.5
293.13840	3.5
294.09592	2.5
295.09341	0.7
296.07587	2.0
296.11050	0.6
307.52640	0.5
310.09247	0.9
311.14819	1.9
322.09119	0.6
326.12204	0.8
329.81976	0.4
337.10303	5.4
338.10526	7.1
340.10144	0.8
354.11780	0.4
382.11298	6.1
396.12805	0.9
404.76212	0.7
460.14401	1.6
487.58371	0.6
490.17090	1.8
516.11407	0.8
516.18561	8.1
534.19647	24.7
535.20032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13411	0.4
63.39602	0.3
65.03942	2.3
66.90490	0.4
71.04092	0.8
72.04510	1.6
73.04840	0.5
79.05500	0.4
81.07066	0.5
87.04476	24.4
91.05486	29.1
93.07061	0.4
106.06586	0.6
107.04961	0.5
109.06533	1.3
115.85553	0.4
116.05036	0.5
116.78483	0.4
117.05628	0.6
119.04951	12.3
120.69395	0.5
121.06519	1.5
132.04460	0.6
133.61032	0.4
134.06041	1.2
137.05986	27.2
144.04453	1.4
160.03946	7.4
160.05200	0.6
162.05521	4.6
167.07033	2.5
168.07414	0.9
176.06985	2.4
178.05034	4.8
180.06535	3.3
181.06955	2.0
188.03444	1.3
189.79216	0.4
192.06567	15.1
194.08142	25.5
202.04944	0.4
204.06779	0.6
206.04570	1.8
206.08122	0.6
208.09717	1.2
214.27425	0.4
220.06068	8.3
236.09160	3.8
238.07126	3.8
251.10323	1.0
252.08614	1.1
252.10757	1.0
264.08734	2.6
268.11841	1.2
278.07217	0.5
278.10266	7.7
279.06967	0.4
280.08304	4.9
280.11902	6.5
292.08087	0.8
293.11139	0.6
296.09671	0.5
306.09805	3.9
308.07657	0.5
310.09213	1.0
312.10837	0.8
322.12781	2.6
324.10822	7.0
337.10220	3.0
338.10468	4.8
342.14133	0.7
354.15378	1.4
366.11871	22.5
380.13489	2.7
396.09509	0.6
398.14630	1.3
448.16318	0.5
460.14774	0.5
502.17288	0.8
534.19824	100.0
535.20160	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05505	0.3
58.06610	0.5
60.07880	0.4
60.08165	5.7
67.05506	0.8
69.03407	0.4
69.07059	0.5
70.06586	0.3
71.07379	3.2
71.58134	0.3
79.05492	0.5
81.07055	0.7
84.08139	0.3
85.02899	0.6
86.09708	29.9
91.05469	1.0
93.07036	1.0
95.04982	0.2
95.08611	0.7
98.98465	2.3
103.05488	0.3
104.10743	4.2
105.07029	0.4
107.08611	0.4
118.06541	0.3
119.08608	0.3
121.06516	3.3
122.06879	0.5
125.00011	19.6
127.03889	0.3
133.03186	1.0
143.01082	0.3
145.10117	0.3
146.06017	0.5
147.04376	0.5
147.06335	0.4
147.11714	0.4
173.13519	0.3
184.07349	100.0
188.07079	0.4
189.07397	0.4
200.64058	0.2
235.28720	0.2
258.11148	0.3
337.27753	0.3
354.10223	0.6
397.34253	0.2
493.53061	0.2
498.29562	0.6
516.30963	5.7
534.32098	0.5
551.37634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47011	0.2
56.05029	0.5
58.06620	0.5
59.07399	0.2
60.08168	6.2
67.05493	0.6
69.07063	0.2
70.06576	0.2
70.87909	0.2
70.89765	0.2
71.07381	3.2
71.07758	0.3
71.08629	0.2
79.05486	0.3
81.07054	0.5
86.09708	30.0
91.05492	0.4
93.07038	0.5
95.04947	0.2
95.08603	0.5
98.98466	2.6
104.10750	5.9
105.07036	0.3
107.08572	0.3
109.10160	0.2
118.06570	1.8
119.06931	0.9
121.06528	1.2
121.10166	0.4
122.06841	0.6
125.00012	21.4
143.01093	0.2
143.07333	0.2
144.08128	0.9
145.08459	0.5
146.06013	3.4
146.08836	0.2
147.06361	2.5
148.06644	0.8
149.13275	0.3
154.82800	0.2
157.15086	0.2
164.07086	1.1
165.07373	0.6
166.07591	0.4
170.05809	0.2
171.06430	0.3
184.07346	100.0
185.07695	0.2
188.07074	2.6
189.07405	2.9
190.07689	1.7
191.07785	0.3
326.74411	0.2
335.39636	0.2
338.12085	0.3
339.07773	0.2
339.12119	0.4
340.12701	0.2
351.13513	0.3
352.13916	1.2
353.14038	1.2
354.14169	1.4
363.91507	0.2
382.13809	0.2
458.17990	0.3
459.18396	0.4
460.18469	1.0
516.30920	1.3
534.23547	0.3
534.31970	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	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
56.05033	1.4
57.03427	0.3
58.06573	1.5
58.25602	0.3
59.07396	0.5
60.08168	17.6
67.05511	1.4
69.07061	1.0
70.06590	0.3
70.76167	0.5
70.76488	0.4
71.07381	6.8
79.05498	1.6
81.07054	1.7
86.09711	51.7
91.05486	1.5
91.23196	0.3
93.07040	2.3
95.04962	0.3
95.08603	0.8
98.98470	4.3
104.10751	100.0
105.07045	1.5
107.08613	0.6
109.10160	0.3
115.70012	0.3
117.07010	0.4
118.82065	0.3
119.08559	0.7
121.06524	0.4
121.10156	0.4
125.00016	28.4
129.44046	0.3
131.08559	0.4
133.10120	0.4
135.82452	0.3
143.97536	0.3
145.10143	0.4
147.11749	0.5
163.01515	0.6
184.07350	94.0
185.07645	0.4
208.29967	0.3
258.11142	0.8
498.29819	6.3
516.30884	46.5
517.30804	0.4
534.31805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05505	0.3
58.06610	0.5
60.07880	0.4
60.08165	5.7
67.05506	0.8
69.03407	0.4
69.07059	0.5
70.06586	0.3
71.07379	3.2
71.58134	0.3
79.05492	0.5
81.07055	0.7
84.08139	0.3
85.02899	0.6
86.09708	29.9
91.05469	1.0
93.07036	1.0
95.04982	0.2
95.08611	0.7
98.98465	2.3
103.05488	0.3
104.10743	4.2
105.07029	0.4
107.08611	0.4
118.06541	0.3
119.08608	0.3
121.06516	3.3
122.06879	0.5
125.00011	19.6
127.03889	0.3
133.03186	1.0
143.01082	0.3
145.10117	0.3
146.06017	0.5
147.04376	0.5
147.06335	0.4
147.11714	0.4
173.13519	0.3
184.07349	100.0
188.07079	0.4
189.07397	0.4
200.64058	0.2
235.28720	0.2
258.11148	0.3
337.27753	0.3
354.10223	0.6
397.34253	0.2
493.53061	0.2
498.29562	0.6
516.30963	5.7
534.32098	0.5
551.37634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78067	0.3
52.12944	0.4
55.05511	0.5
56.05025	1.3
56.96558	0.4
58.06597	1.7
60.08163	16.6
67.05500	1.4
69.07060	0.7
70.65835	0.7
70.66201	0.8
71.07373	6.6
71.08624	1.2
79.05493	1.4
81.03397	0.6
81.07057	1.9
85.02903	0.6
86.09706	52.5
91.05502	1.3
93.07054	2.3
95.08624	1.6
98.98466	3.9
99.08124	0.7
104.10746	100.0
105.07047	1.0
107.08582	0.9
109.10145	0.5
111.05772	0.4
117.07037	0.6
119.08583	0.9
121.06516	1.3
121.10143	1.0
125.00009	25.5
133.10112	0.9
135.11710	0.5
137.09642	1.0
145.10080	0.5
149.02351	0.8
149.13199	0.4
151.11163	0.5
163.01537	0.6
164.07068	2.2
179.14264	0.8
181.53481	0.4
184.07344	90.1
258.10986	1.0
351.25089	0.7
354.20599	1.1
516.30829	6.5
534.31940	45.0
536.43585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.05515	21.2
57.03437	7.3
57.07073	9.7
60.08166	9.3
61.02926	7.9
67.05173	5.0
67.05512	86.6
69.07077	24.7
69.62830	19.4
71.07346	4.1
71.08634	5.8
79.05497	24.9
81.07066	87.2
83.08621	20.2
85.02924	4.9
85.06521	2.8
86.09722	24.5
88.18585	2.5
91.05493	20.5
93.06551	3.7
93.07057	31.3
95.08610	81.4
97.02878	5.9
97.06555	6.2
97.10191	15.5
98.21432	5.3
99.08078	5.5
99.49977	3.3
104.10090	2.6
104.10754	58.0
105.07048	14.1
107.08615	20.2
109.10176	49.1
111.08102	3.3
113.09670	3.6
117.05463	3.6
119.08609	14.2
121.10137	21.5
123.11733	18.1
124.99994	12.4
127.50544	2.9
131.08633	4.0
133.10138	17.1
135.11693	12.9
137.09703	3.7
137.13216	5.6
145.48900	2.9
147.11664	15.4
149.13249	11.8
151.14801	8.7
155.14288	5.0
158.06490	2.7
161.13283	11.9
163.14832	10.2
165.16457	10.2
175.14844	10.8
179.17940	9.5
184.07367	40.6
184.55589	2.5
189.16385	6.2
217.98354	2.9
245.22668	72.0
263.23721	100.0
264.24057	3.0
337.27386	46.2
355.28760	6.1
407.28055	3.1
534.35468	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	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48602	1.1
53.03954	2.5
55.05294	1.3
55.05510	12.9
57.00803	1.2
57.03440	2.4
57.07077	8.3
58.06580	1.7
59.07345	1.2
60.08163	9.9
61.02916	3.6
62.02811	1.2
65.03920	1.8
67.05505	53.9
69.07067	16.9
69.45268	9.0
71.07362	3.9
71.08617	5.0
73.02897	1.8
75.04460	1.4
79.05493	15.4
81.07059	56.3
83.08624	15.6
84.01250	1.2
85.02898	2.6
85.06549	2.8
85.10173	2.8
86.09219	2.3
86.09708	33.0
91.05488	10.5
93.07045	20.2
95.08610	56.1
97.02886	2.1
97.06528	6.1
97.10155	6.6
98.20810	2.8
98.98464	1.3
99.08096	2.2
104.10746	100.0
105.07022	6.7
107.08102	1.1
107.08614	12.1
109.09465	1.6
109.10161	24.8
111.08054	1.9
111.11702	3.0
113.09645	2.6
119.08568	8.7
121.10145	15.1
123.08087	1.2
123.11697	13.0
124.99998	10.2
125.09608	2.2
133.10133	12.2
135.11713	10.3
137.13239	5.5
139.11211	1.6
141.12743	3.3
147.04332	1.2
147.11765	6.0
149.13261	8.1
151.14842	6.2
155.14308	1.9
161.13300	8.7
163.14792	7.2
165.16385	6.3
167.14365	1.9
175.14828	8.2
177.16316	1.5
179.17932	4.1
184.07347	43.4
189.16376	4.9
245.22658	42.9
263.23694	59.1
265.25052	1.4
337.27380	48.8
354.60992	1.3
355.28455	4.5
475.22287	17.3
499.32373	2.5
516.34473	2.8
534.28754	9.3
534.36572	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	535.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
56.71865	0.4
57.03435	0.8
61.02932	1.0
61.92076	0.4
69.03429	1.8
69.30505	1.0
69.30903	2.5
75.77756	0.4
78.04713	1.2
79.05483	1.8
79.05929	0.4
81.03411	3.0
81.07061	0.5
85.02918	4.3
86.30915	0.4
87.04517	0.4
91.05475	1.9
95.04027	0.5
95.04970	0.8
97.02888	2.4
99.04488	0.5
103.05473	7.1
103.57330	0.4
105.07034	5.3
106.04198	0.9
107.04966	3.3
109.02890	0.8
111.04401	0.7
112.15462	0.4
113.11800	0.4
115.05413	1.9
117.07026	0.8
119.04915	0.6
121.06480	0.9
122.03677	0.7
123.04453	3.5
124.05222	1.0
127.03941	1.1
129.06953	0.5
131.04939	11.4
133.06511	4.6
135.08102	0.6
137.05022	0.7
137.05992	10.2
138.06306	1.9
145.02844	1.6
145.06491	0.7
147.04407	0.8
147.08037	0.5
149.05997	0.7
151.03926	1.7
151.07568	1.2
152.04678	1.0
153.05458	0.5
161.06003	5.2
163.07538	4.9
165.05515	0.6
167.07051	100.0
173.06017	0.9
175.07535	1.4
177.05466	2.8
178.06276	0.9
179.07027	1.0
181.08644	3.4
187.07610	0.5
191.07034	0.5
193.06863	0.9
193.08618	16.3
195.10162	1.3
199.07552	0.6
201.05518	0.5
203.06966	0.7
205.08640	1.8
207.10124	1.0
211.09673	7.6
219.10205	0.6
221.08051	0.6
223.09798	1.0
235.09604	0.9
239.09158	3.6
241.10783	0.7
251.09303	0.8
253.10744	0.6
259.09595	0.7
265.10846	0.5
273.11200	0.5
295.11823	0.9
301.10529	0.7
319.11774	1.0
337.12744	1.2
339.08310	0.4
355.14313	0.5
535.20416	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	536.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01871	0.4
57.03436	1.0
61.02916	0.9
65.03956	0.5
65.33134	0.3
66.50105	0.3
69.03432	4.3
69.91116	1.4
71.04973	0.4
73.02921	1.1
77.03918	0.6
81.03419	1.3
85.02912	5.4
85.72124	0.3
87.04466	0.7
91.05489	7.7
91.63462	0.3
93.07049	10.8
95.04982	1.2
97.02903	1.8
98.21460	0.4
99.04436	1.0
103.05476	7.7
105.04449	0.7
105.07042	0.8
109.02900	1.0
117.05784	1.0
117.07003	0.5
118.06539	1.2
119.04964	0.7
121.06516	100.0
122.06818	0.5
127.03945	1.1
144.04482	3.7
145.04964	0.7
146.06021	7.3
147.04395	2.4
147.23840	0.3
148.04730	2.3
149.05042	0.7
162.05569	2.1
162.09483	0.4
163.07570	0.9
164.07062	0.6
165.05592	0.4
171.08121	0.4
172.03967	2.1
176.07086	8.4
178.08643	24.6
190.05006	1.3
199.70874	0.3
202.09009	1.4
204.06575	9.3
204.08463	0.6
210.11215	0.9
213.79808	0.4
222.07626	37.1
236.09224	2.7
254.10255	3.4
269.24344	0.3
342.13449	1.2
374.16013	59.1
536.21375	15.4
536.29541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
56.96545	0.5
57.03436	6.0
59.05000	1.0
67.05498	1.0
69.03078	0.9
69.03436	15.1
70.06595	0.6
71.04993	1.0
73.02900	0.9
75.04453	0.5
79.05494	1.2
81.03432	1.0
81.07035	1.4
83.04993	3.0
85.02911	13.3
87.04473	10.7
91.05482	2.4
93.07055	1.6
95.04974	1.3
95.08611	2.4
97.02280	1.1
97.02893	14.7
97.06525	1.5
98.20727	1.2
99.04451	1.0
99.08109	0.6
103.05432	0.7
105.07029	1.3
107.08588	1.1
109.06545	2.8
109.10164	1.2
111.04469	0.8
115.03938	17.9
119.04933	0.7
119.08600	1.5
121.06509	1.4
121.10162	4.5
123.08078	100.0
124.08438	0.7
125.09642	0.6
127.03938	1.1
131.04922	0.8
132.05322	0.5
132.62738	0.4
133.04979	16.0
133.10127	1.1
135.11710	0.6
137.05998	4.7
137.09619	0.8
138.06311	1.3
139.03952	0.7
145.04926	1.2
145.10138	0.7
147.11702	1.2
149.09630	4.3
150.07672	0.6
151.03902	2.6
151.07579	1.1
151.11177	8.9
152.04228	1.0
161.13351	0.8
163.03975	0.8
163.11185	2.4
167.07013	0.7
167.10631	2.9
172.12949	0.5
177.05580	1.4
181.12257	9.5
183.06664	0.6
189.12662	1.1
194.08258	0.9
206.04488	0.7
207.13818	8.2
221.08032	0.5
225.14868	57.7
259.08078	1.3
295.10202	1.6
326.11032	0.5
326.15659	0.5
328.12692	0.9
355.11728	0.7
356.12082	2.0
357.19217	0.9
536.20526	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	536.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.2
56.05040	0.7
56.96577	0.2
57.03447	0.1
58.06631	0.7
60.08167	6.5
67.05506	0.8
67.58279	0.1
69.07076	0.2
69.08606	0.1
69.72981	0.1
70.69421	0.4
70.88705	0.1
71.07374	3.1
73.08517	0.1
78.47678	0.1
79.05476	0.2
81.07045	0.5
86.09710	31.3
91.05495	0.2
93.07085	0.3
95.08614	0.3
98.98468	2.7
104.10045	0.2
104.10752	3.1
105.07011	0.2
107.08614	0.1
112.66876	0.1
121.06572	0.2
125.00011	21.2
143.01051	0.2
184.07349	100.0
185.07602	0.2
192.46704	0.1
239.81676	0.1
243.99458	0.2
244.23668	0.1
255.80902	0.1
258.11139	0.2
299.06067	0.2
415.03775	0.2
417.11533	0.1
433.41953	0.1
476.21451	0.2
500.31409	1.0
509.68176	0.1
518.32465	8.2
525.02966	0.1
536.33667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25663	0.4
51.08263	0.4
55.05513	3.5
56.05046	1.1
57.03441	0.6
57.07078	1.0
58.06598	1.4
60.08168	17.2
67.05502	2.2
67.71662	0.5
69.07061	3.3
71.07381	6.4
71.08612	0.5
71.57072	0.8
74.19518	0.4
76.67160	0.4
79.05500	1.4
81.07053	2.6
83.08618	2.9
86.09712	53.3
91.05431	0.6
93.07034	1.6
95.08627	3.6
97.10143	1.3
98.98476	4.3
104.10753	99.5
107.08629	1.0
109.10147	1.9
111.11726	0.6
121.10161	2.2
123.11739	0.9
125.00015	31.5
134.76791	0.5
135.11682	0.8
168.40128	0.6
181.02618	0.7
184.07355	100.0
243.63036	0.5
258.10992	1.0
265.25287	1.7
286.95715	0.5
299.06308	0.9
339.29102	2.0
405.63620	0.5
501.37558	0.6
502.06152	0.5
518.36182	9.1
536.37164	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	536.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	32.0
56.96563	4.7
57.07087	22.2
67.05519	26.3
69.03429	3.4
69.07071	70.6
70.06594	4.3
71.08624	8.7
71.58433	4.1
79.05507	11.1
81.07061	86.0
83.08622	64.6
85.02907	8.1
85.06551	6.6
85.10197	4.4
86.09715	5.9
91.05487	9.9
93.07053	28.4
95.08613	100.0
97.02878	5.0
97.06552	8.2
97.10184	33.3
103.05454	4.7
105.07010	18.2
107.08589	28.3
109.06560	5.2
109.10159	64.5
111.11731	25.6
112.07608	9.9
115.07597	10.4
119.08627	10.8
121.06516	14.3
121.10159	25.5
123.08131	6.2
123.11730	37.7
125.13273	15.1
127.07578	7.7
129.09167	7.8
131.08583	5.0
133.10135	15.1
135.11717	25.6
137.05984	22.9
137.09627	9.1
137.13258	23.1
137.77534	3.2
138.06334	6.0
139.14850	7.5
140.84700	3.7
141.09091	6.5
145.10141	6.8
146.61496	3.1
147.11736	21.4
149.13284	10.4
151.07652	4.5
151.11176	10.3
151.14828	11.4
153.16425	5.0
155.10670	7.9
159.11758	5.1
161.13251	12.5
163.11218	4.0
163.14813	5.1
165.12750	17.5
165.16357	4.5
167.05605	4.5
167.07042	5.0
167.10666	3.9
169.12286	9.2
173.13365	6.0
175.14778	5.9
177.05458	6.5
177.12793	6.6
179.14372	9.7
179.17982	8.9
180.06636	5.7
181.12274	5.8
183.12444	3.7
183.13768	24.3
187.14774	5.5
189.16457	5.5
191.14349	11.6
193.19556	4.1
195.13818	18.8
197.15433	12.5
203.17914	5.2
205.15924	6.0
207.17476	4.3
207.21036	4.8
209.15356	12.6
211.16977	6.6
219.01820	3.9
221.19041	6.1
222.07668	4.6
223.17024	5.4
225.18547	7.8
230.20909	3.2
237.18536	6.7
239.20029	11.2
247.20590	3.7
251.20197	6.2
261.25790	8.1
265.21729	17.9
272.51147	3.3
285.25797	11.3
288.05890	4.4
299.06308	4.7
303.26987	20.5
321.27905	85.1
335.09424	4.3
339.28970	77.6
536.15070	3.9
536.25562	22.4
537.26868	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	536.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05309	3.5
55.05519	39.1
57.07067	15.5
67.05221	4.4
67.05513	49.0
69.03423	8.8
69.07076	48.9
69.38047	35.0
71.04987	5.9
71.08627	10.9
79.05506	22.6
81.03433	9.7
81.07065	57.1
83.08617	39.6
85.02902	7.7
85.10166	7.8
93.07052	28.3
95.08621	57.9
97.02883	5.3
97.06543	11.3
97.10173	33.0
98.20798	9.8
101.21713	4.6
104.10753	11.7
105.07026	7.3
107.08588	24.0
109.02838	4.3
109.10172	23.9
111.08099	6.0
111.11713	11.8
119.08530	4.0
121.10159	41.9
123.11738	9.8
123.96086	4.4
125.09657	6.4
127.03943	7.3
135.11707	35.4
145.04951	5.5
149.13255	16.3
151.14833	4.1
155.23827	4.3
165.16501	5.2
184.07399	9.0
247.24258	33.8
263.23505	5.1
265.25278	100.0
283.26300	19.6
299.06305	7.7
339.28952	71.3
352.53937	4.8
357.30096	31.0
373.27396	13.6
391.28394	17.5
409.29471	21.6
427.30319	9.7
536.32123	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	536.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	25.7
57.03450	7.8
57.07077	21.0
60.08169	5.1
61.02930	9.1
67.05508	47.8
69.06777	3.5
69.07079	42.6
71.08629	7.3
71.59073	3.3
79.05473	13.3
81.07062	42.0
83.08630	37.5
85.02904	5.6
85.10207	4.9
86.09708	11.7
91.05464	7.3
93.07049	25.7
95.08611	44.7
97.06554	8.7
97.10162	30.5
104.10766	24.6
107.08596	18.6
109.10159	30.8
111.08065	5.2
111.11717	8.2
121.10157	36.4
123.11682	6.6
124.99968	7.3
125.09617	8.1
135.11708	32.1
149.13278	9.3
151.14801	6.0
163.14839	6.4
165.94078	4.1
176.36729	3.6
184.07365	28.3
188.87849	4.1
247.24254	45.0
265.25293	95.4
283.26367	17.4
297.52414	3.9
299.06131	10.7
339.28964	100.0
357.29935	25.6
395.02655	5.0
456.39462	4.1
489.88348	4.2
536.37286	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	537.1608
Annotation	Vaccinoside
Peak:m/z	Relative Intensity
53.03942	0.8
53.09523	0.4
55.01865	1.0
57.50447	0.5
62.32045	0.5
65.03958	0.9
69.03425	1.3
81.03428	3.5
85.02900	1.5
91.05487	7.4
93.07055	0.7
95.04959	1.8
97.02885	0.7
102.63824	0.4
103.05457	2.1
105.07064	0.5
107.08521	0.5
109.02882	1.7
117.89986	0.5
119.04956	18.9
121.06516	0.9
122.03636	0.7
123.04437	1.4
127.03965	0.7
131.04939	5.5
131.05856	0.7
137.05992	10.3
145.02834	1.1
147.04419	100.0
147.75612	0.5
148.04695	0.5
149.05940	0.5
151.03935	7.4
151.07567	0.8
153.01796	0.6
161.05956	1.5
163.07584	2.1
165.05507	6.3
175.07539	1.2
177.05482	2.3
187.07620	0.7
191.07164	0.5
193.05020	1.3
199.07660	0.8
211.06000	1.5
217.08560	0.5
277.08716	0.8
287.05542	2.0
288.05759	2.3
289.05963	2.9
291.08618	4.7
307.09814	0.7
309.09659	4.9
347.12747	0.9
349.29105	0.6
365.13940	0.9
377.14233	0.5
429.67130	0.5
448.14929	2.7
501.19507	0.7
519.20306	0.9
537.20172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1969
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
53.03941	2.3
55.01864	2.8
61.02921	1.8
61.52984	0.9
65.03934	2.1
67.05500	1.7
69.03432	6.2
71.58526	1.8
79.05463	1.8
81.03435	9.8
81.07048	1.2
84.83421	1.1
85.02917	12.5
87.04458	1.8
89.03913	1.3
90.17508	1.1
91.05491	6.8
92.05863	1.1
93.03407	2.0
95.04977	1.0
97.02894	5.3
101.87281	1.4
103.05471	3.1
107.04961	1.3
108.02077	1.7
109.06516	3.0
115.03932	1.5
115.05440	2.7
117.06989	2.9
119.04948	4.2
121.06493	1.8
122.03679	6.6
123.04439	1.3
125.06001	2.0
127.03898	1.9
128.06241	3.9
129.07005	11.4
131.04932	4.7
133.02805	1.3
135.04337	1.6
136.84729	1.1
137.05984	100.0
138.06329	1.4
143.04892	3.3
144.05725	1.4
145.02850	1.3
145.04919	1.6
145.06468	2.9
147.04379	5.3
147.08037	2.7
149.05968	2.4
151.03920	92.3
151.05014	6.1
151.07491	2.6
153.05461	4.5
157.06529	11.7
159.04358	1.6
159.08032	1.5
160.05208	1.6
161.05988	6.6
161.09575	1.5
163.03914	2.2
163.07539	3.4
165.05469	4.0
165.12825	1.9
166.13106	1.2
167.07068	2.3
171.04413	3.9
172.05217	1.5
174.06802	3.1
175.07503	7.2
177.05487	2.5
179.06985	2.3
183.06569	1.8
187.07626	6.9
188.04750	1.3
189.09122	16.6
191.07050	9.0
199.07507	2.7
203.07047	33.5
205.06702	1.8
205.08600	10.2
207.06554	2.6
207.13846	2.0
208.14296	2.0
211.07515	2.4
219.08012	2.5
221.08092	5.7
229.08601	1.5
233.08064	14.6
247.07478	3.8
251.06993	1.2
253.08559	1.2
259.07312	1.3
259.09708	1.3
261.09158	2.3
264.07962	1.8
265.08725	2.6
267.10187	1.4
272.08096	1.1
275.10660	1.2
277.08694	3.3
279.10214	3.8
281.69287	1.1
286.08362	3.2
289.08673	1.7
291.10202	2.2
295.09686	2.7
296.10431	1.5
297.11078	2.1
303.10220	2.0
305.08072	1.3
306.08899	1.2
307.09665	6.7
309.11142	3.7
311.12939	1.8
315.09967	1.7
320.10376	1.7
321.11234	7.4
323.12643	1.8
327.12189	9.7
332.10413	1.9
335.12729	5.2
339.12250	14.3
341.13712	1.8
345.13306	3.1
347.12985	7.4
351.82947	1.1
357.13315	29.8
359.14713	3.0
365.13882	9.8
375.14444	14.9
395.15063	1.7
448.15314	1.8
451.16190	1.2
471.18573	1.3
489.19278	2.5
501.19122	2.8
519.20160	10.6
537.20880	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	537.1965
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
51.02393	0.6
52.92105	0.6
53.03927	1.3
55.01865	3.5
57.03426	1.4
60.62580	0.7
61.02911	1.5
65.03942	1.5
67.05491	1.3
69.03435	6.1
70.68116	1.5
73.02917	1.4
79.05507	1.4
81.03428	4.8
81.07072	1.2
84.08141	0.8
85.02905	9.2
87.04453	1.0
91.05482	4.3
94.04176	2.8
95.04950	1.3
97.02903	4.4
97.43383	0.6
99.04434	0.9
103.05466	1.6
105.07026	1.3
107.04955	1.9
107.08595	0.8
108.02069	0.9
109.02853	1.0
109.06541	1.3
111.04435	0.8
115.05474	0.7
117.03387	0.9
119.04956	3.3
122.03667	4.8
125.05943	0.8
127.03919	1.7
129.06956	2.1
131.04935	4.8
133.02791	0.9
133.06514	1.1
135.08044	0.7
137.05978	100.0
138.06296	0.7
141.05434	1.4
143.04953	1.1
145.02873	1.1
145.04942	1.2
145.06508	1.2
147.04378	3.6
149.05933	0.8
151.03914	50.0
151.05032	4.8
153.05467	1.4
155.05008	0.7
157.06488	1.7
161.05966	3.3
162.06357	1.3
163.03766	0.8
163.07542	2.5
165.05466	3.3
167.07001	1.7
171.04465	3.7
175.07549	1.8
176.04390	0.6
177.05501	2.1
178.05846	0.7
179.07056	4.5
181.04947	0.7
187.07524	1.8
189.09079	2.1
191.07005	1.5
191.08572	0.8
193.08588	1.6
201.05505	1.8
203.07068	4.3
205.08597	5.0
207.08101	0.8
217.08617	0.8
219.08054	2.4
221.08101	2.6
231.08038	0.7
233.08083	3.4
246.06790	0.8
247.07558	2.0
249.09088	0.8
261.09103	1.6
262.06497	0.8
265.08688	1.6
275.06958	1.0
277.08636	1.3
279.10226	2.3
289.08588	1.4
295.09634	0.7
297.11240	2.4
307.09650	4.7
308.10321	0.7
309.11237	2.5
311.12781	1.9
321.11227	5.8
326.03137	0.7
327.12204	9.5
339.12292	14.4
341.13757	1.5
345.13290	1.4
357.13339	18.6
357.17535	1.6
375.14505	3.2
501.17902	0.6
519.18945	3.1
537.19604	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	537.1966
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
50.81938	0.5
52.10021	0.4
53.03923	1.3
55.01843	1.4
59.04995	0.4
62.59954	0.5
65.03904	1.9
67.05487	1.1
69.03416	1.1
69.69894	2.1
69.70309	0.7
76.02206	0.9
79.05469	1.2
81.03419	45.5
81.07021	0.8
85.02900	3.2
91.05480	3.4
92.05830	0.7
93.03378	1.0
94.04167	2.1
95.04961	1.1
97.02875	1.1
103.05440	1.0
107.04951	1.2
108.02061	1.2
109.02872	0.6
109.06497	2.2
111.04451	0.9
115.05440	2.6
117.03378	0.8
117.07008	1.0
119.04945	1.2
122.03632	5.3
123.04468	0.6
125.05988	1.5
127.03922	1.3
128.06213	2.1
129.07010	9.5
131.04930	2.1
135.04449	1.1
137.05980	100.0
138.06337	0.8
141.05431	1.5
143.04933	3.4
143.65289	0.5
145.02853	0.9
145.06461	3.2
147.08061	2.1
148.03903	1.6
149.05983	1.0
151.03914	89.0
151.05005	6.2
153.05490	2.3
155.04927	0.9
157.06491	13.2
160.05273	1.2
161.05991	2.2
161.09665	1.8
163.07571	0.9
165.05489	3.7
167.07057	1.2
171.04402	5.0
172.03957	1.1
173.06001	1.3
174.06747	1.3
175.07556	5.4
176.04747	0.7
177.05544	1.7
177.09172	1.3
181.05048	0.6
183.04431	0.6
187.07579	2.5
188.04716	1.1
189.05482	3.4
189.09111	8.3
191.07002	6.4
191.08545	0.8
201.05431	0.7
203.07037	22.6
204.06651	1.7
205.08607	33.3
215.06967	2.7
219.08124	1.7
221.08070	4.3
231.08215	0.5
233.08083	17.6
234.07025	0.8
235.07686	1.6
240.08038	0.6
242.48032	0.5
243.06601	2.0
247.07674	1.4
251.09106	3.4
261.09232	1.9
263.07199	1.4
264.07944	0.8
265.08536	0.6
267.10199	1.2
271.06134	2.0
275.07266	0.6
277.08807	1.2
279.07199	0.6
279.10239	2.2
279.79907	0.6
285.07767	1.6
286.08319	8.9
289.08649	0.7
293.08252	0.6
294.10013	0.5
295.09927	1.8
296.10635	1.2
297.11353	0.7
301.11877	0.5
306.08969	1.4
307.09753	2.4
308.10101	0.5
309.11407	0.6
311.12991	1.3
312.10040	0.8
321.11166	4.4
324.10211	0.6
327.12317	8.2
335.12961	0.6
339.12302	9.2
343.12860	0.7
345.13455	1.5
347.13126	0.9
357.13342	36.4
365.14056	0.9
366.88611	0.6
375.14413	20.8
383.11307	0.7
519.19598	0.6
537.18793	4.2
547.32318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
62.89165	0.8
65.03933	1.3
69.03407	1.0
71.24277	1.5
71.24603	0.9
79.05495	2.6
81.03399	1.3
81.07023	2.0
83.92422	0.8
85.02897	0.9
85.06502	0.8
87.13002	0.9
89.03905	1.3
91.05483	8.7
93.07034	1.8
94.04169	3.3
95.04961	2.3
95.08626	1.2
97.02893	0.9
103.05470	4.4
105.07034	9.3
107.04974	3.7
109.06491	2.5
115.05417	4.2
117.03353	1.1
117.06998	1.9
118.04184	1.1
119.04977	5.5
119.08570	2.3
121.06492	3.1
122.03662	8.6
128.06232	2.3
129.06995	2.4
131.04939	7.3
132.05667	1.5
133.02853	1.4
133.06497	7.3
135.04437	1.9
137.05983	100.0
144.05721	2.0
145.02852	2.0
145.06482	1.2
147.04437	8.1
147.08064	2.3
149.05983	5.1
149.09569	0.9
151.03917	15.8
151.05083	0.7
151.07536	2.5
155.04897	1.8
157.06398	1.1
157.76323	0.8
159.04404	0.9
159.08080	4.0
160.05261	1.2
161.05983	17.4
163.07516	3.0
165.05574	1.0
165.06949	1.6
167.07065	3.7
168.05774	0.8
169.05009	1.5
171.08012	1.6
172.05200	4.2
175.07555	20.8
177.05515	5.2
178.05957	1.1
178.07800	2.1
178.44452	0.8
179.07028	2.3
181.06422	1.1
184.05211	2.0
185.05983	1.5
187.07558	16.3
189.05470	2.3
189.07025	2.1
189.09036	1.6
190.07814	4.8
191.06979	2.0
191.08513	7.8
193.06560	1.2
199.07587	9.4
202.07732	5.4
203.06944	1.1
203.08565	6.9
205.06596	1.3
206.07228	1.8
207.08090	1.9
208.08820	1.1
211.07549	1.0
215.08560	4.8
216.07848	1.9
217.06578	1.8
217.08542	1.5
218.07233	6.6
219.08052	11.3
220.08797	3.2
221.05998	1.5
221.09583	3.7
222.06721	1.5
222.10477	0.9
230.07329	1.1
231.08054	6.1
232.08826	3.0
233.09695	5.3
234.06755	2.0
235.07539	3.9
236.08244	1.9
237.09135	1.5
245.05714	1.0
246.06758	3.1
247.07582	5.4
248.08331	3.4
249.09082	6.8
250.09895	2.3
251.10693	13.6
253.08609	1.6
259.07553	3.7
260.08441	2.5
261.09152	8.5
262.09882	1.3
263.07080	2.2
263.10745	2.8
264.07886	1.1
265.08600	3.4
265.12253	0.9
275.06995	1.8
276.07941	1.5
277.08627	6.5
278.09396	4.0
279.10153	10.6
280.10718	1.1
281.08060	2.0
281.11273	1.1
283.09644	1.0
285.11325	1.3
289.08612	6.3
290.09412	1.2
291.10172	7.1
292.10938	2.0
293.11649	6.8
295.09052	0.9
295.12790	0.9
296.10388	0.9
297.11227	2.8
307.09579	2.0
309.07730	1.7
309.11240	26.6
311.12793	20.8
313.09152	1.0
315.12323	1.1
321.11209	24.4
323.12848	7.2
335.12769	1.6
347.12830	1.5
357.13266	0.9
365.13675	1.8
432.96732	0.8
448.14975	1.9
501.19171	1.0
519.19391	1.4
537.21411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92405	0.9
53.03946	1.0
55.01866	2.2
55.05499	1.1
56.44782	0.8
57.99416	0.8
65.03944	1.1
67.05487	1.1
68.97584	0.9
70.45110	1.0
70.45458	3.1
79.05483	3.4
81.03423	1.4
81.07046	2.6
85.02882	1.0
89.03919	1.0
91.05489	9.3
92.41570	1.0
94.04166	2.4
95.04959	2.7
97.06500	0.9
98.21187	1.3
103.05474	9.8
105.07033	10.7
107.04945	5.2
107.08602	1.0
109.06509	2.1
115.05481	4.7
117.03368	2.8
117.07036	2.3
119.04937	8.0
119.08580	2.3
121.06495	2.4
122.03661	7.9
123.04498	1.0
128.06213	2.9
129.07007	2.7
131.04926	15.2
132.05731	2.1
133.02873	1.1
133.06514	7.2
135.04434	2.3
137.05984	100.0
141.06955	1.4
144.05681	2.1
145.02884	6.6
145.06517	2.5
147.04411	9.7
147.08037	2.8
149.06012	4.8
151.03914	4.0
151.07518	2.7
156.05641	1.8
157.06445	1.3
159.04347	1.0
159.08037	4.2
160.05232	2.3
161.05995	17.4
161.09647	1.0
162.06761	1.1
163.07516	5.7
165.07019	1.7
167.07053	3.7
168.05754	1.2
171.04387	1.3
171.08026	1.2
172.05191	4.5
173.06020	1.1
175.07538	18.5
177.05484	14.4
178.07813	2.8
179.07022	3.2
179.08488	1.5
181.06435	1.2
184.05284	1.4
187.07562	17.9
189.05466	1.5
189.06999	2.3
189.09038	1.5
190.07767	5.8
191.07050	2.0
191.08563	8.0
193.10037	1.4
194.07199	1.2
199.07553	9.7
202.07822	3.7
203.08572	8.5
204.09343	1.7
205.06555	2.3
205.08426	1.2
205.10175	1.3
206.07286	1.4
207.08147	1.6
215.08598	3.9
216.07767	1.5
217.06508	1.1
217.08475	1.6
218.07257	7.6
219.08044	14.6
220.08707	4.7
221.06087	2.1
221.09641	4.1
225.09099	1.5
231.08057	9.3
232.08827	2.8
233.09642	6.5
234.06746	2.7
235.07588	5.6
236.08330	2.8
237.09155	1.1
243.08003	1.7
245.06042	2.0
245.09657	1.5
246.06779	3.7
247.07552	7.5
248.08400	3.6
249.09093	7.8
250.09851	2.9
251.06949	1.6
251.10716	11.2
253.08621	2.6
259.07605	3.2
260.08359	1.8
261.09070	11.0
263.07098	2.0
263.10660	3.9
264.07733	2.1
265.08588	3.5
265.11819	0.9
274.06223	1.4
275.07040	1.3
275.10764	1.4
276.07797	2.4
277.08694	7.4
278.09244	5.7
279.10132	10.5
281.08127	2.0
281.11798	2.7
283.09726	1.3
285.11270	2.1
289.08621	7.0
290.09323	1.5
291.10178	7.4
292.10999	2.0
293.08896	1.2
293.11700	7.3
294.08774	1.1
297.11246	3.3
306.08905	1.3
306.12509	1.2
307.09579	1.6
308.10464	1.1
309.11234	41.5
311.09180	1.4
311.12744	18.6
315.12399	1.1
321.11258	30.3
323.12775	7.9
335.12732	2.0
339.12445	1.6
357.13132	1.6
448.15591	1.2
519.20032	1.4
537.18762	1.3
537.29156	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	1.4
55.01880	1.7
57.20778	1.0
57.74868	1.1
67.05524	1.1
69.03432	3.3
69.22799	12.5
70.06593	1.5
79.05488	1.8
81.03431	3.5
81.07064	2.0
85.02944	2.3
85.06564	2.3
91.05488	7.7
93.07047	1.2
94.04213	3.9
98.20657	2.1
103.05492	7.0
105.07043	2.9
107.04958	2.6
109.06552	3.5
115.05445	2.2
117.07060	1.2
119.04967	4.7
121.06474	1.5
122.03653	7.5
123.08087	1.2
125.05985	1.8
128.06245	2.3
129.07007	4.0
131.04950	11.7
133.02901	2.4
135.04478	1.7
137.05991	100.0
147.04460	3.2
149.05948	2.9
151.03926	26.3
151.05086	2.8
151.07570	5.5
153.05484	3.0
157.06528	4.1
159.08081	1.4
160.05235	1.7
161.06007	10.0
163.03955	4.1
163.07581	9.0
167.07033	3.2
172.05251	2.5
174.06760	1.4
175.07600	7.1
177.05524	2.7
179.07047	4.0
181.04976	1.5
183.06560	3.6
184.05173	2.0
187.06111	1.4
187.07504	8.2
189.07080	1.1
189.09111	4.3
191.07057	3.3
191.08656	1.6
198.06715	1.6
199.07565	7.6
201.09146	1.5
202.07819	1.5
203.07060	6.4
205.08612	1.9
206.07185	1.3
211.07623	4.3
213.09244	3.1
215.06918	1.8
217.08664	1.7
219.08157	2.9
221.09843	1.6
226.06245	1.3
229.08623	1.9
231.08034	2.5
232.09012	1.6
233.08038	2.8
235.07652	2.0
241.08704	2.6
243.08041	2.0
244.08859	1.3
245.09772	2.5
246.06714	2.0
247.07574	2.0
249.09169	3.3
251.10681	1.4
253.08710	1.7
259.07492	2.4
260.08316	1.5
261.09186	4.8
263.10712	1.6
264.07782	1.9
265.08575	1.6
271.07333	1.6
271.09857	2.1
272.08289	2.7
273.09048	1.5
275.10648	3.8
277.08594	4.0
278.09296	1.9
279.10159	2.3
281.11588	1.9
284.08237	1.3
287.10684	2.9
289.08566	4.7
290.09476	1.5
291.10132	2.4
293.11642	1.7
295.09848	2.2
297.11288	2.4
300.07874	1.7
303.10184	5.0
304.10904	2.3
305.08170	2.9
307.09683	4.5
309.11371	7.1
311.12775	3.3
315.09729	5.9
317.08124	1.8
319.09497	1.5
320.10474	3.5
321.11316	7.5
323.12769	6.2
325.10968	1.6
327.12396	1.7
332.10483	6.8
333.11414	2.8
335.12918	15.4
339.12329	5.3
347.12775	20.3
357.13373	5.1
365.13898	27.9
375.14197	3.4
377.13828	4.2
383.14740	1.6
395.14984	4.6
448.14944	3.7
449.16019	2.0
451.15359	1.7
461.16086	2.0
471.17865	3.6
483.18307	2.9
489.19092	6.9
501.19052	8.3
519.20215	29.6
537.20630	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	537.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	1.4
55.01880	1.7
57.20778	1.0
57.74868	1.1
67.05524	1.1
69.03432	3.3
69.22799	12.5
70.06593	1.5
79.05488	1.8
81.03431	3.5
81.07064	2.0
85.02944	2.3
85.06564	2.3
91.05488	7.7
93.07047	1.2
94.04213	3.9
98.20657	2.1
103.05492	7.0
105.07043	2.9
107.04958	2.6
109.06552	3.5
115.05445	2.2
117.07060	1.2
119.04967	4.7
121.06474	1.5
122.03653	7.5
123.08087	1.2
125.05985	1.8
128.06245	2.3
129.07007	4.0
131.04950	11.7
133.02901	2.4
135.04478	1.7
137.05991	100.0
147.04460	3.2
149.05948	2.9
151.03926	26.3
151.05086	2.8
151.07570	5.5
153.05484	3.0
157.06528	4.1
159.08081	1.4
160.05235	1.7
161.06007	10.0
163.03955	4.1
163.07581	9.0
167.07033	3.2
172.05251	2.5
174.06760	1.4
175.07600	7.1
177.05524	2.7
179.07047	4.0
181.04976	1.5
183.06560	3.6
184.05173	2.0
187.06111	1.4
187.07504	8.2
189.07080	1.1
189.09111	4.3
191.07057	3.3
191.08656	1.6
198.06715	1.6
199.07565	7.6
201.09146	1.5
202.07819	1.5
203.07060	6.4
205.08612	1.9
206.07185	1.3
211.07623	4.3
213.09244	3.1
215.06918	1.8
217.08664	1.7
219.08157	2.9
221.09843	1.6
226.06245	1.3
229.08623	1.9
231.08034	2.5
232.09012	1.6
233.08038	2.8
235.07652	2.0
241.08704	2.6
243.08041	2.0
244.08859	1.3
245.09772	2.5
246.06714	2.0
247.07574	2.0
249.09169	3.3
251.10681	1.4
253.08710	1.7
259.07492	2.4
260.08316	1.5
261.09186	4.8
263.10712	1.6
264.07782	1.9
265.08575	1.6
271.07333	1.6
271.09857	2.1
272.08289	2.7
273.09048	1.5
275.10648	3.8
277.08594	4.0
278.09296	1.9
279.10159	2.3
281.11588	1.9
284.08237	1.3
287.10684	2.9
289.08566	4.7
290.09476	1.5
291.10132	2.4
293.11642	1.7
295.09848	2.2
297.11288	2.4
300.07874	1.7
303.10184	5.0
304.10904	2.3
305.08170	2.9
307.09683	4.5
309.11371	7.1
311.12775	3.3
315.09729	5.9
317.08124	1.8
319.09497	1.5
320.10474	3.5
321.11316	7.5
323.12769	6.2
325.10968	1.6
327.12396	1.7
332.10483	6.8
333.11414	2.8
335.12918	15.4
339.12329	5.3
347.12775	20.3
357.13373	5.1
365.13898	27.9
375.14197	3.4
377.13828	4.2
383.14740	1.6
395.14984	4.6
448.14944	3.7
449.16019	2.0
451.15359	1.7
461.16086	2.0
471.17865	3.6
483.18307	2.9
489.19092	6.9
501.19052	8.3
519.20215	29.6
537.20630	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	537.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	1.4
55.01880	1.7
57.20778	1.0
57.74868	1.1
67.05524	1.1
69.03432	3.3
69.22799	12.5
70.06593	1.5
79.05488	1.8
81.03431	3.5
81.07064	2.0
85.02944	2.3
85.06564	2.3
91.05488	7.7
93.07047	1.2
94.04213	3.9
98.20657	2.1
103.05492	7.0
105.07043	2.9
107.04958	2.6
109.06552	3.5
115.05445	2.2
117.07060	1.2
119.04967	4.7
121.06474	1.5
122.03653	7.5
123.08087	1.2
125.05985	1.8
128.06245	2.3
129.07007	4.0
131.04950	11.7
133.02901	2.4
135.04478	1.7
137.05991	100.0
147.04460	3.2
149.05948	2.9
151.03926	26.3
151.05086	2.8
151.07570	5.5
153.05484	3.0
157.06528	4.1
159.08081	1.4
160.05235	1.7
161.06007	10.0
163.03955	4.1
163.07581	9.0
167.07033	3.2
172.05251	2.5
174.06760	1.4
175.07600	7.1
177.05524	2.7
179.07047	4.0
181.04976	1.5
183.06560	3.6
184.05173	2.0
187.06111	1.4
187.07504	8.2
189.07080	1.1
189.09111	4.3
191.07057	3.3
191.08656	1.6
198.06715	1.6
199.07565	7.6
201.09146	1.5
202.07819	1.5
203.07060	6.4
205.08612	1.9
206.07185	1.3
211.07623	4.3
213.09244	3.1
215.06918	1.8
217.08664	1.7
219.08157	2.9
221.09843	1.6
226.06245	1.3
229.08623	1.9
231.08034	2.5
232.09012	1.6
233.08038	2.8
235.07652	2.0
241.08704	2.6
243.08041	2.0
244.08859	1.3
245.09772	2.5
246.06714	2.0
247.07574	2.0
249.09169	3.3
251.10681	1.4
253.08710	1.7
259.07492	2.4
260.08316	1.5
261.09186	4.8
263.10712	1.6
264.07782	1.9
265.08575	1.6
271.07333	1.6
271.09857	2.1
272.08289	2.7
273.09048	1.5
275.10648	3.8
277.08594	4.0
278.09296	1.9
279.10159	2.3
281.11588	1.9
284.08237	1.3
287.10684	2.9
289.08566	4.7
290.09476	1.5
291.10132	2.4
293.11642	1.7
295.09848	2.2
297.11288	2.4
300.07874	1.7
303.10184	5.0
304.10904	2.3
305.08170	2.9
307.09683	4.5
309.11371	7.1
311.12775	3.3
315.09729	5.9
317.08124	1.8
319.09497	1.5
320.10474	3.5
321.11316	7.5
323.12769	6.2
325.10968	1.6
327.12396	1.7
332.10483	6.8
333.11414	2.8
335.12918	15.4
339.12329	5.3
347.12775	20.3
357.13373	5.1
365.13898	27.9
375.14197	3.4
377.13828	4.2
383.14740	1.6
395.14984	4.6
448.14944	3.7
449.16019	2.0
451.15359	1.7
461.16086	2.0
471.17865	3.6
483.18307	2.9
489.19092	6.9
501.19052	8.3
519.20215	29.6
537.20630	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	537.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58675	0.6
53.03950	0.7
55.01861	0.9
64.85624	0.7
65.03965	0.9
66.04729	1.1
69.03438	1.2
69.42332	5.8
79.05516	3.4
81.03413	1.6
81.07056	1.8
81.20998	0.8
85.02904	1.8
91.05496	9.5
93.03376	0.7
93.07065	1.2
94.04185	3.2
95.04967	2.1
95.08642	1.1
98.21542	1.4
102.04718	0.8
103.05487	5.4
105.07054	10.0
107.04967	4.0
109.06523	2.3
111.04449	0.7
115.05457	5.8
117.03403	1.4
117.06992	1.5
118.04186	1.4
119.04952	6.6
119.08595	2.5
119.95741	0.7
121.06512	2.3
121.10124	1.2
122.03658	8.8
123.04377	1.0
125.05963	0.7
128.06194	1.8
129.07013	2.9
131.04945	8.4
132.05728	1.2
133.06514	6.8
135.04424	3.5
135.08061	0.8
135.11690	0.8
137.05991	100.0
138.06335	0.8
141.06926	0.7
143.06015	1.2
144.05667	0.8
145.02849	2.6
145.06456	0.9
146.03619	1.4
147.04420	8.2
147.08023	2.6
149.05988	4.3
149.09537	0.8
151.03926	17.0
151.05095	1.8
151.07581	3.1
155.04903	1.6
156.05708	1.0
157.06500	1.5
159.08076	4.7
160.05199	2.1
161.05984	16.6
162.06807	1.0
163.07555	3.1
165.05510	1.3
165.06984	1.5
167.07040	2.4
169.05046	1.5
172.05232	2.4
175.07562	20.5
177.05498	5.3
178.05785	1.6
178.07811	1.5
179.07039	2.8
179.08542	1.2
184.05208	1.6
185.05991	1.4
186.06775	0.8
187.07568	15.2
189.05473	1.4
189.07043	2.1
189.09087	1.5
190.07784	5.2
191.08563	8.3
196.77579	0.7
199.07545	9.1
201.09048	0.8
201.22342	0.7
202.07793	4.7
203.06963	1.8
203.08565	7.7
204.09352	1.2
205.06525	2.3
205.08391	0.7
205.10185	1.7
206.07306	2.0
207.08122	2.3
207.13818	1.3
208.08954	1.2
209.09682	0.9
215.08620	3.1
217.06444	0.9
217.08569	1.6
218.07278	6.8
219.08087	13.1
220.08858	3.1
221.09636	4.6
231.08051	7.4
232.08844	3.2
233.09653	5.6
234.10426	1.0
235.07565	5.3
236.08347	2.2
237.09140	1.6
243.07968	1.8
245.05836	1.2
245.09734	0.8
246.06854	3.4
247.07603	6.4
248.08313	3.6
249.09134	7.5
250.09892	2.2
251.06973	1.3
251.07935	1.1
251.10663	11.9
253.08627	1.5
259.07623	3.8
260.08353	2.7
261.09137	8.8
262.06229	1.0
262.09558	1.5
263.07068	2.3
263.10739	1.9
264.07867	1.4
265.08658	3.5
265.12256	1.0
274.06152	1.1
275.10849	0.8
276.07803	1.8
277.08609	6.3
278.09305	4.4
279.10162	11.6
281.08234	1.4
281.11801	1.4
283.09753	1.4
285.11276	2.9
289.08609	6.7
290.09399	1.1
291.10114	6.6
292.10977	1.6
293.08597	1.4
293.11716	8.4
295.13449	1.2
297.11206	3.8
303.10153	1.1
307.09616	1.1
309.11234	28.8
311.12793	20.3
313.08978	1.0
321.11246	26.8
322.12048	1.1
323.12762	7.0
335.12814	1.8
339.12292	1.5
347.12750	1.9
395.14841	0.9
439.15567	0.8
448.14960	1.6
451.92755	0.8
501.19006	0.9
519.19885	1.2
537.21356	0.8
549.56238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93645	2.0
70.06588	2.5
71.58247	1.6
72.08165	2.3
73.50713	2.0
78.05443	1.6
87.03988	1.8
87.04472	29.7
91.05495	5.0
92.26958	1.7
93.07030	3.5
97.02946	2.3
103.05492	5.3
119.04941	4.0
121.06477	17.8
131.04936	3.0
137.05969	21.0
138.06334	2.4
146.71315	1.7
147.04367	1.9
148.03984	2.2
151.03847	2.4
151.06398	1.7
165.05496	2.4
166.04999	3.4
167.07057	3.5
177.05528	3.0
179.03352	3.0
180.06580	45.3
191.54799	1.6
200.27939	1.9
222.07564	10.8
266.10291	29.1
294.09592	4.1
308.11292	100.0
312.44199	1.8
414.15417	12.1
457.15192	2.1
488.19113	7.3
489.18121	2.3
507.44302	1.8
537.26141	2.6
559.11945	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01876	8.9
55.05517	12.5
56.96566	2.2
57.03424	2.5
57.07050	2.0
58.99580	4.2
62.69404	1.4
63.56767	1.6
65.03937	2.1
65.13209	1.5
67.05512	33.8
68.02632	2.4
68.05022	5.2
69.03427	4.1
69.06714	1.8
69.07068	17.1
69.40192	13.3
70.02026	1.5
71.04984	3.3
74.09721	9.3
75.36024	1.6
76.03977	2.1
79.05504	31.9
80.05018	12.6
81.03407	6.2
81.07063	70.5
82.06573	6.5
82.15959	1.5
83.04972	4.9
83.08619	10.9
84.04510	15.0
85.01128	1.9
85.06539	3.8
86.00654	1.9
86.09695	3.0
86.99045	1.5
88.88904	1.6
91.05485	26.3
93.07053	26.2
95.04971	13.5
95.08615	28.2
95.93080	1.4
96.04498	22.2
96.08128	1.7
97.01118	6.0
97.06525	4.9
97.10170	3.4
98.00643	3.2
98.20818	4.6
98.21495	3.3
105.07038	33.5
107.04961	12.1
107.08613	18.9
108.03801	2.7
108.04491	36.4
108.05232	1.9
109.06528	17.5
109.10201	9.8
110.06059	13.6
111.02653	4.7
111.08064	5.4
112.02200	10.5
113.00572	5.5
113.04267	1.5
114.03735	3.3
116.01675	2.8
117.07013	8.3
119.08590	29.8
121.06522	14.5
121.10163	14.5
123.02647	2.4
123.08060	7.4
123.11726	9.2
125.04174	4.2
127.02106	1.4
129.07072	2.8
130.07724	2.2
131.08591	13.4
133.10136	16.6
135.02644	3.7
135.08058	4.5
135.11679	6.2
136.03951	100.0
137.04247	3.2
137.07063	2.5
137.09598	3.4
138.05511	1.7
139.02174	2.8
139.05774	8.4
140.01692	11.5
141.07118	2.0
141.97610	1.4
142.03242	25.5
142.04997	3.2
143.08562	3.8
145.10124	14.6
147.05533	1.9
147.08072	2.9
147.11699	20.1
149.04222	2.1
149.09627	8.6
149.13257	7.0
150.05516	1.6
151.05785	2.6
151.11143	2.2
155.08606	1.7
157.10135	4.3
159.11699	7.3
161.13303	3.8
163.05757	3.1
163.11172	5.5
163.14806	3.6
165.06561	9.4
165.12778	6.4
167.05324	2.5
169.10106	3.0
170.02769	9.2
171.11653	3.0
173.09508	2.4
173.13243	5.2
175.11177	2.1
177.12833	2.5
183.11754	2.7
184.07353	6.7
187.11160	3.0
187.14870	2.2
191.14305	2.1
193.06113	90.7
201.12766	1.9
205.54767	1.6
211.07117	11.2
219.13866	1.7
223.13332	2.7
223.17278	1.7
227.04860	2.6
229.19589	4.1
233.18941	2.2
239.18083	3.0
243.04327	2.3
245.05896	8.0
247.20543	5.9
257.19025	10.6
275.20087	88.9
293.21146	30.9
307.17261	6.9
315.17783	2.0
325.18356	5.2
330.15500	1.9
333.18845	19.7
351.19998	9.6
398.21530	4.1
416.22598	36.2
434.23651	50.4
436.21521	2.0
462.23099	3.1
473.24432	3.3
501.24402	1.9
519.25342	4.5
537.25714	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	537.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01870	1.8
55.05523	4.3
58.99586	1.9
60.08148	2.2
61.08488	0.9
66.83979	0.7
67.05511	13.0
68.05038	3.4
69.07079	7.1
70.56192	1.4
70.56543	1.4
71.07382	1.4
76.04007	4.6
79.05067	0.8
79.05499	8.8
80.05022	12.5
81.05790	0.9
81.07062	15.8
83.04964	3.2
83.08626	1.7
85.06573	0.7
86.09706	11.4
86.99059	0.9
87.10044	2.4
90.37956	0.7
91.05482	8.8
93.07050	10.6
95.04976	3.0
95.08607	10.5
96.04495	4.0
97.06536	1.2
97.10170	1.8
98.98474	1.5
104.10750	1.7
105.07037	9.7
106.31441	0.8
107.04950	3.0
107.08600	7.0
108.04479	2.9
109.06525	4.4
109.10158	5.6
114.03760	15.8
116.01687	3.6
117.07027	2.5
118.06168	0.7
119.08595	6.8
121.06513	3.7
121.10114	3.9
121.31446	0.6
123.08061	2.1
123.11695	1.7
123.63648	0.7
124.02171	3.3
124.99991	8.7
125.09669	0.8
126.00368	1.2
129.07037	0.9
131.08575	6.7
133.06580	1.7
133.10143	6.6
135.08038	1.8
135.11702	3.4
136.03917	4.3
137.09673	1.6
138.05437	1.0
141.06926	0.8
142.03232	100.0
143.08565	0.9
144.01115	0.9
144.04762	2.5
145.10124	5.5
147.11681	4.3
149.09627	2.5
149.13277	2.4
151.11198	1.3
157.10130	1.6
159.11673	3.8
161.09624	1.2
161.13258	2.0
162.02240	2.9
163.11198	2.2
163.14790	0.8
169.10161	0.7
170.02719	47.1
171.11610	0.8
172.04277	1.1
173.13258	2.5
177.12782	1.0
183.11716	1.2
184.07358	40.7
185.07684	9.8
187.11215	0.9
191.14287	1.2
193.06117	2.4
197.13203	1.0
199.05409	3.9
201.12810	0.9
207.13853	4.5
212.13123	0.7
219.13797	2.1
227.04865	17.2
239.18011	2.0
245.05939	45.4
247.20587	1.2
257.19003	4.9
275.20078	50.6
293.21127	29.0
370.24323	0.8
519.32898	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	537.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01879	2.3
55.05518	6.5
55.41339	0.8
56.96577	1.4
57.03418	0.8
57.07064	1.3
58.99579	2.9
59.85016	0.7
61.02924	1.2
65.03933	1.4
67.05170	1.0
67.05508	14.2
68.05022	2.1
68.99802	1.0
69.03431	5.2
69.07070	8.2
69.72983	1.6
69.73371	2.4
71.04993	3.3
73.02893	1.1
76.04008	5.5
79.05497	11.1
80.05024	11.6
81.03416	3.5
81.05782	1.0
81.07063	25.5
83.04984	3.6
83.08620	3.3
84.04506	2.0
85.02903	4.5
85.06570	0.7
86.09714	2.5
86.99054	1.3
87.00832	1.8
91.03958	0.8
91.05476	10.5
91.34512	0.7
93.07043	17.4
95.04964	4.5
95.08611	15.8
95.09144	0.4
96.04495	3.5
97.02892	2.0
97.06509	1.4
97.10182	1.6
98.21474	1.3
99.80029	0.8
102.48874	0.8
104.10728	0.9
105.06382	1.2
105.07032	14.7
106.71783	0.7
107.04952	3.2
107.08591	11.8
108.04488	1.9
109.02895	3.9
109.06538	4.3
109.10162	11.5
111.04435	1.8
111.08079	1.4
114.03766	15.9
116.01666	4.0
117.07057	4.1
117.10284	0.8
119.08585	13.5
121.06499	6.8
121.10165	8.6
123.08057	2.2
123.11725	4.0
124.02189	3.1
124.99932	1.3
125.09577	1.1
127.03902	3.3
127.11193	3.2
129.07048	1.8
131.08580	8.9
133.06511	0.9
133.10149	9.5
135.08044	3.1
135.11671	4.4
135.12579	0.7
136.03979	4.8
137.09641	1.5
142.03226	100.0
143.08556	2.4
144.01086	1.5
144.04782	2.2
145.04912	0.8
145.06499	0.7
145.10138	8.8
147.08063	1.7
147.11678	6.7
149.09633	2.3
149.13246	3.6
151.11147	2.2
155.08572	1.8
157.10139	3.1
159.02919	1.3
159.08006	1.2
159.11708	7.0
161.09624	1.8
161.13251	3.7
162.02225	2.2
163.11177	2.5
163.14874	2.1
169.10162	1.9
170.02719	44.7
170.10892	0.8
171.11713	2.4
172.04269	0.9
173.09653	1.6
173.13249	4.7
175.11168	1.3
175.14806	1.3
177.12750	1.1
183.11716	2.1
184.07394	2.9
185.13210	1.8
187.14838	2.6
189.12711	1.3
189.16417	1.4
193.06183	2.4
197.13350	1.8
199.05420	3.6
199.14955	1.1
201.12770	2.2
201.16330	1.9
207.13753	4.2
213.16293	1.6
215.17944	2.8
219.13835	1.6
227.04860	16.1
229.19513	1.7
231.04922	0.8
239.17928	2.2
245.05928	44.5
247.20674	1.4
257.18988	5.4
271.24356	1.8
273.18561	1.1
275.20081	51.5
287.23779	1.5
289.25241	1.2
293.21112	24.4
335.09525	3.0
519.29974	1.6
537.26556	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	537.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01799	3.3
54.34449	3.8
55.05503	12.7
56.32770	3.3
57.07077	25.0
60.10652	3.4
61.20679	3.8
62.56656	3.2
66.11301	3.1
67.05524	25.4
69.07074	7.8
69.54245	26.3
71.08633	19.0
74.09710	15.2
79.05505	33.8
81.07066	21.9
83.04994	4.5
83.08614	6.2
85.10166	8.6
91.05487	25.1
93.07062	27.0
95.04972	7.5
95.08615	21.8
97.10204	4.6
101.97721	3.4
105.07037	16.8
107.08591	9.2
109.10146	5.9
119.08601	11.1
129.06970	8.9
133.10094	3.5
143.00650	3.7
145.10120	4.5
147.11711	17.1
161.09619	4.6
171.11639	14.7
189.12749	7.0
205.71849	3.8
207.13768	17.1
224.78931	3.4
281.17520	38.3
281.29538	33.2
282.27954	100.0
285.49237	3.6
299.30536	26.5
313.27423	38.9
440.70477	4.3
519.40552	59.7
537.53442	8.9
551.87366	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	538.19
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97520	0.3
69.79946	2.2
70.06558	0.4
84.33688	0.4
85.02878	1.0
88.99198	0.4
91.05448	1.1
91.84042	0.4
92.04752	0.4
97.02917	2.2
98.21490	0.5
110.52576	0.4
119.04915	1.2
137.05992	3.3
138.06291	0.4
145.02869	0.4
147.04378	1.2
151.03903	0.8
156.91904	0.4
162.05206	0.4
177.05431	0.6
179.07057	0.5
180.06335	4.5
203.07088	0.4
222.07385	4.4
234.11334	0.4
252.08435	4.5
282.09503	13.0
324.10571	1.4
342.11627	86.1
343.12228	0.5
397.67426	0.4
467.34973	0.4
520.18341	0.8
532.94458	0.4
538.19006	100.0
539.19098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03951	2.4
65.03937	1.1
70.48312	0.9
77.03928	0.8
81.03425	0.4
91.05490	12.7
93.07053	7.6
95.04979	22.4
103.05487	7.5
105.04550	1.5
109.06528	0.9
116.04977	0.5
117.05791	0.5
118.06517	1.7
119.04956	34.0
120.04492	0.3
121.06519	30.7
123.04441	46.4
129.70340	0.3
137.05988	0.9
144.04463	4.0
145.27748	0.3
146.06029	12.6
147.04425	18.7
148.04752	0.3
162.05530	3.1
164.07056	0.3
165.05496	11.4
165.06888	0.6
172.03990	1.9
176.07089	10.1
178.08650	40.2
190.05016	2.0
194.08208	0.7
204.06583	8.9
210.11324	1.7
222.07634	35.9
236.09169	1.4
254.10287	0.8
340.11823	0.8
342.13565	1.8
354.09589	0.4
368.11322	1.1
374.16003	8.9
386.12378	29.3
400.14050	1.4
418.15009	0.5
506.18188	2.9
538.20776	100.0
539.21100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03744	0.3
53.03953	4.1
55.01878	0.5
59.03047	0.3
61.54557	0.3
69.58888	2.3
71.04973	0.5
77.03925	0.9
79.05466	0.4
81.03429	0.4
85.02887	0.9
91.05489	14.0
93.07050	20.7
95.04984	4.3
102.04667	0.5
103.05479	15.3
105.04527	2.0
108.09017	0.3
119.04983	0.4
121.06515	100.0
122.06870	0.4
134.06035	0.3
137.05988	0.5
144.04477	0.4
160.03976	0.9
162.05487	1.9
166.08743	0.3
169.02596	0.4
176.07199	0.7
178.05052	1.8
187.56340	0.3
192.06572	3.7
194.08136	11.3
206.04578	0.4
214.26918	0.3
220.06071	3.3
236.09196	2.8
238.07100	3.4
254.10199	2.6
280.08191	8.8
298.09167	1.5
312.12308	0.6
326.24194	0.3
356.15250	0.4
358.13049	0.4
400.13980	6.9
418.15063	6.7
438.03497	0.5
538.20764	82.6
539.21558	0.5
545.72003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03951	1.8
55.05531	0.3
58.58281	0.2
64.37840	0.2
65.03927	0.3
66.28514	0.2
69.03411	0.3
69.07051	0.3
69.53731	1.4
72.08096	0.2
77.03943	0.5
79.05531	0.3
81.03446	0.3
81.07063	0.5
86.09730	0.2
86.82590	0.2
91.05487	10.4
93.07049	14.1
95.04977	2.1
95.08620	0.4
97.02888	0.3
103.05475	10.3
105.04503	1.3
109.06525	0.2
109.10143	0.3
113.49114	0.2
118.06563	0.3
119.04964	1.1
119.08566	0.2
121.06510	100.0
122.06837	0.3
137.05981	3.9
148.03911	0.3
164.07091	0.7
166.04999	1.4
168.72032	0.2
176.07092	0.2
178.08664	0.5
180.06564	22.6
186.13484	0.2
208.06006	1.2
222.07622	14.6
278.22159	0.2
284.12833	0.5
300.12314	5.6
302.10303	0.6
318.60223	0.2
328.11789	1.2
335.09662	0.3
342.13376	72.6
343.13605	0.6
344.11176	0.9
405.82938	0.2
422.15878	0.3
464.17096	8.3
478.18460	0.4
496.19632	0.5
502.08511	0.2
538.19983	1.6
538.27899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01865	1.4
61.02931	1.6
69.03441	5.1
69.74106	6.4
70.06623	1.1
79.05495	1.3
81.03407	1.8
85.02916	12.5
87.04510	1.0
91.05477	4.3
94.04178	1.5
97.02899	3.4
98.80843	1.1
103.05476	8.6
104.62170	1.0
105.07051	4.0
107.04933	1.0
109.06521	1.5
115.05463	4.2
117.06973	1.8
119.08578	5.3
120.99289	1.0
121.06505	3.7
122.03660	5.9
127.03909	2.0
128.06212	1.6
129.07037	5.2
131.04941	11.5
132.05746	2.1
133.06522	3.6
137.05986	100.0
143.04900	2.2
145.04851	1.5
146.03543	1.2
147.04477	1.7
147.08011	5.6
149.06042	1.5
151.03862	1.5
157.06496	2.1
160.05199	4.7
161.05966	8.7
163.06143	1.0
163.07553	24.0
175.07559	92.2
187.07509	9.9
189.09125	3.3
190.07811	1.2
191.08595	3.0
193.08623	4.6
199.07535	4.6
201.09102	1.9
202.07686	1.4
203.08553	2.9
205.08601	4.4
217.08467	1.5
218.07269	1.5
219.08061	5.1
220.08931	1.2
231.08104	4.8
235.09665	4.0
247.07625	2.9
248.08278	2.3
251.10608	7.1
259.07587	2.0
263.10709	2.5
276.07776	1.9
277.08524	1.1
279.10095	6.0
291.10193	8.3
292.03299	1.0
296.10837	1.0
308.10263	1.1
309.11316	1.7
311.12839	22.1
323.12796	15.2
325.14413	5.9
341.13873	4.1
347.55673	1.0
351.55927	0.9
538.19470	1.6
538.29810	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
61.02930	1.3
65.03928	1.4
69.03433	2.2
69.35175	2.1
69.35600	2.0
81.03407	2.3
81.07054	0.5
85.02916	7.8
91.03982	0.6
91.05486	1.6
93.03415	0.9
94.04206	1.3
97.02911	2.5
99.04382	0.4
103.05462	1.6
103.13702	0.4
104.18404	0.4
107.04967	1.2
109.02861	0.6
109.06521	1.0
111.04457	1.2
115.05460	5.3
117.07023	2.1
117.32940	0.4
118.10040	0.5
119.04942	0.5
122.03642	4.6
122.74571	0.5
125.05994	1.7
127.03929	1.4
128.06226	0.8
129.07004	5.1
131.04936	2.9
137.05986	82.7
138.06306	1.5
141.82581	0.5
143.04939	10.9
144.05656	1.1
145.04951	2.1
145.06519	1.6
146.03677	1.0
147.04370	0.7
151.03897	2.2
151.07512	0.9
153.05490	2.5
157.06490	4.3
158.07359	0.7
160.05220	14.4
161.06030	2.6
163.03891	0.6
163.07564	2.9
167.07008	1.1
172.05220	2.1
173.05968	0.6
174.06805	2.3
175.07558	100.0
176.07843	0.8
177.05559	1.0
177.09103	0.9
179.07050	0.8
180.08696	1.4
183.38927	0.5
185.05978	0.6
187.07562	33.9
189.09122	8.7
191.08569	0.8
199.07683	0.9
203.08562	1.5
205.08618	23.5
211.07581	1.1
217.08580	2.6
219.08034	1.5
220.08875	0.8
231.08057	1.9
232.08566	0.6
235.09654	23.8
239.07030	1.6
247.07584	1.4
248.08342	1.4
251.10684	0.9
255.06540	0.8
259.07538	1.1
263.10571	2.6
265.08841	0.7
268.07419	0.5
270.08859	2.0
271.09567	4.0
276.07867	0.7
279.10071	1.6
283.09711	0.8
291.10193	6.2
296.10352	0.8
308.10397	0.8
311.12799	2.7
322.11594	0.6
323.12833	5.7
341.13849	7.3
348.12912	1.1
366.14124	1.3
520.20190	1.5
538.20209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
65.03958	0.5
66.04702	0.7
69.03433	1.6
70.06580	1.2
71.58738	0.5
72.39574	0.4
76.41367	0.4
77.03935	0.6
78.70468	0.5
79.05064	0.5
79.05499	7.1
81.03435	0.5
85.02930	2.2
91.04956	0.8
91.05489	8.3
93.07030	1.0
94.04202	2.4
95.04955	0.8
97.02906	0.7
103.03273	0.5
103.05477	17.4
105.04540	0.4
105.07050	1.6
107.04965	7.9
109.06517	0.4
110.35432	0.4
119.04970	3.3
121.06504	3.2
122.03655	5.5
127.03984	0.4
129.07018	1.2
131.04936	9.9
131.08630	0.5
133.83989	0.5
135.04433	7.3
137.05988	100.0
138.06339	1.0
141.06993	1.3
144.04469	0.7
145.02881	1.2
146.03198	0.5
146.05988	2.1
147.04410	0.5
149.06041	2.9
151.07571	1.9
152.74731	0.4
157.06485	2.0
159.08069	0.6
160.05190	0.4
161.06035	1.6
163.07594	1.8
164.07066	0.4
169.06519	1.0
172.04013	1.2
173.06046	1.7
175.07550	1.8
176.07146	1.7
177.05493	1.4
178.06000	0.7
178.08644	9.1
185.06007	1.2
187.07579	4.3
189.09140	0.6
190.05054	0.5
199.07611	1.6
201.09088	0.4
204.06602	1.3
205.08647	1.3
217.08620	6.2
222.07683	2.3
233.09560	0.5
235.13646	0.4
291.10236	0.5
323.12753	4.0
324.12338	2.4
324.64560	0.5
326.13925	5.3
352.11771	2.1
370.12894	11.0
494.22968	0.8
506.18433	1.0
538.20728	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	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05512	2.5
57.03436	2.1
58.15932	0.5
59.05003	0.6
64.44081	0.4
64.59898	0.4
65.03936	1.9
65.33692	0.4
67.05501	2.5
69.03434	8.2
69.07064	0.7
69.29882	2.9
69.30306	1.5
70.06567	0.4
71.05002	3.8
79.05505	0.7
81.03419	1.8
81.07052	1.6
83.04990	4.7
83.08617	3.5
85.02912	5.5
85.03392	0.8
85.06564	1.2
87.04472	5.3
91.03961	0.4
91.05492	2.6
93.07052	2.5
94.59245	0.4
95.04975	100.0
95.08617	1.2
97.02909	6.6
97.06524	1.4
99.04463	19.7
99.05115	1.0
103.05450	0.9
105.07043	2.1
107.04913	0.6
107.08610	3.2
107.57415	0.4
109.06553	2.5
109.10155	2.5
111.04422	0.5
111.08055	2.6
115.03935	8.4
117.03418	0.5
119.04940	1.1
119.08572	1.2
121.06524	0.5
121.10148	2.1
123.08067	1.3
123.11749	0.8
125.09632	2.4
127.03914	0.7
131.04939	0.8
131.08591	1.2
133.04968	6.2
133.06509	1.0
133.10136	6.0
135.08087	0.7
137.05981	14.9
138.06377	1.3
138.09186	0.4
139.11206	1.9
145.02869	1.3
145.04977	1.2
145.10133	0.6
147.11713	1.2
149.05980	0.5
149.09656	1.4
149.13304	1.2
151.03912	2.3
151.11197	5.8
152.04266	0.5
153.09114	26.3
161.05994	2.6
163.03918	0.7
163.07561	0.8
166.08723	0.8
167.07173	1.0
167.14351	5.0
169.12314	2.4
173.13295	3.4
175.07571	1.3
175.14842	0.5
177.05525	2.0
179.07173	0.5
181.04944	0.4
181.12233	2.7
185.08058	0.7
187.07617	1.3
189.09207	0.6
191.08641	1.4
191.14273	4.2
209.15376	58.5
210.15813	0.6
219.08025	2.6
227.16402	4.0
247.07584	1.0
251.10669	4.8
251.16446	2.3
277.08646	0.6
279.10205	4.3
288.95251	0.5
295.10260	0.7
311.12769	8.5
323.12863	1.0
335.18622	3.8
340.12543	0.6
341.19763	2.4
358.13626	0.7
371.20874	1.6
457.82422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35747	0.8
52.91746	0.7
53.03963	0.9
55.05503	2.2
57.03458	1.2
58.06600	1.5
60.08168	18.7
65.83154	0.8
67.05509	3.6
69.07072	2.5
70.48186	1.1
70.48549	2.8
71.07379	7.7
79.05521	2.3
81.07072	4.6
85.02914	2.0
86.09712	52.5
91.05494	1.6
93.07055	2.9
95.04987	1.1
95.08631	3.3
98.98500	3.1
102.07350	0.7
103.05493	3.6
104.10751	100.0
105.07072	1.4
107.04971	1.6
107.08572	0.8
111.91406	0.7
119.08604	1.6
121.06504	4.4
121.10155	1.3
124.99093	1.5
125.00010	27.6
131.04961	1.8
137.09543	0.9
163.03972	1.1
164.07085	2.9
165.07292	1.5
184.07355	100.0
184.53528	1.0
213.13033	0.9
258.11224	1.3
262.64969	0.9
274.73038	0.9
311.67804	0.8
312.12265	3.9
313.12781	4.1
314.13712	1.1
357.25800	1.0
385.35724	0.8
419.16840	1.8
419.93222	0.9
520.33899	11.6
534.59747	1.0
538.35181	53.8
539.24854	1.2
541.45648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.5
56.96557	0.5
57.66536	0.3
58.06600	0.5
60.07883	0.4
60.08168	7.0
67.05495	0.6
69.07081	0.3
71.07378	3.0
71.56693	0.4
79.05493	0.4
81.07051	0.7
83.08643	0.3
83.55779	0.3
86.09711	32.0
91.05492	0.6
93.07041	0.5
95.08596	0.6
98.97546	0.5
98.98471	2.4
104.10750	5.9
105.07023	0.5
121.06492	0.8
121.10139	0.4
125.00013	21.2
142.03221	0.3
184.07350	100.0
242.23460	0.3
281.33792	0.3
315.16324	0.5
316.16788	0.6
323.61230	0.3
334.17767	0.6
374.38608	0.3
419.46777	0.3
520.33636	1.6
538.23553	1.9
538.35168	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	538.3876
Annotation	1-nonadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.39232	0.5
56.05042	1.7
57.07092	3.1
58.06599	1.2
60.08172	16.4
67.05512	1.6
69.07072	1.6
69.32054	5.0
71.07384	6.9
71.08624	2.3
79.05520	0.7
81.07072	1.9
83.08613	1.2
85.10197	1.2
86.09715	45.5
88.76062	0.5
93.07032	0.6
95.04968	0.5
95.08611	1.3
97.10167	1.1
98.98472	2.8
101.05524	0.6
103.28044	0.6
104.10754	96.7
109.10166	1.4
111.11704	0.6
123.11736	0.7
125.00019	26.6
125.09528	0.5
163.01492	0.6
184.07359	100.0
203.50395	0.6
212.01965	0.6
258.10883	0.9
341.30743	0.9
355.32111	1.3
461.30582	0.8
520.37628	8.3
538.38660	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	539.1375
Annotation	Sibiricaxanthone A
Peak:m/z	Relative Intensity
51.64982	0.5
52.05078	0.6
69.03439	1.0
71.33669	1.3
83.68722	0.6
85.02897	1.6
85.55059	0.6
92.55315	0.6
94.93011	0.9
96.92857	1.3
97.70104	0.6
98.97598	1.1
130.02989	0.6
130.89252	0.6
137.62526	0.5
143.33293	0.6
163.03946	2.5
172.35518	0.5
180.23357	0.6
191.04004	1.6
194.76509	0.6
194.94681	0.8
196.87836	0.8
196.94511	2.2
200.04472	0.8
201.00635	0.8
261.02884	0.8
272.06613	1.2
280.06274	0.6
281.07199	2.7
365.09732	0.7
367.91025	0.6
539.13837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1378
Annotation	Sibiricaxanthone A
Peak:m/z	Relative Intensity
55.42038	0.5
56.88503	0.5
62.68063	0.5
63.22392	0.5
64.84772	0.5
71.55507	0.6
74.02995	0.5
75.44039	0.6
77.27460	0.6
78.41994	0.5
81.49093	0.5
85.02899	1.0
94.93018	0.7
150.08829	0.5
163.03966	1.3
173.87372	0.6
192.56197	0.6
196.87872	1.3
281.07074	0.8
290.27191	0.5
482.35098	0.6
539.13818	100.0
540.14429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66034	0.3
52.89922	0.4
53.03941	0.7
55.01872	0.6
57.03446	3.0
59.04994	0.5
61.02931	1.8
67.89042	0.3
69.03079	0.5
69.03432	8.6
70.06591	0.4
71.01347	1.1
71.04990	1.9
73.02905	1.0
75.04475	0.9
81.03423	2.7
81.28685	0.3
85.02911	3.9
87.04446	0.5
97.02897	0.9
97.78677	0.4
99.04462	3.2
105.75539	0.3
109.02886	0.7
117.05504	0.8
121.06474	0.4
127.03898	0.5
137.05968	1.1
145.07574	0.5
151.03856	0.6
154.19041	0.4
170.07178	0.7
172.08717	16.4
175.13383	0.4
187.07634	0.6
190.09752	0.8
194.96620	0.4
198.06625	2.5
200.08273	2.9
216.07712	9.7
243.08797	51.5
244.07187	0.5
244.09453	0.4
281.79437	0.4
281.82672	0.4
316.12909	0.4
341.13547	0.4
359.13538	2.8
377.14575	100.0
378.14905	0.7
393.85281	0.4
430.41544	0.4
461.74094	0.5
468.07098	0.4
539.19702	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2834
Annotation	Gln Tyr Thr Lys
Peak:m/z	Relative Intensity
56.96548	0.3
64.49223	0.2
69.07031	0.4
69.70865	1.1
69.71271	0.6
79.05470	0.4
81.07020	1.1
85.02890	0.3
90.79487	0.3
91.05437	0.7
93.07018	0.8
95.08565	0.6
97.02867	0.4
105.06971	0.5
107.08551	0.6
109.10149	0.5
112.83705	0.3
121.06476	0.5
121.10101	1.1
137.05965	0.5
138.83798	0.3
149.13240	0.3
176.57387	0.3
185.02899	0.5
203.05411	0.4
229.48112	0.3
238.88570	0.3
275.07620	1.3
335.09491	37.5
539.28271	100.0
540.28589	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94746	0.3
55.05510	0.5
56.96554	0.7
67.05513	0.6
68.50262	0.4
71.58934	0.4
79.05447	0.4
81.07069	0.6
84.96041	5.4
89.92324	0.4
93.07081	0.4
95.08625	0.5
98.97608	0.5
102.97059	0.5
109.10184	0.4
110.97613	0.4
128.98610	0.4
135.11681	0.4
151.39018	0.4
200.13368	0.4
203.05342	0.9
259.07898	0.5
317.17786	2.9
317.68555	0.4
331.19473	1.6
335.18823	0.8
349.20639	0.4
359.18948	6.7
377.19971	0.8
380.31741	0.4
389.20062	0.4
400.21201	0.5
414.68198	0.4
539.31934	100.0
540.32227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05301	1.5
55.05515	18.0
57.03432	4.2
57.07075	10.1
59.05029	1.4
67.05506	36.3
69.03416	5.6
69.07070	26.3
71.04997	2.2
71.08633	5.1
71.57709	1.9
79.05503	15.0
81.07061	40.9
83.04968	3.3
83.08628	19.7
85.02922	3.2
85.06544	2.0
85.10177	2.7
86.09698	2.0
87.19852	1.3
87.30700	1.3
91.05490	10.6
93.07040	15.2
95.08612	44.6
97.06523	5.8
97.10184	16.6
98.98466	8.1
99.08092	2.0
105.07026	9.5
107.08592	12.0
109.06540	1.5
109.10163	23.1
111.04475	1.9
111.08084	3.5
111.11732	6.6
113.09670	1.8
117.07022	2.9
119.08588	7.7
121.10161	18.7
123.11720	8.9
125.09660	1.6
131.08548	2.9
133.10133	12.8
135.11710	13.2
137.09702	2.1
137.13258	4.2
139.11189	2.4
143.10754	1.5
145.10144	5.4
147.11671	6.8
149.13220	5.7
151.11166	7.0
151.14879	2.6
153.12762	2.1
155.01038	10.0
157.10115	1.7
159.11636	2.6
161.13297	4.6
165.12750	3.8
171.41907	1.5
175.14854	1.6
177.12805	1.4
183.73466	1.5
184.07410	3.4
193.19475	1.4
208.84201	1.7
215.17931	9.4
217.19525	8.0
233.19008	8.9
235.20589	12.9
239.23750	2.2
251.20091	42.7
253.21672	14.7
269.21088	8.8
271.22733	4.7
313.27368	24.6
337.27307	2.6
353.52887	1.6
385.29434	1.6
444.86768	1.5
485.39548	5.5
503.40988	6.6
539.31873	100.0
547.27557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41181	1.0
57.03439	9.0
59.04993	1.5
65.03933	1.4
69.03433	27.9
69.33129	8.1
70.06591	1.6
72.08159	19.7
74.09723	1.4
79.05511	1.6
81.03426	1.4
84.54319	1.3
85.02912	17.2
87.04473	16.4
91.05489	100.0
93.07055	2.1
97.02906	21.1
99.04482	1.0
99.19057	0.9
103.05465	12.8
107.04962	3.5
108.01638	1.2
110.09714	1.7
115.03938	31.0
119.04944	2.5
120.08112	1.6
121.06512	3.9
121.10141	1.7
123.04478	1.5
127.03908	1.9
131.04939	23.2
133.04970	37.6
137.05968	7.5
138.09189	2.2
145.02831	1.3
145.04953	1.9
151.03880	1.2
155.73026	1.2
163.07556	11.5
165.05562	1.0
166.08693	3.2
167.09047	2.8
172.03886	1.3
177.05385	1.6
229.08694	5.8
266.10397	1.4
327.13028	2.7
339.13474	2.9
343.11652	1.6
367.12955	3.5
508.20352	9.5
519.22815	1.1
540.22327	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	540.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41181	1.0
57.03439	9.0
59.04993	1.5
65.03933	1.4
69.03433	27.9
69.33129	8.1
70.06591	1.6
72.08159	19.7
74.09723	1.4
79.05511	1.6
81.03426	1.4
84.54319	1.3
85.02912	17.2
87.04473	16.4
91.05489	100.0
93.07055	2.1
97.02906	21.1
99.04482	1.0
99.19057	0.9
103.05465	12.8
107.04962	3.5
108.01638	1.2
110.09714	1.7
115.03938	31.0
119.04944	2.5
120.08112	1.6
121.06512	3.9
121.10141	1.7
123.04478	1.5
127.03908	1.9
131.04939	23.2
133.04970	37.6
137.05968	7.5
138.09189	2.2
145.02831	1.3
145.04953	1.9
151.03880	1.2
155.73026	1.2
163.07556	11.5
165.05562	1.0
166.08693	3.2
167.09047	2.8
172.03886	1.3
177.05385	1.6
229.08694	5.8
266.10397	1.4
327.13028	2.7
339.13474	2.9
343.11652	1.6
367.12955	3.5
508.20352	9.5
519.22815	1.1
540.22327	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	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.9
59.05011	0.9
65.03950	1.8
67.05505	1.0
69.03434	23.2
70.06604	2.2
71.59316	1.5
72.08156	8.4
73.02932	1.2
74.09704	1.1
81.03425	1.5
81.07083	1.2
85.02911	17.7
87.04473	18.3
87.04968	1.8
91.05488	100.0
92.05839	1.4
93.07051	1.4
97.02898	22.1
103.05476	8.1
107.04962	2.4
107.08636	1.1
115.03935	30.4
119.04968	1.5
121.06491	2.5
121.10171	4.0
123.04472	1.2
126.26098	1.0
127.03938	2.9
131.04938	20.4
133.04976	35.5
133.06499	1.5
137.06021	5.8
145.04974	2.0
147.04414	1.9
151.07465	0.8
163.07562	9.4
166.08658	1.6
167.09027	1.1
180.06577	1.5
229.08696	4.5
241.07217	1.4
253.09866	1.2
259.07962	1.0
289.07870	0.8
295.09915	1.2
327.13223	1.7
339.13458	3.7
367.12897	2.7
498.17145	0.8
508.20557	5.5
540.19440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66697	0.4
54.44026	0.4
56.95666	0.4
64.41727	0.4
65.58057	0.4
69.03423	0.6
69.53255	0.9
69.53662	2.2
74.30840	0.4
81.07060	0.5
85.02898	3.7
91.05453	1.4
97.02885	1.0
109.02843	0.6
115.05463	1.1
118.33656	0.5
123.11716	0.5
127.03974	0.6
128.06223	0.9
129.07010	6.9
131.04991	0.5
131.08577	6.5
137.05966	2.4
141.06990	5.9
144.05681	0.9
145.04959	1.0
145.06519	0.6
151.07486	0.5
157.06500	6.8
158.07292	2.8
159.08080	5.4
160.05199	1.1
161.09663	0.6
169.06453	2.8
170.07269	1.1
174.06775	13.4
175.07509	3.3
186.06764	3.3
188.08310	0.9
189.09119	24.3
191.10640	1.9
201.09113	9.0
207.10173	0.7
219.10176	100.0
234.16194	0.5
265.57513	0.5
381.15582	1.4
396.69095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54934	0.6
57.03419	0.6
69.03427	0.6
85.02910	4.2
91.05453	0.8
95.06077	1.1
97.02902	0.9
98.20601	1.0
105.07065	0.6
109.02884	0.7
115.05535	1.0
128.06250	1.4
129.07033	5.4
131.04938	1.7
131.08585	6.8
137.05980	6.3
141.07011	4.2
143.08514	0.7
144.05707	0.8
145.04919	1.0
147.04420	0.7
157.06520	4.4
158.07317	2.1
159.08078	7.2
160.05260	0.8
161.09711	0.7
163.07617	0.5
169.06541	2.2
170.07251	1.4
174.06775	11.4
175.07549	2.6
186.06755	2.3
189.09122	23.8
191.10674	2.0
201.09113	9.1
219.10184	100.0
220.10510	0.9
316.13080	0.7
431.33807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10094	0.2
57.03427	0.3
59.86908	0.2
61.02922	0.7
65.03938	0.3
69.03428	1.3
69.15750	0.2
69.20780	1.8
69.21196	0.7
70.06596	0.4
71.04990	0.3
73.85424	0.2
75.02320	0.2
81.03403	0.7
85.02912	4.7
86.71396	0.2
91.05478	0.7
97.02882	1.3
98.21532	0.5
99.04446	0.4
103.05447	0.3
109.02823	0.3
115.05463	0.7
117.03361	0.3
117.96321	0.2
119.19721	0.2
127.00504	0.2
127.03909	0.8
128.06155	0.6
129.06036	0.3
129.07011	5.0
130.07831	0.3
131.04935	0.8
131.08577	4.9
137.06004	1.7
141.07002	4.1
143.08484	0.6
144.05685	0.7
144.06671	0.3
145.04965	0.9
145.06543	0.7
146.07243	0.4
157.06517	4.0
158.07289	2.0
159.08063	5.5
160.05183	0.7
161.09607	0.4
162.07613	0.5
163.07524	1.2
169.06500	2.0
170.07257	1.1
171.08061	0.5
173.05989	0.4
174.06773	10.4
175.07585	2.4
180.08702	0.9
181.04930	0.4
181.08676	0.3
186.06755	2.5
187.07544	0.5
188.08287	0.5
189.09117	22.0
191.10713	1.8
199.09641	0.4
201.09123	7.3
203.10680	0.3
207.10197	0.7
219.10176	100.0
220.10422	0.3
237.11192	1.7
323.67700	0.2
381.15234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48250	0.3
53.03949	0.6
55.05503	0.3
56.46032	0.2
57.03428	1.0
58.07433	0.3
65.03934	1.3
65.23917	0.3
68.99772	0.3
69.03421	1.0
71.01366	0.3
71.04639	0.5
71.04996	5.3
71.57252	0.3
73.02913	0.3
75.04485	0.3
81.03424	3.5
83.04978	1.2
85.02426	0.4
85.02914	7.5
87.00828	0.5
91.05485	13.0
93.07080	0.4
95.04964	1.1
95.64194	0.2
96.41187	0.3
97.02902	2.8
99.04480	0.6
103.05495	0.4
103.90285	0.3
107.04951	0.8
107.14071	0.3
109.02880	3.5
110.57883	0.3
111.04430	1.7
119.04953	25.7
121.06561	1.3
123.04425	0.7
125.02364	0.5
127.03950	2.6
129.05493	1.6
131.04941	0.5
137.05988	13.4
145.04970	0.4
147.04419	100.0
148.04709	0.6
149.05917	0.3
151.03899	0.5
151.80412	0.3
163.07501	0.4
165.05496	2.6
170.57487	0.2
193.04944	0.4
237.07600	0.5
249.07692	0.3
255.06487	0.3
273.07523	0.3
287.36575	0.4
303.52118	0.3
395.09875	1.0
437.14636	0.3
523.15131	0.4
541.20715	6.9
541.29877	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	541.1922
Annotation	Oleuropein
Peak:m/z	Relative Intensity
51.91420	0.4
62.70574	0.4
65.03930	1.2
69.46165	3.0
79.05501	0.8
81.07069	0.9
85.02914	0.8
91.05487	20.9
93.07067	0.6
95.04990	4.4
98.21561	1.1
103.59823	0.4
108.70979	0.4
109.06530	1.3
119.04960	12.7
121.06528	0.8
123.04438	1.6
128.32344	0.4
135.04497	0.5
135.08060	1.2
137.05988	100.0
146.92264	0.5
147.04396	0.9
151.03912	10.4
163.03903	1.1
165.05505	13.7
181.08594	0.6
193.04985	2.0
207.06567	1.0
211.06114	0.8
225.07564	5.9
235.13374	0.8
243.08751	0.5
253.14397	1.1
312.92068	0.5
328.44641	0.5
475.21088	0.5
541.16803	1.7
541.29968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
56.96568	13.2
58.81486	0.2
67.05500	0.9
69.07060	1.1
69.43219	1.9
71.04967	0.3
71.95260	2.1
72.96034	1.0
74.97607	0.3
79.05488	0.3
81.07065	1.3
83.08599	0.7
84.96040	2.8
91.05499	0.3
93.07036	0.9
95.08611	1.0
97.10171	0.7
97.96829	0.8
98.21732	0.2
98.91934	0.3
98.97588	7.9
99.08137	0.3
102.97077	0.3
105.00173	0.5
105.07014	0.6
107.08565	0.6
109.10152	0.6
110.97575	2.0
112.99133	3.1
115.00713	0.3
115.97834	0.4
116.98627	3.7
119.08595	0.7
121.10118	0.8
123.01186	0.4
123.11682	0.5
124.99113	0.4
127.00697	0.3
128.98613	2.6
131.00180	3.4
131.08624	0.4
133.10170	0.6
134.99673	0.8
135.11719	0.7
137.02748	0.5
140.00192	0.6
143.00191	1.0
146.99672	1.7
149.01231	1.7
151.04250	0.4
151.14746	0.3
152.00221	0.3
154.01781	0.5
155.03755	0.4
158.99695	0.6
161.01178	1.2
161.13326	0.4
165.05513	0.4
171.03291	0.6
173.01213	0.9
175.02853	0.4
177.00708	0.4
184.02859	0.3
185.04883	0.5
189.04257	0.3
189.16397	0.4
191.02274	0.5
193.15999	0.3
199.06342	0.3
203.05946	0.4
217.19556	0.8
221.03275	0.4
227.09583	0.9
235.20576	1.0
239.09491	0.5
245.10629	0.7
253.21645	1.1
257.10535	0.3
266.12009	0.3
279.12708	1.2
291.12808	0.3
297.13763	0.4
305.14270	0.4
317.17892	100.0
318.18088	0.5
331.19342	0.3
333.17566	0.8
335.18948	25.3
358.20554	15.3
359.18958	0.6
361.20529	0.8
373.20670	1.5
377.19986	0.6
391.21655	0.9
403.21533	1.1
421.22327	0.4
433.22214	0.2
481.24734	10.2
541.28973	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
57.07098	0.9
67.05491	1.8
69.07062	1.2
69.87373	0.9
70.06576	1.0
71.59235	1.5
79.05503	1.3
81.07067	2.2
83.05003	1.2
83.08601	1.1
85.77914	0.9
88.07660	1.4
93.07076	2.0
95.08647	1.8
97.10192	1.0
102.09152	1.3
104.29657	0.9
105.31035	0.9
109.77798	1.0
115.35990	0.9
249.18739	1.0
256.26416	2.4
257.26593	1.5
310.78714	1.0
311.29520	2.1
312.29526	1.1
371.82224	0.9
540.53345	2.0
541.33508	100.0
541.53607	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	541.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.9
51.02387	1.9
53.03949	7.3
55.01871	3.1
55.05260	1.4
55.05516	23.2
56.05049	0.7
57.03431	2.1
57.07077	7.0
60.51295	0.7
65.03937	6.0
67.05507	69.2
69.03410	1.5
69.07072	16.0
69.20675	7.6
70.06594	2.5
71.04990	3.0
71.08629	2.4
77.03944	1.3
79.05496	79.3
81.03415	7.3
81.07062	60.0
83.04984	9.4
83.08622	8.3
85.06566	2.3
85.10179	1.2
87.04507	0.7
88.07635	5.6
91.05484	60.6
93.07050	74.1
95.04978	16.1
95.08611	41.0
97.06529	5.3
97.10193	4.4
98.20766	1.3
99.08106	1.3
101.06012	1.0
102.09182	4.3
103.05470	1.8
105.04538	3.3
105.07034	38.9
107.04977	4.1
107.07864	1.5
107.08597	28.4
109.06534	5.2
109.10151	10.1
111.08080	2.2
115.05508	1.3
117.07026	11.5
119.08587	24.4
121.06514	2.1
121.10152	16.3
122.10506	0.8
123.08066	4.2
123.11707	2.1
127.07549	0.9
128.06248	2.8
128.60115	0.8
129.07011	12.4
130.07744	1.3
131.08572	11.0
133.06514	0.8
133.10127	13.0
135.11700	11.2
137.09677	0.8
141.07001	1.1
142.07837	0.9
143.08577	8.5
145.10117	10.3
147.08112	1.5
147.11688	27.5
149.13245	3.7
155.08594	1.3
156.09351	0.8
157.10155	1.7
159.11722	4.8
161.09659	3.0
161.13271	10.9
163.14903	0.8
169.10143	1.8
171.11690	20.7
173.13344	3.0
175.14798	1.2
177.12819	1.2
179.14423	0.9
181.10133	1.5
185.13261	1.3
187.14845	1.2
189.12737	7.7
189.16521	0.7
195.11731	0.8
197.13284	0.9
199.14856	1.1
207.11902	1.4
207.13815	22.9
210.22864	0.7
217.19777	0.7
220.16272	0.7
225.14967	2.2
235.20572	1.0
243.21100	2.1
256.26364	7.2
257.26691	5.6
261.22256	2.9
267.33282	0.8
274.27438	0.8
281.17548	2.3
283.26395	2.1
284.26636	1.9
284.29578	1.6
285.29855	1.6
311.29340	6.5
312.29834	6.3
317.24991	1.8
431.33218	1.0
449.34027	2.6
487.41623	1.1
523.37854	1.6
540.53357	7.4
541.38965	100.0
541.53467	31.2
542.39148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01871	2.5
55.05512	14.3
57.03427	2.3
57.07076	7.8
61.26469	1.1
65.03935	2.3
67.05512	21.2
69.07083	8.7
70.06596	5.0
71.08627	3.5
79.05497	24.1
81.07062	25.5
83.04983	2.5
83.08629	7.7
85.10195	1.5
88.07634	5.8
88.33002	1.1
91.05489	22.4
93.07053	24.2
95.04968	5.1
95.08619	17.4
97.06535	2.7
97.10182	3.9
99.08078	1.4
101.82670	1.2
102.09190	4.4
102.96207	1.3
105.04504	2.0
105.07037	16.0
107.04962	1.3
107.08613	9.4
109.06531	1.8
109.10156	5.7
115.05451	1.3
117.07037	8.2
119.08591	14.1
121.06535	1.1
121.10157	6.0
123.08107	1.5
125.09712	1.5
129.06992	9.5
131.08577	16.3
133.06458	1.1
133.10141	5.9
135.11713	4.9
141.07010	3.3
142.07770	1.6
143.08569	13.7
145.10149	14.4
147.08110	1.3
147.11667	7.5
149.13300	3.3
155.08574	8.6
157.10139	10.8
159.11670	6.1
161.09634	1.1
161.13257	2.8
163.14799	1.5
167.08595	4.3
169.10112	10.1
171.11702	9.5
173.13292	5.5
181.10143	3.6
183.11693	6.3
185.13330	5.0
187.14868	2.2
189.12767	2.1
195.11725	4.9
197.13304	4.5
199.14876	3.8
201.16338	1.4
207.11832	2.6
207.13834	3.9
211.14877	3.3
213.16487	2.0
215.17992	1.7
221.13338	2.4
223.14775	3.1
225.16431	1.9
227.18044	1.9
237.16373	1.8
239.17989	1.9
241.19542	1.3
256.26291	8.7
257.26810	3.8
261.22372	2.3
281.17368	2.0
283.20514	1.4
283.26440	3.3
284.29575	1.9
285.18683	1.3
311.29510	8.7
312.29779	5.3
317.24710	2.8
330.46378	1.1
331.52652	1.3
431.33237	3.2
449.34232	9.1
467.35275	3.6
485.36221	1.5
495.82333	1.4
523.37970	9.7
540.53711	9.0
541.38977	100.0
541.53284	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03955	2.3
56.96570	0.4
68.68059	0.4
70.06599	0.6
71.04999	0.4
81.03445	0.4
85.02902	1.0
87.04427	0.4
91.05489	9.1
93.07053	11.3
95.04987	2.6
98.18845	0.4
98.98479	5.5
103.05471	10.0
105.04516	1.4
117.05774	0.7
118.06580	0.8
120.04483	0.4
121.06513	51.9
125.00014	14.3
130.06517	0.7
132.08078	0.6
133.10109	0.4
134.06023	0.7
141.55215	0.4
146.06015	0.9
148.07513	0.4
158.06041	0.7
160.04002	0.9
160.07605	1.6
162.05487	2.0
163.03928	1.1
164.07039	0.6
170.06024	1.5
176.07097	0.7
176.88910	0.4
178.05049	1.4
178.08653	0.8
180.06506	0.5
180.10181	0.6
186.05524	2.4
188.07083	5.3
190.08565	0.7
191.09438	0.6
192.06628	2.4
192.10197	0.6
194.08130	6.8
202.08650	2.2
204.06563	7.5
204.10301	0.6
206.08116	2.3
206.11917	0.5
207.08878	0.7
208.09683	1.0
214.05067	0.8
218.08153	10.9
220.06171	1.6
220.09695	34.5
222.07674	0.7
224.12856	0.9
230.08247	0.5
232.06056	2.2
232.09772	1.3
234.11198	0.6
236.09140	3.0
238.07159	1.2
238.10681	3.1
246.07666	5.8
246.14810	0.5
248.09201	0.5
250.07047	0.6
250.10806	1.8
254.10309	0.7
262.10782	6.2
264.08691	7.0
274.07288	0.5
280.08551	1.0
280.11786	7.2
280.14627	0.6
292.08163	0.7
292.40289	0.4
302.04349	1.3
306.09744	10.3
315.13425	0.8
316.05911	1.7
316.13840	1.3
318.07431	4.0
324.10849	1.8
330.03809	1.4
336.08231	0.4
344.05194	2.7
360.08411	2.0
362.06314	5.5
362.10269	0.7
370.16742	0.5
378.09360	1.3
388.17535	4.7
390.06030	1.2
394.36404	0.4
404.07455	13.0
404.12729	0.8
422.08813	2.0
444.16669	5.0
462.17557	1.3
482.12344	0.6
482.52277	0.4
500.13141	1.4
524.13177	1.2
542.14215	100.0
543.14874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
60.00507	0.2
70.06592	0.3
71.55938	0.2
91.05488	1.7
93.07043	1.7
95.04984	0.7
98.97852	0.4
98.98469	5.4
103.05459	1.9
104.05000	0.5
120.08078	1.0
121.06512	11.6
122.06007	0.7
125.00014	26.5
130.06541	0.7
131.07335	0.4
132.04472	1.7
134.06013	0.5
148.07585	0.3
150.05519	3.9
164.07077	34.1
166.08649	0.3
176.05539	0.4
176.07085	10.2
190.08641	51.8
191.09294	0.5
192.10245	1.2
193.07950	0.2
194.08138	13.1
208.09700	100.0
209.10329	0.9
210.11314	0.5
221.02988	0.4
232.09750	0.5
250.10715	0.9
268.11896	0.4
274.04755	0.8
288.06314	6.7
296.12817	0.9
314.13876	6.2
330.07388	10.3
346.16461	0.9
348.08377	0.4
362.10010	66.0
363.10260	0.4
388.17532	1.1
394.10397	0.5
468.14233	11.1
500.16852	0.5
542.18054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19614	0.4
70.97619	1.0
87.04475	12.9
91.05453	0.6
94.64591	0.5
105.06963	0.4
109.02644	37.8
121.06444	1.8
134.06065	0.5
135.06757	0.5
138.05464	0.5
146.05952	0.5
148.03928	2.1
151.06293	0.8
152.07013	1.8
164.06987	1.2
166.04999	1.3
176.07042	0.7
179.05801	0.7
180.06561	9.2
190.05003	3.8
194.08125	7.6
208.06189	0.5
212.09041	0.7
222.07556	1.2
254.10223	7.5
266.10257	0.6
270.07608	0.4
276.08438	30.1
276.34521	0.4
280.11646	0.5
308.11288	0.9
317.11325	0.4
330.09509	7.6
340.13971	13.6
362.12112	100.0
363.12766	0.6
364.11621	7.0
428.17142	1.5
450.15128	3.2
510.17697	1.5
542.20081	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	542.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
51.91236	0.1
53.03952	1.3
53.67961	0.2
67.61949	0.2
69.30671	1.2
76.93208	0.1
77.03920	0.4
85.02911	0.2
91.05485	3.4
93.07049	5.6
95.04970	2.3
99.92590	0.2
103.05472	4.1
105.04522	0.5
121.06508	100.0
122.06838	0.4
123.04426	0.4
151.03879	2.3
165.05487	4.8
180.98726	0.2
193.04944	0.4
207.06604	0.2
225.07625	0.6
271.09567	0.2
311.28223	0.2
318.40228	0.2
331.11758	0.5
345.13394	0.7
387.93198	0.2
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
53.03933	0.4
55.01868	0.4
65.03931	0.3
67.05499	1.0
69.33138	1.5
69.33554	0.7
71.97456	0.2
77.03922	0.5
79.05468	0.9
81.03405	0.3
81.07056	0.4
84.80457	0.2
85.02913	0.5
91.05483	1.2
91.45361	0.2
93.07034	0.3
94.04198	0.3
95.04975	19.9
97.02885	0.3
98.20840	0.7
98.21507	0.5
105.03378	0.6
105.04487	0.7
109.06504	0.9
119.04949	0.4
121.05646	0.5
121.06516	9.7
123.04432	7.2
133.02843	1.4
135.04501	0.3
135.13615	0.2
137.06029	1.5
142.13145	0.2
147.04440	0.7
151.03911	28.0
161.09453	0.3
165.05482	100.0
175.03889	0.7
181.04924	0.3
183.06540	0.9
190.08636	0.4
193.04977	8.3
197.09477	0.3
201.09155	0.2
207.06546	3.4
208.09747	0.7
224.30118	0.3
225.07568	7.0
225.11058	0.3
253.08647	0.4
271.09668	5.0
313.10724	0.4
314.14011	0.2
331.11652	1.6
345.13492	1.9
346.38522	0.2
542.23865	0.9
562.46515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14654	2.6
55.05502	10.1
57.03426	11.7
57.07081	28.5
64.47021	2.2
67.05172	2.9
67.05508	37.8
67.95993	2.3
69.07074	16.8
69.34171	21.3
71.04988	3.9
71.08629	16.5
75.55759	2.3
79.05491	14.9
81.07055	49.2
83.08629	14.5
85.06552	2.3
85.10172	9.4
85.27962	2.5
89.06037	4.6
91.05472	9.6
93.07047	29.8
95.04959	2.2
95.08601	22.7
97.06539	8.1
97.10167	6.2
105.07027	4.7
107.08629	14.5
109.10168	8.9
110.44410	2.5
111.08060	4.1
111.11761	3.0
111.94746	2.7
117.07008	4.7
121.10153	12.2
123.11736	4.5
131.08528	6.6
135.11697	5.1
136.91270	2.7
149.13292	20.5
159.11697	7.9
159.52206	2.4
177.12738	4.0
191.58070	2.3
195.13805	6.6
209.19458	2.3
233.41194	2.4
245.19937	2.5
269.17490	100.0
305.32999	2.7
313.27377	70.3
507.33398	5.4
507.40485	82.9
542.54083	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	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72468	0.4
59.10159	0.5
66.48008	0.4
71.55047	0.5
93.33047	0.5
110.46880	0.5
111.00048	0.5
154.92410	0.5
159.18637	0.5
164.38094	0.5
170.40858	0.5
173.26332	0.6
215.92809	0.5
239.34241	0.5
267.82855	0.5
334.38745	0.5
363.06891	1.4
381.07935	11.9
532.87628	0.5
543.13281	100.0
544.13727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27221	0.3
61.02934	0.4
69.03426	0.8
71.17181	0.8
71.17531	0.4
73.02920	0.7
77.79240	0.4
85.02898	1.7
91.03956	0.5
97.02892	1.0
98.97596	1.0
101.00868	0.9
119.01930	0.6
120.24223	0.4
121.98907	0.4
127.03961	1.0
140.22313	0.4
140.54150	0.3
143.01944	0.6
145.05026	0.3
147.04340	0.4
155.01920	0.9
157.03523	0.9
161.01248	0.4
161.03055	0.4
163.03915	0.8
171.05034	0.7
173.02960	0.8
205.05629	0.4
223.06642	1.2
245.05115	0.8
247.04955	0.4
274.08975	0.7
319.00656	1.2
319.04950	0.3
337.01050	0.5
351.11453	1.1
381.07938	12.2
502.69089	0.4
543.13239	100.0
544.13739	0.7
550.76776	0.4
554.58868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96407	0.4
61.74495	0.4
65.84608	0.3
70.06599	0.5
71.58881	0.5
71.86072	0.3
85.02879	0.5
91.05473	0.8
98.97553	0.5
105.06957	0.4
137.05963	1.9
185.04231	0.5
194.82669	0.3
203.05197	1.1
254.70508	0.4
363.11673	0.6
411.16791	0.7
424.26547	0.4
543.18085	100.0
544.18225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12459	0.3
60.73141	0.3
63.42088	0.3
69.76121	1.8
99.48631	0.3
117.03406	0.5
124.57972	0.3
133.33122	0.3
137.05983	0.6
143.77107	0.3
145.02853	1.7
149.06100	0.4
165.05495	1.0
177.05493	2.9
178.05052	2.7
185.04243	0.7
206.04562	2.5
211.72693	0.4
309.09515	0.7
321.09882	0.4
543.18408	100.0
544.18762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01871	0.3
59.58801	0.2
69.62958	1.2
70.03371	0.2
77.03938	0.3
84.08136	0.3
85.02953	0.3
91.05486	3.3
93.07050	6.0
95.04976	1.1
97.92535	0.2
98.20980	0.8
100.54403	0.2
103.05476	4.4
105.04558	0.4
114.09203	0.3
121.06514	100.0
122.06788	0.3
142.87511	0.2
151.28038	0.2
164.07072	0.3
171.14919	0.3
178.08730	0.3
178.13622	0.2
201.01027	0.2
264.29492	0.2
347.14899	1.6
388.17520	0.3
526.24512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01871	2.9
55.05502	0.7
57.03439	0.7
67.05497	1.7
69.03445	2.0
69.07079	2.4
70.83732	0.9
70.84080	0.4
71.04978	1.0
72.97819	0.4
73.02915	0.5
79.05503	1.8
81.03412	0.8
81.07061	2.9
83.04984	0.8
85.02917	4.6
85.06548	1.4
91.05486	4.1
93.07051	10.6
95.04976	1.9
95.08605	2.3
96.27505	0.4
97.02917	1.4
97.06538	2.9
99.04469	1.5
100.07607	0.6
103.05478	3.5
105.04519	0.5
105.07039	3.5
107.08606	9.3
109.06538	2.1
111.04462	0.4
111.08086	0.7
112.11263	1.0
113.06022	1.3
116.00367	0.4
119.08592	1.0
121.06513	100.0
121.10133	5.3
122.06872	0.9
123.08066	1.4
125.06005	0.6
127.03947	0.7
131.08569	0.5
135.11705	2.2
139.11200	0.5
143.04689	3.8
143.08656	0.5
145.10147	4.3
147.11720	0.7
149.09633	2.6
151.07570	1.6
163.03932	0.9
163.11195	9.0
164.07114	0.8
167.10687	4.0
169.08617	23.8
171.14996	1.4
173.09663	1.0
181.12254	4.1
185.11790	1.3
191.10664	4.3
209.11713	2.9
227.12801	34.4
289.14392	1.1
295.07758	0.4
329.17474	5.7
336.15744	2.5
347.18561	14.5
365.19653	6.4
396.14221	6.5
426.32104	0.4
500.20380	0.5
538.93683	0.4
544.23364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1998
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
70.06639	0.6
70.07014	1.4
85.02931	0.8
97.02912	0.8
98.21589	0.4
109.06583	0.4
118.96545	0.4
121.06532	0.3
123.08073	0.3
137.06007	1.0
177.05548	0.6
185.04309	0.7
220.38748	0.3
235.90948	0.3
264.69403	0.3
383.14868	0.5
471.04382	0.4
486.48541	0.4
545.19946	100.0
546.20422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37832	2.8
69.39752	0.3
70.06589	0.4
78.00722	0.3
85.02919	0.5
85.06575	0.4
91.05483	0.4
97.02888	0.3
107.71487	0.3
109.10189	0.4
115.16142	0.3
121.06511	3.0
137.05981	0.4
138.05492	0.3
147.04482	0.4
159.04213	0.8
173.29350	0.4
185.04256	0.8
194.72878	0.3
227.09004	0.4
309.09457	1.0
507.75482	0.3
531.36072	0.3
545.19952	100.0
546.20154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.44207	0.6
57.03447	0.9
57.38305	0.6
61.02930	0.7
69.03428	3.9
69.62566	1.0
69.62968	3.0
70.74918	0.5
71.04964	0.6
77.41010	0.7
79.05488	1.8
81.03422	1.0
81.07059	0.8
83.04975	0.9
84.08125	0.7
85.02422	0.8
85.02911	9.0
91.05471	2.7
94.04204	3.7
95.70428	0.6
97.02910	3.8
103.05478	3.0
105.07046	9.9
107.04963	1.7
109.02896	1.2
109.06517	2.4
115.05444	3.5
117.03338	0.7
118.04148	1.3
121.06527	1.6
122.03652	6.4
127.03895	2.3
128.06227	2.7
129.07007	1.0
131.04935	1.9
133.06499	7.8
137.05988	77.8
139.05470	0.8
141.06982	0.9
143.04979	1.1
143.06059	1.2
145.02846	1.7
145.04933	0.9
146.03612	4.7
147.04437	1.3
149.06007	1.4
156.05710	1.1
159.08151	1.0
161.05995	59.3
167.04941	1.1
171.08031	2.1
175.07555	2.3
177.05490	2.1
179.08549	0.7
180.06493	1.0
184.05231	4.1
187.07553	2.3
191.08575	2.5
192.09315	1.6
194.07353	0.6
199.07558	21.8
202.07759	10.0
203.08572	21.7
204.09346	1.7
205.06468	1.0
205.10104	0.7
207.06419	0.7
213.06830	0.7
215.08638	1.4
218.07390	1.1
219.08041	7.0
220.08827	6.8
221.09668	1.1
222.07085	0.7
230.07291	1.9
231.08069	30.8
232.08885	8.3
233.09665	1.0
235.11226	2.4
237.09218	1.2
243.08171	0.9
245.09679	1.8
247.07602	4.8
248.05751	0.9
248.08351	18.5
248.10776	1.3
249.09177	1.5
251.10791	0.7
252.11508	0.7
258.06772	2.4
259.07571	24.8
260.08340	16.0
261.09106	1.1
262.09943	2.0
263.10712	16.1
264.08295	0.5
265.08609	1.6
273.09018	0.8
275.06891	4.0
276.07809	12.2
277.08505	4.7
291.10175	100.0
292.10861	6.1
293.08017	2.5
295.09909	1.2
295.13297	2.8
307.09512	1.0
308.10498	4.5
323.12796	67.4
349.13983	0.9
365.13837	0.8
545.19989	4.2
545.33258	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.2
55.05512	3.7
56.96566	21.1
66.13132	1.2
67.05515	10.8
69.07069	2.0
69.32477	1.1
69.32766	10.9
71.95261	4.2
78.31143	1.2
79.05497	5.6
81.03407	2.3
81.07069	9.8
83.08620	2.1
86.09731	1.2
91.05479	3.9
93.07040	6.6
95.04961	3.2
95.08608	6.4
97.06516	1.1
98.97604	1.4
102.92614	3.8
105.00121	1.1
105.07043	4.9
107.08581	3.1
108.11058	1.2
109.10164	3.8
110.97587	4.8
113.93044	1.3
117.07040	2.4
118.92072	6.3
119.08605	2.0
120.96606	2.2
121.06529	2.4
121.10173	3.4
123.11754	2.3
125.09602	1.8
128.98653	6.6
131.08585	3.5
133.10152	4.1
135.11674	2.1
136.93115	45.3
143.00148	1.6
145.10144	2.0
146.99669	1.6
149.01265	1.8
154.94176	80.3
171.03375	1.6
172.95250	92.3
177.95807	6.1
186.15768	1.3
190.96292	25.6
192.95668	1.8
195.96863	12.5
198.96799	1.6
207.99812	4.0
210.97031	13.0
213.97945	3.3
227.12749	1.2
228.97859	45.6
233.98465	2.7
239.09595	1.5
246.98926	18.4
251.99477	4.1
261.22461	1.3
267.15869	2.0
270.00415	2.3
279.12674	1.6
315.16098	2.3
317.17896	100.0
333.17319	2.2
335.18967	30.5
335.25739	4.7
358.20544	15.6
391.21490	2.4
397.14514	7.0
453.17163	64.3
453.33780	1.9
471.18243	88.0
489.19217	22.2
494.19885	18.4
527.20300	1.4
527.37329	5.7
545.21960	84.9
545.38696	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68546	2.6
53.03966	3.4
55.01855	4.8
55.05311	2.3
55.05518	29.0
56.95638	2.6
56.96558	7.9
57.03437	13.0
57.07071	5.1
65.03934	4.5
65.24097	3.5
66.98392	2.5
67.05172	4.1
67.05511	60.4
69.03407	3.0
69.07079	26.2
69.33848	9.3
69.34270	13.6
71.04990	3.4
79.05495	46.4
80.08336	2.6
81.03409	10.0
81.07065	71.2
83.04959	3.8
83.08635	15.7
85.06547	4.4
89.11836	2.5
91.05486	41.6
93.07049	48.0
94.73933	2.7
95.04971	9.5
95.08070	2.8
95.08615	40.6
97.06528	7.4
97.10160	11.9
103.05451	3.4
105.07043	41.0
107.08611	33.5
109.06521	4.6
109.10167	21.1
111.08072	5.6
115.05412	4.5
117.07027	17.1
119.08579	35.0
121.06503	4.0
121.10143	15.7
123.11684	6.7
125.09621	6.0
129.06979	11.8
131.08583	41.5
133.10101	21.1
135.11708	15.0
136.93117	15.6
137.09697	2.7
137.13203	3.0
139.11191	4.2
141.06990	4.3
143.08568	18.6
145.10147	30.1
147.11696	19.1
149.09647	4.0
149.13303	13.7
154.94217	25.8
155.08531	9.7
157.10153	20.7
159.08032	3.7
159.11702	28.8
161.09554	4.2
161.13243	13.3
163.11122	4.5
167.08568	3.2
169.10124	10.1
171.11653	20.1
172.95227	30.3
173.13245	15.7
175.14783	8.2
177.95757	4.4
181.10143	4.0
183.11656	9.0
183.82985	2.7
184.41887	3.6
185.13280	13.0
187.14833	8.2
190.96269	9.6
193.12219	3.9
195.11665	6.1
195.13795	3.3
197.13307	7.7
199.14807	9.9
201.16364	3.6
209.13272	3.6
210.97636	5.1
211.14853	3.8
218.67220	2.9
219.92145	3.0
223.14920	4.2
225.16272	4.1
227.12788	6.1
228.97911	19.1
241.19510	8.5
246.98929	5.0
257.18921	3.9
259.20547	19.1
261.22180	3.6
267.15909	12.2
269.17526	12.2
285.22238	3.5
299.23590	3.8
301.25250	6.8
309.22061	3.3
311.23694	2.9
315.23248	3.7
317.17908	33.4
333.24176	7.5
335.18893	9.2
335.25876	8.8
339.26883	3.9
417.31781	6.4
423.32516	4.3
425.33856	6.1
435.32663	17.3
453.17166	17.1
453.33551	17.5
471.18359	23.0
471.34497	13.5
489.19101	7.0
494.19476	6.0
497.35660	3.4
499.37378	5.0
509.36127	6.9
515.37653	3.9
517.38947	31.6
526.57196	3.1
527.37329	100.0
545.21851	33.9
545.38477	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	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
53.03934	4.3
55.01865	3.6
55.05268	1.4
55.05516	24.1
55.09278	1.0
57.03225	0.9
57.03448	10.9
57.07069	3.5
65.03928	2.9
67.05509	57.5
69.07074	22.7
71.04990	4.2
73.06564	1.2
79.05497	38.5
80.15116	1.1
81.03420	4.0
81.07063	61.0
83.04975	4.5
83.08633	13.5
85.02884	1.2
85.06544	4.8
91.05486	38.9
93.07053	50.2
94.05661	1.1
95.04961	6.2
95.08614	37.6
97.06528	8.6
97.10152	6.8
98.21512	2.4
99.08087	2.1
104.10760	1.2
105.07035	37.4
107.04955	1.8
107.08601	29.3
107.09289	1.9
109.06532	4.0
109.10162	14.6
111.08094	4.0
115.05479	1.6
115.09465	0.9
117.07030	17.3
119.08591	34.6
121.06564	2.3
121.10143	22.8
123.08070	3.4
123.11718	5.1
125.09636	3.6
128.06238	2.9
129.07019	14.4
130.07811	1.7
131.08574	36.1
133.10144	26.7
133.11084	2.1
135.08072	2.1
135.11691	12.1
137.09612	2.2
139.11200	1.9
141.07002	3.3
142.07780	4.3
143.08575	22.1
145.10144	33.7
147.08066	1.4
147.11693	25.0
149.09666	2.9
149.13257	11.3
151.11172	1.4
154.07869	1.1
155.08568	7.3
156.09389	2.0
157.10135	21.1
158.10986	1.1
159.08070	1.6
159.11702	33.4
161.09616	2.1
161.13274	14.9
163.11177	2.2
163.14853	1.4
167.08580	2.2
168.27216	1.0
169.10115	10.3
171.11700	22.3
173.13266	22.4
175.11235	2.6
175.14871	6.3
177.12737	2.5
181.10114	5.5
183.11717	10.3
184.07295	1.3
185.09579	1.6
185.13261	18.4
187.11203	1.5
187.14824	9.1
189.12755	1.4
193.12004	1.3
195.11729	4.4
195.13824	3.8
197.13264	6.2
199.14856	10.4
201.16400	4.0
207.11678	1.5
209.13322	4.4
211.14835	6.2
213.16435	6.7
219.17485	1.7
221.13376	2.5
223.14923	3.7
225.16341	2.5
227.12503	1.2
227.17938	1.2
231.21234	1.6
235.14836	2.0
237.16389	1.3
241.19536	11.1
242.62038	1.1
251.17905	1.3
254.95934	1.1
257.19125	2.0
259.20584	22.2
261.22198	2.9
267.15781	5.1
267.20981	1.5
269.17392	18.3
271.20471	1.3
273.18622	1.1
273.22247	1.8
277.21811	1.8
285.22217	2.3
287.20456	1.1
287.23685	2.6
295.20718	1.5
297.22238	3.1
299.20486	1.1
299.23737	2.0
299.56741	1.4
301.21674	1.4
301.25284	1.5
303.23221	2.2
309.22110	1.9
311.23615	2.4
313.25146	1.6
315.23251	3.2
323.23663	1.4
327.23404	1.8
329.24838	2.1
333.24286	10.9
335.26056	2.1
337.25388	1.9
339.27335	1.5
341.25098	1.8
353.24881	1.8
355.26416	1.4
407.33099	3.2
417.31644	4.1
423.32458	5.6
425.34311	6.1
435.32684	17.0
441.33560	2.8
443.35257	3.0
453.33749	16.1
471.34720	16.2
491.35291	1.5
497.36655	2.1
499.37473	5.1
501.35986	1.4
509.36002	8.9
515.37506	6.6
517.32922	0.7
517.38916	30.4
527.37366	100.0
545.38428	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85132	1.2
53.03943	4.6
53.63219	1.3
55.01877	2.7
55.05263	2.0
55.05513	26.1
57.03442	10.7
57.07069	4.1
65.03947	3.5
67.05508	62.7
69.03430	1.2
69.06725	1.5
69.07073	22.4
69.19173	13.5
71.04992	5.3
71.08633	1.6
79.05497	43.5
81.03407	2.7
81.07059	67.6
83.04972	4.1
83.08617	14.8
85.06551	4.1
91.05484	48.7
93.07048	56.8
95.04969	6.0
95.08613	40.9
97.06528	8.7
97.10180	8.0
99.08099	1.5
103.05434	1.5
104.10728	2.1
105.07036	47.4
107.08596	32.5
109.06525	3.2
109.10152	15.9
111.08092	4.4
111.11753	1.3
113.81039	1.2
115.05440	2.1
117.07013	20.3
119.08589	39.6
121.06479	1.9
121.10143	25.0
123.08097	2.5
123.11710	5.5
125.09618	2.8
128.06268	2.9
129.07007	15.8
130.07758	2.7
131.08578	42.0
133.09102	1.8
133.10139	31.7
135.08092	2.4
135.11684	15.0
137.09628	1.7
139.11198	2.8
141.07021	3.6
142.07806	3.1
143.08553	21.6
145.10124	40.8
147.08073	2.1
147.11700	30.3
149.09637	2.5
149.13268	15.7
151.11130	1.2
155.08577	6.9
156.09291	2.5
157.10144	22.5
158.10866	2.1
159.11693	32.9
159.13019	1.8
161.09572	3.3
161.13264	14.1
163.11215	1.6
163.14874	2.0
165.12830	2.5
167.08612	3.4
168.09439	1.6
169.10138	10.9
170.10901	1.4
171.11674	22.8
173.13269	21.0
175.11212	3.0
175.14865	7.5
177.12746	2.7
181.10175	5.2
183.11728	13.1
185.13271	17.2
187.11143	1.6
187.14774	9.3
189.12778	1.5
189.16469	1.5
193.10063	1.7
195.11902	5.7
195.13817	5.4
197.13275	8.5
199.14810	9.9
201.16411	3.9
209.13306	5.1
211.14883	5.2
213.16423	4.7
217.15771	1.5
221.13300	1.7
222.13908	1.5
223.14818	3.3
225.16411	3.0
229.19560	1.4
231.20990	1.8
237.16428	2.3
241.19514	15.2
242.93242	1.3
248.21169	1.2
249.16209	1.5
257.19064	2.8
259.20590	28.8
267.15891	5.7
269.17447	23.3
271.21075	1.3
277.21866	1.7
285.22198	2.1
287.19937	1.5
295.20511	1.4
297.22293	2.8
299.23663	2.5
301.21716	1.6
311.23639	2.7
313.21677	1.6
313.25208	2.0
315.23068	4.0
317.20963	1.4
317.24710	1.3
325.25204	2.0
327.23151	2.3
327.26730	1.3
329.24683	2.3
333.24237	16.0
335.76550	1.3
341.24619	2.1
353.24393	1.6
355.26422	1.5
396.62567	1.4
407.33182	3.4
417.31436	3.8
423.32529	5.2
425.34415	7.9
435.32645	19.9
443.35052	3.7
453.33627	16.8
471.34778	16.2
479.35345	1.4
497.35556	1.9
499.37897	6.9
501.35474	1.8
509.36588	8.7
515.36969	6.8
517.31738	2.1
517.38953	28.5
527.37354	100.0
545.38757	46.6
547.46478	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
51.08930	0.3
53.03950	2.0
55.01866	0.8
55.05500	0.6
62.46033	0.3
65.03933	0.6
67.05489	0.4
69.03442	0.3
69.07072	3.3
69.37543	0.9
69.37969	1.6
70.06586	0.5
71.04996	0.3
73.02935	2.0
73.06562	2.0
77.66007	0.3
78.99599	0.4
79.05494	0.6
81.07059	0.6
85.02921	0.3
90.86605	0.3
91.05486	9.2
91.56230	0.3
93.06470	0.6
93.07050	11.3
95.04971	3.0
97.02890	0.3
97.06542	0.5
98.21496	0.6
103.05475	9.6
104.04996	0.4
105.04515	2.0
106.06586	0.4
109.06529	0.4
116.04932	0.6
117.03312	0.3
117.05556	0.7
119.04929	0.4
121.06512	41.2
131.90813	0.4
132.04454	0.5
133.05118	0.5
134.06021	1.3
137.06021	1.6
144.04475	1.7
145.02835	0.5
146.06009	0.4
149.02419	0.5
160.03946	5.5
162.05524	5.0
162.11830	0.3
163.03960	0.3
164.07066	0.6
165.05457	1.7
166.04976	0.6
166.08717	0.6
176.07089	2.2
177.05487	1.0
178.04942	3.8
180.06593	1.7
181.05046	0.4
188.41911	0.3
190.04993	0.5
191.05690	0.4
192.06561	8.3
194.08138	19.9
202.04967	0.5
204.06650	0.4
206.04584	1.1
208.09756	1.3
217.15965	0.5
220.06041	2.1
223.05952	0.4
236.09203	0.5
238.07088	0.6
274.10849	1.1
276.12341	0.7
280.08224	0.6
290.13785	1.6
292.11829	6.5
292.15128	0.5
294.13455	1.4
302.10245	0.5
306.13367	20.6
308.14923	27.3
309.15375	0.4
316.12112	0.4
318.08734	0.4
318.21326	0.3
320.11169	1.4
322.16647	1.3
334.08841	0.6
334.12860	8.4
350.12292	0.5
350.15982	6.5
352.13934	10.7
366.15582	3.7
382.18625	4.5
394.14984	27.5
408.16559	3.7
426.17761	1.3
504.17197	0.3
514.20959	0.9
546.23431	100.0
547.23676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
53.03747	0.4
53.03951	3.0
55.01871	1.4
55.05508	0.4
65.03936	0.9
67.05502	0.4
69.03420	0.6
69.07076	3.9
70.06584	0.7
71.58900	0.6
73.02927	2.4
73.06557	1.9
79.05490	0.6
81.03409	0.7
91.05486	10.0
92.05007	0.6
93.07049	12.1
95.04988	2.9
97.02916	0.7
97.06543	0.7
100.72530	0.4
103.05476	9.9
105.04534	1.4
109.02795	0.4
112.24258	0.4
119.04947	0.8
120.04513	0.6
121.02927	0.6
121.06516	42.9
132.04482	0.7
133.05267	0.4
134.06035	1.6
137.05962	2.2
144.04457	2.1
145.02884	0.9
147.04448	0.7
149.02367	0.5
149.05931	0.4
160.03944	5.6
162.05511	5.4
165.05515	2.7
166.05077	1.1
168.34743	0.4
176.07036	1.9
177.05536	0.9
178.04956	3.8
180.06503	2.1
181.05032	0.9
188.03496	0.6
191.05811	0.5
192.06569	8.4
194.08148	21.8
204.06662	0.5
206.04561	1.2
208.09717	0.9
220.06133	2.4
236.09212	1.1
238.07120	0.6
268.11801	0.6
274.10751	1.5
276.12213	0.5
290.13834	2.0
292.11850	7.1
294.13419	1.9
306.13373	21.2
308.14929	30.5
320.11438	1.7
322.16537	1.7
334.12851	9.3
347.67453	0.4
350.12201	0.8
350.16016	9.2
352.13922	11.5
366.15488	2.9
367.11066	0.5
368.11688	0.6
382.18671	4.2
394.15015	28.7
408.16483	3.6
426.17624	1.3
504.17184	0.6
514.20770	1.1
546.23431	100.0
547.23938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
70.06584	0.4
71.56050	0.2
72.08173	0.2
77.03931	0.3
78.70705	0.1
79.05494	0.2
81.07034	0.2
84.08148	0.2
85.02866	0.2
91.05485	4.0
93.07052	5.8
95.04968	0.9
98.31445	0.2
103.05478	3.9
105.04521	0.4
105.06992	0.2
109.06515	0.1
121.06516	100.0
122.06850	0.5
132.71164	0.1
137.06012	0.2
152.63057	0.1
155.06973	0.2
160.68915	0.2
160.88870	0.2
169.08707	0.5
171.14928	0.2
180.10161	0.2
186.86383	0.1
211.09689	0.4
229.10738	0.7
334.21338	0.2
349.16467	1.2
451.17422	0.2
482.26645	0.4
537.29901	0.2
546.26239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.1
55.05517	15.6
56.96576	3.5
57.03439	7.3
57.07080	3.6
60.08177	1.4
60.53962	1.4
65.03938	2.3
67.05511	76.9
69.07072	14.1
69.79227	3.6
69.79642	5.4
71.04988	3.1
73.02921	2.2
75.04492	2.1
79.05497	38.9
81.07062	86.0
82.07419	1.9
83.04991	2.2
83.08638	9.3
85.02908	7.0
85.06559	3.6
86.09715	3.8
91.05495	22.5
93.07053	50.6
95.01358	3.5
95.04960	2.9
95.08617	60.7
96.08880	1.5
97.06561	3.0
97.10151	5.2
101.35761	1.4
103.71645	1.5
104.10749	3.7
105.07030	19.2
107.08599	35.8
109.06536	2.4
109.09454	3.0
109.10168	38.7
111.08089	3.6
113.02349	3.2
117.07037	9.6
118.07333	1.6
119.08583	15.7
121.06564	2.1
121.10150	33.2
123.08048	2.1
123.11705	19.1
125.00034	2.7
125.09591	3.0
131.08580	21.5
133.10152	14.3
135.11705	23.9
136.93121	4.6
137.09555	3.4
137.13290	7.8
141.01840	9.8
145.10123	17.1
147.11687	11.1
149.13292	20.4
151.11174	1.7
154.94194	10.7
159.11707	15.9
161.13287	12.4
163.14830	15.0
165.12720	3.6
172.95218	14.5
173.13316	15.7
175.14742	4.1
177.12897	2.5
177.16397	4.9
179.14310	3.0
184.07379	9.3
187.14830	7.5
190.96280	4.2
201.16461	4.5
210.97441	1.7
215.17964	2.1
228.97816	3.8
233.22733	2.5
240.10008	2.0
243.18784	2.9
243.21103	36.7
246.98897	2.5
261.22153	100.0
263.23700	3.3
279.23218	6.1
317.17905	4.7
318.18274	12.0
335.25760	34.0
336.19138	3.4
353.26907	42.7
359.20901	1.9
399.94229	1.7
416.39050	1.7
426.44604	1.6
454.17480	6.0
471.17950	1.8
472.18588	12.3
511.28992	4.4
528.37775	3.5
546.22064	12.2
546.39069	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	546.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
55.05501	10.4
57.03428	4.1
57.07076	4.0
60.01837	2.9
67.05168	5.3
67.05508	64.0
69.07055	12.0
71.04984	4.2
71.58690	3.5
71.59142	6.2
74.09716	5.8
76.07632	4.5
79.05057	6.1
79.05491	45.0
81.07061	62.9
83.08630	8.2
85.02885	3.9
91.05476	27.8
93.07049	54.9
95.01346	6.6
95.04958	3.2
95.08608	61.9
105.07047	18.9
107.08593	35.6
109.10157	36.2
117.07003	10.8
119.08618	16.5
121.10151	44.1
123.11689	16.1
131.08556	22.2
133.10159	15.5
135.11667	26.9
137.13249	9.7
138.81810	3.1
141.01797	14.5
143.37827	3.5
145.10132	14.4
147.11636	15.1
149.13269	22.5
149.31331	2.9
159.11682	17.5
161.13251	14.6
163.14880	18.3
165.12701	5.9
173.13225	14.8
175.14742	6.6
177.16394	6.6
179.14291	5.3
183.11865	3.1
187.14796	10.6
222.69673	3.4
243.21088	38.4
260.63699	3.1
261.22144	100.0
335.25739	16.6
353.26886	40.2
431.19620	4.4
436.34058	3.7
546.22791	13.7
546.37732	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	546.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32256	0.1
50.96100	0.1
55.05510	0.3
56.05042	0.5
58.06644	0.5
59.07442	0.1
60.08166	6.2
67.05503	1.0
69.07058	0.3
69.83382	0.6
70.06609	0.2
71.06982	0.2
71.07381	3.6
75.98177	0.1
79.05499	0.5
80.29409	0.1
81.03425	0.2
81.07056	0.7
83.08658	0.2
85.25196	0.1
86.09711	32.6
91.05485	0.4
93.07050	0.6
95.04989	0.2
95.08616	0.7
98.21449	0.3
98.98473	3.6
100.08819	0.1
101.95212	0.1
104.10052	0.2
104.10754	3.3
104.11420	0.3
105.07040	0.3
107.08628	0.3
109.10298	0.2
119.08610	0.2
121.10174	0.2
125.00011	23.2
133.10063	0.2
140.24777	0.1
143.01021	0.2
166.02725	0.2
184.07350	100.0
528.34082	1.1
546.35449	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	546.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
56.05040	1.6
57.03459	0.4
58.06588	1.5
60.08168	18.9
60.14901	0.3
67.05507	4.0
69.07076	1.2
71.07378	6.9
71.56945	0.5
79.05502	2.4
80.05827	0.3
81.07051	3.3
81.11022	0.3
83.08633	0.8
86.09711	51.4
91.05484	1.4
93.07064	2.1
93.07536	0.3
94.07442	0.3
94.63522	0.3
95.04978	0.4
95.08604	2.3
97.10202	0.4
98.98469	3.6
99.62575	0.3
104.10750	100.0
105.07071	1.0
107.08616	1.5
109.10139	0.7
114.93424	0.3
119.08592	1.0
121.06486	0.3
121.10181	1.0
123.11634	0.4
125.00011	29.8
131.08597	0.6
133.10141	0.6
147.11700	0.5
159.11719	0.4
163.01546	0.4
184.07352	94.8
236.43387	0.3
242.25119	0.3
248.40428	0.4
250.37997	0.3
258.11008	1.2
267.94977	0.3
285.39487	0.3
363.28943	0.5
454.33951	0.5
528.34222	7.6
546.35535	36.5
547.36304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73051	5.4
53.03962	5.1
55.05523	16.1
57.07082	7.5
67.05178	8.6
67.05508	100.0
69.07076	10.4
69.22428	61.8
70.16078	4.8
71.05000	28.8
74.06074	10.1
74.09743	8.8
79.05499	43.5
81.07064	90.8
83.08591	10.1
85.06506	5.5
88.22674	6.3
89.06027	27.4
91.05491	22.3
93.07050	54.9
95.08612	81.8
97.06514	6.9
97.10178	7.6
97.58552	5.6
98.21534	11.3
103.03201	6.3
105.07044	21.6
107.04877	6.2
107.08593	42.5
109.10149	56.5
117.07009	12.9
119.08596	18.0
121.10181	32.9
123.11688	32.5
131.08575	23.8
133.10162	19.2
135.11757	31.5
137.13290	13.8
145.10139	25.8
147.11714	13.0
149.13225	21.2
151.11195	6.6
159.11716	15.4
161.13231	13.8
163.14833	17.0
173.13268	18.7
179.14326	7.0
187.14856	7.5
238.22229	5.3
243.21077	29.1
245.22659	7.6
261.22141	95.6
263.23721	12.6
279.23242	50.2
334.54977	6.7
349.27341	58.5
367.28397	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	547.1789
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
53.03934	0.6
53.85316	0.3
69.03424	0.4
70.86244	0.5
70.86552	0.3
83.04977	0.3
84.08137	0.4
85.02884	0.7
87.43629	0.4
91.05489	0.8
93.07043	1.5
97.02876	0.4
103.05474	1.0
110.68153	0.3
112.25518	0.3
121.06516	9.4
143.04707	3.5
165.05498	1.3
167.07117	0.6
173.02124	0.5
180.06561	1.4
185.28876	0.4
189.05305	0.4
203.05374	0.7
207.06647	0.4
222.07495	0.4
233.04239	1.3
247.05804	0.4
265.06866	0.9
283.19043	0.4
311.08987	1.6
351.12527	0.9
353.09946	11.7
367.11337	3.1
369.13083	9.1
385.08691	0.5
385.12592	30.7
547.17914	100.0
548.18085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.6
57.03446	0.7
61.20389	0.4
71.58759	0.6
73.40242	0.5
73.46166	0.4
84.04512	10.1
84.08147	1.6
85.02914	17.9
86.06076	0.8
87.04461	0.8
91.05483	3.4
95.01348	2.1
96.65024	0.4
102.05552	10.2
112.03977	1.3
119.04958	1.7
121.06462	0.6
130.05013	100.0
137.05998	5.7
145.58801	0.4
151.06244	0.5
151.60229	0.5
155.95383	0.4
156.36217	0.5
158.79063	0.4
160.60616	0.5
162.12881	0.5
166.05011	2.4
172.68137	0.4
180.06573	22.9
206.08224	0.5
208.06090	1.4
212.61559	0.4
222.07626	15.6
292.08057	0.8
302.10315	1.0
309.10867	1.0
334.09375	0.8
337.10486	0.6
344.11301	1.7
351.11893	49.2
355.11783	0.5
384.09952	0.4
473.15570	8.3
473.26086	0.5
547.19342	0.9
556.40674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.4
57.03423	0.9
65.03945	0.5
69.03423	0.5
69.85687	2.1
84.04504	11.1
84.04979	0.4
84.08145	31.9
85.02903	19.5
85.03425	0.5
85.06507	1.0
85.56419	0.4
86.06039	1.3
86.09695	0.8
87.04456	0.7
91.05475	4.3
93.07043	0.5
95.01324	1.6
97.02888	0.6
102.05545	10.0
107.00466	0.4
112.03976	2.1
113.02351	0.7
119.04937	1.8
121.06510	2.2
130.05005	100.0
130.08643	7.7
135.04405	0.5
137.05969	7.0
148.75073	0.4
152.07071	0.8
163.03867	1.6
165.05435	0.6
166.05058	2.2
180.06561	28.9
194.08138	0.9
199.25476	0.4
206.08113	0.6
208.06117	1.2
222.07616	20.2
232.77528	0.5
264.12259	0.7
275.64429	0.4
302.10211	0.6
306.13376	0.7
337.10556	0.7
344.11215	2.8
351.11853	39.6
351.15628	18.2
418.15472	0.6
473.14914	6.8
547.22272	2.3
548.17487	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.4
57.03423	0.9
65.03945	0.5
69.03423	0.5
69.85687	2.1
84.04504	11.1
84.04979	0.4
84.08145	31.9
85.02903	19.5
85.03425	0.5
85.06507	1.0
85.56419	0.4
86.06039	1.3
86.09695	0.8
87.04456	0.7
91.05475	4.3
93.07043	0.5
95.01324	1.6
97.02888	0.6
102.05545	10.0
107.00466	0.4
112.03976	2.1
113.02351	0.7
119.04937	1.8
121.06510	2.2
130.05005	100.0
130.08643	7.7
135.04405	0.5
137.05969	7.0
148.75073	0.4
152.07071	0.8
163.03867	1.6
165.05435	0.6
166.05058	2.2
180.06561	28.9
194.08138	0.9
199.25476	0.4
206.08113	0.6
208.06117	1.2
222.07616	20.2
232.77528	0.5
264.12259	0.7
275.64429	0.4
302.10211	0.6
306.13376	0.7
337.10556	0.7
344.11215	2.8
351.11853	39.6
351.15628	18.2
418.15472	0.6
473.14914	6.8
547.22272	2.3
548.17487	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.6
57.03446	0.7
61.20389	0.4
71.58759	0.6
73.40242	0.5
73.46166	0.4
84.04512	10.1
84.08147	1.6
85.02914	17.9
86.06076	0.8
87.04461	0.8
91.05483	3.4
95.01348	2.1
96.65024	0.4
102.05552	10.2
112.03977	1.3
119.04958	1.7
121.06462	0.6
130.05013	100.0
137.05998	5.7
145.58801	0.4
151.06244	0.5
151.60229	0.5
155.95383	0.4
156.36217	0.5
158.79063	0.4
160.60616	0.5
162.12881	0.5
166.05011	2.4
172.68137	0.4
180.06573	22.9
206.08224	0.5
208.06090	1.4
212.61559	0.4
222.07626	15.6
292.08057	0.8
302.10315	1.0
309.10867	1.0
334.09375	0.8
337.10486	0.6
344.11301	1.7
351.11893	49.2
355.11783	0.5
384.09952	0.4
473.15570	8.3
473.26086	0.5
547.19342	0.9
556.40674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.6
56.51986	0.5
58.88673	0.5
69.58035	3.3
91.05490	5.3
93.07045	3.9
95.04939	0.6
98.06133	0.5
103.05471	3.1
109.38709	0.5
115.05434	3.4
117.05760	1.0
117.06991	2.8
118.06548	51.1
121.06513	26.2
121.07230	0.4
129.29111	0.4
131.59639	0.4
132.08130	0.8
134.06268	0.5
142.06531	4.5
142.87015	0.5
143.04803	0.7
143.07300	5.7
144.04482	2.8
144.08090	23.0
146.06015	100.0
155.06056	0.8
160.07584	1.3
162.05473	2.6
170.06012	6.8
172.04005	1.3
176.07050	4.7
178.08640	21.1
188.07077	64.1
190.05006	1.7
196.09698	2.9
204.06609	5.2
218.08157	0.6
222.07628	29.0
236.09152	1.0
240.08784	0.8
280.08243	1.2
333.90829	0.6
353.10233	2.3
360.14429	58.5
369.13278	2.1
385.12601	8.2
409.13974	3.3
418.15305	1.8
511.81497	0.5
547.20166	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	547.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
69.20655	0.6
70.82262	1.4
81.07076	1.0
82.98278	0.7
84.24448	0.6
90.26461	0.6
91.05488	6.6
93.07056	7.2
95.04968	1.5
98.17744	0.6
103.05497	4.8
105.07088	1.0
115.05473	2.2
117.07022	2.2
118.06548	38.4
119.04948	2.0
121.06512	52.6
122.06852	0.8
130.06543	1.9
137.06036	1.0
138.05521	0.9
142.06490	4.0
143.07297	3.0
144.04442	1.1
144.08098	19.1
146.06015	99.3
147.04443	5.3
147.06314	0.9
148.03949	0.6
152.07100	2.2
155.06117	1.3
156.72980	0.6
160.07587	1.4
163.03868	0.8
164.07072	2.2
166.04997	4.6
167.07251	0.9
169.07590	1.2
170.05994	7.7
180.06561	35.7
188.07071	100.0
191.10890	0.7
200.27751	0.6
214.38359	0.6
215.08211	1.2
220.06029	0.7
224.05608	0.8
234.09256	0.7
238.07057	1.3
261.10428	0.8
262.08621	0.8
286.10706	2.8
289.09677	0.7
318.13821	0.7
335.10300	16.1
337.11896	0.9
342.81210	0.6
349.11755	2.1
351.13394	3.2
353.11255	8.5
367.12915	40.4
377.11487	1.1
395.12460	7.7
449.25974	0.6
473.10660	1.2
473.17136	20.3
515.17822	1.1
529.19232	0.8
547.20190	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	547.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
54.52074	0.6
56.96566	0.6
65.03950	0.7
67.05495	1.5
69.07076	0.8
69.27542	5.5
73.96031	0.6
81.03425	1.2
81.07080	1.5
85.02920	0.8
91.05486	12.0
93.07055	13.7
95.04953	3.4
95.08618	1.2
99.86873	0.7
103.05479	9.1
105.04555	1.1
107.08591	0.7
115.05463	1.9
117.05698	0.6
117.07021	2.1
118.06554	32.0
119.04964	1.0
119.68360	0.6
121.06513	97.8
122.06803	0.6
129.23985	0.8
130.06528	13.9
132.08087	0.7
133.10104	0.8
137.05986	6.1
138.05504	1.3
142.06529	2.8
143.07298	3.4
144.04419	1.4
144.08096	19.7
144.09227	1.1
146.06018	88.1
148.03938	1.3
149.73035	0.8
150.05525	2.7
151.06412	0.7
152.07076	1.4
154.06480	0.8
156.08115	1.3
160.07570	1.5
164.07083	12.5
166.05014	2.9
168.08170	1.2
169.07599	4.5
170.06023	6.7
178.05045	1.5
180.06572	17.7
184.07573	0.8
188.07080	100.0
215.08176	6.8
216.10130	2.2
222.07530	1.0
224.05551	1.6
238.07034	0.7
257.09390	1.0
262.08569	2.6
267.78113	0.7
277.09885	0.8
280.09726	2.3
286.10693	2.6
290.10608	0.7
291.11157	1.3
305.12854	2.8
311.08630	0.8
335.10266	5.1
337.11798	4.8
339.77020	0.7
349.11761	0.9
351.09241	1.4
351.13419	23.8
353.11270	11.8
357.15427	1.2
360.14380	1.6
367.12943	26.5
377.11136	2.3
378.28961	0.7
379.12842	2.7
395.12405	22.3
427.15027	1.4
473.17157	26.2
515.17950	2.8
547.20746	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	547.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
53.31352	0.5
56.96561	0.6
57.19139	0.4
60.38134	0.4
65.56281	0.4
71.52048	0.5
71.56638	0.9
73.87852	0.4
78.92735	0.4
79.05502	0.6
81.07059	0.5
85.02920	0.7
86.09715	0.6
91.05489	6.1
93.07051	4.7
95.04977	1.2
103.05482	3.1
104.10748	0.6
105.04493	0.6
105.07014	0.8
107.08560	0.5
108.43512	0.4
115.05473	2.8
115.98508	0.4
116.05029	0.5
117.05775	1.1
117.07027	3.4
118.06553	49.6
120.04420	0.5
121.06512	27.2
122.06824	0.7
130.06564	0.6
130.39365	0.5
132.08087	0.5
142.06502	4.0
143.07329	4.4
144.04492	2.3
144.08092	21.8
146.06018	100.0
160.07576	1.0
161.92302	0.4
162.05489	1.4
164.07056	1.7
170.06010	6.9
172.03920	0.9
176.07083	3.8
178.08647	20.0
184.07347	0.9
188.07077	68.7
190.04971	1.7
196.09689	1.9
204.06590	5.0
222.07635	26.8
236.09242	0.7
240.08647	0.7
280.08078	1.5
351.13330	2.0
360.14435	54.4
409.13995	3.0
418.14813	1.9
452.71854	0.4
473.17059	0.6
503.25946	1.1
529.19128	0.8
547.20404	40.5
548.20123	0.7
565.27710	0.5
570.39581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01877	1.0
56.96571	0.8
65.03938	1.4
69.03426	1.2
71.57574	0.8
73.89391	0.7
79.05476	1.5
81.03409	1.6
81.07059	1.6
85.02909	1.2
89.03916	1.2
91.05484	10.5
93.07055	9.1
95.04981	3.2
97.02947	0.9
98.21083	0.8
103.05487	7.5
105.07085	0.8
107.08573	1.4
108.73213	0.7
115.05479	2.2
117.03414	2.1
117.07018	2.1
118.06550	36.9
119.04943	1.7
120.04507	0.8
121.06514	77.2
121.10118	1.0
130.06560	2.6
132.08144	0.7
133.10141	1.9
135.04463	1.4
137.09654	0.8
138.05540	1.2
142.06570	3.9
142.07610	1.0
143.07335	3.3
144.04446	1.2
144.08093	24.7
144.09230	1.6
145.02843	7.2
146.06017	100.0
147.04408	10.5
148.03899	1.2
151.06293	1.4
152.07056	1.6
154.06490	0.9
160.07596	1.9
163.03951	5.6
164.07126	2.0
166.05038	4.0
169.07610	1.3
170.06029	9.8
177.05481	14.4
180.06572	40.8
184.07483	0.8
188.07077	99.9
191.14401	1.1
209.15947	0.8
213.09253	1.2
215.08197	1.2
219.09105	0.9
238.07043	1.1
262.08530	0.9
286.10876	3.4
305.12692	1.2
335.10300	16.4
339.10965	1.0
349.11768	2.7
353.11380	14.1
367.12933	48.8
377.11282	1.4
395.12448	12.5
473.10626	1.3
473.17136	25.1
481.81870	0.7
503.22430	1.8
515.17810	1.2
529.19385	0.9
547.17908	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.3
69.54663	2.5
85.02897	0.5
89.03915	0.4
91.05483	7.1
103.05499	0.5
104.05016	0.4
115.05454	1.8
117.05765	0.9
117.07048	2.1
118.06548	33.3
119.04945	2.8
121.06483	1.3
122.06008	0.4
130.06541	1.3
132.08089	0.5
137.05989	8.9
142.06497	2.2
143.07332	3.8
144.04456	0.8
144.08093	18.9
146.06017	91.5
147.04399	1.1
150.05505	4.4
155.06018	0.4
160.07576	0.9
164.07077	27.5
165.07973	0.4
166.08652	0.5
168.87257	0.3
170.06023	7.4
177.05502	0.8
188.07074	100.0
189.07440	0.4
190.08595	0.4
196.17799	0.3
204.06517	0.8
206.08144	0.3
208.06221	0.4
222.07553	2.1
224.09248	0.5
286.10675	2.2
291.11365	1.4
301.95065	0.4
307.08533	0.3
337.11844	12.3
351.13403	48.7
360.14615	0.7
379.12930	4.9
402.64642	0.4
473.17111	23.0
515.18054	0.6
547.19080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94969	0.6
53.03951	1.4
55.05529	0.7
56.96558	0.7
57.32694	0.6
67.05502	1.0
69.03415	0.8
69.07069	1.0
70.06582	0.6
71.04992	1.1
71.57153	1.1
71.62912	0.6
77.03938	0.6
79.05486	1.0
81.07054	1.3
84.08168	1.0
85.02914	2.1
91.05489	6.6
93.07056	7.4
95.04977	1.9
95.08621	1.0
97.02912	0.9
103.05470	4.4
105.07034	1.7
107.08634	1.3
108.01534	0.6
109.02829	0.6
109.10129	1.0
109.73355	0.6
115.05471	1.8
117.03395	0.7
117.05769	1.0
117.07019	2.8
118.06550	37.6
119.04913	1.7
119.08570	1.2
120.04469	1.0
121.06512	50.9
121.10173	0.8
122.06814	0.6
122.20334	0.6
130.06551	2.2
133.10133	1.3
133.45726	0.7
137.05965	1.1
138.05432	0.8
142.06541	2.9
143.07367	3.5
143.08417	0.9
144.04420	1.6
144.08104	21.6
145.02829	1.0
146.06020	100.0
147.04433	6.4
148.03925	0.9
151.06282	0.9
152.07098	1.5
160.07539	1.5
161.09624	1.1
163.03926	1.4
164.07092	2.4
166.04974	4.7
169.07628	1.8
170.06015	9.1
177.02394	0.6
177.05580	1.6
179.10660	0.7
180.06569	44.1
184.07451	1.0
188.07079	99.2
194.38702	0.6
215.08202	0.9
224.05505	0.7
238.06996	1.6
242.84689	0.6
262.08505	0.6
286.10770	3.5
335.10300	17.1
349.11737	1.3
353.11340	8.3
367.12927	52.4
377.11456	0.8
395.12445	9.7
455.15680	0.7
456.70856	0.7
473.10651	1.1
473.17114	22.3
515.17871	1.2
529.18945	0.9
547.17725	0.8
547.25378	1.0
547.33228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.229
Annotation	3beta-Isodihydrocadambine
Peak:m/z	Relative Intensity
50.28591	0.3
53.03950	0.9
55.01876	0.6
55.05507	1.3
56.05045	0.8
56.96570	0.7
57.03438	1.4
61.02934	2.2
65.03949	0.4
67.05518	0.8
69.03436	8.4
70.06609	0.7
71.01379	0.4
71.05001	0.9
71.58519	0.4
73.02917	2.2
79.05486	1.8
81.03416	2.2
81.07059	1.3
82.06596	0.4
83.04987	0.9
84.08187	0.4
85.02914	8.5
85.06540	0.4
87.04485	1.5
88.03990	0.5
89.03938	1.5
91.03974	0.8
91.05493	2.4
93.07056	1.7
94.06573	1.1
95.08626	1.0
97.02899	5.0
98.97585	1.0
99.04466	0.9
101.02422	0.5
103.05479	0.6
105.03397	0.8
105.07027	1.3
105.42512	0.3
107.04978	0.7
107.08600	1.7
109.02892	0.9
109.06536	1.0
109.10172	0.9
117.03419	1.2
117.07037	0.5
118.06581	0.6
119.04971	0.6
119.08610	3.5
120.04481	0.4
120.08132	0.4
121.06482	0.6
123.08112	0.6
127.03930	1.4
129.07031	0.4
130.06519	3.2
131.04967	1.1
132.04465	1.2
132.08141	0.6
135.04408	2.5
135.08083	0.7
137.06009	1.7
137.09656	0.8
140.07068	0.5
143.00212	0.5
144.08109	1.3
145.02859	1.8
145.05008	0.7
146.03209	0.4
146.06033	3.3
146.09705	0.6
147.04402	1.0
147.08070	4.1
149.05992	0.4
149.09650	0.4
154.06505	0.6
157.07654	0.5
158.06023	2.7
159.09221	0.5
160.07602	1.4
163.03915	12.2
163.05215	0.7
163.07582	0.9
164.04260	2.7
164.10754	0.6
165.09125	4.3
167.07147	0.8
168.08092	0.7
169.07622	2.6
170.09654	0.4
171.09204	0.4
172.07619	1.0
175.08723	1.3
176.10838	0.3
177.00777	0.4
177.05510	0.9
180.08078	0.8
182.08379	0.4
184.07678	0.7
185.07150	1.4
187.08731	1.3
194.09697	0.7
195.09227	1.4
196.07651	0.8
198.09244	1.0
201.05472	3.3
206.09761	0.5
210.09218	0.4
211.08583	0.7
212.10837	0.4
213.10254	0.9
219.01770	0.6
221.10973	0.5
222.11243	0.4
223.12274	0.7
224.10846	0.5
225.10298	0.4
227.02371	0.5
231.07663	0.6
237.00667	0.4
237.02869	0.6
239.11809	0.9
255.01859	1.0
267.11362	1.1
271.10812	0.7
273.02835	0.5
276.14063	0.3
280.13312	0.6
285.12344	3.0
297.12363	0.4
305.08234	0.6
305.16592	1.1
313.15631	1.2
313.63715	0.4
321.16190	0.8
323.17410	3.1
325.10739	0.7
337.10977	0.6
339.17123	0.8
349.15723	0.4
351.17236	1.1
355.11829	2.5
367.16504	5.8
369.18188	2.4
379.03046	0.4
385.13611	0.4
385.17606	31.0
547.22961	100.0
548.23364	0.9
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
51.53014	3.5
53.03938	4.6
54.26138	3.4
55.05516	22.7
57.03428	11.9
65.03931	4.0
67.05510	77.9
69.07073	26.4
69.91200	16.9
79.05497	39.0
81.06589	5.7
81.07066	100.0
82.98308	4.0
83.05020	4.3
83.08623	15.0
85.06538	6.1
91.05489	35.2
93.07055	60.3
95.04959	3.8
95.08617	49.9
97.06563	7.3
97.10191	5.6
105.07029	18.7
107.08589	27.2
109.10178	26.5
111.75908	4.2
117.07022	7.3
119.08574	19.7
121.06516	3.4
121.10152	25.8
123.11724	6.4
131.08578	14.9
133.10123	18.9
135.11716	13.7
136.77448	3.7
139.47891	3.8
143.08586	6.4
145.10130	13.0
147.11708	14.4
149.13252	22.3
159.11694	19.0
161.13293	6.6
171.11729	5.0
173.13239	6.9
177.12708	3.5
187.14838	4.8
195.13809	12.3
203.22366	4.1
215.07303	3.8
218.22816	3.7
243.21310	4.3
261.22168	15.2
267.16074	4.7
269.17438	33.4
335.25708	31.7
428.21277	3.8
437.34384	8.0
455.34967	7.4
473.36188	10.8
503.36902	5.1
529.38910	70.2
547.40277	34.7
550.85333	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	548.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03948	2.8
55.01870	0.6
57.03447	2.3
69.03414	1.1
71.01363	0.6
71.04992	0.3
71.58025	0.4
77.03922	1.0
79.05484	1.1
81.03409	1.4
84.04499	0.4
84.08141	1.0
85.02909	33.1
91.05486	11.6
93.07049	14.6
93.07535	0.2
95.01338	0.5
95.04980	3.3
97.02892	2.1
99.04504	0.5
102.05566	0.6
103.03967	0.9
103.05476	10.5
105.04505	1.0
106.06569	0.8
107.04906	0.4
107.07396	0.5
107.08629	2.4
109.02882	1.2
113.02376	0.9
119.04962	0.6
120.04484	0.8
121.06511	52.6
121.08897	1.0
122.09686	0.4
127.03900	1.0
130.05006	6.3
130.08678	0.4
131.03398	2.1
131.05357	0.7
132.04483	2.6
134.06053	2.4
135.07094	0.6
135.08055	6.9
144.04468	1.4
145.04962	3.3
147.04422	1.4
150.05487	0.8
152.07076	0.7
153.09093	1.2
160.03947	6.5
162.05531	7.5
163.07520	0.9
164.07118	0.6
164.37589	0.3
166.04993	0.7
166.08698	0.6
176.07047	2.0
178.05003	22.0
180.06570	4.6
180.08821	1.7
181.07172	0.7
181.08511	1.6
183.35379	0.4
188.03410	0.9
192.06560	9.2
194.08134	29.1
199.09665	0.4
204.06625	1.1
206.04500	29.6
208.09676	0.6
209.15407	0.4
220.06046	5.0
222.07648	1.6
236.09184	3.6
238.07077	3.9
254.10185	3.3
258.57080	0.3
264.08527	0.5
280.08191	3.4
288.71262	0.4
298.09235	1.3
306.09665	0.5
308.07678	3.5
310.09204	1.1
322.09207	6.2
324.10760	9.0
336.07169	0.8
350.08701	2.9
351.11749	1.1
352.10678	1.6
352.15921	0.5
366.11884	2.9
368.09671	4.3
384.12906	1.9
388.41068	0.4
396.09280	0.9
410.10831	20.9
418.15070	1.0
428.12079	1.1
436.07028	0.4
474.14877	0.8
548.17657	100.0
549.18414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05503	0.4
56.05033	0.6
65.03948	2.0
67.05514	0.4
69.03446	0.3
69.06728	0.3
69.07076	3.7
73.02923	2.3
73.06565	2.3
79.05493	0.7
79.95736	0.3
81.07068	1.1
84.08149	12.1
85.08468	1.8
91.05486	31.1
97.02901	0.5
97.06559	0.8
104.05009	0.3
106.06557	1.2
107.08592	0.6
109.06519	1.3
116.04970	0.3
116.50996	0.3
118.06609	0.3
119.04951	13.9
120.04479	0.8
121.02902	0.3
121.06515	1.2
121.08853	0.4
122.06895	0.4
130.08658	3.0
131.09000	0.5
132.04460	0.7
133.05209	0.3
134.06035	2.2
135.08067	0.5
137.05983	27.0
144.04443	1.8
150.05527	0.5
152.07101	1.1
160.03941	4.1
162.05507	8.8
163.07552	1.0
164.03387	0.4
166.08618	0.7
176.07097	1.9
177.05560	0.4
178.05008	7.8
178.06479	0.5
180.06575	4.0
181.07031	1.3
181.08617	0.5
188.03537	0.4
190.04994	0.3
191.05852	0.4
192.06566	5.3
194.08138	23.4
201.16510	0.3
204.06561	0.7
206.04504	5.3
208.09644	0.4
220.06096	1.8
222.07715	1.2
223.07967	0.8
229.59048	0.3
236.09187	0.7
238.07146	0.8
254.10184	1.8
274.10648	0.6
276.12393	0.9
280.08221	0.7
280.11798	0.3
290.13849	1.7
292.11777	7.4
294.13406	1.0
306.13373	13.4
307.13809	0.5
308.14926	29.9
320.11246	2.1
322.16559	0.7
334.12903	6.0
338.12357	0.8
350.15994	6.4
350.19968	0.5
351.15570	3.3
352.14273	8.4
362.12256	0.3
368.17065	5.8
380.13443	0.6
393.72147	0.4
394.15012	19.7
412.16095	1.6
474.19635	1.2
548.21313	100.0
549.21704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00950	0.7
54.52302	0.5
56.53933	0.7
57.32003	0.6
62.64275	0.5
63.59612	0.5
65.03937	3.2
69.07084	3.5
69.37563	5.5
73.02930	0.8
73.06545	1.9
79.05480	1.1
85.02913	3.1
91.05486	26.1
92.84962	0.6
97.02873	0.8
97.06417	0.6
106.06585	1.1
107.04971	0.7
108.49957	0.6
109.06522	1.2
115.03919	0.8
115.05381	0.6
119.04952	13.3
121.06509	1.2
122.03654	0.7
132.04501	1.1
134.06013	2.8
137.05981	42.8
143.04895	0.8
144.04485	1.9
147.04453	1.1
148.91269	0.6
150.05534	1.3
151.03961	0.7
152.07086	1.1
160.03946	6.7
162.05508	9.3
165.70795	0.6
167.07077	1.9
176.07057	2.4
178.04984	6.3
180.06560	2.9
181.04955	2.2
181.64507	0.7
188.03421	0.9
190.66904	0.6
191.07114	0.7
192.06555	9.4
194.08141	35.1
204.06648	0.8
206.04482	1.1
220.06082	4.1
231.70087	0.7
236.09219	2.4
238.07143	2.5
254.10365	2.1
276.12228	1.0
278.10226	1.0
280.08191	2.5
290.13858	0.9
292.11816	7.1
294.13370	4.5
298.09311	0.7
306.13391	8.2
308.14944	18.5
309.10919	1.0
310.11505	0.8
320.11368	2.3
334.12808	3.0
336.14450	1.5
338.12411	2.1
350.16083	3.6
351.11868	1.2
352.14056	13.1
357.13226	2.0
368.17114	2.4
374.48389	0.8
380.13367	6.8
387.14343	0.8
394.14981	10.8
402.81540	0.6
407.34641	0.6
412.16019	0.9
488.18787	0.7
548.21295	100.0
549.19745	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	548.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
53.03945	1.9
55.01868	0.5
57.03434	0.5
68.19913	0.4
71.05003	0.6
75.56012	0.4
77.03953	0.5
85.02911	9.4
87.04471	23.7
91.05489	7.8
93.07050	9.0
95.04963	1.8
103.05476	7.2
105.04515	1.5
106.06518	0.7
108.04477	0.6
113.02397	0.5
114.10292	0.5
118.06605	0.5
120.05730	3.4
120.08110	2.7
121.06508	42.2
121.08861	2.7
131.03413	0.8
134.05981	1.2
135.10431	0.6
136.07591	3.7
144.04527	0.6
145.05061	0.4
146.06007	0.9
147.06697	0.6
147.44815	0.4
148.07558	0.6
151.06242	0.5
158.05963	0.7
160.03973	2.0
162.05505	3.3
163.03914	1.1
163.58833	0.5
164.07065	7.6
165.07809	0.5
166.05023	0.9
170.05972	0.5
176.07089	1.9
178.05002	2.3
178.08632	7.9
179.05869	0.7
179.09422	6.1
180.06526	0.9
180.10249	1.7
188.07123	0.7
190.05020	0.7
190.08656	1.1
192.06577	2.9
193.10948	2.8
194.08131	10.2
202.08655	1.0
204.06587	1.8
205.07321	2.0
206.08168	1.8
206.11819	1.3
207.12547	4.5
214.05185	0.7
216.06596	1.2
218.08305	0.8
220.06071	1.4
220.09796	0.7
220.13382	1.5
222.07666	0.5
222.11255	3.5
225.09889	0.7
232.06158	0.5
233.10320	0.6
236.09296	1.3
238.07100	1.8
238.10789	1.9
239.11569	8.7
244.06010	0.5
246.07761	0.7
248.09056	0.7
250.07071	0.7
250.10760	6.0
252.08995	0.5
254.10254	1.5
262.10764	0.8
264.09061	1.0
264.12326	9.3
265.09711	1.4
265.13104	22.7
266.13922	0.8
268.08118	0.7
276.08841	0.5
277.09741	0.7
280.08179	1.4
282.09677	1.7
288.08823	0.4
291.10956	3.2
291.13742	0.5
292.11792	1.6
294.09668	0.6
298.12714	2.2
306.09692	0.7
308.07803	1.0
308.11145	0.6
309.12189	1.5
310.09256	1.2
310.12900	2.2
322.09088	2.2
324.10916	4.8
324.14398	1.1
342.11951	2.6
350.08533	0.9
350.12332	1.9
350.16376	0.4
366.11951	0.8
368.09641	1.6
368.13654	1.5
384.16763	2.4
396.12836	1.9
410.09851	6.2
410.14777	3.7
428.15985	2.6
429.17032	0.6
462.17447	0.9
474.17816	0.8
488.19070	1.2
493.79916	0.5
548.21796	100.0
549.21350	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.0
55.05501	2.0
57.03444	6.3
57.07055	1.4
65.03955	1.1
67.05498	7.1
69.03081	1.6
69.03433	24.2
69.07068	3.5
70.06627	1.0
71.01958	1.0
71.02299	1.5
73.02929	1.6
79.05497	4.6
81.03420	2.5
81.07053	9.7
85.02912	19.8
85.06534	1.1
87.04473	14.5
91.05495	8.9
93.07061	10.5
95.05011	1.6
95.08616	9.7
97.02901	19.2
98.97590	1.1
99.04441	1.4
99.90268	0.8
102.36832	1.0
103.05455	2.4
105.06400	1.2
105.07046	19.8
107.08602	11.5
109.02881	1.6
109.06535	1.6
109.10166	25.9
111.04453	0.9
115.03942	22.5
117.03397	2.9
117.07024	7.9
119.04924	1.0
119.08579	11.8
120.58008	1.1
121.06498	6.5
121.10167	6.6
122.06847	1.8
123.08071	0.9
123.11698	3.0
127.03915	3.0
129.06993	1.5
130.07776	1.8
131.08572	13.0
133.04964	23.9
133.10165	7.6
135.04405	1.0
135.08101	1.3
135.11726	3.8
137.05984	3.8
143.08577	3.2
144.09294	1.1
145.02847	5.7
145.04945	2.6
145.10132	41.2
146.03123	1.5
147.08095	0.9
147.11719	4.0
150.07690	1.1
157.10146	4.3
159.11699	27.1
161.13272	10.4
163.06056	1.0
163.11194	20.5
163.14774	1.2
165.05449	1.2
165.12717	1.8
167.07065	2.2
171.11757	1.7
173.13309	5.0
175.14888	1.3
177.05484	12.8
178.05869	5.4
180.06593	6.1
187.14764	2.5
191.14267	1.3
192.14702	1.0
194.08183	1.3
195.08440	1.1
199.14853	3.8
201.16394	100.0
203.17973	7.5
209.15381	2.4
210.15692	1.9
213.16307	1.0
217.15871	2.3
219.17451	40.5
237.18567	2.6
243.17438	2.6
246.14644	0.9
259.08112	2.5
277.08929	1.3
285.18488	0.9
295.10300	3.1
297.18552	1.9
308.14139	1.4
309.15323	1.1
310.09207	2.6
310.15460	0.9
315.19626	2.5
333.20718	6.7
351.21750	4.9
352.10187	6.6
352.16556	1.4
363.21722	2.0
381.22754	3.5
395.15378	1.5
396.15530	2.0
537.19287	0.9
548.24518	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	548.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.6
56.96560	3.8
57.03431	20.9
59.04981	5.1
60.79149	3.3
67.05493	9.8
68.89430	3.2
69.03082	4.7
69.03438	57.7
69.07053	11.3
70.59019	5.2
70.59367	8.5
71.04992	23.6
79.05487	9.1
81.03389	6.9
81.07062	38.3
83.04983	3.9
83.08585	4.4
84.04516	5.1
85.02911	53.0
85.06541	7.7
87.04471	36.0
91.05490	37.1
93.07057	28.4
95.04983	8.9
95.08591	18.8
97.02902	55.1
97.06516	9.3
97.10173	4.6
103.05412	4.3
105.04532	3.5
105.07034	81.3
107.08605	28.0
109.10145	20.4
111.08104	3.7
111.51295	4.0
115.03930	66.7
117.06977	4.4
119.04955	6.8
119.08589	34.9
121.06503	16.2
121.10172	20.3
123.11665	7.3
125.09648	48.9
127.03896	6.8
127.11210	29.4
131.04918	5.3
131.08553	18.4
133.04974	72.8
133.10144	82.8
135.11691	9.7
137.05997	29.4
138.05455	4.0
143.10681	97.1
145.02844	4.9
145.04935	9.1
145.10127	48.9
146.06021	6.7
147.00494	7.2
147.11690	33.6
149.13260	8.2
151.03902	16.0
151.11127	5.4
157.10143	5.5
159.11678	25.5
161.13245	14.1
163.03929	6.1
165.05440	4.1
167.07014	6.4
171.11681	3.5
173.13266	5.3
177.05482	15.6
178.05785	5.0
180.06546	9.9
181.04900	3.7
188.07091	7.7
189.07309	3.6
191.17902	4.4
201.16397	38.2
203.17958	8.1
219.17464	100.0
221.18997	5.1
226.02744	3.5
237.18469	20.2
295.10239	7.7
310.09070	4.9
315.19244	5.4
323.02661	3.6
351.25479	3.9
352.10233	9.4
517.10406	3.5
548.21515	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	548.3715
Annotation	LysoPC(20:2)
Peak:m/z	Relative Intensity
55.05515	1.0
56.05035	1.4
57.03437	0.4
57.17751	0.2
58.06576	1.4
60.08166	16.6
60.74330	0.2
61.08247	0.2
65.03937	0.3
67.05512	2.9
69.07058	1.2
70.06596	0.3
70.75040	0.6
71.07378	6.2
77.92201	0.2
79.05501	1.0
81.07064	2.4
83.08640	0.6
86.09710	53.0
91.05491	0.3
93.07034	1.0
95.08610	2.2
98.98468	4.1
104.10748	100.0
104.66324	0.2
105.07007	0.4
105.11078	0.2
107.08614	0.6
109.10190	0.8
119.63853	0.2
121.10150	0.4
123.11760	0.3
125.00011	29.4
133.10054	0.3
135.11635	0.2
143.01129	0.2
154.21510	0.2
163.01607	0.5
184.07350	96.9
213.00159	0.7
240.09804	0.3
258.11075	1.0
280.08780	0.2
296.69177	0.2
365.30676	0.7
507.25732	0.3
530.36078	8.7
548.37152	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.05045	0.4
56.37585	0.1
57.03440	0.1
58.06354	0.2
58.06624	0.4
60.08166	5.8
67.05518	0.7
69.07071	0.3
70.61929	0.3
71.07376	2.7
71.08607	0.2
79.05499	0.2
81.07063	0.7
83.08617	0.2
86.09708	28.7
88.03989	0.2
91.05488	0.2
93.07039	0.3
95.08598	0.6
95.87196	0.1
97.10147	0.1
98.98468	3.1
104.10751	2.8
107.08604	0.1
109.10168	0.2
116.28140	0.1
121.06490	0.3
125.00011	20.4
136.93037	0.2
154.94160	0.5
163.01576	0.2
166.02728	0.1
168.86404	0.1
172.95239	0.4
184.07346	100.0
185.07785	0.2
213.00079	0.2
228.97826	0.1
258.10922	0.2
289.10693	0.1
338.20895	0.2
430.13550	0.1
474.19873	0.3
507.25684	0.2
530.36279	1.0
548.23419	0.4
548.37164	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	549.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58430	0.5
53.03950	3.0
55.01872	1.0
55.34723	0.6
60.11844	0.6
63.81367	0.6
65.03921	0.9
67.05508	5.1
69.03432	2.7
71.56180	0.9
77.03923	0.8
79.05489	3.5
81.03423	3.4
81.07041	0.9
85.02905	3.0
89.03917	8.5
91.05481	2.6
94.04171	1.0
95.04977	31.1
97.02882	1.6
103.05418	0.7
103.28233	0.6
105.04494	1.1
107.04962	3.4
108.05370	0.6
109.02892	1.9
109.06512	1.8
117.03382	9.8
119.04965	1.4
121.02818	0.6
121.06514	2.2
122.03667	1.2
123.04434	12.8
127.03927	1.9
129.07085	0.6
133.02919	1.1
135.04424	18.2
137.05988	20.3
143.04912	1.5
145.02853	12.3
147.04405	3.5
151.03912	44.3
151.04935	1.6
151.07468	2.9
161.06087	0.6
163.03917	100.0
165.05486	55.6
167.07091	0.7
175.03914	1.7
175.07556	1.6
176.07104	0.8
177.05603	0.9
177.07326	0.7
180.59071	0.6
181.04958	1.7
183.06551	8.2
186.06798	2.3
189.09171	1.7
193.05000	9.6
203.07048	1.1
207.06523	0.9
217.08646	2.0
221.08035	1.2
225.07631	2.6
235.09370	0.7
271.05981	1.2
282.11279	0.9
283.11636	2.1
287.05606	0.8
299.32547	0.7
300.12311	1.5
301.12640	3.1
307.07953	3.4
309.37512	0.6
341.13879	8.4
357.13098	0.7
369.13358	19.5
387.14212	0.7
517.13263	0.8
549.19531	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	549.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01880	1.7
57.03431	1.7
65.03941	1.5
67.01865	0.8
67.05508	1.0
69.03442	4.6
70.06599	1.0
71.04994	1.0
71.59586	1.1
79.05493	2.7
81.03428	6.5
81.07053	1.3
85.02917	12.5
86.03236	1.2
87.00829	1.0
89.03916	5.2
91.05484	10.6
93.03365	0.8
93.07043	1.2
95.04976	5.7
97.02892	8.5
99.04450	1.9
103.05458	1.2
105.01897	0.8
105.07039	2.5
107.04948	2.9
107.08612	1.3
107.22155	0.8
109.02892	10.5
109.06538	1.2
111.04460	0.9
115.05455	1.7
117.03371	9.1
117.07008	0.9
119.04943	16.8
119.08583	1.5
121.06522	4.6
122.03639	2.2
123.04434	2.8
124.05221	0.9
125.05979	1.8
127.03925	10.9
128.06178	0.7
129.07010	1.0
131.04932	1.6
135.04431	14.3
135.08067	1.1
137.05988	36.0
138.06378	1.1
143.04903	5.3
145.02856	15.8
145.04849	0.6
145.06512	1.4
147.04419	64.8
149.05977	1.4
151.03914	16.5
151.05069	0.9
151.07518	3.5
152.04797	1.4
153.05484	1.6
155.07016	0.8
161.06000	2.4
163.03918	100.0
164.63954	0.7
165.05490	26.2
165.06862	1.5
167.07057	19.6
169.15128	0.8
174.06828	0.9
175.03941	1.5
175.07547	3.4
177.05490	8.6
177.08980	0.9
178.04987	1.8
179.07079	1.5
180.06586	6.5
181.04970	4.1
181.06848	2.8
181.08556	1.1
186.06799	1.1
189.09123	1.4
191.07072	1.6
193.05006	2.4
193.08598	1.3
199.07584	1.0
203.07016	2.3
205.08609	1.9
206.04503	3.1
207.04907	1.8
207.06544	3.7
207.13730	1.3
217.08612	2.1
222.07597	1.1
225.07596	3.3
229.08665	0.8
233.08101	3.1
245.08092	1.3
297.10886	0.9
303.10419	1.0
307.08151	1.4
310.09198	2.2
311.09637	2.5
325.09396	0.8
335.12924	1.3
339.12274	1.0
341.13794	5.0
347.12775	1.2
352.10199	4.5
352.42502	0.8
353.10568	9.0
357.13388	4.4
357.16974	0.8
369.13297	8.2
387.14386	4.9
395.09714	4.8
411.09296	11.9
432.56009	0.9
475.13776	0.9
549.19672	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	549.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
53.03936	0.4
53.34494	0.2
55.01876	0.5
55.05484	0.2
57.03410	0.5
65.03932	1.1
67.05491	0.3
67.64327	0.2
69.03429	2.2
69.29131	2.0
71.01334	0.3
71.04987	0.4
73.02910	0.3
78.04715	0.2
79.05485	0.6
81.03419	1.2
85.02441	0.2
85.02914	2.7
87.04424	0.3
91.05478	2.5
94.04174	2.0
95.01338	0.2
95.04951	0.8
97.02877	1.1
97.06554	0.3
98.21454	0.5
99.04477	0.2
103.05458	1.8
105.07015	0.7
107.04955	0.9
108.02100	0.2
109.02859	0.5
109.06518	0.5
111.40858	0.2
115.05463	1.6
117.07016	1.9
119.04958	1.4
119.08585	0.3
121.02847	0.2
122.03654	5.6
123.04427	0.5
125.05965	0.3
127.03906	0.6
127.05465	0.3
129.06972	0.3
130.04247	0.2
131.04929	1.9
133.06474	0.5
133.10112	0.3
137.05980	100.0
138.06273	0.3
139.03906	0.3
142.02592	0.3
143.04935	3.2
145.02823	0.3
145.06494	2.1
147.04387	0.4
147.08049	0.7
148.05159	0.3
149.02284	0.3
149.05966	0.3
151.03926	5.0
151.05016	0.6
151.07584	0.2
153.05507	0.6
155.06017	0.6
159.08121	0.3
161.05978	1.1
163.03896	0.4
163.07558	1.1
167.03415	2.2
167.07039	8.7
171.04405	0.3
171.06578	0.4
171.08038	0.3
173.06012	3.6
175.07524	1.8
177.05518	0.4
177.09071	0.3
179.07005	0.5
181.04964	14.4
183.06483	0.2
187.07552	0.5
189.05537	0.2
191.07011	3.1
203.06953	1.2
205.08594	2.6
207.10158	0.3
209.04506	0.5
217.08585	0.2
221.08066	0.4
233.07997	1.0
235.09665	2.7
237.08960	0.3
267.68423	0.3
269.11682	0.3
271.06046	3.7
277.08752	0.3
286.04630	0.5
295.09818	0.3
297.11304	0.3
301.07047	2.1
325.10596	0.3
337.10840	0.2
345.09824	1.0
355.11728	0.3
357.13324	10.2
387.14389	6.8
517.18518	4.2
519.18683	0.9
549.19702	38.6
550.20001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01877	0.4
55.05491	0.3
57.03430	0.5
65.03936	0.8
67.05493	0.5
69.03441	1.4
70.88116	0.5
73.02912	0.4
79.05507	0.6
81.03407	0.9
81.07035	0.5
82.04198	0.3
85.02909	2.9
91.05485	2.9
92.05811	0.3
93.03370	0.3
94.04188	1.9
95.04959	0.6
97.02893	1.3
103.05468	2.0
105.07032	0.8
107.04945	0.8
108.02159	0.3
109.02879	0.3
110.03689	0.5
115.05460	1.9
117.07042	2.1
117.91592	0.3
118.04233	0.3
119.04949	1.3
121.06464	0.3
122.03655	5.1
123.04434	0.4
124.05297	0.4
125.06022	0.4
129.37080	0.3
131.04935	1.8
133.06462	0.7
135.04449	0.4
137.05980	100.0
138.06352	0.4
142.02618	0.3
143.04948	3.3
145.06494	2.3
147.04433	2.1
147.08055	0.4
148.05203	0.7
151.03903	6.4
151.05005	0.5
151.07547	0.6
153.05495	0.9
155.06064	0.8
161.05928	1.3
163.03963	0.4
163.07515	1.5
164.25403	0.2
165.05528	0.6
167.07036	8.6
171.06587	0.4
173.05981	4.2
175.07550	1.5
177.05484	0.9
177.09123	0.3
179.07033	0.4
181.04959	15.3
187.07547	0.3
189.05492	0.4
191.07021	5.3
191.08597	0.5
193.08615	0.5
194.08203	1.1
195.08446	0.7
203.07030	1.5
205.08633	2.4
221.08118	0.5
233.08051	1.4
235.09679	3.1
263.09222	0.4
267.93674	0.3
277.08545	0.3
287.15799	0.3
293.12079	0.4
296.29593	0.3
306.08633	0.3
307.09738	0.6
308.14972	0.4
309.15146	0.4
321.11481	0.3
325.10507	0.4
353.14371	0.5
357.13348	12.6
369.13208	0.5
387.14413	9.4
517.18756	3.0
519.18549	0.7
549.19751	54.7
577.12000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
53.03936	0.4
53.34494	0.2
55.01876	0.5
55.05484	0.2
57.03410	0.5
65.03932	1.1
67.05491	0.3
67.64327	0.2
69.03429	2.2
69.29131	2.0
71.01334	0.3
71.04987	0.4
73.02910	0.3
78.04715	0.2
79.05485	0.6
81.03419	1.2
85.02441	0.2
85.02914	2.7
87.04424	0.3
91.05478	2.5
94.04174	2.0
95.01338	0.2
95.04951	0.8
97.02877	1.1
97.06554	0.3
98.21454	0.5
99.04477	0.2
103.05458	1.8
105.07015	0.7
107.04955	0.9
108.02100	0.2
109.02859	0.5
109.06518	0.5
111.40858	0.2
115.05463	1.6
117.07016	1.9
119.04958	1.4
119.08585	0.3
121.02847	0.2
122.03654	5.6
123.04427	0.5
125.05965	0.3
127.03906	0.6
127.05465	0.3
129.06972	0.3
130.04247	0.2
131.04929	1.9
133.06474	0.5
133.10112	0.3
137.05980	100.0
138.06273	0.3
139.03906	0.3
142.02592	0.3
143.04935	3.2
145.02823	0.3
145.06494	2.1
147.04387	0.4
147.08049	0.7
148.05159	0.3
149.02284	0.3
149.05966	0.3
151.03926	5.0
151.05016	0.6
151.07584	0.2
153.05507	0.6
155.06017	0.6
159.08121	0.3
161.05978	1.1
163.03896	0.4
163.07558	1.1
167.03415	2.2
167.07039	8.7
171.04405	0.3
171.06578	0.4
171.08038	0.3
173.06012	3.6
175.07524	1.8
177.05518	0.4
177.09071	0.3
179.07005	0.5
181.04964	14.4
183.06483	0.2
187.07552	0.5
189.05537	0.2
191.07011	3.1
203.06953	1.2
205.08594	2.6
207.10158	0.3
209.04506	0.5
217.08585	0.2
221.08066	0.4
233.07997	1.0
235.09665	2.7
237.08960	0.3
267.68423	0.3
269.11682	0.3
271.06046	3.7
277.08752	0.3
286.04630	0.5
295.09818	0.3
297.11304	0.3
301.07047	2.1
325.10596	0.3
337.10840	0.2
345.09824	1.0
355.11728	0.3
357.13324	10.2
387.14389	6.8
517.18518	4.2
519.18683	0.9
549.19702	38.6
550.20001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01877	0.4
55.05491	0.3
57.03430	0.5
65.03936	0.8
67.05493	0.5
69.03441	1.4
70.88116	0.5
73.02912	0.4
79.05507	0.6
81.03407	0.9
81.07035	0.5
82.04198	0.3
85.02909	2.9
91.05485	2.9
92.05811	0.3
93.03370	0.3
94.04188	1.9
95.04959	0.6
97.02893	1.3
103.05468	2.0
105.07032	0.8
107.04945	0.8
108.02159	0.3
109.02879	0.3
110.03689	0.5
115.05460	1.9
117.07042	2.1
117.91592	0.3
118.04233	0.3
119.04949	1.3
121.06464	0.3
122.03655	5.1
123.04434	0.4
124.05297	0.4
125.06022	0.4
129.37080	0.3
131.04935	1.8
133.06462	0.7
135.04449	0.4
137.05980	100.0
138.06352	0.4
142.02618	0.3
143.04948	3.3
145.06494	2.3
147.04433	2.1
147.08055	0.4
148.05203	0.7
151.03903	6.4
151.05005	0.5
151.07547	0.6
153.05495	0.9
155.06064	0.8
161.05928	1.3
163.03963	0.4
163.07515	1.5
164.25403	0.2
165.05528	0.6
167.07036	8.6
171.06587	0.4
173.05981	4.2
175.07550	1.5
177.05484	0.9
177.09123	0.3
179.07033	0.4
181.04959	15.3
187.07547	0.3
189.05492	0.4
191.07021	5.3
191.08597	0.5
193.08615	0.5
194.08203	1.1
195.08446	0.7
203.07030	1.5
205.08633	2.4
221.08118	0.5
233.08051	1.4
235.09679	3.1
263.09222	0.4
267.93674	0.3
277.08545	0.3
287.15799	0.3
293.12079	0.4
296.29593	0.3
306.08633	0.3
307.09738	0.6
308.14972	0.4
309.15146	0.4
321.11481	0.3
325.10507	0.4
353.14371	0.5
357.13348	12.6
369.13208	0.5
387.14413	9.4
517.18756	3.0
519.18549	0.7
549.19751	54.7
577.12000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01884	0.5
56.76889	0.2
57.03414	0.6
58.42463	0.2
65.03943	1.2
66.04720	0.5
67.05479	0.3
69.03428	1.9
69.73469	0.7
69.73883	0.4
70.06577	0.4
72.04518	1.4
73.02900	0.5
79.05480	0.7
81.03407	0.9
81.07047	0.3
84.07594	0.2
84.08109	0.2
85.02906	3.0
87.04461	0.6
91.05489	4.0
94.04190	2.1
97.02912	1.5
105.06982	0.2
107.04957	0.7
109.02856	0.3
109.06517	0.3
115.05463	1.3
117.07033	1.6
119.04963	1.6
122.03658	6.5
123.04452	0.5
124.66740	0.2
127.03953	0.5
127.52333	0.2
137.05986	100.0
138.03209	0.2
138.06322	0.4
142.02647	0.4
143.03862	0.2
143.04913	3.6
145.06485	1.9
147.08028	0.4
151.03920	2.1
151.05009	0.4
153.05486	0.4
155.06046	0.9
160.03909	0.3
161.05928	0.5
162.05521	0.6
164.15561	0.2
167.07060	8.6
171.04407	0.3
171.06657	0.2
173.06009	3.7
175.07547	1.2
176.07057	0.2
177.05527	0.2
178.04999	0.4
181.04973	14.0
189.05290	0.3
192.06622	0.5
194.08138	2.5
201.05536	0.2
203.07047	1.2
205.08571	2.6
207.10222	0.3
220.09734	0.5
221.08136	0.3
225.07512	0.3
233.08000	1.2
235.09656	3.3
249.08876	0.3
254.10287	0.4
263.10422	0.8
265.11819	1.6
280.08282	0.3
292.08273	0.5
293.08133	0.2
307.09488	0.4
309.11038	0.4
317.61298	0.2
351.12143	0.7
357.13339	11.8
376.03940	0.2
387.09549	0.4
387.14417	7.5
387.19125	0.4
395.10934	1.2
419.10843	0.3
505.18320	0.6
519.18799	0.7
532.14294	0.5
549.19690	48.3
550.20160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.88241	0.3
55.01879	0.5
55.05505	0.4
61.01123	0.6
63.32772	0.3
67.05505	1.3
69.03456	1.9
69.30456	0.5
69.30858	2.7
70.06578	0.4
70.14527	0.4
70.85126	0.3
71.04979	0.7
73.02894	0.4
79.05495	1.5
81.03416	2.5
81.07059	0.9
83.04952	0.5
84.08174	0.3
85.02914	2.7
87.02715	0.7
89.03916	3.7
91.05481	1.3
93.04143	0.3
93.07047	0.8
95.04956	1.2
95.08607	2.5
97.02868	1.4
97.03432	0.3
98.66159	0.3
103.05468	0.5
105.07035	0.9
107.04941	1.7
107.08587	1.0
109.02892	0.9
109.06539	0.5
115.05502	0.4
117.03386	6.8
119.04915	0.6
119.08565	1.0
121.06496	1.0
121.10149	0.4
122.03639	0.9
123.04453	0.5
123.08102	1.4
127.03914	0.8
131.04945	0.7
133.03203	2.1
133.10146	0.9
135.04420	12.9
137.05984	12.5
143.04988	0.4
143.10672	0.8
145.02844	11.4
147.04388	0.9
147.11703	0.5
149.09593	1.8
151.03928	4.8
151.05052	0.4
151.07620	1.1
153.01846	2.7
161.05891	0.4
161.13287	0.4
163.03914	100.0
165.05507	2.4
167.07085	1.9
167.08264	0.3
173.06049	0.4
175.07576	0.5
177.05531	2.0
177.09062	0.5
181.04948	7.1
186.06786	0.5
189.09125	0.4
189.12735	1.2
191.07040	0.5
193.05013	0.4
201.16467	0.4
207.13811	4.0
217.08609	0.5
219.17439	1.0
225.07635	0.5
242.50587	0.3
271.06039	16.9
286.04501	0.5
287.05515	43.8
288.05615	0.4
301.07086	1.7
307.08105	3.2
325.09225	5.1
327.63806	0.3
341.14053	2.1
351.12430	0.6
355.38562	0.4
357.13397	1.1
369.13397	4.0
387.14258	1.1
412.10468	0.4
484.39093	0.4
531.14850	1.4
549.20483	3.8
550.17511	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
53.28009	1.0
55.01865	3.2
55.05510	7.1
57.03426	4.2
57.07077	2.1
61.02926	2.2
67.05506	34.5
68.99769	1.3
69.03083	0.9
69.03436	12.1
69.07069	12.0
69.56036	4.1
69.56450	2.4
71.05001	7.5
73.02892	2.7
74.71780	0.9
79.05497	7.2
81.03427	8.0
81.06580	2.1
81.07061	41.8
83.08629	8.2
85.02909	27.6
85.06555	2.0
87.00838	13.2
91.05468	1.7
93.07041	10.6
95.04983	1.2
95.08611	100.0
97.02890	10.0
97.10181	4.5
99.04462	5.2
99.08097	1.2
101.66003	0.9
105.01875	9.0
105.06980	1.2
107.08613	6.8
109.02884	7.5
109.09464	1.7
109.10167	21.5
111.11773	1.5
113.09653	58.8
117.01860	1.3
119.08615	0.9
121.06554	5.2
121.10168	8.6
123.11706	10.2
127.03090	1.3
127.03930	16.4
129.01799	1.2
133.10135	1.4
135.11722	7.6
137.13263	5.8
145.04945	6.7
147.02998	0.9
149.13235	4.3
151.14807	3.2
159.02878	4.6
163.14832	4.2
165.16344	2.1
165.49315	0.9
177.16374	2.3
188.07021	1.2
191.18019	1.4
199.16911	1.7
213.04008	1.1
231.05017	2.7
247.24231	4.1
263.23529	1.1
265.25281	20.4
281.81250	0.9
283.26324	51.0
301.27518	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01873	1.0
57.03433	1.7
58.99582	2.4
59.96722	0.9
61.01154	26.5
65.03938	0.7
67.05508	0.8
69.03430	2.5
71.04990	1.0
71.58554	0.6
74.99062	2.1
75.02707	2.7
77.00630	1.9
79.05484	1.1
81.03416	2.3
81.07062	0.9
83.04979	0.9
85.00707	0.5
85.01123	2.9
85.02906	8.9
85.06551	0.6
87.02696	41.3
89.03920	2.2
91.02177	1.0
91.05486	5.5
93.07056	4.8
95.04969	2.0
95.08614	1.7
96.08929	0.6
97.02886	1.9
99.04433	0.7
103.05483	3.8
105.00104	3.6
105.03735	4.5
105.04375	0.8
105.07037	0.8
106.07303	0.7
107.04950	1.6
107.08655	0.7
109.02873	1.8
109.10152	0.8
115.02148	0.6
117.03396	3.5
118.03694	1.0
119.04949	3.1
119.08597	1.0
121.06510	18.9
121.10092	0.8
122.03598	0.6
122.94256	0.5
123.08037	0.7
127.03941	1.1
131.04985	0.6
133.03195	100.0
133.10133	1.1
135.04434	7.9
135.11668	0.7
136.04764	2.2
137.05984	10.6
138.06357	4.3
141.09862	0.6
145.02858	6.4
146.03198	3.3
147.04410	14.8
147.11671	0.7
149.09639	0.7
151.03938	4.1
151.07501	0.7
152.04280	1.3
153.01839	2.1
163.03912	49.7
164.04248	24.4
165.05478	2.4
165.09137	0.5
167.07042	2.0
175.07594	0.7
176.07896	0.7
177.05479	1.3
178.06061	0.6
179.48949	0.6
181.04959	5.3
182.05354	2.5
186.95105	0.6
192.06512	1.1
194.08197	2.0
207.13803	1.3
208.14143	1.2
220.06064	0.6
225.07693	0.6
231.43646	0.5
238.07121	0.8
271.06012	7.9
272.06335	13.7
280.08069	1.3
287.05524	20.2
288.05856	26.7
301.07083	1.0
302.07465	0.9
307.08286	1.0
308.08542	1.2
324.09088	1.0
325.09180	1.4
326.09622	1.4
341.13684	1.2
342.14163	1.6
358.13568	0.7
369.13110	1.1
370.09531	0.9
370.13696	4.2
390.99310	0.6
395.09637	3.5
412.10638	11.8
418.14862	1.9
532.15430	2.2
550.17352	74.9
551.17767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96578	0.2
53.03941	1.0
57.03413	0.3
61.01146	0.5
62.17624	0.3
62.95367	0.2
65.03934	0.7
67.01860	0.9
67.05492	0.3
69.03431	1.7
71.04986	0.7
71.39629	0.2
72.08197	0.3
73.63044	0.3
78.83615	0.3
81.03426	3.6
85.02908	2.0
87.00836	0.5
87.02690	0.9
88.02164	0.3
91.05487	7.7
93.07036	0.3
95.04946	0.8
97.02900	5.0
99.04461	0.7
101.77785	0.3
109.02215	0.5
109.02891	6.0
115.05379	0.3
119.04952	20.6
121.06525	3.3
123.04499	0.3
123.90037	0.3
127.03927	4.9
133.03191	1.3
138.13635	0.3
147.04417	100.0
148.04793	0.6
151.03923	0.8
152.04219	0.4
158.76302	0.3
159.08102	0.3
162.54669	0.2
163.03932	1.4
164.04260	1.0
165.05476	7.4
208.09657	0.3
213.03896	0.4
275.21225	0.3
285.11353	0.6
291.08646	1.2
335.02713	0.3
340.03781	0.3
377.08838	0.4
395.09756	24.9
412.10544	0.3
550.18689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96578	0.2
53.03941	1.0
57.03413	0.3
61.01146	0.5
62.17624	0.3
62.95367	0.2
65.03934	0.7
67.01860	0.9
67.05492	0.3
69.03431	1.7
71.04986	0.7
71.39629	0.2
72.08197	0.3
73.63044	0.3
78.83615	0.3
81.03426	3.6
85.02908	2.0
87.00836	0.5
87.02690	0.9
88.02164	0.3
91.05487	7.7
93.07036	0.3
95.04946	0.8
97.02900	5.0
99.04461	0.7
101.77785	0.3
109.02215	0.5
109.02891	6.0
115.05379	0.3
119.04952	20.6
121.06525	3.3
123.04499	0.3
123.90037	0.3
127.03927	4.9
133.03191	1.3
138.13635	0.3
147.04417	100.0
148.04793	0.6
151.03923	0.8
152.04219	0.4
158.76302	0.3
159.08102	0.3
162.54669	0.2
163.03932	1.4
164.04260	1.0
165.05476	7.4
208.09657	0.3
213.03896	0.4
275.21225	0.3
285.11353	0.6
291.08646	1.2
335.02713	0.3
340.03781	0.3
377.08838	0.4
395.09756	24.9
412.10544	0.3
550.18689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03949	1.2
53.42808	0.2
54.01114	0.2
56.04495	0.2
56.33371	0.2
71.40218	0.3
77.03941	0.5
79.05497	15.1
81.07036	0.2
91.05477	2.3
93.07046	3.5
95.04978	1.0
103.05473	58.5
105.04532	0.6
105.07031	1.8
107.04960	24.4
120.04444	0.3
121.05242	0.3
121.06512	14.1
131.04935	25.8
148.03935	0.3
149.06004	2.8
151.06314	0.4
152.07057	1.1
156.55978	0.2
164.07118	0.3
166.05002	3.2
180.06563	37.1
194.08127	0.6
208.06049	0.8
222.07625	6.7
232.82655	0.2
255.54129	0.2
312.12271	0.3
314.10202	4.8
317.95004	0.2
328.11807	40.3
342.13348	0.7
356.11279	3.5
370.12866	100.0
371.13205	0.8
430.14566	0.3
434.16171	1.0
456.26102	0.3
476.17081	14.2
508.19611	0.9
518.85693	0.2
549.43219	0.2
550.20636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03949	1.2
59.76849	0.2
62.15516	0.2
62.82215	0.2
65.00948	0.2
67.60375	0.2
69.62370	1.4
72.41715	0.2
77.03940	0.4
79.05496	15.3
80.42797	0.2
81.03417	0.3
81.07086	0.2
85.02926	0.2
91.05498	2.2
91.06013	0.3
93.07043	3.4
95.04967	1.2
98.21490	0.3
103.05474	58.3
104.05803	0.2
105.04499	0.5
105.07050	2.2
107.04961	23.9
121.06513	13.6
131.04936	27.5
133.03143	0.2
137.05989	0.3
142.28754	0.2
148.03899	0.5
149.06004	2.8
151.06320	0.6
152.07088	1.2
164.07114	0.3
166.05013	3.0
177.92085	0.2
178.08621	0.5
180.06566	36.7
181.07057	0.2
187.40504	0.2
194.08224	0.4
203.18048	0.3
208.06058	0.8
221.18912	0.3
222.07626	7.0
314.10263	4.2
314.13892	0.3
328.11810	40.8
329.12250	0.2
342.13263	0.4
356.11322	3.3
370.12869	100.0
371.13214	0.8
430.14807	0.2
434.16113	0.9
476.17078	13.6
490.18826	0.3
508.19614	0.7
550.21057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01867	3.4
55.05514	7.3
59.04985	1.6
60.08177	14.5
60.51605	1.6
65.03936	1.5
67.05507	4.9
67.61874	1.8
69.03431	4.8
69.07077	2.1
70.82584	4.7
71.04996	7.5
71.07374	5.9
79.05485	10.7
81.03425	7.2
81.07064	5.3
83.04978	3.3
85.02901	4.6
86.09714	40.2
91.05468	9.7
93.07040	13.8
93.28796	1.8
95.04992	3.7
95.08569	2.1
97.02903	2.4
97.06541	4.3
98.21281	2.0
98.98425	3.4
99.04465	7.0
103.05498	3.9
104.10752	78.6
105.07034	14.1
107.04984	3.8
109.02897	3.7
117.07027	7.1
119.04963	1.8
119.08575	3.2
121.06522	35.2
122.06841	2.3
125.00014	25.6
125.06001	3.7
127.03967	2.3
129.07062	2.4
130.07808	2.5
131.08571	7.7
133.06528	2.8
133.10150	4.9
135.04419	1.9
135.08115	1.7
137.06032	2.1
141.06981	2.9
143.08636	2.1
144.09317	4.1
145.06477	11.5
145.10136	43.8
146.06050	2.9
154.07726	2.3
155.08585	2.0
157.10133	3.0
158.07256	12.8
159.08084	11.8
159.11714	20.9
169.10126	4.9
171.08055	2.6
172.08836	5.3
173.09650	62.4
184.07350	100.0
187.11208	37.4
187.12833	3.7
188.07060	2.4
190.08676	4.1
197.09631	5.0
205.12242	13.3
215.10692	32.1
233.11748	71.0
240.36447	1.7
251.12688	1.8
377.15939	10.5
395.17014	24.3
415.53271	2.2
452.24057	7.5
532.30164	6.8
550.22943	4.5
550.31366	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	550.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05510	1.2
57.03439	3.4
58.99587	2.7
59.05005	0.5
61.01154	20.2
61.02914	0.5
65.03931	0.7
67.05511	1.9
69.03074	0.7
69.03435	9.4
69.07073	4.1
69.86742	2.1
70.06579	0.6
71.05000	4.5
72.00376	0.6
73.02914	0.6
74.99059	1.3
75.02708	2.6
77.00619	1.8
79.05493	4.1
81.03420	1.4
81.07063	23.2
83.04993	0.6
84.08138	2.0
85.01130	1.6
85.02914	13.4
87.02700	31.8
87.04472	7.2
89.04261	1.5
91.02165	0.9
91.05492	6.5
93.07052	6.9
94.85757	0.5
95.08618	5.8
97.02897	10.0
97.06538	0.8
98.21487	0.6
98.97580	0.6
99.08116	1.0
103.05476	3.8
105.00119	3.0
105.03192	0.4
105.03761	4.2
105.07040	14.2
107.04974	1.6
107.07943	0.8
107.08607	7.5
109.10161	10.4
113.09658	0.7
115.02196	0.7
115.03934	12.9
117.07027	0.9
119.04949	2.0
119.08591	28.5
121.06528	3.0
121.10152	2.4
123.11716	4.2
127.03937	1.3
127.11195	10.5
130.08635	2.5
130.15926	0.8
131.04965	1.8
133.03201	100.0
133.04803	13.3
133.10135	5.9
134.03551	0.6
135.11707	16.9
137.05997	8.4
143.10762	1.0
145.02850	0.5
145.04984	1.8
145.10239	0.6
147.11707	6.5
149.13283	2.3
151.03915	0.9
161.13283	2.1
163.14842	0.7
164.06995	0.7
167.07040	0.7
175.07571	0.6
175.14864	0.8
177.05476	0.8
177.16357	0.6
178.05775	0.5
180.06564	5.1
203.17970	21.5
219.01985	0.5
221.19022	55.7
222.07622	1.9
239.20135	2.5
259.08173	1.5
277.08969	0.6
295.10327	1.3
312.09039	3.2
328.11819	2.3
336.02579	0.5
340.08600	0.9
348.76505	0.4
354.10077	69.9
355.10559	0.6
370.12689	4.3
476.13666	11.1
518.18848	1.1
550.21643	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	550.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72639	2.7
53.03941	6.3
55.01870	3.1
55.05502	10.2
56.96574	3.5
57.03445	15.8
57.07051	2.7
59.04997	6.5
61.82672	2.6
67.05505	23.6
69.03433	70.1
69.07076	29.2
70.06580	4.2
71.05002	18.5
71.13202	5.1
72.08166	15.2
73.02930	4.3
73.08504	4.2
74.09734	2.9
79.05512	15.8
81.03423	8.8
81.07062	73.7
82.24762	2.7
83.08635	4.6
84.08148	3.1
85.02915	54.2
86.09719	15.7
87.04474	57.9
88.34578	2.5
91.05495	18.6
93.07056	43.8
95.04983	4.4
95.08615	51.4
97.02904	68.7
97.10162	3.3
99.04453	15.8
103.05484	4.3
104.10752	6.8
105.07040	51.5
107.04963	4.2
107.08611	39.3
109.02879	6.4
109.06562	3.4
109.10167	42.2
111.11804	3.2
115.03940	92.1
116.14371	2.7
119.04958	5.3
119.08588	31.5
121.06513	50.8
121.10166	45.7
122.06863	6.4
123.08106	3.2
123.11716	23.8
125.00029	13.2
127.03942	16.2
128.06215	3.6
133.04977	100.0
133.10138	37.5
135.10677	4.6
135.11707	82.9
137.06049	2.7
143.08548	2.7
145.04996	9.5
145.10127	5.5
147.04453	18.6
147.11694	33.0
149.13287	11.9
161.09630	37.4
161.13261	10.5
163.03972	6.5
163.11203	5.6
163.14847	3.3
164.07129	4.3
175.14792	3.0
179.05545	13.3
179.10675	18.5
184.07358	56.4
189.07532	2.8
189.09148	6.6
194.08159	4.5
195.08904	10.8
196.32338	2.7
203.17967	51.8
205.19519	11.0
207.10181	11.4
208.09708	3.9
221.18921	3.5
225.11272	15.3
259.08258	5.6
277.09143	3.8
295.10318	5.8
340.16669	2.8
351.14389	4.6
370.11404	24.6
426.23669	2.7
433.26767	3.2
490.70416	2.8
491.02713	2.8
532.30707	4.1
550.18744	4.8
550.32135	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	550.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72639	2.7
53.03941	6.3
55.01870	3.1
55.05502	10.2
56.96574	3.5
57.03445	15.8
57.07051	2.7
59.04997	6.5
61.82672	2.6
67.05505	23.6
69.03433	70.1
69.07076	29.2
70.06580	4.2
71.05002	18.5
71.13202	5.1
72.08166	15.2
73.02930	4.3
73.08504	4.2
74.09734	2.9
79.05512	15.8
81.03423	8.8
81.07062	73.7
82.24762	2.7
83.08635	4.6
84.08148	3.1
85.02915	54.2
86.09719	15.7
87.04474	57.9
88.34578	2.5
91.05495	18.6
93.07056	43.8
95.04983	4.4
95.08615	51.4
97.02904	68.7
97.10162	3.3
99.04453	15.8
103.05484	4.3
104.10752	6.8
105.07040	51.5
107.04963	4.2
107.08611	39.3
109.02879	6.4
109.06562	3.4
109.10167	42.2
111.11804	3.2
115.03940	92.1
116.14371	2.7
119.04958	5.3
119.08588	31.5
121.06513	50.8
121.10166	45.7
122.06863	6.4
123.08106	3.2
123.11716	23.8
125.00029	13.2
127.03942	16.2
128.06215	3.6
133.04977	100.0
133.10138	37.5
135.10677	4.6
135.11707	82.9
137.06049	2.7
143.08548	2.7
145.04996	9.5
145.10127	5.5
147.04453	18.6
147.11694	33.0
149.13287	11.9
161.09630	37.4
161.13261	10.5
163.03972	6.5
163.11203	5.6
163.14847	3.3
164.07129	4.3
175.14792	3.0
179.05545	13.3
179.10675	18.5
184.07358	56.4
189.07532	2.8
189.09148	6.6
194.08159	4.5
195.08904	10.8
196.32338	2.7
203.17967	51.8
205.19519	11.0
207.10181	11.4
208.09708	3.9
221.18921	3.5
225.11272	15.3
259.08258	5.6
277.09143	3.8
295.10318	5.8
340.16669	2.8
351.14389	4.6
370.11404	24.6
426.23669	2.7
433.26767	3.2
490.70416	2.8
491.02713	2.8
532.30707	4.1
550.18744	4.8
550.32135	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	550.3873
Annotation	1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.66225	0.1
55.05513	0.4
56.05033	0.6
57.03461	0.2
57.07061	0.2
58.06356	0.3
58.06633	0.5
59.07372	0.1
60.08166	6.4
67.05510	0.4
69.07063	0.4
70.15293	0.3
70.15678	0.3
71.07378	3.0
79.05520	0.1
81.07060	0.3
83.08624	0.5
86.09711	30.8
93.07040	0.1
95.08607	0.3
98.20880	0.2
98.98471	3.1
104.10753	3.0
109.10159	0.2
111.43858	0.1
117.26630	0.1
121.10215	0.2
125.00013	19.8
143.00995	0.2
184.07350	100.0
185.07779	0.2
241.81548	0.2
459.51849	0.1
532.37830	1.2
550.30194	0.2
550.38605	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	550.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.9
56.05056	1.5
57.03433	0.3
57.07063	0.7
58.06604	1.2
59.07389	0.3
60.08169	16.3
60.46899	0.3
65.79983	0.3
67.05508	1.4
69.07064	2.5
71.07381	6.3
71.08640	0.3
72.08183	0.3
79.05497	0.4
81.07055	1.5
83.08636	1.7
85.96788	0.3
86.09712	51.8
86.81939	0.3
91.05458	0.3
93.07053	0.4
94.06704	0.3
95.08596	1.2
97.10178	0.8
98.98472	4.3
104.10753	92.1
107.08574	0.3
109.10150	0.9
109.41665	0.3
119.08578	0.3
120.72712	0.3
121.10162	0.6
124.64537	0.2
125.00014	29.7
135.11690	0.3
163.01566	0.5
184.07356	100.0
186.11694	0.3
258.11191	0.8
365.30450	0.3
367.32040	0.8
444.05240	0.3
468.85895	0.3
532.37720	8.0
550.38721	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83537	4.1
53.03955	7.6
55.01854	8.0
55.05513	19.8
57.03435	12.7
57.07075	6.9
66.65401	4.1
67.05513	63.0
67.05840	8.1
69.07074	20.4
71.04946	5.3
71.59064	5.2
71.59461	6.6
72.61954	4.6
74.09722	5.6
79.05504	51.2
80.57902	4.7
81.07061	46.4
83.04990	22.3
83.08646	10.6
91.05491	29.1
93.07051	70.0
95.04951	5.5
95.08617	44.8
97.06544	6.3
97.10172	7.9
102.13843	4.8
105.07076	11.1
107.08595	37.4
109.10152	19.4
111.08089	5.4
115.63644	4.2
117.07021	7.4
119.08609	11.5
121.10150	14.9
131.08594	7.7
133.10124	8.6
135.11693	50.9
145.10139	14.8
147.11670	6.1
149.13289	5.6
153.12766	11.8
159.11670	6.1
161.13315	7.8
163.11255	7.9
163.14824	5.2
181.12280	13.4
188.81024	5.2
214.60445	5.0
255.15919	82.9
261.22260	9.5
266.77258	6.0
335.25824	100.0
515.37457	81.8
550.35852	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	551.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03933	1.3
55.01865	0.6
56.96564	0.5
57.03428	0.9
61.02904	1.3
65.03928	0.4
67.05510	3.1
69.03435	5.8
69.88541	0.3
71.04965	1.0
71.55798	0.4
71.56168	0.5
73.02920	0.8
77.03922	0.6
79.05495	2.5
81.03424	2.2
81.07034	1.0
83.05006	2.2
85.02431	0.4
85.02910	6.3
87.04451	0.9
91.05481	1.7
94.04166	0.5
95.04359	0.6
95.04976	11.1
97.02898	2.2
98.97569	1.5
99.04456	1.7
103.05473	0.4
105.03382	1.4
105.04504	0.6
107.04951	0.6
109.02882	1.1
109.06491	1.5
111.04446	1.8
116.98603	0.6
119.04930	1.3
121.06490	1.7
123.04433	6.1
127.03916	1.7
129.05492	3.2
133.02843	1.1
135.04474	0.4
137.05991	2.5
139.03954	0.5
141.07216	0.3
145.04938	0.8
147.04416	2.4
147.06497	0.7
151.03914	22.3
165.05486	100.0
167.07066	0.9
169.05034	0.7
175.03902	2.0
179.07069	0.8
183.06543	27.2
189.07593	0.8
193.04987	5.5
199.70262	0.3
203.07634	0.6
207.06529	2.4
219.01762	0.5
225.07607	2.7
237.02789	0.4
261.10260	0.5
267.08972	0.6
269.10495	1.6
279.08679	0.7
297.09720	1.4
321.09659	0.8
339.10828	2.4
353.12378	3.3
371.13318	1.5
377.16534	0.6
387.17422	1.1
387.67401	0.6
388.16779	0.7
389.13968	0.4
389.18057	5.3
405.14987	0.4
465.78516	0.4
515.17725	0.4
551.23199	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	551.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01860	0.7
55.05504	0.8
56.96551	0.7
57.03421	1.0
61.02911	0.8
62.39579	0.5
65.03943	0.4
66.04724	0.5
67.05507	2.1
69.03429	6.5
71.04974	1.2
71.45290	0.4
71.55959	0.7
73.02923	0.5
79.05494	2.4
81.03429	2.3
81.07044	1.1
83.04990	2.8
85.02914	7.7
87.04424	1.0
91.05456	1.6
94.04198	0.5
94.95572	0.4
95.04974	14.4
97.02877	2.4
98.97555	1.4
99.04424	1.1
103.05455	0.5
105.03356	0.9
105.04549	0.5
107.04917	0.7
109.02872	1.0
109.06490	1.6
111.04475	2.6
116.98580	0.6
119.04934	2.8
121.06492	2.9
123.03568	0.6
123.04433	9.9
127.03912	1.7
129.05492	3.9
133.02847	1.5
135.04431	0.9
137.05972	2.3
145.01730	0.6
145.04976	0.8
147.04430	3.3
147.06538	1.4
151.03909	25.2
153.05469	0.9
153.12756	0.9
165.05486	100.0
166.05835	1.1
169.04893	0.7
175.03966	1.9
175.06030	0.4
179.06964	0.7
183.06537	24.3
185.69431	0.5
189.07559	1.1
193.05000	8.1
194.06897	0.5
203.07614	0.5
207.06561	3.0
211.05939	0.6
225.07603	3.7
269.10510	1.8
297.09753	1.9
321.09607	0.7
329.11554	0.4
339.10919	3.0
353.12277	3.4
371.13467	2.0
371.17340	0.7
387.14478	0.6
387.67395	0.9
388.12012	1.1
389.18237	4.0
392.11725	0.5
403.13220	0.5
425.39560	0.5
551.23267	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	551.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68657	1.2
53.03956	2.4
55.01855	3.1
69.03420	5.1
71.05000	2.2
71.57935	1.8
76.83315	1.3
79.05502	5.8
79.82314	1.2
81.03427	6.1
83.19560	1.1
83.79073	1.4
85.02917	11.2
87.00835	2.9
89.03920	1.6
91.05487	11.2
95.04928	2.3
97.02890	2.8
99.04453	2.6
103.05467	13.1
105.01875	2.2
105.07034	58.9
107.04939	1.8
109.02879	5.2
111.04381	1.4
115.05456	13.2
118.04152	6.9
119.04932	9.8
127.03930	4.9
131.04932	8.2
133.06499	52.8
137.05992	8.8
143.06058	3.2
147.04419	29.9
148.05161	2.0
151.03879	1.7
153.01846	1.9
153.05562	1.2
159.02863	1.9
161.05984	100.0
162.06128	1.3
163.03902	2.1
163.07512	5.3
167.07034	2.9
173.06004	1.9
177.05508	4.1
179.07014	4.0
180.06694	1.2
181.35529	1.3
191.07045	17.1
193.08607	55.0
193.91484	1.2
201.05502	5.0
202.43137	1.1
222.54343	1.2
229.04938	2.9
257.04462	1.5
303.05017	57.8
303.55569	1.2
309.52115	1.5
331.43869	1.4
433.07779	1.3
533.18042	1.7
545.00409	1.6
551.17371	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	551.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.2
51.02362	0.4
53.03946	0.7
53.07620	0.2
55.01883	0.3
57.03439	0.3
61.02930	0.4
63.02389	0.2
65.03928	0.2
69.03426	0.9
70.06580	1.0
71.04996	0.3
71.57554	0.3
72.08145	0.5
74.21793	0.2
77.03918	0.4
79.05494	0.6
81.03426	0.5
81.07047	0.3
84.08132	0.3
85.02918	2.4
85.06577	0.2
88.13811	0.2
89.03932	0.4
91.05492	1.7
93.07052	0.8
93.89152	0.2
95.04980	1.4
97.02897	1.2
99.04424	0.3
102.04716	0.3
103.05475	48.1
105.04519	0.3
105.07039	2.4
106.04175	0.5
107.04973	0.6
109.02910	0.3
109.06497	0.2
110.06011	0.2
114.10293	1.7
115.05475	0.5
117.03358	0.4
118.04224	0.2
119.04950	0.8
121.06510	1.9
121.10166	0.2
123.04433	0.4
127.03973	0.2
129.07040	0.3
131.04936	100.0
133.02835	0.3
133.06511	1.7
134.03632	0.5
135.04448	0.5
137.05972	1.5
145.02847	0.4
147.04440	0.9
148.05185	0.6
149.05994	3.2
151.03908	0.8
151.07559	0.4
153.09109	0.3
159.04434	0.8
159.08066	0.5
159.77817	0.2
160.79231	0.2
161.05991	3.2
161.09656	0.2
162.05426	0.3
163.03897	0.9
163.07555	39.6
165.05449	0.5
167.07039	3.0
172.05176	0.5
175.07588	0.3
175.11211	0.3
175.31108	0.2
176.04694	0.4
177.05472	4.9
177.07040	0.3
179.06992	0.4
181.05045	0.5
181.08578	0.7
183.06557	0.3
185.04161	0.3
187.07545	2.2
191.07016	0.5
192.03882	0.5
193.08611	0.4
194.05771	0.4
194.07629	0.2
197.08052	0.3
205.29338	0.2
207.06529	0.3
209.08109	5.9
209.15390	0.3
217.08551	0.9
219.75177	0.2
224.20149	0.5
227.09126	0.3
247.34941	0.2
278.07190	0.2
280.14404	0.2
286.20126	1.9
297.11163	0.3
309.11258	0.3
321.11316	0.2
341.13681	0.3
389.15912	0.3
448.25491	1.5
501.04077	0.2
510.37454	0.2
528.44757	0.2
551.17206	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	551.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
52.63611	1.3
53.03941	2.0
54.59824	1.4
55.01858	4.4
59.78487	1.2
65.03916	1.8
69.23516	13.2
70.06590	2.3
73.48682	1.2
73.92854	1.2
77.03955	1.6
79.05499	8.9
81.03428	1.6
81.07036	3.2
84.08133	1.6
85.02892	4.3
87.79115	1.5
91.05490	10.0
93.03396	3.2
93.07038	3.8
95.04973	3.4
97.02869	2.4
103.05473	47.6
105.07040	52.3
106.04169	5.1
107.04974	2.8
115.05463	12.7
118.04153	5.3
119.04922	3.0
119.80689	1.3
121.06529	8.9
121.21151	1.6
122.03643	5.7
123.11668	1.5
125.06048	1.6
131.04935	60.0
133.06505	46.2
137.05984	100.0
138.06314	3.9
143.04919	1.5
143.06042	4.8
145.02864	1.9
147.04391	5.1
148.05179	3.6
149.05977	10.9
151.03885	2.9
153.09068	2.2
161.05991	88.6
163.07553	60.9
165.05475	2.2
167.07059	5.4
173.06007	1.8
177.05466	6.0
179.07047	4.1
181.08607	9.2
187.07562	2.3
191.07034	21.9
193.08614	37.6
205.08620	2.8
206.04523	1.6
206.68634	1.6
209.08104	12.8
217.08653	2.4
219.10118	1.6
223.09654	3.2
296.41797	1.5
373.16608	3.1
427.39661	1.5
551.19873	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13851	0.3
56.96577	0.6
66.92007	0.3
69.03442	0.4
69.34386	1.1
69.34818	1.8
74.02461	1.0
79.05536	0.4
85.02930	1.6
89.03938	0.8
91.05485	1.0
97.02921	0.6
98.97591	0.8
107.04982	0.4
115.05479	1.1
117.03442	0.5
117.05770	0.6
117.07051	0.9
118.06553	17.0
119.04890	0.5
127.03979	0.3
130.06541	1.4
132.08096	4.1
134.06042	0.4
135.04390	0.6
137.05971	1.0
142.06526	1.9
143.07310	2.3
144.04460	0.7
144.08090	11.0
145.02843	0.8
145.04953	0.5
146.06017	60.8
147.04440	0.4
147.06453	0.5
151.03947	0.4
159.07980	0.6
159.09200	5.3
160.07600	0.7
162.05463	1.6
162.85947	0.3
163.03899	3.6
164.04266	0.8
165.05507	0.8
166.08543	0.4
167.07085	1.1
170.06013	4.0
177.05473	1.0
188.07076	100.0
189.07533	0.4
205.09735	46.1
219.01819	0.7
235.07204	0.9
237.02904	0.6
253.03990	0.4
355.07080	0.7
371.04099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95648	0.4
51.95917	0.5
53.03948	0.6
56.96572	1.1
69.03432	1.2
69.34063	1.8
69.34482	1.9
74.02460	0.5
81.03412	0.7
85.02909	2.6
86.03263	0.5
87.04466	0.5
88.33927	0.4
89.03888	0.9
91.05484	1.5
91.48668	0.4
95.04993	0.5
97.02904	1.2
98.97596	1.9
101.06420	0.4
108.50027	0.5
109.02805	0.7
110.97547	0.7
111.22147	0.4
115.05447	1.2
116.05045	0.5
116.98644	0.9
117.03385	1.1
117.07018	1.5
117.35456	0.4
118.06541	16.4
127.03909	1.0
130.06566	1.1
132.08115	4.9
135.04434	1.7
137.05986	2.0
142.06519	1.5
143.07333	1.6
144.08090	10.5
145.02853	0.9
145.05003	1.2
146.06013	57.0
147.04419	1.0
151.03899	1.0
159.09200	5.6
160.07597	0.9
162.05492	2.0
163.03905	8.1
163.05229	0.7
164.04263	0.9
165.05525	1.4
167.07037	1.9
170.06024	4.2
175.04041	0.4
177.05501	1.0
188.07066	100.0
189.07416	0.5
193.08670	0.6
200.91864	0.4
205.09731	48.7
207.06563	1.0
219.01785	1.1
235.07251	2.2
237.02855	1.3
249.42990	0.5
273.02658	0.6
303.08026	0.5
371.04108	0.8
439.18365	0.4
551.16284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74006	2.6
53.03933	7.5
55.05508	8.0
65.31071	2.9
66.91594	2.3
67.05492	5.8
69.03426	11.5
69.07079	29.1
71.04984	6.7
73.06562	3.3
79.05102	2.3
79.05497	15.7
80.30256	3.0
81.03407	9.3
81.07059	7.3
83.04987	63.6
83.16655	2.5
85.02895	9.1
85.06533	4.7
87.04465	3.9
91.05487	20.3
93.07050	19.1
95.04960	10.4
95.08607	6.2
97.02869	5.8
97.06537	64.1
99.04452	20.0
103.05479	2.7
105.07042	45.3
107.04945	3.4
107.08582	13.9
109.02865	3.2
109.06541	15.7
115.05427	3.3
117.07006	10.6
119.08583	8.8
121.06524	48.7
125.06005	100.0
127.03847	2.9
129.07039	7.1
130.07771	6.8
131.08591	17.1
133.06508	9.5
133.10112	7.2
135.11784	4.1
137.05995	13.3
143.07054	57.6
143.08553	7.0
144.09311	6.1
145.06509	8.5
145.10135	86.2
147.04387	5.5
147.11658	4.6
149.09543	2.9
151.07584	12.4
154.07747	3.5
158.07266	12.8
159.08040	9.0
159.11691	32.9
161.09557	4.0
163.11163	15.7
164.97260	2.5
169.10136	9.6
171.11722	2.4
172.08881	6.7
172.83043	2.7
173.09637	84.5
177.12793	17.7
186.21155	2.6
187.07497	3.1
187.11198	67.3
191.10696	27.5
197.09579	6.3
205.12234	60.0
209.11627	6.5
215.10677	74.2
233.11768	44.5
251.12762	9.6
257.79553	2.4
277.95538	2.9
307.39639	2.5
308.11362	5.0
377.15961	3.3
395.16943	9.4
413.17999	21.9
416.65372	2.6
551.25146	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	551.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.0
56.94989	1.2
59.04988	1.4
69.03425	2.4
69.07060	2.2
69.48554	1.2
71.58556	1.8
79.05490	1.6
81.07059	3.5
83.08619	1.3
85.02901	2.2
87.02699	1.7
91.05474	5.7
93.07047	2.4
95.08619	4.3
97.02859	1.9
98.97592	1.9
103.05475	5.3
105.07033	1.8
107.04960	2.2
107.08569	2.0
109.10129	1.5
115.77943	1.4
119.08549	1.6
121.06506	14.1
121.10142	1.9
123.11765	1.9
127.03950	1.8
131.04979	1.5
133.03194	4.1
137.05966	6.9
148.40254	1.2
152.07133	1.7
166.05009	3.3
167.07031	1.3
180.06560	47.9
189.09021	1.2
204.99335	1.5
221.09700	1.4
222.07581	2.4
266.10291	4.3
267.26825	1.5
280.11792	55.7
308.11258	3.9
317.08554	1.6
322.12866	100.0
323.13156	1.3
355.10596	2.6
370.65118	1.5
371.13181	3.7
428.17029	15.8
443.70166	3.6
491.21933	2.3
502.20514	4.4
551.24170	8.0
572.73541	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
53.56794	0.4
56.96561	1.2
57.03437	0.6
61.02940	0.9
69.03423	1.1
69.52105	1.9
69.52530	1.8
71.04987	0.8
73.02925	0.6
79.05505	1.2
81.03398	0.8
84.04502	0.6
85.02913	5.0
91.03959	0.5
91.05493	1.2
93.07046	1.4
97.02901	1.7
98.97594	3.3
103.05482	7.0
107.04964	2.2
110.23613	0.6
112.02200	0.5
116.98598	0.8
117.03456	0.5
120.08116	100.0
121.06528	4.4
122.06884	0.6
127.03911	0.9
128.98639	0.6
130.05063	1.0
131.04929	2.1
135.04463	1.0
136.03940	0.8
136.06210	1.3
137.05991	0.8
140.01691	0.6
142.03241	0.9
142.25578	0.5
145.02887	0.8
145.04967	0.9
149.06007	1.8
151.03902	0.6
158.99689	0.8
159.71992	0.5
162.06203	0.5
163.03922	5.0
165.05576	0.7
166.08655	54.0
177.00787	0.6
177.03282	1.1
179.02892	0.8
194.03326	0.5
195.03404	0.6
219.01787	1.1
231.04362	0.9
237.02814	1.0
251.06821	4.8
251.56929	2.6
256.63736	0.6
311.77734	0.5
339.07590	0.8
346.75299	0.6
374.07993	0.6
374.19495	0.6
401.63443	0.8
423.08060	1.0
475.95612	0.6
555.41473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2233
Annotation	Asperlicin B
Peak:m/z	Relative Intensity
50.01586	0.3
51.02374	1.0
51.04560	0.2
53.03951	4.4
55.01873	0.4
65.03923	0.5
69.34659	1.4
69.35081	1.0
77.03924	1.1
79.05503	0.5
81.03426	0.4
87.76019	0.3
91.04905	0.4
91.05486	13.8
93.07049	20.9
95.04974	3.9
98.21594	0.3
103.05475	16.3
105.04499	2.0
117.05458	0.5
119.04956	0.6
121.06511	100.0
122.06828	0.6
134.06047	0.5
144.04477	0.7
147.04430	1.7
148.04753	0.8
160.03986	1.6
162.05542	1.3
176.07076	0.9
178.05025	1.7
180.06543	0.3
192.06557	6.8
194.08127	9.9
194.09885	0.5
206.04616	0.6
208.09764	0.3
220.06036	4.4
236.09169	3.1
238.07130	3.0
252.08643	1.6
268.11896	1.5
280.08170	11.2
294.09857	1.3
306.41455	0.3
312.12091	1.1
329.88431	0.3
340.11850	0.6
356.14850	0.6
358.12790	0.8
400.13943	8.9
401.81055	0.3
414.15543	1.4
432.16516	5.7
464.73813	0.3
520.19556	0.6
552.22308	77.2
553.22461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
65.03931	0.2
67.05495	0.3
69.07033	0.2
71.57417	0.3
79.05447	0.5
80.04961	0.3
81.03378	0.2
81.07016	0.2
82.06558	0.4
84.08112	0.1
85.02880	0.2
86.09655	0.3
88.02429	0.2
91.05479	0.8
93.05741	0.2
93.07053	1.6
94.06578	2.0
95.04961	0.4
95.07355	1.5
95.08574	0.4
96.08138	3.1
97.06531	0.2
103.05434	0.4
104.10683	0.2
105.06977	0.2
107.08543	0.2
108.04420	0.2
108.08129	3.1
108.08833	0.3
109.08870	0.3
109.70499	0.2
110.09684	5.0
118.06557	0.2
120.04485	3.0
120.05334	0.3
120.08108	4.4
121.06493	1.0
122.05994	0.6
122.06783	0.2
122.09634	0.3
123.06794	0.3
124.07613	0.9
124.99943	0.3
132.08092	0.2
133.10097	0.2
134.06017	0.2
136.06628	0.3
136.07573	3.0
138.09149	7.9
146.05949	0.7
148.07568	1.0
150.05466	0.4
150.09103	0.9
151.06261	0.2
152.07086	1.3
152.10631	0.4
160.07570	0.3
160.20175	0.2
164.07027	0.7
166.08646	7.6
172.03841	0.3
174.09148	0.3
176.10616	0.4
180.10126	0.5
182.11707	0.5
184.07370	1.1
184.09932	0.3
187.12318	0.2
188.07013	0.2
190.05003	0.2
192.06522	0.2
194.08192	1.2
195.09076	0.3
196.09837	0.4
197.10707	0.8
198.11407	0.3
199.08693	0.2
204.06552	0.2
207.09036	0.3
209.10698	0.7
210.09250	0.2
211.08691	0.3
211.12228	0.8
212.09392	0.8
213.10178	0.5
215.11797	0.3
218.08144	0.2
220.09834	0.4
221.07100	0.2
221.10718	0.5
222.07727	0.3
222.11423	0.2
223.08659	1.2
223.12190	1.1
224.09404	0.9
225.10225	2.4
225.13837	0.2
226.10983	0.5
227.11789	0.6
229.09726	0.2
233.10686	0.5
234.11542	0.2
235.08670	1.4
235.12279	0.3
236.09439	1.1
237.10228	6.8
238.11133	1.3
239.08191	1.4
239.11769	3.3
241.09634	0.6
245.12831	0.6
247.08847	0.3
248.09375	1.6
249.10237	5.0
250.11012	2.0
251.08134	3.1
251.11772	4.5
252.08925	0.6
252.12602	0.8
253.07127	0.2
253.09718	4.7
253.13423	0.3
254.10458	0.6
255.07629	0.2
255.11290	0.8
256.11826	0.2
261.10245	2.1
262.10855	0.8
263.08234	0.6
263.11777	2.6
264.09045	0.5
265.09741	7.6
265.13065	0.5
266.10446	1.4
266.14334	0.2
267.08197	0.2
267.11279	4.7
267.14447	0.3
268.12027	0.6
269.09158	0.8
269.12827	0.5
271.10818	2.0
273.12366	0.5
276.08902	0.3
277.09766	2.3
277.13058	0.3
278.06659	0.5
278.10480	3.5
279.04849	0.2
279.07654	3.2
279.11267	8.1
280.08835	0.3
280.11990	1.6
281.09204	2.2
281.12848	1.5
282.10074	0.9
282.13025	0.2
283.10800	5.8
283.14072	0.4
284.11404	0.3
285.12338	0.6
286.13394	0.2
287.13931	1.5
289.09711	4.8
290.10379	0.5
291.07922	0.3
291.11276	2.1
292.08411	0.3
292.11823	0.3
293.09195	1.6
293.12827	3.5
294.10010	4.8
294.13370	0.4
295.10825	3.4
295.14130	0.5
296.11603	2.0
297.08679	0.6
297.12317	1.3
298.09518	0.4
299.10330	1.8
299.13623	0.3
306.09909	1.3
307.10757	1.7
308.11569	0.8
309.08990	0.3
309.12274	2.3
310.09610	0.2
310.13171	0.5
311.10205	5.5
311.13879	2.1
312.11066	2.2
313.11871	1.5
314.12607	1.6
315.13361	0.4
317.09280	0.9
321.08630	0.5
321.12418	0.8
323.10202	1.0
323.13916	1.2
324.11136	1.5
325.11786	1.1
326.12637	4.5
327.13400	8.2
334.09634	0.2
335.10269	7.3
336.11023	0.3
337.08139	0.2
337.11761	0.7
339.10147	1.7
339.13400	45.3
340.10458	2.3
340.13855	0.3
341.15060	0.2
349.11707	0.2
352.10526	1.2
353.11328	0.7
353.15359	0.2
354.12100	3.9
354.15964	0.1
355.12888	14.0
367.12903	28.2
368.13312	0.2
368.17572	0.2
370.15454	0.2
371.12140	0.4
371.16406	0.3
372.17041	0.2
374.15042	0.2
376.16064	0.2
383.12347	0.3
386.14789	0.7
387.15637	0.8
390.18137	0.3
399.15518	0.4
402.18094	0.3
409.19852	0.3
416.16150	0.2
418.17413	0.5
420.18793	0.3
432.19409	0.3
436.18411	0.2
442.17603	0.4
444.19214	0.5
447.17822	0.3
451.21011	0.7
452.21536	0.2
460.18988	1.0
464.17584	0.2
470.16650	0.3
474.20041	0.3
476.22134	0.2
479.20523	1.8
488.18170	10.9
489.18390	0.2
492.21368	4.4
502.19760	0.5
520.20825	100.0
521.20892	1.0
538.22089	0.2
552.23419	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	552.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62425	0.6
52.69222	0.6
53.03932	0.9
55.01864	1.0
57.03437	1.5
61.02925	2.9
64.39853	0.5
65.03957	0.8
66.08703	0.6
69.03429	3.6
69.39993	0.6
71.04973	1.1
71.11477	1.8
73.60583	0.6
79.05487	0.9
81.03436	5.4
81.07059	0.6
81.89344	0.6
85.02912	21.3
91.03970	1.2
91.05489	1.7
93.03419	1.1
93.06960	0.6
94.04200	1.5
97.02886	6.1
99.04485	1.1
103.05481	2.8
105.07088	0.8
107.04963	1.9
109.02893	1.0
115.05474	6.4
117.07053	2.0
121.06525	4.4
122.03630	3.2
125.05996	1.1
127.03925	4.7
128.06197	1.6
129.07027	5.1
131.04916	4.1
135.04422	1.3
136.05206	4.8
137.05986	89.3
139.07547	2.8
143.04921	10.6
144.05696	1.2
145.04970	7.0
145.06488	2.1
146.07198	1.5
149.06026	1.0
151.07552	53.1
153.05457	2.1
157.06506	5.7
158.07286	6.7
159.04456	2.9
160.05197	11.5
161.05986	3.5
163.06221	1.1
163.07462	3.5
165.05437	1.2
167.07089	2.7
172.05206	2.6
172.08841	2.2
173.05946	2.0
174.05217	1.0
174.06776	32.5
175.07558	94.1
177.05443	1.2
177.09123	5.8
179.07034	1.8
180.08630	3.8
186.06784	2.0
187.07564	30.8
188.08353	4.6
189.09117	100.0
191.10748	1.1
201.09125	43.6
203.08774	1.3
203.10669	9.7
205.08614	22.5
211.07507	1.0
213.09134	1.2
216.07816	1.1
217.08588	4.3
219.08157	0.9
219.10156	23.5
225.09094	1.2
231.08032	1.3
231.10153	12.7
233.09589	1.2
235.09656	20.7
239.07040	1.6
241.08598	1.3
246.06769	0.7
246.10515	2.0
247.07603	1.6
249.11252	20.6
253.08714	1.5
254.09474	5.9
255.06494	1.8
261.09146	2.3
262.09863	3.9
263.10748	1.7
265.12302	0.9
269.08167	4.4
270.08856	2.1
273.09045	0.9
274.09961	3.8
275.10693	1.3
276.07776	0.9
277.12250	2.4
279.10208	1.7
282.08600	0.9
284.10440	12.4
285.11203	14.7
290.09433	2.0
291.10092	4.9
293.11710	3.4
294.12488	2.1
295.09625	1.2
297.11261	2.9
305.11749	10.0
306.12555	7.5
307.09625	2.1
310.11896	2.9
322.12009	4.7
325.14395	7.7
327.15991	1.3
330.74207	0.8
337.14365	31.6
355.15421	30.4
355.19849	1.5
454.50424	0.8
552.22131	2.8
572.51996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4028
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
55.05499	0.4
56.05029	1.4
56.41724	0.3
57.03428	0.5
57.07087	2.4
58.06572	1.7
60.08165	18.9
67.05499	0.9
69.07060	0.5
70.06578	0.4
70.73154	0.9
71.07377	7.9
71.08636	1.9
73.86052	0.3
76.99262	0.3
81.07037	0.6
83.08638	0.4
85.10188	1.1
86.09708	53.8
93.07040	0.4
95.08605	1.0
98.98468	4.2
104.10745	100.0
109.10133	0.5
111.11838	0.4
125.00005	30.9
131.92599	0.3
163.01563	1.1
163.16469	0.3
184.07344	100.0
218.17975	0.3
258.11093	0.9
280.30707	0.4
369.33463	1.1
475.32172	0.5
534.31531	0.6
534.39215	8.5
552.40265	43.7
553.40521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.0
71.58980	0.9
74.69937	0.5
79.05489	1.1
81.03425	3.6
84.04520	0.5
85.02912	1.6
89.03917	4.0
91.05489	1.1
95.04969	2.0
97.02885	1.0
103.05402	0.6
107.04945	1.8
109.02914	1.2
111.13102	0.5
117.03400	8.0
119.04909	0.6
121.06519	0.5
123.04424	1.0
127.03880	0.8
135.04425	12.6
137.06021	2.7
145.02847	10.1
151.03918	7.0
163.03920	100.0
164.04277	0.6
165.05515	1.1
167.07118	0.7
177.05486	3.6
181.04982	4.9
192.53018	0.6
193.05013	2.4
211.06020	1.6
241.60638	0.6
264.05438	0.5
307.08075	4.5
325.09131	5.7
339.11194	0.7
357.66107	0.7
553.19397	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	553.1913
Annotation	Alboside I
Peak:m/z	Relative Intensity
51.02395	0.5
59.77007	0.4
69.03413	1.0
81.03429	3.4
81.07062	1.9
81.53906	0.3
83.04971	1.6
85.02884	1.0
89.03925	5.0
91.05478	1.1
93.07030	0.8
103.05454	0.8
105.07000	0.8
106.04158	0.5
109.02890	1.2
109.06532	0.7
117.03387	16.5
119.05039	0.5
127.03902	0.5
131.04945	1.6
133.02864	0.6
133.06496	2.0
134.03694	1.2
135.04393	0.8
135.08080	0.6
137.06004	3.7
145.02853	45.9
149.05989	5.3
151.07510	1.8
161.06001	2.0
163.03958	0.6
163.07597	0.9
164.07072	0.7
167.07115	0.6
175.07527	0.7
177.05479	100.0
178.05821	0.5
179.07127	2.9
186.05508	0.5
187.07509	0.6
187.87852	0.4
195.06526	2.1
197.08110	6.4
203.06950	0.6
268.99362	0.4
321.09744	4.5
339.10748	7.5
362.44839	0.5
406.65094	0.4
460.44553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.0
63.16838	0.6
63.63773	0.7
65.52601	0.6
67.05481	1.0
69.30666	1.5
69.31066	5.3
81.07029	1.5
81.73146	0.6
86.09724	1.0
91.05487	1.5
95.04964	0.7
104.10745	1.0
105.07001	0.8
109.10150	0.8
115.05489	0.6
117.07046	0.9
118.06557	13.7
121.06527	0.8
121.10125	1.0
142.06508	1.1
142.35214	0.7
143.07266	1.3
144.08122	10.7
146.06026	44.2
164.07076	9.2
170.06015	3.4
180.82582	0.7
182.05811	12.2
184.07370	0.8
188.07085	33.9
190.08707	0.7
190.69804	0.7
210.05299	18.0
238.25531	0.7
244.05878	1.1
329.12640	98.2
347.13803	1.1
351.13593	5.1
371.13531	1.5
372.79828	0.8
373.11630	100.0
453.70721	0.6
462.71622	0.7
509.20624	3.7
541.08435	0.7
553.19525	19.5
553.29791	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	553.2776
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
56.96563	2.5
57.62738	1.0
57.63020	1.1
60.58797	0.9
69.52622	6.4
75.51965	1.0
88.05341	0.9
92.69624	0.9
93.23381	1.3
98.20792	2.6
98.97569	6.2
107.08604	1.4
109.10204	1.2
112.99146	3.5
124.99193	1.0
131.00175	3.5
158.99673	2.2
177.00711	1.8
208.75259	1.1
275.04706	1.2
293.05447	4.8
317.17969	4.4
335.19077	1.8
336.26208	1.9
430.13785	1.2
553.27777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2987
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
56.96558	0.5
60.06401	0.4
67.05495	0.6
69.03411	0.4
71.58079	0.4
72.56229	0.4
79.05500	0.6
81.07047	0.5
86.12553	0.4
91.05474	0.9
91.32693	0.4
93.07035	0.9
96.01858	0.5
105.07059	0.8
107.08573	0.6
109.10163	0.5
110.07224	0.4
119.08540	0.4
121.06511	1.0
121.10099	0.5
131.08521	0.4
133.10193	0.4
145.10071	0.4
155.03175	0.4
157.04774	0.5
184.03464	0.6
185.04256	2.6
201.03795	1.5
275.07391	1.4
301.03448	0.5
301.09146	0.6
307.05890	0.4
329.12518	1.1
331.10019	3.2
345.11563	0.8
351.18387	0.7
373.15030	0.8
391.24759	1.0
401.18246	0.7
415.19366	1.3
429.69626	0.4
455.22250	0.8
483.21805	1.7
535.28210	0.6
553.29865	100.0
554.30048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01866	0.9
60.44798	0.5
62.01598	0.6
62.48608	0.5
65.03947	1.6
69.68842	0.5
71.41449	1.1
71.41821	0.6
77.03928	0.7
85.02896	0.7
88.96233	0.5
91.05483	23.8
95.04972	21.2
103.05473	8.9
107.04995	0.5
109.06546	1.9
109.35846	0.5
111.01468	0.5
118.06549	1.8
119.04949	40.7
121.06514	3.0
123.04433	48.9
131.04933	20.2
137.05978	20.1
144.04475	4.7
144.20264	0.5
146.06013	12.9
147.04419	19.6
153.05489	1.4
161.26161	0.6
162.05524	4.2
163.07555	12.1
164.07027	0.6
165.05484	13.6
172.03937	2.1
176.05560	0.7
176.07072	12.9
176.08539	1.0
177.09120	0.6
178.08640	45.3
190.05031	2.4
191.07155	0.9
200.45219	0.5
203.07066	1.7
204.06580	10.7
210.11288	1.6
222.07623	38.9
226.16896	0.7
233.08145	0.7
236.09186	1.7
254.10242	0.7
274.23373	0.5
279.45047	0.6
340.11774	0.8
342.13364	1.4
358.12851	0.8
368.11432	1.6
386.12363	25.1
390.15558	7.0
400.13879	1.7
418.15015	0.6
522.17810	5.0
554.20239	100.0
555.20544	0.6
577.19800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
53.03945	1.1
54.53371	0.4
65.03932	3.9
66.26723	0.4
69.29159	2.5
69.29567	1.1
72.90419	0.4
79.05495	1.1
89.03907	1.0
91.05482	9.2
91.89307	0.4
92.05046	0.4
93.03411	8.6
93.07054	4.6
95.04993	1.1
103.05477	3.7
107.04285	0.7
107.04963	8.3
107.05621	0.7
109.10810	0.4
111.04448	18.2
117.03350	0.7
117.05769	0.6
118.06557	1.2
119.04956	1.9
120.04436	0.7
121.06514	27.8
123.04414	0.6
135.04425	27.9
137.05974	0.9
139.03909	34.9
144.04431	3.9
146.06024	11.6
158.42682	0.4
162.05496	3.3
163.03917	9.5
172.03943	1.8
176.05542	0.5
176.07080	9.9
178.08643	38.5
181.04939	4.9
190.05067	2.2
194.08281	0.5
204.06570	9.6
210.11290	1.3
222.07622	31.0
236.09215	1.7
247.69763	0.4
280.08356	0.5
335.64816	0.4
356.11655	1.2
358.12967	1.6
374.16025	5.5
384.10944	1.8
402.11896	24.2
416.13635	1.1
428.89130	0.4
434.14462	0.8
476.94083	0.5
522.17517	3.1
554.20270	100.0
555.20813	1.0
579.68341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01870	0.9
65.03946	1.4
69.83836	1.6
69.84238	0.8
72.34143	0.6
77.03927	0.7
91.05484	21.2
92.05029	0.6
93.07036	1.2
95.04975	19.8
98.20839	1.1
98.21398	0.9
103.05479	7.3
107.04970	0.9
109.06520	1.4
118.06558	2.3
119.04948	41.9
121.06511	3.0
123.04436	47.4
131.04945	12.3
137.05986	18.4
144.04454	5.6
146.06010	12.8
147.04417	17.7
153.05473	0.9
162.05507	3.9
163.07547	6.2
165.05489	14.1
172.03996	1.9
176.05573	0.4
176.07079	12.1
178.08641	43.5
190.05026	3.1
190.60144	0.6
194.08127	0.7
203.07118	1.1
204.06572	11.6
210.11256	1.4
222.07626	36.7
236.09212	1.7
266.54568	0.6
276.97095	0.6
340.11969	0.8
342.13440	1.7
368.11499	1.9
386.12354	25.7
390.15518	6.7
400.13968	1.2
418.15097	0.8
426.60379	0.5
522.17719	3.8
554.20239	100.0
555.20758	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01875	4.0
62.70119	0.4
65.03953	0.6
69.03462	0.8
69.24379	4.1
69.24715	0.8
81.03430	0.8
81.07057	0.4
85.02923	2.8
86.20425	0.4
87.04540	0.5
91.05483	0.9
93.03433	1.9
95.04970	0.4
97.02933	0.8
103.05474	30.1
109.02932	0.7
111.04429	1.0
115.05460	0.6
116.05837	0.4
117.03356	1.3
117.07012	0.9
119.04924	0.4
121.06498	0.6
125.05991	2.6
131.04938	100.0
135.04497	0.4
137.05983	8.6
143.04915	0.7
145.02847	3.1
145.04932	0.4
145.06477	1.9
146.03209	1.2
147.04416	0.5
149.05998	0.8
151.03940	1.1
153.05473	8.1
160.05226	0.9
161.06041	0.5
163.07555	60.6
173.06105	0.8
175.07530	1.6
177.05469	6.7
177.09106	1.3
178.05826	4.2
178.42697	0.4
179.07047	0.6
187.07533	1.0
191.07027	3.4
202.45210	0.4
203.07054	8.4
205.08574	2.9
217.45612	0.4
221.08026	0.7
223.09648	0.7
233.08078	2.1
251.09402	0.5
293.80276	0.4
340.11118	0.8
357.13284	1.2
554.19794	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47861	0.3
51.02374	0.3
53.03941	0.5
55.01876	3.0
57.03448	0.4
61.02932	0.5
65.03933	0.7
67.04008	0.3
69.03438	1.2
70.06595	1.1
71.04982	0.6
71.59151	0.5
77.03939	0.5
81.03423	1.3
81.07024	0.4
85.02917	3.8
91.05475	0.6
93.03419	1.1
93.07014	0.4
95.04980	0.5
97.02913	1.6
103.05473	33.4
107.04951	0.5
109.02898	0.3
111.04464	0.9
112.07600	0.6
117.07045	0.5
119.04942	0.6
125.05992	1.5
127.03934	0.9
131.04935	100.0
133.06508	0.4
137.05984	5.7
138.06343	0.5
140.07065	0.6
143.04947	0.6
145.02806	0.5
145.04932	1.1
145.06454	0.5
147.04427	0.7
149.02348	0.5
149.06024	0.5
151.03946	0.8
151.07660	0.4
153.05478	5.4
161.05907	0.5
163.03911	1.0
163.07555	50.1
165.05374	0.5
173.06090	0.4
175.07603	0.4
177.05464	1.0
177.09128	0.8
179.07042	0.6
180.08719	0.6
181.04944	0.9
185.32082	0.3
191.07014	2.3
203.07016	4.2
205.08662	2.1
221.08076	1.1
223.06001	0.9
223.09540	0.5
233.08110	1.3
281.67874	0.3
285.69131	0.3
300.42926	0.3
339.40683	0.3
357.13266	0.6
554.16058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32604	0.5
51.70973	0.5
55.21137	0.5
55.21403	0.5
60.26672	0.5
70.06609	0.8
71.57632	1.0
85.02914	0.8
91.05473	1.3
93.07024	0.7
97.02903	2.5
103.05477	1.2
114.10199	0.6
114.68709	0.5
119.04960	1.1
121.06507	5.5
127.03908	0.6
147.04393	5.6
163.03912	1.1
180.80695	0.5
181.50288	0.6
342.31918	0.6
373.09149	1.0
417.08093	1.1
451.13593	1.9
469.14752	8.0
511.15802	56.3
512.16241	0.9
555.14764	100.0
556.14618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02423	1.8
54.09273	1.6
65.03944	2.1
69.56860	10.8
79.05493	3.8
79.41035	1.5
83.01305	1.8
91.04958	2.7
91.05489	27.8
103.05463	3.8
105.07009	2.4
107.04933	3.1
109.06509	2.6
115.05434	5.7
117.07038	12.6
119.04961	13.1
121.23072	1.7
123.04451	9.4
131.04936	5.1
133.06544	3.3
135.04431	4.5
135.08002	2.1
136.62671	1.8
137.05991	100.0
139.03981	1.8
141.07011	1.8
143.04932	2.1
145.06541	8.5
147.04391	3.6
149.06009	9.9
151.07552	9.6
161.05969	7.0
163.07552	16.8
165.05511	3.9
165.06943	3.9
167.07066	4.3
173.05940	4.2
177.05420	2.4
179.07034	2.3
181.04961	5.0
181.06487	4.0
183.08014	2.4
187.07582	3.6
193.06505	3.6
195.08014	1.7
197.05995	3.1
199.07439	3.9
211.07570	4.0
213.03694	2.0
221.06062	3.6
223.05937	4.0
225.05415	2.4
227.06970	2.5
235.07623	3.1
239.07028	5.1
243.06473	2.0
253.05009	4.0
253.08662	2.6
254.05864	2.0
255.06534	4.6
267.06537	6.5
269.08151	3.4
271.05991	3.7
273.11224	15.1
285.07697	2.8
295.09668	2.2
303.09909	1.9
305.11761	2.9
323.12781	2.6
341.11691	1.7
357.11130	3.5
375.12225	3.1
381.11047	1.9
385.10699	2.3
393.13214	5.4
399.12289	1.8
403.11841	10.1
421.07166	2.4
421.12863	48.5
435.13867	2.2
445.13040	9.2
453.15759	12.1
463.13721	8.1
481.15033	32.0
495.16464	4.1
513.17548	6.2
555.20679	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	555.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96581	0.7
59.90072	0.4
61.02906	0.5
69.03453	0.8
69.66132	1.4
69.66534	1.3
74.02480	0.8
80.31990	0.4
85.02914	1.8
86.55456	0.4
89.03913	0.7
90.54594	0.4
91.05511	0.6
91.48118	0.5
93.94414	0.4
97.02886	1.0
98.21535	0.7
98.97593	1.3
101.64099	0.4
103.05427	0.6
111.08088	0.7
115.05470	0.8
116.98644	0.7
117.05798	0.7
117.07019	1.1
118.06553	15.2
130.06541	1.3
131.04953	0.6
132.08105	4.5
135.04395	0.5
136.54337	0.4
137.00429	0.4
137.05975	1.1
142.06541	1.8
143.07339	1.7
144.08093	11.0
145.02873	1.3
146.06017	56.6
153.09138	0.5
159.09204	5.5
160.07579	0.9
163.03902	3.9
167.07112	0.6
170.05994	3.0
171.10149	1.1
177.05478	1.1
188.07076	100.0
189.07448	0.7
205.09735	52.5
208.94241	0.4
219.01755	1.2
237.02794	1.1
285.06744	0.5
307.09201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35785	0.3
64.78252	0.3
65.39670	0.4
67.05501	0.6
69.07071	0.5
70.06596	1.9
71.58777	0.4
79.05504	0.4
81.07064	0.9
85.02898	0.6
90.26624	0.3
91.05478	1.1
93.07037	0.5
95.08604	0.8
97.02885	1.1
103.05457	0.5
105.07015	0.7
107.08624	0.5
109.02904	0.5
109.10153	0.5
112.09397	0.4
114.05544	0.6
115.16335	0.5
116.07103	0.6
117.07040	0.6
119.08581	0.7
121.06508	1.9
121.10085	0.4
124.78659	0.4
133.10179	0.5
135.08043	0.6
135.11752	0.6
137.05989	1.0
139.03853	0.3
145.02858	0.4
146.06046	0.5
153.34314	0.4
161.05922	0.5
163.03928	0.5
164.07068	0.8
165.05560	0.5
177.05399	0.8
189.27571	0.4
189.86989	0.4
197.66147	0.4
239.07051	0.6
240.07784	0.7
241.04965	0.6
241.08723	0.5
255.10234	1.9
273.11197	2.4
275.07028	0.5
301.10574	0.5
317.29123	0.4
335.09503	16.7
375.19208	2.1
423.23660	0.6
481.15292	0.8
481.22781	0.4
513.18225	0.5
518.45679	0.4
555.27777	100.0
556.27972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80690	0.2
54.87943	0.2
56.96553	0.3
58.67127	0.2
61.18044	0.2
65.54714	0.3
69.07072	0.5
70.06590	0.3
71.58591	0.3
71.58979	0.3
77.35343	0.2
79.05479	0.3
81.07058	0.7
85.02901	0.4
85.06564	0.4
91.05487	0.8
92.13638	0.3
93.07072	0.5
95.08611	0.7
98.21042	0.3
98.97611	0.5
103.05459	0.3
105.07043	0.5
107.08588	0.4
109.02871	0.3
109.10152	0.3
110.97563	0.3
116.48721	0.3
117.19698	0.3
119.08556	0.5
121.06516	1.9
133.10146	0.4
135.08092	0.4
137.05989	1.1
147.11681	0.4
151.03925	0.4
157.10178	0.3
177.05484	0.6
203.05252	0.6
207.06459	0.3
215.36307	0.3
221.05034	0.4
275.07364	0.6
275.60089	0.3
286.04599	0.3
335.09494	14.2
345.13440	0.3
345.17664	0.3
423.23398	1.9
526.01465	0.3
555.27759	100.0
556.27869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67070	2.4
53.03952	6.4
55.01868	6.0
55.05510	17.5
56.96558	4.2
57.03435	2.8
57.07070	9.1
59.04991	2.5
65.03938	2.7
66.91791	2.4
67.05508	33.8
69.03435	18.2
69.07074	30.6
69.48705	2.2
69.59453	9.4
69.59870	6.6
70.06589	3.3
70.37811	2.6
71.04707	2.3
71.05004	28.7
79.05499	27.1
79.13055	2.8
81.03436	12.9
81.06575	5.0
81.07057	81.0
83.04965	4.3
83.08626	12.1
85.02911	39.7
85.06531	4.3
87.00835	12.8
91.05486	19.9
93.07049	64.2
95.04972	7.0
95.08608	50.1
97.02899	11.1
97.06559	4.8
97.10146	5.1
98.97544	3.8
99.04488	4.3
99.08105	4.3
103.05425	4.0
105.01853	13.4
105.07036	38.7
107.08598	74.0
109.02870	11.1
109.06528	5.5
109.10164	100.0
111.04423	5.0
115.03905	3.3
117.07046	6.1
119.08590	44.3
121.06526	18.7
121.09327	3.3
121.10154	55.9
122.06832	3.4
123.08082	3.3
123.11717	23.5
125.09619	8.1
127.03928	16.4
127.11195	78.3
131.08559	12.3
133.10144	28.7
135.11700	31.0
137.09601	3.8
137.13298	4.0
139.07622	3.2
141.12746	4.6
143.08560	2.9
143.10666	8.7
145.04993	2.8
145.10173	19.1
147.11707	22.1
149.13264	55.1
153.12750	9.3
157.10153	7.3
159.03047	2.9
159.11720	22.2
161.09657	3.3
161.13290	19.7
163.03816	4.3
163.14841	14.2
169.10068	4.6
171.11723	5.6
173.13245	20.3
175.14845	10.8
177.16432	4.7
183.11693	4.3
185.13281	4.3
187.14807	16.9
189.16414	7.9
191.17938	8.5
193.15962	6.5
195.11658	3.3
201.16380	11.1
203.17972	48.1
213.16385	4.6
215.17857	14.0
217.19463	3.1
227.17928	5.0
229.19620	2.9
271.24268	25.0
287.23792	4.3
289.25266	32.7
301.25333	4.6
307.26297	5.9
325.25174	3.0
342.12817	3.0
349.16977	8.6
379.26184	6.5
397.27350	4.2
402.77014	2.6
415.29355	2.7
501.28485	5.6
519.29517	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	556.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
69.39595	3.9
70.94136	0.5
71.05000	0.8
77.03931	1.1
79.05496	0.7
81.03426	0.8
81.03959	0.5
84.04510	2.5
84.08144	1.2
85.02922	1.3
91.05486	10.3
93.07059	12.2
95.04975	2.6
98.20938	1.9
98.98475	6.8
103.05472	11.1
105.04543	1.6
114.10287	0.7
117.05652	0.6
121.06514	48.5
125.00016	14.7
130.06512	1.2
131.04887	0.7
144.04546	1.0
158.06100	0.9
160.03961	1.5
160.07607	1.6
160.94916	0.5
162.05510	1.3
163.03859	0.8
170.06023	1.4
176.07068	0.9
178.05034	1.0
186.05486	4.8
188.07124	3.7
190.05171	0.7
192.06554	4.0
194.08145	7.3
202.08665	2.8
204.06635	7.6
206.08202	2.1
218.08150	21.6
220.06143	2.3
220.09694	38.4
222.07719	0.9
228.06609	1.1
232.06142	1.7
234.11336	1.9
236.09157	3.3
238.07248	1.3
238.10808	1.9
246.07637	9.7
262.10715	6.9
264.08701	8.9
278.10278	3.3
280.08109	1.9
294.13290	4.1
302.04163	2.6
306.09760	13.8
316.05817	3.8
318.07364	4.3
320.11307	2.0
324.10947	1.2
330.03806	1.6
344.05240	4.2
360.08371	2.0
362.06354	6.3
376.08157	0.9
392.11176	1.1
404.07468	22.7
418.09189	2.3
436.10364	0.9
458.18085	5.7
476.19177	1.7
482.12021	0.6
514.14734	1.8
524.12866	0.7
556.15802	100.0
557.16412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.5
65.72922	0.4
67.05476	0.4
68.86250	0.5
69.07043	1.8
69.49037	2.6
73.02894	0.9
73.06540	0.8
81.03397	0.4
84.75172	0.4
85.02898	0.5
91.05454	0.8
93.07028	0.6
94.33020	0.4
97.06507	0.8
98.97581	0.4
103.05427	0.5
119.04920	0.5
120.04443	0.7
121.06519	2.8
125.02132	0.5
130.06526	0.5
131.04846	0.6
137.05933	1.8
138.05470	0.6
148.03911	1.5
152.03448	0.6
152.07072	1.1
158.09612	0.8
161.78296	0.5
162.31308	0.4
164.07062	1.8
172.11237	2.2
176.07053	0.7
180.06560	14.7
190.04977	0.9
190.08635	1.6
202.08525	0.6
216.10139	2.7
217.10957	1.0
218.11774	1.0
230.11497	4.3
232.13338	46.8
240.08678	4.7
246.07289	0.5
250.14420	3.5
260.12619	5.4
262.06830	4.4
272.12561	0.9
274.10355	0.6
290.13614	3.6
294.13324	2.1
302.13632	1.2
314.13599	3.5
332.14694	100.0
333.15271	0.6
354.15479	18.6
376.13681	28.3
412.21350	1.6
434.19296	2.0
512.22601	3.5
556.21533	39.3
557.21826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.05491	1.3
55.78797	0.6
57.01194	0.7
59.04972	1.5
61.03805	0.6
62.20140	0.7
67.05489	0.9
68.55949	0.6
70.95229	0.6
71.56500	0.7
79.05462	1.0
81.07029	1.5
82.59534	0.6
85.02867	0.7
87.04428	0.7
91.05447	1.4
93.07011	1.8
95.04909	1.9
105.06978	1.0
116.57317	0.7
119.08530	1.0
121.06499	7.0
131.08592	0.9
134.05942	0.9
142.03236	0.8
148.03914	2.1
151.06267	1.6
152.07051	2.0
158.09547	0.9
162.05496	0.8
163.03984	0.9
164.07022	2.8
165.12766	1.1
166.04971	1.9
173.89919	0.6
178.08797	0.7
179.05772	2.0
180.06590	9.3
186.08998	1.2
190.05026	3.5
194.08133	13.9
204.10217	3.3
208.06018	1.1
218.11769	17.0
245.10240	9.6
250.14412	1.6
253.51407	0.7
254.10204	8.9
260.12607	9.4
263.11566	1.1
266.10254	0.8
276.08450	8.7
278.13721	2.4
282.11404	0.7
290.13669	6.6
294.13446	2.2
300.12152	0.9
307.80716	0.6
332.14709	100.0
350.15790	1.8
354.15512	26.6
374.15942	0.8
376.13708	35.6
398.19571	4.7
420.17883	1.3
480.19843	1.5
497.22818	1.6
512.22980	4.0
556.21576	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	556.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.4
56.96582	0.4
61.02908	0.3
69.03441	0.7
70.99664	0.6
71.01378	0.3
75.65922	0.3
77.94198	0.3
79.05494	1.3
81.03432	0.4
81.07062	1.1
83.04984	1.2
85.02895	2.7
91.05496	1.1
93.07038	3.2
97.02886	1.7
98.97594	1.1
99.04478	0.4
103.05472	7.3
105.01891	0.3
105.07037	0.9
107.04961	2.2
107.08534	0.3
109.02866	0.5
109.06602	0.3
110.97562	0.3
116.98642	0.4
119.04930	0.4
120.08112	100.0
121.06503	0.6
121.08426	0.4
123.08024	0.3
127.03929	1.1
131.04941	3.6
133.06491	1.1
135.04419	0.6
135.08061	0.5
137.05974	3.5
145.04900	1.3
147.04440	1.1
149.05977	2.6
151.07533	0.9
153.09161	0.5
158.99689	0.4
161.06007	0.9
163.03915	2.6
163.07520	0.3
164.68878	0.3
166.08647	55.7
167.07053	2.9
175.07622	0.7
177.05576	0.5
179.07048	2.4
181.08649	1.0
187.07564	1.4
189.09128	0.6
195.10112	0.3
197.08105	7.4
211.09647	4.0
213.06036	0.2
215.09163	0.4
217.08714	0.4
219.01738	0.6
237.02852	0.5
279.10098	0.3
323.12872	0.6
341.13580	1.2
415.08594	0.3
556.17590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15275	0.7
57.03437	1.3
60.68348	0.6
61.02942	1.0
62.51656	0.6
64.13966	0.6
66.91875	0.7
69.03429	2.7
70.60088	2.2
72.81168	0.7
73.02906	0.6
79.05477	1.3
79.79591	0.6
81.03427	1.0
85.02913	8.1
91.05487	2.3
93.03401	1.4
94.04179	2.0
95.04975	2.0
97.02890	2.8
103.05479	12.5
107.04957	1.6
109.06506	2.7
115.05453	1.9
119.04951	2.6
122.03668	4.7
123.04443	2.1
125.05970	1.6
127.03967	0.9
128.06235	2.3
129.07011	8.4
129.07921	1.0
131.04935	25.0
131.08562	1.2
137.05986	100.0
143.04915	2.1
143.08510	1.0
144.05759	2.3
145.04999	2.3
145.06477	1.9
147.04451	3.7
149.05991	1.9
151.03923	6.1
151.07584	3.9
153.05469	2.2
157.06497	9.4
158.07248	1.0
159.08116	1.0
160.05205	4.2
161.06015	2.0
161.09599	1.0
163.07564	5.7
165.05498	11.4
171.08046	1.3
172.05194	6.1
174.06766	9.0
175.07562	24.8
177.28413	0.8
179.07027	2.2
180.08615	0.8
182.53685	0.7
185.05980	1.1
187.07556	67.7
188.08260	1.1
189.09109	23.1
189.10730	1.4
191.08559	2.6
193.05031	0.9
197.08148	0.9
199.07503	3.6
201.09048	1.4
202.07837	1.3
203.08569	5.7
205.06735	1.2
205.08623	3.3
208.08839	0.7
217.08618	24.9
219.08060	7.5
220.08858	2.4
225.07524	3.2
231.08070	8.7
232.08907	2.1
233.05974	1.4
233.09579	1.0
235.07567	1.2
235.09673	1.8
236.08456	1.2
239.07004	0.9
247.07579	6.6
248.08354	7.2
251.10753	3.3
255.06538	1.8
259.07486	3.2
260.08365	0.9
261.09119	2.6
263.07932	1.2
263.10651	9.6
264.07895	1.6
265.08578	3.7
270.08893	3.3
271.09763	2.9
276.07788	3.7
277.08694	2.0
279.10181	11.5
279.13046	1.0
280.10849	1.3
281.08163	1.6
281.11530	0.7
283.09741	1.6
291.10181	20.2
292.10721	1.0
293.08142	2.3
293.11456	0.8
296.10410	5.4
297.11224	1.3
308.10458	2.2
311.12796	17.2
323.12799	31.3
329.13663	1.3
341.13855	79.2
359.10989	0.8
453.18555	0.6
497.04367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01871	3.1
55.43171	0.9
61.02935	1.1
65.03923	1.6
69.03424	3.3
70.06599	4.2
70.82760	2.0
79.05482	2.9
81.07074	1.4
82.27922	0.8
85.02913	8.5
86.16902	0.9
91.05480	26.4
93.07035	1.9
94.04204	2.5
95.04974	3.1
95.06097	2.1
95.08592	0.8
97.02884	2.9
103.05466	12.8
105.03384	7.3
105.04491	0.9
105.07038	9.4
105.45490	0.7
107.04976	4.9
107.08645	1.1
109.06516	6.5
112.07583	5.1
115.05486	2.4
117.07034	2.0
119.04949	36.5
119.08566	0.9
121.06477	3.5
122.03679	5.1
123.04427	3.5
123.08072	2.6
125.05972	1.1
127.03932	1.5
128.06244	1.1
129.07002	2.7
131.04927	20.8
131.05952	1.1
131.39760	0.8
133.06505	8.1
135.04370	1.2
135.08051	1.3
137.05983	100.0
138.80399	0.8
140.07071	2.2
143.04936	1.3
143.06024	0.8
145.04980	2.2
145.06438	1.9
147.04410	17.7
147.08044	2.2
149.05988	4.2
151.03867	1.2
151.07547	16.6
157.06526	3.6
159.08038	2.4
160.05173	1.5
161.05998	23.6
162.06775	5.8
163.03856	2.3
163.07553	19.3
165.05476	2.6
172.05234	1.5
175.07561	19.7
177.09123	1.6
179.07051	19.4
179.08566	1.8
187.07545	10.8
189.09138	6.7
190.06203	1.4
191.08640	1.5
193.08643	5.8
194.08128	3.7
203.08662	1.3
205.08575	8.3
217.08568	7.1
219.08043	3.9
219.09981	1.4
231.08125	2.3
235.09633	9.4
238.07101	1.2
247.07556	2.5
248.08298	2.4
251.10724	3.6
259.07480	1.8
263.10745	2.9
279.10095	5.2
281.07922	1.2
281.11377	0.8
291.10178	6.6
296.10367	1.0
297.51489	1.0
309.11185	12.8
311.12817	13.3
323.12827	8.9
329.13809	6.6
341.13858	12.0
359.14780	1.5
392.13297	1.4
402.11075	0.8
402.81238	1.1
438.73053	0.9
512.19971	1.0
556.18219	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	556.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08591	0.8
55.01855	0.9
56.06203	0.8
56.96563	1.0
57.03402	1.0
59.11789	0.8
61.02922	1.3
62.78817	0.7
69.03426	3.8
69.76871	5.2
70.06590	1.4
71.04988	1.8
80.99709	0.8
81.03391	1.7
84.08170	1.3
85.02909	12.7
91.05471	2.6
93.03405	1.4
93.86584	1.0
94.04174	1.9
95.04926	1.1
97.02879	4.6
98.20818	1.3
103.05483	4.3
107.04911	1.0
107.49557	0.8
109.02908	1.4
109.06518	1.2
115.05452	2.1
117.03397	3.1
117.07009	1.8
119.04933	2.9
122.03632	5.0
127.03934	2.5
128.06238	2.0
129.07019	9.2
131.04953	12.6
133.06526	1.1
134.05876	0.9
137.05986	100.0
143.04930	2.1
144.05678	1.0
145.02829	3.9
145.04929	2.4
145.06445	2.4
147.04395	2.8
149.06026	5.6
151.03911	2.0
151.07573	2.7
152.07066	1.0
153.05469	3.9
155.04903	1.1
157.06499	12.2
160.05194	2.1
161.05951	5.6
163.03874	2.8
163.07532	7.5
165.05573	1.1
166.91270	0.9
172.05191	1.3
174.06758	4.7
175.07536	15.8
177.05482	8.4
177.09113	2.6
179.07039	2.3
180.08588	1.3
185.05949	1.2
187.07556	18.0
189.07361	1.6
189.09116	27.3
191.06985	1.4
191.08607	2.1
199.07524	1.6
202.07571	0.9
203.08572	3.7
205.08614	5.6
207.10168	2.4
217.08617	22.5
219.08031	2.7
219.09972	1.1
220.08865	1.5
231.08064	4.0
233.05998	1.0
235.09666	35.0
245.09691	1.0
247.07576	3.0
248.08336	4.9
251.10783	2.4
259.07587	1.7
260.08237	1.4
261.09003	1.1
263.10715	5.3
264.07727	1.3
265.08533	2.5
270.08749	1.6
271.09683	2.0
276.07913	1.5
277.08429	1.2
279.10193	7.4
283.09479	0.9
291.10168	16.7
296.10464	2.7
308.10443	1.6
309.11111	2.0
311.12787	17.2
323.12799	23.2
329.13831	15.0
341.13840	29.4
359.15015	2.8
405.20715	1.0
556.17059	1.0
581.11963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.3
55.05511	11.0
57.03440	7.5
57.07079	82.5
61.02916	4.0
67.05511	27.9
69.03436	57.0
69.07069	16.3
70.15742	7.2
71.05000	2.9
71.08636	63.2
71.47864	2.1
73.02913	2.0
79.15397	2.0
81.03425	75.8
81.07065	35.0
83.08626	22.7
85.02911	67.5
85.10188	36.5
87.04499	2.4
89.06050	13.9
91.05465	4.9
93.07051	5.0
95.08617	55.0
97.02894	62.5
97.10181	13.6
99.04476	10.8
103.03959	2.9
103.05482	3.6
108.04475	5.5
109.02884	44.9
109.10162	27.0
111.11727	4.1
121.06520	32.5
123.11731	12.7
125.13274	2.6
127.03925	83.2
133.08607	9.4
137.13239	4.1
139.14819	2.5
145.04965	38.0
151.14886	2.9
151.20409	2.2
153.42421	2.1
173.20789	2.1
177.11221	3.7
177.54892	2.2
221.22635	3.0
239.23711	90.8
247.09697	3.3
257.24738	11.3
283.26413	2.6
298.27460	2.8
365.27011	2.6
371.22580	5.0
383.27963	87.6
401.29019	100.0
453.97577	2.4
556.52991	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	556.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01872	2.1
55.05513	9.2
57.03440	7.7
57.07077	25.7
67.05171	1.3
67.05506	16.7
69.07066	9.1
69.74689	3.3
69.75120	3.7
70.06576	2.1
71.04960	1.6
71.08285	1.3
71.08636	19.4
77.42004	1.2
79.05069	1.1
79.05504	16.8
81.03426	2.0
81.07061	20.2
83.04974	2.5
83.08620	12.3
85.10184	10.8
89.06037	6.9
91.05491	5.3
93.07046	22.0
95.04957	4.1
95.08615	35.8
97.02890	2.5
97.06544	2.7
97.10173	5.0
99.04449	2.5
105.07029	4.4
107.04996	5.6
107.08601	21.2
109.10161	8.2
111.08047	1.7
111.11713	1.5
117.07041	6.7
119.08580	7.5
121.06528	3.2
121.10150	9.0
123.11694	2.0
125.05979	1.4
133.08591	2.8
133.10143	2.6
135.08055	2.3
135.10672	2.4
135.11700	37.7
139.07480	1.5
144.49078	1.2
145.10139	23.4
155.08449	1.4
163.11201	45.8
177.11183	1.2
181.12251	7.9
195.77986	1.0
209.11717	1.6
227.12794	65.2
239.23633	1.6
253.20219	1.2
256.26385	1.2
257.24646	1.8
283.15414	69.6
283.26303	7.6
300.28961	3.6
313.27377	100.0
314.86429	1.2
371.22919	2.0
521.38409	77.7
556.45367	0.8
556.53033	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	557.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.5
56.96553	3.3
57.03450	5.6
61.02916	5.1
66.89091	2.9
69.03428	18.6
69.50146	19.4
70.06577	3.1
71.04994	3.4
73.02901	10.3
73.90028	2.7
81.03419	5.8
81.07052	7.9
85.02906	54.9
91.05467	8.6
93.07019	3.3
95.04976	3.1
97.02892	26.1
98.97594	23.0
99.04417	3.3
101.00877	21.4
103.05486	5.4
109.02883	5.9
109.06511	9.7
110.97561	6.1
113.00867	10.8
115.03911	4.5
116.98626	3.7
119.01932	37.4
119.04951	5.2
121.06522	26.4
123.05546	4.5
127.02367	8.8
127.03919	15.7
128.98566	5.1
131.01909	21.8
133.03473	7.6
133.37233	2.7
135.04391	8.1
136.06178	6.3
137.02924	4.7
137.04843	3.2
137.05983	57.4
143.00146	2.8
143.01920	32.3
145.03542	21.2
145.04976	9.5
147.04404	4.4
149.02898	4.4
152.05678	2.7
152.98340	2.6
153.04053	3.2
155.01917	30.3
156.02719	3.7
157.03455	23.7
158.99646	4.7
161.02975	34.7
163.03893	26.9
164.04262	2.7
167.01895	6.7
169.03421	18.8
170.99702	3.2
171.05035	7.8
173.02982	35.9
175.04556	7.5
177.00719	3.7
179.02026	2.7
181.03459	3.9
183.05107	4.8
185.03001	30.6
185.06583	3.8
187.03020	4.1
187.04431	14.5
189.00809	3.6
195.05005	10.6
197.02980	18.0
197.06625	8.3
199.04507	5.0
203.04005	24.7
205.05556	6.6
207.05045	5.5
211.04529	5.2
213.02344	3.3
213.06036	9.5
214.78374	2.8
215.04018	12.0
219.01822	4.0
219.05112	3.6
221.02951	8.5
221.04912	42.7
223.04539	9.4
223.06613	17.4
225.06047	9.4
227.04109	6.8
227.06363	3.0
231.05188	4.3
233.06650	8.6
235.04596	6.2
237.02769	5.6
237.06070	30.5
239.04204	3.9
239.07639	3.1
241.03284	45.4
241.07446	4.6
245.05084	61.6
249.06085	27.1
251.07736	6.9
255.07205	15.7
257.05066	3.8
259.04388	13.8
261.06171	8.6
263.06097	4.6
267.07169	16.4
273.06107	13.3
275.02570	9.0
275.06088	53.8
279.04086	3.2
279.07095	10.6
287.05988	5.5
291.07239	12.4
293.07278	5.3
305.07355	8.5
318.10599	8.8
323.09653	10.6
327.09265	11.5
329.07648	3.3
335.07913	6.8
339.09286	48.0
340.09247	3.7
357.10321	100.0
365.09433	11.8
375.06961	87.8
375.11417	2.5
377.09753	5.6
380.11847	4.7
383.07898	5.2
395.06778	5.4
437.09155	4.0
455.14154	7.3
521.17273	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	557.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15443	0.3
65.03934	1.5
70.12187	0.9
75.84865	0.3
76.56335	0.2
81.07059	0.7
85.02872	0.3
85.06553	0.4
91.05486	21.2
93.03414	0.4
93.07023	0.3
95.06088	1.1
96.06432	0.3
97.02895	0.6
98.21378	0.4
107.04967	0.4
109.06525	1.2
111.04433	0.6
119.04955	12.9
121.02860	1.8
123.00800	0.3
131.04941	0.4
135.04482	0.4
135.08052	0.3
136.07550	0.4
137.05984	100.0
138.06352	0.4
139.03928	0.5
141.06424	0.3
147.04439	0.5
149.02356	2.3
153.05501	1.5
162.87489	0.3
163.03929	0.4
164.07077	0.9
165.05479	0.4
167.03436	0.9
171.65096	0.3
177.05431	0.6
181.03389	0.5
181.04964	7.1
191.03363	0.7
205.05022	0.7
209.04463	0.3
223.06070	1.6
241.07042	0.4
303.08640	0.5
316.13037	0.6
317.13391	0.7
335.15897	0.3
427.97794	0.3
557.16193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.2
51.02380	0.6
53.03949	2.2
55.01877	0.8
65.03944	0.5
71.30545	0.3
77.03921	0.6
78.04719	0.2
79.05482	0.2
81.03395	0.5
84.59518	0.2
86.47076	0.2
91.05486	11.1
93.03412	0.2
93.07051	13.3
94.02952	0.2
95.04977	3.5
95.08637	0.1
102.04712	0.2
103.05475	11.9
105.04531	1.3
115.05433	0.2
117.05835	0.2
117.07011	0.4
118.06541	2.2
121.06513	100.0
122.06830	0.4
130.06544	1.5
142.06512	0.4
143.07323	0.3
144.08072	1.8
146.06027	5.4
154.06494	0.3
156.08026	0.2
166.04990	0.9
167.07286	0.3
168.08107	0.9
169.07660	1.1
170.06024	1.0
171.08226	0.2
174.05569	0.2
180.08093	0.5
182.09654	0.3
183.06798	0.2
184.07707	0.2
185.07155	0.2
186.09088	0.2
188.07068	3.6
192.06557	0.3
192.08163	0.3
194.09616	0.7
196.07582	0.6
198.09129	0.8
204.08212	0.4
206.09747	0.4
207.09212	0.5
208.06082	0.4
210.09149	0.4
215.08157	0.5
217.09001	0.3
218.08392	0.9
218.09947	0.5
219.09222	2.0
220.07600	0.6
220.09830	0.3
230.08180	0.3
231.09077	1.1
232.10034	0.8
233.10617	0.9
234.09238	0.3
234.11435	0.2
235.08699	0.2
235.12311	0.3
238.08643	1.6
243.09157	1.4
244.10017	0.7
245.10742	2.8
246.11504	0.5
247.12419	0.4
248.07140	0.2
248.09505	0.2
249.06525	1.0
250.07373	0.3
252.08946	0.2
256.09793	1.3
258.07849	0.2
261.10312	0.6
262.07315	4.9
262.11035	0.3
263.08182	4.9
263.11386	0.3
264.08859	0.7
265.09811	0.8
271.08768	0.7
272.09360	0.3
273.10318	0.8
275.08173	6.6
276.08945	4.6
277.09656	0.7
278.10449	0.4
279.08093	0.3
279.11343	1.0
287.08051	0.3
289.09717	10.4
290.10504	0.7
291.11288	7.0
293.09186	0.2
298.10583	0.2
299.08279	0.4
302.06912	1.7
307.10797	3.9
309.08807	0.3
309.12265	0.4
315.07596	0.2
317.09155	2.2
328.11859	0.3
335.10272	76.7
336.10556	0.8
349.11667	0.2
351.09753	0.3
351.13486	0.3
353.11267	0.6
377.11548	0.7
395.12402	29.5
396.12698	0.4
437.13474	5.3
455.16052	36.2
456.16086	0.2
473.17401	0.2
515.18182	23.6
516.18463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1995
Annotation	Roritoxin D
Peak:m/z	Relative Intensity
69.92236	1.4
69.92642	0.6
74.40125	0.3
112.71198	0.3
115.39162	0.3
122.09086	0.3
145.02893	0.6
177.05508	0.6
179.61464	0.3
185.04225	0.7
237.97256	0.3
267.42044	0.3
271.05963	1.7
309.09579	0.7
314.76462	0.3
322.39664	0.4
322.43707	0.4
395.14725	0.9
557.19989	100.0
558.20270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.1
52.82450	1.0
53.03942	4.0
53.61296	1.0
54.04653	1.0
55.01872	3.6
55.05516	16.6
57.03444	6.8
57.07088	6.0
57.66226	1.0
65.03910	1.8
67.05508	29.9
67.66133	1.0
69.07077	12.7
69.31022	5.6
69.31446	4.3
71.05003	2.4
71.08657	2.4
79.05499	28.4
80.67245	0.9
81.03435	2.1
81.07063	32.0
83.04985	3.3
83.08633	9.4
85.02879	1.3
85.06536	3.4
91.05486	27.4
93.07050	29.0
95.04983	4.8
95.08611	25.5
97.06535	4.1
97.10164	4.2
98.98471	3.3
99.08086	1.4
105.07041	28.6
105.07744	1.7
107.04958	4.5
107.07954	1.7
107.08602	16.5
108.89346	1.2
108.98210	1.0
109.06539	2.6
109.10145	8.0
111.08138	1.6
113.09662	1.2
115.05453	2.4
117.07027	11.6
119.08578	21.1
121.10156	8.1
123.08092	1.9
123.11723	2.9
125.09650	1.5
128.06256	4.1
129.07007	18.4
129.07893	1.4
131.08575	22.6
133.06502	1.3
133.10129	17.5
135.08070	2.3
135.11668	6.1
141.07011	7.6
142.07796	3.1
143.08577	19.3
145.06570	1.2
145.10124	24.0
147.08040	1.9
147.11687	15.1
147.12776	1.4
149.09665	2.9
149.13269	3.3
153.07082	1.1
154.07829	1.9
155.01030	5.6
155.08568	18.7
156.09378	1.4
157.10127	15.9
159.08136	1.5
159.11717	14.1
161.09639	2.5
161.13258	10.9
163.11220	1.8
167.08528	7.1
168.09393	2.0
169.10136	18.2
171.08153	1.2
171.11676	19.3
172.98747	1.0
173.13278	10.0
175.11255	1.2
175.14818	3.4
177.12805	1.5
179.08562	3.5
181.10081	10.2
182.11024	1.6
183.11716	14.2
185.09607	1.2
185.13274	13.5
187.11226	1.9
187.14902	4.3
189.12799	2.4
193.10141	4.4
195.11729	9.5
197.13309	11.6
199.11217	2.1
199.14828	7.4
201.16476	1.7
207.11748	3.5
207.13846	4.4
209.13318	7.1
211.14746	6.8
213.16431	5.4
219.11752	1.4
221.13376	3.6
223.14827	4.2
225.16417	3.1
231.17482	1.5
231.21117	2.1
233.15564	1.1
235.14833	2.0
237.16370	2.7
239.18033	1.6
241.19534	5.9
247.16966	3.1
249.16318	2.5
251.17880	1.9
257.19080	2.2
259.20624	12.3
267.17319	1.2
279.16061	4.2
281.17374	8.3
283.20667	1.3
287.20007	2.4
293.19077	1.2
295.20599	1.9
297.22122	2.1
313.21753	1.4
313.27396	8.0
315.23468	1.4
321.22040	1.7
323.23792	1.9
325.21802	1.8
327.23148	1.7
333.24332	5.0
335.23798	2.2
341.24841	1.2
349.25345	1.8
351.23334	1.3
353.24622	2.2
363.26978	1.2
367.26074	1.7
379.26434	1.8
419.33194	1.9
429.31613	4.0
435.33243	1.4
437.34216	9.2
441.17175	1.2
447.32642	19.2
455.36035	1.1
465.33636	20.9
483.34760	15.3
485.33606	1.6
501.35822	2.3
521.36249	9.4
527.37305	2.9
529.38953	8.3
539.37354	100.0
557.38416	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75260	0.9
53.03942	4.2
55.01878	2.9
55.05262	1.7
55.05514	19.2
55.36217	0.9
57.03438	5.2
57.07071	2.6
60.56634	1.1
65.03943	2.0
67.05510	34.4
69.07075	14.3
70.73331	2.3
71.04991	3.7
72.08165	2.7
77.59589	0.9
78.15906	0.9
79.05497	35.8
81.03417	3.4
81.06577	1.8
81.07063	32.8
83.04984	3.8
83.08630	8.3
85.06545	2.8
91.05489	31.3
93.07053	31.4
95.04969	5.8
95.08614	24.9
97.06525	4.4
97.10167	3.5
99.08115	1.1
103.05450	1.1
105.07042	29.9
107.04977	3.3
107.08601	15.7
109.06554	1.6
109.10163	9.6
111.08103	1.9
115.05423	1.8
117.07018	13.0
119.08593	25.3
121.06556	2.7
121.10163	10.7
123.00211	1.0
123.08089	2.8
123.11717	2.1
125.09620	2.2
128.06242	3.3
129.07013	18.5
131.08577	25.2
133.06522	1.4
133.10139	13.4
134.67270	1.0
135.08054	2.3
135.11720	6.8
137.09647	1.2
141.06990	6.7
142.07805	3.0
143.08565	17.0
145.06552	1.3
145.10138	25.9
147.08064	1.4
147.11700	14.8
149.09625	2.1
149.13300	4.0
153.07019	1.4
154.07826	2.0
155.08563	16.6
156.09386	2.8
157.10138	18.7
159.08054	2.2
159.11711	15.1
161.09659	2.8
161.13281	9.8
163.14807	1.9
165.07077	1.4
166.07790	1.9
167.08591	7.7
168.09406	2.9
169.10136	20.1
170.10959	1.3
171.08023	1.2
171.11688	20.7
173.09695	1.8
173.13274	11.7
175.14816	5.6
177.12744	1.9
179.08609	3.4
181.10138	11.5
182.10938	1.9
183.11702	16.7
185.09665	1.3
185.13271	13.6
187.11243	1.9
187.14825	5.2
189.12794	2.4
193.10178	2.3
195.11707	11.1
196.12636	1.2
197.13274	13.1
199.14845	7.1
201.16388	2.2
203.14359	1.1
205.10243	1.6
207.11768	3.7
207.13870	5.2
209.13301	7.5
211.14809	8.7
213.12842	1.3
213.16423	7.3
219.11923	1.3
219.17368	1.2
221.13286	2.7
223.14948	4.7
224.52327	1.0
225.16435	2.7
227.17857	1.6
231.21130	1.4
233.13373	1.9
235.14882	2.7
237.16484	4.3
239.17964	2.4
241.19588	7.4
247.17033	1.9
249.16364	1.6
251.18053	1.8
253.19608	1.3
257.19058	2.0
259.20575	13.7
261.22177	2.0
279.16061	3.6
281.17386	10.0
297.22025	1.5
309.22098	2.2
311.19907	1.1
313.21744	1.3
315.23380	1.7
321.22308	2.6
323.23776	3.5
325.21536	1.4
333.24475	6.0
335.23630	2.5
337.25388	1.4
339.23260	1.7
341.24872	1.4
349.25293	2.8
353.24939	2.8
363.27100	1.2
379.26495	1.3
419.33130	3.2
429.31693	5.2
435.32767	1.6
437.34219	11.2
439.12067	1.1
447.32626	21.1
465.33759	24.6
483.34741	14.1
495.34537	1.1
501.35999	2.1
503.35318	1.7
511.37927	2.2
521.36353	7.9
521.64978	1.0
527.36963	1.9
529.39050	8.7
539.37354	100.0
540.38110	1.6
557.38440	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11712	1.3
51.02374	1.3
53.03942	4.1
55.01865	3.1
55.05268	1.1
55.05518	18.5
57.03429	4.9
57.07072	4.1
62.00573	1.0
65.03950	2.2
67.05508	38.6
69.07072	15.3
69.83260	4.7
71.05004	1.9
71.08620	2.1
79.05497	33.5
79.05960	1.7
81.03441	2.0
81.07066	37.8
83.04997	5.3
83.08205	1.0
83.08624	7.6
85.06551	3.2
89.06030	2.0
91.05484	37.3
93.06465	2.2
93.07051	34.3
95.04981	4.8
95.08615	26.2
97.06532	2.6
97.10184	3.8
98.20715	1.5
103.05466	1.1
105.04513	2.1
105.07037	31.9
107.04970	4.2
107.08597	15.4
109.06501	3.7
109.10173	9.4
111.04424	2.4
111.08102	1.7
115.05446	2.9
117.07040	13.2
119.08591	27.0
119.09448	1.4
120.08134	1.8
121.06506	2.8
121.10155	10.8
123.08082	4.2
123.11680	1.9
125.09622	1.9
128.06235	3.8
129.07019	18.1
131.08578	26.1
133.06569	1.0
133.08635	1.4
133.10146	16.4
135.08041	1.4
135.11703	6.0
141.06990	7.7
142.07802	2.5
143.08578	22.9
144.09355	1.4
145.06497	1.5
145.10124	23.4
145.99600	1.1
147.08049	2.1
147.11705	18.2
149.09648	2.1
149.13269	4.8
151.11168	1.5
154.07803	2.0
155.08557	15.9
156.09386	2.6
157.10143	19.3
159.11703	16.1
161.09654	2.2
161.13278	10.9
163.11157	2.0
163.14848	1.4
165.07048	2.1
167.08629	6.9
168.09302	2.2
169.10149	19.8
171.11702	21.7
173.13290	11.4
175.14877	3.9
177.12698	1.2
179.08556	2.4
180.09308	1.5
181.10146	11.2
182.10922	1.9
183.11708	16.4
185.13214	12.0
187.11255	2.4
187.14883	4.3
189.12825	2.7
193.10138	3.9
194.10799	1.4
195.11755	10.7
196.12595	1.2
197.13266	12.0
199.11337	2.2
199.14856	5.8
201.16510	2.5
207.11781	4.4
207.13846	4.0
209.13286	7.4
210.14066	1.2
211.14763	8.1
213.12868	2.1
213.16425	7.3
217.22374	1.2
219.11694	2.2
221.13303	3.7
223.14905	6.1
225.12865	1.3
225.16420	3.9
227.17935	1.9
233.13339	2.8
235.14742	2.1
235.16914	1.3
237.16376	3.2
239.17995	3.1
241.19514	7.1
247.16933	1.3
251.17944	1.7
259.20596	13.8
261.16302	1.9
261.22116	1.2
275.20282	1.3
279.16000	3.4
279.20871	1.7
281.17456	13.3
283.16751	1.2
287.20172	1.7
293.22684	1.6
295.20676	1.5
297.22122	2.3
307.20822	1.8
307.24127	1.4
309.22189	1.4
311.20135	1.9
313.21613	1.9
321.22119	1.5
323.23761	4.0
325.21597	1.3
327.23355	2.6
333.24420	5.8
335.23813	2.0
337.25464	2.1
339.23355	2.9
341.24783	1.6
349.25134	2.8
353.24899	2.8
372.23776	1.1
419.33096	3.3
429.31790	5.8
435.32834	1.3
437.34341	8.5
447.32639	22.6
455.35175	1.1
465.33682	22.0
483.34766	14.5
493.36630	1.7
501.36200	2.6
503.35019	1.3
511.38101	2.5
521.36243	8.9
527.36914	1.7
529.39081	6.1
539.37396	100.0
557.38422	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	557.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01862	3.3
55.05513	19.9
56.96561	1.6
57.03431	6.2
57.07071	4.6
61.07791	1.3
65.03943	3.3
67.05509	38.5
69.07072	19.1
69.78403	6.4
71.04987	4.7
75.69367	1.4
79.05498	29.4
81.03423	4.6
81.07059	38.2
83.04980	5.1
83.08629	8.7
85.06567	2.0
91.05486	34.7
93.07056	31.5
95.04970	5.0
95.08614	29.4
95.09164	0.9
97.06537	3.2
97.10184	4.8
103.05469	2.0
105.07040	31.1
107.04965	5.0
107.08593	15.3
109.06588	2.1
109.10155	13.4
110.54224	1.4
111.08087	2.8
115.00031	1.5
115.05464	1.8
117.07021	13.5
119.08587	25.0
121.06515	4.3
121.10149	9.5
123.08100	3.7
123.11723	4.2
125.09615	2.0
128.06206	3.7
129.07013	14.1
131.08575	26.3
133.06461	2.3
133.10121	13.4
135.11723	5.1
136.93222	1.4
137.09624	1.8
139.11166	1.5
141.07004	7.2
142.07805	4.2
143.08580	22.8
145.06430	1.6
145.10136	22.6
147.08061	2.0
147.11703	13.9
149.09683	3.0
149.13322	4.2
151.11307	1.3
153.07072	1.6
154.07755	2.4
154.94191	2.4
155.08565	16.6
156.09372	2.1
157.10136	19.8
159.11681	14.4
161.09619	1.7
161.13264	9.7
163.11243	2.7
163.14925	1.5
165.07097	1.6
167.08562	8.5
168.09322	3.0
169.10153	21.2
171.08147	1.6
171.11703	20.6
172.95322	2.0
173.09738	1.4
173.13297	9.8
175.11224	2.3
175.14833	4.8
179.08592	2.9
180.09465	1.4
181.10138	11.1
183.11699	16.5
185.13239	12.6
187.14848	6.0
189.12849	3.0
190.96173	1.5
193.10193	2.4
195.11676	9.0
196.12480	2.3
197.13274	13.4
197.50813	1.4
199.14877	6.2
201.16447	3.2
207.11798	3.4
207.13773	3.7
209.13260	8.5
211.14783	8.9
213.12944	2.0
213.16341	8.2
219.11560	2.0
221.13255	2.7
223.14890	5.1
225.16444	4.3
235.14870	2.2
237.16377	2.2
239.18089	2.2
241.19606	6.1
247.17119	2.1
249.16406	2.6
251.17931	2.3
255.17825	1.4
257.19193	1.6
259.20593	12.2
275.20154	1.8
279.15906	4.4
281.17358	9.6
285.22189	1.6
299.23834	1.5
311.20160	2.0
313.21628	2.0
321.22083	2.6
323.23779	3.3
327.23135	1.8
333.24432	5.4
335.23624	3.2
337.27402	5.4
339.23141	1.6
353.24829	3.1
392.58618	1.6
419.33173	3.4
429.31836	3.9
437.34323	9.9
447.32547	24.0
465.33798	24.3
473.20187	2.1
483.34717	15.2
501.35974	3.6
521.36346	10.4
527.37488	2.7
529.38892	8.9
539.37378	100.0
557.29797	2.7
557.38434	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	558.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05496	0.7
70.06582	1.0
71.04968	1.1
71.56028	1.1
77.03973	0.7
79.05516	0.6
84.08144	1.2
85.02911	1.9
87.04464	1.2
88.10755	0.6
91.02493	0.7
91.05491	9.3
93.07057	10.4
95.04966	2.5
97.02900	0.9
98.98474	7.6
103.05476	10.8
115.05457	1.4
117.05760	1.3
118.06535	2.8
121.06519	52.3
125.00018	22.5
133.10164	1.0
134.09631	0.8
136.07652	1.0
142.06517	0.9
143.07336	1.2
144.04373	0.9
144.08096	2.8
146.06012	11.9
151.11205	1.1
156.10277	1.4
162.05482	1.4
162.09171	1.8
164.07072	1.2
170.06042	2.9
172.07578	10.5
176.07034	1.6
178.08656	20.3
184.13330	2.9
184.59412	0.6
185.13742	0.9
188.07114	6.9
190.08667	4.5
196.09758	1.9
198.05476	2.2
201.03152	3.0
202.08661	7.4
204.06656	1.6
204.08301	1.6
204.10222	31.1
206.08183	4.4
208.09695	1.1
216.06577	3.8
220.09747	7.6
222.07671	2.5
222.11270	40.2
230.08168	6.2
234.07658	2.8
240.12338	7.4
248.09196	22.3
252.08806	0.9
254.02625	0.6
266.10269	45.7
284.11377	2.5
300.06360	0.7
302.07776	1.9
314.04288	0.9
346.06671	5.2
360.14465	0.9
368.15762	1.2
368.66241	0.7
386.15894	7.3
404.17081	100.0
405.17365	0.8
420.10394	6.2
468.38510	0.6
484.13800	3.2
494.40662	0.6
540.16956	2.6
558.17407	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	558.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01064	1.3
54.98020	1.2
70.09164	5.1
72.20768	1.3
74.15146	1.1
75.14038	1.5
87.04461	5.3
91.05499	2.1
118.23812	1.2
121.06496	2.5
125.00027	43.0
137.05945	2.6
180.06555	4.8
190.04971	1.9
194.08148	2.6
254.10254	2.8
292.05850	17.0
323.03061	2.2
340.14056	6.2
346.06934	10.9
378.09515	100.0
380.08948	5.0
428.16800	2.1
466.12836	3.0
526.14801	6.5
557.32886	1.9
558.17377	46.8
558.33246	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	558.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37294	0.3
53.03937	1.0
60.40729	0.3
65.03918	0.6
67.05495	1.5
69.03423	0.5
69.07047	0.3
69.35577	2.8
70.06557	0.6
72.04501	0.3
77.03917	0.4
79.05492	0.8
81.03413	0.4
81.07053	0.3
85.02915	0.6
90.05535	1.0
91.05491	2.1
95.04977	22.6
97.02920	1.7
98.21516	0.8
98.51122	0.3
105.03380	0.5
105.04527	0.4
107.08576	0.4
109.06530	1.2
119.04942	1.7
121.06494	1.3
123.04435	9.1
133.02812	0.8
135.04419	0.5
135.08058	0.4
137.05991	12.5
139.12337	0.7
145.02853	1.4
147.04419	0.9
151.03915	42.5
165.05487	100.0
166.06026	0.5
175.03938	1.1
177.05496	2.1
179.07014	1.5
181.86926	0.4
183.06569	2.2
191.06990	0.6
193.04979	9.3
206.04549	0.5
207.06532	3.8
220.11707	2.2
225.07588	13.3
259.09622	1.6
269.08145	0.4
287.09326	1.8
329.10291	1.7
347.11362	2.7
361.12805	2.4
420.09219	0.5
430.49176	0.3
558.23492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.2
53.03950	1.0
55.01875	0.3
59.35372	0.2
59.77111	0.2
66.34814	0.2
68.07001	0.2
69.03425	0.2
69.27779	1.0
69.28206	0.9
69.95840	0.2
77.03935	0.4
81.03452	0.2
85.02889	0.5
86.09662	0.2
90.05557	0.5
91.05486	3.8
93.06468	0.4
93.07045	5.7
95.04957	1.4
97.02886	0.3
103.05471	3.6
105.04536	0.5
117.03391	0.3
121.06509	100.0
122.06851	0.5
135.04459	0.2
137.06061	0.2
139.03922	0.3
145.02864	0.9
149.02361	1.2
153.05489	0.6
165.05501	0.7
167.03426	1.1
177.05521	1.8
181.04958	3.7
182.16898	0.2
191.03406	0.2
202.10663	0.2
205.39082	0.2
209.04469	0.2
220.11787	1.0
223.06071	0.8
287.09064	0.2
337.70676	0.2
361.12756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82492	0.2
64.58668	0.2
65.03928	0.8
66.37510	0.2
67.05494	0.3
71.58733	0.4
79.05481	0.3
81.07062	0.4
91.05482	15.9
95.04965	2.4
109.06509	0.9
119.04945	10.1
123.04416	1.2
132.05444	0.2
135.08009	0.2
137.05980	100.0
138.06291	0.3
147.04532	0.2
151.03905	5.3
165.05481	12.0
193.04965	0.7
207.06529	0.6
225.07562	2.4
273.05350	0.2
287.09186	1.2
287.90033	0.2
306.03815	0.2
347.11240	0.8
361.12781	1.3
388.38599	0.3
392.19693	0.2
421.60269	0.2
530.94330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01863	2.5
55.05497	3.8
57.03433	2.3
57.07059	2.7
61.02924	1.7
67.05500	3.2
69.03426	6.7
69.07069	22.5
71.04985	3.6
71.56756	1.3
73.02914	1.6
79.05500	5.3
81.03425	9.1
81.07058	6.1
83.04936	1.1
83.08621	5.1
85.02914	16.6
87.00835	7.5
91.03992	1.0
91.05481	2.1
93.07050	8.2
95.04936	1.6
95.08613	8.1
97.02894	9.1
97.06528	8.5
99.04446	2.6
101.06042	0.9
103.73866	0.8
105.01873	4.1
105.03398	6.4
105.07020	1.0
107.08607	8.3
109.02882	8.0
109.10143	4.4
111.08075	3.3
111.11701	3.8
116.54595	0.8
121.06553	1.4
123.04420	6.1
126.05486	0.9
127.03088	1.2
127.03927	11.1
129.01750	1.5
132.30682	0.9
135.11702	28.5
145.04979	4.4
153.12758	46.7
155.59465	0.9
159.02888	4.9
171.13812	100.0
212.16444	2.0
231.05042	1.8
248.07571	0.9
255.01828	1.4
290.35089	0.8
293.17535	2.2
344.30289	1.0
451.14526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
57.07082	4.4
58.06592	1.8
65.03946	0.7
69.07063	1.4
69.82249	3.8
70.06596	17.5
71.08628	2.8
74.29938	0.6
81.07055	1.1
83.04987	0.7
84.04510	0.9
88.07635	20.1
91.05518	1.4
93.07053	1.1
95.05004	0.8
97.02903	1.4
98.20773	0.6
102.09185	13.2
105.03432	0.8
105.07033	0.8
110.01122	0.6
114.05566	0.7
121.06512	1.6
137.05994	1.8
149.02351	38.2
149.03273	1.4
156.17552	0.9
163.04146	0.7
175.79378	0.5
180.06613	0.8
182.45602	0.6
185.30173	0.6
193.04974	47.5
193.23573	0.6
200.20116	45.2
201.05487	1.0
219.06477	1.0
227.86839	0.6
297.03909	2.4
313.07138	2.5
333.15222	1.2
334.15317	1.1
341.06598	10.3
359.07538	5.4
385.09198	45.9
434.47424	0.6
558.27020	100.0
559.27502	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.01864	4.0
55.05509	10.6
56.96566	2.9
57.03440	3.0
57.07066	3.2
65.03947	2.7
67.05510	34.6
69.03431	16.0
69.07058	8.7
70.81701	1.4
71.01343	2.0
71.04999	1.7
71.58374	1.9
71.89365	1.4
71.95260	1.9
73.02895	1.5
74.21693	1.6
79.05499	20.1
81.03433	12.8
81.07061	38.8
83.04988	2.9
83.08625	5.2
85.02912	7.7
91.05491	27.8
93.07048	21.8
95.04982	2.7
95.08613	30.8
97.02885	4.2
97.06554	1.9
97.10162	3.0
98.97596	14.4
103.03940	2.7
103.05466	6.4
105.07030	18.3
107.08584	13.8
109.06500	1.7
109.10159	15.8
111.04459	2.6
115.05469	4.2
116.98620	8.1
117.07046	8.5
119.04950	15.0
119.08599	13.8
120.85989	1.4
121.06511	4.5
121.10143	12.1
123.04424	7.5
123.11716	6.1
127.03974	1.6
128.06227	5.9
129.07004	12.5
131.04941	9.7
131.08597	9.2
133.06526	8.5
133.10124	6.6
134.99628	3.6
135.04417	1.9
135.11711	10.7
137.05978	24.0
137.13208	2.6
141.06992	5.2
143.04927	3.4
143.08554	5.1
144.05644	2.0
145.06505	9.5
145.10098	7.6
147.04410	32.5
147.08078	2.7
147.11713	6.4
149.05984	15.4
149.13289	3.9
151.07547	15.5
151.11134	1.7
153.07021	3.9
155.08591	3.3
157.06512	6.4
157.10115	2.4
159.08049	1.8
159.11690	3.3
160.05229	1.7
161.06000	17.1
161.09627	1.7
161.13268	5.2
163.03909	5.8
163.07553	4.3
163.14812	2.2
165.05486	100.0
167.07097	4.0
169.06496	4.3
169.10074	2.4
171.07956	6.9
171.11800	2.0
173.06017	9.3
173.13271	4.0
175.07559	20.2
175.14832	2.1
177.05531	4.2
177.09109	2.8
177.12805	1.6
179.07043	12.5
181.04974	2.9
181.06477	6.1
183.04456	1.7
183.08098	2.0
185.05992	7.6
187.07597	3.9
187.14815	1.8
189.05447	7.5
189.09102	4.5
189.16394	1.6
191.07097	11.6
193.08580	2.4
195.06508	5.9
195.08141	1.9
197.06033	4.1
199.07471	9.3
201.05518	5.3
201.09209	3.1
201.16389	2.0
203.07076	15.9
205.08600	5.6
211.07581	1.8
215.07019	6.8
217.08636	13.1
219.06526	10.8
221.08009	7.3
227.07039	4.7
229.08575	1.9
233.08104	7.0
240.12079	1.8
243.06520	7.0
243.21021	1.8
245.08121	32.8
261.07581	5.6
261.22131	5.3
263.09134	21.9
279.23178	2.5
281.10159	3.4
303.23346	2.4
317.17841	4.9
318.18069	2.5
327.23132	3.1
345.24411	2.8
363.25266	2.3
370.22974	2.8
443.28024	2.8
481.29080	1.8
505.29312	4.8
523.30066	7.6
541.31049	11.0
559.23889	2.4
559.36328	12.1
577.37543	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
55.01886	5.7
55.05519	36.0
57.03428	12.0
57.07087	5.2
65.03941	8.0
67.05519	56.7
69.03445	14.8
69.07070	28.6
71.04996	8.9
71.57554	6.9
79.05502	74.3
81.03423	42.1
81.07069	61.8
82.25524	4.6
83.04992	13.8
83.08640	15.1
85.02916	18.9
91.05493	72.7
93.07056	100.0
95.04986	20.3
95.08640	33.3
95.74227	5.0
97.02896	21.0
97.06511	13.2
97.10178	7.1
98.98479	8.2
99.04461	6.3
103.05479	15.3
104.99803	5.0
105.07033	80.7
107.04934	14.4
107.08611	38.8
109.02858	10.9
109.06548	11.2
109.10191	16.2
111.04452	9.4
117.07048	39.7
119.08600	60.8
121.06517	68.7
121.10175	32.5
123.08096	6.1
127.03935	10.4
128.06255	5.5
129.06978	28.0
130.20627	4.9
131.08585	50.3
133.06503	13.6
133.10155	44.9
135.08040	12.6
135.11728	32.9
136.06213	6.3
141.07019	10.2
142.07791	7.8
143.08586	21.9
145.06529	7.1
145.10162	44.7
147.08069	7.8
147.11711	33.4
149.09691	8.5
149.13269	11.9
153.12732	7.3
154.07553	4.7
155.08545	14.9
157.06543	5.7
157.10165	24.3
159.08086	5.7
159.11699	35.1
161.13304	18.8
163.11266	5.6
169.10168	10.6
171.11707	25.3
173.09615	7.2
173.13268	18.9
181.10092	7.3
183.11734	13.5
185.13304	13.7
187.11311	8.0
187.14751	6.8
193.10277	4.8
195.11714	7.0
197.13321	10.6
199.14899	8.2
201.12906	6.4
209.13412	6.3
213.12801	5.1
239.17760	4.9
241.19502	10.0
257.19052	6.8
259.20715	19.2
261.22272	6.4
271.20612	10.1
273.18430	7.7
275.20181	17.0
277.21747	9.1
289.21640	6.4
301.21732	21.6
313.21677	8.9
323.97961	6.0
325.21799	9.9
335.25836	12.3
339.23303	10.7
343.22641	6.4
343.34903	5.6
349.21777	7.2
367.22815	21.9
385.23792	50.3
403.24878	42.9
421.25687	38.4
531.51520	6.0
541.35217	10.7
559.36414	11.0
563.43359	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	559.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.9
55.05514	29.7
57.03432	12.5
57.07072	10.2
67.05509	100.0
69.07056	19.3
71.59152	5.4
75.23798	3.9
79.05498	91.9
79.05956	6.2
81.03423	5.6
81.07057	78.3
83.04983	22.9
83.08609	15.9
91.05489	73.0
93.07051	89.6
95.04951	23.7
95.08609	52.5
97.06544	5.7
105.04522	5.0
105.07044	49.7
107.08604	35.0
109.06456	7.0
109.10175	13.6
111.04411	7.8
117.07025	14.6
119.08546	27.2
121.10143	18.7
123.08067	8.7
123.11740	5.8
129.07014	14.8
131.08556	8.3
133.10139	18.2
135.11713	10.2
143.08606	8.9
145.10135	15.2
147.08009	7.5
147.11667	39.7
149.13332	6.3
159.11664	7.9
161.13248	13.5
163.14828	5.4
171.11699	25.8
189.12669	7.4
207.13828	18.3
261.22205	11.1
281.17551	48.2
335.25888	66.7
369.45508	5.2
541.38965	88.1
559.39911	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	559.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.05499	22.8
57.03420	15.0
61.96471	6.0
63.00484	5.4
67.05174	8.2
67.05503	93.2
69.07060	24.1
71.59131	7.6
72.85543	6.3
79.05127	7.4
79.05498	86.5
81.03413	10.2
81.07062	89.5
83.04949	10.8
83.08604	15.6
91.05475	60.5
93.06567	7.9
93.07053	100.0
95.04962	22.3
95.08620	58.4
97.10147	6.6
105.07035	49.2
107.04947	9.2
107.08579	32.1
109.10140	13.6
117.06977	10.1
119.08567	33.1
121.10142	21.0
123.08006	7.7
123.11704	6.3
129.07021	13.6
131.08577	10.0
133.10117	19.8
135.11693	9.8
145.10121	11.6
147.11710	42.6
151.57260	6.6
159.11774	8.2
161.13234	21.0
171.11668	22.8
189.12708	11.3
207.13812	34.0
209.71477	6.2
254.39584	6.0
281.17511	49.1
317.60382	8.5
335.25836	71.4
418.33572	7.4
458.25989	6.6
493.33640	6.8
541.38977	98.3
559.39313	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01873	2.8
55.05514	21.7
57.03435	5.5
57.07071	2.9
65.03937	2.8
67.05173	3.1
67.05511	52.1
69.07069	14.3
71.04996	16.8
79.05501	39.5
81.03426	3.0
81.07064	57.5
83.04990	7.5
83.08634	9.1
85.06532	4.3
91.05489	40.9
93.07047	40.8
95.04977	7.2
95.08611	30.8
97.06543	3.3
97.10164	4.3
97.11506	1.6
99.08109	1.7
105.06382	3.1
105.07033	41.4
107.04970	1.9
107.08611	19.3
109.06552	3.3
109.10149	11.1
115.05485	3.7
117.07042	17.3
117.35918	1.4
119.08592	23.1
121.06522	2.2
121.10133	9.8
123.11707	5.1
125.09600	2.2
128.06221	4.7
129.07014	13.9
130.07744	2.0
131.08580	28.8
133.10150	20.3
135.11696	7.9
141.06996	3.7
142.07767	4.5
143.08574	16.8
145.10146	25.5
145.29877	1.7
147.11705	13.2
149.13295	4.4
151.11113	2.4
155.08548	8.3
157.10156	15.8
158.10950	1.8
159.11693	19.2
161.09641	1.6
161.13292	8.2
167.08611	3.6
169.10138	10.3
171.11713	18.4
173.13280	11.0
179.14270	1.6
181.10081	4.4
182.07269	1.6
183.11707	8.0
185.13280	9.3
187.14841	4.3
195.11804	3.6
197.13231	6.8
199.14815	5.5
201.16463	2.9
207.12012	2.0
207.13834	6.6
209.13303	2.3
211.14830	2.9
223.14908	2.1
261.22324	2.8
273.18549	2.3
281.17480	14.6
283.20480	2.9
285.22104	9.1
303.34323	1.8
335.25830	12.5
341.24673	4.9
410.88477	1.5
417.31235	3.5
435.32733	10.8
453.33478	3.7
509.36368	5.9
527.37366	100.0
528.38031	2.7
541.39069	15.9
559.40051	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	559.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.7
54.54674	3.6
55.01865	4.5
55.05513	23.4
57.03428	17.6
57.07072	9.8
60.08485	3.6
67.05508	99.5
69.07069	25.7
69.60107	25.1
71.04981	9.0
73.89031	4.2
77.03965	4.6
79.05056	6.5
79.05493	85.3
81.03407	7.7
81.07064	100.0
83.04979	16.3
83.08609	12.3
85.06540	6.4
91.04961	6.8
91.05486	72.2
93.07050	86.1
95.04956	18.4
95.08040	6.7
95.08606	64.5
95.42139	4.1
97.06547	6.2
97.10181	4.8
98.21482	6.3
105.07034	51.3
107.04978	5.9
107.08594	32.0
109.06480	5.3
109.10141	20.7
117.06975	18.7
119.08604	25.7
121.06514	10.2
121.10173	24.7
123.08132	5.1
123.11709	6.4
129.07002	14.2
131.08582	24.0
133.10120	15.2
135.11682	17.5
142.07739	4.4
143.08586	10.3
145.10153	24.2
147.11691	30.8
149.13255	6.0
157.10150	12.3
159.11690	8.5
161.13261	11.2
169.10141	4.3
171.11713	30.2
171.48660	4.4
173.13309	6.1
183.11682	5.7
189.12762	9.8
207.13835	22.3
243.21149	5.0
261.22137	9.7
281.17471	49.0
315.08298	3.6
335.25778	53.5
344.70737	4.6
372.19266	4.4
527.37067	32.9
541.38971	87.8
559.40564	25.5
578.17206	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	559.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57633	1.0
55.05515	35.1
57.03447	1.4
57.07077	10.1
67.05505	29.4
67.18876	0.9
69.07071	63.5
69.60207	4.7
69.60626	1.9
71.04988	3.6
71.08624	4.4
74.09426	1.1
79.05492	13.0
81.07060	49.4
83.04974	3.4
83.08138	2.1
83.08622	36.0
83.77577	1.0
85.06532	4.8
85.10174	3.0
91.05470	12.5
93.07055	21.2
95.04974	1.3
95.08613	43.2
97.06543	9.0
97.10178	47.9
98.20742	2.2
99.08100	6.0
105.07029	12.5
107.08598	17.2
109.10163	22.6
111.08074	6.6
111.11724	21.9
113.09660	2.5
113.34549	1.3
115.07584	2.0
119.08580	15.1
121.10146	28.2
123.08082	3.2
123.11713	10.3
125.09630	5.1
125.13269	6.8
127.07600	1.3
129.09151	1.9
133.10136	20.2
135.11702	23.7
137.09642	3.6
137.13254	6.0
139.11180	7.5
139.14836	2.9
141.09056	1.3
143.10693	3.1
147.11688	15.8
149.13243	5.2
151.11191	6.1
151.14801	6.8
153.12741	5.6
155.95139	1.3
157.12253	4.7
161.13268	15.7
163.14835	2.5
165.12761	10.3
169.12241	3.1
171.13832	2.6
175.14806	5.5
179.01427	1.1
179.14301	6.4
182.70137	1.1
183.13792	3.8
189.16399	1.6
191.17955	2.5
193.19518	4.1
197.15404	3.4
217.19534	42.2
235.20586	66.1
253.21648	100.0
271.22693	52.0
289.23666	2.3
304.79871	1.1
559.35510	1.2
559.46478	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01875	1.5
55.05516	45.1
57.03440	3.1
57.07082	14.3
63.20352	1.4
65.03919	1.8
67.05508	80.7
69.07072	66.0
71.04990	4.7
71.08610	3.5
71.57220	2.5
79.05068	1.8
79.05502	30.9
81.07064	100.0
81.34901	1.3
83.04964	6.1
83.08621	41.6
85.06544	6.1
85.10190	2.2
91.05487	24.1
93.06467	2.8
93.07047	48.6
95.04962	3.9
95.08616	94.8
96.08936	1.6
97.06551	11.6
97.10175	40.0
98.97586	4.0
99.08084	6.8
105.07037	20.1
107.08604	30.7
109.06540	3.3
109.10166	43.0
111.08112	8.8
111.11739	13.3
113.09635	3.2
116.98549	1.4
117.07031	2.3
119.08597	25.3
121.06555	2.1
121.10154	49.2
123.08051	3.5
123.10958	1.4
123.11730	17.7
125.09640	4.0
125.13268	4.6
131.08580	4.4
133.10135	24.2
135.10681	3.0
135.11700	50.4
137.09598	5.4
137.13271	7.9
138.92966	1.3
139.11191	7.2
139.14853	1.3
141.09108	2.5
145.10147	5.0
147.11708	20.5
149.13258	10.4
151.11171	6.0
151.14874	8.1
153.12761	6.1
155.10602	2.1
157.12227	2.3
159.11617	2.7
161.13274	18.6
165.12712	8.3
169.12303	2.1
171.13741	2.9
175.14842	8.2
177.16428	3.1
179.14343	7.1
183.13794	2.3
185.27441	1.7
189.16353	2.4
193.15880	2.0
193.19606	2.8
197.15489	1.8
215.17979	2.4
217.19522	43.9
233.18974	3.1
235.20589	71.9
253.21658	53.8
261.00049	1.5
271.22672	10.4
275.20053	2.9
319.17313	1.5
356.89581	1.4
451.39188	4.4
469.40564	25.3
487.41528	92.0
505.42596	59.7
523.43616	10.2
537.71149	1.6
559.36218	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	560.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03946	2.3
55.01881	0.3
69.03423	0.5
69.14182	0.4
70.06587	0.6
71.04996	1.5
71.55934	0.4
71.56330	0.4
72.88287	0.4
77.03920	0.7
81.03417	0.8
84.08131	1.7
85.02905	1.8
87.04489	0.4
91.05492	9.4
93.06467	0.7
93.07052	11.8
95.01324	0.4
95.04983	2.6
97.02884	0.6
102.04668	0.6
103.05475	9.4
105.04508	1.4
109.10211	0.3
111.88097	0.4
112.11273	0.4
116.31001	0.3
118.06572	0.4
119.04962	0.4
120.04488	0.4
121.06517	44.5
132.69781	0.4
135.04362	0.5
137.06035	0.4
144.04388	0.5
146.06018	0.9
147.04474	0.4
149.05971	1.6
162.05551	0.8
163.03925	1.9
164.07124	0.8
172.03932	0.7
174.05547	1.3
176.07124	1.0
178.08641	1.9
186.05496	0.7
188.07158	0.6
190.05045	1.3
190.08641	0.7
192.02951	0.7
196.09818	0.5
204.06532	3.0
205.07384	0.5
206.04538	2.5
206.08186	1.6
208.09726	0.4
216.06656	0.6
218.04562	0.4
218.08159	1.1
219.08980	0.6
220.09732	4.2
221.10555	1.1
222.07678	1.1
222.11281	1.0
228.06551	0.4
230.04544	0.6
232.06133	0.7
232.09801	0.4
233.07129	0.4
234.07617	3.2
234.11299	0.5
236.05618	0.7
240.08723	0.7
244.06059	0.4
246.07664	1.2
247.08394	0.5
248.09215	7.8
250.07112	3.5
250.10576	1.7
258.07779	0.7
260.05612	0.9
260.09268	0.6
262.10886	0.7
264.08725	1.0
270.07559	0.5
274.07254	1.6
274.10355	0.4
275.11969	0.4
276.08731	1.1
280.11923	0.8
288.08731	1.4
288.12344	0.9
290.10217	1.9
292.08200	0.5
294.09995	0.5
302.06540	0.5
302.10056	0.4
304.08310	1.6
308.11258	5.8
314.10410	1.3
316.08167	0.9
316.11560	0.5
318.09860	0.5
320.07727	0.8
330.09912	0.4
332.11420	1.3
336.10834	2.5
352.10336	3.5
360.10776	0.4
364.10202	0.7
380.09674	1.7
394.11475	0.8
396.12915	16.7
404.09857	1.5
408.09351	2.6
422.10843	11.5
440.11929	14.2
486.17511	0.5
516.18835	1.5
516.69348	0.4
530.16632	0.4
560.17688	100.0
561.17889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
56.05040	1.2
56.96540	1.1
57.03432	1.3
58.99582	13.7
60.04526	21.2
67.05535	1.1
69.03417	2.0
69.07059	1.1
69.82749	5.1
70.02946	2.1
70.06578	4.7
71.04987	2.0
72.04517	1.4
72.08160	2.9
74.00661	1.7
76.02230	64.2
81.03424	1.1
81.07074	1.4
83.04959	4.5
83.06098	6.7
84.04506	21.3
84.08141	7.4
85.01133	4.8
85.02914	7.5
86.00657	24.2
86.06065	1.2
86.09700	2.6
86.99059	1.1
88.03998	9.9
91.05480	5.8
93.07048	5.5
95.04958	1.7
97.02900	2.4
98.20816	1.8
98.97595	1.6
99.02652	3.5
100.02195	4.4
100.07613	5.5
101.00607	59.2
102.03743	5.0
103.05440	3.1
106.05029	42.6
107.06074	1.6
109.07636	5.3
109.10172	1.4
110.06043	1.1
111.08114	1.0
112.03776	1.0
112.11259	8.2
113.00616	1.9
114.09172	4.1
115.03961	1.2
116.03437	4.5
118.03175	1.4
119.04968	1.9
119.08599	1.3
121.06510	17.6
126.03715	5.8
127.02155	10.1
128.01660	5.6
129.06587	6.8
130.05013	12.4
132.01147	9.0
134.06042	1.4
135.11673	1.4
137.05994	3.4
137.09592	1.6
139.11198	2.3
141.04848	2.1
142.03210	4.8
144.04778	9.6
146.02721	12.0
147.04387	8.6
149.05981	3.8
152.01682	2.0
153.06570	4.4
155.02736	6.3
155.08151	8.6
156.06523	1.8
156.13809	2.5
162.98146	1.0
163.03929	2.3
163.11174	1.8
167.07050	39.8
170.02710	1.9
171.02243	2.9
171.14944	11.5
172.04283	3.6
173.02446	1.7
173.03812	21.0
174.02217	13.5
174.14885	5.2
181.06079	1.5
187.05367	7.8
187.14410	2.4
191.04861	6.6
192.03264	17.7
199.07068	2.5
201.03320	21.8
205.12328	1.7
209.05913	100.0
210.05882	2.9
215.04819	1.8
218.04799	3.4
219.04349	51.2
223.06963	1.5
223.13316	6.7
233.05920	28.9
243.04333	3.1
255.07950	3.1
257.05927	3.6
259.07465	8.8
260.05878	6.0
268.09195	5.4
272.05450	1.6
274.06876	1.4
276.08780	1.3
277.08524	10.0
278.10190	1.9
286.10336	1.3
287.08438	1.2
288.04984	2.0
289.05746	2.4
298.14743	23.0
301.08524	14.5
304.08136	4.4
320.08859	1.5
321.07123	1.2
334.09464	1.3
338.10172	48.5
339.07761	1.3
362.08603	3.6
375.81732	1.0
381.08353	1.8
406.12778	22.7
413.17438	8.0
414.16077	1.5
431.18436	16.4
455.18427	13.2
500.15564	3.2
542.21802	1.4
560.17242	17.0
560.23315	9.7
560.30035	5.9
561.19116	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	560.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	9.0
55.01873	12.7
55.05508	6.9
57.03450	6.2
60.18616	1.3
61.02924	5.7
65.03928	1.9
67.05176	1.8
67.05511	30.2
68.99784	4.9
69.03076	2.5
69.03436	39.4
69.07066	7.7
70.24418	3.9
70.24765	1.8
71.04998	25.0
73.02913	7.5
79.05058	2.3
79.05501	35.1
81.02985	2.0
81.03426	35.9
81.07061	39.6
81.13868	1.4
83.04987	4.1
83.08610	3.6
85.02912	100.0
85.06540	3.9
86.09674	2.0
87.00835	36.8
87.04421	1.4
91.03971	3.2
91.05490	13.7
93.07050	44.1
95.04954	3.5
95.08614	25.8
97.02907	31.0
97.06532	8.9
97.10170	1.5
98.21413	1.5
99.04464	15.5
105.01874	32.8
105.07027	13.1
105.95267	1.2
107.08600	26.7
107.69401	1.3
108.04481	2.6
109.02892	35.0
109.06531	2.6
109.10163	12.5
111.08064	2.2
117.01865	3.2
117.07016	5.4
119.08584	9.9
121.06509	3.2
121.10150	60.8
121.96955	1.3
123.08063	2.0
123.11693	5.1
125.28136	1.3
127.03926	60.7
129.01851	5.3
129.06999	2.5
131.08578	8.1
133.10127	10.9
135.11702	54.7
137.09587	1.6
142.81233	1.3
143.08560	3.5
145.04973	19.7
145.10136	7.4
147.02936	2.8
147.08058	1.9
147.11679	5.8
149.05942	1.5
149.13284	13.8
151.07497	2.4
157.10123	2.9
159.02896	18.5
159.11728	6.4
161.13264	2.3
163.11194	3.9
163.14819	4.5
165.12769	1.7
167.10660	1.7
169.10196	1.5
171.11676	5.0
173.13287	3.8
175.14825	2.4
177.12746	3.6
181.12231	4.6
181.78467	1.3
185.13278	1.8
189.03902	1.9
195.13834	8.0
199.14757	1.3
207.13933	1.4
213.03879	3.7
217.15894	1.3
221.15509	2.3
231.04947	11.7
231.17575	1.3
235.16934	3.6
241.19533	5.1
259.20578	8.9
265.21454	1.3
275.20166	1.6
277.21649	93.4
295.22720	15.0
307.22958	1.3
313.21906	1.4
326.44022	1.5
349.21307	2.8
367.22549	3.1
385.24020	7.4
385.28210	1.9
403.24854	2.2
489.24808	7.7
544.76288	1.4
560.33417	1.9
567.57794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19479	7.2
55.05511	9.3
61.02898	9.9
67.05515	45.0
69.07073	16.4
70.72930	25.5
74.09718	9.7
79.05489	24.9
81.07068	40.6
91.05502	9.0
93.07040	34.4
95.08609	32.7
105.07007	11.1
107.08611	10.7
109.02937	7.4
109.10158	31.4
119.08566	10.9
121.10149	23.6
123.11749	10.9
133.10095	13.8
135.11714	14.7
147.11629	10.4
149.13258	12.7
163.14728	15.7
173.13243	8.8
177.16411	13.4
181.77493	8.2
243.21112	30.0
261.22198	100.0
335.25598	10.2
353.26926	37.2
385.86011	7.8
435.65115	8.0
519.35126	8.5
560.37854	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	560.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.8
56.90643	10.0
57.03421	9.1
67.05502	80.1
69.03419	16.8
69.07066	12.2
69.48074	61.0
71.05009	12.0
72.08154	18.2
73.02903	10.9
74.09721	12.3
79.05476	32.1
81.07047	69.6
82.63291	8.7
83.30948	7.9
91.05468	15.9
93.07044	32.9
95.08624	62.3
105.07054	11.8
107.08586	23.3
109.02883	12.7
109.10149	36.3
111.04396	16.5
117.06997	9.8
119.08603	15.7
121.10141	24.3
123.11706	23.6
131.08565	17.7
133.10170	11.6
135.11714	21.5
145.10158	14.2
151.00539	12.3
159.11636	10.0
173.13252	9.4
187.14888	10.0
194.73808	8.5
243.21176	23.7
254.42621	9.4
261.22186	100.0
265.31174	8.9
313.38629	11.4
335.25766	37.4
353.26920	37.7
516.57599	11.4
561.26459	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	561.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
56.96563	1.7
57.03449	1.3
57.03869	0.6
58.71128	0.8
58.99857	1.2
61.02917	2.3
67.05495	1.1
69.03427	7.2
70.06564	0.8
70.99873	1.0
71.04993	2.2
71.56941	1.0
71.57348	0.7
72.08136	0.7
72.21313	0.7
73.02906	2.3
75.28988	0.7
77.00899	1.1
81.03410	2.5
81.07047	0.8
82.99847	1.9
83.04980	2.0
85.02425	1.4
85.02908	16.3
85.06532	1.6
87.04439	1.7
89.00868	1.0
89.03922	0.8
91.03933	1.3
91.05466	3.7
95.04988	0.9
95.28696	0.9
97.02891	7.9
98.97591	7.0
99.04410	1.1
101.00889	28.3
102.00977	0.8
103.00642	1.8
107.04935	1.5
109.02862	0.9
112.99137	1.0
113.00904	0.8
115.02427	3.0
115.03935	1.0
116.98599	2.6
119.01927	48.7
119.04934	5.8
120.02029	1.7
121.01650	4.6
127.02405	2.9
127.03941	4.6
128.98555	1.1
129.03877	0.8
129.05463	1.4
129.10207	0.8
131.01923	3.9
131.04929	2.0
133.03485	7.0
133.06517	1.1
135.03334	0.7
135.04355	1.8
137.02979	3.8
137.05975	10.7
139.02385	5.9
142.03526	1.3
143.00217	1.2
143.01910	16.8
145.01738	1.4
145.03456	13.3
145.04945	3.6
147.03290	1.6
147.04399	26.9
148.04733	1.4
149.01227	1.2
151.04480	0.9
155.01929	1.8
157.03477	39.3
158.99644	2.3
159.03221	3.3
161.01138	1.0
161.01614	1.1
161.02982	11.9
161.05896	1.0
163.03958	8.3
163.07527	1.4
164.04279	0.8
165.05544	1.0
167.07028	2.5
169.03433	1.9
171.01375	1.2
171.05048	0.9
173.01411	0.7
173.02960	2.4
175.04549	18.9
177.00787	1.1
177.04181	1.7
177.05597	1.9
179.02237	1.3
179.05627	0.7
179.07016	1.8
181.05615	3.7
183.04990	0.8
185.02943	1.5
187.02638	0.8
187.04466	2.0
189.00717	1.0
197.03079	1.2
198.98489	4.5
203.03979	1.5
205.03555	2.3
205.05560	20.4
207.05302	1.8
211.04512	1.3
213.02565	0.8
217.05615	1.0
219.01761	2.2
219.05095	1.4
221.02988	1.4
221.04974	1.9
223.04601	5.0
223.06624	62.6
224.06831	1.9
225.06369	3.5
229.03589	1.7
237.02881	3.5
237.06075	2.1
239.04324	2.4
241.05501	3.3
241.07692	12.8
243.05125	1.8
245.05074	3.5
246.08246	2.3
247.04584	7.1
249.05997	1.3
251.06079	5.9
259.04462	0.9
259.06848	0.9
261.06076	4.9
265.05469	7.2
265.07730	22.6
273.06128	2.2
277.07867	5.0
279.05704	11.8
281.07132	4.5
289.07724	1.0
290.08194	1.1
291.09491	8.8
293.07089	1.2
295.06750	1.1
298.08252	0.9
299.09088	0.9
305.07263	3.0
317.07227	1.1
327.09393	0.8
337.09512	1.2
351.08783	1.6
367.10614	2.4
368.11014	1.5
369.10349	100.0
370.10645	1.9
373.07959	1.2
379.06918	5.8
381.10248	1.4
383.11938	4.8
386.10175	1.0
387.09637	13.4
397.08228	25.1
399.11514	1.3
411.11346	1.3
415.08856	1.0
437.12888	3.2
451.10699	7.7
463.06897	2.2
481.15167	1.3
501.12753	1.1
543.12042	35.8
561.17944	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	561.1947
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
51.76285	0.3
53.79423	0.5
69.60905	0.9
69.61308	1.6
70.06596	1.2
72.08169	0.8
84.08140	0.5
85.02892	0.6
87.13657	0.5
91.05518	0.4
91.32990	0.4
97.90935	0.4
104.20803	0.4
121.69144	0.4
124.07631	0.4
124.24798	0.4
127.16263	0.4
137.05995	0.4
159.04201	0.6
381.11734	1.7
399.13977	0.7
404.00369	0.5
414.34833	0.4
561.19495	100.0
562.20056	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1942
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
55.01875	0.5
55.59786	0.3
65.26915	0.3
68.32468	0.3
69.03429	1.5
70.06575	0.3
71.18198	0.6
82.54807	0.3
83.01104	0.9
84.04536	0.3
84.08164	0.4
85.02906	3.7
91.05500	1.4
91.69823	0.3
95.01089	1.3
96.01876	1.1
97.02902	1.1
98.97594	1.7
112.01374	0.6
113.02151	2.5
119.04945	1.5
127.03954	1.2
130.05008	1.9
131.04973	0.7
135.04388	0.5
136.27269	0.3
137.06007	1.4
137.97528	0.3
141.01634	0.4
144.10287	0.3
145.04968	1.0
147.04381	0.7
149.05923	0.3
151.03955	1.1
151.07533	0.5
155.91399	0.3
157.04727	0.7
163.03922	0.3
165.05508	0.9
167.03195	0.5
185.04260	4.3
185.05779	0.6
187.03677	0.7
194.08202	0.3
201.03722	1.5
202.06020	5.7
203.02321	0.7
203.05287	4.0
203.06963	0.4
225.07582	0.3
226.15382	0.3
227.02391	0.4
249.00848	0.3
262.05994	0.6
281.03287	0.4
287.81454	0.3
299.04474	0.8
323.04547	0.9
343.08679	0.8
351.12244	1.1
365.11859	0.6
381.12335	0.7
399.14261	0.4
432.12952	0.6
436.88007	0.3
461.09726	0.7
543.19086	0.4
545.11133	0.3
561.19470	100.0
562.19562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08947	0.4
70.06593	1.1
70.13662	1.7
71.67430	0.4
77.35209	0.4
84.08138	1.3
85.02927	0.5
91.05507	1.2
95.05015	0.4
98.97590	0.9
110.90186	0.4
110.97601	0.9
119.04966	1.8
123.04496	0.5
127.07613	0.5
137.06013	1.8
140.81544	0.4
146.75998	0.4
147.04448	1.5
161.06009	0.6
165.05507	0.4
167.07126	0.5
175.03813	3.1
175.07625	0.7
179.07135	0.6
183.06721	0.5
202.05981	3.1
207.06564	3.2
219.01775	1.0
219.06371	0.9
237.02727	1.0
274.51154	0.4
319.97537	0.4
351.10553	4.0
365.12140	4.0
399.14139	5.2
561.19513	100.0
562.19873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1949
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
69.03439	0.5
70.06583	0.7
71.08170	0.5
71.08492	0.5
72.08157	0.8
74.36868	0.3
84.08158	0.6
85.02914	1.3
86.09708	0.6
91.05490	1.0
93.24010	0.4
97.02877	0.8
98.97589	0.6
105.07061	0.4
111.56089	0.4
113.10103	0.3
119.04963	0.5
123.48181	0.4
137.05998	3.3
138.06303	0.7
144.08139	0.5
145.02917	0.5
147.04427	0.8
151.03984	0.6
161.06041	0.6
163.03964	0.5
163.07567	0.4
165.05476	3.7
167.07101	0.8
175.03972	0.4
177.05518	1.0
185.04144	0.4
203.05307	0.9
207.06665	1.0
219.01851	0.3
233.22499	0.4
237.03020	0.4
369.13007	0.4
370.30865	0.4
381.11938	0.7
383.10916	0.4
399.14072	1.8
459.11841	0.4
537.98816	0.4
561.19464	100.0
562.20044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
56.96563	1.2
60.66631	0.5
65.03918	0.7
69.07067	0.9
69.41277	2.1
69.41705	2.1
69.61875	0.6
80.99371	0.5
81.07064	0.8
84.08102	0.6
85.02869	0.6
87.04496	0.7
91.05486	6.9
93.07055	4.5
95.04976	0.9
95.08595	1.8
97.02908	0.7
98.21546	1.1
98.97598	2.4
103.05485	3.4
107.08565	0.6
115.05468	2.6
116.05038	0.6
117.05741	1.4
117.07047	3.3
118.06551	52.3
121.06509	26.8
124.99154	0.6
130.06566	0.6
132.08080	0.8
137.05972	2.8
142.06534	3.8
143.00143	1.1
143.07309	5.1
144.04463	4.7
144.08092	23.5
144.09227	1.2
146.06018	100.0
147.06357	0.7
155.06044	0.6
159.00670	0.8
160.07584	1.0
162.05502	1.8
163.03902	0.6
164.07129	1.2
166.05080	0.7
167.07108	0.7
168.25102	0.6
170.06021	7.1
172.04027	1.0
176.07066	8.9
178.08641	31.1
180.06561	4.8
181.06911	1.2
188.07072	59.7
190.05019	1.3
204.06566	8.3
210.11192	1.2
219.01784	0.7
222.07623	41.8
236.09196	1.5
239.94745	0.5
260.28610	0.6
277.71292	0.5
280.08289	2.1
287.01538	0.5
317.08417	4.6
321.05841	1.5
333.04901	1.1
342.13388	1.1
355.15817	0.6
365.13153	1.5
365.17233	2.0
374.16010	65.9
379.14819	1.0
380.15253	1.0
381.15842	1.9
409.13901	5.3
413.15073	0.8
432.16580	2.4
453.04193	0.9
453.10110	11.0
501.16763	0.7
529.19562	1.5
561.15436	9.7
561.22327	44.4
566.16931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	2.1
53.03951	13.6
54.45193	2.1
55.01873	22.3
55.05513	27.1
57.03432	18.8
57.07067	2.7
61.02916	6.3
61.37443	2.0
61.59748	1.8
65.03938	5.5
66.94659	2.0
67.05507	98.4
69.03077	3.1
69.03432	48.1
69.06769	2.3
69.07076	22.5
69.46281	14.4
71.04990	11.0
73.02917	43.2
75.04444	2.8
77.03912	2.5
79.05058	3.7
79.05497	54.9
81.03424	36.2
81.07059	94.2
83.04977	12.4
83.08617	13.2
85.02908	29.5
87.04425	2.4
91.05483	41.0
93.03405	4.4
93.07044	59.8
95.04980	7.2
95.08611	81.6
97.02891	13.2
97.06544	5.3
97.10171	8.0
98.98462	12.3
99.04462	22.6
99.08102	2.9
105.07036	36.1
107.08597	38.8
109.02886	52.4
109.03590	4.5
109.06518	4.7
109.10159	44.8
110.03659	7.8
111.04447	61.2
111.08074	4.1
114.00668	2.2
117.07012	13.2
119.08579	24.1
121.06503	4.5
121.10138	30.3
123.08068	5.0
123.11718	18.2
125.09616	6.0
127.03928	29.8
129.05498	3.8
129.07007	4.3
131.08568	24.3
132.99565	24.3
133.10127	21.9
135.11694	27.5
137.09682	3.6
137.13287	5.3
139.11203	2.5
143.08594	2.2
145.05023	2.2
145.10120	17.1
147.11710	16.1
149.09695	3.2
149.13271	16.6
151.00589	5.0
151.11165	3.7
155.01064	11.6
155.08607	3.2
157.10181	3.9
159.11751	14.1
161.13280	13.8
163.11169	2.6
163.14865	7.6
165.12790	2.4
171.11703	5.1
172.99036	6.5
173.13321	11.0
175.14824	5.0
177.12805	2.4
177.16351	2.9
179.14400	2.9
185.13307	3.1
187.14908	6.5
191.00110	27.7
197.01157	2.4
209.01213	8.2
233.22662	2.7
243.21172	11.5
259.20633	3.2
261.22162	39.1
265.03745	2.7
273.22052	2.2
279.23242	3.2
315.23526	2.7
317.24756	6.3
335.25787	53.5
337.27408	11.1
349.23834	2.6
377.26932	2.6
414.75101	2.7
435.62885	2.3
469.33224	5.2
525.35870	7.8
543.36804	17.7
561.27313	100.0
561.37311	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12631	1.7
53.03934	10.5
55.01871	18.7
55.05512	20.0
55.50492	1.6
57.03441	16.5
61.02914	6.3
65.03932	4.7
67.05506	82.1
69.03429	50.2
69.07066	15.1
70.83774	2.0
70.84118	3.7
71.01363	1.8
71.04975	8.8
73.02918	44.6
75.04497	2.1
79.05493	42.5
81.03425	30.9
81.07059	77.4
82.22903	1.7
83.04984	12.3
83.08621	9.0
85.02908	31.5
85.06526	2.8
91.05476	28.7
93.03407	3.4
93.07044	54.5
95.04977	5.3
95.08609	65.9
97.02888	18.3
97.06545	2.8
97.10180	3.8
99.04453	19.8
105.07050	20.9
107.08595	26.6
109.02885	64.0
109.06550	3.8
109.10159	36.4
110.03662	9.9
111.04446	57.9
115.03940	2.0
117.07007	7.2
119.08588	19.7
121.10152	29.4
123.08033	2.4
123.11710	19.3
124.99036	2.1
125.09679	1.9
127.03916	32.6
127.04811	2.4
131.08568	15.7
132.99551	28.4
133.10126	15.4
135.08087	1.9
135.11700	23.8
137.09616	3.6
137.13254	5.1
139.11189	1.7
145.10112	9.9
147.11661	10.4
149.13277	13.5
151.00612	7.8
157.15111	1.7
159.11691	10.1
161.13293	13.6
163.14784	3.7
165.12743	3.4
172.99036	4.8
173.13281	8.8
175.14864	4.9
177.12752	3.8
177.16434	2.4
179.14244	1.8
187.14870	6.0
191.00082	31.8
191.14337	2.9
201.16508	2.1
209.01137	10.4
243.21095	11.6
261.22125	38.3
261.24847	2.8
262.22525	3.7
265.03925	2.6
279.23077	3.1
303.23242	2.7
317.24960	2.6
324.93234	1.8
335.25818	34.7
521.47003	1.8
561.27332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
53.28168	3.0
55.01883	13.6
55.05507	20.7
57.03428	10.5
57.07066	8.9
64.99335	2.6
65.03931	4.5
67.05505	89.7
69.03432	27.6
69.07070	29.2
69.31249	22.3
69.42891	3.0
71.04984	7.9
73.02923	6.0
79.05052	4.4
79.05493	54.4
81.03427	29.4
81.07059	100.0
83.04987	8.2
83.08630	14.6
85.02896	19.4
85.06541	3.4
91.05477	48.2
93.07050	70.4
95.04984	9.4
95.08611	77.2
97.02927	15.5
97.06509	5.4
97.10191	5.2
97.37077	2.7
99.04459	8.9
103.03918	11.3
103.05463	9.4
105.07023	47.6
105.54856	2.6
107.04926	9.1
107.08588	44.0
109.02862	8.8
109.06513	5.6
109.10165	39.7
111.04433	9.8
115.05433	4.8
117.07022	25.3
119.08588	32.3
121.06516	79.5
121.10146	35.8
123.08058	4.6
123.11719	30.0
127.03886	10.3
127.58897	2.5
128.06201	7.1
129.06993	15.1
131.04930	11.1
131.08566	41.1
133.06502	19.2
133.10141	33.7
135.08051	8.2
135.11710	29.1
137.05974	4.4
137.09631	3.6
137.13239	9.8
141.06985	6.8
143.08568	16.1
144.05724	3.5
145.06490	13.4
145.10133	26.7
147.04401	3.0
147.08034	12.3
147.11676	23.4
149.06012	3.5
149.09590	4.1
149.13266	19.8
151.07510	7.5
151.11154	3.9
155.08565	9.8
157.06500	9.3
157.10112	11.7
159.08037	14.1
159.11737	21.5
161.05988	4.2
161.09650	6.2
161.13261	15.8
163.07556	4.8
163.11185	3.3
163.14807	8.7
165.05499	13.8
165.06836	3.3
169.10086	7.7
171.08035	12.3
171.11665	9.0
173.05971	5.2
173.09630	7.2
173.13272	15.9
175.07576	13.8
175.14819	7.4
181.10139	3.5
183.08076	9.2
183.11633	7.0
185.09631	9.6
185.13257	8.2
186.91948	2.8
187.07535	8.2
187.11186	4.1
187.14821	11.4
189.09076	7.5
197.09528	3.9
197.13252	3.3
199.07526	6.7
199.11177	5.0
199.14905	4.3
201.09216	5.0
201.16478	5.0
203.07033	5.3
205.08453	2.7
209.09703	2.7
211.11223	3.3
213.09190	3.2
213.16508	4.1
215.10922	3.6
217.08551	3.2
225.12685	4.7
227.07001	5.5
228.52069	3.6
229.08556	12.2
231.10265	5.7
239.14265	2.5
241.19487	5.2
243.21100	6.6
245.08177	5.7
247.09602	17.1
259.20636	10.2
261.14743	3.3
261.22156	34.4
269.29514	2.8
270.30450	3.4
273.22131	3.0
275.23819	4.4
277.21695	13.8
279.23254	13.9
285.22079	7.3
289.21707	3.3
291.23404	6.3
297.22067	4.6
301.21548	3.4
303.23203	24.0
315.23196	6.4
319.22772	3.3
321.24200	7.7
323.23795	4.2
327.23154	11.2
341.24716	9.1
345.24139	8.0
351.22980	6.2
359.25751	3.7
363.25287	3.6
369.24344	39.9
381.26346	10.5
387.25357	66.8
399.29138	3.5
405.26398	49.0
423.27573	26.3
456.40466	3.7
489.30057	11.5
507.30963	12.6
525.31708	13.3
543.32941	4.3
561.40582	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	561.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.5
54.87831	1.4
55.01875	2.1
55.05517	20.9
57.03443	3.1
57.07085	2.5
63.31295	1.5
65.03947	5.9
67.05510	73.5
67.21848	1.4
68.01028	1.5
69.03436	1.4
69.07066	17.5
71.04999	50.1
71.26762	2.3
77.03992	2.1
79.05499	59.7
81.07062	91.4
83.04987	8.7
83.08620	11.5
85.06559	5.1
85.40070	1.4
91.05489	61.5
93.07053	59.6
95.05006	7.1
95.08611	36.2
97.06540	7.3
97.10193	2.2
105.04488	1.7
105.07038	34.8
107.08609	30.1
109.06550	2.1
109.10166	15.5
117.07029	10.3
119.08598	11.5
119.09319	1.7
121.10154	21.3
123.08117	3.0
123.11720	16.0
125.09706	1.6
129.07036	3.2
131.08603	14.0
133.10139	26.7
135.11687	14.9
145.10176	5.1
147.11772	6.4
149.13290	11.1
151.11194	13.1
157.10216	1.6
159.11679	10.4
161.13335	6.4
163.14882	2.1
169.12279	1.9
173.13263	3.4
175.14746	1.7
177.12779	5.1
183.13841	19.3
187.13403	2.7
195.13916	5.5
219.10622	1.6
221.51514	1.6
227.16350	2.2
261.22235	3.9
285.17087	3.0
317.24802	2.5
330.89151	1.6
335.26077	2.2
354.22992	1.7
361.27426	2.2
363.25504	2.9
517.38916	28.0
529.39105	10.6
561.41595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.05513	0.6
63.74829	0.3
65.03952	2.3
69.07072	3.0
70.06581	0.4
73.02912	2.4
73.06561	1.9
74.78755	0.3
79.05485	0.5
81.07058	0.7
91.05486	27.7
94.04210	0.4
97.06552	0.4
97.63542	0.3
104.05013	0.5
106.06560	0.6
106.49854	0.3
107.05019	0.4
108.31113	0.3
109.06526	1.1
117.05573	0.6
119.04948	12.3
121.02898	0.4
121.06521	0.7
132.04457	0.7
132.08109	0.4
134.06015	1.3
137.05986	22.4
144.04446	2.1
147.04507	0.3
150.05455	0.5
160.03955	5.5
162.05515	5.5
164.07133	0.6
165.07803	0.4
166.08719	0.5
174.05603	0.3
176.07091	2.0
177.05501	0.4
178.04985	4.1
178.08624	0.3
180.06622	1.1
188.03448	0.6
190.05034	0.4
191.05756	0.6
192.06572	9.2
194.08134	21.1
202.04996	0.5
204.06740	0.4
206.04527	1.3
208.09764	0.8
220.06049	2.8
236.09180	0.8
238.07182	0.6
252.08800	0.4
256.03210	0.3
268.11810	0.8
274.10861	1.0
280.08157	0.7
290.13889	2.0
292.11823	6.3
294.13428	1.3
302.10443	0.5
306.13361	21.6
308.14926	29.3
309.15460	0.4
316.11877	0.7
320.11252	1.7
322.16510	1.3
334.12903	8.2
350.15964	7.5
352.13943	10.7
357.30673	0.4
366.15598	2.8
382.18750	2.5
394.14999	23.7
408.16452	3.3
426.17593	0.8
530.20270	0.9
562.22876	100.0
563.23169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00259	0.2
55.01852	0.6
55.05495	0.4
59.04970	0.3
64.75780	0.2
65.03941	2.1
67.05460	0.3
69.07076	3.4
70.06561	0.2
70.26186	0.2
70.78430	0.6
73.02917	2.4
73.06549	1.5
79.05464	0.3
81.07024	0.9
84.08089	0.5
85.02879	0.3
91.05487	29.0
95.04960	0.4
97.06504	0.5
97.07692	0.2
104.04997	0.3
105.03374	0.2
106.06535	0.4
107.04948	0.5
107.08547	0.3
108.04475	0.3
109.06510	1.4
117.05533	0.7
119.04953	12.7
120.04433	0.4
121.02809	0.2
121.06488	0.7
121.08845	0.3
130.69641	0.3
132.04430	0.9
133.05202	0.6
134.06035	1.6
137.05989	23.7
138.06325	0.3
142.05121	0.2
144.04449	1.9
145.02827	0.3
148.03932	0.5
150.05530	0.4
159.11555	0.2
160.03964	6.8
162.05519	6.0
163.03943	0.3
164.07068	0.6
166.08641	0.4
174.05569	0.3
176.07080	2.7
177.05482	0.7
178.05019	4.3
180.06598	1.4
188.03415	0.5
191.05750	0.5
192.06577	9.4
194.08144	23.5
200.47070	0.2
204.06549	0.6
206.04457	0.8
208.09732	0.8
220.06073	2.9
233.15343	0.8
236.09163	1.0
238.07109	0.7
252.08830	0.4
268.11890	0.5
274.10867	1.5
276.12302	0.7
280.08182	0.8
290.13745	1.8
292.11838	7.0
292.15149	0.2
294.13345	1.2
306.13379	25.3
308.14929	32.7
309.15173	0.3
316.11758	0.6
320.11337	1.8
322.16589	1.5
334.12869	9.0
348.14444	0.3
350.16010	8.2
352.13943	10.6
362.12503	0.3
366.15500	3.4
370.87833	0.3
382.18683	3.1
394.15005	26.3
408.16553	4.0
426.17651	0.9
448.25204	0.3
530.20410	1.3
562.22888	100.0
563.23151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04620	3.2
50.05629	2.9
53.03942	12.1
55.01866	9.9
55.05509	25.1
57.03423	10.4
57.07060	5.1
59.88663	3.0
61.02921	3.5
64.90445	2.8
65.96104	3.1
67.05507	94.4
69.03430	47.6
69.07071	23.4
71.05002	17.0
71.40218	5.6
73.02896	3.5
77.74843	3.0
79.05062	5.7
79.05499	79.0
81.03421	58.2
81.06580	6.1
81.07062	100.0
83.04971	13.9
83.08636	15.0
85.02905	35.9
91.05488	57.6
93.07050	82.1
95.04956	12.7
95.08611	67.4
97.02885	28.9
97.06548	8.3
97.10176	7.3
97.12778	2.9
99.04460	12.5
101.06018	3.6
103.05443	3.1
105.04461	3.3
105.07030	69.5
107.04975	6.4
107.08597	47.9
108.04461	7.9
109.02896	19.6
109.06501	4.5
109.10160	36.8
111.04437	11.4
111.08066	4.9
114.99020	3.1
115.03960	3.3
117.07029	27.4
119.08578	38.9
121.06509	6.8
121.10149	38.7
121.59231	3.3
123.08115	3.6
123.11703	12.0
127.03921	22.3
128.06166	4.1
129.07007	13.6
130.84140	3.2
131.08565	38.6
133.10144	33.6
135.08073	3.7
135.11687	28.6
137.05910	3.2
137.09647	4.1
137.13252	3.7
139.11171	6.2
141.06947	3.6
143.08578	16.6
145.04967	5.6
145.10155	29.7
147.08051	4.5
147.11710	23.6
149.09633	4.0
149.13217	15.3
155.08585	8.8
157.10138	10.4
159.08083	4.7
159.11732	25.5
161.13269	23.7
163.14862	9.5
169.10127	7.5
171.08072	3.2
171.11674	7.9
173.09645	6.5
173.13211	18.4
175.14856	6.7
183.11720	8.7
185.09711	3.7
185.13248	10.3
187.11121	4.3
187.14816	9.1
189.09079	3.9
195.11900	3.0
195.13707	5.5
197.13257	4.2
199.14879	7.6
201.12689	5.2
201.16324	4.6
209.13206	5.6
211.14880	4.7
213.12808	5.4
215.14322	3.9
225.12727	4.2
243.14000	3.8
243.21069	4.5
247.16928	3.5
261.22232	22.8
273.22095	7.5
275.16641	3.7
275.23950	5.1
277.21609	8.5
285.22241	6.3
289.21677	5.6
291.23346	4.9
295.15283	4.3
301.21744	5.1
303.23129	17.4
315.23123	8.0
323.23621	3.7
327.23248	8.9
341.24698	9.7
345.24088	4.3
351.23190	16.4
369.24261	37.3
387.25302	30.4
405.26428	28.5
423.27420	9.7
530.38965	4.3
562.24493	11.0
562.41681	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.153
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
56.96552	2.5
63.62159	2.1
64.74106	1.8
69.03410	3.3
69.42730	14.8
79.05483	3.7
81.03395	3.8
81.07026	5.2
85.02886	5.0
89.03879	5.3
91.05464	5.0
93.07044	5.4
95.08621	3.4
97.02863	5.9
98.97568	3.2
107.04949	3.1
107.08540	3.5
109.06447	2.5
114.13599	2.3
117.03371	17.1
119.08575	3.0
121.06501	11.7
121.10027	2.8
122.03584	5.6
131.08432	2.6
133.10080	4.2
137.05983	61.9
137.09567	2.4
145.02858	42.9
147.08020	2.9
149.05922	6.8
151.03848	5.3
165.05429	4.9
167.07080	10.2
177.05482	100.0
180.06569	2.6
181.08594	6.0
181.12164	3.9
188.08348	2.6
195.06471	11.7
197.01019	2.9
207.13744	2.6
225.00630	3.7
225.14798	5.1
227.02219	3.1
248.54663	2.1
287.05524	24.0
320.23599	2.1
321.09363	3.7
339.10574	7.2
345.06332	2.7
369.06738	3.5
371.14587	6.7
387.07349	4.0
401.09192	13.1
401.15823	2.7
415.09579	2.2
419.10043	2.4
432.74200	2.6
443.09695	3.0
452.99866	2.7
563.14496	72.4
563.21350	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	563.174
Annotation	Rhamnellaflavoside A
Peak:m/z	Relative Intensity
51.21958	0.8
56.23716	0.7
69.35904	0.8
69.85120	4.1
82.56371	0.9
85.02848	0.8
88.91770	0.7
91.05516	4.4
93.07029	2.2
103.05461	1.5
115.05483	0.8
117.06983	1.3
118.06554	16.7
119.04967	0.8
121.05672	1.0
121.06512	12.9
130.49640	0.9
137.05995	4.6
142.06573	1.9
143.07307	2.1
144.04498	0.8
144.08083	7.5
146.06017	32.3
159.04259	1.6
160.03952	1.0
162.05501	2.1
165.05484	0.9
170.06023	2.4
173.02092	1.3
178.05011	1.0
188.07079	20.8
192.06511	2.0
194.08138	6.3
202.86365	1.1
203.05321	1.2
212.09106	1.1
238.07028	5.5
256.08218	1.5
327.08386	1.4
369.09476	12.1
376.13925	19.3
382.11322	1.2
383.11264	9.1
385.12540	6.1
396.82626	0.8
401.12115	27.7
563.17328	100.0
564.17218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1741
Annotation	Rhamnellaflavoside A
Peak:m/z	Relative Intensity
53.59250	0.4
55.35923	0.5
69.03394	0.6
69.32212	1.2
69.32625	2.2
70.06580	0.4
84.08144	0.6
85.02899	4.0
86.03218	1.0
91.05476	1.8
93.07029	1.8
95.04951	0.6
97.02901	0.5
103.05441	1.0
104.05824	0.8
107.08562	0.4
109.10180	0.4
119.65786	0.4
121.06503	7.3
122.06831	1.8
137.06000	3.3
143.04680	1.3
144.10173	0.6
145.02792	0.5
160.03931	1.0
163.05882	0.5
167.07013	1.1
177.05415	0.7
178.04973	0.5
180.06567	1.5
181.04982	0.8
192.06546	1.1
193.06880	0.7
194.08156	2.1
195.08446	1.6
203.05209	1.0
221.06248	0.5
239.07472	0.5
280.08063	0.7
281.06281	1.8
322.09290	0.8
323.09625	0.6
325.11017	0.6
369.09509	4.1
383.11127	1.2
385.12561	4.2
401.12094	23.2
410.10773	0.8
411.11230	2.3
443.12228	0.5
478.27133	0.5
503.84891	0.4
563.17389	100.0
564.17688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98621	0.5
65.03945	0.6
68.82822	0.5
70.06591	0.9
71.04984	0.8
71.56953	0.8
72.08131	0.6
82.05228	0.6
84.08127	1.0
85.02902	1.3
87.58076	0.6
91.05489	12.5
93.07029	1.1
103.05489	0.6
107.39343	0.5
115.05460	3.4
117.03382	0.7
117.05771	1.4
117.07014	3.1
118.06551	52.2
119.04947	5.3
121.06523	4.8
132.08118	0.8
137.05090	0.4
137.05975	15.5
142.06522	4.0
143.07314	5.6
144.04460	4.1
144.08093	21.4
145.02896	0.7
146.06018	100.0
155.06056	0.8
160.07587	1.9
162.05534	2.6
163.03932	1.3
164.07106	1.1
170.06039	7.3
172.03976	1.3
176.07079	6.1
177.05519	1.9
178.08646	25.8
183.51163	0.5
188.07077	63.7
190.05032	2.0
196.09746	1.6
204.06564	6.2
208.06085	0.7
222.07626	29.0
240.08679	1.0
280.08221	1.0
296.67426	0.5
328.50397	0.6
376.13931	61.2
409.13937	2.5
434.14389	1.6
545.19049	0.8
563.20258	44.0
564.21594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98621	0.5
65.03945	0.6
68.82822	0.5
70.06591	0.9
71.04984	0.8
71.56953	0.8
72.08131	0.6
82.05228	0.6
84.08127	1.0
85.02902	1.3
87.58076	0.6
91.05489	12.5
93.07029	1.1
103.05489	0.6
107.39343	0.5
115.05460	3.4
117.03382	0.7
117.05771	1.4
117.07014	3.1
118.06551	52.2
119.04947	5.3
121.06523	4.8
132.08118	0.8
137.05090	0.4
137.05975	15.5
142.06522	4.0
143.07314	5.6
144.04460	4.1
144.08093	21.4
145.02896	0.7
146.06018	100.0
155.06056	0.8
160.07587	1.9
162.05534	2.6
163.03932	1.3
164.07106	1.1
170.06039	7.3
172.03976	1.3
176.07079	6.1
177.05519	1.9
178.08646	25.8
183.51163	0.5
188.07077	63.7
190.05032	2.0
196.09746	1.6
204.06564	6.2
208.06085	0.7
222.07626	29.0
240.08679	1.0
280.08221	1.0
296.67426	0.5
328.50397	0.6
376.13931	61.2
409.13937	2.5
434.14389	1.6
545.19049	0.8
563.20258	44.0
564.21594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
55.05510	2.8
57.07081	2.4
67.05506	4.5
69.03426	2.6
69.07075	2.1
70.17617	1.8
71.05014	2.7
79.05500	1.6
81.03415	2.5
81.07066	3.5
83.04996	7.2
84.08141	1.0
85.02926	2.1
85.06552	100.0
86.09674	0.5
91.05496	2.7
93.07037	4.5
95.04984	1.2
95.08614	3.1
97.02908	2.7
97.06545	7.0
102.83380	0.5
103.07603	4.4
105.07029	1.4
107.08625	3.5
109.02881	1.8
109.10172	7.7
111.08072	0.6
113.06020	1.2
114.10318	1.7
115.77453	0.5
121.06543	1.4
121.10159	4.8
123.08070	3.3
127.03927	3.8
131.08603	1.5
135.08058	3.3
137.06013	5.7
137.09628	1.5
139.11188	12.1
147.04427	0.8
149.09645	6.0
149.12350	0.4
151.07574	0.6
153.09071	1.1
163.03899	0.8
165.05486	0.5
167.10695	43.0
177.05531	1.6
181.08650	1.9
185.11809	0.7
188.07176	0.7
199.09680	16.6
203.12790	4.4
227.09082	0.6
241.78088	0.6
245.10287	2.0
251.62547	0.5
283.15549	0.9
293.13904	0.8
311.14938	6.0
320.82791	0.5
328.31552	0.5
329.15948	7.2
347.17078	6.6
351.15756	0.8
351.47360	0.5
356.66699	0.5
377.33655	0.6
563.21637	2.4
573.61017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01876	8.4
55.05270	1.8
55.05518	21.6
57.03433	2.6
57.07068	2.8
65.03938	2.0
67.05508	73.0
69.03438	1.8
69.07072	34.6
71.05006	7.9
71.57944	1.9
79.05498	48.8
81.07063	100.0
81.55084	1.3
83.04986	7.3
83.08629	12.4
85.06548	11.5
87.83633	1.6
91.05488	31.5
93.07053	52.5
95.04968	3.6
95.08615	64.1
97.06535	12.0
97.10181	8.8
99.08109	13.6
101.05583	1.3
105.07040	24.6
107.08605	33.7
108.90281	1.4
109.06537	4.5
109.10165	27.2
111.08128	7.0
112.97927	1.4
113.09608	1.8
115.06899	1.3
115.07555	7.6
117.07026	7.9
119.07762	2.2
119.08586	21.6
121.10153	48.7
123.08090	4.4
123.11727	10.7
125.09638	19.4
129.07031	3.7
131.08572	10.6
133.10155	20.1
135.11705	40.3
137.09636	4.7
137.13269	3.8
139.11188	3.1
143.08595	3.2
145.10139	12.0
147.11693	15.9
149.13269	13.0
151.11168	8.0
153.12747	2.1
155.10619	1.5
157.10187	2.9
159.11707	9.6
161.13266	8.0
163.11206	2.4
163.14836	3.7
165.12740	4.2
169.12207	1.4
171.11713	5.6
173.13301	5.5
175.14836	2.9
177.12793	2.8
179.14339	3.5
181.12248	4.1
181.15871	1.8
185.13272	3.7
187.14903	1.9
189.12796	1.6
191.14406	1.6
195.13799	5.3
199.14793	2.4
207.13850	1.6
209.15317	2.0
215.17899	8.0
233.18976	7.6
241.19608	4.1
251.20091	27.3
259.20612	13.7
275.20108	2.5
277.21646	67.0
282.39371	1.6
293.21014	1.7
293.98120	1.6
295.22705	60.1
353.92633	1.5
443.30917	1.6
509.40027	3.3
527.40955	6.6
545.42554	7.5
563.34369	3.3
563.43457	8.0
573.34064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
57.03424	3.8
58.59185	2.0
61.02919	6.5
69.03430	8.5
70.06609	2.6
71.58105	3.5
73.02896	4.4
79.05528	2.1
85.02905	24.4
91.03928	3.0
97.02873	10.6
98.97599	5.3
103.05493	4.1
119.03429	3.6
119.04930	2.1
122.45373	1.9
123.04396	2.6
124.94658	1.9
127.03905	4.9
129.06998	2.1
131.04924	11.6
137.05962	2.7
141.07027	3.9
145.04945	3.9
147.04420	3.8
149.08376	2.2
155.07060	4.0
157.06476	2.1
161.06023	5.6
163.03944	14.1
167.06990	3.9
169.06479	6.5
173.05994	3.4
177.00633	4.0
177.05510	4.6
180.08879	3.8
186.06773	2.4
187.03946	10.2
187.07574	6.2
189.05510	5.6
191.07050	17.5
193.08606	2.5
197.06018	8.8
197.07672	2.3
201.05528	2.9
203.07048	5.3
204.04185	12.3
205.08453	3.2
207.06465	3.5
213.05444	3.3
215.07043	9.4
217.04970	6.0
218.05740	3.2
219.01805	3.8
219.06587	18.2
221.08145	3.0
229.08614	8.9
231.06631	5.7
233.08157	2.6
237.02792	3.2
242.05794	3.8
243.06544	7.2
245.04407	7.6
245.08078	6.6
247.09721	6.4
249.07645	3.0
257.08066	14.7
260.06824	20.8
273.07687	4.8
275.09171	87.8
277.07144	12.0
287.05484	10.0
301.07028	8.9
319.08167	36.5
335.88797	2.1
337.09186	100.0
355.10287	4.7
385.11249	13.0
473.09641	5.0
564.19855	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	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12941	2.1
53.03938	7.6
55.01866	11.1
55.05513	41.8
56.31326	1.9
57.03415	7.9
57.07077	18.4
60.54171	2.3
61.02916	7.3
62.16349	2.1
64.64339	2.1
67.05508	33.0
68.99791	3.8
69.03434	36.7
69.07072	73.2
69.07452	4.1
69.79636	13.3
71.04977	6.8
71.08627	10.9
73.02910	5.6
79.05495	12.8
81.03420	34.4
81.07059	59.9
82.99806	2.2
83.04981	5.4
83.08624	60.3
85.02908	100.0
85.06540	5.0
85.10181	4.5
87.00832	47.1
91.05489	19.0
93.07050	22.3
95.04975	3.9
95.08614	50.5
97.02898	34.9
97.06518	6.4
97.10180	56.9
99.04478	13.7
99.08082	3.8
105.01870	54.2
105.07045	17.0
107.08597	19.1
108.04449	2.3
109.02890	30.6
109.10158	26.7
111.08067	7.3
111.11722	28.5
119.08574	24.7
121.06530	4.9
121.10137	21.7
123.08077	4.5
123.11710	12.5
124.10175	2.2
125.09570	3.3
125.13269	13.4
127.03922	60.7
129.01819	7.1
129.09082	3.5
131.08598	3.0
133.10138	23.9
135.11713	14.5
137.05963	6.5
137.09578	5.7
137.13251	4.1
138.06213	2.7
139.11189	4.1
139.14832	7.6
145.04976	24.1
147.11696	16.5
149.13246	13.6
151.11171	9.0
153.12738	5.9
155.10655	4.0
157.12262	3.8
159.02919	16.2
159.11659	3.0
161.13280	17.0
163.14830	9.8
165.12764	12.7
165.16374	9.5
167.14276	6.1
169.12227	5.5
170.11148	2.3
171.13766	3.0
175.14807	7.8
179.14281	7.9
179.17950	7.3
181.15843	2.9
183.13832	8.2
185.15373	8.1
189.03879	2.8
189.16388	10.9
193.15863	7.2
197.15349	4.6
199.16949	2.6
201.03905	2.7
207.17380	4.5
211.16856	3.5
213.03926	3.5
221.22629	4.9
225.18532	6.2
231.05031	17.3
235.16878	5.9
245.22655	48.8
249.06055	9.3
263.23721	91.2
281.24762	31.6
371.25748	12.4
389.26874	12.4
407.27771	7.2
449.28961	2.8
493.27985	16.1
511.29126	4.2
529.13733	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	564.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	20.7
57.03434	18.0
58.68375	6.0
66.23322	6.3
67.05510	76.4
69.07056	17.8
71.04999	6.8
71.55675	12.9
79.05496	51.5
81.07059	88.0
83.08645	12.7
91.05460	27.7
93.07053	73.9
95.08602	36.5
97.06508	11.0
107.08637	34.0
107.09199	6.4
109.10168	9.6
113.06091	6.2
117.07024	6.4
119.08605	6.3
121.10144	28.4
131.08557	16.2
133.10202	7.6
135.11667	13.1
135.45932	6.8
145.10069	8.0
149.13271	29.1
158.55536	5.5
159.11664	18.1
177.12749	8.7
195.13786	13.9
217.19267	7.3
269.17523	82.8
286.17319	6.7
335.25827	72.1
363.47507	6.4
407.22281	11.8
447.39874	7.8
529.38885	100.0
564.27209	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1555
Annotation	Apiin
Peak:m/z	Relative Intensity
53.78434	0.1
55.01859	0.1
57.03432	0.2
65.03948	0.1
67.01864	0.5
68.99803	0.3
69.03418	0.3
70.06581	0.2
71.57957	0.1
73.02905	0.4
79.05498	0.2
81.03394	0.1
82.92564	0.1
83.95838	0.1
84.08142	0.3
85.02903	0.3
89.03889	0.2
91.05488	0.5
95.04980	0.1
97.02898	0.3
107.04948	0.2
109.02866	0.2
117.03400	0.2
117.42222	0.1
119.04945	1.9
121.02871	0.5
121.06495	0.2
121.31042	0.1
127.03934	0.2
129.01851	0.1
131.04932	0.1
133.06548	0.1
135.04431	0.5
137.05969	0.4
145.02869	0.7
147.04387	0.3
151.03883	0.1
153.01842	3.9
157.06512	0.1
159.08102	0.1
161.05992	0.2
162.46637	0.1
163.03911	2.9
163.05246	0.2
165.05545	0.2
167.07057	0.4
169.62479	0.1
171.02887	0.2
177.05489	0.1
180.06520	0.1
181.04964	0.3
187.03995	0.2
203.07108	0.2
207.06511	0.5
225.05498	0.2
229.05096	0.2
243.06630	0.1
247.06076	0.1
271.06018	100.0
272.06323	0.8
273.12012	0.1
411.09225	0.2
433.11359	0.6
565.22156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
69.03423	0.7
70.06583	0.7
71.04988	0.5
71.58141	0.5
79.05498	0.6
83.01109	1.5
84.08154	0.5
85.02900	1.5
85.06535	0.3
86.09702	0.4
89.03902	0.7
91.05491	0.8
93.07066	0.4
95.01094	2.2
96.01873	1.1
97.02905	1.3
98.07052	0.3
103.05457	0.6
107.04960	0.6
107.08584	0.3
109.06535	0.3
112.01357	0.8
113.02135	3.3
117.03381	2.0
119.04948	1.4
121.02859	1.3
121.06515	0.4
123.04433	0.4
125.02100	0.3
126.02930	0.3
127.03834	0.4
131.04971	1.5
133.02835	0.4
137.05977	2.3
139.03745	0.6
141.05240	0.5
145.02846	5.6
145.06458	0.4
147.04475	0.7
149.06000	1.2
151.03891	0.7
151.07491	0.4
157.04802	0.7
161.05905	0.5
163.03914	0.6
165.05556	0.8
167.03224	0.7
167.07065	2.7
168.07388	0.7
175.04147	0.6
176.57616	0.3
177.05484	7.6
179.07077	0.6
181.04953	0.9
184.51540	0.3
185.04254	5.5
185.05756	0.7
191.03230	1.1
191.06964	0.6
201.03850	1.6
201.05266	1.5
203.03619	0.5
203.05205	1.5
206.05534	10.6
207.06381	1.0
211.04272	0.4
219.06647	0.5
221.07820	0.4
251.09187	0.6
267.06924	0.4
293.08383	0.4
294.05194	0.4
295.06058	2.1
307.06015	1.4
307.09317	0.4
308.06723	0.4
309.07693	0.6
321.07617	1.0
322.08484	0.3
325.07040	1.4
333.07672	0.7
335.09473	0.6
337.07034	1.4
337.10745	0.4
349.07071	1.4
351.08661	0.4
355.08041	0.4
355.11911	0.6
361.07175	0.8
363.08731	0.8
365.11920	1.8
379.08142	1.5
381.11609	1.8
391.08221	1.9
403.14011	0.9
409.09094	2.6
427.10452	2.9
462.27069	0.4
481.11542	1.1
511.12393	2.3
529.13599	1.2
565.18958	100.0
566.19476	1.1
568.72980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
69.03423	0.7
70.06583	0.7
71.04988	0.5
71.58141	0.5
79.05498	0.6
83.01109	1.5
84.08154	0.5
85.02900	1.5
85.06535	0.3
86.09702	0.4
89.03902	0.7
91.05491	0.8
93.07066	0.4
95.01094	2.2
96.01873	1.1
97.02905	1.3
98.07052	0.3
103.05457	0.6
107.04960	0.6
107.08584	0.3
109.06535	0.3
112.01357	0.8
113.02135	3.3
117.03381	2.0
119.04948	1.4
121.02859	1.3
121.06515	0.4
123.04433	0.4
125.02100	0.3
126.02930	0.3
127.03834	0.4
131.04971	1.5
133.02835	0.4
137.05977	2.3
139.03745	0.6
141.05240	0.5
145.02846	5.6
145.06458	0.4
147.04475	0.7
149.06000	1.2
151.03891	0.7
151.07491	0.4
157.04802	0.7
161.05905	0.5
163.03914	0.6
165.05556	0.8
167.03224	0.7
167.07065	2.7
168.07388	0.7
175.04147	0.6
176.57616	0.3
177.05484	7.6
179.07077	0.6
181.04953	0.9
184.51540	0.3
185.04254	5.5
185.05756	0.7
191.03230	1.1
191.06964	0.6
201.03850	1.6
201.05266	1.5
203.03619	0.5
203.05205	1.5
206.05534	10.6
207.06381	1.0
211.04272	0.4
219.06647	0.5
221.07820	0.4
251.09187	0.6
267.06924	0.4
293.08383	0.4
294.05194	0.4
295.06058	2.1
307.06015	1.4
307.09317	0.4
308.06723	0.4
309.07693	0.6
321.07617	1.0
322.08484	0.3
325.07040	1.4
333.07672	0.7
335.09473	0.6
337.07034	1.4
337.10745	0.4
349.07071	1.4
351.08661	0.4
355.08041	0.4
355.11911	0.6
361.07175	0.8
363.08731	0.8
365.11920	1.8
379.08142	1.5
381.11609	1.8
391.08221	1.9
403.14011	0.9
409.09094	2.6
427.10452	2.9
462.27069	0.4
481.11542	1.1
511.12393	2.3
529.13599	1.2
565.18958	100.0
566.19476	1.1
568.72980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84282	0.7
56.05030	2.2
56.28577	0.8
57.03436	1.1
57.67514	0.8
65.03958	1.3
65.27482	0.8
67.05495	3.1
69.03426	1.5
69.07073	9.7
70.00018	3.1
70.06590	2.0
71.04995	0.8
72.08159	2.0
73.02903	0.9
76.80298	0.8
79.05472	0.9
82.06581	1.9
84.08153	51.8
85.02912	6.9
86.09715	100.0
91.04961	1.4
91.05491	11.3
92.05800	1.3
95.04971	3.9
97.02895	2.6
98.97582	1.4
99.04546	0.8
103.05483	1.0
105.07029	2.2
109.06505	0.9
112.07610	1.2
113.06004	0.9
114.10300	3.2
119.04942	6.9
120.05287	1.1
121.06532	1.9
123.04461	1.0
128.07048	1.4
130.08650	17.4
131.04872	0.8
136.07603	1.4
137.05983	18.0
138.06323	2.2
145.02850	2.4
147.04413	2.2
150.05544	1.5
151.03967	2.1
152.07036	1.3
160.03929	1.0
161.05963	1.3
162.05577	1.2
163.03876	2.8
164.07050	3.0
166.05017	2.0
167.07069	1.9
175.03929	2.5
177.05496	4.5
179.03433	1.4
179.07050	1.0
180.06570	19.7
181.04977	2.8
192.06546	1.9
194.08180	4.1
195.08496	3.7
201.90823	0.9
207.06496	5.0
208.06036	1.4
216.10272	1.5
219.10236	1.2
220.70561	0.8
222.07637	11.9
224.09201	1.0
225.07561	0.9
240.08751	3.1
247.14569	1.3
307.16455	7.3
335.16019	1.2
337.14032	1.3
337.67236	0.9
351.15552	60.5
369.16638	12.3
377.65082	0.9
379.15005	3.3
403.13965	2.1
411.10980	2.2
429.20154	2.5
471.21326	1.6
473.19226	8.1
487.20743	1.5
503.23920	1.4
515.20044	3.5
547.22974	3.1
564.96167	1.0
565.17450	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	565.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10987	1.2
54.98441	1.0
56.96575	1.4
61.63012	1.2
66.13906	1.2
67.05515	1.6
69.07076	2.1
71.57651	2.4
79.05497	1.8
81.07065	4.3
85.02893	1.5
91.05493	2.8
93.07043	2.0
95.08610	2.3
96.03868	1.0
97.06588	1.2
105.07070	1.3
121.06529	2.9
121.10196	1.6
123.11713	1.3
133.10133	1.4
145.10117	1.5
163.04051	1.2
208.11937	1.2
254.71883	1.2
273.39081	1.4
275.15405	1.2
287.18509	3.2
299.18640	6.2
315.18140	1.5
317.19601	13.1
351.18265	1.5
443.12711	1.3
479.25562	8.2
521.26892	32.8
541.75720	1.2
565.26166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
56.96561	1.6
69.03416	1.7
69.07060	5.2
69.23936	9.5
69.24364	4.6
73.02909	2.4
73.06538	2.3
79.05485	1.7
81.07044	2.7
84.08130	1.8
89.69827	1.3
91.05470	3.2
93.07031	3.4
95.08609	2.0
98.20652	1.8
98.97552	1.7
103.05462	1.8
103.42161	1.4
105.06999	1.4
114.48840	1.4
120.23311	1.4
121.06521	15.9
125.40247	1.2
135.04422	2.0
137.05969	4.2
151.06390	1.4
152.07071	1.6
166.05003	4.1
167.07104	1.6
180.06564	40.5
220.73804	1.4
220.78098	1.4
251.11978	1.6
271.05817	1.4
280.11688	7.0
294.13364	68.6
322.12753	4.4
336.14420	100.0
442.18579	15.6
445.17410	3.1
474.20633	1.8
516.22156	5.0
552.08173	1.7
565.23944	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	565.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97735	1.1
53.03941	5.1
55.01878	6.5
55.05265	2.3
55.05515	40.7
56.96570	1.1
57.03432	4.2
57.07077	5.5
60.06157	1.1
65.03934	3.5
67.05510	78.1
69.03432	3.1
69.07073	53.5
70.71299	3.2
71.05009	9.8
73.06530	2.2
79.05499	49.8
81.03418	2.4
81.07063	100.0
83.04974	8.8
83.08625	24.3
85.06549	15.6
85.22800	1.2
91.05484	39.8
93.07049	54.1
95.04978	4.4
95.08611	70.4
97.06543	14.2
97.10165	18.2
99.08098	13.4
105.07037	29.2
107.08603	38.3
109.06535	5.7
109.10172	24.5
111.08080	6.9
111.11716	3.8
113.09621	2.0
115.07596	3.0
117.07030	9.0
119.07783	2.2
119.08580	26.0
121.06532	2.2
121.10155	48.4
123.08073	4.0
123.11714	9.0
125.09624	17.9
127.07595	1.7
129.06987	4.8
131.08585	11.7
133.10132	25.9
135.08084	2.2
135.11696	41.9
136.93086	2.6
137.09625	4.0
137.13295	2.9
139.11162	3.7
143.08559	5.3
145.10136	14.4
147.11697	24.0
149.09622	3.5
149.13290	13.9
151.11165	5.3
151.14816	1.9
153.12791	2.3
154.94188	4.8
157.10132	3.5
159.11702	9.5
161.13257	16.4
163.11211	4.5
163.14857	4.2
165.12788	5.2
171.11668	7.8
172.95213	7.7
173.11826	2.1
173.13208	7.7
175.11205	1.4
175.14856	5.9
177.12787	3.5
177.16272	1.2
179.14371	2.2
181.12251	3.3
185.13281	6.7
187.14824	1.6
189.16408	1.8
191.14320	1.7
193.46243	1.2
195.13818	3.9
195.96834	1.4
199.14787	1.9
201.16507	1.5
203.18025	1.6
207.13908	2.0
210.96790	1.3
213.16415	1.6
215.17911	2.0
217.19545	7.5
221.15442	2.1
228.97827	2.5
235.20613	8.7
241.19518	10.3
246.99149	1.3
251.20110	4.5
253.21614	3.2
257.19009	3.4
259.20596	20.9
263.04477	1.3
269.21106	2.4
277.21640	55.8
295.22687	19.5
310.51431	1.2
320.32880	1.1
415.35980	1.5
417.33926	1.5
431.35434	1.2
445.36832	2.5
493.40546	9.5
511.41434	24.7
524.23767	7.5
529.42609	26.3
547.43677	18.7
565.44629	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	566.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
57.03419	1.7
58.99587	3.3
59.96710	0.6
61.01153	27.2
61.23138	0.4
65.03922	0.7
67.71234	0.4
69.03407	0.5
71.58194	0.5
74.99063	2.3
75.02698	3.4
75.61255	0.4
77.00639	2.3
81.07047	0.7
83.52602	0.4
85.01136	2.4
85.02905	7.7
87.02695	39.8
89.04268	1.1
91.02185	1.2
91.05482	10.5
97.02907	0.8
105.00099	3.8
105.03738	4.5
109.06573	0.5
115.02158	0.7
117.03383	0.5
119.04948	5.2
121.06470	0.6
133.03192	100.0
137.05971	9.7
137.06950	0.8
145.02861	0.5
147.04424	0.5
163.03847	1.0
167.07065	0.4
168.31573	0.4
177.05479	0.8
178.05025	0.6
180.06448	0.4
188.91298	0.4
192.06613	1.3
194.08118	2.4
217.03136	0.4
220.06081	0.9
224.09250	0.5
229.74684	0.4
236.09093	0.5
238.07062	0.8
271.05917	0.5
272.06607	0.5
280.08191	1.9
288.06082	0.7
298.09119	0.6
315.62457	0.5
324.09036	0.9
352.08472	0.6
370.09766	0.8
386.13113	0.5
412.10608	11.8
434.14560	2.1
550.99622	0.5
566.16919	77.4
567.17242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
57.03444	2.0
58.99594	3.0
59.63774	0.3
59.96725	0.7
61.01157	25.4
62.93218	0.2
64.13249	0.3
65.03936	0.5
69.03423	0.4
70.06605	0.5
70.97758	0.7
70.99557	0.3
72.00354	1.0
74.99081	2.4
75.02708	3.6
77.00643	2.0
78.05159	0.2
78.77396	0.2
81.07061	0.3
85.01130	2.1
85.02914	8.3
86.99062	0.4
87.02702	43.9
89.04279	1.3
91.02190	1.1
91.05492	11.3
93.07055	0.2
95.08597	0.3
105.00102	3.8
105.03736	3.7
105.07011	0.4
109.06569	0.4
115.02169	0.7
115.64945	0.3
119.04949	4.7
121.06529	0.3
121.10181	0.3
133.03204	100.0
137.05991	10.3
143.10709	0.3
145.02928	0.5
145.10158	0.3
160.03984	0.5
162.05580	0.6
164.07088	0.5
176.23372	0.3
177.05507	0.9
178.05031	0.4
180.06645	0.3
192.06589	1.1
194.08121	2.0
201.16347	0.3
207.06577	0.3
220.06151	0.7
224.09305	0.5
236.09270	0.6
238.07199	0.9
251.87109	0.2
254.10278	0.5
272.06546	0.4
280.08121	1.4
282.48700	0.3
287.05466	0.4
288.06055	0.6
310.07303	0.4
324.09180	0.8
352.08560	0.5
368.95703	0.3
370.09744	0.6
386.13757	0.4
412.10675	8.6
430.11676	0.6
434.14493	2.0
501.06073	0.2
548.16364	0.4
566.16949	76.1
567.17401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03953	3.8
55.01873	0.4
69.40730	2.9
77.03941	1.0
79.05500	16.6
91.05491	7.1
93.07052	10.7
95.04977	4.0
98.20780	0.6
103.05477	55.2
105.04539	1.9
105.07037	2.6
106.06607	0.4
107.04964	20.7
119.04951	1.5
121.06517	39.5
123.04457	2.2
131.04939	18.4
137.06009	0.6
144.04472	0.6
147.04414	1.2
149.06029	1.2
152.07103	0.7
160.03961	2.1
162.05521	3.0
165.05537	0.9
167.07149	0.4
176.07137	0.6
178.05029	2.7
180.06572	3.5
192.06546	4.3
194.08142	15.2
206.04521	0.5
220.06081	2.4
222.07640	1.8
229.64059	0.3
236.09248	2.2
238.07152	1.9
254.10283	3.0
280.08109	3.3
298.09222	0.4
324.12387	0.6
326.10236	4.2
328.11893	0.5
340.11856	7.0
342.13391	11.2
354.09686	0.9
368.11212	2.9
384.14536	4.3
386.12369	10.0
402.15585	2.7
414.11871	1.1
418.15106	0.9
428.13449	20.7
446.14633	1.1
492.16336	0.6
548.19202	0.4
566.20264	100.0
567.20813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03936	1.4
55.01864	0.4
58.71657	0.3
65.03934	0.3
70.06582	0.4
71.58739	0.4
77.03931	0.4
79.00198	0.3
79.05486	0.9
81.03396	0.4
81.07031	0.6
84.08167	0.4
85.02882	0.4
85.49017	0.3
90.91412	0.4
91.05486	9.5
93.07046	3.3
95.04972	16.7
95.08613	0.4
103.05476	6.5
105.04523	0.7
105.07005	0.4
107.04940	1.8
109.06498	1.1
117.07077	0.4
119.04948	32.7
120.04493	0.4
121.06509	15.5
123.04432	54.3
131.04942	1.6
133.02798	0.4
135.07982	0.4
137.05981	2.8
147.04416	22.7
148.03912	0.6
151.06313	0.6
152.07074	1.4
164.07063	0.9
165.05484	19.1
166.04984	4.4
167.07076	1.6
168.07388	0.6
173.09552	0.4
180.06560	61.1
181.04961	0.5
194.08081	0.5
194.40526	0.3
208.06055	3.0
222.07616	34.1
237.14906	0.6
264.08496	0.4
286.10724	0.7
300.09445	0.3
301.24881	0.4
328.11786	3.5
330.09958	0.4
344.11304	4.1
370.12915	3.6
372.10632	0.8
386.12347	100.0
387.12930	0.6
492.16556	16.3
506.25156	0.5
524.19324	1.0
566.20135	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36292	1.2
53.03950	4.9
53.51764	1.1
55.01633	1.1
55.01870	6.6
55.13002	0.9
57.03448	7.4
61.02937	6.6
62.67382	1.0
68.99790	3.8
69.03074	1.8
69.03436	28.4
69.94452	3.8
71.04978	3.2
73.02909	6.0
75.89153	1.2
81.03423	19.5
85.02911	100.0
87.00838	39.7
91.03959	1.5
91.05492	3.7
93.07069	4.8
97.02895	29.0
97.03516	1.7
99.04468	12.1
103.03948	10.3
103.05480	2.3
105.01877	56.7
107.05028	1.0
109.02888	25.7
115.03945	1.3
117.01850	1.8
117.07039	2.7
119.05033	1.3
121.06511	45.6
127.03926	65.9
129.01845	3.6
131.08553	1.5
135.08144	1.6
141.07033	1.5
145.04970	22.8
145.06482	8.4
146.06047	1.6
147.02911	2.1
147.04420	3.6
155.08554	1.6
158.07361	1.1
159.02899	10.9
159.08052	3.4
163.03949	3.1
163.07539	8.6
165.07036	1.1
171.02896	3.3
173.06032	4.2
175.07536	1.3
178.08646	2.0
180.08679	1.7
183.08060	3.2
187.07559	15.4
189.03958	26.4
189.05548	2.1
189.09146	1.1
201.09070	3.9
201.40273	0.9
205.08635	19.1
211.07535	5.3
213.03981	4.9
222.11266	3.9
229.08643	23.5
231.05013	24.3
247.09685	22.1
249.06078	10.2
253.07071	1.2
266.10278	6.1
271.07996	1.3
315.08652	4.5
333.09662	10.9
351.10803	4.7
358.82007	1.0
359.40781	0.9
369.11810	10.3
387.13147	1.5
404.15704	1.8
432.80368	1.0
458.82736	1.1
566.22394	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
54.58475	1.0
55.01859	6.4
57.03433	5.6
61.02926	5.8
68.99788	2.8
69.03075	1.8
69.03436	29.2
70.48991	3.7
71.01339	1.1
71.04984	4.6
73.02917	4.2
81.03420	19.5
85.02908	100.0
87.00835	37.1
87.04488	1.6
91.03967	2.1
91.05495	2.2
93.07057	2.5
95.04978	1.1
97.02894	28.4
99.04460	14.3
103.03946	11.0
103.05421	1.4
105.01869	55.3
109.02889	27.6
117.01882	1.7
117.07018	2.4
121.06510	37.0
127.03920	60.8
129.01845	4.4
131.08524	1.2
135.08031	1.4
145.04964	24.5
145.06491	7.6
147.02888	2.5
159.02905	10.5
159.08136	1.3
161.64641	1.0
163.03931	7.2
163.07562	8.3
171.02908	2.5
171.08029	1.3
173.06004	3.0
180.08734	1.1
183.08066	2.4
187.07544	13.8
189.03947	27.6
201.09151	3.4
205.08620	17.7
211.07628	6.0
213.03920	2.4
229.08620	24.3
231.05008	25.8
247.09718	20.6
249.06049	9.7
253.07056	1.2
315.08630	4.4
322.16858	1.0
333.09702	15.0
351.10779	8.2
369.11832	15.8
566.20538	1.1
586.82269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
53.03944	1.3
55.01891	0.6
60.08166	1.0
67.05511	0.7
71.57839	0.7
73.64993	0.6
79.05495	0.8
85.06573	0.6
86.09721	2.9
87.04474	29.1
91.05485	8.5
91.20121	0.5
93.07053	10.0
95.04994	1.4
95.08622	1.2
96.25952	0.5
101.11314	0.5
102.00707	0.5
103.05467	7.5
104.10766	2.7
105.04510	0.7
107.08595	0.6
109.02975	0.6
116.05031	0.7
117.05725	0.9
118.06544	3.8
119.08639	1.1
120.04443	0.7
121.06516	40.7
122.06865	1.6
123.04435	0.6
125.00048	1.5
133.03223	1.1
134.09630	0.6
135.02797	1.3
136.07553	0.8
137.93047	0.6
144.04446	4.4
146.06021	12.7
162.05563	2.5
164.07071	5.3
165.07870	1.0
171.86272	0.6
172.04022	2.0
176.07077	6.7
178.08641	37.2
180.10204	0.8
184.07359	7.8
190.05077	2.3
200.48573	0.6
201.11276	1.3
203.87758	0.5
204.06599	5.3
208.06104	0.7
209.10434	0.8
217.28969	0.5
222.07617	11.6
248.09229	1.3
250.10771	3.5
251.11703	1.2
262.10870	4.1
264.12323	9.7
276.08841	1.2
290.10254	4.3
308.11301	38.2
316.15662	0.6
385.13715	0.9
386.14532	4.3
414.13443	0.8
428.17099	2.3
492.18515	0.9
493.56567	0.6
501.13651	0.6
518.76599	0.6
527.59808	0.6
566.23944	100.0
567.24365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
53.62857	1.1
55.01881	1.2
55.05522	8.2
57.03449	6.4
57.07081	1.8
59.05006	3.1
65.03929	1.5
67.05512	5.6
69.03071	1.9
69.03436	28.3
69.07070	7.3
69.81423	5.7
71.04601	1.4
71.04997	30.1
73.06544	1.8
75.09084	0.9
75.71617	1.0
79.05496	15.9
81.03440	2.3
81.07063	41.4
83.05000	2.7
83.08617	4.1
85.02913	16.8
85.06547	6.8
87.04477	13.2
91.03977	1.0
91.05483	17.1
93.07056	20.8
95.04984	2.5
95.08614	18.3
97.02900	20.9
97.06544	4.6
97.10204	4.9
99.04440	1.5
99.08102	14.0
103.05482	1.7
104.55057	1.0
105.07041	58.9
107.08600	26.8
109.02880	1.1
109.06538	4.2
109.10162	17.1
109.61462	1.0
109.79587	1.0
115.03937	23.0
115.05434	1.2
117.07027	3.8
119.04974	2.4
119.08595	18.5
121.06503	3.5
121.10163	15.6
123.04446	1.4
123.08111	2.2
123.11710	6.3
125.09647	38.1
127.03919	2.7
127.07578	6.9
127.11194	11.1
131.08598	10.9
133.04987	18.8
133.10143	100.0
135.11732	5.5
135.42601	1.0
137.05980	4.0
139.11217	3.3
143.10686	95.5
145.02878	3.4
145.04974	3.0
145.10117	16.4
147.04373	5.0
147.11702	23.8
149.05901	1.2
149.09541	1.1
149.13274	11.6
151.11217	7.4
155.10703	2.3
157.10233	1.3
159.11723	12.9
161.13261	8.5
163.03944	3.9
163.11156	1.3
165.05525	1.2
165.12798	1.2
167.07050	1.7
167.14330	34.2
169.12215	7.9
173.13342	1.7
175.07542	1.6
175.11288	1.2
175.14812	1.9
177.05489	5.2
177.12769	1.7
177.16370	1.3
181.05002	1.3
185.08179	1.2
191.17987	2.3
201.16411	16.5
203.17938	1.1
219.17459	90.4
237.18513	23.2
237.20721	2.1
245.72720	1.1
259.08133	2.7
261.18512	1.3
295.10242	4.5
351.21555	1.9
368.05124	1.1
381.22766	1.3
566.18964	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	566.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.05507	21.2
57.03432	10.4
61.55190	5.9
65.95078	4.8
67.05224	4.9
67.05511	63.6
67.25468	5.8
69.07085	31.6
71.04975	8.2
76.32458	4.8
78.99720	4.0
79.05498	43.9
81.07062	86.2
83.04967	5.3
83.08613	15.1
85.06544	7.3
87.22559	4.2
91.05492	21.8
92.41915	4.3
93.07044	48.0
95.08609	76.5
97.06530	9.0
98.21518	10.1
105.07034	28.8
107.07912	4.4
107.08591	23.8
109.10178	22.1
119.08607	23.8
121.06480	10.2
121.10149	17.1
123.11704	11.2
131.08609	10.5
133.10149	19.3
135.11681	16.4
135.68022	4.7
145.10156	8.4
149.13248	6.0
161.13303	26.0
173.13272	6.1
179.14304	19.7
229.49004	7.5
245.95146	4.3
253.18008	18.3
261.22150	14.6
271.16147	5.4
271.18909	31.0
335.25858	100.0
363.03622	5.9
531.40533	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	567.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42939	0.7
61.62886	0.8
66.63497	0.9
69.38938	1.7
69.39338	5.8
98.97576	3.5
116.98607	1.9
123.11266	1.0
134.99634	0.9
181.36612	0.9
216.98868	3.2
219.01939	1.0
222.97957	1.3
232.96693	2.1
234.96544	0.9
235.00020	4.3
240.98969	5.7
250.32748	0.8
256.96643	3.5
258.97021	2.0
259.00000	33.8
260.00082	1.5
260.99884	2.7
261.02924	1.1
264.98990	4.2
274.97739	6.6
275.97806	2.4
276.97598	4.7
277.01013	21.2
279.00925	1.2
283.00003	97.2
284.00336	4.3
284.99832	3.6
294.71533	0.9
298.97745	6.8
299.97858	2.1
300.97742	6.9
301.01038	100.0
302.01218	4.1
303.00952	4.3
316.95728	1.5
316.98862	7.6
317.98898	3.5
318.98575	6.6
319.02158	3.7
324.02637	2.6
356.97433	1.1
359.00101	1.2
383.00146	2.9
398.94769	2.1
401.01416	9.7
402.01050	1.0
406.99805	4.3
418.98822	1.3
425.01154	35.2
427.01392	1.2
440.99078	2.8
441.99100	1.4
443.02530	55.4
444.02383	3.6
445.02066	1.9
459.00259	1.8
459.99866	1.2
460.99805	3.1
466.03955	2.7
500.98303	4.2
525.01666	1.6
536.99939	1.3
542.98944	2.4
549.01306	37.1
550.01392	1.6
567.02521	55.4
568.02234	2.0
585.00201	8.4
590.04321	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41836	1.1
53.03942	1.4
55.83680	1.3
61.02931	1.7
67.05520	1.4
69.03435	3.2
71.56363	2.2
81.03431	2.0
85.02905	13.3
91.05505	3.4
93.07066	3.1
95.04981	32.7
97.02920	3.2
107.08620	1.4
109.02901	2.2
119.04958	7.6
121.06515	2.6
123.00811	3.9
123.04452	12.0
127.03928	3.9
137.06001	1.8
145.04987	3.4
147.03363	1.2
147.04407	5.9
151.03917	85.5
163.03871	1.3
163.06010	1.7
165.05490	100.0
175.03973	3.0
183.06586	3.3
193.04956	12.0
207.06560	5.4
211.06038	13.3
219.14119	1.3
224.93379	1.4
225.07591	35.3
238.55769	1.4
243.08670	6.9
548.36011	1.3
567.22479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1924
Annotation	Genameside C
Peak:m/z	Relative Intensity
53.03944	1.8
59.96428	1.1
61.02923	1.1
61.57291	1.0
63.02671	0.9
67.05502	1.7
69.03434	3.2
70.60488	2.6
71.04986	1.0
79.05505	1.5
85.02913	10.3
87.00843	2.1
91.05476	4.0
95.04364	1.7
95.04977	32.7
97.02909	3.3
98.21418	1.1
98.97594	1.0
99.04435	1.0
105.04473	1.2
109.02873	1.2
119.04945	6.0
121.06479	1.7
123.00806	3.4
123.04442	15.4
127.03898	2.8
134.77979	1.0
137.05954	2.1
141.01839	1.1
145.04964	2.9
147.04407	6.1
151.03923	84.2
163.03931	1.7
165.05495	100.0
175.03947	3.3
183.06488	1.9
193.04970	14.2
207.06612	5.8
211.06053	17.8
225.07588	38.1
229.21188	1.0
243.08617	7.5
269.45834	0.9
284.22900	1.0
567.21436	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.01862	1.7
65.03952	7.6
67.05505	1.1
69.03436	0.9
69.20155	4.2
69.20580	5.0
78.04715	3.5
79.05497	8.0
79.99722	0.8
81.07047	1.0
82.04185	0.9
91.05491	11.5
92.04008	1.0
93.03398	5.7
93.07046	1.6
95.04960	2.9
97.08815	0.9
98.21465	1.4
103.05460	7.3
103.43311	0.9
105.03402	2.0
105.07035	13.6
106.04177	2.0
107.04965	11.6
110.03686	6.1
111.04449	5.4
115.05486	5.8
117.06987	1.9
118.04163	2.9
119.04964	8.6
119.08575	1.7
121.06517	15.6
122.03658	1.6
122.06849	5.0
123.04442	7.7
123.07044	1.1
124.05235	4.4
125.06000	9.2
128.06221	4.7
129.07008	8.8
130.04164	1.3
131.04932	5.8
132.05716	4.1
133.02872	1.8
133.06505	9.2
134.03650	0.9
135.04437	1.6
135.08035	1.8
137.06004	11.3
141.07004	1.7
143.04875	1.4
144.05675	2.4
145.06493	2.3
146.03596	1.1
147.04417	9.2
147.08038	2.8
149.06000	1.8
149.22121	0.9
151.03947	2.0
151.07512	1.2
152.04660	2.3
153.05479	37.2
153.06743	1.9
155.04944	0.9
156.05693	2.3
159.08057	9.0
160.05164	1.9
161.05977	14.3
161.09581	1.1
162.06763	1.1
163.07574	1.6
167.07054	100.0
171.08028	1.9
172.05188	3.0
173.06120	1.0
175.07550	23.3
177.05519	2.2
178.07803	2.6
179.07031	6.1
179.08472	2.2
181.05019	1.4
181.06557	1.3
181.08575	1.0
184.05209	2.2
185.06009	1.7
186.06790	1.9
187.07556	22.8
189.05429	5.3
189.07056	3.8
189.09105	1.8
190.07776	2.5
191.07010	8.7
191.08597	4.0
192.04082	0.9
193.06607	1.0
198.06848	0.9
199.07515	8.0
202.07780	5.0
203.08636	5.7
205.06488	2.7
206.07234	4.2
207.06389	1.8
207.08044	2.7
209.08076	2.4
215.08684	1.9
216.07762	4.0
217.06555	2.1
217.08560	1.6
218.07246	5.1
219.08073	7.8
220.08813	2.9
221.06027	1.8
221.09633	5.4
223.07492	2.0
229.06479	1.0
229.08611	2.5
231.08061	5.1
232.08897	2.5
233.05946	3.6
233.09636	4.4
234.06683	5.1
234.10359	1.0
235.07571	5.4
236.08353	2.6
237.09073	1.9
243.08038	1.6
245.05937	2.7
245.09601	1.0
246.06755	3.2
247.07545	6.5
248.08391	5.4
249.09126	8.6
250.09962	1.8
251.07048	3.4
251.10677	4.3
259.07684	2.3
260.08344	2.7
261.05426	2.5
261.09253	4.7
262.06262	2.7
262.09882	2.1
263.06985	3.2
263.10672	2.8
264.07938	4.7
265.08594	7.8
266.09406	1.4
267.10138	1.6
273.09174	1.1
274.06296	1.5
275.06995	3.8
276.07834	8.8
277.08600	6.6
278.09357	4.9
279.06610	1.5
279.10153	4.1
280.07608	0.8
280.11002	1.2
281.11737	7.8
283.09821	1.2
288.07730	1.6
289.08572	3.8
290.09390	2.8
291.06836	1.6
291.09866	4.9
292.07339	1.8
292.11053	1.1
293.08075	5.5
293.11496	2.0
294.08908	2.3
295.09668	1.9
304.07388	2.3
305.08133	3.0
306.08972	2.1
307.09641	18.2
308.10452	5.6
309.11246	11.1
310.12131	1.1
311.12811	1.4
319.09662	9.9
320.10419	1.9
321.07913	1.4
321.11252	8.1
322.11792	1.9
323.12750	5.5
326.11459	2.4
337.10776	2.4
339.12296	57.1
341.13824	20.6
351.12305	24.3
352.12674	1.0
353.13937	9.3
369.13263	2.1
499.17731	1.5
558.90863	1.0
567.21289	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01877	0.8
55.05518	4.8
56.96582	4.1
57.07077	0.9
58.99585	3.1
60.04528	8.3
65.03923	1.4
67.05171	1.2
67.05512	16.6
68.05025	2.0
69.03425	1.2
69.07076	8.2
69.30691	2.1
69.31106	4.9
71.05010	1.7
79.05504	10.4
80.05016	17.2
81.05809	1.0
81.07066	18.7
83.04976	3.0
83.08617	2.9
84.04514	3.2
84.96040	1.1
85.02917	0.8
85.06552	1.4
86.00670	0.9
86.99062	1.7
88.03990	2.8
91.05492	8.9
93.07053	12.9
94.06491	0.8
95.04980	2.3
95.08607	11.6
96.04491	5.2
97.06531	2.7
98.97588	1.5
100.02216	2.8
103.05473	0.8
103.32440	0.9
105.06385	1.2
105.07035	13.6
106.05040	18.9
107.04961	2.2
107.08598	8.3
108.04491	1.8
109.06528	5.6
109.10175	6.8
111.08102	1.4
114.03763	20.3
117.07001	4.3
119.08588	8.2
121.06506	7.3
121.10131	5.4
123.08073	2.8
123.11701	1.9
124.02170	1.7
126.05486	0.8
128.01669	9.6
129.07039	1.9
131.00169	0.9
131.08574	6.6
133.06516	1.5
133.10147	8.5
135.08086	3.1
135.11723	3.2
136.03944	1.8
137.06021	0.8
137.09610	1.2
142.03232	100.0
142.15701	0.8
143.03731	1.0
143.08583	1.5
144.04796	1.6
145.06473	1.2
145.10168	6.9
146.02718	2.6
147.08069	2.0
147.11673	5.4
149.07121	3.0
149.09627	2.6
149.13278	1.9
151.11201	1.8
155.08582	1.0
157.10127	1.6
159.11697	4.9
161.09622	1.8
161.13257	1.9
163.11168	2.0
165.05437	1.0
165.06613	1.4
169.06102	1.2
169.10159	1.0
170.02727	19.2
171.11681	1.2
172.04344	0.9
173.09686	1.1
173.13283	2.9
174.02225	5.6
175.11249	1.8
177.06584	2.7
177.12843	2.0
183.11629	1.9
184.07510	1.0
187.11174	0.9
187.14745	1.2
188.03749	1.3
189.12682	1.2
191.14366	1.2
192.03268	3.1
195.07664	2.7
201.12968	1.2
207.13817	4.6
211.05386	8.2
211.07195	5.2
219.13821	2.2
223.07146	28.1
229.06462	3.0
229.19470	1.4
239.05194	0.9
239.18007	2.6
247.20682	1.3
257.05927	91.6
257.18982	6.2
275.06964	19.3
275.20084	62.6
293.21112	37.0
305.17953	1.0
345.20966	6.2
363.21994	7.3
387.22021	1.4
405.23138	3.5
507.26331	1.3
567.27740	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	567.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01881	1.6
55.05510	5.4
56.18841	0.9
56.96564	3.8
57.07085	1.1
58.99582	2.3
60.04527	8.3
65.03938	0.9
67.05508	14.8
68.05038	2.5
69.02238	0.9
69.07075	6.4
70.75367	2.2
71.04996	1.1
74.00671	1.3
79.05498	10.8
80.05019	15.0
81.03420	1.9
81.05779	1.2
81.07064	17.1
83.04984	3.1
83.08610	2.0
84.04491	1.6
85.02907	1.1
86.00604	1.4
86.99061	1.0
88.03981	3.2
91.05479	9.2
93.07050	11.7
95.04962	3.2
95.08611	11.8
96.04517	4.9
97.06535	2.1
97.10166	1.1
98.97601	1.6
100.02200	1.8
105.07027	13.6
106.05040	16.1
107.04945	2.8
107.08609	7.3
108.04497	3.4
109.06522	5.5
109.10161	6.6
110.06050	1.0
111.08072	1.3
114.03761	17.9
117.07052	4.8
119.08596	8.7
121.06512	7.5
121.10160	4.2
123.08089	2.6
123.11735	2.2
124.02213	1.6
128.01671	7.3
131.08577	8.0
133.06462	1.9
133.10136	9.8
135.08084	3.1
135.11707	2.8
137.09621	1.7
142.03230	100.0
143.08566	2.1
144.04774	3.1
145.06497	1.0
145.10123	6.6
146.02719	2.6
147.08041	1.4
147.11688	5.0
149.07111	4.0
149.09630	1.9
149.13249	1.4
151.11203	2.0
155.08588	1.4
157.10143	2.4
159.08069	2.1
159.11710	4.9
161.09653	1.7
161.13277	2.2
163.03896	1.1
163.11185	2.8
165.06647	1.6
170.02698	19.4
171.11731	1.7
172.04250	1.6
173.09654	1.7
173.13303	2.2
174.02206	4.7
175.11185	1.6
177.06645	3.0
177.12836	1.2
183.11644	1.0
191.14340	1.6
192.03308	3.6
195.07693	2.7
207.13805	2.5
211.05373	7.3
211.07207	4.5
219.13812	2.5
223.07149	26.9
229.06488	2.9
239.05096	1.1
239.18010	2.0
257.05920	89.7
257.19067	6.8
275.06979	18.9
275.20081	59.1
275.23151	2.4
277.14856	1.0
291.19571	1.1
293.21133	34.4
305.17743	1.0
345.20850	4.5
349.18542	1.1
363.22055	4.0
403.12366	1.0
405.22989	3.2
457.49118	1.0
469.59149	0.9
507.25809	1.5
549.25995	1.3
567.27722	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01864	1.4
55.05502	1.8
58.80416	1.0
59.04983	1.3
65.03940	0.8
67.05508	4.3
69.03436	8.2
69.07067	1.1
70.76398	1.5
70.76730	1.4
71.04977	2.5
78.80115	0.8
79.05483	8.7
81.03404	3.1
81.07059	4.5
83.04986	1.2
85.02886	2.5
85.06554	1.9
91.05484	7.7
93.07055	8.2
95.04957	1.7
95.08610	8.7
97.02893	12.7
97.06555	1.3
98.20931	1.2
99.04471	2.0
103.05450	1.8
105.07042	6.0
107.04948	2.8
107.08601	30.4
108.83218	0.9
109.02886	11.0
109.06555	4.0
109.10139	2.8
111.08084	4.3
115.05502	0.9
117.07018	1.9
119.04961	1.8
119.06022	0.9
119.08573	2.0
121.06499	8.0
121.10179	1.6
122.56075	0.8
123.04430	1.2
123.08074	7.2
123.11687	1.7
125.05993	2.5
125.09636	1.3
127.03931	17.2
131.04890	1.4
133.06496	0.9
133.10100	1.2
135.08063	100.0
137.06012	5.4
137.09583	2.0
139.07509	2.3
145.04967	30.8
147.11711	2.6
149.09589	8.5
149.13138	1.1
151.03865	2.0
151.07558	1.9
151.11073	1.1
153.09105	12.6
155.07071	2.2
157.62244	0.8
161.05943	1.3
163.07555	7.1
163.11234	1.0
165.05444	3.0
167.07079	7.3
175.07542	1.5
177.05472	2.4
179.07089	1.7
180.06575	1.9
181.05026	0.9
181.07080	1.7
181.08611	25.0
187.07687	0.9
187.86868	0.8
189.12730	3.0
191.14275	1.0
197.08066	1.9
199.09666	31.0
207.13799	19.1
209.15462	1.2
243.10143	1.3
252.08635	5.6
271.11728	3.0
289.10800	1.1
294.09683	5.2
307.11920	9.1
325.12827	12.3
339.12231	2.3
341.13748	1.3
343.13870	7.6
351.12128	1.4
416.13660	1.0
434.61261	0.9
531.61902	0.9
535.19397	1.3
567.23853	3.8
567.34827	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01867	0.9
55.05502	1.0
57.03419	0.7
57.07044	0.5
59.04987	0.7
59.51025	0.4
59.96987	0.4
65.03938	1.0
67.05509	3.6
69.03432	4.6
69.07064	0.7
70.75150	0.7
70.75501	0.9
71.05004	2.0
73.02906	0.5
73.95142	0.4
75.71793	0.5
79.05494	6.5
81.03423	3.5
81.06644	0.4
81.07034	2.5
83.01331	1.0
83.04959	0.8
83.08607	0.5
85.02911	2.1
85.06538	1.1
86.99252	0.4
91.05480	5.4
91.07008	0.4
93.07051	7.1
93.90552	0.5
95.04945	1.3
95.08607	5.0
97.02905	9.1
97.06521	1.3
99.04466	2.2
103.05459	0.8
105.07042	3.1
107.04950	2.8
107.08601	31.6
109.02888	11.9
109.06548	2.4
109.10167	2.2
111.08102	3.8
115.03954	0.5
115.05450	1.5
117.07021	2.1
119.04950	0.9
119.06076	0.6
119.08595	1.8
121.06520	3.5
121.10141	1.6
123.08077	3.4
123.11729	1.1
125.05991	1.2
125.09633	0.5
127.03927	12.1
131.04898	0.8
133.06522	0.8
133.10101	0.6
135.08061	100.0
137.06000	2.8
137.09616	1.2
139.07544	1.3
145.04970	23.4
145.10121	0.5
147.04451	0.5
147.08020	0.7
147.11685	1.5
149.09636	6.1
151.07549	1.2
153.05524	0.5
153.09111	16.1
156.09340	0.5
159.08080	0.9
161.05902	0.5
161.09569	0.5
161.13249	0.9
163.07558	5.4
165.05550	1.1
165.12767	0.5
167.07002	2.4
171.11707	0.9
174.10429	0.5
177.05496	0.9
179.07069	0.5
180.06621	0.6
181.08601	18.2
187.07463	0.5
189.12762	3.4
191.07033	0.7
191.14305	0.7
199.09668	21.7
207.06494	0.5
207.13824	15.5
221.11951	0.4
225.14845	0.7
229.16956	0.4
239.09015	0.9
241.10696	0.5
252.08649	0.5
253.10793	0.5
271.11768	1.2
289.10739	0.8
307.11792	7.7
325.12842	8.9
339.12445	1.1
343.13837	5.4
371.13391	0.8
393.14969	0.4
395.15234	0.5
406.52737	0.4
478.16559	1.2
524.17639	0.4
549.22760	1.2
567.24188	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	568.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01868	3.3
56.96559	2.2
69.03420	4.7
69.41924	13.3
71.04999	2.8
74.00669	6.2
74.48270	1.7
76.04016	9.8
80.05017	2.0
83.06111	4.8
84.04519	14.7
84.28178	1.8
85.02917	8.7
85.04031	22.8
89.03919	2.6
92.01711	8.4
96.04512	3.5
97.02896	6.4
98.97602	4.6
100.02213	2.8
103.05465	2.0
103.50452	1.6
107.99435	3.1
108.04484	9.1
110.97608	2.4
112.02213	9.3
112.03976	5.1
113.03510	8.5
114.03765	2.1
114.33244	1.7
116.98582	2.0
119.04902	2.0
120.08127	15.3
121.06483	12.7
127.03976	2.6
128.98584	1.9
129.06624	2.4
130.05013	28.4
131.04526	21.4
131.99397	7.4
133.06447	1.8
135.04398	3.0
136.03966	19.5
136.04855	2.6
136.05344	1.6
136.06165	12.7
137.06010	2.1
139.03305	3.7
140.01665	31.6
142.03252	25.3
143.00111	2.3
147.04427	2.1
149.03786	2.1
153.06645	1.8
155.08092	1.9
159.02245	3.0
160.00650	5.0
163.03943	19.6
164.04315	2.7
166.08672	8.2
168.01151	5.0
169.04359	4.7
169.06055	3.3
170.02727	11.5
177.03300	100.0
181.06126	6.4
185.03822	23.2
189.01451	1.7
193.05986	3.8
197.03838	4.4
211.02156	2.4
211.07156	7.4
215.04886	4.4
219.01857	2.4
231.02065	2.5
231.04346	46.5
235.02040	8.6
243.02258	2.4
243.04398	17.0
245.05930	10.9
268.10565	2.4
271.02100	7.2
275.01767	2.6
288.06537	6.0
306.07562	10.5
318.06171	3.7
339.07281	2.6
346.05154	3.2
357.08481	3.4
381.08746	2.1
421.08502	59.1
475.09439	14.4
487.09525	2.0
550.12891	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	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18296	0.9
55.01862	3.3
61.02919	2.5
63.00727	1.1
65.03928	1.3
69.03423	6.5
69.94215	4.5
70.06596	1.5
71.04971	1.3
73.02896	1.1
79.05492	2.5
81.03405	4.9
85.02909	19.3
89.03910	1.3
91.05498	9.6
93.03400	1.6
93.07055	2.8
95.04956	1.1
97.02893	6.1
99.04462	1.4
103.05441	5.5
107.04939	5.2
109.02914	2.0
113.61383	1.0
115.05429	5.8
116.60299	1.0
117.03367	1.5
117.07018	10.4
119.04928	2.3
121.06504	19.6
122.03654	2.0
123.04392	1.4
124.05209	1.8
125.05995	3.2
127.03912	3.6
129.07001	3.8
131.04921	8.0
133.06441	2.3
135.04402	2.9
136.04784	1.2
137.05980	47.7
139.07558	1.6
141.06985	1.7
143.04912	5.2
144.05710	2.2
145.02864	3.6
145.04973	3.6
145.06479	14.9
146.03223	1.3
146.07277	23.2
147.04433	2.0
147.08020	4.4
151.03879	1.7
151.07501	2.7
153.05478	5.3
155.06056	1.5
156.05702	2.6
157.06499	4.7
159.08066	1.8
160.05197	7.6
161.05988	2.5
162.06743	3.2
163.03883	13.0
163.07515	1.4
164.04276	5.8
167.07068	17.3
173.05989	20.0
175.07559	41.8
177.05470	4.1
177.09116	100.0
180.08720	3.4
187.07584	14.9
189.09106	3.6
190.06273	9.3
191.06989	2.1
193.08566	1.2
202.06221	1.5
203.07002	8.2
205.08601	45.6
217.08560	14.5
221.08061	1.3
233.08069	1.3
235.07463	1.2
235.09637	27.2
244.09717	1.4
247.09666	3.9
249.09096	1.6
261.09189	1.6
265.10760	17.4
270.42566	1.1
277.08459	1.8
278.09433	1.6
280.08099	1.4
285.07544	1.4
300.09985	3.6
307.09064	1.4
309.11008	1.2
314.52197	1.2
321.11090	2.6
341.13818	4.0
353.13867	6.2
371.14948	12.6
463.42014	1.3
568.22583	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	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28241	0.5
55.01873	1.0
59.88350	0.5
69.03436	2.1
70.03186	1.3
70.03581	1.2
70.06580	1.1
78.04707	1.3
79.05495	2.5
81.03419	0.7
85.02914	4.4
91.05489	5.9
95.04975	1.1
97.02892	1.8
98.00359	0.5
99.04485	0.6
103.05463	1.6
105.07041	3.8
106.04131	0.7
107.04958	5.6
114.39560	0.5
115.05466	1.3
117.07024	1.9
119.04945	3.0
119.08574	0.6
121.06528	1.9
123.04431	4.1
123.08086	0.5
124.05172	1.5
127.03925	1.2
128.06264	1.3
129.07021	4.1
131.04936	1.7
133.06471	2.5
136.05194	1.7
137.05977	2.3
138.06296	0.7
140.07094	0.7
144.05667	1.1
145.02829	1.2
145.04956	1.1
145.06458	2.5
147.04442	0.9
147.08044	2.0
148.36649	0.5
151.03885	0.9
151.07542	2.9
152.04652	1.5
153.05460	1.2
159.08057	2.7
160.05168	1.3
161.05981	8.1
163.03957	0.6
163.05865	0.5
164.07074	0.6
167.07051	100.0
168.07263	0.6
173.06024	1.4
174.06854	0.7
175.07567	18.0
175.80670	0.5
177.05478	2.4
178.07721	0.6
179.07056	8.6
179.08559	1.0
180.08687	2.1
185.06061	0.6
187.07535	9.4
189.07018	0.6
191.07036	8.6
191.08589	0.9
193.08595	3.4
195.08080	0.9
199.07634	3.5
202.07745	0.8
203.08588	0.7
205.08595	5.1
206.07315	0.9
209.08112	2.3
217.08580	2.9
218.07300	0.8
219.08186	1.1
221.09615	2.0
223.09598	2.1
231.08089	1.1
233.09636	0.8
234.06767	1.5
235.07516	0.9
245.06105	0.6
248.08450	0.7
249.09189	1.9
250.10028	0.6
251.07037	0.6
259.07620	0.6
261.09164	1.1
263.06985	1.1
266.09460	1.0
274.06265	0.6
277.08630	1.7
278.09521	0.8
281.11737	4.3
289.08377	0.8
290.96060	0.7
291.10110	0.7
291.29245	0.5
293.08221	0.6
294.09015	1.4
299.12933	0.6
307.09720	1.1
308.10822	0.6
309.11218	4.9
321.11368	2.5
326.11526	1.8
339.12180	1.4
341.13855	17.9
344.12527	1.1
353.13898	7.3
359.14886	9.7
371.14920	10.7
376.53043	0.5
389.15915	1.2
406.15140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
53.04138	0.3
62.91726	0.3
65.03941	0.5
69.03420	0.3
69.89956	0.3
71.40401	0.5
76.77341	0.3
91.04967	0.4
91.05486	5.5
92.05010	0.4
93.06468	0.5
93.07044	7.3
93.87006	0.3
95.04950	1.3
98.62166	0.3
103.04865	0.4
103.05475	4.1
105.04525	0.7
117.05766	0.7
118.06549	3.0
121.06512	24.5
131.22365	0.3
134.09627	1.1
144.04459	1.8
146.06017	16.0
160.07588	0.7
162.05533	1.7
162.09138	0.7
164.07062	1.2
172.03915	0.8
176.07053	1.3
178.08647	22.7
188.07086	4.4
190.04997	1.3
190.08630	4.1
194.08142	0.3
199.99500	0.3
204.06570	0.9
206.08150	5.9
208.09706	2.8
209.10367	0.5
216.06596	3.0
220.09692	13.7
222.11264	57.3
223.11749	0.3
234.07623	4.7
248.09183	9.9
250.10576	0.3
266.10248	60.8
267.10492	0.4
269.92160	0.3
277.51526	0.3
386.15967	5.0
404.19180	1.2
448.17990	0.7
568.23907	100.0
569.24268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51527	1.6
53.03941	5.2
55.01861	2.1
55.05508	4.9
61.74729	1.7
65.93484	1.7
67.05504	13.2
69.03432	9.0
69.07072	8.2
69.64437	1.7
70.06596	3.4
71.04991	7.8
71.56466	1.9
73.02924	3.4
78.33067	2.0
79.02119	1.7
79.05496	16.6
81.03426	8.2
81.06583	2.9
81.07059	34.0
83.05001	17.8
84.08134	2.1
85.02918	6.7
85.06548	5.6
86.09735	4.5
87.04453	4.0
91.05479	24.1
93.07052	35.7
95.04992	22.2
95.08619	7.6
97.02897	9.1
97.06556	18.9
99.04471	13.1
103.05473	12.4
104.10757	5.9
105.07051	36.6
105.48773	1.6
107.04983	6.5
107.08595	20.2
109.02908	4.3
109.06528	27.3
111.04470	3.8
113.06040	3.5
117.07032	6.9
119.08600	14.0
121.06519	95.9
121.10149	18.0
123.04459	5.7
125.00023	2.6
125.05997	26.8
127.03942	5.9
127.07568	11.4
129.07010	4.2
130.07776	3.3
131.08582	15.3
133.06538	3.5
133.10175	7.3
135.04482	2.8
135.08092	7.9
135.11694	9.3
137.05995	17.6
143.07040	35.0
143.08609	7.4
144.09370	3.2
145.06474	3.9
145.10136	57.6
147.08054	6.8
147.11729	5.7
149.06084	2.1
149.09645	5.9
151.07581	4.7
152.07133	3.7
153.05516	6.1
155.07106	2.7
155.08588	3.7
157.10172	5.6
158.07355	2.3
159.08087	7.7
159.11710	25.2
161.09682	6.1
163.03990	3.2
163.07510	2.8
163.11206	28.3
164.07185	3.5
169.08823	2.0
169.10165	7.2
173.09610	22.5
177.12839	3.9
184.07426	9.8
185.09755	2.6
187.11209	49.6
189.09154	4.5
189.12726	2.2
191.10710	28.0
203.10666	4.1
205.12233	25.9
208.09685	3.0
209.11742	14.5
215.10727	24.4
220.09708	2.6
222.07666	3.3
223.13567	2.3
229.12222	2.3
233.11751	30.6
234.07529	2.3
235.09731	3.4
236.09209	3.5
248.05553	2.2
250.10629	2.4
251.12819	44.2
257.11752	2.9
262.07172	4.5
264.12344	4.3
266.10522	2.2
267.12433	6.9
269.13882	8.9
276.08810	3.9
279.01660	1.8
290.10291	22.4
302.10229	2.6
308.11295	13.9
316.08429	2.4
325.16602	5.3
341.13947	2.0
352.10339	2.7
359.14783	8.7
377.15958	34.6
386.19751	5.8
388.13657	3.8
389.19547	2.1
395.17090	26.7
404.20856	6.1
413.18082	51.5
417.28717	2.1
448.19678	4.0
472.16043	2.1
568.25488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
53.79971	3.1
55.01859	3.3
55.05519	6.8
56.18959	2.8
57.03439	6.6
57.07074	4.5
59.04996	5.3
65.03947	4.8
67.05490	11.7
69.03432	25.9
69.07050	11.0
70.06600	4.4
71.04980	18.5
71.59630	3.0
71.84706	2.7
73.02882	3.0
79.05494	16.7
81.03423	6.4
81.06583	3.3
81.07061	59.3
83.04964	2.7
83.37231	2.9
84.08133	3.0
85.02917	25.7
87.04459	15.3
90.86448	3.1
91.05482	41.5
92.05817	2.9
93.03445	3.4
93.07052	48.9
95.04968	11.1
95.08606	18.1
97.02886	31.4
97.06564	3.2
97.10159	5.4
99.04446	3.3
103.05471	30.6
105.07037	38.9
107.04962	6.9
107.08601	36.4
109.02853	4.7
109.06477	4.7
109.10157	30.4
115.03926	33.1
115.05502	6.3
116.73948	2.9
117.03373	5.1
117.07031	4.3
119.04939	8.8
119.08585	57.8
121.06509	100.0
121.10154	8.5
123.11736	14.7
125.05958	3.7
125.09639	3.5
127.03880	7.0
127.11215	24.3
128.06209	2.9
129.07011	5.2
131.04936	18.0
133.04974	33.9
133.10132	26.8
135.11696	79.5
137.05994	55.2
138.06358	4.5
143.04947	5.0
143.10686	35.7
145.02846	13.0
145.04973	7.1
145.06476	7.8
146.03223	4.8
147.04396	4.6
147.11711	20.2
149.13217	6.7
151.03893	3.3
151.07529	4.3
153.05470	7.9
153.12741	6.0
159.11668	4.3
160.05240	3.0
161.05917	3.5
161.13274	8.1
163.03920	7.7
163.07541	10.0
165.05507	3.4
167.07050	28.7
168.07356	8.4
173.05984	14.6
175.07559	25.7
177.05525	19.2
177.09142	8.6
178.05873	7.6
179.07001	3.0
181.04999	4.2
187.07533	11.6
188.07770	3.5
190.06226	4.5
191.07011	5.5
192.06551	9.2
194.08194	19.4
203.07228	3.4
203.17953	55.2
205.08572	25.4
206.04814	3.0
217.08476	16.0
220.06142	8.1
221.19025	72.5
232.08560	3.4
235.09581	20.0
236.09167	6.2
238.07135	6.0
239.20140	3.5
247.09715	5.0
259.08115	3.9
265.10699	11.9
277.09042	4.1
278.63235	2.9
280.08154	13.0
295.10117	10.9
335.22104	3.6
339.12180	4.4
340.12308	8.4
352.12433	3.5
371.14792	8.1
400.13785	11.1
448.15302	4.7
568.21869	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	569.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57467	0.1
53.03935	0.1
53.48928	0.1
54.74168	0.1
55.01883	0.1
55.05508	0.1
56.96553	0.1
61.92858	0.1
65.03934	0.3
67.01863	0.5
67.05493	0.3
68.99782	0.5
69.03421	0.4
69.07046	0.1
70.03775	0.1
70.06593	0.1
70.62496	0.3
71.04982	0.2
79.05482	0.5
81.03423	0.7
81.07053	0.2
84.08155	0.1
85.02905	0.3
89.03915	0.2
91.05470	0.5
93.07063	0.5
94.07381	0.1
95.04955	0.3
95.08600	0.4
96.08926	0.1
97.02907	0.7
97.06544	0.1
98.03201	0.1
98.21445	0.1
98.40102	0.1
99.04473	0.2
105.07006	0.2
107.04934	0.3
107.08609	1.4
108.08900	0.4
109.02876	0.8
109.06539	0.1
109.10116	0.1
110.03223	0.2
111.04427	0.1
111.08060	0.2
115.05470	0.1
117.03391	0.3
117.07064	0.2
119.04928	0.2
119.08607	0.2
120.08047	0.1
121.02872	6.2
121.06505	0.4
121.10101	0.1
122.06808	0.1
123.04424	0.1
123.08039	0.1
124.08408	0.1
125.05993	0.1
127.03912	0.8
128.04286	0.1
128.46024	0.1
129.01845	0.2
133.10120	0.1
135.04425	1.7
135.08058	3.8
136.07414	0.1
136.08401	1.7
137.02333	0.4
137.05995	0.7
137.08607	0.3
137.09612	0.1
139.03909	0.5
145.02859	0.1
145.04985	0.9
146.05315	0.3
147.04399	0.2
147.05446	0.2
147.11716	0.1
149.09639	0.2
150.10083	0.1
151.03880	0.3
151.07481	0.1
153.01837	5.0
153.09109	0.5
154.09428	0.3
157.06422	0.1
161.02332	0.5
161.05913	0.2
161.13239	0.1
163.07532	0.3
164.06963	0.6
165.05467	0.2
167.07021	0.4
171.02905	0.4
177.05504	0.2
179.03394	0.3
181.08621	0.7
182.08977	0.3
183.09117	0.1
189.12617	0.1
199.09686	0.7
200.10017	0.4
201.10162	0.2
203.03445	0.1
207.13791	0.5
208.14174	0.3
213.05403	0.2
241.04953	0.6
265.07013	1.0
269.04462	0.4
283.08069	0.5
286.04767	0.1
287.05499	100.0
288.05823	0.6
307.11826	0.1
308.12061	0.3
309.12543	0.1
325.12756	0.2
326.13315	0.2
327.13367	0.1
335.16006	0.6
343.13953	0.1
398.10837	0.2
427.16412	0.1
449.10443	0.1
494.90750	0.1
569.12305	1.2
569.20142	0.5
569.24896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34198	3.2
53.03939	13.1
55.01871	8.9
55.05518	24.2
57.03440	17.1
57.07067	5.6
57.25615	2.9
59.05012	3.8
61.02911	3.0
65.03937	6.6
67.05168	5.5
67.05507	75.3
69.03442	34.5
69.07075	18.0
69.52354	8.2
69.52780	15.2
71.01329	6.6
71.04996	65.8
73.02905	9.0
75.04481	5.4
79.05492	47.3
81.03421	47.3
81.07064	85.4
83.04988	39.0
83.08636	7.7
85.02910	100.0
85.06566	5.2
87.04467	4.0
91.05484	46.8
92.17383	3.1
93.07056	54.2
95.04977	29.8
95.08616	62.0
97.02875	31.2
97.06535	6.8
97.10185	7.7
99.04432	15.2
103.03935	7.6
103.05504	4.4
105.07046	40.3
107.04938	8.5
107.08606	41.5
109.02894	25.4
109.06499	8.3
109.10159	34.2
111.04444	30.7
111.08059	4.1
111.11717	3.4
113.06018	3.8
115.05460	4.0
117.07024	23.1
119.08590	39.2
121.06513	10.0
121.10125	33.1
123.04443	4.9
123.08107	7.1
123.11722	18.1
127.03929	30.0
128.06261	6.7
129.05524	22.6
129.07014	13.0
131.08591	34.9
133.06482	6.6
133.10161	29.4
135.04420	4.6
135.08017	3.3
135.11690	24.7
137.05945	9.1
137.09601	3.7
141.07024	4.1
143.08586	17.1
145.04903	4.0
145.06450	6.1
145.10132	27.7
147.04445	5.6
147.06531	6.0
147.08011	5.5
147.11713	20.5
149.13289	17.3
151.03905	4.0
155.08614	7.4
157.10127	18.9
159.08000	4.9
159.11720	23.8
161.09668	5.8
161.13301	15.3
161.92830	4.0
163.03893	3.1
163.11311	4.3
163.14824	6.3
165.12764	3.7
167.08470	3.9
169.10121	7.5
171.08064	6.7
171.11700	14.6
173.09647	6.5
173.13284	24.1
175.11186	5.1
175.14838	8.2
180.09317	3.8
181.10153	7.6
183.11670	11.9
185.09563	4.6
185.13254	9.5
187.14874	9.8
189.12843	4.4
195.06467	3.4
197.13324	7.7
199.14842	8.6
201.16476	4.7
203.14397	3.8
211.14825	6.0
222.20044	3.2
235.14722	3.3
237.07561	5.6
241.19572	5.8
243.21104	8.5
259.20572	7.2
261.22144	32.4
271.20648	5.0
277.21722	8.9
279.23395	5.5
281.69388	4.1
289.21619	6.1
291.23178	8.3
301.21542	5.9
303.23257	18.2
311.23636	3.7
315.23257	10.1
317.17813	13.5
317.24536	3.6
321.24286	6.7
327.23145	10.8
335.23505	4.1
341.24759	7.0
343.26486	3.6
345.24182	9.7
351.22989	7.0
353.24603	9.7
358.20401	5.6
363.25021	4.2
369.24432	16.7
371.25821	23.3
381.26239	5.7
387.25397	20.7
389.26804	8.5
405.26425	14.1
407.27676	4.9
447.27557	4.9
489.28473	3.5
497.28824	5.1
515.29883	13.2
533.31030	11.5
551.31775	7.2
569.32599	8.8
598.04712	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	569.3815
Annotation	Integracin C
Peak:m/z	Relative Intensity
55.05497	0.8
67.05511	3.2
69.07056	1.7
69.97354	1.2
69.97758	2.1
79.05486	1.8
81.07072	3.8
83.08610	1.4
88.05667	0.6
91.05500	1.0
93.07038	2.3
95.08622	3.3
96.12002	0.6
105.07018	1.0
107.08592	1.5
109.10165	1.1
112.32137	0.7
119.08583	1.2
121.10136	1.4
131.08607	0.7
133.10184	1.2
174.14767	0.6
200.58408	0.6
200.72339	0.7
235.13058	6.8
291.15601	2.4
336.82462	0.6
569.38141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60250	0.6
58.06585	1.4
69.07076	3.0
69.45872	5.4
71.62951	0.6
73.02914	1.5
73.06544	1.2
81.07015	1.0
82.66724	0.7
85.02867	0.7
91.05461	1.1
95.08628	0.6
97.02863	1.0
98.21524	1.5
104.07073	1.1
121.06470	2.2
123.27654	0.8
132.80881	0.6
137.05972	1.0
148.03989	1.2
150.05362	0.8
152.07050	1.4
164.07045	2.0
166.04962	2.2
166.08533	0.7
172.11221	3.2
177.05487	0.9
179.05736	1.4
180.06564	6.6
190.04973	2.4
190.08595	3.8
194.08119	11.1
200.10768	0.6
202.08665	0.8
216.10136	0.9
222.07651	0.8
232.13341	33.4
234.14839	0.8
254.07828	0.7
254.10071	3.8
259.11841	9.1
264.15982	7.5
270.07452	1.2
274.14169	6.8
276.08563	3.7
280.11780	2.4
292.15320	1.9
304.15189	2.9
307.09543	0.7
308.14957	3.5
314.13654	2.8
332.14392	0.8
346.16275	100.0
364.17252	1.4
368.17087	27.6
390.10236	1.1
390.15271	19.7
412.21082	3.6
434.19858	3.3
494.21381	1.5
526.24194	4.8
570.23157	48.4
571.09460	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	570.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
57.25714	0.2
61.02920	0.4
69.03413	0.5
69.25074	2.3
69.25475	0.4
70.06594	0.5
81.03439	0.3
85.02905	2.4
90.27422	0.2
90.99117	0.2
91.05482	1.4
92.37091	0.3
93.07028	0.3
94.70964	0.3
97.02895	4.3
98.17857	0.3
98.21505	0.6
103.05467	0.5
107.04957	0.6
109.02873	0.3
115.05470	0.9
117.06998	0.6
119.08537	0.3
121.02898	0.3
127.03925	0.6
128.06212	0.9
129.07010	6.3
131.04916	1.1
131.08574	6.4
133.06519	0.4
137.05972	1.7
141.07001	4.4
143.04900	0.6
143.08640	0.3
144.05679	0.8
145.02844	0.3
145.04962	0.8
145.06520	0.6
146.07257	0.4
148.05202	0.3
151.03894	0.5
151.07506	0.4
153.07005	0.3
157.06499	4.5
158.07262	2.1
159.08067	5.9
160.05180	1.1
161.06004	0.3
161.09601	0.6
162.07759	0.5
163.07573	0.7
167.07065	2.5
168.46178	0.3
169.06473	2.7
169.07654	0.4
170.07266	1.1
173.06059	0.4
173.09563	0.4
174.06776	11.1
175.07573	3.4
177.05463	1.0
180.08682	1.0
186.06775	3.0
187.07582	0.6
187.66571	0.2
188.08392	0.5
189.09120	22.3
191.07047	0.4
191.10680	1.9
193.08644	0.6
201.09120	7.9
207.10182	1.0
217.04976	0.3
219.10176	100.0
220.10524	0.6
237.11191	0.7
249.11258	0.8
355.15433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01355	0.3
56.56899	0.2
69.03431	0.6
70.06603	1.3
71.04961	0.3
71.06894	0.3
71.57829	0.5
72.65985	0.3
79.05456	0.2
81.03403	0.3
81.13026	0.3
85.02909	1.7
91.05475	1.1
93.07080	0.4
97.02885	0.7
103.05446	0.3
105.07018	0.4
107.04902	0.3
112.07585	1.0
115.05444	1.1
117.03407	0.4
117.06902	0.3
119.04921	0.3
120.68060	0.2
121.02850	0.7
122.06825	0.3
127.03908	0.3
128.06235	0.5
128.45790	0.3
129.07013	6.7
131.04884	1.2
131.08572	5.1
133.02885	0.3
133.10223	0.3
137.05991	2.7
140.07079	0.6
141.06985	4.5
143.04860	0.5
143.08514	0.4
144.05707	0.9
145.02866	1.4
145.04933	0.5
145.06505	0.8
147.04398	1.6
148.05161	0.4
149.05977	0.3
151.07587	0.6
157.06509	5.8
158.07248	2.0
159.08057	5.4
160.05197	0.8
161.06026	0.4
161.09607	0.6
163.03894	0.4
163.07515	0.7
167.07025	0.8
169.06441	2.7
170.07259	1.3
174.06776	10.3
175.07516	2.6
177.05499	4.5
179.07175	0.4
186.06770	2.8
187.07539	0.6
188.08340	0.6
189.09113	21.5
191.10629	1.6
201.05470	1.1
201.09105	8.9
207.10178	1.0
219.10167	100.0
220.10460	0.6
237.11229	0.7
243.07088	0.4
249.11218	0.3
253.07074	0.4
309.09061	1.5
309.59467	0.4
321.09641	0.3
323.08011	0.4
337.10791	0.3
355.15424	0.5
381.15356	0.4
553.09955	0.3
570.20422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	0.5
69.23732	2.7
70.06606	0.4
78.01099	0.3
79.05499	0.4
81.03420	0.7
85.02920	2.5
91.05476	1.2
97.02288	0.5
97.02892	6.7
103.05483	0.7
105.07048	0.4
107.04986	0.4
109.02875	0.4
115.05440	0.8
117.06993	0.7
121.02884	0.8
127.03929	0.5
128.06215	0.9
129.07022	6.1
130.07774	0.4
131.04912	1.5
131.08578	6.3
137.05978	2.9
141.06978	5.0
143.04932	0.4
143.08598	0.4
144.05721	0.6
145.02800	0.4
145.04887	0.5
145.06487	0.7
146.07240	0.4
151.03914	0.6
151.07599	0.3
157.06491	5.8
158.07257	1.5
159.08072	6.1
160.05167	0.8
161.05959	0.6
161.09665	0.7
162.07648	0.5
163.03972	0.4
163.07550	0.7
167.07022	2.6
169.06438	2.8
169.07602	0.4
170.07271	1.3
173.06013	0.4
174.06773	10.9
175.07562	4.1
177.05490	0.9
179.07170	0.3
180.08693	1.1
186.06770	3.1
187.07553	0.9
188.08350	0.6
189.09114	21.5
191.10687	1.6
193.08595	0.9
201.09125	8.5
207.10109	0.9
217.04956	0.7
219.10175	100.0
235.05952	0.4
237.11194	0.9
249.11295	0.5
251.98906	0.3
275.05994	0.3
355.15350	0.7
522.51654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
53.70847	0.4
77.78300	0.5
86.09722	1.1
88.82478	0.4
91.05506	2.9
93.07064	5.1
95.04955	1.6
97.02912	0.6
98.20735	1.4
98.89333	0.4
103.05470	3.0
104.10744	2.3
110.68606	0.5
121.06512	100.0
122.06868	1.0
123.04415	0.5
151.03899	1.8
156.07864	0.5
165.05481	6.1
166.05917	0.5
184.07399	2.1
225.07510	0.6
285.11096	0.6
345.13455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.2
55.05497	0.2
55.45655	0.2
57.86631	0.2
71.00896	0.5
78.47909	0.2
89.98118	0.2
91.05453	0.9
91.90252	0.2
93.07053	1.4
95.01284	0.2
95.04931	0.5
96.04485	0.2
98.39251	0.2
103.05429	0.7
106.04836	0.2
113.02356	0.3
118.06537	0.5
119.08621	0.2
120.08101	0.3
121.06519	10.7
128.17725	0.2
134.06039	0.3
138.05525	4.3
146.05930	0.2
150.05475	0.5
151.06287	0.3
164.07101	1.6
165.07924	0.3
168.06523	1.9
171.33781	0.2
174.05486	0.4
176.07056	0.6
178.08592	0.2
181.07350	0.3
182.08147	13.5
190.05026	2.8
192.06512	0.3
195.08925	0.9
204.06601	1.2
204.10165	0.3
206.08151	4.8
208.06058	1.0
208.09727	0.9
209.10443	1.0
218.04527	3.1
218.08020	0.5
220.09741	0.3
222.07643	3.7
232.05956	0.5
234.07527	0.3
235.08189	0.2
236.05597	1.6
236.09218	1.0
238.08379	0.2
248.09056	0.5
248.12894	0.8
250.07114	9.0
250.10744	8.0
250.12782	0.2
256.01532	0.2
260.09225	0.3
262.10822	0.3
264.08862	0.3
264.12228	0.4
266.10291	1.6
276.08694	0.5
278.10257	2.6
280.08215	3.8
288.12360	1.0
292.11771	1.0
294.09729	44.2
314.13846	0.3
320.11270	0.5
344.18692	0.5
346.16302	0.5
346.20172	0.5
348.18274	0.3
362.09851	0.2
372.18185	1.1
376.17575	3.7
390.19131	100.0
391.19339	0.4
400.13889	0.3
432.20438	0.3
496.16376	0.5
496.23373	6.8
510.24933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57951	0.4
56.50776	0.4
56.53199	0.4
65.98502	0.5
67.05497	0.5
70.16671	1.9
81.07085	0.6
82.08419	0.4
85.02887	0.4
91.05489	0.7
93.07030	0.8
94.68045	0.5
97.02882	0.4
105.07047	0.5
118.06538	0.9
121.06510	4.5
123.11697	0.5
138.05482	2.7
162.36572	0.4
163.03894	0.4
164.07069	1.6
168.06596	0.5
174.05525	0.5
176.07104	0.5
182.08130	7.1
184.07318	0.9
190.05034	2.4
192.06355	0.5
204.06610	1.2
206.08115	5.5
208.06039	1.7
209.10489	0.8
218.04457	2.6
218.08058	0.5
222.07628	3.2
233.37465	0.5
234.07663	0.6
236.05569	1.8
236.09247	0.8
241.63359	0.4
248.12892	0.6
250.07141	8.9
250.10770	9.0
264.12494	0.5
266.10233	1.9
276.08786	0.8
278.10233	2.0
280.08176	2.5
292.11893	0.6
294.09720	42.6
320.11435	0.5
344.18484	0.5
372.18063	1.3
376.17642	2.3
390.19122	100.0
391.19403	0.9
414.19144	0.5
496.23428	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	570.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.3
53.03934	1.1
55.05513	0.3
66.96327	0.2
69.81765	0.3
70.96622	0.3
70.96940	0.3
71.04960	0.4
77.03941	0.3
91.05486	4.4
92.05047	0.3
93.07044	6.5
95.04967	1.5
103.05470	4.9
105.04533	0.5
107.08584	0.3
113.02394	0.8
118.06561	0.5
120.04459	2.1
121.06508	27.0
136.07544	0.3
146.06035	0.8
148.07491	0.3
152.07112	3.2
158.06131	0.3
162.09152	0.8
164.07115	0.7
176.07098	0.6
178.05009	1.5
178.08627	3.0
180.06602	0.5
186.05496	0.6
188.07071	1.3
190.08652	0.6
195.08995	0.3
196.09706	3.7
202.08704	0.6
204.06581	1.4
206.08212	0.4
208.06119	1.1
208.09671	1.2
210.07573	0.3
214.05070	1.0
218.04645	0.7
218.08119	1.8
219.08873	0.7
220.09689	1.9
222.07639	5.8
222.11169	3.9
222.13316	0.3
223.12082	0.8
230.08170	0.6
232.06049	1.1
232.09712	0.8
233.06738	0.4
234.07573	1.0
234.11252	1.0
236.09204	0.3
236.12698	0.3
240.08716	1.7
242.08815	0.3
246.07698	1.6
246.11325	0.5
247.08444	2.2
248.05580	0.9
248.09204	1.8
249.09996	0.8
250.10916	0.4
255.09016	0.6
258.07629	1.4
260.05399	0.4
261.10016	0.5
262.07126	5.9
262.10721	0.8
262.14236	0.3
264.08875	1.9
264.12299	4.0
266.10147	0.3
269.10611	0.3
272.09378	0.4
274.07117	0.3
274.10748	0.7
276.08655	6.1
280.11801	0.5
288.08594	0.3
290.10233	24.0
292.08530	0.3
292.11856	0.9
299.11633	0.4
301.42090	0.3
302.10327	0.9
306.13257	0.3
308.11270	17.5
316.08191	2.0
316.11844	1.1
316.15457	0.3
318.09689	0.3
320.07809	0.4
326.17520	0.8
338.19501	0.2
344.18674	0.4
344.22330	0.3
352.10303	3.4
356.18530	0.5
358.16721	0.6
360.14542	0.8
360.21475	0.4
362.23361	0.6
370.20029	1.3
374.19620	2.3
376.14023	1.1
382.60049	0.3
388.21194	8.1
390.19397	0.3
406.22278	7.2
418.18631	0.8
428.17346	0.4
432.20239	2.0
450.21356	4.4
454.15085	0.4
456.16693	0.4
472.16110	3.8
496.19733	0.7
570.26990	100.0
571.27277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.5
53.03946	2.2
54.61355	0.4
55.01868	0.9
55.05267	0.8
55.05516	12.6
65.03938	0.4
67.05505	7.9
69.03429	0.6
69.06719	0.7
69.07069	10.0
70.26344	1.3
71.04996	2.5
73.06548	0.9
75.97429	0.3
77.03926	0.4
78.85896	0.4
79.05498	4.0
80.83433	0.4
81.07065	14.0
83.05001	0.7
83.08619	5.8
85.02908	0.6
85.06535	1.3
91.05478	7.2
93.07048	7.5
95.04969	2.2
95.08613	16.6
97.06535	1.5
97.10166	1.1
103.05466	3.8
105.04522	1.0
105.07027	2.6
107.08612	0.8
109.06519	1.0
109.10152	1.1
111.08041	0.5
111.69419	0.4
113.05994	0.5
115.07504	0.5
117.05769	0.6
118.06532	1.5
119.08580	2.7
121.06512	31.0
121.10152	0.4
123.08118	0.7
132.08128	0.8
133.10144	1.8
135.11719	0.6
137.09610	0.9
137.13254	1.1
144.04471	2.5
146.06015	4.8
161.13257	1.6
162.05539	1.8
166.39932	0.4
172.03989	1.6
176.07080	3.6
178.08635	16.1
185.22476	0.4
190.04945	2.4
204.06573	6.9
206.52103	0.5
210.11215	1.0
221.12796	0.5
222.07619	8.6
233.13747	0.4
236.09200	0.5
372.21786	0.7
374.16016	0.6
374.23218	3.5
400.21204	5.3
406.25992	0.6
408.19266	1.2
418.22272	18.3
432.23679	1.0
450.24985	0.9
538.27704	2.4
570.30670	100.0
571.30884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65801	0.5
55.05515	0.5
57.07079	5.9
58.06588	2.1
67.05533	0.4
70.06595	14.8
71.08622	2.0
71.58743	0.6
72.08161	0.7
75.38647	0.5
80.07764	0.5
85.10179	0.8
88.07635	19.5
91.05441	0.5
102.09185	14.7
105.03400	12.0
107.55723	0.4
119.52783	0.5
131.04950	0.7
142.46672	0.5
147.04498	0.5
149.02361	8.6
149.05983	53.9
175.03911	0.7
181.06519	1.5
193.04961	9.2
212.23853	0.7
219.06549	1.3
255.27832	0.5
256.26361	44.9
297.07584	13.5
301.02374	0.4
341.10205	50.4
375.67242	0.5
441.00510	0.5
570.34271	100.0
571.34369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65801	0.5
55.05515	0.5
57.07079	5.9
58.06588	2.1
67.05533	0.4
70.06595	14.8
71.08622	2.0
71.58743	0.6
72.08161	0.7
75.38647	0.5
80.07764	0.5
85.10179	0.8
88.07635	19.5
91.05441	0.5
102.09185	14.7
105.03400	12.0
107.55723	0.4
119.52783	0.5
131.04950	0.7
142.46672	0.5
147.04498	0.5
149.02361	8.6
149.05983	53.9
175.03911	0.7
181.06519	1.5
193.04961	9.2
212.23853	0.7
219.06549	1.3
255.27832	0.5
256.26361	44.9
297.07584	13.5
301.02374	0.4
341.10205	50.4
375.67242	0.5
441.00510	0.5
570.34271	100.0
571.34369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.164
Annotation	Tenuiphenone B
Peak:m/z	Relative Intensity
52.48056	0.3
70.06587	0.4
70.32160	0.4
71.57031	0.6
77.93471	0.3
78.88757	0.4
85.02904	1.0
97.02924	0.4
98.97551	0.6
117.03410	0.4
121.06496	1.5
126.80773	0.4
135.04402	0.5
147.04424	0.6
151.03865	0.6
163.03905	3.6
164.04179	0.4
184.68689	0.4
189.72014	0.3
215.08914	0.4
221.06693	0.5
233.06621	0.4
245.05086	0.4
317.74716	0.4
323.11011	7.8
347.10959	0.6
365.12070	9.9
383.11932	0.4
409.11041	18.2
409.42862	0.5
467.15579	0.7
485.16422	5.1
527.17413	27.5
553.15936	0.5
571.16364	100.0
572.16461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68303	0.5
55.05500	0.7
56.96579	0.7
58.58498	0.7
67.05508	1.3
69.07068	1.2
69.60740	2.4
69.61169	2.2
71.04984	0.7
81.07060	1.6
85.02913	0.6
91.05470	2.0
93.07018	1.1
95.08600	1.2
109.10164	0.8
115.05428	0.9
117.07027	1.4
118.06541	11.5
121.06527	4.1
121.10114	1.1
122.06908	0.7
124.38866	0.6
143.07378	1.2
144.08122	6.9
146.06015	33.0
147.04376	0.8
163.03961	1.3
167.05830	0.6
169.07524	0.8
170.06007	2.5
178.08675	1.1
182.05785	8.7
182.08147	10.7
183.10187	1.5
188.07072	24.0
210.05295	14.4
240.08575	0.7
275.06003	0.7
303.11008	1.1
307.14334	3.1
312.58011	0.8
329.12625	27.6
347.13669	77.9
369.14423	3.5
371.13693	3.3
391.12662	100.0
392.13058	0.9
396.96658	0.7
398.77386	0.7
419.23001	0.8
428.92953	0.7
509.20477	12.0
527.21411	1.4
570.30566	0.8
571.20288	17.3
571.30707	11.0
586.10748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2738
Annotation	Phe Tyr Leu Glu
Peak:m/z	Relative Intensity
54.22526	0.4
63.53306	0.3
65.00354	0.4
65.95654	0.4
68.67639	0.3
70.06598	0.7
81.07066	1.0
85.02908	0.5
85.06540	0.7
91.05470	1.7
95.04967	0.4
97.02917	2.8
98.03229	0.4
100.21645	0.5
107.05025	0.5
107.08606	0.9
119.04929	1.2
121.06531	1.2
127.03890	0.6
131.04898	0.5
135.08067	1.3
137.05988	7.3
142.08664	0.5
145.02881	0.7
145.06471	0.5
147.04425	0.7
149.09831	0.4
151.03937	0.8
151.07555	1.0
161.06030	1.4
163.03905	0.4
163.07619	0.9
167.07068	2.8
175.07584	1.1
177.05493	1.5
179.08615	0.4
181.08617	1.1
189.09138	0.5
193.08636	0.6
195.27705	0.4
219.10242	0.5
235.07553	0.7
253.08635	1.1
257.51312	0.5
259.16571	0.8
261.18286	5.1
271.09644	0.9
277.17703	0.6
289.10870	0.5
330.90884	0.4
333.07956	11.0
335.09460	6.9
349.17789	0.4
353.97281	0.4
556.64386	0.4
571.27295	100.0
572.27655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43448	0.3
54.40614	0.3
54.44862	0.3
57.97665	0.3
65.37540	0.3
71.10541	0.7
81.07059	0.8
91.05483	0.8
92.24776	0.3
93.07055	1.0
100.32156	0.3
107.08623	0.4
109.10159	0.4
111.08102	0.8
114.66042	0.3
115.05449	0.5
117.05782	0.4
117.07061	0.7
117.79189	0.3
118.06551	15.7
121.06506	0.5
123.11725	0.4
130.06555	1.1
132.08096	4.7
142.06548	1.4
143.07307	2.1
144.08093	10.4
146.06018	56.2
147.06297	0.4
151.11223	0.8
159.09186	5.8
159.96802	0.3
160.07607	0.8
169.12233	1.8
170.05991	4.1
187.13310	1.6
188.07077	100.0
205.09737	54.1
205.13832	0.5
243.47914	0.4
394.60837	0.4
449.88324	0.4
571.15900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
67.05501	1.5
69.07063	1.6
69.64322	0.9
69.64658	3.6
77.91764	0.5
79.05478	1.5
80.62187	0.5
81.03445	0.5
81.07066	1.4
86.09705	2.8
91.05471	3.9
93.03700	0.6
93.07056	5.3
94.54721	0.5
95.04964	0.7
95.08594	1.6
96.04495	0.8
97.06493	0.9
98.21314	1.5
103.05471	2.4
105.07029	1.0
106.06570	0.6
107.04876	0.7
107.08601	0.9
118.06561	0.9
119.08604	1.1
121.06510	57.1
124.03947	2.1
131.08612	0.9
132.10175	0.5
133.10233	0.5
134.06055	0.9
135.11691	0.7
138.05508	42.7
147.11667	0.7
150.05553	0.7
161.57005	0.5
163.04013	0.6
164.07083	8.2
164.29330	0.5
171.11673	0.6
182.08095	0.8
188.07050	0.6
190.05026	1.9
192.06567	0.8
204.06531	1.2
206.08128	7.8
208.06104	1.0
218.04605	0.7
220.06061	0.7
222.07555	4.2
232.06053	1.5
234.07643	1.9
236.05542	4.7
244.09622	3.4
244.45033	0.5
250.07126	42.6
269.83698	0.6
270.96802	0.5
273.18643	0.7
296.12845	1.0
300.15698	0.7
314.13898	1.8
326.60492	0.6
328.15396	0.8
329.17493	0.6
332.14951	7.5
346.16501	100.0
347.13205	0.7
347.17004	0.9
370.12961	0.7
388.17484	5.1
391.12613	1.4
391.22247	7.8
392.20663	0.9
452.20724	5.6
466.22223	3.9
497.26575	0.6
547.61945	0.6
571.23639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
58.79081	0.6
59.04965	2.3
59.05224	0.6
71.58292	0.9
82.49395	0.6
83.53759	0.6
91.05443	2.4
93.07045	0.7
121.06468	2.3
135.06715	1.2
137.05937	2.7
145.02779	0.7
148.03900	2.3
150.05504	0.7
151.06262	1.1
152.07028	2.2
158.09587	1.4
162.05397	0.7
164.07069	3.6
166.04991	2.7
169.03764	0.7
179.05728	1.6
180.06570	11.3
190.04985	4.2
194.08122	13.4
204.10315	3.3
212.09126	1.1
218.11765	18.0
220.13416	0.8
230.07964	0.7
245.10257	11.3
250.14383	2.5
254.10260	8.7
260.12637	10.3
266.10126	0.9
276.08423	8.8
276.27481	0.6
278.13702	2.6
286.79776	0.7
290.13657	5.9
294.13330	3.0
300.12000	1.5
310.16541	1.5
332.14685	100.0
333.14874	1.1
350.15744	3.2
354.15479	25.6
376.13681	42.0
392.17993	0.9
414.19162	5.4
436.17459	3.3
496.19482	2.0
528.22015	5.3
531.80737	0.7
572.20966	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60559	0.6
56.96534	0.8
65.03934	0.7
69.07033	2.5
69.07381	0.6
69.86012	2.4
70.06587	1.6
73.02884	1.2
73.06545	1.2
76.05092	0.6
81.07054	0.6
85.02866	1.7
86.09691	0.9
87.29887	0.6
91.04964	0.6
91.05484	6.5
92.05791	1.1
93.07017	0.9
97.02896	0.7
97.06547	0.6
98.20796	0.8
98.97546	1.1
103.88103	0.6
105.06986	0.7
107.04858	0.8
111.66526	0.5
119.04916	1.9
119.08592	0.7
121.06519	3.6
123.11688	0.6
124.07625	0.6
128.49387	0.7
130.06546	0.6
137.05017	1.1
137.05989	15.9
137.30228	0.6
138.05441	1.1
138.06291	1.2
142.03175	0.9
144.98073	0.6
148.03911	2.5
152.07071	1.3
164.07092	3.1
172.11234	2.4
176.07086	0.7
180.05145	1.0
180.06581	13.6
190.04979	1.4
190.08640	1.9
216.10196	3.0
217.11032	1.1
218.11774	0.6
218.99120	0.6
230.11554	4.8
232.13344	50.0
240.08640	4.3
250.14442	3.4
260.12659	6.1
262.06876	4.3
272.12488	1.0
274.10397	1.0
289.09305	0.7
290.13626	4.3
294.13388	2.0
298.46085	0.6
302.13690	1.6
313.67734	0.6
314.13641	5.6
332.14694	100.0
333.15173	0.7
351.15381	0.6
353.19516	0.7
354.15479	18.4
354.19803	1.2
376.13699	33.8
392.18411	0.9
393.16702	0.8
428.20804	1.9
450.19052	3.4
482.25067	0.9
510.20743	1.4
528.22113	2.5
543.30591	0.6
571.74805	1.1
572.21027	47.3
573.21564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
67.05495	0.9
69.07050	0.6
70.09502	0.7
70.09889	1.1
78.37426	0.3
79.05480	0.5
81.07044	0.8
91.05453	1.4
93.07047	1.7
95.04982	0.4
95.08579	0.5
96.78733	0.3
103.05482	0.6
105.06998	0.5
106.02812	0.3
107.08605	0.5
118.04151	0.4
119.08542	0.6
121.06509	10.3
131.13635	0.3
133.10031	0.5
138.05504	4.1
146.05995	0.4
151.07291	0.3
157.28862	0.3
164.07065	1.4
168.06575	1.6
178.08591	0.5
180.06525	0.4
182.08138	12.3
190.05038	2.1
204.06548	1.1
206.08133	4.8
208.06070	1.2
209.10533	0.5
218.04485	2.5
218.07950	0.5
221.13255	0.3
222.07626	3.5
236.05577	2.1
236.09256	0.4
248.12836	0.8
250.07117	9.1
250.10753	6.9
266.10223	1.8
276.08722	0.4
278.10327	2.3
280.08163	4.8
288.12308	1.2
292.11816	0.8
294.09720	48.0
334.16602	0.7
374.19644	1.3
378.19092	3.4
392.20676	100.0
393.20966	0.8
400.13657	0.6
498.24911	6.6
512.25958	0.8
572.35242	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	572.453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65058	1.4
53.03940	1.4
55.05516	7.5
59.53432	1.3
65.03937	1.5
67.05510	44.2
69.07070	7.3
70.84012	1.2
71.57811	2.7
79.05498	14.6
79.44377	1.2
81.07066	49.2
83.04970	1.6
83.08620	9.1
91.05475	12.6
93.07059	17.6
95.04964	2.0
95.08614	48.1
97.06531	4.2
97.10165	3.8
105.07037	8.2
105.74326	1.3
107.08611	11.2
109.10166	28.8
111.08066	4.1
117.07015	1.7
119.08608	7.8
121.10166	18.1
123.08048	2.5
123.11727	10.3
125.09618	1.4
131.08540	4.1
133.10146	18.8
135.11717	12.5
137.09612	5.5
137.13232	3.3
139.11113	1.4
145.10117	6.0
147.11697	3.6
149.13255	5.4
151.11218	7.9
155.10660	2.2
159.11682	5.5
165.12718	1.9
166.81194	1.4
169.12209	3.5
173.13202	2.6
181.12216	1.8
187.14877	2.2
191.17921	1.6
195.13789	2.3
215.17992	17.8
233.19003	18.9
251.20082	100.0
269.21161	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	573.1737
Annotation	Cyclorivulobirin C
Peak:m/z	Relative Intensity
52.66715	5.6
70.06606	25.6
71.58165	6.7
71.58540	7.0
76.06231	5.6
84.68845	5.7
85.30521	5.2
91.05498	5.9
97.02854	6.3
107.08592	5.8
112.07606	17.7
121.06557	9.4
130.82253	5.8
137.06020	7.0
138.06712	7.9
140.07098	13.5
145.02887	6.2
151.03885	7.9
153.23276	5.9
163.03880	5.9
166.05057	6.2
177.05476	11.9
180.06584	11.8
195.08740	11.7
250.60620	5.4
271.06058	17.9
272.06387	19.2
287.05499	59.6
393.16644	10.4
425.18845	5.8
429.12201	6.7
568.22614	6.6
573.17310	100.0
573.25555	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	573.1946
Annotation	Roritoxin C
Peak:m/z	Relative Intensity
50.69910	0.3
59.73737	0.4
66.40548	0.3
69.93565	1.4
70.06606	0.7
82.06569	0.4
84.04504	0.5
84.08121	0.4
91.05469	0.5
98.21523	0.3
99.12440	0.3
105.07007	0.4
114.79207	0.3
137.05991	0.7
156.06590	1.9
161.26358	0.4
164.62930	0.3
167.06999	0.4
185.04276	1.7
309.09564	0.6
377.13498	0.9
395.11179	0.6
410.13397	1.8
411.14194	2.1
558.75793	0.4
573.19476	100.0
574.19708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1946
Annotation	Roritoxin C
Peak:m/z	Relative Intensity
53.29956	0.3
54.61396	0.3
56.61277	0.3
70.02346	1.3
86.16181	0.3
98.20886	0.5
103.11559	0.3
122.08033	0.3
146.49760	0.3
147.04514	0.3
163.03944	0.5
178.04993	0.3
184.46465	0.3
185.04259	0.8
193.64967	0.3
206.04517	0.9
207.06532	1.0
297.25525	0.3
309.09625	0.8
365.41248	0.4
411.14172	0.5
466.94864	0.3
573.19458	100.0
574.19580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01879	2.4
55.05492	0.6
55.43958	0.3
56.96556	0.5
58.92031	0.3
65.03927	0.5
67.05473	0.6
69.03415	0.5
69.07072	11.3
70.06564	0.8
71.58564	0.4
72.84715	0.3
74.02430	1.0
76.03604	0.5
76.04008	7.6
79.05495	0.7
81.03406	0.5
81.07045	1.6
83.04974	0.4
83.08604	0.6
84.04513	2.2
84.08159	0.5
85.02896	0.6
86.09699	0.7
91.05483	2.8
93.07035	2.2
95.08621	0.7
97.02880	0.7
97.06533	3.6
98.97575	0.6
103.05476	1.9
105.07034	0.6
107.08550	0.4
112.03967	0.6
119.04947	0.9
119.08566	0.4
119.61826	0.4
120.04499	0.7
121.06504	10.3
121.10115	0.4
126.09125	1.5
130.05032	0.9
130.08603	0.5
132.10161	0.4
135.08119	0.3
137.05986	2.9
138.06326	0.5
148.03894	1.0
151.06317	0.9
152.07056	2.3
164.07112	4.0
166.05011	4.3
167.90269	0.3
172.09749	0.9
178.08647	0.9
180.06564	63.7
181.06885	0.6
183.17554	0.3
187.07648	0.5
194.08115	0.8
206.08057	0.6
208.06078	1.3
220.06082	0.8
222.07628	16.9
232.13290	1.4
233.13702	1.3
250.39941	0.3
291.13629	0.4
303.99307	0.4
305.14969	2.6
323.18515	0.8
328.11893	0.4
332.14691	2.5
333.14996	3.6
335.10312	0.8
335.16147	0.5
337.14108	1.9
347.16104	1.0
351.15546	25.7
355.15894	1.3
367.18860	0.4
376.13889	0.6
377.13953	1.0
377.20883	4.0
379.14914	2.2
393.16583	100.0
394.16858	0.9
457.19452	0.6
475.24234	0.4
499.20728	9.7
513.22083	0.5
520.25867	0.4
529.23322	0.4
573.21942	2.3
573.31769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03070	0.3
55.01871	1.9
55.05503	0.5
64.04536	0.3
69.03429	0.8
69.07073	11.3
69.34331	3.5
70.06583	1.1
70.07387	0.4
74.02434	0.9
76.04011	9.0
79.05492	0.7
81.07048	1.5
84.04523	2.1
86.09693	1.5
91.05472	3.1
93.07049	2.8
95.04948	0.8
95.08591	0.5
95.87599	0.4
97.06542	3.3
98.08696	0.4
98.09701	0.5
98.97581	0.4
103.05464	1.6
105.07054	0.4
112.03944	1.2
112.04642	0.4
119.04958	1.0
119.08556	0.4
120.04498	0.4
121.06511	11.2
126.09173	1.9
130.04977	1.1
130.08609	0.6
133.06564	0.4
137.05986	3.6
148.03928	0.8
149.05914	0.5
151.06332	0.9
152.07071	1.6
164.07097	4.2
166.04971	3.9
172.09764	0.8
172.11354	0.4
177.05475	0.5
178.08701	0.6
180.06566	67.8
181.44806	0.4
194.08163	0.6
195.17267	0.4
208.06024	1.0
220.06013	0.6
222.07623	16.1
232.13316	0.9
233.13719	1.2
265.89938	0.4
268.70105	0.4
273.18466	0.8
305.14908	2.6
321.62079	0.4
328.11627	0.5
332.14511	2.0
333.14969	3.5
335.10223	0.5
337.14078	1.8
346.15543	0.5
347.15848	1.2
351.15521	27.1
355.15741	1.2
376.13904	0.6
377.13916	1.0
377.20691	4.2
379.15054	2.6
393.16577	100.0
394.16849	0.8
395.12317	0.5
475.24377	0.5
499.20758	9.9
573.21283	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.8
57.07074	2.1
64.59221	0.4
65.89582	0.4
69.07077	0.5
70.02941	1.3
70.06580	1.0
71.57900	0.4
72.08155	1.0
79.05502	0.5
83.04987	2.6
83.08607	0.4
88.03998	12.4
90.05051	0.7
90.05560	9.0
91.05475	1.7
93.07061	2.0
95.04941	0.6
98.09687	0.7
103.05475	1.0
107.08586	0.5
119.04961	0.6
120.04479	0.5
121.06512	9.8
126.09190	0.6
137.05977	2.5
144.10182	0.6
148.03920	1.3
151.06248	0.9
152.07126	2.0
164.07065	2.3
166.05016	3.8
178.08678	0.5
180.06564	65.9
190.05025	0.8
194.08131	0.6
208.06032	1.7
222.07631	20.7
305.14999	1.1
328.11761	0.7
337.14020	1.1
347.15927	1.2
351.15521	14.7
379.15027	1.6
393.16568	100.0
394.16925	0.9
499.20767	9.4
501.81787	0.5
531.23236	1.1
542.40277	0.4
548.17273	0.4
573.24213	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36388	0.3
54.94903	0.4
55.05520	3.1
57.07082	2.7
57.96775	0.3
67.05486	0.6
69.07044	1.2
70.02965	1.1
70.06581	1.0
71.58398	0.5
71.58848	0.4
76.39030	0.3
81.07055	0.7
83.04994	3.1
86.09698	0.7
88.03995	13.1
90.05559	9.2
90.06122	0.5
91.05471	2.4
93.07048	2.4
95.04995	0.7
95.08614	0.7
97.02892	0.7
103.05463	1.4
105.07014	0.6
121.05215	0.5
121.06509	11.1
126.09144	0.7
133.10184	0.5
136.07610	0.4
137.05948	2.2
138.05499	0.5
145.02841	0.6
147.04420	0.4
148.03975	0.9
151.06299	1.0
152.07047	1.9
163.03961	0.4
164.07056	1.7
166.05009	3.2
172.09700	0.6
177.05449	0.8
178.08591	0.8
180.06561	65.0
190.04958	0.8
194.08116	0.6
205.12605	0.4
206.04604	0.4
207.71881	0.4
208.06091	1.8
222.07617	19.5
238.10780	0.4
273.11139	0.4
286.10617	0.6
305.14935	1.5
328.11810	0.7
335.10416	0.7
335.53397	0.4
337.13852	0.9
347.16022	1.1
351.15524	15.0
358.09274	0.4
377.20523	1.1
379.15182	1.9
393.16565	100.0
394.16788	0.5
443.50366	0.4
475.24417	0.7
499.20761	10.4
531.23596	0.5
537.44147	0.4
572.09222	0.4
573.24939	1.9
573.32159	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06693	0.1
60.55672	0.1
65.03943	1.1
67.05489	0.2
69.03432	0.3
69.32815	1.3
72.04244	0.2
79.05506	0.4
81.03399	0.2
81.07043	0.7
85.02912	0.6
91.05489	17.4
93.03409	0.3
94.04169	0.2
95.04929	0.2
97.02910	0.3
98.21534	0.3
107.05016	0.2
109.06529	1.1
111.04448	0.3
119.04952	11.3
121.02868	1.2
123.00777	0.2
135.04419	0.4
137.05989	100.0
138.06281	0.2
139.03880	0.4
145.02888	0.2
147.04474	0.2
149.02351	2.3
153.05492	1.4
163.03870	0.2
165.05452	0.3
167.03404	1.8
177.05373	0.2
181.04961	7.0
182.05377	0.2
191.03426	0.6
205.05031	0.2
223.06133	1.2
227.26106	0.2
241.07167	0.7
303.08698	0.6
327.08795	0.3
334.97562	0.2
345.09689	0.6
377.12292	0.5
426.31772	0.2
574.20282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09185	0.9
53.21541	0.9
53.21834	0.8
54.16372	0.9
65.03948	5.7
67.05499	2.8
67.41005	1.0
69.03415	1.1
69.07098	1.4
69.28183	9.5
70.06589	2.2
81.03391	1.1
85.02884	1.5
85.06541	1.7
89.03926	3.0
91.05495	1.6
93.03418	7.3
93.07033	1.2
97.02899	100.0
98.20763	1.4
101.07757	1.0
107.08602	1.6
114.01227	0.9
117.03387	13.0
117.18633	1.2
121.02872	3.3
121.06481	2.0
125.05982	1.0
129.07040	7.4
137.06033	2.8
141.06950	2.1
145.02859	42.9
147.04428	1.6
149.02339	8.7
149.05989	4.8
151.03914	3.1
151.07576	1.1
157.06494	7.8
163.03888	1.1
163.07515	2.0
167.03413	54.0
167.04720	2.1
169.06480	1.4
177.05486	91.7
180.06540	1.3
181.08644	1.4
185.06046	1.7
186.05548	1.2
188.08263	1.4
189.05457	1.7
189.09137	9.2
197.08093	1.2
199.07649	5.0
207.06537	3.6
213.09286	1.0
215.07056	1.3
217.08597	6.3
227.07004	5.3
245.08073	11.9
247.55640	1.1
273.07559	2.8
291.08655	42.9
309.09634	8.5
326.55450	1.1
339.10794	1.5
340.98480	1.1
346.83899	1.0
395.14600	1.1
445.54456	1.0
574.29260	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	574.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.05521	9.6
57.01376	1.2
57.03452	5.9
57.07080	30.8
58.31634	0.8
61.11868	0.8
65.03941	1.2
67.05510	40.9
69.07070	7.1
69.34818	6.5
70.14695	0.9
71.04998	18.4
71.08283	1.4
71.08642	22.6
74.09991	1.0
79.05505	10.5
81.07063	67.7
83.05002	1.9
83.08627	12.7
85.06541	5.3
85.10189	10.6
87.04474	9.2
91.05489	13.3
93.07059	11.2
95.08614	20.6
97.06523	1.9
97.10193	5.0
97.66454	1.0
98.20907	2.6
105.07050	6.5
106.38029	1.0
107.08621	5.7
109.06520	1.6
109.10174	10.2
111.08070	1.3
117.07006	2.2
119.08572	1.4
121.10152	3.2
123.11725	13.2
126.52312	1.1
131.08534	2.4
133.10149	10.6
135.11726	2.2
137.13312	1.1
149.13252	3.4
151.11198	5.8
159.11684	3.8
183.13779	3.2
187.13318	5.1
195.13837	1.2
239.23656	1.9
257.17462	1.2
269.17380	5.7
283.26358	2.2
301.20093	21.2
313.27393	28.3
328.79102	1.2
481.38925	100.0
482.39023	1.6
495.40540	4.6
507.40341	4.4
539.43109	51.8
540.42908	1.3
574.39355	1.1
574.48779	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73086	0.4
56.05036	0.5
66.10065	0.4
67.05498	1.1
69.03426	0.4
69.07074	1.7
70.06589	0.9
71.04984	0.5
74.06082	1.2
81.03448	0.6
81.07064	1.9
83.01115	1.3
83.04982	0.8
84.08121	0.7
85.02931	0.9
85.06557	0.5
85.88386	0.3
89.03878	0.4
91.05482	2.0
91.78133	0.4
93.07044	1.3
95.01083	2.8
95.08612	1.1
95.94703	0.4
96.01878	0.7
97.02887	0.8
97.06536	0.5
98.21463	0.8
98.97592	0.6
102.05548	0.7
103.05476	0.5
105.07060	1.3
107.08607	1.2
109.10164	0.6
110.06057	0.4
111.08163	0.4
112.01363	0.9
113.02130	2.3
117.03332	0.4
119.04932	0.8
119.08589	0.8
120.06625	0.6
121.06553	1.9
121.10166	0.7
123.11713	0.6
127.03856	0.4
129.07051	0.5
131.04900	0.7
131.08549	0.4
133.06538	0.8
133.10147	0.5
135.08076	0.6
137.05994	4.2
139.03760	0.6
145.02885	1.6
145.06496	0.4
145.10175	0.7
147.04396	0.6
151.04002	0.5
157.04718	1.0
159.11696	0.5
161.06036	1.1
161.13298	0.4
163.03957	1.4
164.07077	4.0
164.08261	0.5
165.05446	0.8
167.03232	0.9
167.07089	0.5
171.59721	0.4
175.03900	0.5
175.07619	0.6
176.04474	0.8
177.05473	2.5
180.06583	1.5
185.04245	5.3
185.05763	0.9
187.07506	0.5
189.16484	0.4
191.07085	0.5
201.03662	0.9
201.05302	1.9
203.05328	1.3
203.07008	0.6
203.10838	0.4
216.07581	12.9
217.08449	0.8
219.01776	0.7
219.06265	0.4
221.07854	0.6
237.02780	0.6
257.10382	0.7
271.06168	0.9
279.03934	0.7
287.05527	0.5
334.10614	0.6
335.10883	0.8
337.13852	0.5
351.10440	0.9
359.12485	0.6
365.12289	1.6
379.15121	0.7
379.18799	7.3
381.11621	1.5
501.22696	0.8
575.21039	100.0
576.21283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85899	0.9
53.03945	2.4
55.01850	1.6
59.42433	0.9
67.05489	1.2
69.03401	2.1
69.39874	1.0
69.80530	5.1
70.06582	1.6
71.95460	1.0
78.04697	2.8
79.05489	10.7
81.07080	1.6
85.02904	4.3
87.20499	1.1
91.05473	3.7
95.04977	2.0
97.02860	2.2
103.05469	9.5
105.07034	7.2
106.04150	2.2
107.04961	22.8
107.08581	1.3
113.33346	1.1
115.05469	3.3
117.03371	1.4
117.07047	1.6
118.04177	5.2
119.04950	3.3
121.06493	2.9
121.86346	1.0
122.03632	1.1
123.04429	5.4
124.05199	4.7
125.05937	2.4
128.06239	3.3
129.07024	2.6
130.04123	2.9
131.04930	12.2
132.05696	1.8
133.06500	5.1
135.04436	1.4
137.05991	4.4
139.05365	1.2
139.07594	1.1
141.07018	1.6
145.02852	2.4
146.03596	1.5
147.04399	4.2
148.05151	2.4
151.03963	2.4
152.04697	2.1
156.05667	2.1
159.08022	2.9
161.05960	7.0
163.03932	7.8
163.07526	1.7
163.77820	1.1
165.05447	1.9
166.05858	1.1
167.07051	100.0
168.05681	1.4
171.08043	3.6
173.06009	2.3
175.03894	1.3
175.07558	2.8
176.04724	5.9
177.05487	4.2
179.07123	1.4
184.05251	5.9
185.05991	1.4
187.07559	7.4
189.07028	2.8
189.09135	1.3
190.07742	6.9
191.07037	60.1
192.07834	1.3
193.08475	1.1
199.07561	33.5
202.07777	3.9
203.08559	5.6
204.09285	1.8
205.10143	2.6
207.06448	2.0
207.08203	2.0
215.08592	10.3
218.07281	13.3
219.08046	4.5
220.63974	1.4
229.06587	3.4
230.07446	1.3
231.08025	5.4
232.08833	5.0
233.09625	22.8
233.11986	1.2
234.10429	2.0
235.07578	6.6
243.08131	5.0
246.06787	8.7
247.07516	4.5
248.08276	1.9
249.09174	4.0
250.10020	2.9
251.10695	1.1
257.05951	3.4
258.06744	1.8
259.07608	4.6
260.08386	8.2
261.09119	29.3
262.09897	3.5
263.07019	7.8
265.12357	1.8
271.07498	1.5
273.05612	1.8
273.09125	3.8
274.06219	8.4
275.06967	4.8
275.10367	2.1
277.08563	5.1
278.09406	11.1
288.07782	2.7
289.08609	46.4
290.09387	11.3
291.06616	2.5
291.10138	3.7
292.10876	1.5
293.11722	11.5
297.88818	1.0
303.10175	2.7
305.08209	1.9
306.08905	9.9
307.09656	5.5
321.11230	99.7
322.11957	7.7
323.09210	1.9
325.14340	3.5
338.11511	1.7
353.13855	65.1
575.28699	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	576.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03939	1.5
55.01894	0.4
58.73955	0.3
65.03951	0.6
70.17442	0.9
70.17832	0.9
72.73987	0.4
75.24732	0.4
79.05492	0.5
91.05489	7.5
91.06020	0.8
93.07048	13.8
95.04958	2.1
95.08637	0.4
103.05477	9.3
105.04544	0.9
106.72652	0.5
121.06512	100.0
135.06781	0.5
143.04691	41.0
150.05502	0.4
153.45091	0.4
164.07104	0.8
166.05054	1.0
179.05774	0.6
180.06583	5.8
184.07329	0.9
190.04961	2.7
194.08145	9.2
208.06026	0.6
218.07762	0.4
222.07828	0.4
254.10249	29.6
276.08432	10.0
290.09741	0.6
314.13931	5.1
342.13385	0.5
374.16013	35.2
396.14200	25.3
396.19583	0.6
405.13342	0.5
544.19275	3.3
576.22058	46.8
577.22546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.7
57.03447	13.6
57.07079	28.7
61.09368	1.7
67.05228	2.0
67.05513	19.4
69.07062	7.3
71.04993	2.0
71.08638	27.0
79.05505	8.8
80.67391	1.8
81.03423	60.5
81.07057	17.4
83.04988	4.7
83.08624	21.1
85.10182	11.3
87.04464	2.6
87.12858	1.6
91.05492	12.3
93.07049	6.5
95.04987	18.7
95.08613	18.2
97.06509	2.5
97.10158	5.4
97.87801	1.8
99.11656	2.2
105.07014	7.1
107.04926	2.8
107.08595	2.7
109.06496	3.0
109.10172	9.6
111.08073	4.9
119.08595	9.2
121.06484	1.8
121.10138	5.3
123.11661	1.8
129.06999	7.6
131.08577	4.9
133.06476	2.7
133.10115	3.4
137.09679	2.4
147.11691	3.9
149.09723	2.6
151.95552	1.7
155.51927	1.6
157.10101	5.3
175.11191	6.5
193.12268	19.7
252.42836	2.0
267.13043	3.5
267.15936	97.2
313.27390	100.0
390.31772	1.8
505.38895	82.8
568.07880	2.5
576.41077	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55735	0.3
62.55021	0.3
63.85219	0.3
80.55033	0.3
94.92988	0.7
112.89600	0.6
114.89327	0.6
136.94049	3.4
147.26001	0.3
148.94037	0.4
166.95157	0.3
175.34999	0.3
206.88635	0.3
232.92326	0.5
234.92110	0.6
248.89708	0.8
268.98398	0.8
270.98172	0.5
419.03818	1.0
439.97644	0.3
539.86255	0.3
546.95514	0.3
577.09369	100.0
578.09540	0.6
582.42566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	7.3
57.03429	4.7
61.02919	3.3
69.03438	9.6
70.06573	2.7
71.04996	6.9
71.57232	1.6
71.57640	2.2
73.02920	3.7
74.17878	1.5
75.97218	1.4
81.03393	2.4
83.04984	1.9
84.96057	1.8
85.02911	28.9
85.06519	1.9
86.03239	1.7
89.03924	3.7
91.05483	3.4
97.02895	10.7
98.97591	34.3
99.04429	3.0
101.00900	9.2
109.02903	2.1
110.97556	3.1
116.98644	13.2
117.03350	3.1
119.01942	12.2
119.04964	3.2
121.02837	2.6
121.06478	1.8
127.03912	5.4
128.98682	2.0
129.05467	2.1
131.00157	2.9
131.04906	1.9
133.03560	2.2
133.06483	2.0
134.99704	2.2
135.04446	2.9
137.05988	13.2
139.02460	1.9
143.00197	5.5
143.01941	7.2
145.01782	2.0
145.02832	5.6
145.04996	5.8
147.03424	1.8
147.04396	11.9
149.01277	3.6
155.01932	2.2
157.03479	13.7
158.99698	6.0
161.01262	5.0
161.02972	5.5
163.03896	29.5
164.04286	2.6
167.07085	4.9
169.03436	2.5
170.99767	2.0
173.02942	2.9
175.04492	7.5
177.00769	2.6
177.05518	5.5
179.02249	7.2
179.07042	1.7
185.01227	2.3
185.03050	2.0
191.02213	2.6
197.03249	2.8
201.00845	2.4
205.03845	2.7
205.05621	9.1
219.01631	3.5
221.03244	8.6
223.06642	23.3
225.06148	2.7
237.02856	4.3
239.04402	20.9
241.04080	1.8
241.07643	3.6
245.05034	5.0
257.05466	3.9
265.07797	21.8
275.06201	3.2
277.07706	5.1
281.05353	2.2
283.05753	1.9
291.09464	4.5
293.07285	3.5
295.08865	1.9
307.06461	2.7
325.06924	2.6
337.06900	2.8
347.08633	2.0
351.09222	2.5
367.11209	7.8
379.07648	3.3
385.08514	6.4
395.10156	3.5
397.07785	2.7
397.12231	3.3
401.11957	1.6
409.09326	2.4
413.05948	12.9
427.09808	1.9
433.11649	2.0
457.11044	3.9
467.14291	7.7
541.12622	2.0
559.11182	3.0
577.16589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35966	0.3
69.57363	0.6
69.57766	1.5
79.93139	0.3
91.05490	11.6
92.05002	0.5
92.57697	0.3
93.71139	0.4
103.05457	0.6
109.06496	0.5
115.05470	3.2
116.04984	0.5
117.05753	1.6
117.07008	3.0
118.06552	51.7
119.04956	5.4
120.04503	0.4
132.08138	0.8
137.05991	14.4
142.06528	4.4
143.07320	4.4
144.04466	5.1
144.08098	23.9
145.06548	0.4
146.06020	100.0
147.06413	0.5
155.06026	0.9
160.07587	1.1
162.05507	2.7
164.07062	0.4
170.06021	6.4
172.03902	1.7
176.07080	8.5
178.08646	35.0
188.07082	55.0
189.07466	0.4
190.04962	2.1
194.08139	0.5
204.06599	9.3
210.11299	0.8
218.08119	0.7
222.07625	41.4
236.09221	3.1
249.90492	0.4
262.07013	0.6
266.80630	0.4
280.08276	1.2
358.12949	1.1
390.15494	67.6
391.15714	0.5
409.13907	4.8
448.15915	1.8
463.28592	0.4
545.19226	1.4
577.21844	45.2
578.21423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.26027	0.6
56.96259	0.6
58.40589	0.6
59.43264	0.6
64.91500	0.6
65.03928	0.8
71.38491	0.6
71.57497	1.2
74.42017	0.6
80.05053	0.7
84.08146	0.8
85.02908	1.2
88.65363	0.7
89.04009	1.0
91.05486	7.3
93.07051	6.1
95.04962	1.2
98.97615	1.5
103.05493	4.6
104.05013	1.1
105.04494	0.9
106.06579	1.1
114.10313	1.4
115.05444	3.5
117.05834	1.0
117.07039	4.0
118.06554	54.1
121.06514	41.6
122.06823	1.0
132.04439	0.8
132.08086	0.8
134.06024	2.2
142.06525	4.4
143.07321	3.7
144.04431	2.7
144.08102	23.8
146.06023	100.0
147.04396	0.7
160.03966	5.8
160.07593	1.7
162.05521	6.4
163.03905	0.6
164.07086	1.4
166.08676	1.3
170.06018	7.4
176.07060	2.2
178.04939	4.3
180.06451	1.1
188.07082	63.1
192.06566	16.0
194.08145	25.9
206.04391	0.8
210.07645	1.6
219.01852	0.7
220.06059	3.7
226.10815	2.2
238.07108	27.7
241.86189	0.6
252.08795	2.8
270.09772	1.6
296.07739	1.7
390.15497	72.8
425.13287	3.3
448.16132	2.8
577.21832	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12408	0.2
51.84804	0.1
53.03939	0.2
55.02998	1.6
55.05509	0.5
56.90737	0.2
69.44572	1.2
70.06596	9.8
71.04988	0.3
72.05639	0.3
72.08160	20.1
73.02898	0.1
74.09732	0.3
81.07040	0.2
84.08155	0.3
85.02921	0.4
85.06524	0.3
85.51590	0.2
86.09707	0.2
90.02031	0.1
91.05500	1.2
93.07029	0.5
97.02889	0.6
97.07661	12.4
99.77482	0.2
103.05470	0.4
112.08744	1.8
114.10298	100.0
117.03448	0.2
119.04926	0.4
120.08105	0.1
121.06509	2.3
121.10171	0.2
127.03909	0.3
135.04404	0.4
137.05983	2.2
138.06334	0.5
145.02872	0.5
146.96271	0.2
151.03951	0.2
158.09254	0.3
163.03914	1.3
165.05472	0.2
167.07101	0.3
177.05501	0.3
180.06567	0.2
181.04919	0.2
194.08151	0.8
201.05566	0.2
213.07562	0.2
216.10233	0.5
234.07576	0.2
247.83224	0.2
253.55965	0.2
255.88107	0.2
280.08035	0.2
291.24524	0.2
294.09775	0.2
335.17136	2.0
351.12088	0.3
353.13889	0.3
353.18130	4.0
381.12918	0.3
397.12729	0.2
415.10120	0.2
439.13681	0.3
443.11023	0.2
577.20575	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	577.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.94117	0.5
60.35659	0.4
65.76366	0.4
67.05512	0.5
69.07071	0.6
76.89478	0.5
79.05482	0.5
81.07044	0.9
83.08625	0.4
91.05492	1.4
93.07084	0.7
95.08618	1.2
105.07037	1.0
109.10193	0.6
115.49969	0.4
121.06488	0.8
121.10134	0.5
155.06306	0.5
207.64211	0.4
291.19284	1.6
309.20361	7.0
353.25388	0.6
462.14438	0.4
577.40790	100.0
578.41278	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61308	0.5
57.03439	1.7
65.03950	3.2
66.01933	0.5
69.03402	0.5
70.06613	0.8
71.58629	0.7
79.05479	0.9
81.07079	0.8
84.08138	0.9
85.02911	31.4
90.91128	0.5
91.05491	30.2
97.02893	6.2
103.03954	0.9
104.05003	0.7
106.06521	0.6
107.04979	0.6
107.07372	0.5
109.06481	1.3
113.02372	1.1
117.03395	0.6
117.05596	0.6
119.04953	13.3
121.06474	0.8
121.08910	1.3
131.03416	2.0
132.04474	1.4
132.90623	0.5
133.05313	0.5
134.06044	2.0
137.05989	29.0
144.04472	2.1
145.02856	2.4
147.04387	0.7
149.02246	0.6
150.05513	0.9
160.03955	9.8
160.05196	0.8
162.05527	6.9
163.03949	1.7
164.07086	1.1
166.08539	0.5
167.03433	4.5
167.07176	0.6
169.66991	0.5
176.07114	2.9
177.05490	4.9
178.05017	7.3
180.06604	1.5
188.03453	1.5
192.06569	18.0
193.07018	0.5
194.08145	30.2
202.05016	0.8
204.06671	0.6
206.04529	2.1
208.09749	1.4
217.08693	0.6
220.06075	7.3
236.09247	3.9
238.07123	4.8
245.08148	0.6
252.08742	1.8
268.11850	1.0
271.06061	1.3
280.08255	4.0
290.06934	0.5
291.08646	2.2
306.09857	0.7
308.07706	3.4
309.09781	1.1
314.79065	0.5
322.09268	11.4
324.10818	11.0
324.46295	0.5
336.07455	0.7
350.08664	4.2
366.11963	3.7
368.09760	6.3
382.11465	1.3
398.14523	0.8
410.10837	23.8
424.12277	3.8
442.13559	1.0
448.16238	0.7
546.15887	1.2
578.18726	100.0
579.18677	1.5
597.36932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.4
53.03948	13.8
55.01868	7.7
55.05255	2.5
55.05511	28.3
57.03422	8.1
57.07064	3.4
65.03934	5.4
67.05506	100.0
67.35575	2.1
69.03430	47.9
69.03801	2.8
69.07077	28.0
69.90221	3.0
69.90537	11.3
71.01336	2.2
71.04977	9.7
71.08625	2.4
73.02901	2.4
77.03930	2.6
79.05496	86.9
81.03421	67.7
81.03906	2.8
81.07060	91.2
83.04975	13.5
83.08636	14.7
83.47039	1.8
85.02908	36.1
85.06529	5.6
87.04478	2.5
91.05482	61.8
93.07049	95.0
95.04983	15.6
95.08607	83.0
96.46226	1.6
97.02900	30.3
97.06525	8.0
97.10159	7.3
99.04452	8.4
99.08126	4.0
103.03922	4.9
103.05463	8.5
105.04472	2.5
105.07035	54.2
107.04938	9.0
107.08600	47.6
108.04464	4.1
109.02886	17.0
109.06551	9.4
109.10156	33.8
111.04452	13.3
111.08067	4.7
115.03917	3.0
115.05493	3.5
117.07019	31.3
119.08584	49.4
121.06506	56.3
121.10152	40.3
123.04404	2.9
123.08049	6.1
123.11694	14.3
125.09582	3.6
127.03923	18.7
128.06245	3.8
129.05464	6.0
129.06999	16.0
129.72971	1.8
130.07809	2.3
131.08578	41.8
133.06499	7.2
133.10127	33.0
135.08041	6.2
135.11703	29.7
137.09631	6.6
137.13237	3.2
139.11174	3.7
141.06981	6.8
142.07759	2.6
143.08560	17.1
145.05022	4.6
145.06433	5.5
145.10126	36.2
147.04367	2.1
147.08058	6.1
147.11696	24.6
149.05952	2.1
149.09622	5.7
149.13283	16.9
151.07516	2.8
151.11101	2.5
155.08528	10.1
157.06418	2.7
157.10118	12.1
159.08061	5.2
159.11685	29.6
161.09604	4.2
161.13271	17.7
163.11212	4.0
163.14809	6.5
167.08542	4.5
169.10107	10.2
171.08072	5.4
171.11728	16.7
173.09622	2.6
173.13307	20.7
175.07463	2.6
175.11176	6.6
175.14810	4.9
177.12733	2.6
178.07831	2.1
179.08556	2.1
181.10135	4.2
183.08104	2.2
183.11716	8.0
185.09584	4.4
185.13316	10.2
187.11168	5.9
187.14787	9.7
189.12807	4.5
195.11725	5.1
197.09515	2.8
197.13263	7.9
199.11224	3.6
199.14795	6.7
201.12875	3.1
201.16397	3.1
209.13243	5.0
211.11153	3.5
211.14833	5.9
213.12788	3.9
213.16360	2.6
215.14388	3.2
219.13963	2.7
221.13371	2.3
223.14973	3.1
223.16974	2.3
225.12747	2.7
227.14279	3.3
227.28278	2.0
241.19542	2.7
243.21022	7.2
247.17070	2.7
249.14862	2.9
259.16898	3.2
259.20572	8.3
261.22134	21.2
271.20575	4.4
273.22165	5.8
275.23718	3.3
277.14316	5.8
277.21524	11.6
279.23257	2.8
285.22092	6.0
289.21634	7.6
291.23282	5.7
295.15512	2.7
297.22180	3.3
301.21585	5.9
303.23239	17.7
309.22107	3.2
311.19913	2.4
313.21518	3.9
315.23282	7.5
317.17621	2.3
317.24579	2.9
319.22659	5.3
323.23657	3.0
327.23151	8.9
341.24863	9.5
345.24097	5.9
351.23135	11.8
359.25766	4.9
369.24274	36.4
387.25308	37.5
405.26379	33.0
423.27539	12.5
424.27353	2.0
560.36017	2.7
578.40808	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	578.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01876	1.8
55.05518	11.8
56.39310	0.9
57.03447	9.8
57.07066	1.2
65.03944	1.5
67.05510	33.4
69.03432	1.8
69.07076	9.8
71.05003	2.0
71.12295	2.5
79.05057	1.8
79.05494	27.1
81.03406	1.4
81.07058	33.0
83.04987	3.2
83.08619	5.7
91.05485	13.0
93.06465	2.3
93.07050	36.6
95.04983	5.4
95.08612	39.3
97.02897	2.0
97.06537	3.2
97.10164	1.4
97.87596	1.1
99.04457	2.5
105.07044	9.5
107.04942	4.4
107.08601	22.8
109.06535	1.2
109.10149	7.9
117.07013	4.6
119.08564	7.5
121.06512	3.4
121.10143	13.3
123.08050	1.0
123.11708	3.4
125.05986	1.3
130.07788	1.0
131.08553	3.8
133.10135	4.5
133.90970	1.2
135.08133	1.5
135.11702	26.8
145.10118	17.6
145.57019	1.0
147.11711	3.2
149.13263	2.2
159.11671	2.1
161.13245	1.4
163.11188	30.4
167.46228	1.2
173.13310	1.3
181.12224	6.1
184.07318	1.6
227.12793	48.4
228.30946	1.0
261.22125	5.3
283.15405	36.2
317.24557	1.3
323.15756	1.0
335.25806	100.0
369.89929	1.2
392.16971	1.3
543.36865	54.4
578.39526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1503
Annotation	Apigenin 7-(6''-E-p-coumaroylgalactoside)
Peak:m/z	Relative Intensity
53.03942	0.2
65.03954	0.2
67.01861	0.5
68.99813	0.5
69.03417	0.2
69.30495	0.5
69.30931	0.6
70.06593	0.1
79.05490	0.1
81.03428	0.9
85.02898	0.3
91.05489	2.0
97.02916	0.3
98.21498	0.3
105.07006	0.2
107.04987	0.2
109.02882	0.5
119.04948	5.8
121.02858	0.8
121.06528	0.2
129.01866	0.2
131.04837	0.1
133.87723	0.1
137.05988	0.4
145.02870	1.3
147.04417	25.2
148.09999	0.1
153.01834	5.4
160.26938	0.1
163.03912	0.4
165.05476	0.6
167.07030	0.7
171.02950	0.6
173.06026	0.1
177.05478	0.2
180.06563	0.2
181.08696	0.1
187.94968	0.1
193.08484	0.1
203.07098	0.3
209.07988	0.2
225.05380	0.6
229.05017	0.4
232.59909	0.1
243.06467	0.2
247.05989	0.2
271.06018	100.0
272.06396	0.5
291.08618	1.6
309.09741	0.8
339.12024	0.2
383.13168	0.2
579.15051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.1
57.03447	0.5
57.03662	0.1
67.01846	0.2
67.05492	0.1
68.99785	0.2
70.88751	0.2
71.05000	3.0
75.04475	0.1
83.04986	0.1
84.08141	0.1
85.02910	3.3
91.05434	0.3
98.20754	0.1
108.89983	0.1
119.04957	0.9
121.02851	0.3
125.72432	0.1
129.04750	0.1
129.05492	0.9
145.02866	0.5
145.06451	0.1
147.06546	0.1
153.01834	3.3
159.99269	0.1
163.03896	0.3
167.06999	0.3
171.02879	0.3
177.05450	0.1
203.07144	0.2
220.60374	0.1
225.05472	0.1
229.05043	0.3
243.06413	0.1
254.76501	0.1
271.06021	100.0
272.06317	0.5
295.65738	0.1
296.01025	0.1
433.11340	15.5
434.10938	0.1
579.20532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1715
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
54.55323	0.1
62.20761	0.1
64.34657	0.1
65.03925	0.1
67.01869	0.4
68.99810	0.2
69.27573	0.5
69.28000	0.5
71.04996	0.5
75.04469	0.1
79.06878	0.1
81.57059	0.1
82.26017	0.1
85.02917	0.9
87.53549	0.1
91.05471	0.5
95.80840	0.1
97.21957	0.1
119.04948	1.7
121.02883	0.6
129.01884	0.1
129.05476	0.2
145.02824	0.5
153.01843	4.3
163.03909	0.5
169.06439	0.1
171.02916	0.3
183.93449	0.1
203.07043	0.1
223.94069	0.1
225.05498	0.3
229.05077	0.2
237.09494	0.2
243.06525	0.4
247.06076	0.2
271.06024	100.0
272.06354	0.6
287.74207	0.1
358.25955	0.1
433.11261	0.4
444.65161	0.1
563.77570	0.1
579.17212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55820	0.4
69.59275	2.7
70.06841	0.4
82.99854	1.3
86.66974	0.4
100.65133	0.4
101.00884	13.2
104.21426	0.4
109.01465	0.5
113.00883	0.5
115.02454	0.7
119.01920	15.8
120.02015	0.5
127.02415	1.5
131.01901	0.6
133.03481	1.7
135.78830	0.4
137.02969	0.7
139.02412	3.1
142.03503	0.5
143.01907	6.7
145.03461	4.8
157.03470	16.4
161.02962	3.9
163.04523	3.9
169.03522	1.2
171.05014	0.7
175.04510	6.9
181.05586	1.1
183.05069	0.6
187.04539	1.0
205.05574	9.7
223.06631	32.9
225.06438	0.5
241.07695	5.8
253.00926	1.1
265.07715	11.4
267.07462	0.8
277.07620	1.2
279.09286	7.2
291.09225	7.1
293.07208	10.1
319.08749	3.0
379.07138	0.5
379.10992	5.6
383.08707	0.5
387.13477	100.0
388.13727	0.7
397.12170	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	579.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55820	0.4
69.59275	2.7
70.06841	0.4
82.99854	1.3
86.66974	0.4
100.65133	0.4
101.00884	13.2
104.21426	0.4
109.01465	0.5
113.00883	0.5
115.02454	0.7
119.01920	15.8
120.02015	0.5
127.02415	1.5
131.01901	0.6
133.03481	1.7
135.78830	0.4
137.02969	0.7
139.02412	3.1
142.03503	0.5
143.01907	6.7
145.03461	4.8
157.03470	16.4
161.02962	3.9
163.04523	3.9
169.03522	1.2
171.05014	0.7
175.04510	6.9
181.05586	1.1
183.05069	0.6
187.04539	1.0
205.05574	9.7
223.06631	32.9
225.06438	0.5
241.07695	5.8
253.00926	1.1
265.07715	11.4
267.07462	0.8
277.07620	1.2
279.09286	7.2
291.09225	7.1
293.07208	10.1
319.08749	3.0
379.07138	0.5
379.10992	5.6
383.08707	0.5
387.13477	100.0
388.13727	0.7
397.12170	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	579.2072
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
51.02357	0.3
53.03933	0.5
55.01862	0.7
57.03428	0.2
61.02916	0.3
65.03939	1.1
67.05508	0.4
69.03432	1.8
69.36924	1.5
69.37334	0.6
70.06560	0.3
78.04700	1.5
79.05473	0.7
81.03398	0.8
82.04183	0.5
83.73264	0.3
85.02905	2.7
85.06546	0.4
89.25288	0.2
91.05473	1.3
93.03381	0.3
95.04956	0.5
97.02896	1.3
97.06550	0.3
99.04462	0.3
99.93886	0.3
101.37973	0.3
103.05451	1.0
105.07030	0.3
106.04150	1.2
107.04945	1.1
107.20966	0.2
109.02882	0.3
109.06502	0.3
110.03664	0.4
115.05450	2.9
117.07021	5.5
123.04432	4.8
124.05196	1.6
127.05425	0.7
134.03624	0.5
135.86461	0.2
137.05960	1.0
138.03162	0.3
139.82556	0.3
142.02600	0.5
143.04878	0.3
145.06493	7.7
145.07645	0.5
147.04309	0.3
147.08083	0.5
151.03885	0.8
152.04675	1.8
153.05452	0.5
155.06032	3.0
163.03957	0.3
167.07042	100.0
168.07381	0.3
171.06482	0.5
173.05989	20.1
175.07556	0.8
181.04961	21.6
189.05501	0.3
190.06270	0.3
197.35532	0.3
201.05534	0.7
205.08624	3.9
207.06500	0.3
233.08083	5.2
235.09660	3.8
309.11200	0.2
325.25168	0.3
387.14401	13.8
417.15482	10.7
417.20114	0.2
489.75287	0.3
579.20734	62.1
580.20856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01865	3.9
55.05511	10.5
57.03432	4.5
57.07074	2.5
61.02920	1.3
65.03954	2.1
67.05508	60.6
69.03430	2.6
69.07069	8.5
69.42052	5.9
69.42469	2.1
71.04998	2.7
73.02911	3.5
75.04480	1.5
79.05494	30.8
80.85227	1.0
81.03414	3.8
81.07062	68.1
83.04994	1.6
83.08603	6.1
85.02900	2.9
85.06537	1.9
91.05482	19.5
93.07050	41.3
95.04977	1.8
95.08611	54.7
97.02888	1.9
97.06534	3.2
97.10160	4.3
99.04443	2.2
99.08101	1.9
103.03967	1.0
105.07033	18.0
107.08601	30.7
109.02882	9.2
109.06557	1.7
109.10159	32.6
110.03676	3.5
111.04433	3.3
111.08096	2.9
114.43593	1.0
117.07030	10.3
119.08587	11.3
121.10147	26.6
123.08022	1.5
123.11716	14.4
125.09663	1.3
127.03938	5.0
129.06918	1.7
131.08583	18.5
131.75664	1.1
132.99551	2.5
133.10136	11.8
135.11697	25.2
137.09641	1.9
137.13246	7.0
139.11139	1.4
143.08592	1.3
145.10136	19.4
147.11687	9.9
149.13275	18.0
151.11194	2.2
151.14833	2.5
159.11697	13.9
161.13263	10.7
163.14841	11.9
163.86891	1.3
165.12810	1.6
173.11900	2.0
173.13272	17.4
175.14815	3.1
177.12721	1.2
177.16454	5.6
179.14319	2.4
185.13210	1.4
187.14822	8.8
191.00116	3.2
201.16386	3.0
205.15857	1.4
215.18018	1.6
233.22588	2.6
243.21095	30.4
259.20630	1.5
261.22153	100.0
263.23740	1.9
271.06067	11.5
279.23206	3.7
300.21127	1.2
317.24817	1.7
335.25824	19.0
340.58670	1.3
353.26892	87.6
369.24234	2.6
377.26727	1.5
384.54022	1.1
420.17798	1.1
443.28125	2.7
451.21396	2.0
469.22971	1.8
543.25873	1.3
561.27356	6.5
579.30536	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	579.2836
Annotation	6-Desacetylscilliroside
Peak:m/z	Relative Intensity
53.03942	5.2
54.66348	1.7
55.01860	2.6
55.05508	20.4
57.03443	14.9
57.07077	5.9
59.16830	2.0
65.03910	1.9
67.05507	85.7
69.03432	4.4
69.07062	20.0
69.82658	10.6
71.04990	3.9
71.08605	2.8
73.02927	2.4
79.05493	38.8
81.03430	10.8
81.07061	100.0
83.04987	2.7
83.08630	12.6
85.02898	4.3
85.06536	4.1
86.09737	2.9
91.05477	24.5
93.07048	55.9
95.04952	4.3
95.08611	82.0
97.06506	5.6
97.10179	9.6
98.20786	2.7
98.98471	83.0
99.04429	4.1
104.10773	4.4
105.07039	23.1
107.08604	38.7
109.02885	11.3
109.06510	2.0
109.10158	48.1
111.04436	4.0
111.08103	3.2
117.07039	9.5
118.60368	2.2
119.08599	17.8
121.10147	29.3
123.08064	2.4
123.11715	18.2
127.03932	4.9
129.06958	2.0
131.08580	16.1
133.10141	16.9
135.11713	29.2
137.13290	8.9
140.14058	2.0
145.10118	13.9
147.11685	14.0
149.13251	19.5
151.14839	3.4
155.01047	88.6
157.02750	1.7
159.11719	12.9
161.13307	12.7
163.14810	14.9
165.12790	3.0
168.62488	1.9
169.62579	1.9
172.95207	2.7
173.13243	17.3
175.14861	6.2
177.16406	4.7
179.14314	2.5
184.07390	14.8
187.14859	6.6
188.18388	2.0
189.16383	2.4
191.00162	2.8
201.16368	2.1
204.51303	2.4
217.14436	2.4
233.22743	4.3
243.21097	29.5
245.22708	13.3
261.22165	91.1
263.23727	27.4
279.23233	4.9
312.22244	2.0
317.06354	14.1
335.25739	21.9
337.27377	67.4
338.27719	2.7
353.26898	75.5
369.24323	2.4
425.28802	2.9
436.28925	2.3
443.28070	3.3
451.21445	2.9
561.27679	9.6
604.00677	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01856	3.5
55.05509	7.7
57.03427	3.5
57.07072	3.4
61.02919	1.3
65.03930	1.4
67.05507	57.9
69.03403	2.3
69.07066	10.2
69.23172	2.9
69.23580	9.9
71.04979	2.0
71.08623	1.4
73.02913	3.1
79.05492	32.8
79.77714	1.2
81.03393	5.3
81.07059	62.3
83.04977	1.8
83.08606	5.1
85.02901	2.6
85.06528	3.5
91.05480	18.6
92.46500	1.3
93.06474	2.5
93.07048	42.8
94.37418	1.3
95.04942	2.6
95.08607	54.0
97.02856	1.6
97.06533	2.5
97.10156	4.6
98.20712	2.7
98.98457	5.6
99.04454	3.3
99.08067	2.1
105.07044	13.5
107.08597	33.0
109.02900	9.0
109.06490	2.3
109.09460	2.1
109.10162	28.4
110.03661	3.2
111.04453	3.9
115.05453	1.7
117.07005	8.8
119.08590	15.7
121.10149	28.1
123.08093	1.4
123.11709	16.1
125.09647	1.7
127.03917	5.0
129.07059	1.4
131.08568	19.8
133.10120	14.2
135.11687	23.6
137.09583	1.5
137.13240	4.6
139.11136	2.0
143.08565	1.7
145.10127	17.9
147.11697	8.6
149.02344	2.9
149.13260	16.9
151.11104	1.6
151.14822	1.5
155.01027	3.5
157.10109	2.4
159.11702	11.3
161.13312	10.5
163.11244	1.9
163.14780	14.3
165.12798	1.8
169.10039	1.4
173.13249	16.2
175.14828	2.9
177.12738	2.6
177.16359	6.5
179.14322	2.8
181.12379	1.3
187.14832	8.9
191.00081	2.8
201.16396	2.9
202.36835	1.4
205.15880	2.4
215.17966	1.7
224.12737	1.5
233.22681	4.1
243.18813	2.1
243.21104	27.6
245.22769	1.5
261.22147	100.0
263.23715	4.0
271.06055	14.2
279.23242	4.3
294.78183	1.3
303.23138	2.2
335.25876	15.5
337.27496	2.6
353.26883	82.0
369.24039	2.1
377.27222	1.8
389.26712	1.5
443.27466	2.1
451.21640	1.7
469.22363	2.2
470.56998	1.5
473.14224	1.4
561.27179	6.2
579.41595	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	579.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
51.36802	0.3
55.01871	0.3
55.05500	0.6
67.05491	0.4
68.99813	0.3
69.07066	3.1
69.81631	1.3
73.02917	1.8
73.06567	1.9
79.05482	0.4
81.07052	0.5
83.08627	0.3
85.02905	0.4
91.05476	1.9
93.07052	1.8
95.04984	0.3
97.02907	0.4
97.06520	0.4
98.21413	0.4
103.05476	3.0
105.07026	0.5
107.04956	0.4
117.03360	0.3
119.04948	0.6
120.04456	0.3
120.08115	0.4
121.06510	10.5
131.04936	5.9
135.04427	1.4
136.07494	0.3
137.05960	1.1
138.65057	0.3
145.02820	0.8
146.85831	0.3
147.04327	0.3
148.03940	0.8
151.06319	0.4
152.07048	1.4
153.01840	3.1
163.03932	0.5
164.07109	0.6
166.05011	3.3
167.07088	0.6
173.20825	0.3
177.05455	0.7
178.08702	0.5
179.03296	0.3
180.06564	30.5
188.90363	0.3
190.05031	0.4
191.06975	0.4
194.08057	0.4
206.04454	0.8
220.06157	0.3
222.07585	0.5
240.08615	0.7
241.04848	0.5
271.06033	7.2
275.09167	1.0
277.13077	0.3
280.11783	5.1
287.05515	61.7
288.05719	0.9
294.13367	56.7
295.13358	0.3
308.14920	0.4
310.43478	0.3
322.12900	3.0
336.14423	100.0
337.14746	0.6
340.13712	0.3
354.15460	7.5
396.16464	0.6
400.17529	1.0
401.13278	0.5
442.18637	15.5
460.19705	0.5
474.21188	0.9
516.22253	3.8
579.20123	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01874	1.6
55.05513	10.7
57.03442	8.8
57.07078	5.2
65.03946	1.5
67.05510	48.2
69.03465	1.3
69.07077	13.8
71.04992	1.1
71.08638	3.0
71.18083	1.9
79.05506	13.6
81.03425	9.3
81.07063	52.4
83.04999	1.6
83.08626	10.3
85.02906	1.3
85.06527	1.6
86.09723	1.4
91.05499	11.1
93.07056	16.6
94.48870	0.8
95.05017	1.7
95.08615	46.8
96.61596	0.8
97.06537	4.1
97.10165	4.1
98.98475	100.0
99.04482	1.3
99.08070	1.3
104.10722	1.8
105.07042	7.9
107.08598	8.7
109.02893	6.9
109.10157	20.0
111.08078	2.0
111.11748	1.0
113.09666	0.9
116.99516	1.7
119.08614	6.1
121.06474	1.2
121.10148	9.4
123.08121	1.2
123.11720	8.9
125.00113	1.0
127.03901	1.3
133.10158	6.4
135.11652	5.6
137.00015	1.0
137.09647	1.5
137.13255	3.5
140.01102	1.1
147.11696	6.1
149.13286	3.8
151.11218	1.1
151.14822	3.5
155.01056	99.8
157.10089	1.0
159.11806	1.0
161.13298	4.6
163.14830	3.2
165.16388	2.0
172.95319	1.2
175.14868	4.0
179.14297	1.0
179.17979	1.4
184.07356	2.0
189.16383	1.2
219.29776	0.9
220.70053	0.8
243.02631	1.6
245.22652	14.0
259.15302	1.0
263.23700	26.7
271.05920	0.9
299.05469	1.8
317.06302	13.4
319.26227	1.2
337.27393	73.8
338.27725	1.0
407.28046	1.3
425.29205	5.5
561.28351	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	579.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82842	0.4
55.05513	0.5
58.34980	0.5
67.05502	0.9
69.31097	4.3
79.05486	0.8
81.07043	1.5
93.07037	0.8
95.08598	0.6
102.25101	0.5
112.40972	0.4
119.08549	0.6
121.06505	0.8
121.10202	0.5
140.54724	0.4
152.41664	0.5
163.11084	0.6
163.64893	0.4
291.19321	2.0
293.19724	1.4
300.48547	0.4
309.20135	1.5
311.21823	4.1
329.21661	0.7
353.26682	1.4
502.85437	0.5
579.42340	100.0
580.42548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.4
51.02373	1.0
53.03949	3.6
69.86363	2.1
70.06580	0.4
77.03900	0.7
77.74712	0.4
79.05493	17.5
81.03457	0.4
81.07043	0.4
91.05482	8.9
93.07047	10.7
95.04977	3.4
95.08567	0.4
97.02888	0.6
98.20810	0.5
102.04686	0.6
103.05470	59.1
105.04539	1.4
105.07048	2.4
107.04955	20.9
116.01948	0.4
121.06505	37.9
131.04933	17.8
137.06007	0.6
144.04457	0.6
147.04422	0.4
149.06007	1.3
153.34845	0.4
160.03920	2.3
162.05515	2.0
166.08810	0.4
167.07063	0.9
176.07121	1.4
177.05522	1.5
178.05003	3.2
180.06549	0.9
192.06555	8.1
194.08127	16.8
206.04550	0.6
208.09740	1.0
220.06058	3.8
236.09177	2.5
238.07057	2.3
252.08727	1.2
268.11887	1.7
271.06174	0.9
272.06418	0.8
280.08112	3.8
294.74527	0.4
298.10693	0.4
326.10306	4.3
340.11777	14.1
342.13388	14.6
354.09763	1.0
356.15085	0.7
368.11346	5.1
384.14423	4.7
386.12323	6.5
400.14017	1.6
416.17081	1.7
428.13440	28.9
442.15015	3.4
460.15646	0.7
548.19299	0.9
580.21783	100.0
581.22491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03948	2.3
57.03456	2.3
59.05010	0.6
61.02931	1.3
69.03436	5.4
69.66689	2.5
70.06598	0.7
71.01358	0.5
71.04991	1.6
71.17278	0.4
73.02924	5.6
77.03939	0.5
81.03412	2.3
85.02421	0.7
85.02911	8.7
87.04476	10.2
91.05480	5.3
93.07054	6.0
95.04981	1.3
97.02894	2.1
99.04470	5.5
101.02374	0.4
103.03933	0.9
103.05485	5.0
105.04493	0.7
105.07010	0.7
109.02898	1.6
117.05794	0.5
118.06548	0.8
120.79491	0.4
121.06516	26.5
127.03946	1.3
129.05489	1.6
129.32208	0.4
137.05959	0.5
144.04478	1.2
146.06026	5.0
147.06508	0.6
162.05530	1.0
163.03943	0.9
172.03941	0.5
175.38737	0.4
176.07156	1.2
178.08643	13.1
188.07190	1.2
190.05031	1.3
190.08711	1.4
204.06573	2.4
206.08153	2.7
208.09590	0.6
210.11238	0.5
216.06624	1.8
220.09723	5.6
222.08015	2.0
222.11266	21.7
234.07669	2.9
236.09172	0.6
248.09184	7.2
254.13980	1.7
266.10263	8.3
270.84708	0.4
280.11728	0.6
294.89526	0.4
339.07565	0.5
342.17059	0.5
382.14868	2.0
384.16599	14.6
386.15509	0.6
396.13034	1.5
402.15341	1.8
410.14542	5.1
416.19138	1.0
418.18759	0.9
428.15570	31.8
442.17261	1.2
460.18466	0.9
463.01392	0.4
506.65143	0.5
548.21375	3.9
580.23969	100.0
581.24432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03947	1.8
57.04610	0.3
61.02937	0.3
65.03979	0.3
67.64859	0.3
69.03432	0.9
70.99908	0.8
77.03936	0.6
80.95222	0.3
81.03400	0.5
85.02914	1.1
87.04486	0.3
91.05487	7.5
93.07053	11.6
95.04989	1.5
97.02892	0.6
98.97625	0.3
103.05476	8.0
105.04529	0.9
113.17400	0.2
117.05733	0.4
118.06554	1.2
120.04458	0.5
121.06518	80.3
122.06853	0.4
134.09625	0.5
144.04465	1.9
146.06020	6.8
160.07581	0.7
162.05551	0.6
162.09172	0.5
164.07021	0.3
172.03949	0.7
176.07060	1.7
178.08656	12.1
179.41499	0.3
188.07059	3.6
190.05070	0.4
190.08672	1.8
194.06956	0.3
204.06635	1.1
206.08141	3.1
208.09633	0.5
216.06589	3.0
220.09706	14.6
222.11276	25.9
234.07578	2.8
238.10837	0.6
248.09229	9.6
254.13866	2.0
266.10260	36.3
280.11868	3.2
298.13055	1.2
342.17184	0.4
386.16043	0.8
387.16635	0.9
418.18655	2.2
548.21277	2.9
580.23944	100.0
581.24255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
53.60519	2.8
55.01865	6.7
55.05519	24.1
57.03437	7.6
57.07069	9.2
62.98492	4.0
65.03912	5.3
66.50945	3.1
67.05508	89.4
68.19658	3.5
69.03435	41.3
69.07067	29.9
69.42928	13.1
69.43353	16.1
70.86509	3.3
71.07018	3.2
71.08633	6.8
79.05502	37.1
81.03425	61.3
81.07064	100.0
83.04974	8.5
83.08629	18.8
85.02915	29.7
85.06532	7.3
91.05481	35.1
93.07047	42.2
95.04961	9.2
95.08612	75.3
97.02905	23.8
97.06555	5.1
97.10188	7.4
98.06022	3.4
98.21451	7.5
99.04451	9.7
103.05475	3.2
105.07050	28.5
107.04948	7.5
107.08598	28.1
107.75419	2.9
108.04482	7.5
109.02906	15.7
109.06560	3.5
109.10165	29.9
111.04443	6.7
111.08072	5.4
117.06994	16.9
119.08583	18.6
121.06519	48.6
121.10151	21.5
123.04382	5.2
123.08067	6.4
123.11722	17.3
125.09602	5.2
127.03893	11.5
129.05487	4.3
131.08583	19.3
133.10103	18.0
135.11682	14.0
137.09631	3.9
137.13231	7.9
143.08557	5.9
145.05000	4.4
145.06389	4.9
145.10155	16.4
147.08063	5.6
147.11676	14.6
149.13239	11.5
151.14784	4.1
157.10080	7.4
159.11697	7.8
161.09627	3.6
161.13252	12.2
163.14868	7.7
169.10159	3.4
171.11757	6.1
175.14838	7.0
185.13280	5.8
187.14870	7.5
191.14282	4.3
201.16353	5.9
213.16301	4.4
245.22574	10.9
252.41484	3.5
261.22049	7.1
263.23636	21.8
275.23798	5.3
279.23053	3.7
287.23532	5.8
291.23218	7.3
293.24762	13.6
303.23181	9.1
305.24847	9.8
317.24661	10.8
321.24258	7.5
329.24738	7.0
343.26236	10.1
353.25128	10.2
354.27011	24.2
361.27283	5.2
371.25882	43.2
389.26834	44.8
407.27924	41.2
425.28986	11.1
481.95709	3.8
504.85306	4.3
580.27032	9.2
580.35541	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	580.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29723	1.5
53.03937	3.6
55.01871	3.8
55.05263	1.9
55.05517	24.8
57.03436	15.2
57.07077	6.2
65.03949	3.2
67.05508	67.9
68.29752	1.7
69.03408	2.6
69.07070	28.0
71.05000	3.3
79.05496	42.1
81.03403	3.2
81.07063	73.5
83.04975	8.4
83.08613	13.4
85.06541	2.1
91.05477	30.4
93.07047	52.7
95.04984	12.4
95.08612	65.2
97.06549	9.3
97.10175	6.0
99.04483	2.1
99.87434	1.6
103.03174	1.9
105.07040	21.5
107.04958	5.9
107.08605	34.3
109.06547	5.2
109.10152	18.1
111.04414	1.9
111.08074	2.5
115.64224	1.5
117.07022	11.0
119.08588	20.7
121.06458	3.1
121.10159	17.6
123.11723	6.8
125.05931	2.5
125.09724	2.3
129.07001	2.7
131.08580	6.2
133.10147	16.6
135.11691	32.4
137.09621	2.1
137.13252	3.3
145.10133	20.9
147.08044	1.7
147.11682	10.0
149.13268	3.2
151.11256	2.5
151.13647	2.0
157.10109	2.3
159.11685	3.2
161.13326	2.8
163.11192	34.2
163.14842	3.1
163.75536	1.6
164.11588	1.8
164.93089	1.7
173.13304	2.7
181.12213	4.7
193.12236	3.0
205.06802	2.0
211.13324	1.9
227.12788	42.1
229.50682	2.5
249.10983	3.1
261.22128	4.2
263.23749	2.8
267.15787	2.5
275.20035	2.3
283.15442	40.2
285.17041	28.3
309.07040	1.9
335.21957	3.6
335.25821	45.6
337.27386	100.0
427.89423	1.8
503.37274	7.2
504.00034	2.0
536.59064	2.1
545.38379	83.3
562.38007	7.9
580.39209	21.7
581.39771	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	580.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01867	3.7
55.05519	24.9
57.03441	18.7
64.09360	3.4
64.65611	3.2
64.93844	3.1
65.03951	5.9
66.87540	2.7
67.05515	90.3
69.07069	29.8
69.24345	18.4
69.24769	12.7
71.04992	5.5
79.05497	70.2
81.03449	4.1
81.07070	95.3
83.04985	7.4
83.08626	15.8
85.06544	7.3
91.05490	68.9
93.07053	96.7
95.04976	8.6
95.08611	43.4
97.06551	5.9
97.10184	6.7
97.88502	3.2
98.20741	4.4
99.08146	4.5
105.07043	71.8
107.08606	47.3
109.10184	17.0
111.08099	6.8
115.05426	5.6
117.07011	21.4
119.08591	56.6
121.10175	30.0
123.11719	6.6
129.07022	14.9
131.08582	32.7
133.10144	52.2
135.11717	26.3
143.08586	7.6
145.10146	15.8
147.11702	44.4
149.13268	46.9
157.10146	11.3
159.11697	26.9
161.13293	29.0
163.11320	3.5
163.14900	6.4
171.11714	13.0
173.13292	13.7
175.14818	16.4
177.12784	8.7
184.07379	3.4
185.13301	10.4
194.20055	4.0
195.13870	11.5
199.14824	6.1
231.21045	6.4
241.19553	32.2
256.26437	3.0
259.20621	87.2
267.15955	11.6
269.17514	100.0
315.23209	8.3
324.26752	3.3
333.24246	70.8
335.25803	4.3
435.33041	4.8
527.37384	67.0
545.38324	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	581.1502
Annotation	NSC641260
Peak:m/z	Relative Intensity
57.03431	0.2
67.01858	0.4
68.99804	0.3
69.03414	0.3
69.78822	0.1
70.06575	0.2
71.18092	0.2
73.02894	0.3
76.17496	0.1
85.02888	0.5
97.02882	0.5
98.97585	0.1
105.07053	0.1
107.04926	0.1
111.00838	0.1
115.03976	0.1
117.03426	0.2
117.74146	0.1
121.10245	0.1
127.03932	0.2
131.04919	0.1
133.06537	0.2
135.04410	1.6
137.02342	0.5
137.05994	0.6
140.03435	0.2
145.02815	0.3
147.04414	0.2
149.05971	0.2
153.01831	4.9
161.02339	0.5
161.05942	0.1
163.03899	0.2
167.07004	0.3
171.02885	0.3
177.05475	0.3
179.03355	0.2
213.05516	0.2
241.04936	0.7
242.31548	0.1
253.08458	0.1
259.06128	0.1
263.05396	0.2
265.08719	0.2
269.04419	0.3
287.05499	100.0
288.05817	0.6
401.13345	0.1
419.15292	0.2
449.10843	0.4
581.20325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
64.89040	0.5
65.68137	0.5
69.03424	1.6
71.04968	0.6
71.58244	0.6
77.03906	0.6
79.05505	0.5
81.03427	3.8
81.07055	0.6
82.22726	0.5
85.02917	1.6
85.27017	0.5
89.03938	4.5
91.05499	2.7
95.04967	2.9
97.02901	0.7
97.12519	0.4
103.05460	1.5
105.07063	0.6
107.04940	0.7
109.02883	2.1
109.10194	0.5
117.03384	14.4
119.04919	0.7
121.06518	2.0
122.03635	0.5
123.04415	1.4
131.04932	1.7
134.03659	0.7
135.04445	1.0
137.05965	6.0
145.02856	45.0
147.04407	0.7
149.06000	5.5
151.03891	5.0
151.07465	0.6
161.06000	0.6
163.03870	0.8
163.07561	1.5
165.05461	4.0
167.07043	6.8
177.05481	100.0
180.94519	0.5
181.05011	0.6
181.08591	0.5
186.05515	1.2
193.04977	1.4
195.06526	2.2
225.07579	1.6
271.06064	1.1
321.09750	5.0
339.10760	7.1
365.12094	1.0
368.52789	0.5
383.13174	1.0
385.13947	1.2
527.40186	0.5
581.22113	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	581.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
67.05491	0.5
69.03429	1.2
74.94553	0.5
77.78873	0.5
79.05482	0.8
81.03425	5.2
81.07047	0.7
83.28336	0.5
83.67488	0.5
84.18133	0.5
85.02893	2.0
89.03918	4.2
91.05469	2.3
95.04980	3.2
97.02905	1.3
98.49088	0.5
103.05467	2.5
105.07043	0.8
107.04922	1.2
109.02853	1.7
113.06018	0.9
117.03387	17.4
119.04935	1.5
121.06497	2.2
123.04428	1.2
131.04909	3.2
134.03618	1.3
135.04417	0.9
137.05989	8.9
138.43755	0.6
145.02850	43.6
147.04433	1.6
149.05983	6.9
151.03938	4.8
151.07552	1.3
162.03122	0.7
163.03874	0.8
163.07597	2.8
165.05502	5.5
167.07054	13.7
175.07515	1.0
177.05475	100.0
180.06551	0.8
181.04996	1.1
181.08682	0.6
186.05434	1.2
191.07042	0.9
193.04961	1.7
195.06552	2.0
207.06531	0.8
217.08521	1.0
225.07626	1.9
235.09657	0.9
271.05997	2.5
321.09711	5.7
339.10709	6.9
353.13867	1.3
365.12039	1.0
383.13077	1.0
385.13821	1.0
464.96368	0.6
507.16971	0.6
541.87512	0.6
545.02332	0.6
563.20392	0.8
581.21918	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	581.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
53.51339	1.1
55.01868	1.9
55.05494	1.5
64.88506	1.0
66.68141	1.1
66.80603	1.2
69.03425	3.5
70.06595	2.9
71.04965	1.5
71.57938	2.6
79.05516	8.0
81.03403	1.7
84.08145	2.6
85.02903	4.9
91.05505	7.1
93.07037	5.1
95.04955	2.8
95.08622	1.6
97.02897	1.9
98.97562	2.7
103.05466	17.4
105.07036	63.6
107.04955	3.7
107.08606	3.6
109.63410	1.4
115.05455	14.4
116.98678	1.6
118.04164	6.9
119.04953	2.9
121.06537	3.5
123.04507	1.8
131.04918	9.8
133.02882	1.9
133.06496	53.1
137.05978	11.9
143.05025	1.9
143.06059	4.8
147.04358	2.2
148.05226	2.4
149.05989	3.9
151.04021	1.6
161.05986	100.0
163.03926	4.1
163.07562	7.5
165.05525	2.5
167.07050	6.9
173.06073	1.6
177.05458	12.4
181.05011	2.8
191.07042	41.5
193.08609	61.9
209.08054	8.3
219.10237	1.7
263.62366	1.2
265.08456	2.2
287.05560	4.3
320.17047	1.3
355.11603	2.2
401.13528	1.7
419.14737	1.7
455.12311	2.2
581.19519	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	581.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
53.51339	1.1
55.01868	1.9
55.05494	1.5
64.88506	1.0
66.68141	1.1
66.80603	1.2
69.03425	3.5
70.06595	2.9
71.04965	1.5
71.57938	2.6
79.05516	8.0
81.03403	1.7
84.08145	2.6
85.02903	4.9
91.05505	7.1
93.07037	5.1
95.04955	2.8
95.08622	1.6
97.02897	1.9
98.97562	2.7
103.05466	17.4
105.07036	63.6
107.04955	3.7
107.08606	3.6
109.63410	1.4
115.05455	14.4
116.98678	1.6
118.04164	6.9
119.04953	2.9
121.06537	3.5
123.04507	1.8
131.04918	9.8
133.02882	1.9
133.06496	53.1
137.05978	11.9
143.05025	1.9
143.06059	4.8
147.04358	2.2
148.05226	2.4
149.05989	3.9
151.04021	1.6
161.05986	100.0
163.03926	4.1
163.07562	7.5
165.05525	2.5
167.07050	6.9
173.06073	1.6
177.05458	12.4
181.05011	2.8
191.07042	41.5
193.08609	61.9
209.08054	8.3
219.10237	1.7
263.62366	1.2
265.08456	2.2
287.05560	4.3
320.17047	1.3
355.11603	2.2
401.13528	1.7
419.14737	1.7
455.12311	2.2
581.19519	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	581.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05500	0.8
55.41341	0.2
57.03437	0.4
61.00972	0.2
67.05504	2.6
69.03423	0.8
69.07063	1.0
73.29292	0.2
76.02148	0.2
79.05490	1.1
81.07057	3.1
83.04990	0.7
83.08615	0.7
85.02903	0.5
89.25661	0.2
91.05494	1.0
93.07047	1.0
95.08616	2.3
97.06551	0.3
97.10172	0.4
98.98468	2.4
99.04478	0.3
105.07047	0.9
107.08613	1.0
109.10162	1.2
111.04410	0.4
119.08561	0.6
121.10152	0.9
123.08074	0.3
123.11713	0.5
125.09635	2.1
131.08682	0.3
133.10132	0.7
135.11699	0.6
145.10085	0.3
147.06554	0.5
147.11694	0.3
149.13277	0.3
155.01068	2.8
161.13301	0.3
203.25333	0.2
217.14455	0.2
245.22704	0.5
263.23746	0.9
277.21823	0.3
293.21082	1.7
311.21957	6.6
328.37631	0.2
329.21674	1.3
334.22122	0.2
337.27399	4.9
337.31143	0.4
352.23218	0.5
545.42566	0.4
581.43909	100.0
582.44440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01895	2.0
55.05516	33.4
57.03445	3.2
57.07073	4.9
57.45892	1.6
65.03938	3.9
67.05173	3.6
67.05512	57.8
69.03429	4.1
69.07075	30.8
71.04996	18.8
71.57441	3.7
79.05062	3.6
79.05499	55.8
81.03394	1.9
81.07064	57.6
82.64240	1.9
83.04982	14.9
83.08632	22.1
85.06535	7.0
91.05486	56.4
93.07048	50.4
95.04971	6.0
95.08053	3.0
95.08618	40.2
97.06545	18.4
97.09618	2.4
97.10181	21.3
98.98466	8.3
104.10731	4.4
105.07046	40.1
107.08607	45.5
109.06530	7.5
109.10157	22.8
111.08089	7.1
111.11707	6.0
117.07025	16.1
119.07793	3.1
119.08600	35.4
121.10162	32.0
123.08066	6.8
123.11715	8.8
125.09653	14.0
125.13257	2.3
125.88336	2.0
129.06987	5.7
131.08578	25.6
133.10144	36.0
135.08038	4.1
135.11687	14.7
137.09586	5.2
139.11174	7.4
141.06953	2.3
143.08553	4.5
145.10123	17.9
147.11717	19.3
149.09589	4.3
149.13232	6.2
151.11163	4.5
153.12796	2.7
155.01064	7.9
155.08559	3.3
155.10654	1.8
157.10126	7.8
159.11702	9.8
161.13271	7.7
169.10088	3.8
171.11693	6.5
173.11763	5.1
173.13287	5.2
175.14845	3.6
175.72484	1.7
177.12724	1.7
179.14337	1.8
181.12213	3.5
183.11775	3.0
185.11742	2.8
189.11221	11.1
197.13272	4.9
203.12802	12.7
209.15427	2.9
211.14830	2.2
217.19449	9.2
223.17001	2.8
228.64853	2.2
229.19617	2.4
235.20642	9.0
239.17984	8.5
249.18506	4.0
253.21671	13.5
257.19012	16.8
263.20090	4.9
275.20096	100.0
277.21674	2.3
293.21152	74.4
311.22195	21.3
337.27209	4.0
339.28851	4.2
388.55371	2.2
563.43402	17.9
569.86481	2.1
581.43207	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	581.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.1
55.01862	5.3
55.05514	39.6
57.03431	2.9
57.07064	5.2
65.03945	4.7
67.05511	69.3
69.03428	3.6
69.06728	2.4
69.07075	33.5
69.38247	11.3
71.04999	15.6
79.05501	74.7
81.03433	2.6
81.07063	75.0
83.04993	20.9
83.08624	21.3
85.02879	1.7
85.06522	5.5
91.05488	96.1
93.07053	76.0
95.04975	10.4
95.08615	45.3
97.06536	26.4
97.10178	24.1
98.21455	2.4
98.98466	5.7
99.04419	1.6
99.08075	2.3
103.05470	3.8
105.04527	2.4
105.07040	71.7
107.04942	2.5
107.08604	53.3
109.06504	5.9
109.10170	20.0
111.08057	3.7
111.11709	4.5
115.05492	2.0
117.07024	22.9
119.08590	50.1
121.06489	5.0
121.09314	2.7
121.10155	38.2
123.08051	4.6
123.11738	6.4
125.09645	11.0
128.06277	1.8
129.07016	8.5
131.08586	39.7
133.06403	1.6
133.10146	41.7
135.08035	4.4
135.11681	17.1
137.09589	4.1
137.13248	2.4
139.11191	8.2
141.07001	4.1
143.08545	6.4
144.09343	1.6
145.10123	25.1
147.11700	20.1
149.09605	5.8
149.13261	5.8
151.11180	3.1
153.09155	1.7
153.12773	1.7
155.01068	5.9
155.08543	3.0
157.10141	7.9
159.11703	14.3
161.09657	2.0
161.13264	7.1
163.11206	3.9
165.12753	1.6
165.68225	1.4
169.10110	4.4
171.11641	8.7
173.11819	2.8
173.13263	7.3
175.11139	2.1
175.14824	1.5
177.12689	2.3
181.12196	2.2
183.11748	6.5
184.07358	1.5
185.11697	2.1
185.13283	3.5
187.14890	2.5
189.11208	12.2
189.12796	2.3
191.14316	2.2
193.12189	3.1
195.13722	3.0
197.13176	2.8
203.12747	9.8
207.13783	2.2
211.14917	3.3
213.16234	1.6
215.17880	1.8
217.19543	4.1
223.16943	2.4
225.14958	1.8
229.19579	1.6
233.15338	2.0
235.20506	6.5
239.18037	9.1
249.18448	4.4
253.21713	3.8
257.19055	18.5
259.20654	1.4
263.20007	2.5
275.20084	100.0
277.21600	2.0
293.21118	26.4
311.22141	3.1
339.28943	4.8
358.41025	1.5
401.30319	1.4
491.38574	2.1
509.39822	4.4
527.41168	9.6
545.21313	1.5
545.41919	4.4
563.42786	3.8
574.18152	1.5
581.44055	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.9
55.01862	5.8
55.05267	4.6
55.05515	58.3
57.03434	4.5
57.07069	7.2
65.03932	6.3
67.05508	100.0
68.43456	2.0
68.95390	2.1
69.03432	4.2
69.06718	4.2
69.07072	55.6
69.21587	23.0
71.04993	23.9
79.05496	82.6
81.03414	4.9
81.07065	94.8
83.04985	20.4
83.08209	2.8
83.08631	35.3
85.06536	11.3
91.05486	89.3
91.44084	2.5
93.06471	4.6
93.07053	85.6
95.04966	9.7
95.08614	70.5
97.06544	26.2
97.10169	30.4
98.98481	11.3
99.08094	5.7
103.05496	3.0
105.04494	2.6
105.07040	61.8
107.04976	3.6
107.08602	53.0
109.06506	7.3
109.09452	3.0
109.10166	42.6
111.07355	2.1
111.08081	9.1
111.11732	5.8
117.07032	30.1
119.07803	4.1
119.08598	50.9
120.39703	2.1
121.06507	5.2
121.09315	3.6
121.10150	50.5
123.08073	9.7
123.11721	14.5
125.09640	13.8
128.06255	3.0
129.07008	12.4
130.07784	3.6
131.08571	45.2
133.10136	39.7
135.08047	5.0
135.11705	29.5
136.73386	2.1
137.09592	8.2
137.13252	5.0
139.11209	12.7
141.06963	4.3
143.08577	12.7
145.10133	44.7
147.07990	2.8
147.11696	27.8
149.09634	7.1
149.13243	7.2
151.11177	4.5
153.12761	4.4
155.01010	9.5
155.08583	7.2
155.10599	2.4
157.10135	13.9
159.08067	3.7
159.11710	18.7
161.13278	15.1
163.11192	4.2
163.14822	3.3
165.12813	5.6
169.10136	6.1
171.11685	17.3
173.11717	9.6
173.13251	11.5
175.14758	3.8
181.12315	2.5
183.11705	7.4
185.13300	5.5
189.11247	11.0
189.12738	3.2
195.11729	3.2
195.13762	2.5
197.13214	8.2
199.14929	3.2
203.12769	11.9
207.13794	5.3
213.16425	4.3
217.19551	5.6
222.72191	2.2
223.17108	2.9
227.93700	2.0
229.19519	2.6
233.15587	2.6
235.20546	11.1
239.17827	13.2
249.18489	6.6
253.21666	4.3
257.19016	34.3
265.25284	2.6
275.20062	69.5
275.23145	3.5
293.21161	19.2
339.28937	9.8
387.28778	4.2
389.77866	2.2
401.30795	2.5
405.29947	3.7
407.31699	4.7
419.31503	7.5
457.36597	4.5
491.38577	11.5
497.39999	4.0
509.39905	39.0
515.40784	5.0
527.40961	67.2
545.42059	49.0
555.48840	2.6
563.43384	15.4
580.01312	3.0
581.27313	2.6
581.44476	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	582.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03952	3.2
54.58012	0.5
59.34405	0.5
62.28089	0.4
65.03954	0.6
66.70925	0.4
69.73691	1.6
69.74106	1.0
71.05025	0.6
77.03924	0.9
81.64932	0.5
85.02913	0.7
91.05489	15.2
93.07044	8.4
95.04976	24.6
97.02863	0.6
98.21465	0.9
100.11237	0.6
103.05467	9.2
105.04512	1.7
105.54125	0.5
109.06538	1.5
112.54235	0.5
119.04952	40.5
121.06512	40.8
123.04436	53.2
133.39474	0.5
134.06049	1.1
137.06013	2.0
144.04501	1.2
147.04417	20.6
152.07074	0.5
160.03894	2.5
162.05533	4.4
163.03929	0.7
165.05496	10.5
167.07042	2.2
168.07358	0.5
170.81488	0.4
176.07115	1.5
177.05481	0.5
178.04996	4.7
180.06551	2.5
192.06577	7.6
194.08144	29.0
196.05956	0.5
204.06630	0.6
206.04494	1.5
207.06558	0.9
220.06073	6.5
222.07610	1.4
236.09196	5.0
238.07112	8.4
238.09561	0.5
245.91844	0.4
254.10260	4.2
266.06631	0.9
267.63379	0.5
274.07047	0.5
280.08191	16.4
298.09357	2.0
312.14261	0.4
356.11459	0.6
358.12973	0.7
384.10941	0.6
386.12384	3.0
401.87219	0.5
402.12134	0.7
418.15002	12.9
444.12921	12.8
582.19733	100.0
583.19965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01874	3.5
56.96558	2.8
66.85925	1.6
69.03421	6.2
71.29163	2.0
71.57922	2.2
73.02928	2.3
81.03403	1.8
81.39512	2.1
85.02908	16.5
86.50381	1.7
87.04464	2.5
89.03915	2.1
91.05487	2.6
95.01310	2.0
95.04946	3.3
97.02916	6.1
98.76036	1.6
98.76675	1.7
98.97578	6.2
103.05486	3.2
105.06389	2.7
105.07040	38.5
107.04964	2.9
115.03970	3.6
115.05453	7.9
116.98663	2.8
117.07018	3.8
119.05042	1.8
123.04436	6.7
127.03940	4.4
131.04913	2.3
133.06506	44.9
135.04472	3.2
136.06238	2.4
137.05980	2.8
139.03981	1.7
139.59026	1.6
143.03340	2.4
143.05000	2.0
143.06070	2.5
145.02840	2.6
145.06441	5.2
151.03754	2.3
155.07039	3.8
157.06439	3.0
160.05168	2.4
161.05989	100.0
163.03932	10.8
167.07057	25.1
173.05991	4.0
175.06044	2.9
175.07549	3.5
177.05533	4.0
179.07112	3.3
183.06505	3.3
187.07539	3.1
189.05334	1.9
190.06325	2.7
192.07877	2.6
193.08620	72.1
200.04875	1.8
201.05557	2.9
203.07021	3.4
205.08536	6.1
207.06598	8.6
219.01706	2.4
219.06627	3.8
221.07945	2.6
229.04967	3.1
231.06549	4.9
233.04459	7.5
233.08138	4.7
237.02763	2.2
245.08173	3.2
247.05971	5.6
249.07520	3.0
251.09180	23.9
259.06100	3.6
261.07608	12.8
263.09171	4.2
275.09097	5.3
277.07144	3.4
279.08618	6.3
287.09113	2.7
289.07034	9.1
289.10410	2.3
293.10275	3.6
297.80960	2.0
305.10214	4.9
307.08185	28.9
315.07782	1.8
319.08206	2.5
325.09238	4.3
367.10382	12.8
385.11322	75.1
473.09607	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79714	1.5
53.03942	2.2
53.77526	1.3
55.97647	1.5
57.03439	2.5
61.02917	2.7
69.03429	4.4
70.06572	1.8
70.56318	5.0
73.97321	1.6
78.34806	1.3
79.05489	1.8
81.03428	8.2
82.69197	1.4
85.02906	15.7
85.64008	1.3
89.03896	3.1
91.05483	6.1
93.06984	1.8
94.04203	2.0
97.02911	15.8
103.05463	4.4
107.04937	3.1
108.41094	2.0
109.02878	2.7
109.06533	2.5
115.05454	4.9
117.03382	5.1
117.07008	2.0
119.04956	2.8
121.06511	8.8
122.03642	3.6
127.03940	3.5
128.06192	1.8
129.06998	5.9
131.04935	7.6
136.05124	2.2
137.05992	80.5
143.04915	6.8
143.08672	1.9
144.05702	1.7
145.02855	10.8
145.04890	3.3
145.06520	8.3
146.03180	5.2
149.06003	3.6
151.03876	2.7
151.07605	3.5
154.06281	1.9
157.06516	6.6
158.07352	1.7
159.08078	3.4
160.05222	7.9
161.05960	2.8
165.05475	3.5
166.06320	8.9
167.07030	7.2
168.07332	1.9
169.08630	2.2
172.05217	2.8
173.06009	5.0
174.06764	3.2
175.07561	62.1
177.05499	28.4
178.05775	14.7
180.06544	2.4
180.08682	2.0
181.08612	27.3
187.07570	26.2
188.08353	26.2
189.05516	9.4
189.09111	10.0
191.07097	2.0
195.06577	1.9
201.05492	3.4
201.09277	1.9
202.09900	9.6
204.07858	41.1
205.08644	14.2
207.10219	3.6
217.08606	4.0
218.09361	2.9
219.10188	100.0
231.10191	33.3
233.11742	4.7
235.09595	8.3
249.09056	1.2
249.11273	29.1
261.08932	2.0
261.11392	8.1
267.51907	1.4
277.08618	2.8
279.12308	47.3
284.10580	2.6
291.10056	3.3
292.10986	2.8
299.09167	4.7
304.10995	2.1
305.08099	1.6
305.11700	2.0
309.11044	3.1
314.11639	10.2
315.12262	2.9
321.11136	4.8
323.12839	2.1
324.13495	4.2
327.12097	2.2
335.12613	2.4
335.73743	1.7
336.13406	5.3
337.10739	1.8
340.13132	1.8
355.15359	7.1
367.15347	15.2
385.16501	34.2
386.12418	3.5
582.21191	5.1
590.37305	1.9
602.11670	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78140	0.2
51.02383	0.4
53.03953	2.1
60.37785	0.2
65.03947	0.5
69.03432	0.3
69.51282	1.3
77.03952	0.6
79.05478	0.4
81.03443	0.3
85.02902	0.3
91.05491	5.9
93.07050	8.7
95.04971	2.0
97.02871	0.3
98.21483	0.4
103.05477	7.4
105.04542	0.7
107.04980	0.3
109.02901	0.3
121.06514	100.0
122.06863	0.5
123.00732	0.3
123.04446	0.2
133.02875	0.3
135.04422	0.4
135.08105	0.2
137.05972	1.8
145.02837	0.3
145.06419	0.2
147.04396	0.3
148.60672	0.2
149.02370	1.2
151.03964	0.5
151.07552	0.4
163.03879	0.4
167.03351	0.4
167.07034	2.3
168.07498	0.3
177.05478	0.6
181.04921	2.2
182.08144	0.4
191.03397	0.7
205.08546	0.3
209.04390	0.4
216.35043	0.2
223.05951	2.2
223.07452	0.2
226.10925	0.4
235.09734	0.3
237.86247	0.3
329.10217	0.4
334.86322	0.3
337.10764	0.3
365.23602	0.2
490.44363	0.3
565.20844	0.3
583.21588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2179
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
52.91133	1.7
53.03946	3.7
54.40493	1.5
55.01872	2.4
65.03936	3.4
67.05501	3.1
69.03439	3.4
69.07069	3.3
70.06593	3.9
70.70074	4.2
72.91836	1.5
73.41152	1.5
78.04690	2.0
79.04702	1.7
79.05506	8.8
81.03439	9.5
81.07068	3.6
84.81344	1.6
85.02909	4.5
86.09739	2.4
88.03957	1.9
91.05489	18.1
93.07047	4.4
94.04172	4.1
95.04981	6.8
95.08622	2.8
97.02868	2.8
97.04080	1.6
97.06528	3.0
102.22270	1.8
103.05482	8.9
105.07021	14.4
107.04974	16.8
107.08594	4.0
109.10188	1.9
115.05479	14.1
117.07025	13.2
118.04179	1.6
119.04951	5.4
119.08607	4.6
120.08096	1.7
121.06521	11.1
121.07283	1.6
121.10128	2.1
122.03634	8.2
123.04457	10.9
124.05253	3.6
127.03951	3.0
127.05511	1.9
128.06242	3.0
129.07021	3.3
129.10190	1.8
131.04926	8.5
131.08591	2.7
133.02914	2.0
133.06525	8.5
135.04407	5.1
135.08037	1.9
137.05986	100.0
141.06975	2.5
143.04904	4.8
144.05727	3.9
145.06479	14.6
147.04434	5.7
147.08081	4.4
148.05177	2.0
149.05991	3.8
151.03940	15.0
151.05035	2.8
151.07559	3.4
153.05499	5.9
153.06819	1.7
155.06062	5.9
156.05717	2.0
157.06485	2.5
159.08180	2.9
160.05246	3.1
161.05989	16.2
163.03885	2.6
163.07532	2.1
164.07091	18.5
165.05472	4.3
167.07047	92.4
172.05193	4.2
173.06012	15.8
175.07532	9.8
177.05478	10.0
179.07071	5.6
181.05022	14.3
181.06412	3.1
181.08565	2.8
183.08124	2.3
187.07603	7.3
190.06210	3.3
191.07048	6.3
193.08636	9.7
195.06541	2.6
195.08115	2.0
198.06709	2.0
203.07013	3.2
205.04828	1.9
205.08569	16.0
207.06519	13.5
207.10204	5.2
209.06169	2.6
209.08055	3.5
211.07677	2.4
217.08675	7.1
219.08246	2.3
219.10197	5.1
221.08101	3.0
223.09657	3.1
226.06357	3.2
233.08170	4.6
235.07545	3.5
235.09647	19.4
236.08412	1.9
241.08614	8.0
245.08061	3.6
251.07030	1.8
254.05913	2.1
255.06554	2.8
257.07999	3.9
260.08368	2.4
263.06931	2.9
265.05048	1.7
268.07504	2.1
269.08176	6.4
271.06122	5.0
276.07962	2.0
277.08542	3.8
283.06525	1.7
283.09653	3.0
287.05435	8.1
289.10861	3.4
291.10175	2.2
295.09674	5.3
297.07632	2.5
301.10791	7.0
307.09705	4.9
309.07816	2.4
313.10709	3.5
314.07568	2.5
315.12524	2.0
320.10535	2.0
321.11273	3.9
323.09174	3.0
325.10739	2.5
327.12216	2.4
329.10254	15.9
331.11914	4.3
337.10889	2.2
339.12436	3.6
349.10974	2.7
349.17618	7.1
351.12350	4.7
353.10001	2.3
353.13928	3.1
355.11865	4.8
363.12592	2.7
363.22156	1.8
367.11810	2.9
368.12491	2.0
369.13364	4.8
371.14877	2.4
373.13242	3.4
379.11731	2.4
381.13409	6.3
383.10770	2.4
383.15274	3.4
385.12949	3.8
387.13791	2.9
398.10733	3.7
399.14441	6.2
411.14548	5.5
411.59775	2.3
423.14587	2.7
429.15393	2.4
441.15500	5.5
459.16510	23.8
535.19781	6.0
547.19916	7.8
553.20721	9.9
565.20660	20.2
583.21393	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.3
63.72142	0.2
69.20004	1.8
69.20422	0.6
79.05453	0.3
91.05466	0.5
93.07060	0.3
94.06521	0.3
106.06519	0.8
118.06554	0.3
120.08066	0.4
121.06461	0.8
132.08133	0.3
134.06033	0.4
145.07556	1.1
145.10071	0.3
146.06004	0.4
154.98209	0.3
159.09129	0.4
166.08620	0.4
167.07269	0.5
168.08047	0.4
169.07614	0.4
169.08881	0.3
170.09645	0.3
172.07526	0.4
174.09135	0.4
181.08940	0.3
182.08257	0.4
182.09654	1.4
183.09155	1.1
183.10538	0.3
186.09146	0.3
187.08676	0.4
191.07280	0.3
193.07571	0.3
194.08356	0.7
195.09138	2.6
196.09819	1.7
196.11462	0.4
197.06963	0.3
197.10764	1.6
199.12273	0.7
201.10132	0.3
204.08897	0.8
207.09048	0.3
208.09853	0.6
209.10745	16.1
210.09419	0.4
210.11488	7.2
211.08638	1.7
211.12244	0.9
212.09367	0.9
212.12971	0.6
213.10147	0.8
215.11855	0.3
223.08612	0.8
223.12263	2.0
224.09367	0.6
225.10239	4.0
225.13837	0.9
226.10991	1.1
227.11798	3.2
229.09647	0.3
229.13536	0.3
235.08574	0.3
236.09160	0.4
236.11095	0.4
237.10237	7.4
238.10992	7.9
239.11827	2.8
240.08739	0.3
240.12543	1.0
241.09644	0.3
241.13345	0.6
243.11133	0.3
249.10199	0.3
250.11086	0.4
251.11829	3.6
252.12654	0.9
253.09775	0.9
253.13368	2.8
254.10501	0.5
255.11296	1.3
257.12967	0.6
267.11227	0.6
269.12881	8.8
270.09930	0.6
271.10767	2.1
271.14410	1.0
272.11594	0.2
279.11307	2.4
281.12744	0.4
283.10764	0.6
284.11636	0.9
285.12372	1.5
286.13330	0.5
295.10770	0.5
297.12350	87.2
298.12668	0.9
299.13965	6.3
301.12128	0.4
302.13031	0.6
314.13034	0.6
315.13840	0.5
316.14511	1.1
317.15353	0.3
328.14627	0.7
330.15979	1.4
342.15903	0.7
343.16800	0.6
344.17593	0.8
346.19467	0.3
356.17813	0.4
370.15359	0.4
376.16379	0.3
388.16315	0.5
390.15811	0.4
391.15964	0.4
402.18259	0.6
405.17834	0.5
406.19009	0.6
407.19070	0.7
420.15930	0.8
420.20749	0.4
421.16714	0.9
433.16556	0.7
434.17868	0.7
435.18207	2.7
436.18866	0.5
437.19855	0.3
447.17694	0.3
448.19196	0.5
449.19772	1.3
450.20984	1.2
450.47137	0.2
451.21362	1.4
463.21335	1.0
465.23013	2.2
491.20447	0.3
495.20438	0.7
505.22708	0.6
509.21921	0.8
523.23566	1.3
524.24084	0.3
539.26923	0.3
555.26263	0.5
565.24396	1.3
566.22919	0.3
583.25537	100.0
584.26038	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87031	0.4
55.05484	0.4
63.49057	0.4
67.05478	0.5
71.56687	0.4
71.57136	0.6
72.99406	0.4
79.05504	0.7
81.07053	1.1
88.17496	0.4
91.05488	1.1
93.07055	0.8
95.08605	0.6
95.80711	0.4
96.45250	0.4
105.07040	0.7
119.08623	0.5
121.06555	0.5
144.08084	0.4
145.07541	0.4
145.10091	0.7
164.07072	0.6
171.10390	0.9
172.11288	0.8
180.95587	0.6
183.09517	0.5
186.09209	0.6
197.10703	0.5
204.10265	1.5
206.23120	0.4
208.09880	0.8
209.10736	0.5
213.10281	1.7
216.10242	2.4
217.11060	0.5
220.10008	0.5
221.10750	0.8
223.12595	1.0
225.10152	0.5
227.11865	0.9
230.11758	4.1
231.11298	0.6
232.13435	0.7
235.08636	0.6
235.12305	0.7
236.09590	0.5
236.11711	0.6
237.12585	0.5
242.10449	1.3
245.10483	2.2
246.11313	1.2
249.10408	0.5
250.09694	0.7
250.13445	1.1
251.11848	4.3
252.15027	1.4
258.11319	1.5
260.11685	0.8
261.14139	0.7
263.11838	0.9
264.11472	1.4
265.12207	1.5
276.11847	0.7
278.12875	1.3
280.14462	7.0
283.10831	0.7
290.13107	0.8
291.13718	0.7
292.14505	0.8
294.12366	0.8
296.14017	1.8
300.11349	0.4
301.11923	0.9
304.11810	13.0
304.15170	0.7
306.15988	3.1
307.16821	1.2
314.12985	1.6
315.13766	0.6
316.14798	0.6
319.12848	3.6
326.13019	0.8
327.13547	0.7
328.14432	2.0
329.15372	0.8
330.16135	1.0
331.13089	0.5
339.14618	0.5
341.15598	0.9
342.16010	2.4
343.13022	2.7
343.16949	1.2
345.14963	0.6
354.16122	0.5
356.17596	4.1
358.19476	0.8
366.16098	0.9
372.13309	1.4
373.14273	0.8
374.14804	3.9
384.17023	0.7
386.15082	0.6
387.15735	4.1
389.17706	0.6
399.44891	0.5
402.18240	8.2
403.19205	0.7
404.17776	0.5
407.18903	0.9
409.20331	0.6
415.18970	0.6
421.20663	1.1
435.17966	1.0
436.18958	1.5
448.19803	0.7
449.19745	1.4
481.22311	2.6
492.18631	0.6
495.20303	1.0
506.20880	0.9
507.20981	0.7
509.22018	2.0
521.24951	0.6
523.23322	0.9
553.20544	1.0
565.24536	1.6
566.22980	0.9
568.22925	2.7
583.25543	100.0
584.26117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31539	1.1
53.03944	3.5
55.01860	2.8
55.05507	8.7
55.97061	1.0
57.03430	1.3
57.07066	3.3
59.05012	1.4
60.80890	1.1
62.41018	1.0
65.03941	1.6
67.05505	31.5
69.03428	10.5
69.07072	7.5
70.72702	2.3
70.73078	2.3
71.05003	6.2
74.62224	0.9
79.05489	13.0
81.03420	13.1
81.07058	26.7
83.04993	6.3
83.08631	5.8
85.02918	8.0
85.06544	14.6
85.15894	1.0
86.09713	1.0
91.05486	13.7
92.60568	1.0
93.07047	18.0
95.04977	6.0
95.08609	100.0
97.02892	6.8
97.06554	6.8
97.10161	2.0
98.21550	1.1
99.04456	2.1
99.08106	1.8
103.05479	1.3
105.07031	16.6
107.04955	2.7
107.08598	13.9
109.02869	7.9
109.06555	5.6
109.10143	6.6
110.60354	1.2
111.04474	1.8
111.08084	2.9
113.05999	7.7
115.05433	1.5
117.07023	3.5
119.04947	1.5
119.08581	26.5
121.06495	5.3
121.10139	12.3
123.04483	1.2
123.08068	32.0
123.11713	2.5
127.03916	11.6
128.06154	1.3
129.06990	1.8
131.04897	1.3
131.08588	5.3
133.06493	4.3
133.10115	10.4
135.08043	3.7
135.11684	17.8
137.05995	3.8
137.09636	4.0
137.13277	3.5
139.07550	2.0
141.07068	0.9
143.08595	2.4
145.10121	3.3
147.08049	4.5
147.11702	10.3
149.09622	47.8
151.07562	8.8
151.14854	4.3
155.08611	1.2
156.09306	2.1
159.08070	2.7
159.11728	2.5
161.09653	1.5
161.13263	26.7
163.03860	1.2
163.11197	7.4
165.09073	2.6
165.12759	5.6
167.07089	1.7
171.11737	4.7
173.11815	1.3
173.13222	2.3
174.10445	2.7
177.05457	2.5
177.12823	1.5
179.14316	13.1
181.04895	1.1
189.12740	32.6
191.14311	6.0
197.15440	3.9
207.13805	88.2
209.15390	1.2
211.13205	1.3
219.13741	1.7
225.14938	3.4
227.14311	1.3
233.15428	1.5
237.14819	2.1
245.15424	1.3
249.14812	1.4
259.16727	1.0
263.16528	2.4
277.17957	2.5
287.16324	5.4
305.17523	16.6
323.18500	34.5
341.19678	16.8
359.20795	1.2
547.33484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3611
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
55.05507	2.4
57.03428	1.3
65.70339	0.5
67.05508	6.8
69.07058	2.5
69.24645	2.9
69.25068	2.5
71.05003	0.8
77.23271	0.6
79.05499	3.1
81.07061	7.8
83.08614	1.2
85.06495	0.6
85.54100	0.6
89.06008	0.9
91.05489	2.3
93.07061	4.8
95.04970	0.7
95.08598	5.2
97.06551	0.7
105.07038	1.7
107.08591	2.1
109.10130	2.1
116.59818	0.6
117.07080	0.8
119.08559	1.7
121.10197	2.8
123.11729	1.3
131.08577	0.9
133.10114	1.4
135.11690	1.3
145.10146	0.8
147.11639	1.0
159.11664	1.2
163.11282	0.9
187.14777	0.6
249.10991	30.7
305.13629	2.9
316.75388	0.6
335.25674	1.7
345.25632	0.7
358.82315	0.7
583.35999	100.0
584.36292	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64040	2.2
53.03936	4.1
54.18969	2.5
55.01866	4.8
55.05519	36.6
57.03438	2.7
57.07067	5.9
65.03938	3.7
67.05510	99.7
67.05872	4.7
69.03433	3.0
69.06720	3.4
69.07073	45.7
69.58936	15.7
71.04992	12.3
79.05067	2.8
79.05501	50.1
81.07064	100.0
83.04979	8.4
83.08623	24.7
85.06547	12.2
91.04961	3.0
91.05490	36.6
93.07054	77.1
95.04979	4.3
95.08617	72.5
96.39569	2.3
97.06539	11.5
97.10168	23.7
99.08089	10.2
105.07032	32.0
107.08607	52.8
109.06526	7.3
109.09474	2.9
109.10169	43.8
111.08075	5.9
111.11771	3.7
113.09653	2.8
114.86310	2.0
117.07016	8.0
119.07893	2.7
119.08598	25.3
121.06465	2.7
121.09333	4.1
121.10156	64.7
123.08083	2.9
123.11723	12.7
125.09637	13.5
129.06995	3.6
131.08583	15.8
133.10132	27.6
135.10684	3.3
135.11702	49.4
136.93088	5.9
137.09624	3.5
137.13248	4.3
138.72040	2.7
139.11201	5.1
141.09129	2.4
143.08525	4.3
145.10118	15.1
147.11723	21.9
149.09598	2.7
149.13283	15.5
151.11119	4.1
153.12747	2.5
154.94118	5.7
157.10057	3.4
159.11723	11.6
161.13293	12.8
163.11218	5.2
171.10280	3.1
171.11674	10.3
172.95236	6.2
173.11868	4.6
173.13257	8.3
175.14810	7.6
178.96552	2.2
180.23181	2.2
181.12236	4.0
185.13274	8.5
189.11172	5.4
195.13741	4.0
199.14845	2.8
209.15381	2.3
217.19504	5.9
228.97795	3.0
235.20590	11.3
241.19507	10.2
253.21602	6.3
257.18823	3.5
259.20584	29.8
266.30640	2.2
277.21640	71.3
295.22696	32.2
313.20245	2.9
405.29910	3.6
407.31229	3.8
445.36664	2.6
455.56522	2.8
475.39954	3.3
493.40549	13.6
511.41623	34.3
523.23309	9.2
529.42450	34.5
547.43646	35.3
565.44940	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	583.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01867	5.3
55.05522	34.7
57.07093	4.3
67.05513	81.5
67.05874	4.0
69.06723	3.0
69.07079	43.3
71.04990	13.3
71.39764	3.2
73.06564	2.2
79.05504	50.9
81.07066	86.1
83.04983	5.5
83.08633	24.0
85.06546	16.7
91.05492	27.9
93.07056	68.1
95.05002	3.8
95.08619	68.6
97.06528	10.2
97.10172	22.1
99.08113	18.4
105.07034	23.3
107.04992	2.3
107.08607	43.7
109.06513	3.2
109.09449	3.1
109.10168	37.9
111.08076	6.8
111.11740	5.4
113.09669	3.9
115.07583	3.0
117.07014	7.7
118.33212	2.1
119.08587	26.1
121.06542	3.0
121.10164	63.3
123.08022	2.2
123.11757	11.3
125.09650	17.2
125.13297	2.9
129.06956	2.7
131.08604	9.5
132.75014	1.9
133.10152	23.6
135.11705	53.6
136.93156	4.7
137.09599	3.9
137.13281	5.9
139.11179	9.5
143.08551	2.5
145.10143	11.8
147.11726	15.8
149.09648	3.8
149.13271	15.5
151.11217	3.2
151.14871	2.1
153.12756	2.2
154.94208	5.2
155.10675	2.3
157.10155	3.0
159.11705	6.6
161.13272	12.7
163.11194	4.7
163.14848	4.2
165.12862	3.2
171.11754	3.4
172.95305	10.9
173.11801	4.5
173.13216	4.1
175.14830	5.6
177.12845	3.4
179.14334	3.5
181.12279	6.1
185.13283	2.5
189.11255	6.6
190.96342	3.4
193.15971	2.7
193.19540	2.0
195.13867	6.1
203.12810	4.0
210.96753	2.7
213.16530	2.4
217.19554	7.4
221.15469	2.7
228.97874	4.9
235.17024	2.0
235.20677	12.0
241.19560	7.6
242.21828	1.9
246.98921	2.5
253.21616	12.1
259.20642	20.9
262.58685	1.9
271.22577	2.9
277.21667	100.0
295.22729	89.9
313.23761	32.4
511.41089	1.9
523.23633	12.1
529.41693	2.1
565.44983	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
56.96557	1.2
57.07074	4.1
59.77696	1.0
67.05505	1.4
69.03439	1.6
69.07053	1.6
70.06591	5.2
71.08619	1.1
71.32148	1.2
81.07076	2.3
82.80754	1.1
85.02896	1.7
88.07644	7.7
91.05493	3.5
93.07050	2.3
95.08625	2.1
97.02883	2.5
98.97625	1.6
99.03814	1.0
102.09167	2.3
103.05531	1.1
105.07027	2.6
105.11216	1.2
106.08675	2.8
107.08571	2.5
109.10106	1.8
119.08582	3.1
121.06501	2.6
131.08574	1.4
133.10173	1.5
135.11742	1.7
137.06006	2.3
138.05667	1.2
140.73332	1.3
147.65813	1.1
163.03992	1.7
165.09157	1.3
177.05508	2.5
187.14977	1.3
194.94359	1.1
196.08105	1.4
214.52202	1.2
256.26239	3.0
266.64450	1.4
274.27426	100.0
300.78467	1.2
520.31738	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01968	0.3
53.03954	1.1
63.40368	0.3
67.05537	0.8
69.03446	1.0
71.04998	0.3
71.55864	0.4
73.21687	0.3
79.05472	0.6
81.03424	0.8
81.07056	0.5
85.02912	2.5
91.05493	1.3
95.04971	15.7
97.02895	1.9
98.97619	0.4
105.03424	0.6
105.04515	0.4
109.02905	2.8
109.06524	0.7
114.79874	0.3
119.04957	1.4
121.06519	0.5
123.04434	6.7
127.03934	1.5
133.02859	0.8
135.04529	0.3
137.06003	1.7
145.04977	1.3
146.05991	0.4
147.04422	1.7
151.03909	55.9
163.06097	0.5
165.05481	100.0
175.03902	0.9
178.08522	0.4
183.06505	2.0
193.04985	6.9
207.06529	3.9
208.09714	1.1
211.06047	4.5
220.09622	0.4
222.11252	1.4
225.07585	27.1
236.78983	0.3
243.08664	3.9
259.05975	1.1
266.10263	1.1
273.07596	0.7
280.91278	0.3
282.09616	0.3
295.07944	0.4
301.07019	0.6
344.14780	0.9
355.10318	0.6
369.12006	1.6
387.12692	1.4
453.01434	0.4
472.72134	0.3
584.23322	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	584.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
61.02919	0.5
67.05516	1.6
69.03430	1.3
70.06596	1.0
71.58897	0.5
72.08160	0.5
77.03951	0.5
79.05508	0.8
85.02914	5.1
91.05481	3.4
95.01348	0.5
95.04974	32.9
97.02905	2.9
103.03950	1.2
109.02898	1.4
109.06539	0.9
119.04961	4.4
121.02859	0.8
121.06485	1.6
123.00768	2.9
123.04438	14.0
127.03910	1.8
133.02814	0.6
135.04475	0.7
137.06010	3.8
139.03972	0.5
145.02882	0.9
145.04997	1.3
147.04401	5.1
151.03915	89.8
155.03400	0.7
155.88968	0.5
163.03972	0.6
165.05487	100.0
167.07069	0.7
169.04982	0.8
173.04512	0.7
175.03903	3.1
175.07582	0.6
177.05528	1.1
183.06529	2.8
187.07503	0.6
193.04984	14.5
207.06511	5.8
211.06038	18.7
225.07597	48.1
238.10945	0.7
243.08672	21.0
315.07373	0.8
345.16364	0.6
369.11807	0.6
385.41962	0.5
387.12668	1.5
584.22485	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83519	0.1
53.03947	0.4
55.01867	0.8
56.38592	0.1
57.03430	0.3
65.03934	0.2
67.05507	0.3
69.03434	0.5
70.77463	0.4
77.03931	0.2
79.05492	3.7
81.03441	0.2
81.07055	0.4
85.02898	1.4
91.05479	2.3
93.07050	0.4
94.04204	0.1
95.04971	0.6
95.08589	0.1
97.02890	0.5
103.05471	2.8
104.06261	0.4
105.07034	17.6
107.04957	2.4
107.08607	0.3
109.02829	0.2
109.06515	0.6
109.10118	0.2
115.05437	1.2
117.07011	0.6
118.04177	2.1
119.04948	0.6
119.08589	0.2
120.05714	0.7
120.87547	0.1
121.06500	1.3
122.03654	0.4
122.07305	1.1
124.05199	0.7
127.03942	0.3
131.04936	0.4
132.05702	0.7
133.06496	14.9
134.07260	0.8
135.04419	0.9
135.08057	2.1
137.05980	6.2
137.09605	0.2
145.02914	0.2
145.04988	0.2
147.04381	0.2
148.05202	0.8
149.05960	0.5
150.06769	6.7
151.07564	0.3
161.05986	0.3
162.07596	0.5
163.03951	0.2
163.07553	0.6
165.09116	13.1
175.07504	0.3
177.05493	0.6
178.06285	1.0
180.08690	0.5
193.08609	100.0
194.09116	0.5
195.10207	0.8
209.08006	0.2
210.47446	0.1
211.09673	0.2
238.14247	0.1
280.11099	0.1
334.77698	0.1
355.15295	0.7
421.09207	0.1
548.05060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2708
Annotation	kirkinine D
Peak:m/z	Relative Intensity
53.03941	0.3
56.96576	0.3
57.07070	0.8
58.15859	0.2
58.97843	0.3
61.34163	0.3
67.05500	0.7
71.56780	0.3
71.57149	0.5
73.02885	0.3
79.05499	0.3
81.07059	0.4
84.08147	1.1
85.02924	0.4
86.09737	0.3
86.76936	0.3
91.05500	0.9
93.07047	0.7
94.06571	0.5
95.04984	0.5
97.02920	0.4
100.97057	0.3
103.05455	0.5
105.04500	0.3
105.06994	0.4
106.82323	0.3
107.08550	0.3
108.08124	0.3
108.76250	0.3
112.11269	0.3
116.21311	0.3
118.06609	0.3
119.08588	0.4
120.08118	0.7
121.06509	5.1
122.06052	0.3
122.06869	0.3
124.07616	0.7
124.69710	0.3
134.09705	0.3
136.07625	0.6
138.09161	0.2
146.06044	0.5
148.88580	0.3
152.07069	0.3
158.09685	0.4
160.07574	0.5
162.44736	0.3
164.07066	1.4
166.08591	1.6
167.07437	0.3
170.09677	0.4
180.10190	0.4
183.09242	0.7
189.10226	0.4
196.09882	0.5
197.10754	2.0
198.11530	0.5
199.08557	0.3
209.10712	2.6
210.09630	0.4
210.11464	1.5
211.08702	1.1
211.12276	2.0
212.09340	0.6
212.13145	0.9
213.10214	1.4
223.12350	0.6
224.09344	0.7
225.10216	2.6
225.13905	0.5
226.10913	1.4
227.11801	2.3
229.13362	0.5
231.11388	0.5
237.10196	2.4
237.13841	0.3
238.10989	2.0
239.11818	3.4
240.10442	0.4
240.12556	1.8
241.09776	0.5
241.13431	0.9
242.10498	0.6
243.11374	0.6
249.10228	0.3
251.11792	1.1
252.12517	0.3
253.09729	0.4
253.13498	1.9
254.11893	0.3
255.11414	0.8
255.14804	0.6
256.12122	1.0
257.12729	0.5
267.11420	0.4
269.12851	2.5
270.13699	0.4
271.10855	1.2
271.14465	3.4
272.11600	0.5
273.12491	0.6
279.11276	0.4
281.12869	0.6
283.10834	1.8
283.14307	0.6
284.11499	1.6
285.12357	1.9
286.13071	1.4
287.13785	0.5
297.12357	15.0
298.12946	1.8
299.13925	17.2
301.12143	0.9
301.15527	0.7
302.13086	1.2
302.16315	0.4
303.13968	0.5
304.14542	0.4
309.12347	0.3
314.13049	0.5
315.13776	1.0
316.14417	2.6
317.15265	1.0
318.16171	0.4
328.14542	0.7
329.15283	0.4
330.16049	2.9
331.16879	2.4
332.17624	0.9
340.15393	3.9
340.65524	0.5
342.16074	0.4
343.16772	0.6
344.17596	4.9
345.18411	0.7
346.19189	1.4
360.13528	0.4
360.20816	1.7
370.15494	0.4
372.17322	0.5
374.14908	0.6
375.15839	0.6
376.16458	0.8
377.17453	0.3
386.18863	0.4
388.16418	0.6
390.18085	3.4
390.22250	0.3
400.16696	0.4
402.18329	0.4
403.18909	0.6
404.19669	3.5
405.20319	3.5
414.18314	0.3
416.19919	0.5
422.17651	0.3
423.18127	0.6
432.19409	1.7
434.17343	1.0
436.18988	0.4
437.19772	1.0
438.20825	0.4
443.20624	0.3
448.18680	3.0
450.20322	0.7
451.21460	0.7
452.22379	0.5
453.22644	0.5
462.20270	2.7
463.21057	1.0
467.24301	0.9
497.21957	0.9
507.24182	0.4
511.23767	0.7
525.25110	0.9
567.26550	0.4
568.24689	0.3
585.27112	100.0
586.27057	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08996	0.3
55.05512	0.8
57.03435	0.5
67.05510	2.5
67.05810	0.5
69.07066	1.4
71.57710	0.5
79.05495	1.9
81.01488	0.4
81.07063	3.7
83.08615	0.7
91.05489	1.6
93.07042	2.7
95.04994	0.6
95.08609	2.0
97.06548	0.4
105.07056	1.5
107.08635	1.8
109.10146	0.9
117.07086	0.5
119.08606	1.1
120.87170	0.4
121.10146	0.9
131.08571	0.7
133.10115	0.9
135.11778	0.9
145.10193	0.5
147.11732	0.4
149.13272	0.9
159.11708	0.4
193.40733	0.4
235.13069	2.9
291.15643	2.2
299.19775	0.4
317.21011	3.4
373.23624	3.1
582.75616	0.4
585.37646	100.0
586.38123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.05515	23.7
57.03429	3.4
57.07075	6.9
62.82517	1.5
65.03942	2.5
67.05508	80.6
69.03443	2.0
69.06721	2.3
69.07069	33.0
69.61426	5.2
69.61835	4.8
71.04989	4.9
71.08627	2.6
73.87510	1.6
79.05491	32.2
81.07059	100.0
83.04980	6.2
83.08618	19.0
85.06559	6.8
86.37069	1.3
91.05484	19.1
93.07051	40.6
94.56882	1.6
95.04996	3.0
95.08609	89.7
97.06525	11.5
97.10177	13.7
99.08111	3.7
105.04452	1.6
105.07034	16.9
107.08604	27.8
109.06496	1.8
109.10160	46.9
111.08090	6.6
111.11726	6.3
117.07027	4.6
119.08598	19.1
121.10146	39.8
123.08056	4.4
123.11707	20.4
125.09610	3.5
131.08597	10.9
133.10136	13.6
135.08052	2.7
135.11703	29.8
136.08369	1.7
137.09627	3.4
137.13258	7.2
139.11191	3.7
145.10149	11.3
147.11693	13.5
149.13263	9.4
151.11180	2.6
151.14876	2.2
159.11702	5.3
161.13235	9.6
163.14790	3.4
165.12779	4.3
169.10136	1.5
173.11844	2.6
173.13272	5.9
175.14874	3.3
177.16321	2.0
179.14331	5.1
187.14804	4.3
209.15421	1.6
217.19543	7.3
227.18013	1.7
233.19087	2.7
235.20601	14.7
243.21133	8.1
253.21683	7.9
261.22107	17.4
279.23203	73.5
297.24240	24.0
477.40555	1.6
495.41733	11.4
513.43054	25.4
531.44092	32.4
549.45184	36.0
567.46356	36.3
585.56024	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19042	1.3
53.03940	4.2
55.01871	2.8
55.05267	1.8
55.05516	29.3
56.73089	1.2
57.03439	3.0
57.07073	6.7
57.24572	1.3
65.03928	3.4
67.05509	84.6
69.07074	41.7
70.10561	3.9
70.24656	1.3
71.04994	5.4
71.08624	2.2
73.06573	1.6
78.71432	1.1
79.05497	34.6
81.07063	100.0
83.04983	3.1
83.08633	21.9
85.06546	6.2
91.05488	20.8
93.07056	39.8
95.04968	3.7
95.08614	93.2
95.58011	1.4
97.06519	9.7
97.10181	18.2
99.08112	3.6
105.07034	16.0
107.08601	30.0
108.14000	1.2
109.06544	3.5
109.10168	48.3
110.75631	1.2
111.08095	5.2
111.11721	6.0
113.09596	1.3
117.07053	3.8
119.08585	21.8
120.22160	1.3
121.09309	2.4
121.10152	36.4
123.08091	2.9
123.11706	17.7
125.09618	4.8
125.13304	1.6
131.08588	9.2
133.10121	17.8
135.08051	2.4
135.11702	32.6
137.09602	2.6
137.13264	11.0
139.11192	4.7
139.72668	1.2
145.10107	9.5
147.11725	12.9
149.09669	1.7
149.13283	9.5
151.11180	3.8
151.14793	2.5
153.12737	2.7
159.11702	6.8
161.13266	13.1
163.11226	2.2
163.14822	4.2
165.12842	2.5
173.11871	1.8
173.13292	6.2
175.14824	4.5
177.12790	1.7
177.16402	3.1
179.14310	4.1
183.13643	1.5
187.14865	4.4
191.14330	1.7
193.16003	1.5
195.13913	1.8
209.15482	1.9
215.17880	2.5
217.19536	9.1
223.16989	3.4
233.19014	3.1
235.20631	15.3
243.21086	9.7
251.20171	1.4
253.21632	9.5
261.22171	23.4
271.22684	2.0
279.23203	91.9
280.23587	1.4
281.21106	1.4
297.24271	36.5
344.44324	1.4
391.90741	1.5
442.37814	1.4
477.41010	3.0
495.42017	8.9
513.43127	25.5
519.66595	1.3
531.36475	2.3
531.44092	34.9
549.45184	10.4
567.46161	4.0
585.37695	4.0
585.46924	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	585.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01263	1.2
53.03933	2.3
55.01896	1.4
55.05259	2.1
55.05514	27.5
57.03448	1.8
57.07077	5.4
65.03946	1.8
67.05508	69.7
69.07072	38.6
69.26819	13.4
71.05005	7.9
79.05502	25.1
81.07062	98.1
82.07393	2.0
83.04981	5.1
83.08626	27.0
85.06558	7.4
91.05483	18.4
93.07050	30.5
95.04950	2.1
95.08611	86.9
96.08970	1.5
97.06544	9.9
97.10182	17.8
99.08103	3.8
104.25262	1.5
105.07035	14.4
107.08602	22.7
109.06543	1.4
109.10163	50.3
111.08097	5.0
111.11730	6.4
117.07008	1.6
119.08582	15.8
121.10151	29.3
123.08060	3.4
123.11702	20.8
125.09632	2.9
125.13275	3.1
131.08588	7.9
133.10132	14.7
135.07986	1.9
135.11705	24.0
137.09622	3.5
137.13251	11.3
139.11198	3.2
141.12741	5.2
145.10100	9.6
145.73703	1.4
147.11694	15.1
149.13274	9.5
151.11208	3.7
151.14847	3.0
153.12772	3.2
155.10678	1.7
156.44659	1.3
159.11710	5.9
161.13245	11.4
163.14853	3.9
165.12773	8.8
167.14325	1.5
169.12219	1.2
173.11833	2.7
173.13301	3.4
175.14818	4.4
177.16432	1.7
179.14349	6.5
183.13785	2.2
187.14850	4.2
193.16008	1.6
195.13742	2.0
197.15311	1.9
209.15424	2.5
217.19521	7.4
223.16893	2.8
235.20531	11.0
243.21072	8.2
253.21617	11.4
261.22186	20.5
271.22678	4.9
279.23209	100.0
295.22818	1.9
297.24255	66.4
300.04517	1.3
315.25351	6.8
350.54300	1.3
367.48096	1.6
513.42041	2.1
531.43433	2.6
567.46216	62.1
583.53479	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03947	1.0
55.01872	0.2
60.35851	0.1
61.54073	0.1
69.26450	1.3
69.76489	0.1
77.03913	0.2
78.72874	0.1
91.05482	3.9
93.07046	5.7
95.04958	1.0
103.05475	4.1
105.04507	0.4
116.68472	0.1
121.06506	100.0
122.06832	0.4
123.00835	0.2
137.05960	0.2
149.02330	0.5
151.00443	0.1
163.03947	0.4
167.03430	0.9
181.04893	0.2
191.03375	0.4
209.04527	0.7
287.09439	0.1
329.10223	0.4
389.12054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.6
66.04676	0.4
66.98573	0.4
67.05492	1.0
68.99795	2.0
69.77963	0.3
70.06581	0.4
72.23832	0.3
79.05479	1.5
81.03428	0.9
81.07047	1.2
84.52969	0.3
91.05501	1.7
93.07057	0.4
93.11208	0.3
94.04186	0.5
95.04964	2.5
97.02902	0.9
107.04948	1.2
109.06516	1.3
117.19861	0.3
117.99577	0.3
119.04965	1.1
121.06496	0.4
122.03630	1.4
123.04384	1.0
125.87366	0.3
127.03825	0.3
135.04445	0.5
137.05984	28.6
145.02853	0.9
147.04424	1.8
148.04665	0.7
149.05966	0.6
151.03908	7.8
153.05504	0.4
165.05484	100.0
166.05794	0.4
167.03400	0.3
167.07048	0.9
175.03955	0.4
177.05479	1.3
181.05106	0.4
183.06540	0.7
191.03447	0.5
191.07007	0.6
193.04932	0.8
207.06578	0.8
211.06006	0.5
225.07607	4.8
287.05493	0.6
301.48978	0.3
315.08667	1.2
347.11319	1.2
357.09625	0.6
375.10739	3.5
389.12228	1.1
587.17542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01877	0.5
59.83511	0.5
67.05497	1.8
69.03433	6.8
71.04997	1.0
71.57052	0.8
77.03905	0.5
79.05478	0.7
81.03429	1.2
81.07034	0.6
83.04977	1.6
84.08130	0.7
85.02907	3.3
91.05512	1.0
91.55920	0.6
95.04980	30.3
99.04446	1.5
99.46661	0.5
101.66408	0.5
105.03309	0.7
109.06531	0.6
111.04451	2.0
119.04953	1.7
121.06507	0.7
123.04447	11.2
127.69215	0.7
129.05478	3.0
133.02844	1.1
135.04393	0.7
137.05966	1.8
147.04332	1.8
147.06512	2.3
151.03915	50.5
165.05489	100.0
166.05884	0.8
169.04979	1.1
175.03906	1.9
175.06042	0.8
177.53535	0.5
178.98412	0.7
179.00172	0.5
183.06548	13.8
189.07610	0.8
193.04971	8.0
203.84105	0.6
207.06583	3.3
211.05997	2.4
225.07582	12.3
269.10092	0.8
297.09979	0.7
321.09415	0.7
339.10715	4.9
349.56387	0.7
353.12363	6.0
357.11768	2.0
371.13403	10.0
389.14444	5.0
528.16058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.7
53.03939	2.5
55.01868	2.6
65.03935	2.7
69.03439	1.6
70.90085	1.9
75.04491	3.5
78.04702	2.5
79.05496	2.3
81.03432	1.5
83.18645	0.7
85.02900	4.1
89.03931	0.8
89.06013	0.7
91.05486	12.8
93.03414	10.8
93.07066	4.7
95.04984	4.8
95.97469	0.7
97.02898	0.9
97.06512	2.6
103.05467	9.0
105.04498	1.0
105.07033	2.7
106.04186	28.7
107.04961	2.0
108.05770	0.7
109.06482	0.8
117.03423	0.8
119.04944	2.9
121.06517	30.0
122.03650	0.8
123.08042	0.9
125.05995	8.9
127.03884	1.5
131.04945	8.5
133.06490	2.1
134.03651	3.2
135.04381	1.2
135.08141	0.8
137.05981	18.1
138.06754	1.4
139.07544	3.3
145.02858	0.7
145.05020	0.9
147.04410	3.0
148.05182	2.2
149.05991	46.0
151.03905	0.7
151.07561	2.6
152.08279	0.9
153.05450	1.7
153.09122	10.5
161.05991	2.7
163.07555	12.8
165.05534	0.6
165.09093	2.0
166.06290	1.4
174.06897	0.7
174.75682	0.6
175.07480	0.9
177.05478	21.6
179.07063	3.5
181.08603	19.1
187.07576	0.8
189.09059	0.6
191.07021	2.4
193.08646	2.6
205.08678	0.8
209.08105	100.0
217.08647	1.4
223.09627	1.1
236.58534	0.6
305.74954	0.7
339.12329	5.7
341.13467	1.1
355.15439	1.3
371.14746	1.7
373.16418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01860	1.1
67.05492	0.7
69.03419	0.6
69.07071	10.4
71.08606	0.5
71.58854	0.6
81.07036	1.1
85.02909	0.3
86.09697	0.8
88.04002	2.4
90.05558	11.7
91.05475	1.6
93.07044	1.8
95.04967	0.7
95.08605	0.8
95.15786	0.3
97.02869	0.7
97.06528	1.9
98.06056	4.8
103.05457	1.9
105.07005	0.8
107.08598	0.7
109.06522	0.4
109.10197	0.5
115.49237	0.3
119.04919	0.7
120.04452	0.4
121.06516	9.9
121.10149	0.4
126.05469	0.6
131.08569	0.4
135.11694	0.4
137.05981	1.3
140.10765	1.6
140.11688	0.4
144.06532	0.7
145.02861	0.8
145.10170	0.4
147.04463	0.6
147.11681	0.4
148.03946	1.0
151.06316	1.0
152.07094	1.6
161.29253	0.3
163.03851	0.3
163.14758	0.3
164.07079	1.5
166.04988	3.7
170.11803	0.9
175.14772	0.3
177.05434	0.8
178.08627	0.5
180.06560	58.2
186.11227	0.7
194.08165	0.7
197.08186	0.4
208.06027	1.1
222.07614	17.1
287.05438	0.4
319.16577	1.3
351.15411	1.2
361.17523	1.4
365.17096	17.6
379.18381	0.3
391.18463	0.7
393.16489	2.0
407.18124	100.0
408.18146	1.0
426.75735	0.4
471.21310	0.6
495.11945	0.4
513.22296	9.6
543.31390	0.6
545.25427	0.7
587.25171	1.6
587.30542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
55.05512	0.8
67.05510	1.1
67.54625	0.5
69.03434	0.7
69.07077	11.1
70.02953	0.8
71.58723	0.7
81.07053	1.7
84.08138	0.5
85.02928	1.4
86.09710	1.9
88.04012	2.9
88.42841	0.5
90.05040	0.9
90.05566	11.3
91.05485	2.1
93.07047	2.4
95.08622	2.0
97.06557	2.6
98.06058	5.2
98.09697	0.5
98.97598	0.9
103.05468	1.3
105.07029	0.9
107.08582	1.4
109.10165	0.8
112.11250	0.6
119.08583	1.4
121.06512	9.7
121.10143	1.2
126.05573	0.8
133.10143	0.6
135.11703	1.3
137.06027	1.6
140.10689	1.3
144.06526	0.7
145.02896	0.6
145.10091	0.8
148.03931	0.8
151.06325	0.9
152.07095	2.1
158.11752	0.6
159.11737	0.6
164.07083	2.7
165.09163	0.5
166.05011	4.1
175.14780	0.8
178.08620	1.3
180.06575	60.0
185.13399	0.7
189.16449	0.9
190.05054	0.5
194.08188	0.8
208.06100	1.1
222.07646	16.3
319.16632	1.5
349.17776	0.6
351.15439	1.3
361.17773	1.3
365.17114	17.3
391.22488	0.7
393.16647	2.4
407.18161	100.0
513.22516	9.5
527.23376	0.7
545.24554	0.7
569.38525	0.6
583.32141	0.6
587.26337	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.2
54.54028	2.2
55.05519	43.7
57.03446	15.7
57.07090	11.1
58.37166	2.2
65.03931	2.8
67.05175	4.1
67.05511	66.0
69.03444	2.0
69.07070	51.0
71.05008	5.7
71.08640	5.8
71.29652	5.3
72.01074	2.5
72.84885	2.5
79.05500	48.1
81.07063	83.8
83.08630	32.3
85.06540	5.6
85.10193	3.7
91.05489	61.4
91.70081	2.2
93.07052	77.6
95.04944	3.1
95.08056	4.4
95.08621	63.6
97.06532	6.5
97.10179	13.7
99.08112	3.0
103.05468	2.2
105.07036	68.0
107.08611	49.5
109.06529	2.7
109.10168	22.9
111.08098	3.6
111.11720	7.0
116.33369	2.3
117.07022	15.8
119.07784	4.7
119.08596	63.7
119.09460	3.1
121.10156	42.0
123.11726	10.3
129.07039	12.3
130.28636	2.1
131.08595	24.6
132.14992	2.5
133.09135	2.4
133.10139	44.3
135.08028	3.2
135.11717	36.5
137.09636	3.5
137.13264	6.4
143.08556	12.5
145.10129	29.9
147.11694	51.5
147.12793	4.0
149.09662	3.1
149.13280	13.7
157.10130	10.2
159.11722	24.7
161.13269	33.5
163.11171	2.4
163.14828	5.1
171.11736	13.0
173.13292	16.2
175.14836	14.4
177.16354	4.3
179.14430	3.2
185.13281	10.8
187.14771	4.6
199.14796	6.9
201.16508	2.9
217.15942	3.1
217.19611	3.8
231.21138	7.6
237.22186	6.8
241.19516	41.3
243.20938	2.9
249.11073	3.1
257.19070	3.2
259.20609	100.0
261.22073	2.8
275.20090	5.1
277.21500	4.6
311.25842	92.7
313.27429	3.6
315.23291	6.3
333.24252	60.8
335.26154	3.0
368.91074	2.6
495.41544	3.9
569.46198	15.4
587.39526	6.9
587.46832	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	588.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84271	0.3
61.00428	0.4
67.01865	0.6
68.05009	0.5
68.99806	0.9
70.06593	84.2
72.08173	0.4
81.03430	0.8
82.06527	0.4
84.08136	0.6
85.02930	0.3
85.06536	0.6
91.05477	1.2
93.07032	0.6
93.53568	0.3
97.02895	0.8
109.02913	3.6
112.07610	75.1
113.07881	0.3
114.05537	0.4
116.07085	1.9
121.06519	1.1
127.03948	0.4
135.04411	1.7
135.08015	0.7
135.63199	0.3
137.02364	1.2
137.05983	1.2
139.12299	1.0
140.07071	53.9
143.73729	0.3
151.22600	0.3
153.01830	7.0
158.08131	7.8
160.03728	0.3
161.02290	1.7
165.05444	0.5
167.07014	0.8
171.02905	0.8
177.05510	0.5
180.06584	1.0
212.09070	0.8
230.10265	0.5
241.04941	0.6
242.10229	0.6
245.04453	0.5
265.29535	0.4
266.10229	2.9
271.06119	0.5
284.11304	8.5
287.05505	100.0
288.05783	1.3
302.12384	1.2
329.06528	3.2
338.73233	0.4
353.06531	0.4
377.06458	0.6
395.07889	0.8
408.13956	2.2
546.17035	0.6
556.26611	0.4
588.16730	7.4
588.25043	4.5
588.40558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.9
69.07067	5.9
69.32439	2.4
69.32850	0.7
70.06580	0.8
74.06081	3.0
84.04491	0.9
84.08119	0.6
86.09705	100.0
98.06068	0.8
102.05569	0.6
114.09202	0.3
116.07093	0.9
121.06535	0.5
126.05522	6.5
130.05022	1.0
137.05939	0.4
144.06512	0.7
148.06058	3.1
153.06615	1.5
157.13358	4.2
167.07095	0.4
169.09787	1.3
169.80234	0.3
185.12921	1.0
197.09216	15.5
199.18123	1.6
215.10277	6.2
227.17471	1.9
238.15475	0.5
261.14471	7.7
264.12289	0.4
282.18130	0.6
300.19177	16.0
310.17737	0.4
328.18677	33.9
374.22797	0.8
441.27179	3.7
445.26865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01871	3.3
55.05523	17.1
55.47685	2.2
57.07077	11.6
58.76988	2.1
59.05006	25.5
62.31518	2.7
67.05515	25.4
69.03436	9.6
69.07085	21.4
69.78906	9.2
71.05011	17.9
71.08651	3.6
73.02929	2.8
79.05505	21.4
81.03430	3.8
81.07066	100.0
83.05008	3.8
83.08604	12.0
85.02921	23.7
85.05160	2.3
85.06562	10.1
86.09729	3.3
87.00835	8.0
91.05487	19.4
93.07060	65.5
95.04971	6.8
95.08615	43.4
97.02905	10.4
97.06524	13.0
97.10184	27.7
99.04441	5.0
99.08141	3.7
105.01870	24.4
105.07044	42.7
107.08605	74.2
109.02878	5.2
109.06508	3.5
109.10172	51.5
111.08121	5.2
115.07565	5.5
117.07003	4.2
119.08602	40.5
121.06535	2.5
121.10156	57.5
123.11728	23.0
125.09644	49.3
127.03942	21.1
127.11216	15.8
131.08592	10.2
133.10152	41.5
135.11702	26.3
137.13268	2.6
139.11208	3.6
141.09106	7.4
143.08693	3.8
143.10693	88.3
144.09377	3.6
145.05006	12.4
145.10172	21.5
147.11702	28.7
149.13277	57.1
151.11179	22.0
157.10114	9.9
159.11728	20.7
161.13297	17.5
163.14812	15.8
169.12277	14.9
171.11739	9.8
173.13271	12.0
175.14848	5.9
177.12805	3.4
177.16426	3.9
184.07396	13.0
185.13289	5.5
187.14874	6.3
189.16438	10.1
191.14360	6.2
191.17920	15.4
193.15974	2.9
199.14841	5.6
201.16414	19.1
203.17989	30.2
205.16020	2.5
207.17389	3.0
209.15413	3.7
213.16394	11.0
215.18060	6.8
217.16122	3.3
217.19547	5.3
227.18036	5.1
229.19543	9.2
231.05031	9.4
249.06091	10.3
269.22672	16.0
284.09842	9.4
287.23630	15.0
305.24786	10.5
322.27405	9.3
329.79825	2.6
426.27292	2.8
519.76746	2.4
549.77313	2.4
588.32123	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	588.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.0
53.03946	7.0
55.05508	11.1
57.07080	26.9
65.03939	2.9
67.05517	16.7
69.03429	14.3
69.07080	14.9
69.76975	2.3
71.04978	2.6
71.08638	17.9
71.35019	2.6
78.53845	2.4
79.05499	19.8
81.03430	24.6
81.07066	24.6
81.65912	2.7
83.08621	9.4
85.02903	15.7
85.10191	10.4
91.05487	29.9
93.07055	91.9
95.04961	5.3
95.08620	22.5
97.02923	15.3
97.06570	3.6
97.10148	3.8
99.04455	3.6
99.40642	2.4
104.68691	2.6
105.07023	13.2
107.08604	100.0
109.02885	13.6
109.10163	11.9
111.11771	2.7
119.08573	4.5
121.10116	5.2
123.11676	4.6
127.03918	25.2
131.08522	3.7
133.10135	3.1
135.11705	62.3
137.13263	3.1
145.04999	9.3
195.74614	2.4
202.19121	2.7
229.51901	2.9
239.23746	22.9
248.54988	2.9
297.17410	2.8
311.25934	4.8
313.27707	2.8
383.27988	28.7
401.28915	19.9
588.47192	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	589.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68173	0.7
69.03382	1.2
70.06545	1.4
71.04965	0.9
71.57051	0.5
81.07034	0.7
85.02916	3.5
87.99535	0.6
94.55991	0.8
97.02867	1.5
98.97543	1.3
108.43382	0.7
121.06435	1.9
137.05946	0.7
153.12672	0.8
163.03802	1.2
165.05403	2.0
185.04225	1.4
189.05182	1.1
192.57988	0.7
195.02583	1.4
203.03389	0.9
203.05276	15.1
203.07195	1.3
233.04228	10.6
247.05832	6.3
249.07332	1.3
255.08441	1.4
261.10211	0.8
265.06860	39.3
269.10727	0.7
305.06357	1.0
315.10983	1.9
320.30511	0.7
337.09009	1.6
347.09476	1.3
353.08292	0.7
365.10504	2.1
377.08237	1.1
395.09616	9.4
400.91351	0.7
409.11087	2.1
411.12805	1.3
427.12152	90.9
428.12311	1.0
589.17438	100.0
590.17426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
53.03935	2.3
55.01880	1.5
67.05492	0.9
68.94406	0.6
69.03447	0.5
69.07070	4.2
72.58710	0.6
73.17731	0.7
76.03990	2.3
79.86506	0.6
79.94714	0.5
80.54702	0.6
81.07045	1.5
84.08112	1.3
85.02898	0.6
91.04961	1.1
91.05490	11.9
93.07049	13.6
95.04984	4.0
95.08611	1.5
97.02905	0.7
97.06553	0.6
98.21345	2.8
103.05475	10.7
105.04563	1.2
105.07029	1.4
109.10176	0.7
115.05496	0.9
117.06999	0.7
118.06549	20.3
118.07352	1.3
119.04980	1.0
121.06514	100.0
128.30818	0.6
130.06543	1.9
137.05998	3.5
142.06531	1.7
143.07338	1.9
144.08098	12.8
146.06015	53.7
148.03935	0.7
151.06274	1.0
152.07048	0.9
160.07579	0.7
162.05591	0.7
163.03929	0.9
164.07097	0.8
166.05046	3.9
168.08173	1.2
170.06020	4.8
180.04936	0.9
180.06575	34.0
188.07083	48.6
191.17911	0.7
194.09761	0.8
205.82922	0.7
208.06143	0.9
217.19563	0.8
218.08350	0.7
222.07623	13.0
229.63330	0.7
231.09219	1.0
238.06822	1.0
245.10768	2.7
246.20998	0.7
249.06448	0.7
256.09805	1.2
262.07468	2.7
263.04929	0.6
263.08209	2.7
265.09946	0.6
271.08289	0.7
273.10309	1.1
275.08047	3.7
276.08990	4.3
277.09818	2.4
279.11310	0.7
280.08298	0.6
289.09729	8.1
290.10660	1.2
291.11246	4.9
291.13834	0.5
303.11453	2.6
305.15094	2.1
307.10867	3.3
317.09341	1.3
328.11792	1.4
335.10278	59.6
342.94797	0.7
347.16144	0.9
349.11908	10.3
351.15540	10.7
355.50485	0.8
379.14868	1.0
393.16577	34.8
395.07251	1.1
395.12424	22.7
409.13956	28.8
427.14447	0.7
431.98453	0.7
437.13440	14.4
455.16071	21.8
515.18231	47.6
529.19812	3.1
589.24225	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	589.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
53.03946	3.0
55.01877	0.4
55.82238	0.4
68.00780	0.4
69.98795	1.9
76.63281	0.4
77.03917	0.6
81.07072	0.4
91.05485	8.4
93.07056	12.1
95.04982	3.1
95.08609	0.5
98.20840	0.8
98.21385	0.8
103.05484	9.7
105.04524	1.2
118.06553	1.2
121.06518	100.0
130.06566	1.1
144.08110	1.6
146.06027	4.7
164.07286	0.4
169.07698	1.0
170.06038	0.8
174.05566	0.6
180.06621	0.7
188.07117	3.5
207.09282	0.4
218.09848	0.6
219.09207	1.0
231.09116	0.5
232.09912	0.5
233.10744	0.6
243.09201	1.0
244.09892	0.6
245.10788	1.3
246.11488	0.7
248.07159	0.6
249.06627	0.5
256.09833	0.4
257.10739	0.4
259.12280	0.6
261.10248	1.1
262.07562	1.4
262.10971	0.5
263.08203	2.8
271.08957	0.6
275.08139	3.0
276.08881	3.6
277.09692	2.2
278.10776	0.5
289.09726	6.9
290.10507	2.0
291.11249	3.3
302.06860	0.7
303.11325	3.1
305.12854	1.6
307.10825	2.4
317.09225	1.6
321.12393	1.0
335.10287	45.3
349.11865	21.1
351.09900	0.9
353.11313	0.8
363.13419	1.0
365.06235	0.4
377.11356	1.0
395.12433	23.0
409.13806	2.5
437.07407	0.6
437.13474	19.2
455.16006	8.3
515.18213	35.3
529.19855	0.6
557.19196	2.6
589.32898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
55.05307	0.3
55.05517	2.7
57.07084	2.1
59.04869	0.2
65.03935	0.4
65.35200	0.2
69.03417	0.3
69.07083	0.3
69.97954	0.2
70.02944	1.4
70.06590	0.5
70.97327	0.6
72.08147	1.0
79.05501	0.4
81.07054	0.6
83.05000	2.7
83.05492	0.4
83.08621	0.4
84.08142	0.7
88.03999	13.7
89.94643	0.2
90.05563	8.3
91.05493	2.9
93.07011	0.4
97.02908	0.3
98.09685	1.3
107.07388	0.5
116.03471	0.2
118.06501	0.2
119.04955	1.5
119.08611	0.2
120.04445	0.4
120.59931	0.2
121.06495	0.9
121.10146	0.3
124.60394	0.3
126.09149	0.6
130.08638	0.2
134.40172	0.2
137.04980	0.5
137.05994	4.6
137.07018	0.2
138.05486	0.4
142.08673	0.2
144.10213	0.8
145.02873	0.3
146.05995	0.4
148.03931	1.3
150.05573	0.4
151.06314	1.1
152.07063	2.2
163.03889	0.3
164.07037	1.5
166.03706	0.4
166.05014	5.4
172.09656	0.4
177.05495	0.8
178.08658	0.9
180.06569	67.6
181.06767	0.3
190.04982	0.8
194.08159	0.6
203.07104	0.2
208.06035	1.4
222.07628	21.9
271.06033	0.8
287.05508	0.6
302.10153	0.6
305.14944	0.9
335.15909	0.6
337.13766	1.0
344.11304	0.8
347.16125	1.1
351.15543	15.3
379.15030	1.8
392.18109	0.2
393.16586	100.0
394.16867	0.9
409.15875	0.3
453.18777	0.3
473.19162	0.5
515.20313	10.2
519.13605	0.3
529.21942	0.4
547.22815	0.6
589.23950	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	589.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
55.05499	0.4
56.04983	0.2
57.52936	0.2
65.03913	0.4
69.03420	0.4
69.07076	10.9
70.63029	0.6
74.02431	0.7
76.03589	0.4
76.04009	7.2
79.05484	0.4
81.07053	0.8
83.08603	0.3
84.04510	2.4
84.08148	0.7
85.02888	0.3
86.09661	0.3
88.03999	0.2
91.04966	0.3
91.05482	3.8
93.07021	0.6
95.04961	0.2
95.08606	0.3
97.02908	0.4
97.06544	2.3
98.09657	0.4
103.05450	0.8
107.08629	0.3
112.03958	1.1
118.06559	0.5
119.04948	1.5
119.08579	0.3
120.04443	0.6
121.06525	3.0
126.09165	1.3
130.05017	0.8
131.04926	0.3
137.05981	6.2
144.08049	0.3
145.02902	0.3
146.05989	1.5
147.04427	0.3
148.03932	0.6
151.06282	1.0
151.07431	0.2
152.07059	1.8
163.03922	2.0
164.07059	1.5
166.05008	4.9
170.06006	0.3
172.09706	0.9
176.07034	0.4
177.05521	0.3
177.95648	0.3
178.08670	0.7
180.06567	65.3
188.07065	0.9
190.05045	0.5
193.07127	0.3
194.08134	1.0
195.08740	0.2
196.34259	0.2
198.72643	0.2
204.06601	0.3
206.08157	0.4
208.06125	1.4
220.06108	1.2
222.07622	15.9
238.07034	0.3
249.08728	0.3
287.05576	0.4
289.09698	0.4
291.13412	0.8
302.10263	0.6
305.14993	6.7
305.18521	0.3
333.14548	0.3
335.10269	1.8
335.15991	0.8
337.13898	3.0
344.11545	0.3
347.16248	1.2
349.12088	0.3
351.15524	30.6
379.14984	2.9
393.16583	100.0
394.16995	1.0
395.12515	0.5
409.13663	0.5
421.15689	0.3
437.13593	0.3
455.16006	0.4
473.19193	0.7
515.20300	10.1
529.21759	0.3
547.22821	0.8
582.39667	0.2
589.23840	1.6
589.31775	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	589.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93644	0.2
55.01875	1.5
55.05501	0.5
60.57675	0.2
65.03944	0.2
67.05508	0.3
69.03410	0.7
69.07072	9.6
70.21240	0.4
70.21587	0.9
71.08652	0.4
72.50448	0.3
74.02449	0.6
76.03597	0.4
76.04005	7.3
77.02980	0.3
81.07047	0.6
83.08625	0.4
84.04508	2.2
84.08154	0.6
86.09709	0.3
88.03983	0.4
91.05484	4.4
93.07014	0.5
95.08597	0.4
97.02892	0.3
97.06537	2.7
98.09692	0.3
98.20860	0.3
103.05456	0.3
105.06992	0.3
107.07298	0.3
107.08578	0.3
108.75595	0.3
112.03960	1.1
112.94399	0.3
119.04956	1.7
120.04505	0.4
121.06509	2.5
126.09165	1.3
130.05022	0.7
137.04903	0.3
137.05972	4.7
145.02837	0.4
146.06018	1.5
148.03906	0.9
151.06287	1.0
152.07074	2.0
163.03886	2.0
164.07074	1.5
166.04987	4.3
172.09695	0.5
177.05463	0.5
178.08557	0.6
180.06560	62.7
188.07085	0.7
194.08124	1.2
202.30185	0.3
206.08087	0.5
208.06047	1.0
208.15984	0.3
220.06007	1.3
222.07619	14.1
271.05887	0.3
287.05270	0.5
291.13446	0.8
305.14966	6.0
305.18469	0.4
335.10364	0.9
335.16083	0.4
337.13992	2.2
344.11206	0.8
347.16092	1.4
349.11765	0.3
351.15524	32.2
379.14948	2.6
393.16559	100.0
394.17029	0.8
395.12363	0.3
409.14529	0.3
455.15738	0.5
473.19141	1.2
515.20209	9.8
547.22668	0.3
589.24023	2.7
589.33136	3.5
617.57208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20448	8.7
55.05501	34.7
57.03419	9.8
57.07077	56.6
65.67263	9.3
66.60090	8.5
67.05520	59.1
69.07068	24.6
71.08634	26.9
71.58563	16.7
79.05482	51.5
81.07083	52.1
83.08612	24.9
91.05503	60.5
93.07073	54.6
95.08609	65.3
105.07034	54.8
107.08595	27.4
117.07000	14.4
119.08557	49.9
121.10123	18.8
129.07069	16.2
131.08557	27.0
133.10146	48.0
133.30475	10.2
135.11668	22.1
145.10091	15.3
147.11700	42.8
153.18529	11.2
159.11722	15.1
161.13237	19.0
171.11667	17.2
173.13258	13.7
241.19574	41.3
259.20560	100.0
313.27451	83.8
333.24179	52.2
571.47186	29.4
589.49023	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40821	0.7
69.03427	1.4
69.07047	2.2
70.06580	1.2
70.16398	2.9
74.10655	0.7
79.05495	5.9
81.07027	2.5
85.02876	1.9
85.06503	0.7
86.09750	0.8
91.05482	4.6
93.07026	3.6
95.04958	0.9
95.08608	1.9
97.02852	1.7
98.20865	1.0
98.97581	0.8
103.05470	19.3
104.06261	1.1
105.07008	3.0
107.04961	6.8
107.08556	1.6
118.06512	1.0
119.08553	1.2
120.04488	0.8
121.06493	9.1
122.06824	1.5
126.36090	0.9
131.04933	6.1
133.06416	0.8
133.10078	1.3
137.05940	2.3
144.28453	0.7
145.10080	1.2
146.05998	2.5
147.11710	1.2
154.35382	0.9
164.07050	4.0
177.05446	1.1
180.06595	7.7
183.11627	0.7
188.07097	1.2
202.37563	0.8
203.18018	1.1
206.09647	6.9
216.07576	1.3
234.09081	2.2
240.08527	6.6
252.10240	1.4
262.06924	2.3
264.09891	2.9
266.11777	63.2
284.12778	3.5
288.09930	0.9
294.11041	5.5
298.83575	0.9
324.11938	3.4
335.10056	1.5
336.11340	2.7
348.12054	5.1
366.13141	100.0
384.14130	5.8
388.13873	8.4
393.16547	1.5
394.16879	2.8
410.12082	31.3
446.19556	1.4
468.17752	3.9
482.50095	0.8
516.18250	1.5
528.20178	1.0
546.21173	4.2
549.21991	1.0
590.19971	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	590.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01878	3.0
55.05519	14.3
57.07068	3.0
62.06107	2.9
67.05512	21.1
69.03433	9.5
69.07066	26.9
69.30879	21.2
71.05000	24.9
73.06532	3.1
79.05502	24.9
81.03426	9.6
81.07066	93.0
83.08622	7.4
85.02908	28.8
87.00841	13.4
89.79197	3.1
91.05476	15.8
93.07056	57.3
95.04975	3.9
95.08614	44.0
97.02882	10.8
97.06557	3.2
97.10181	7.3
98.20730	5.9
99.04493	3.9
99.08138	4.8
105.01882	18.0
105.07048	29.1
107.08604	51.1
109.02897	6.7
109.10166	100.0
116.02248	3.0
117.07005	3.4
119.08574	31.9
121.06552	14.2
121.10157	54.0
123.11735	16.3
125.09618	3.5
127.03917	13.8
127.11209	71.6
131.08582	11.2
133.10149	23.4
135.11716	28.9
137.13281	3.8
141.12790	3.8
143.85815	3.0
145.04912	5.7
145.10130	12.7
147.11702	30.3
149.13290	43.8
153.12738	10.9
159.02994	3.7
159.11734	14.3
161.13257	16.4
163.14871	16.7
165.12756	4.0
173.13269	14.9
175.14835	8.2
177.16360	4.5
179.14294	5.6
184.07368	4.4
187.14813	24.4
189.16408	9.2
191.18076	14.7
193.15945	3.7
197.18953	3.0
201.16400	10.0
203.17989	36.3
209.19138	3.0
213.16371	3.4
215.18039	8.3
219.17505	3.5
271.24274	34.9
289.25299	40.2
299.45331	2.8
324.29108	5.5
586.86029	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	590.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.8
53.03936	5.1
55.05517	12.1
57.07074	6.8
67.05510	25.0
69.03425	4.4
69.07069	32.8
69.67339	10.5
71.04992	26.9
78.37534	1.9
79.05499	27.8
81.03408	2.2
81.07060	100.0
83.08621	11.4
85.02907	11.7
87.00831	6.0
91.05482	20.8
93.07047	70.9
95.04978	2.9
95.08607	51.8
97.02906	6.3
97.06544	3.0
97.10165	8.4
98.97572	6.3
99.04477	3.1
99.08086	4.2
105.01871	8.9
105.07029	30.0
107.08597	75.7
107.68420	1.7
109.02892	3.3
109.06512	2.2
109.10160	96.5
110.97600	3.9
111.11720	3.6
113.09668	2.2
117.06985	2.3
119.08590	40.3
121.06519	8.6
121.09317	3.4
121.10152	55.4
123.11697	18.4
125.09646	8.4
127.03961	8.7
127.11199	60.3
127.12132	4.3
131.08591	6.6
133.10144	28.5
135.11676	30.3
137.13271	6.2
138.50049	1.7
139.11188	2.4
141.12788	1.9
143.10664	14.8
145.04974	4.5
145.10136	14.6
147.11691	27.7
149.13264	67.4
151.14870	4.7
153.12778	13.0
155.14293	2.4
159.11723	15.4
161.13284	17.5
163.14827	19.7
165.12747	2.7
173.13264	13.9
175.14836	11.3
175.28004	1.9
177.16364	5.7
187.14851	22.7
189.16377	9.2
191.17952	15.4
193.15892	6.8
195.17593	1.8
201.16364	12.3
203.17964	44.5
205.19450	2.1
207.17429	3.8
215.18056	8.9
217.19563	6.5
219.01752	4.6
229.19588	2.3
237.02829	5.4
238.03192	1.9
249.06090	2.3
251.35320	2.0
271.24246	31.2
289.25287	24.6
307.26401	3.5
366.11627	2.5
397.18735	2.2
398.19327	5.1
530.23462	13.7
590.26135	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	591.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
56.96564	0.9
61.02929	0.9
65.42455	0.6
69.03423	2.8
69.80045	0.5
71.05010	0.6
71.55691	0.6
71.56016	0.5
72.08163	1.4
81.03416	1.0
81.07055	1.4
85.02914	5.5
85.53802	0.5
91.05479	0.8
95.04992	0.8
97.02893	2.0
98.97591	1.1
99.04479	0.7
121.06512	5.9
127.03920	1.6
142.66814	0.5
145.05042	0.9
151.03954	3.6
162.03674	0.7
163.04022	0.7
165.05487	3.5
187.05768	0.8
187.13347	0.8
194.06924	0.6
199.06491	2.1
203.07564	5.8
211.06093	0.9
212.08000	3.2
217.07533	1.2
223.58783	0.8
233.04309	0.8
235.73283	0.7
243.09073	2.3
261.10132	5.9
265.06940	1.7
279.11087	0.9
295.11334	1.8
305.10675	1.4
317.10666	1.0
327.10257	4.9
332.82718	0.6
355.10049	0.9
397.11148	21.2
405.14398	4.2
411.12738	1.5
411.17703	0.7
413.14423	1.9
429.13696	34.2
589.22021	1.1
591.19019	100.0
592.19421	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60885	0.2
58.19749	0.2
62.71795	0.2
69.42530	0.7
69.42960	1.1
71.69572	0.2
72.08170	0.3
82.03958	0.4
83.01117	1.1
84.75412	0.2
95.01096	2.5
96.01878	1.3
97.02682	0.3
111.00578	0.3
112.01361	1.0
113.02136	3.5
114.10309	0.8
121.06594	0.2
126.02897	0.4
131.04953	0.6
137.06032	0.4
141.05241	0.5
157.04713	1.2
161.06038	0.3
163.03947	0.2
165.44135	0.2
167.03195	0.9
177.05481	0.3
185.04253	6.3
185.05780	0.6
201.03758	1.7
201.05357	0.3
203.05301	1.2
203.06969	0.4
217.04764	1.8
221.07974	0.3
226.03252	0.3
232.07086	13.9
233.07976	0.5
349.36203	0.2
351.10504	0.4
365.12051	1.2
381.11707	1.8
407.13138	0.9
447.47748	0.2
528.99957	0.2
543.18011	0.3
561.19647	0.3
591.20538	100.0
592.21143	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36604	0.4
66.00850	0.5
70.06587	0.5
71.05003	0.5
71.58010	0.5
75.78004	0.4
85.02903	0.7
91.05480	1.7
94.65990	0.4
95.01080	1.4
96.01841	0.6
97.02892	1.6
106.04173	0.8
112.01357	0.8
113.02131	1.9
114.10299	1.4
117.03378	0.5
119.04953	1.0
121.06553	0.8
137.06004	1.7
145.02847	0.5
149.05965	1.0
152.48280	0.5
157.04680	0.7
163.03976	0.7
167.03323	0.9
175.16119	0.4
175.22029	0.5
177.05486	1.5
185.04208	3.2
188.39520	0.4
194.08147	0.8
200.03754	0.6
201.03726	5.1
202.06038	1.2
203.05252	4.4
207.06555	1.0
217.04797	1.1
232.07085	12.8
233.07784	3.5
278.33853	0.5
315.39160	0.5
375.08609	1.3
381.13153	5.0
411.14246	0.8
430.78192	0.5
512.13562	0.5
572.38965	0.5
591.20520	100.0
592.21094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02988	1.1
55.05510	0.5
56.05046	1.0
62.12733	0.1
68.05025	0.2
69.07059	0.2
70.06596	10.4
71.58742	0.2
71.59090	0.3
72.05632	0.4
72.08158	19.5
74.02435	0.2
74.06075	0.4
75.52076	0.2
79.05485	0.2
84.04476	0.2
84.08112	0.4
91.05484	0.7
97.07660	11.1
100.07662	0.4
102.05540	1.3
103.05484	0.3
112.08736	2.5
114.10296	100.0
114.63593	0.2
115.10651	0.3
119.04938	0.3
121.06477	0.9
136.14201	0.3
137.05992	1.2
145.02849	0.3
146.08136	0.4
147.04420	0.2
156.11407	0.2
158.09268	0.2
163.03886	0.4
164.07082	0.7
166.05000	0.4
177.05505	0.6
178.08647	0.4
180.06560	6.8
187.03764	0.3
194.08177	0.3
216.10287	0.4
220.06136	0.9
222.07590	1.7
252.08835	0.2
262.07135	0.6
307.12872	0.3
309.10822	0.4
324.49548	0.2
335.17169	2.5
339.11844	0.2
351.12061	0.3
353.13416	2.6
367.19727	3.4
375.55612	0.2
395.14520	11.4
411.13846	0.5
517.18170	1.4
591.17236	0.5
591.25439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05505	13.3
57.03444	9.8
57.07082	34.2
62.24787	1.0
65.03935	1.7
66.94464	1.1
67.05509	53.1
69.07078	14.4
71.08286	2.1
71.08640	24.1
73.10067	1.0
79.05062	1.9
79.05501	29.0
81.07062	62.4
83.05000	1.4
83.08626	13.7
85.06573	1.1
85.10184	13.2
91.05483	16.4
93.07043	36.6
95.04981	2.5
95.08612	49.7
97.06558	1.9
97.10196	5.8
97.10707	1.1
99.08115	1.4
103.07552	1.0
105.07036	12.2
107.08607	23.2
107.28855	1.2
109.06539	1.2
109.09461	2.1
109.10165	27.2
111.08109	2.0
111.11700	1.3
113.09653	1.1
117.07023	7.2
117.86897	1.2
119.08591	10.2
121.10145	18.0
123.11710	11.5
131.08572	12.0
133.10141	8.8
135.11710	17.1
137.13274	4.5
145.10097	9.5
147.11694	5.8
149.13261	10.2
153.12784	1.2
159.11684	6.3
161.13240	4.6
163.14871	4.8
165.12743	1.1
173.13297	8.1
175.14854	2.8
177.16388	3.5
187.14809	4.3
193.16273	1.1
201.16374	1.4
229.39005	1.1
231.72765	1.0
233.22662	2.0
239.23744	4.6
243.21077	11.3
257.24646	1.5
261.22162	55.8
269.13443	1.2
279.23230	3.6
299.23538	2.1
313.27386	100.0
317.24826	11.7
335.25818	69.3
466.45264	1.2
499.45663	1.9
573.48798	24.2
591.49884	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	592.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.4
51.02380	0.4
53.03943	1.4
65.16077	0.4
70.06598	0.9
71.04994	1.0
71.57096	0.7
75.30743	0.4
76.02238	0.5
81.03411	0.5
84.08195	0.4
85.02916	2.4
91.05495	5.9
93.07052	8.4
95.04993	2.1
97.02889	0.8
103.05478	7.3
104.05021	0.6
105.04500	0.8
107.08591	0.5
111.00833	1.1
112.11225	0.5
118.06570	0.5
121.06520	30.7
136.07526	0.5
137.06026	0.5
144.04482	0.5
145.02759	0.5
146.06006	2.0
152.04236	0.5
156.04654	0.7
158.06078	0.5
161.08371	0.6
162.05492	0.5
163.03903	1.5
164.07097	0.9
165.05469	0.5
172.03896	0.8
174.05515	1.1
176.07132	0.6
178.08681	2.9
186.05547	0.4
188.07053	1.3
188.09232	0.5
190.04971	1.1
190.08705	0.6
192.02946	1.0
196.09770	0.4
204.06595	1.8
206.04510	4.5
206.08133	5.5
208.09782	0.7
209.10461	0.5
210.07613	1.0
216.06558	0.7
218.08066	1.1
219.08897	0.4
220.09698	14.6
221.10509	4.7
222.07755	0.8
222.11250	8.3
224.09212	1.6
232.06070	1.1
234.07686	3.9
236.05533	0.8
236.09201	0.9
246.07671	1.1
247.08453	0.5
248.05536	0.5
248.09210	6.6
250.07138	8.3
250.10846	4.7
260.09314	0.9
262.07181	1.7
262.10770	0.5
263.07770	0.5
264.08780	1.1
265.09518	0.8
266.10269	2.3
270.07751	0.6
274.07132	1.0
276.08640	2.1
288.08612	0.6
290.10211	2.5
293.08902	2.4
294.09802	1.2
300.08771	1.8
304.08209	1.0
308.11423	1.8
309.12000	0.5
310.13007	1.4
314.06863	0.6
314.10312	1.4
316.08148	0.9
318.09796	0.5
334.09369	1.4
340.08109	0.7
352.10211	2.9
353.10886	2.1
354.12073	1.0
368.13535	1.0
374.12598	0.9
386.16092	0.5
387.13162	0.7
396.12982	1.7
410.14740	0.5
412.12448	0.7
414.15491	0.7
418.11060	0.5
422.11014	0.6
428.15625	5.9
436.12735	0.7
440.11926	0.8
454.13498	0.6
472.14600	4.5
474.17941	0.8
574.19415	0.7
592.20288	100.0
593.20612	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.03951	2.0
69.03414	0.5
69.80232	2.3
70.06590	0.6
71.04988	1.4
83.08559	0.4
84.08137	0.6
85.02908	2.2
91.05488	6.6
93.07052	7.3
95.04975	1.3
97.02912	0.6
98.21241	1.1
103.05474	6.9
105.04517	0.9
111.00803	0.8
112.11211	0.4
119.04995	0.5
121.06514	31.9
125.18624	0.4
127.79436	0.5
136.07527	0.4
138.05447	0.4
146.06012	1.3
156.04497	0.5
161.08369	0.5
162.05551	0.5
163.03964	1.6
164.07011	0.9
165.05515	0.6
166.08722	0.4
168.24611	0.4
172.04030	0.6
174.05524	0.9
174.76369	0.4
176.07112	1.2
178.05026	0.5
178.08652	2.7
180.06581	0.6
188.07150	1.0
190.05037	0.5
192.02945	0.7
196.09631	0.5
204.06624	2.3
206.04517	3.7
206.08144	5.2
208.09755	0.7
210.07732	0.7
214.04865	0.6
216.06598	0.6
218.08130	0.8
219.09045	0.6
220.09700	14.0
221.10472	5.0
222.07669	1.3
222.11269	6.9
224.09225	1.6
225.10039	0.8
232.06139	0.9
232.09753	0.5
234.07625	4.9
236.05652	1.1
236.09171	0.7
238.10727	0.4
246.07686	1.6
247.08469	0.4
248.09186	5.5
249.10065	0.7
250.07123	9.3
250.10764	3.6
260.05569	0.5
260.09213	0.8
262.07150	1.8
262.10886	0.6
264.08807	0.6
265.09552	0.7
266.10126	2.3
270.07770	0.5
272.12314	0.5
274.07071	1.0
276.08707	2.6
278.10257	0.8
290.10278	2.4
293.08945	3.0
294.09811	1.1
300.08789	1.5
302.06842	0.6
304.08142	0.7
308.11420	1.9
310.09357	0.5
310.12946	1.2
314.07040	0.5
314.10367	1.5
334.09500	1.0
336.10870	0.6
352.10181	3.3
353.11005	2.4
354.11865	1.1
360.14502	0.5
368.07898	0.7
368.13577	1.2
374.12494	0.9
386.16116	0.5
390.16946	0.5
396.13000	1.6
410.14700	0.8
412.12543	1.2
414.15381	0.6
418.11423	0.5
428.15619	6.9
436.12549	0.9
454.13840	0.5
472.14490	5.1
474.17770	0.8
555.25067	0.4
592.20294	100.0
593.20789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
54.94891	1.5
69.03437	1.8
71.58880	1.8
73.19350	1.4
74.09723	2.0
79.64081	1.4
81.07075	2.3
83.35347	1.2
84.08178	1.4
88.59575	1.3
91.05479	10.6
91.40723	1.2
93.07050	15.1
95.04973	1.5
95.08585	2.2
97.02888	1.7
98.97595	2.8
103.05471	7.8
105.04517	1.9
107.08568	1.6
119.05001	1.7
121.06517	100.0
137.06032	3.2
143.04695	38.5
145.03009	1.9
146.06001	2.0
149.05951	1.4
164.07077	4.0
177.05438	4.0
180.06529	7.2
190.05038	2.4
194.08130	9.1
203.05241	1.4
229.22850	1.4
254.10239	33.7
276.08441	10.1
284.56949	1.3
314.13910	6.2
314.17294	1.5
316.84622	1.5
357.94827	1.4
374.16016	36.8
396.14191	23.4
412.19598	2.0
523.73761	1.6
560.19031	6.2
592.21484	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.0
55.05505	5.5
56.05025	2.6
57.07072	3.5
57.78701	1.7
65.77084	1.7
67.05514	15.5
69.03419	5.0
69.07060	3.9
69.24185	18.4
71.04996	2.7
71.08618	2.3
79.05499	15.4
80.04989	2.3
81.03422	2.7
81.05804	3.4
81.07070	14.0
82.06573	2.8
83.08633	3.8
87.04468	2.4
91.05485	5.6
93.07056	25.2
94.06572	18.8
95.04950	2.7
95.08617	22.6
96.08121	4.4
97.06538	2.5
105.07043	12.8
107.07354	2.7
108.08121	16.7
109.10175	2.8
110.09702	10.1
111.08092	14.5
122.09672	38.5
123.08072	26.0
123.11663	2.5
128.10738	31.7
133.52562	1.9
140.10716	100.0
141.09106	10.7
152.07072	11.2
158.11726	6.1
272.25839	7.3
314.12265	11.7
382.33234	7.6
394.33298	21.1
412.34280	83.5
592.35107	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	592.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	6.6
53.03953	10.9
53.12025	5.8
55.01899	6.4
55.05510	32.6
57.03436	16.5
57.07075	8.1
61.25975	5.6
61.84420	5.7
65.03944	8.6
66.99685	6.2
67.05510	82.2
69.07074	15.4
71.49386	8.8
79.05495	96.3
81.03435	7.0
81.07062	70.6
83.04991	12.5
83.08616	16.5
85.06536	9.6
91.02967	5.6
91.05494	93.9
92.05796	7.2
93.07053	100.0
95.04966	21.0
95.08614	49.2
97.06539	6.7
103.99355	5.4
105.04507	5.4
105.07038	86.6
107.04936	9.5
107.08618	45.7
109.10147	17.0
113.78057	5.0
113.92411	5.6
117.06995	27.7
117.78456	5.0
119.08598	61.1
121.10160	23.5
121.50965	5.0
123.08145	7.6
129.07001	24.5
131.08571	24.1
133.10139	38.4
133.18237	5.2
135.11699	19.4
143.08534	16.5
145.10155	26.0
147.11696	65.7
149.13240	8.6
159.11729	20.4
161.09587	8.3
161.13278	37.0
163.14775	6.3
171.11699	33.5
173.13306	15.6
175.14790	18.8
185.13269	9.3
189.12740	9.8
207.13863	20.2
231.21146	8.8
241.19537	22.8
259.20624	75.3
279.15933	22.9
281.17520	64.5
290.57144	6.9
313.27695	6.5
315.23474	6.1
323.03415	6.7
333.24246	49.3
483.34744	5.8
539.37408	57.9
557.38556	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	593.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03002	1.4
55.05507	0.3
56.96574	0.2
60.73091	0.2
64.09155	0.2
69.38429	0.6
69.38844	1.0
70.06593	5.2
71.04991	0.2
72.05653	0.4
72.08158	18.7
84.08096	0.2
85.02925	0.2
91.05477	0.4
93.74353	0.2
97.02861	0.3
97.07659	12.3
98.20703	0.3
100.84669	0.2
105.54188	0.2
112.08716	0.9
114.10295	100.0
115.10672	0.2
119.04919	0.4
137.02263	0.2
137.06001	0.8
158.09222	0.3
163.03883	0.3
165.05475	0.3
177.05508	0.3
179.51407	0.2
207.06541	0.2
216.10292	0.3
234.08478	0.2
272.04428	0.2
335.17038	1.0
353.18192	4.9
397.17197	0.3
593.21832	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	593.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81347	0.6
65.03935	1.1
67.05495	1.5
69.03418	1.7
69.04541	1.1
70.06583	0.5
70.65255	1.1
70.65587	0.8
71.04970	0.5
71.61707	0.5
81.03426	2.9
81.07047	0.7
84.08128	0.5
85.02914	1.2
86.09709	0.6
89.03937	1.2
91.05486	17.9
93.07047	1.0
93.21003	0.6
95.08636	2.5
96.15828	0.5
97.02892	0.5
105.07026	1.1
107.08551	0.9
107.41546	0.5
109.02858	1.4
109.06512	0.8
109.10170	0.8
119.04950	27.6
119.08561	0.9
121.06536	0.8
123.04468	0.5
123.08060	1.5
124.92042	0.5
127.03958	0.8
129.03398	0.6
132.02058	0.9
135.04492	0.8
135.11659	0.9
137.05991	2.4
144.25542	0.6
145.02849	2.3
147.04420	24.0
147.11732	0.6
149.02351	1.0
149.09610	1.5
157.03958	2.5
161.05960	0.5
163.03970	1.0
164.04683	0.8
165.05453	0.9
167.07118	1.0
175.03925	44.9
177.05428	2.0
179.07047	2.3
180.06557	0.6
189.12737	1.2
191.07062	0.7
192.04132	0.7
192.30722	0.5
207.06543	100.0
207.13785	3.3
225.07632	1.4
233.09512	0.6
271.06021	0.6
321.11066	0.8
345.56784	0.5
351.10721	4.6
369.11862	8.3
413.09854	0.5
593.21716	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	593.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69594	0.8
60.63128	0.9
67.03136	0.9
67.05498	2.2
67.95984	0.9
71.05016	1.4
71.05354	1.2
79.05511	1.1
81.07070	2.2
91.05499	2.6
93.07063	4.0
95.08608	2.1
105.04544	1.1
105.07055	2.8
107.08616	2.3
108.73248	0.9
109.10178	1.1
121.06509	13.2
126.73871	1.2
129.96552	0.8
133.10188	0.9
145.10175	1.1
161.09544	1.0
164.07068	1.6
203.05301	3.5
203.53268	1.0
227.05302	1.7
245.06328	8.1
275.20132	0.9
287.03717	10.8
289.05313	100.0
327.22974	13.9
329.24838	1.8
345.24139	1.4
349.23581	1.0
505.24307	7.2
507.22290	1.4
531.29590	1.5
549.30457	12.5
557.27325	11.3
575.28333	35.6
593.29474	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	593.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34946	0.8
55.05510	1.2
67.05515	1.6
70.89349	1.0
72.27553	0.8
79.05501	1.0
81.07067	3.5
85.02911	1.6
91.05476	2.2
93.07053	2.4
95.08620	1.0
105.07028	1.6
107.08623	1.6
109.10158	1.3
115.22482	0.8
119.08601	0.9
121.06513	3.9
121.10192	1.1
132.91019	0.7
133.06551	0.8
135.11670	1.1
145.10149	1.2
147.11687	1.4
159.11823	1.0
161.13249	0.8
203.05342	1.2
241.19432	1.0
243.04868	2.0
245.06337	4.6
287.03745	29.4
289.05310	43.7
327.21698	13.6
329.24396	4.2
333.24097	1.6
345.24100	6.4
349.17029	1.0
387.23816	3.4
446.24847	0.9
448.71533	0.9
475.11954	0.8
507.29385	1.4
549.30481	15.1
575.28809	2.0
583.66974	0.9
593.29395	100.0
615.14496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13857	0.5
55.05507	0.6
67.05496	0.5
69.07076	2.3
70.42561	1.7
73.02898	1.9
73.06542	1.5
91.05470	1.6
92.04382	0.4
93.07048	1.1
95.08600	0.7
95.86843	0.5
103.05482	1.4
119.08591	0.8
121.06514	10.1
137.05923	0.8
148.03961	1.0
151.06252	0.5
152.07086	1.5
166.05003	2.2
180.06569	26.6
190.05019	0.7
194.08150	1.9
206.60463	0.4
222.07663	0.9
272.85779	0.5
280.11749	5.5
284.90305	0.5
294.13373	53.9
295.13721	0.5
308.15091	1.3
322.12827	2.8
336.14426	100.0
337.14832	0.5
349.57492	0.6
368.17072	5.0
396.16522	0.8
400.17413	1.3
442.18634	13.2
474.21304	1.3
516.22192	5.5
593.07355	1.0
593.23706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.4
53.03952	5.3
55.01879	0.9
56.68978	0.8
56.98967	0.8
69.03467	0.9
69.67711	0.9
71.04970	0.9
71.57739	1.4
77.03936	1.4
81.03422	1.2
83.04968	1.0
85.02882	1.1
91.05490	13.0
93.07053	18.7
95.04967	4.3
97.06492	1.0
103.04804	1.0
103.05478	15.8
104.65948	1.0
105.04468	1.1
105.07060	1.5
108.04475	1.1
118.06548	2.0
120.05717	3.2
120.08128	2.5
121.06516	100.0
121.08867	4.3
125.05983	1.1
130.06490	0.9
134.05951	0.9
136.07574	13.7
143.07066	1.7
144.04439	1.2
145.10143	1.3
146.05974	3.0
147.04439	1.9
147.06828	2.0
149.02359	2.5
158.06090	1.2
159.05629	0.9
160.07608	1.1
162.05539	7.2
163.03891	1.0
163.06284	0.9
164.07092	17.5
166.04979	1.5
168.04428	1.0
170.05992	2.4
173.09676	1.2
174.01863	1.7
176.07120	6.6
177.07881	1.4
178.08650	15.3
179.05803	3.2
179.09425	22.2
180.10216	2.1
186.05475	1.7
188.07085	2.3
190.05022	2.9
190.08701	1.6
191.05795	2.1
192.06525	1.1
200.07080	1.5
202.08702	3.7
204.06647	3.3
205.07350	12.5
205.12233	1.2
206.04517	2.4
206.08151	5.5
214.05080	3.9
215.10732	0.9
215.77800	0.9
216.06540	1.8
218.08128	1.5
222.07445	1.9
223.08374	2.3
224.09160	1.1
228.06471	2.1
230.08131	1.3
232.06099	2.4
233.11623	1.8
242.04417	2.0
246.07590	1.6
248.09235	1.5
250.07010	1.2
250.10722	1.0
256.06030	5.7
260.09216	1.0
262.10736	0.9
264.08746	1.0
266.10413	1.0
274.07062	1.4
280.11450	1.0
282.09723	2.0
288.08673	2.5
292.08011	1.4
310.09204	2.6
324.10800	3.7
352.10284	3.5
378.08066	1.5
382.07401	1.3
396.09064	2.2
406.07385	1.1
412.12430	5.4
424.08835	4.8
438.10345	14.9
442.09720	1.4
456.11380	35.6
462.17615	1.3
474.12500	25.8
487.06885	0.9
490.16949	1.2
534.15900	1.7
540.71143	1.0
576.17084	15.0
594.18024	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	594.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.7
56.16645	0.4
56.96570	0.4
57.07072	0.6
58.06592	0.8
60.08168	7.8
71.07377	3.0
71.56851	0.4
71.57334	0.6
71.57960	0.4
72.08156	0.5
86.09709	13.4
88.54845	0.4
97.36153	0.4
102.92618	1.2
104.10750	100.0
106.12031	0.4
118.92113	1.5
125.00008	0.4
136.93108	3.3
154.94168	4.5
162.94649	2.6
172.95253	3.7
177.95844	0.6
180.95752	12.4
180.97284	0.7
190.96265	0.8
195.96893	0.8
198.96808	24.0
203.97371	1.1
210.96713	2.1
216.97876	8.9
221.98404	3.4
228.97809	1.9
233.98534	0.5
239.99477	0.8
251.99533	0.4
254.99466	1.5
307.57648	0.4
313.20502	2.4
331.21777	1.1
396.36426	0.5
419.18863	1.2
449.19672	2.6
472.21225	0.5
475.21402	2.3
478.26169	4.3
490.22226	0.7
520.28149	0.4
534.28546	6.1
552.29474	0.6
594.30884	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	595.1449
Annotation	Kaempferol 3-(3''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.03925	0.2
59.93110	0.1
65.03934	0.3
65.37146	0.2
67.01865	0.6
68.99780	0.7
69.03427	0.2
69.63842	0.8
79.05519	0.2
79.80350	0.2
80.22383	0.1
81.03418	0.9
85.02917	0.2
89.03918	0.2
91.05495	2.3
95.06197	0.1
97.02915	0.2
99.62740	0.1
107.04945	0.3
109.02891	0.4
111.04432	0.1
117.03413	0.3
118.96912	0.1
119.04947	4.9
127.03877	0.2
135.04420	1.5
136.32661	0.2
137.02414	0.7
137.05943	0.3
145.06531	0.2
147.04416	28.0
148.04739	0.2
153.01831	6.0
161.02328	1.2
163.03830	0.2
165.05460	0.9
167.07048	0.5
171.02876	0.4
177.05505	0.2
178.62627	0.2
179.03426	0.4
181.04912	0.8
219.06500	0.3
227.03038	0.1
235.09331	0.2
241.04947	0.8
245.04407	0.3
258.05801	0.2
269.04343	0.3
271.06049	0.4
287.05505	100.0
288.05756	0.7
291.08640	1.8
309.09628	0.9
318.82739	0.2
416.14676	0.8
595.14227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1451
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
62.76215	0.2
65.03922	0.2
67.01858	0.6
68.99796	0.5
69.48949	1.1
71.05016	0.2
72.08148	0.2
72.25695	0.1
81.03413	0.8
85.02889	0.4
89.03912	0.5
91.05484	1.8
97.02896	0.4
97.27779	0.1
98.21466	0.4
109.02913	0.2
115.05340	0.2
117.03385	0.6
118.66822	0.1
119.04955	3.2
121.06509	0.8
123.04411	0.5
129.01855	0.2
131.04926	0.2
135.04445	2.4
137.02336	0.7
137.06013	0.5
145.02841	0.6
147.04422	14.6
151.03937	0.3
153.01839	6.5
161.02356	0.8
163.03922	7.7
165.05470	0.5
167.07033	0.3
171.02896	0.5
177.05461	0.3
179.03467	0.3
180.06541	0.2
181.04933	0.7
189.05357	0.2
241.04915	0.9
243.06374	0.2
245.04341	0.2
263.05469	0.2
264.12195	0.2
265.12741	0.2
269.04572	0.3
271.06027	21.2
280.79391	0.2
287.05511	100.0
288.05820	0.8
291.08694	0.5
307.08063	0.5
309.09738	0.3
325.09546	0.3
329.06546	0.5
395.07730	0.4
416.14627	0.5
431.09909	0.2
595.14490	0.5
595.26819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1452
Annotation	Kaempferol 3-(3''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
50.96931	0.1
53.43586	0.1
57.19805	0.1
57.54329	0.1
61.54232	0.1
63.15457	0.1
65.03945	0.3
67.01878	0.4
68.99805	0.3
69.03401	0.2
69.45893	0.2
69.46302	0.5
79.05499	0.1
80.36953	0.1
81.03416	0.6
85.02926	0.2
89.03929	0.3
91.02230	0.1
91.05482	1.5
97.02869	0.2
102.31845	0.1
107.04969	0.2
109.02869	0.3
117.03388	0.2
119.04948	3.6
123.04480	0.1
127.03913	0.1
129.01796	0.2
135.04422	1.7
137.02344	0.5
137.05981	0.2
138.54776	0.1
147.04414	27.4
153.01837	5.9
161.02313	0.5
163.03946	0.1
165.05475	0.7
167.07065	0.4
171.02890	0.4
177.05513	0.1
179.03450	0.2
181.04930	0.2
185.05891	0.1
186.25848	0.1
187.07526	0.1
213.05499	0.2
231.06465	0.1
241.04907	0.6
259.05945	0.1
263.05316	0.1
269.04419	0.4
271.06036	0.1
287.05502	100.0
288.05774	0.7
291.08615	2.1
307.09564	0.1
309.09598	0.9
337.11005	0.1
341.13776	0.2
369.13153	0.2
594.46338	0.2
595.14081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1453
Annotation	Kaempferol 3-(3''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
65.03952	0.2
66.87425	0.1
67.01865	0.5
67.05499	0.2
68.99487	0.1
68.99803	0.4
69.03415	0.2
69.07065	0.2
69.36234	0.8
71.04971	0.1
72.08138	0.1
75.06055	0.1
79.05474	0.2
81.03407	0.2
81.07041	0.3
83.08614	0.1
85.02901	0.3
86.09746	0.1
89.03928	0.2
91.05481	1.1
93.03368	0.1
93.07027	0.2
95.04962	0.1
95.08605	0.3
97.02879	0.2
98.20734	0.2
103.05493	0.2
105.07032	0.2
107.04975	0.5
107.08585	0.1
109.10128	0.2
110.35893	0.1
115.05450	0.2
117.03366	0.3
117.07036	0.1
119.04950	1.8
119.08609	0.1
120.05735	0.1
121.06506	0.5
121.10141	0.1
123.04430	0.1
123.11787	0.1
127.03907	0.1
129.01872	0.1
129.06985	0.1
131.04958	0.3
133.06476	0.1
133.10144	0.1
135.04424	1.8
135.11703	0.1
137.02348	0.5
137.05974	0.5
145.02818	0.1
145.06490	0.2
147.04414	10.2
148.05190	0.2
149.05937	0.1
151.03914	0.1
153.01831	4.7
153.05531	0.1
157.06444	0.2
159.07991	0.1
161.02319	0.5
161.05997	0.2
163.03949	0.2
165.05499	0.5
167.07050	1.1
171.02872	0.3
173.05971	0.1
175.07637	0.1
177.05476	0.4
179.03429	0.3
181.04977	2.1
189.05580	0.1
191.07019	0.6
203.03285	0.1
205.08592	0.2
213.05382	0.2
219.06516	0.1
220.07376	0.3
231.06482	0.1
233.08060	0.1
234.08890	0.1
235.09747	0.1
241.04942	0.5
245.04449	0.1
269.04346	0.4
271.06049	0.2
287.05499	100.0
288.05835	0.8
291.08734	0.3
293.28387	0.1
309.09909	0.2
325.06955	0.1
337.10693	0.1
355.11804	0.1
367.11563	0.1
385.12878	0.4
398.13556	0.2
415.14502	0.1
416.14691	2.2
417.15256	0.1
595.14288	1.1
595.22852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
56.98541	0.1
57.03426	0.6
67.01866	0.2
68.99780	0.2
69.17830	0.2
69.37825	0.1
70.06568	0.3
70.12746	0.6
70.67184	0.1
71.04994	3.3
72.08153	0.2
73.02963	0.1
75.04491	0.2
83.04975	0.2
85.02909	3.9
91.06032	0.1
102.67688	0.1
107.04965	0.4
114.10272	0.6
117.03371	0.2
119.04946	0.2
127.03952	0.1
129.05482	1.3
135.04416	1.0
137.02386	0.3
137.06023	0.2
145.02863	0.2
153.01836	3.0
161.02357	0.3
167.07007	0.3
175.03918	0.2
177.05498	0.3
179.03395	0.2
203.03333	0.2
207.06644	0.2
219.06375	0.2
222.76363	0.1
241.04941	0.5
241.41661	0.2
269.04321	0.2
271.06009	0.4
287.05505	100.0
288.05838	0.5
298.59250	0.2
307.06213	0.2
324.18552	0.2
325.07190	0.2
351.08325	0.2
391.08234	0.2
449.10831	17.6
450.11032	0.2
595.21655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
55.01872	1.5
57.03434	2.8
60.63927	1.0
61.02918	1.2
62.16321	1.2
67.50666	1.0
69.03462	1.5
69.12210	0.9
73.02887	1.2
73.07737	1.1
85.02920	5.8
91.05481	1.8
97.02914	1.5
98.21527	2.4
103.03924	1.6
107.04976	2.0
109.02876	1.5
119.04959	6.5
121.02875	27.1
135.04422	1.2
145.02847	3.6
147.04424	1.3
155.04997	1.0
159.04372	1.4
161.02379	1.4
163.03886	2.3
173.02345	1.3
173.06020	1.3
175.03909	1.6
177.01849	3.0
177.05391	1.5
179.03360	3.2
181.05020	1.2
187.03899	1.4
189.01826	10.6
190.02660	1.6
191.03392	3.6
195.02899	3.1
199.03775	2.1
201.01797	2.0
201.05472	1.9
203.03391	9.6
205.04907	1.7
207.02884	5.8
215.03378	3.5
217.04941	5.4
219.02843	3.5
221.04482	1.8
226.10796	1.0
227.03458	1.9
229.04980	2.6
231.02849	1.7
233.04370	1.5
239.03438	2.0
241.58101	1.0
243.02840	2.3
243.06447	1.4
247.06067	1.5
251.07289	1.0
253.04935	1.2
255.02864	2.3
257.04514	2.1
267.06448	3.6
268.07303	3.9
273.03940	1.2
277.08554	1.6
279.06415	4.4
280.07312	2.5
281.08121	4.6
283.06030	6.3
284.06799	2.2
285.03952	3.0
287.05246	1.1
291.06586	2.0
292.07089	1.2
293.08035	3.2
294.05222	18.2
294.08264	1.0
295.06033	81.7
296.06790	4.4
297.07599	7.7
298.08218	1.5
305.07907	1.4
307.06033	50.0
308.06818	18.5
309.04086	2.1
309.07495	12.7
313.06992	4.4
317.07932	1.7
318.08841	1.8
319.06119	5.9
319.09451	1.9
320.06689	4.2
321.07590	25.3
322.08365	9.2
323.05472	2.9
323.09189	2.8
325.07062	100.0
333.07635	8.9
335.05539	1.9
335.09100	13.5
336.06177	3.2
337.07080	55.2
339.08533	2.0
345.07440	2.4
346.08292	2.0
347.09189	11.7
349.07095	32.5
350.07632	1.4
351.04938	2.3
351.08652	21.6
353.06528	1.4
355.08130	18.8
357.07178	1.9
361.06995	16.4
361.10800	1.5
363.08704	8.0
365.10196	10.2
367.08109	4.0
371.09085	1.2
373.07074	6.8
374.07516	2.3
375.04587	1.6
375.08600	11.2
377.06409	2.3
379.08139	52.3
383.64969	1.1
385.07022	3.1
387.08508	1.1
389.10071	3.8
389.40683	1.0
391.08191	31.1
401.10229	3.2
403.08093	24.9
409.03680	2.3
409.09174	43.3
413.09918	1.6
415.08395	3.3
417.09579	2.2
421.09171	23.9
427.10287	33.9
429.09830	1.3
431.11066	1.3
433.09427	3.7
439.10223	25.2
445.10919	6.2
457.11334	95.1
463.10101	6.0
475.12344	21.7
481.11365	27.1
487.09808	2.5
493.11081	3.0
499.12375	20.1
505.11227	5.1
511.12375	25.5
523.12439	23.7
529.13513	9.6
541.13483	27.5
559.14465	28.3
577.15521	16.7
595.16461	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03935	0.2
55.05486	0.2
57.03436	1.6
61.02921	0.6
68.99805	0.3
69.03436	0.9
69.92551	1.0
71.04999	8.3
72.62822	0.2
73.02908	0.4
75.04472	0.4
81.03410	0.5
83.04981	0.4
85.02913	11.9
87.04468	0.3
91.03948	0.3
97.02888	1.5
98.20871	0.2
99.04476	0.2
109.02902	0.5
111.00819	0.4
111.04471	0.3
120.18333	0.2
120.67850	0.2
121.02905	1.8
127.03916	0.9
129.05484	2.4
130.70041	0.2
133.02847	0.2
137.02345	0.6
137.05952	0.4
145.04984	0.6
147.04405	0.3
147.06537	0.8
153.01849	2.1
156.56004	0.2
157.06531	0.3
161.06041	0.2
165.01826	1.1
183.02919	0.6
185.05995	0.4
197.02185	0.2
199.34752	0.2
213.05458	0.9
231.06564	0.4
241.04967	0.5
258.05215	0.8
259.06198	0.2
287.05521	100.0
288.05847	0.6
449.10751	0.7
595.13708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25974	1.5
55.01858	2.1
57.03430	3.8
61.02922	2.4
65.03952	1.4
69.77875	9.4
85.02905	7.2
91.05479	2.3
93.03423	1.8
103.03887	2.4
107.04904	1.9
109.02917	3.7
113.38714	1.4
119.04961	7.3
120.44074	1.4
121.02876	34.4
137.40030	1.4
145.02858	4.4
151.03975	1.8
163.03879	3.4
173.02470	1.6
177.01820	3.3
177.05504	1.9
179.03421	3.9
187.03975	3.4
189.01781	10.1
189.64589	1.7
191.03404	5.6
195.02946	4.0
201.05414	2.1
203.03433	11.0
205.04959	2.0
207.02870	6.9
215.03455	1.9
217.04909	5.8
219.02908	4.7
221.04478	2.1
227.03462	1.9
229.04993	3.0
233.04460	3.1
243.02985	2.0
247.06003	1.5
251.07097	1.8
255.02791	2.8
257.04404	4.4
267.06552	2.6
268.07147	4.6
273.03989	2.2
279.06546	4.6
281.08017	6.6
283.05936	9.5
284.06735	2.1
285.03879	2.0
293.08063	4.4
294.05261	18.9
295.06030	83.1
296.06757	6.1
297.07654	9.5
305.07947	2.4
307.06024	54.8
308.06778	15.7
309.07590	13.8
313.06943	6.2
319.06213	7.1
319.09488	2.8
320.06839	3.6
321.07584	29.4
322.08411	9.4
323.05600	2.7
323.09171	4.1
325.07068	100.0
329.08014	2.4
333.07590	8.9
334.08185	1.9
335.05569	3.0
335.09122	16.3
336.06213	3.1
337.07071	63.0
339.08621	3.2
345.07690	3.6
347.09299	12.2
349.07037	30.3
349.10886	3.0
351.08633	22.1
355.08191	19.0
357.07477	3.6
361.07071	20.1
361.11069	3.1
363.08707	12.6
365.06445	2.0
365.10254	13.4
367.08063	4.4
373.07007	5.0
375.08710	9.8
379.08154	47.3
380.02573	1.5
385.07019	5.4
387.08652	2.3
389.10150	4.2
391.08090	30.5
401.10367	3.3
403.08145	23.3
409.09222	43.3
415.08414	4.8
421.09256	24.4
427.10315	34.4
433.09268	3.8
439.10211	26.1
445.10223	5.8
457.11343	95.2
463.09955	2.5
469.09204	1.8
475.12463	22.2
481.11386	25.8
493.11264	4.2
499.12177	19.4
505.11310	7.0
511.12411	26.9
523.12384	20.6
529.13678	12.9
541.13458	25.9
559.14465	28.0
577.15656	14.9
595.17853	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	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02590	0.5
52.20692	0.5
53.03941	1.5
55.05515	7.5
57.03442	8.1
57.07071	1.1
65.03940	1.0
67.05508	28.6
69.03422	0.8
69.06779	0.6
69.07073	7.1
71.05002	0.8
79.05499	16.1
81.03428	3.8
81.07062	26.4
83.08608	2.4
85.02899	1.5
85.06527	0.6
87.50898	0.5
91.05489	8.4
93.06469	0.9
93.07047	16.8
95.04977	1.4
95.08613	20.8
97.06554	0.7
97.10135	1.2
97.48080	0.6
98.98468	11.0
99.04490	0.9
105.04508	0.8
105.07051	4.6
107.08596	8.5
107.44722	0.5
109.02883	4.0
109.06523	1.1
109.10159	7.9
117.07013	1.2
119.08583	4.6
121.10146	6.6
123.11703	2.1
131.08588	2.8
133.10152	2.8
135.11700	3.6
145.10146	2.0
147.11690	2.0
149.13298	1.0
155.01056	1.9
159.11690	1.5
161.13213	0.8
163.05959	0.9
173.02151	0.8
173.13173	1.0
175.14888	0.9
187.14799	0.7
243.21097	1.1
261.01233	0.6
261.03784	2.4
261.22165	2.4
268.71161	0.6
271.06070	0.8
287.05515	8.7
317.06119	0.6
317.24847	1.0
335.07462	1.6
335.25815	100.0
336.26199	1.3
497.34525	0.6
595.36005	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	595.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.48643	0.6
55.05516	7.2
57.03440	6.6
61.87684	0.6
63.28713	0.6
65.03927	1.2
67.05508	33.7
67.05875	1.6
68.91284	0.7
69.07066	7.0
70.17912	2.9
71.04989	1.1
79.05495	14.4
81.03417	4.9
81.07059	25.5
83.04942	0.8
83.08603	2.7
85.02885	0.8
85.06544	0.7
91.05486	8.9
93.07045	16.2
95.04977	1.2
95.08609	21.7
97.06510	1.2
97.10163	1.2
98.98472	12.2
99.04433	0.8
105.07029	5.4
107.08591	8.9
109.02854	2.7
109.10159	7.9
111.07999	0.7
117.07026	1.3
119.08569	4.4
121.10140	5.3
123.08070	0.6
123.11721	2.3
131.08604	3.5
133.10121	2.9
133.55679	0.6
135.11710	5.0
145.10144	1.6
147.11693	1.5
149.13261	1.5
155.01013	2.2
159.11674	1.5
161.13271	1.4
163.06119	0.9
163.14919	0.9
173.13342	1.0
191.47003	0.6
218.54597	0.6
261.03705	5.0
261.22107	3.1
317.24942	1.5
335.07562	1.4
335.25800	100.0
336.26398	1.6
419.91602	0.7
566.09320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59829	0.6
67.05513	0.8
70.85258	1.1
74.93066	0.6
81.07059	1.4
88.31409	0.5
91.05484	0.7
93.07044	0.9
95.08566	0.5
98.21215	1.2
107.08583	0.6
121.06516	3.9
122.06836	0.7
126.99976	0.6
154.11856	0.5
189.05394	0.6
201.03737	1.0
203.05321	1.9
227.05415	0.9
243.04823	2.4
245.06311	3.7
284.27838	0.5
287.03738	27.2
289.05313	35.7
313.48581	0.6
329.24539	4.2
331.26065	4.5
347.25644	5.6
389.25488	2.2
509.30939	1.1
551.23499	0.8
551.31982	11.6
577.29230	0.9
585.44165	0.7
595.30969	100.0
596.31506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
67.05502	1.4
69.07070	0.9
69.23840	1.3
69.24249	3.1
73.80029	0.4
77.19423	0.5
79.05508	2.0
81.07064	3.0
83.19982	0.5
85.02911	0.9
91.05482	2.0
93.07048	2.3
95.08620	1.3
97.02949	0.6
98.98471	0.7
101.00909	0.8
105.07036	1.5
107.08617	1.5
107.54243	0.4
109.06531	0.5
109.10172	0.7
119.02017	0.5
119.08620	1.5
121.06528	1.7
121.10171	1.3
131.01892	0.5
131.08632	0.7
133.10139	0.7
135.11717	0.7
137.05933	0.6
143.01903	1.1
145.10124	1.3
147.11758	1.4
159.11676	0.8
161.02975	1.2
161.13419	0.5
164.68047	0.5
171.11671	0.7
173.01991	0.4
184.64235	0.5
197.06631	0.5
203.05302	1.2
205.74869	0.4
227.05394	0.7
241.19577	1.1
245.06380	6.9
259.20764	0.7
271.04340	0.5
277.20258	0.7
279.18396	0.5
289.05280	9.6
289.08197	0.7
309.19083	1.1
317.19543	0.6
327.20206	1.6
329.24020	3.5
333.24274	5.1
347.25455	4.1
357.22583	0.7
371.24374	2.0
371.99158	0.5
383.24216	0.8
389.25262	5.8
401.25171	0.7
431.26401	0.9
491.29834	1.8
509.30966	3.9
533.30896	5.6
551.31976	13.7
551.40033	1.0
577.29865	29.6
578.30542	0.8
595.30933	100.0
596.31219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05522	3.9
56.05045	0.6
56.75824	0.6
57.07078	1.3
61.94064	0.5
67.05505	3.9
69.07076	5.1
70.06586	1.2
71.08598	0.6
71.57719	0.7
75.89400	0.6
79.01909	0.5
79.05503	3.6
81.07067	7.4
82.06603	0.9
83.08630	2.6
84.08165	0.8
84.29219	0.5
91.05482	3.3
93.07048	5.1
94.06581	0.6
95.08612	5.9
96.08138	1.7
97.10179	2.3
101.75243	0.6
105.07043	3.8
107.08611	4.3
108.08144	1.2
109.10194	3.1
117.07068	0.8
118.06561	3.7
119.08603	4.1
121.10169	2.3
122.09723	0.8
123.11721	1.7
128.06290	0.8
129.05389	0.6
129.07042	1.1
130.06534	11.9
131.08588	1.8
133.10120	2.9
134.09685	0.8
135.11771	1.1
136.11237	1.2
143.08565	0.9
144.08130	2.4
145.10158	1.7
146.06018	8.4
146.11945	0.5
147.11703	2.1
149.13280	1.1
155.08618	0.6
157.10167	1.8
159.11699	1.3
161.13278	2.5
169.10161	1.1
170.06047	0.8
171.11702	3.8
173.13261	0.7
174.12874	1.1
175.14836	1.4
181.75859	0.5
185.13190	0.6
188.07042	4.6
188.14441	0.6
192.90781	0.5
408.36258	8.8
413.90634	0.7
422.37820	9.6
466.36884	10.8
505.35040	1.6
549.41998	0.8
595.42633	100.0
596.43188	1.7
600.19110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
51.96531	0.5
52.41929	0.5
53.03952	2.7
58.16587	0.4
65.03945	1.2
69.61524	2.9
77.03922	0.8
81.03439	0.6
91.05490	15.1
93.07048	8.3
95.04976	26.0
103.05484	8.6
105.04520	2.0
107.04968	0.6
109.06522	0.9
117.05491	0.6
119.03688	0.7
119.04954	35.4
121.06516	38.7
123.04440	51.5
134.06071	0.6
137.05992	1.2
143.12328	0.5
144.04475	1.0
147.03236	0.6
147.04420	19.2
160.03955	4.7
162.05525	3.9
165.05490	10.4
176.07121	2.4
178.05008	5.0
192.06560	16.1
194.08145	27.1
202.05055	0.8
204.06616	0.5
206.04486	1.5
208.09612	0.8
220.06056	11.6
236.09146	8.2
238.07130	7.2
252.08676	3.8
255.23663	0.6
268.11816	2.3
280.05054	1.0
280.08176	21.2
294.09790	2.0
312.10892	1.7
356.11389	1.8
358.13257	0.6
362.39270	0.5
384.10974	0.8
402.12161	0.7
432.16577	12.9
444.12979	19.1
458.14557	2.2
476.15634	0.9
564.19141	0.8
596.21301	100.0
597.21704	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.3
69.03407	0.8
70.72721	1.2
71.04964	0.6
73.02898	0.5
77.03945	0.4
83.07249	0.4
85.02929	2.2
87.04487	0.4
91.05482	5.2
93.06494	0.4
93.07047	5.9
95.04956	1.5
97.02894	0.6
103.05468	4.9
115.03932	0.5
116.01545	0.4
117.05746	0.7
118.06550	2.0
119.04929	0.5
121.06512	26.0
134.09627	0.6
137.05948	1.3
144.04420	1.4
146.06012	12.9
160.07576	0.6
162.05484	1.3
162.09091	0.7
163.03934	1.0
164.07025	1.4
172.03983	0.9
176.07085	1.3
178.08646	21.3
180.10104	0.6
188.07059	4.2
190.04990	1.4
190.08662	3.7
196.09720	0.5
204.06514	1.1
204.10164	0.6
206.08141	6.4
208.09706	2.5
216.06544	2.5
220.09711	15.0
222.11263	50.5
223.12032	2.2
224.09134	0.7
234.07675	3.8
236.09325	0.6
238.10730	1.1
240.12297	1.4
248.09200	10.9
250.10774	1.5
266.10248	61.5
282.10071	0.6
282.13333	1.7
284.11075	0.4
291.52686	0.4
294.09689	1.1
342.15561	1.3
386.16037	4.2
404.17184	0.9
427.43967	0.4
432.18988	0.9
446.18341	0.8
476.18152	0.5
506.20157	0.8
596.23401	100.0
597.23553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
54.48190	1.0
55.01869	1.8
57.03440	15.3
61.02922	7.8
67.05478	1.2
67.78052	1.1
69.03432	27.0
70.06592	4.8
71.01344	1.2
71.05000	3.7
71.58021	2.1
72.08162	2.2
73.02924	28.2
74.06084	2.7
74.09731	2.1
78.39215	1.1
78.60310	1.0
79.05474	1.4
81.03429	6.8
83.01355	1.4
83.04984	1.1
84.08131	2.8
84.21321	1.2
85.02908	100.0
86.09707	2.6
87.04461	6.4
91.03956	3.8
91.05479	3.3
95.05017	1.9
97.02897	51.6
99.04434	5.4
103.03948	1.3
105.07017	5.6
107.04967	1.9
109.02870	9.8
110.07191	1.2
115.03930	30.6
119.04951	1.7
121.02833	1.4
121.06504	2.6
127.03927	27.7
129.25876	1.3
133.04965	15.1
133.06483	2.0
135.04437	1.9
137.06012	6.1
145.02994	2.4
145.04965	54.6
147.08069	2.2
163.03922	3.6
163.04588	1.3
163.06020	26.4
163.07390	2.3
165.05544	1.3
166.08647	1.4
167.07040	2.2
167.09058	1.5
173.05934	1.1
177.05438	2.6
178.08534	1.2
181.04945	2.1
183.06491	1.6
194.08339	1.6
201.09088	1.5
219.10219	4.3
223.06015	2.0
227.85991	1.1
236.09262	1.9
238.10832	1.6
239.13866	1.5
241.07121	4.3
259.08127	6.6
268.11728	1.1
285.13318	13.2
287.05524	1.7
288.05954	1.9
295.06970	1.8
295.10229	14.1
296.06561	1.8
324.10565	1.5
325.07645	1.8
325.11264	10.5
326.07321	2.4
334.52118	1.1
350.07401	1.8
410.09756	1.3
458.11557	2.4
596.13776	5.0
596.22467	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	596.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01868	2.6
55.05517	10.1
57.03427	4.9
57.07064	4.8
58.63993	1.2
65.03939	2.3
67.05509	65.7
69.03419	2.8
69.06768	1.4
69.07070	12.6
69.26083	7.8
69.26501	3.9
71.04997	2.7
73.02910	2.4
75.04517	1.2
79.05497	41.0
81.03411	2.8
81.07063	73.1
83.08618	6.3
85.02913	2.2
85.06538	2.4
91.05480	24.3
91.83667	1.2
93.07047	52.1
95.04960	2.0
95.08614	54.4
97.02916	1.4
97.06519	2.3
97.10151	3.3
98.20792	2.8
99.04462	1.4
99.08079	2.4
105.07035	17.7
107.08604	32.4
107.80932	1.1
109.02879	5.3
109.06527	2.1
109.10165	33.0
110.03654	1.4
111.04456	2.5
111.08072	1.5
117.07040	6.4
119.08603	14.9
121.09332	2.0
121.10155	31.8
121.35350	1.1
123.11727	16.2
127.03869	2.1
131.08580	17.9
133.10124	12.4
135.10689	1.8
135.11700	27.6
137.13246	5.8
144.76598	1.2
145.10130	15.0
147.11702	10.7
149.09680	1.8
149.13278	18.3
151.14832	3.0
159.11684	12.2
160.32555	1.1
161.13263	12.1
163.11128	1.5
163.14851	16.2
165.12784	2.5
173.13275	14.1
175.14830	3.0
177.12764	1.5
177.16460	6.3
179.14316	2.3
187.14839	11.6
191.00017	2.3
191.14299	1.7
201.16365	1.9
215.18027	2.4
223.16972	1.6
233.18840	1.3
233.22632	3.1
235.71228	1.2
243.21111	33.3
261.22156	100.0
263.23605	1.8
275.23477	1.4
279.23160	2.8
287.05658	2.0
288.05920	2.6
291.23459	1.2
317.24734	1.3
321.44724	1.3
335.25827	27.0
353.26904	43.0
369.24197	2.4
443.27997	2.2
451.21451	2.7
561.27448	11.4
573.34790	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01570	1.0
53.03955	1.9
55.02109	1.1
55.05522	11.2
57.03440	5.2
57.07087	2.4
57.75444	1.0
65.03922	1.6
67.05511	51.9
67.05877	2.6
69.03429	1.3
69.07076	9.6
69.19360	6.9
69.19777	3.3
71.04993	14.0
79.05499	29.5
79.28803	1.1
80.66521	1.0
81.07063	71.7
83.04977	3.7
83.08614	6.0
85.06553	5.4
91.05492	21.7
92.50005	1.1
93.07053	30.4
94.68315	1.1
95.04971	2.9
95.08047	1.6
95.08612	21.5
97.06538	2.5
97.10197	2.9
99.08096	1.1
101.82894	1.1
105.07032	12.3
107.08604	16.1
109.10155	10.6
111.08092	1.4
114.32463	1.0
117.07017	4.0
119.08588	5.8
121.10162	12.0
123.11709	9.7
131.08598	6.4
133.10138	14.1
134.61235	1.2
135.11713	5.0
145.10162	3.2
147.11658	2.2
149.13260	4.6
151.11172	3.9
153.12738	1.3
159.11745	5.3
161.13284	2.5
173.13297	2.2
177.12889	1.5
183.13849	1.5
187.13353	3.5
195.13734	1.7
197.13196	1.2
201.91331	1.1
227.16496	1.2
233.29034	1.1
256.35364	1.1
261.22055	1.2
269.17422	3.5
301.20166	17.0
311.29114	1.1
313.69846	1.0
316.02750	1.1
317.24615	1.1
335.25836	34.0
419.60980	1.2
503.37360	100.0
517.38977	5.0
529.39087	6.9
561.41541	55.7
596.47595	1.8
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
53.03946	5.1
55.01871	6.1
55.05513	36.2
55.16380	2.3
56.96553	2.9
57.07075	3.9
64.96837	2.2
65.03951	6.5
65.90544	2.1
67.05507	98.9
69.03436	2.5
69.07074	30.6
71.04993	16.3
71.56957	2.6
79.05496	77.6
81.07063	95.9
83.04993	24.1
83.08611	28.3
85.06553	6.5
91.05484	74.2
91.58404	2.3
93.07054	59.7
95.04998	13.4
95.08615	89.2
97.06541	38.7
97.10175	18.7
105.06377	5.0
105.07038	61.8
107.04891	2.5
107.08598	62.2
109.06559	15.0
109.10167	38.9
111.08089	8.7
115.02332	2.6
115.57942	2.7
117.07013	20.5
119.08589	37.6
119.09361	3.8
121.06531	8.8
121.10149	48.3
123.08060	6.1
123.11692	15.6
125.00034	6.0
125.09673	12.6
129.07022	3.5
131.08575	35.6
133.10144	39.9
135.08064	3.0
135.11711	21.2
137.09663	8.1
138.05429	3.3
139.11176	5.2
141.06990	4.0
143.08540	5.1
145.10130	26.9
147.04393	3.3
147.11667	23.1
149.09627	3.8
149.13284	8.2
151.11183	10.8
155.08441	2.4
157.10144	9.1
159.11699	13.6
161.10744	2.5
161.13310	6.7
164.07080	18.7
168.95764	4.9
171.11723	8.9
173.11890	3.5
173.13222	13.2
175.14781	3.8
177.12860	4.0
182.08109	3.2
183.11694	4.2
186.96866	5.0
187.14877	3.1
189.11221	9.0
189.12819	2.9
193.12183	3.1
195.13861	4.0
197.13329	5.6
204.97736	4.2
211.15015	2.4
213.16467	3.5
215.17924	12.9
233.18988	12.7
239.17938	10.0
249.18546	3.8
251.20056	35.7
257.19040	14.3
259.20645	3.6
261.22049	3.1
262.04715	21.4
263.20105	6.7
275.20093	100.0
293.21133	88.6
311.22159	7.2
487.21356	8.7
507.38354	3.8
525.39117	5.4
543.40350	5.7
561.41388	5.6
596.38269	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	597.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
53.98907	1.1
59.47695	1.1
61.59582	1.3
62.06090	1.3
62.96547	1.1
65.03946	5.1
68.92585	1.1
69.03457	1.3
71.57961	2.0
72.65477	1.2
78.04701	3.5
79.05487	6.4
81.03417	2.6
85.02940	1.7
89.03936	1.8
91.05481	10.1
93.03407	4.1
93.07029	2.3
94.04175	2.1
95.04955	3.0
97.02892	1.6
101.23610	1.4
103.05473	4.0
105.07030	7.1
106.04163	2.7
107.04981	11.5
110.03651	4.9
111.04439	4.1
111.05157	1.5
115.05462	5.0
117.03330	1.3
117.07004	2.9
118.04168	2.0
119.04941	9.0
119.08606	1.8
120.05267	2.1
121.06507	6.5
122.03656	5.0
123.04436	5.2
124.05261	1.9
125.06029	6.4
128.06210	2.8
129.07010	6.5
131.04903	6.0
133.06506	5.1
134.03638	2.0
135.04388	3.4
137.05981	38.9
144.05772	2.4
145.06488	5.7
147.04416	33.4
147.08086	3.7
148.04742	12.0
149.04929	2.8
149.05986	4.9
151.03903	3.0
151.07570	2.0
152.04654	1.7
153.01819	7.6
153.05478	20.5
154.02188	2.6
155.04936	1.8
155.06085	2.8
159.08028	6.1
159.52199	1.3
161.02350	2.0
161.05940	7.9
163.03918	3.2
163.07535	2.0
165.05525	3.0
167.07050	91.7
171.02870	1.3
172.05156	1.8
173.06029	8.0
175.07536	12.0
176.04701	1.9
177.05547	4.6
178.07834	1.8
179.07022	3.6
181.04942	9.9
181.08636	1.6
185.06020	1.7
187.07564	14.9
189.05498	5.5
189.09181	1.9
190.07849	2.6
191.07059	7.5
191.08609	4.2
193.10138	1.4
199.07556	4.9
202.07797	4.6
203.08571	4.8
205.06543	3.4
205.08485	2.7
206.07333	4.4
207.06441	1.7
207.08119	2.9
209.08087	4.3
215.08620	1.9
216.07896	1.6
217.06438	2.6
218.07315	3.7
219.08058	8.0
220.08849	2.9
221.05980	2.0
221.09639	4.6
229.08525	2.0
231.08095	3.3
232.08835	2.3
233.06020	2.7
233.09801	3.3
234.06721	3.9
235.07535	5.9
235.09660	1.8
235.80794	1.4
236.08366	3.5
237.09090	2.3
245.06093	1.9
246.06735	2.0
247.07593	6.5
248.08353	3.7
249.05214	1.4
249.09113	7.0
250.09859	1.8
251.07068	2.4
251.10709	4.8
259.07574	3.1
260.08298	2.6
261.05615	1.9
261.09143	4.2
262.09769	1.8
263.06992	3.9
263.10754	1.5
264.07855	5.8
265.08667	7.9
266.09280	1.6
271.06009	3.1
274.06345	1.4
275.07037	3.8
276.07962	6.4
277.08484	6.1
278.06039	1.2
278.09213	2.6
279.06805	2.2
279.10159	5.6
280.10803	2.3
281.08624	1.3
281.11774	5.8
287.05502	65.9
288.05829	57.1
289.06055	56.1
290.09369	2.8
291.10052	4.0
293.08212	2.7
294.08823	4.2
295.09595	1.9
304.07333	1.9
305.07925	2.0
306.08630	1.6
307.09689	12.6
308.10352	3.4
309.11337	6.6
319.09634	5.6
321.11371	5.9
323.12790	2.5
325.14499	1.3
337.10626	2.2
339.12271	100.0
341.13889	18.9
351.12320	20.6
353.13864	7.3
369.13190	1.8
387.14423	4.5
417.15436	21.6
418.15613	1.5
440.33859	1.4
597.23438	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	597.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05267	0.6
55.05518	7.2
55.22321	0.5
57.03444	7.3
57.07075	0.7
59.68108	0.5
60.36755	0.5
65.03941	1.7
67.05511	32.0
69.03428	2.3
69.06779	0.5
69.07078	6.7
69.55671	3.1
71.04990	0.9
79.05061	1.0
79.05500	14.8
80.36958	0.5
81.07065	26.3
83.04985	1.0
83.08619	2.4
87.04524	0.7
91.04970	0.6
91.05492	8.1
93.07052	18.1
93.07630	1.2
95.04971	1.1
95.08613	19.5
97.06551	1.2
97.10175	0.6
98.98471	6.1
99.04477	0.5
105.07047	4.4
107.08609	8.3
109.06530	0.5
109.10161	7.1
110.61512	0.5
111.04469	0.8
111.08031	0.6
117.07021	1.9
119.08570	3.3
121.10149	6.9
123.11700	1.4
129.05476	0.8
131.08577	2.3
133.10130	2.2
135.11725	3.3
137.13283	0.9
145.10170	1.9
147.11688	1.4
149.13283	1.9
155.01131	1.0
159.11685	0.9
161.13257	1.1
173.02116	1.4
173.13264	1.3
175.14809	0.6
243.21208	1.1
261.22205	2.1
335.25821	100.0
336.26071	0.8
361.17307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3764
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
52.02249	0.3
55.05501	0.6
57.03431	0.7
59.26225	0.3
61.17855	0.3
67.05509	3.0
69.07066	0.7
69.32838	2.8
71.07368	0.3
79.05492	3.1
81.07046	2.4
81.50423	0.3
83.04962	0.5
85.41339	0.3
91.05483	2.4
93.07057	2.6
95.04971	0.7
95.08609	2.1
97.10178	0.3
105.07027	2.0
107.08612	1.4
109.10157	0.9
117.07014	0.5
119.08599	0.8
121.10149	1.0
125.09646	0.3
129.07024	0.5
131.08571	0.5
133.10170	1.1
145.10095	0.6
146.41510	0.3
147.11693	0.8
171.11734	0.4
180.39507	0.3
242.16818	0.4
247.13100	4.0
281.17554	0.4
303.15604	3.2
314.76483	0.3
317.20984	2.1
373.23477	2.7
403.81982	0.3
486.31940	0.4
527.29614	0.6
597.37653	100.0
598.38123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01877	4.3
56.96587	2.4
69.03410	3.1
69.78344	6.5
69.78752	3.6
74.00668	7.6
76.04004	7.5
80.05021	3.7
83.06111	4.4
84.04511	15.4
85.02905	9.4
85.04021	18.6
90.14425	1.6
91.05511	2.1
92.01714	10.0
96.04517	4.5
97.02914	4.5
98.00668	2.1
98.20855	1.7
98.97617	4.7
100.02192	3.3
103.05498	2.7
106.05037	3.7
107.04950	2.5
107.99414	3.6
108.04485	9.9
110.06082	2.3
110.97562	2.1
112.02196	9.5
112.03968	5.1
113.01690	2.3
113.03508	7.0
114.03756	3.4
116.01681	2.9
116.03461	3.2
116.98654	1.7
120.08118	15.6
121.06520	9.0
124.02200	2.7
125.08238	1.8
126.79282	1.9
127.03909	3.7
128.01682	2.6
129.06595	4.6
130.05014	31.6
131.04520	17.0
131.83783	2.0
131.99382	12.8
135.04472	3.8
136.03938	26.8
136.06187	9.1
137.07140	1.6
139.03239	3.1
140.01660	20.3
142.03244	22.7
149.03796	2.9
149.07138	3.9
152.05687	23.7
155.08194	3.4
155.88083	1.7
157.04437	1.7
157.06081	2.3
158.99709	2.0
159.02263	3.2
160.00624	5.0
163.03908	12.3
164.04253	2.3
166.08652	6.1
168.01045	2.5
170.02711	6.1
174.02133	4.3
177.03304	100.0
177.06589	4.8
178.76788	1.8
181.06157	3.9
185.03836	32.0
186.02266	3.5
195.07730	2.1
201.99629	2.0
202.04066	2.3
207.04387	6.6
209.03926	4.2
211.02110	2.1
223.07138	27.0
227.04906	7.4
231.04364	59.8
235.02100	15.4
237.02928	2.8
241.08203	4.8
242.05894	1.9
245.05928	4.5
255.04433	12.4
257.05844	9.7
265.03223	2.1
271.02115	9.2
273.05414	7.9
275.06879	5.0
288.06595	6.5
304.10413	6.6
306.07623	10.5
327.31180	2.0
342.95074	1.8
346.05219	5.6
433.08591	5.5
451.09515	61.2
466.15735	4.9
505.10684	15.1
580.13843	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	598.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.8
53.03942	1.6
65.03928	2.3
67.05512	0.5
69.03437	0.6
69.28515	0.5
70.06567	0.6
71.04999	1.1
75.78596	0.5
79.05476	0.8
79.08406	0.5
81.03424	0.8
81.07063	0.6
83.08627	0.6
84.08159	0.7
85.02916	1.1
91.05482	25.2
93.07056	1.0
94.25511	0.5
95.04971	20.5
97.02898	1.6
99.04459	0.7
100.07638	0.8
100.11263	1.8
103.05476	3.5
105.04509	0.7
106.06573	0.7
107.04951	1.1
109.06509	1.6
111.04424	1.1
117.03396	0.6
119.04945	41.0
121.06513	2.7
123.04433	47.0
130.61287	0.4
134.06015	1.1
137.05981	26.0
144.04498	1.2
145.02867	0.9
145.92693	0.5
147.04420	20.1
152.07060	1.1
160.03880	2.9
162.05504	5.2
163.03922	1.9
165.05492	9.7
167.07034	1.9
176.07089	1.8
177.05507	1.9
178.04970	5.0
182.15443	1.6
188.03490	0.6
192.06560	9.7
194.08133	30.0
204.06607	0.5
205.55804	0.5
206.04517	2.1
210.14922	2.2
220.06056	8.6
224.05623	0.6
236.09155	5.8
238.07126	7.4
248.05470	0.7
254.10262	4.3
266.06702	1.6
274.27100	0.6
280.08170	17.4
287.05481	1.2
288.05869	1.3
289.06119	1.1
290.06378	1.2
298.09204	2.9
356.11353	0.8
383.14810	0.7
418.15549	0.7
434.14484	11.2
444.12946	11.5
580.41180	0.7
598.19208	100.0
599.19293	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01854	1.1
55.22334	0.6
57.03424	0.6
61.02935	1.3
63.31716	0.6
68.47440	0.6
69.03419	1.5
69.63960	4.2
76.75694	0.6
79.05489	2.2
81.02988	1.1
81.03427	13.3
85.02921	10.3
88.83678	0.6
89.73406	0.7
91.05479	2.3
95.04958	1.6
96.40408	0.7
97.02930	4.0
97.52102	0.6
103.05459	2.8
105.07064	1.5
107.04269	1.0
107.04958	8.3
109.02880	0.9
115.05455	4.7
117.07037	12.8
123.04426	3.3
124.05212	1.6
127.03938	6.4
127.48365	0.6
128.04250	1.5
128.06227	1.1
129.07007	1.8
130.04138	1.2
131.04953	1.5
131.08562	3.4
133.06459	1.6
137.05952	0.8
141.06969	1.9
143.04910	1.2
144.05687	2.5
144.06682	0.8
145.04982	1.8
145.06497	28.5
147.04468	0.8
147.08043	1.4
152.04704	0.8
155.04936	0.9
155.06021	3.6
156.05701	6.7
157.06506	1.7
159.08073	5.8
161.06021	3.7
162.07654	1.2
167.03429	1.1
167.07057	44.9
172.05150	0.9
173.05998	53.2
175.03992	1.0
175.07539	0.9
177.05489	2.4
178.05914	1.3
180.08705	4.6
183.06572	1.6
184.05241	2.1
187.07590	4.7
190.06264	31.1
191.07048	2.1
193.08595	2.8
202.06223	3.1
203.07056	5.5
205.08621	100.0
207.06485	1.5
215.07057	0.9
217.08624	37.2
219.08221	1.1
219.10197	4.4
223.09720	2.1
231.08020	0.9
235.09674	31.4
247.07616	1.0
247.09715	6.8
248.08362	1.8
251.10638	0.7
254.52966	0.6
261.08987	1.1
263.10748	0.8
264.07965	0.8
265.10736	36.8
269.08179	1.1
271.09668	1.7
276.07907	1.5
277.08661	0.7
279.10251	0.9
291.10242	1.4
299.09042	0.9
301.06976	0.7
307.09720	0.9
308.10410	1.0
315.08725	4.3
321.07550	0.9
323.12863	2.9
330.11014	6.7
331.11795	2.9
336.09628	0.8
339.12222	1.5
343.11868	0.8
351.12247	3.4
356.12430	1.1
368.12131	1.1
371.14905	3.3
383.14868	11.4
401.16055	13.9
518.33307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01874	8.8
55.05503	5.7
57.03429	3.2
57.06822	1.9
57.07081	20.7
59.67489	1.0
61.02905	1.3
67.05516	10.4
69.03075	1.6
69.03432	19.4
69.07074	7.2
71.05003	9.1
71.08639	16.7
73.02923	7.0
79.05489	2.7
79.29492	1.1
81.02982	1.7
81.03426	24.3
81.07068	13.0
82.08636	1.2
83.04965	1.5
83.08615	6.0
85.02924	12.5
85.10178	8.4
91.05501	3.9
93.07036	4.2
95.05013	1.2
95.08615	18.4
97.02905	29.4
97.06512	1.2
97.10175	3.5
99.04465	51.6
101.02348	1.6
105.07023	2.6
107.08602	2.5
109.02888	43.7
109.10169	8.3
111.04446	2.6
119.08576	1.5
121.06519	1.8
121.10131	2.9
123.11719	3.8
123.64156	1.1
127.03931	100.0
131.08479	1.5
133.10121	1.8
135.11705	1.9
145.03882	1.9
145.04964	16.8
145.10133	1.9
149.06068	1.2
165.16429	1.2
206.07329	1.4
222.75453	1.4
222.77922	1.4
239.23738	15.0
257.24695	2.0
267.02325	1.5
275.20105	6.1
280.20380	1.0
285.03510	7.5
286.03793	4.4
293.21091	1.2
311.25912	2.5
313.27423	1.6
314.27704	2.8
328.84442	1.2
335.25824	3.4
341.10086	1.6
383.22992	2.0
383.27951	32.7
401.29010	55.8
468.07404	1.3
598.29999	12.4
598.38147	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.5
57.03430	4.1
57.07071	5.3
59.08592	2.6
59.85806	2.2
61.30717	2.4
67.05509	65.2
69.07076	16.1
69.29456	2.2
71.05000	15.8
73.16967	2.3
73.84259	2.5
75.46870	2.2
79.05487	17.7
81.07063	98.2
83.08625	12.6
84.38330	2.4
85.06547	7.1
87.04487	3.4
88.88696	2.4
91.05492	23.3
93.07064	19.3
95.08614	32.7
95.09178	4.1
97.06474	4.3
97.10146	5.7
98.20721	5.5
105.07030	9.6
107.08606	14.2
109.10157	17.1
110.01800	2.7
110.72893	2.3
111.08055	3.3
117.07033	4.1
119.08593	5.4
121.10129	5.6
123.11721	15.8
133.10146	14.3
135.11676	3.9
149.13237	5.3
151.11177	3.9
187.13280	6.3
233.24841	2.7
263.61554	3.0
269.17377	4.5
295.95386	2.4
301.20093	17.9
337.27380	33.1
505.31390	4.9
505.38910	100.0
513.79297	2.9
519.40448	4.6
531.39685	6.2
563.43121	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26099	0.1
53.03949	0.3
55.01869	0.2
65.03959	0.2
67.01863	0.3
67.05492	0.3
68.99790	0.4
69.03423	0.5
69.07069	0.2
69.59428	0.7
69.59855	0.4
70.06599	0.5
75.04482	0.2
78.18762	0.2
78.85593	0.2
79.05488	0.8
81.03418	0.7
81.07052	0.5
85.02902	0.3
86.09707	0.2
91.05479	1.2
93.07056	3.1
95.04979	0.3
95.08604	0.4
97.02865	0.5
98.20808	0.2
103.05518	0.3
105.07021	0.6
107.08585	0.7
108.53996	0.2
109.02891	0.3
109.10137	0.4
116.07053	0.2
117.03460	0.2
119.04940	1.4
119.08576	0.3
121.02887	0.9
121.06491	0.6
121.10149	3.4
127.03883	0.2
131.08620	0.2
137.05977	0.8
145.02853	1.0
145.20416	0.2
147.04367	0.1
149.09628	2.0
151.03900	0.2
153.01840	4.5
163.03896	0.7
165.01820	0.3
165.09158	0.2
167.07028	0.2
167.10686	0.3
170.60126	0.2
171.02855	0.7
177.05479	0.5
181.04977	0.2
197.13493	0.2
203.07117	0.2
225.05473	0.5
229.04980	0.3
271.06021	100.0
272.06320	0.6
283.06024	3.0
287.05417	0.2
293.13895	0.5
311.14954	0.3
419.14328	0.9
461.09042	0.2
563.19244	0.3
568.21716	0.2
581.20306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.05508	0.3
64.64537	0.2
65.03940	0.2
67.01879	0.2
67.05521	0.2
68.19677	0.2
68.99812	0.4
69.03413	0.5
69.27209	1.5
70.06607	0.3
71.04987	0.2
79.05502	1.0
81.03417	0.7
81.07048	0.6
85.02936	0.2
91.05493	1.8
92.05816	0.2
93.07050	3.6
95.04963	0.2
95.08591	0.5
97.02900	0.5
97.88550	0.2
98.20718	0.3
102.12232	0.2
105.07051	0.7
107.05003	0.2
107.08595	0.9
109.02920	0.4
109.10148	0.3
119.04939	1.7
119.08585	0.5
121.02903	0.8
121.06496	0.6
121.09330	0.2
121.10159	3.7
121.84566	0.2
123.11671	0.4
127.03866	0.2
131.08557	0.4
134.33551	0.2
137.05992	1.2
145.02853	1.0
149.09636	2.3
151.07520	0.2
153.01837	4.1
158.68394	0.2
163.03912	0.6
165.01805	0.3
167.07059	0.4
167.10788	0.3
171.02899	0.6
177.05505	0.3
179.12990	0.2
180.06578	0.3
203.07018	0.2
225.05469	0.4
229.05016	0.3
243.06667	0.3
247.06139	0.2
271.06027	100.0
272.06430	0.7
277.36652	0.2
279.75323	0.2
283.06036	3.2
287.05447	0.3
293.13925	0.6
311.15073	0.4
363.87634	0.2
381.13916	0.2
401.13562	0.2
419.14883	0.7
436.65753	0.2
437.15897	0.2
535.17133	0.2
581.20142	1.0
599.21686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35374	2.4
64.31197	2.1
67.05487	2.5
69.03412	2.3
69.07036	2.6
71.58375	2.5
73.78822	2.1
79.05489	8.5
81.07055	3.6
85.02879	3.9
88.97443	2.5
91.05478	4.8
93.07033	3.4
95.04929	3.0
95.08611	4.9
103.05479	37.8
105.07041	3.6
107.04967	18.0
109.10129	3.9
119.08587	3.6
121.06521	17.0
131.04913	24.9
133.10115	3.7
137.06021	2.7
145.10173	2.9
149.05983	2.9
171.11731	2.7
180.06531	26.1
186.17302	2.4
222.07658	8.1
314.10397	2.9
321.28204	2.3
328.11826	36.9
370.12851	100.0
476.17169	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03732	1.6
53.03951	14.4
55.01871	9.3
55.05509	10.3
57.03437	17.3
59.05014	1.9
61.02931	9.0
61.06060	1.5
64.18443	1.2
65.03944	2.4
65.25233	1.4
65.72469	1.4
67.05170	2.4
67.05507	38.1
68.99804	8.3
69.03432	70.1
69.07061	6.3
71.01375	2.0
71.04995	12.9
73.02915	10.7
79.05498	48.6
81.03420	68.0
81.07059	36.4
83.01378	1.2
83.04980	4.6
83.08604	5.4
85.02907	100.0
85.06529	3.8
87.00833	37.2
87.04418	2.8
91.03963	2.0
91.05485	38.5
92.53487	1.3
93.07045	44.5
95.02394	1.4
95.04983	7.7
95.08612	24.9
97.02895	33.7
97.06527	4.0
97.10202	1.8
99.04465	22.9
101.02401	2.0
103.03948	6.7
103.05440	2.3
105.01190	1.6
105.01870	25.8
105.07037	21.8
107.04959	1.6
107.08595	24.2
109.02885	57.0
109.06497	1.8
109.10199	7.7
111.04485	2.1
111.08125	1.6
112.10412	1.3
117.01838	5.1
117.05521	1.6
117.06996	8.4
119.08586	19.0
121.06506	12.5
121.10147	30.5
123.08029	2.5
123.11729	2.7
127.03924	90.8
128.06142	1.5
129.01840	7.5
129.05499	2.0
129.07001	5.3
131.08583	14.4
133.10141	15.9
135.08058	2.1
135.11708	19.8
137.09633	1.7
138.09152	1.4
143.03360	2.5
143.08537	3.5
144.08139	1.6
145.04980	21.0
145.10110	8.9
147.02892	6.3
147.08046	1.7
147.11702	10.3
149.09633	2.3
149.13274	5.1
151.11125	1.5
155.08577	2.4
157.10104	4.9
159.02907	24.0
159.11696	9.8
161.04564	1.5
161.13274	4.5
163.11215	2.6
163.14806	1.7
169.10106	1.8
171.11641	4.3
173.13287	3.7
175.14896	1.9
177.12688	2.3
183.06544	3.8
185.13274	3.7
189.03943	5.3
199.14856	1.5
201.07529	2.6
213.03963	5.2
213.16397	1.8
230.87671	1.3
231.04994	19.2
235.16866	1.9
239.11893	2.3
241.19487	4.1
247.20757	1.4
251.11705	1.6
259.20642	10.8
277.21701	6.8
279.11282	3.1
287.07458	1.7
301.21622	1.5
305.08609	2.3
333.24353	6.7
337.53394	1.4
351.25323	38.7
375.25339	1.8
444.18866	2.2
448.37708	1.7
469.04807	1.7
476.21829	2.8
567.26672	1.5
599.30548	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	599.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01855	0.6
55.05515	9.5
57.03442	6.1
57.07070	1.5
64.29628	0.4
65.03931	1.3
67.05508	24.2
69.03419	1.9
69.06726	0.8
69.07072	12.3
71.04984	1.3
71.08627	0.7
79.05498	6.2
81.07061	25.4
83.04973	0.9
83.08620	6.4
84.13693	0.5
85.06559	0.5
91.05495	4.3
91.18536	0.5
93.07063	6.5
95.04984	0.7
95.08611	17.6
97.06526	1.7
97.10178	3.3
98.98477	7.2
99.08130	0.5
105.07015	3.4
107.08607	4.3
109.10155	5.9
111.08055	0.6
119.08568	2.6
121.10159	3.1
123.11696	3.0
125.09663	0.6
129.05457	0.5
133.10126	2.9
135.11705	1.6
137.13213	1.1
145.10149	0.5
147.06528	0.6
147.11697	1.6
149.13240	1.4
155.01048	2.5
161.13330	1.1
163.14792	0.6
173.02115	1.3
175.14836	0.7
177.16367	0.6
189.16357	0.6
221.15340	1.5
245.22658	1.2
263.23682	3.6
337.27386	100.0
338.27750	1.0
512.66974	0.5
523.65613	0.5
599.41034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.1
50.34842	0.1
51.02382	0.2
51.47575	0.1
53.03950	0.8
55.01878	0.1
65.03947	0.2
70.10927	0.1
71.48840	0.1
75.17117	0.1
77.03923	0.4
81.03416	0.2
85.02901	0.2
91.05486	4.1
93.03396	0.1
93.07053	6.3
95.01318	0.1
95.04981	1.2
97.02858	0.1
98.21066	0.1
102.04705	0.1
103.05476	4.3
104.46196	0.0
105.04528	0.5
107.01717	0.1
111.04473	0.1
121.06513	100.0
122.06828	0.4
123.00809	0.3
127.03934	0.1
135.04424	0.1
149.02357	1.1
153.05443	0.1
155.03391	0.1
163.03951	0.2
167.03423	0.5
181.04959	1.4
191.03426	0.7
205.04970	0.1
209.04448	0.4
223.06030	2.0
241.07051	0.1
251.29938	0.1
265.07080	0.4
271.88983	0.1
329.10187	0.4
361.12793	0.1
371.11026	0.1
403.13730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01841	0.4
56.53579	0.5
65.03920	0.6
67.05512	0.5
69.03421	0.7
70.06583	1.0
71.04990	0.7
71.57507	0.7
79.05493	1.7
81.03411	0.8
81.89694	0.4
85.02902	1.1
91.05473	1.4
93.03410	2.2
93.07036	1.2
95.01330	1.6
95.04973	0.9
97.02876	1.2
99.50543	0.5
107.04943	2.2
111.04449	2.7
121.02877	13.3
121.06511	22.0
123.00800	7.2
127.03909	0.6
128.07080	0.6
135.04424	3.5
139.03879	1.2
141.01796	1.8
144.39012	0.4
145.02849	1.7
147.04381	0.6
149.02353	30.3
153.05492	4.6
155.03400	2.9
163.03917	7.7
167.03415	7.7
173.02296	0.8
177.05469	1.4
181.04964	58.8
191.03397	22.4
195.08095	0.8
199.07550	1.1
205.04927	3.8
209.04459	5.6
213.09082	0.6
217.08669	0.5
219.58784	0.6
223.06018	100.0
233.04425	0.6
241.07033	1.5
241.08928	0.7
261.66931	0.6
265.07083	14.8
269.08035	1.6
283.08127	1.7
287.09161	3.2
301.10812	0.8
311.09167	1.9
329.10208	6.2
347.11322	0.6
361.12695	3.9
403.13852	2.0
420.17392	1.5
600.23523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25960	0.3
56.75351	0.3
69.03420	0.8
71.05015	0.3
71.37687	0.3
71.58031	0.3
81.03412	0.3
85.02917	1.9
91.05469	1.7
92.93708	0.3
96.04601	0.3
97.02886	1.4
98.19689	0.2
103.05457	0.4
105.07044	0.8
107.04947	0.8
115.05440	0.9
116.06206	0.7
117.07050	0.7
119.04904	0.4
128.06218	1.5
129.07018	5.0
131.08572	6.2
133.06474	1.1
137.05984	0.9
141.06990	1.8
142.07793	0.7
143.04921	0.4
143.08574	1.4
144.05707	2.3
145.05025	0.4
145.06480	1.8
146.07272	1.0
147.04396	0.8
153.07022	0.6
155.06049	0.5
156.05682	0.6
157.06464	3.2
158.07217	0.6
159.08066	11.1
161.05998	0.6
161.09642	2.0
162.07573	0.5
163.03918	0.6
167.07077	2.5
169.06395	0.4
169.07649	1.2
170.07288	2.4
171.04453	0.3
171.08061	1.6
172.05208	0.8
173.06006	1.4
174.06757	0.6
175.07552	1.1
177.05473	0.5
180.08708	0.9
185.05861	0.3
187.07565	7.9
189.05524	0.6
189.09114	3.2
190.06305	0.6
198.06786	0.5
199.07484	1.4
203.07056	1.5
204.07826	4.6
205.08615	0.8
206.09361	0.5
207.06511	0.6
207.09998	0.3
216.07857	1.6
217.08595	0.7
218.09438	0.5
219.10127	1.8
221.08127	0.5
221.11708	1.3
231.10184	2.8
233.11732	0.4
234.08905	0.8
237.11137	0.8
240.48042	0.3
249.11232	100.0
250.11603	1.0
267.12247	1.8
273.77820	0.3
366.52484	0.4
522.42651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01872	1.0
55.05518	3.4
56.05040	1.0
57.07082	1.0
57.98811	0.6
58.99586	18.4
61.01131	0.5
65.03951	0.8
67.05508	7.4
69.03435	1.0
69.07067	4.9
71.04993	1.4
71.57271	0.6
72.08142	0.8
73.01126	0.5
76.02229	70.0
76.03996	2.4
79.05491	5.6
80.05015	0.8
80.88795	0.4
81.03405	0.9
81.07061	10.6
83.04975	2.2
83.06107	1.7
83.08618	1.8
84.04034	1.1
84.04506	12.1
84.08131	0.7
85.02906	1.0
86.06087	0.4
86.99039	3.3
88.02215	1.2
89.23112	0.5
91.05481	6.8
93.07040	10.5
95.04980	2.1
95.08605	7.7
97.06568	1.2
97.10168	0.9
98.00627	0.6
99.05610	1.0
103.05476	1.5
105.06363	0.9
105.07029	9.4
107.04961	2.3
107.08595	6.3
109.06521	3.9
109.10152	3.5
111.08095	1.1
114.03759	0.9
116.01682	20.0
117.07001	2.0
119.08591	6.7
121.06516	9.5
121.10155	3.5
123.08041	2.3
123.11672	1.1
125.09642	0.6
129.06691	1.0
130.04337	0.5
130.05034	5.4
131.08577	6.4
133.06480	1.0
133.10114	5.8
135.08037	1.4
135.11665	2.5
137.09630	0.8
142.03226	6.3
143.08582	1.6
144.01146	11.7
145.06413	0.7
145.10114	4.7
147.08047	1.3
147.11685	4.0
149.09610	1.8
149.13324	0.8
151.11185	1.5
157.10123	1.4
159.08040	1.0
159.11716	3.4
161.09637	2.0
161.13213	1.1
162.02208	40.7
163.11174	1.8
164.07080	0.8
170.02716	3.2
171.11714	0.8
173.09674	1.1
173.13284	1.4
175.11162	1.6
177.12767	1.1
179.04857	100.0
183.11674	0.7
187.05307	3.3
187.11281	1.1
189.12740	0.6
191.14355	0.9
201.12668	0.7
207.13748	1.8
211.14845	0.7
213.16293	0.5
215.04846	1.4
215.17825	0.6
219.13828	1.0
222.07591	0.6
228.91299	0.5
229.19444	1.1
233.03497	0.7
233.05885	12.4
239.17995	1.2
245.05817	3.4
247.20647	0.9
257.19043	3.5
273.18497	3.1
275.20056	28.7
278.52963	0.5
290.07907	0.9
291.06412	2.2
291.19724	2.4
293.17780	1.0
293.21106	21.5
308.09088	30.7
351.19669	0.9
368.22488	10.6
420.21426	0.7
453.24219	6.0
454.22516	0.7
471.25302	2.4
507.25125	0.6
525.26306	3.6
582.28180	1.5
600.21118	0.7
600.29596	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	600.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01875	1.7
55.05521	3.8
57.98805	1.5
58.99593	16.1
61.33289	0.8
64.94011	0.7
65.03938	1.1
67.05511	8.4
69.03437	1.2
69.07073	4.5
70.06587	0.8
71.56358	0.9
71.56787	1.3
75.47260	0.7
76.02235	70.1
76.03983	1.6
79.05499	6.3
81.07073	7.9
83.04983	2.1
83.06113	1.6
83.08619	1.7
84.04040	1.1
84.04515	12.6
86.99059	3.6
88.02224	1.3
91.05482	5.1
92.71481	0.8
93.07057	8.5
95.04971	2.7
95.08608	6.0
97.06530	0.8
97.10174	1.1
105.07043	9.2
107.04952	2.5
107.08601	5.7
109.06526	3.8
109.10159	3.4
116.01691	18.9
117.06998	3.2
119.08612	4.2
121.06506	6.0
121.10145	2.9
123.08083	2.2
129.06639	2.5
130.05034	4.6
131.08592	6.7
133.06519	1.1
133.10132	7.0
135.08047	1.5
135.11696	2.2
137.09575	1.0
142.03252	7.0
144.00127	1.4
144.01175	10.9
145.10132	4.7
147.08121	1.5
147.11725	3.6
149.09615	2.3
157.10133	1.2
159.07996	1.0
159.11707	2.8
161.09680	1.9
162.02223	42.6
163.11133	1.9
170.02682	2.4
171.11652	1.4
173.09497	1.3
173.13318	2.2
175.11206	1.1
177.12744	1.0
179.04871	100.0
185.13110	1.3
187.05370	3.0
187.14679	1.0
187.78857	0.8
189.12816	1.1
201.12828	1.3
207.13765	1.7
215.04887	1.7
215.17842	1.2
233.05904	11.3
239.17891	1.2
241.31688	0.8
245.06000	2.9
257.18979	3.5
272.44962	0.8
273.18503	3.8
275.20105	28.8
290.08197	1.3
291.06451	2.9
291.19482	3.3
293.21133	20.9
308.09125	34.6
368.22559	9.1
378.21219	0.8
402.67252	1.0
453.24219	6.6
471.25308	2.2
525.26471	4.2
582.28229	1.0
600.29486	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	600.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.05528	26.7
57.07068	8.9
62.58063	4.6
65.03953	5.5
66.92046	5.2
67.05508	40.0
69.03426	11.6
69.07071	29.5
71.05013	5.8
71.57986	9.0
79.05506	39.6
81.07072	43.6
83.04976	16.0
83.08620	18.8
85.06551	7.5
89.05996	14.6
91.05484	64.4
92.06298	6.2
93.07059	61.7
95.04970	19.6
95.08607	48.5
97.06548	12.9
105.07035	100.0
107.08607	70.0
109.06505	19.5
109.10162	40.2
111.08061	7.0
117.07021	18.1
119.08588	79.6
121.06503	19.5
121.10152	69.9
123.08084	33.0
123.11748	7.6
125.09605	17.2
126.48023	5.1
128.06244	18.9
129.06990	24.3
130.07764	8.7
131.08575	49.7
133.06499	11.1
133.08595	12.3
133.10135	51.1
135.08076	17.2
135.11697	17.8
137.09618	12.1
141.07014	11.6
142.07762	30.2
143.08562	54.7
144.09302	16.2
145.06490	5.8
145.10123	67.2
147.08063	15.4
147.11699	38.9
149.09601	16.9
149.13252	6.2
151.07527	10.9
154.07796	7.6
155.08604	28.2
155.10657	14.4
156.09386	29.4
157.10129	73.1
158.10895	7.3
159.08080	23.9
159.11684	45.0
160.08867	9.6
161.09633	16.8
161.13271	8.1
163.11148	8.0
165.07047	8.8
165.09082	6.3
167.08572	13.4
167.10670	16.5
168.09319	8.2
169.10141	32.0
170.10875	18.2
171.11720	37.8
172.12466	6.5
173.09602	8.3
173.13271	31.3
175.11211	12.5
177.11282	6.1
179.08560	15.2
180.09352	11.9
181.10155	19.8
181.12257	8.1
182.10898	11.7
183.10263	5.6
183.11681	39.1
184.12460	12.4
185.13260	23.4
187.11176	7.4
187.14818	8.7
189.12822	9.5
190.13457	7.3
191.14230	8.6
192.61308	5.3
193.10133	14.5
194.10883	11.5
195.11661	36.9
196.12543	9.0
197.13286	30.6
199.11200	13.9
199.14873	15.8
201.12683	7.0
203.14333	15.6
207.11781	11.9
208.12529	6.6
209.13284	24.0
211.14827	21.2
213.12825	8.1
213.16405	7.2
215.14325	16.9
217.78397	6.5
221.13252	18.8
221.15419	23.7
223.14861	22.7
225.12579	8.0
229.15979	8.2
232.12549	5.8
233.13242	11.6
233.15373	20.4
233.86665	5.7
234.16122	8.6
235.14824	18.5
237.16403	16.2
249.16525	13.2
251.17984	9.0
253.16031	7.9
255.17438	41.3
259.14798	8.0
261.16397	8.2
263.17923	9.4
270.19916	6.8
273.18753	5.9
275.17831	9.0
295.20514	5.9
299.20151	10.3
365.24710	12.9
383.25821	13.0
385.25793	5.7
582.40131	8.6
600.40918	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	600.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.9
54.25642	4.0
54.70631	4.2
55.05508	30.7
56.23450	4.8
57.03439	5.5
57.07082	11.4
66.38819	4.5
67.05511	92.0
69.07083	44.6
71.04987	10.7
71.08659	5.7
71.39390	8.7
71.39709	5.5
79.05499	52.9
81.07066	100.0
83.08622	20.8
85.06546	9.7
89.06011	9.0
91.01388	4.9
91.05488	40.4
93.07056	56.0
95.04936	8.0
95.08618	59.2
97.06519	6.0
97.10178	24.0
99.08102	11.2
100.15793	4.6
100.29974	4.7
105.07059	30.8
107.08598	48.3
109.10174	35.4
111.08128	4.9
116.07160	7.6
117.07062	6.7
119.04952	10.7
119.08598	21.1
121.06512	10.6
121.10159	56.4
123.11728	15.2
125.09636	16.1
129.07033	6.1
129.22113	5.0
131.08568	13.5
133.10127	30.4
135.11708	67.4
145.10114	10.6
147.04448	40.8
147.11670	21.8
149.13266	24.7
151.11176	5.0
159.11691	10.3
161.13260	16.5
163.11186	4.5
163.14828	6.6
171.11658	8.7
175.14842	8.2
177.16328	6.4
185.13144	5.2
189.11153	6.8
189.16403	6.8
195.13773	4.9
201.16447	7.1
203.17818	5.4
215.17960	7.2
217.19527	8.6
219.03348	4.4
235.20602	8.7
241.19495	6.4
251.20035	25.6
253.21803	6.3
259.20581	19.6
267.55072	4.6
269.21158	5.0
277.21664	74.7
295.22742	38.2
313.23682	9.9
339.29010	8.0
493.40350	9.0
511.41220	26.2
529.42712	28.3
547.43506	13.5
565.44629	6.5
583.45520	5.9
600.41632	8.2
601.40375	13.8
626.88458	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	600.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.05516	19.6
56.66183	1.7
57.03442	2.9
57.07091	3.8
67.05511	74.8
67.05875	4.2
69.07071	24.2
70.85577	5.0
71.04989	8.6
71.08616	1.9
73.94358	1.8
79.05495	26.6
81.07066	100.0
83.04981	3.5
83.08625	17.2
85.06540	6.7
89.06020	8.4
90.25151	1.6
91.05480	15.3
93.07053	33.3
94.93703	2.0
95.04959	2.2
95.08616	92.9
97.06528	8.5
97.10176	14.0
99.08101	3.6
105.07047	11.6
107.08595	24.2
109.06497	3.5
109.10170	48.5
111.08088	7.7
111.11711	4.4
116.67850	1.7
117.07047	3.5
119.08609	15.3
121.06516	3.9
121.10143	27.1
123.08078	2.8
123.11714	20.5
125.09641	2.4
131.08592	9.8
133.08592	4.8
133.10149	17.0
135.08101	2.7
135.11717	25.0
137.09660	4.3
137.13263	10.3
139.11150	2.9
145.10161	12.0
147.11713	12.5
149.13268	11.3
151.11176	7.6
151.14828	4.9
155.10713	3.0
159.11676	6.5
161.13269	10.1
163.14819	4.1
165.12761	5.0
169.12238	1.8
173.11819	3.6
173.13318	5.2
175.14830	2.0
179.14339	6.4
181.12219	3.1
187.14816	4.3
189.36902	2.0
195.13803	4.2
215.18030	10.5
223.16832	3.6
233.18988	5.9
237.18227	2.1
243.21065	8.1
247.24272	2.4
251.20074	35.2
261.22186	20.0
265.25287	8.0
269.21167	3.0
279.23209	97.9
295.22766	3.6
297.20895	2.9
297.24268	60.2
315.25348	6.1
339.28915	7.4
357.29672	2.0
373.65030	1.8
415.25275	3.5
511.41238	2.7
518.84766	2.0
529.42639	4.4
547.43762	2.8
565.44543	15.7
600.40521	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3351
Annotation	Dianthin E
Peak:m/z	Relative Intensity
55.05510	1.8
57.07068	1.4
57.55149	1.0
67.05515	3.3
69.07069	4.3
70.05008	1.1
70.76398	1.7
70.76759	2.8
79.05505	3.4
81.07065	5.1
83.08636	1.2
87.04478	7.6
89.06037	7.8
91.05489	5.3
93.07056	4.8
95.08630	3.5
97.06532	1.1
101.25790	1.1
102.13372	1.3
105.07055	4.2
107.07971	1.1
107.08588	5.7
109.10181	3.4
114.64365	1.1
117.07020	1.1
119.04971	5.8
119.08597	6.5
121.10156	4.4
130.07776	1.0
131.08604	2.3
133.08638	4.5
133.10167	5.4
135.11760	3.4
143.08577	2.7
145.10155	4.4
147.04428	15.3
147.11719	2.3
149.09680	1.6
149.13274	1.2
157.10117	1.9
159.11749	3.9
161.13364	1.5
163.11220	1.7
165.09172	1.6
175.14825	2.0
177.16403	1.7
189.16466	2.3
201.16396	2.0
203.18054	2.3
221.15430	2.0
270.98755	1.4
339.28918	6.0
437.34564	1.6
504.91132	1.3
510.13632	1.2
578.34308	1.3
601.26379	8.0
601.33740	100.0
602.34735	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
57.07074	1.4
57.39448	0.6
65.03934	1.4
67.05511	3.0
69.07072	3.1
69.07407	0.5
76.09439	0.6
79.05486	2.5
81.07065	5.4
83.08612	1.8
83.96429	0.6
84.33809	0.7
87.04470	8.5
91.05486	17.4
93.07055	4.2
95.08614	9.9
97.10169	1.3
105.07044	7.3
107.04908	0.5
107.08592	8.2
109.10165	4.6
117.07028	1.3
119.04952	30.1
119.08585	11.0
121.06568	0.9
121.10152	7.3
123.11710	2.4
129.07033	1.1
131.08586	2.5
133.10130	9.2
135.11690	6.0
137.13264	0.8
143.08572	1.0
145.10129	5.8
147.04419	100.0
147.11687	7.2
149.13277	2.2
153.09117	1.1
157.10115	1.0
159.11684	5.1
161.13264	4.1
163.14876	1.7
167.10724	0.7
171.11748	1.6
173.13268	2.5
175.14867	2.7
177.09055	1.0
177.16383	5.0
185.13358	0.8
187.14763	1.4
189.16394	8.7
191.17909	1.7
199.14862	0.9
201.16394	9.6
203.17972	13.6
205.19516	0.7
213.16475	1.3
215.17989	5.6
229.19536	0.9
235.16922	1.0
243.21049	1.2
247.16983	5.6
255.21124	1.1
261.18466	3.7
269.22656	0.9
295.24274	0.7
315.23260	0.8
339.28897	1.0
391.33722	2.8
392.50034	0.6
402.81564	0.8
409.34683	1.9
427.76620	0.6
437.34204	18.4
510.14008	0.7
601.26154	2.0
601.39783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
55.55912	0.3
57.07087	0.3
67.05508	1.4
69.07082	1.5
74.15189	0.3
74.92695	0.3
79.05508	0.6
81.07072	2.2
83.08636	0.8
91.05479	2.0
93.07066	1.1
95.08610	2.0
97.10198	0.5
98.98470	1.0
105.07063	0.9
107.08614	1.2
107.25736	0.3
109.10192	1.0
117.06989	0.6
119.04968	1.6
119.08620	1.2
121.06491	0.3
121.10162	1.3
123.11745	0.5
131.08525	0.5
133.10146	0.7
135.11723	0.7
143.08397	0.3
145.10175	0.5
147.04424	6.2
147.11685	0.5
155.01064	0.7
189.16399	0.6
201.16486	0.6
203.17996	0.7
212.91862	0.3
223.32944	0.3
291.19312	1.0
317.17801	0.5
333.20389	8.7
339.28860	2.4
383.20673	0.4
437.34427	0.7
601.40845	100.0
602.41162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10664	3.6
53.03940	8.5
55.01861	4.8
55.05512	27.6
57.07074	8.6
57.42758	3.3
59.05003	3.6
59.09523	3.5
65.03960	5.8
67.05503	43.4
68.05841	5.9
69.03429	18.5
69.07075	37.3
70.62706	4.3
70.63030	8.0
71.04969	7.3
79.05063	4.4
79.05495	38.0
81.06577	5.6
81.07059	67.2
83.04986	25.4
83.08636	20.0
84.08926	3.5
85.06525	8.7
87.04432	5.0
89.06004	6.4
91.05486	53.7
92.05781	5.4
93.07047	90.2
95.04985	22.1
95.08620	54.5
96.08894	5.9
97.06528	16.0
97.10186	6.0
105.06310	6.1
105.07028	100.0
106.07330	5.7
107.04987	7.1
107.08600	81.1
108.08904	5.6
109.06506	14.4
109.10168	40.6
111.08061	6.8
111.48102	3.7
115.05445	7.3
116.06225	3.5
117.07033	24.0
119.08585	96.1
120.08897	8.4
121.06514	18.0
121.10150	90.8
122.10522	3.6
122.92270	3.3
123.08069	24.4
123.11694	15.5
125.09631	10.0
128.06215	16.6
129.07047	19.9
130.07822	9.4
131.08578	48.8
133.10144	61.3
134.10483	4.9
135.08081	22.6
135.11694	24.6
137.09593	11.9
139.11169	7.4
141.06966	7.0
142.07736	24.2
143.08577	48.5
144.09309	10.5
145.06450	6.5
145.10132	77.4
147.08051	11.7
147.11699	26.4
149.09633	23.0
149.13231	6.6
151.07484	6.2
153.06920	4.1
155.08609	17.7
155.10686	7.2
156.09410	20.5
157.10153	60.1
158.10863	7.9
159.08034	14.9
159.11714	44.3
160.12144	4.5
161.09593	17.9
161.13319	10.2
163.11159	10.3
165.06961	4.3
165.09088	13.3
165.12825	4.4
167.08525	10.0
167.10693	52.8
168.09312	6.6
169.10106	29.6
170.10834	10.3
171.08069	4.4
171.11728	34.6
172.12212	5.7
173.09628	9.2
173.13295	23.4
174.10152	4.0
175.11177	9.8
175.14894	17.6
177.12657	5.5
179.08572	13.2
180.09332	6.0
181.10123	15.3
181.12239	6.7
182.10873	6.4
183.11667	25.2
184.12157	6.4
185.09555	5.6
185.13272	25.6
186.13960	3.9
187.11119	6.8
187.14806	11.5
189.12767	11.4
190.13300	3.6
191.14276	7.1
193.10065	10.2
194.10808	13.9
195.11703	24.4
196.12236	9.7
197.13251	24.1
198.13846	5.1
199.11122	7.1
199.14752	10.6
201.12721	6.3
201.16496	5.3
203.14284	11.4
206.10959	3.8
207.11644	12.2
207.13712	4.4
208.12361	8.2
209.13222	24.7
209.15099	5.3
210.13722	6.1
211.14783	18.5
212.15298	6.5
213.12691	10.2
213.16196	4.4
215.14267	7.0
219.11720	6.0
220.12460	6.5
221.13232	9.8
221.15378	29.6
222.13785	4.1
223.14922	18.2
224.15454	3.9
225.12813	4.7
225.16434	9.5
227.14275	9.4
233.13179	6.8
233.15302	24.4
234.15828	4.6
235.14774	9.6
235.16916	5.2
237.16458	10.2
239.14293	3.9
239.17975	4.9
244.12700	5.8
249.16277	5.3
255.17421	6.4
256.17609	7.1
259.14655	7.2
261.16318	5.2
263.17941	8.8
265.19611	6.0
265.25443	5.5
266.25595	9.7
269.19052	9.4
275.17761	4.4
281.18793	5.7
283.20584	5.3
298.24625	4.5
299.20245	6.7
301.21686	4.0
307.20792	4.8
339.28958	10.3
340.29523	4.9
343.24289	5.3
366.34299	4.0
408.17270	3.8
508.92633	3.7
565.39844	6.4
583.40979	14.7
601.43195	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	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
53.32871	3.7
53.74243	3.4
55.05524	19.0
57.07068	12.3
59.42738	3.9
60.51197	4.0
61.80120	3.9
62.77550	4.1
67.05508	37.9
69.03426	14.1
69.07080	24.3
69.27886	39.7
79.05482	32.8
81.07065	47.1
83.04981	18.0
83.08621	15.5
85.06518	6.9
89.06036	6.2
91.05484	63.7
93.07044	85.0
95.04981	23.1
95.08604	41.2
97.06516	12.8
97.10136	4.6
103.05467	6.0
105.07032	100.0
107.08589	73.1
109.06503	16.7
109.10150	31.9
111.08062	9.3
115.05447	7.5
117.07037	19.8
119.08586	92.2
121.06520	9.9
121.10144	71.6
122.45119	3.6
123.08036	24.7
123.11706	15.2
125.05998	8.2
125.09649	12.0
128.06224	12.9
129.06987	16.7
130.07764	8.6
131.08549	43.8
133.06519	8.5
133.08606	5.4
133.10143	63.4
135.08046	19.5
135.11703	30.3
137.09630	13.7
139.11093	7.5
141.06999	8.6
142.07774	23.9
143.08559	44.0
144.09360	6.4
145.10126	60.9
147.08035	22.3
147.11690	29.6
148.99693	3.9
149.09627	19.0
151.07567	20.3
155.08565	21.0
155.10626	4.6
155.16542	3.8
156.09325	19.6
157.10141	56.3
158.10767	4.7
159.08064	12.2
159.11688	39.4
161.09604	16.9
161.13292	9.7
163.11208	14.4
165.07013	8.4
165.09096	42.5
167.08568	9.5
167.10699	45.5
169.10127	25.2
170.10873	6.8
171.11693	39.7
173.09502	5.4
173.13281	23.5
175.11176	11.8
175.14809	16.8
177.12743	7.1
177.31129	4.6
179.08556	9.4
180.09293	4.7
181.10123	17.7
181.12227	14.0
182.10889	11.5
183.11758	26.2
185.13216	16.4
187.11122	7.0
187.14810	13.4
189.12674	6.8
191.14337	7.4
193.10164	12.9
194.10872	11.5
195.11682	16.2
196.12402	10.8
197.09615	4.8
197.13295	23.5
199.14847	15.9
201.12704	5.0
203.14313	18.2
207.11662	12.8
207.13757	10.7
208.12413	9.9
209.13223	28.0
209.15028	5.5
211.11046	4.4
211.14818	16.9
213.16341	7.4
215.14499	5.0
217.15901	7.6
219.11781	6.0
220.12416	5.4
221.13306	8.7
221.15331	85.7
222.15869	6.7
223.14899	11.5
225.12781	8.2
225.16479	6.0
227.14313	5.1
233.13243	8.9
233.15443	20.8
237.16443	7.9
240.75412	4.0
247.14742	6.7
249.16336	6.7
251.18042	6.4
259.14783	4.9
263.17871	7.5
265.19565	6.6
275.17719	4.6
283.20639	5.5
287.20081	4.3
295.20563	4.7
299.20096	7.1
300.20706	9.2
304.71609	4.9
345.61118	4.7
349.25287	4.8
352.23969	6.8
353.24261	5.0
365.24637	5.1
375.26709	6.6
503.34735	6.4
565.39893	6.1
583.41449	21.2
601.32745	23.1
601.42084	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.1
56.96567	9.5
69.03427	1.4
69.07086	1.1
69.53603	4.6
69.54018	2.1
70.98125	10.4
79.05491	1.4
81.07053	2.3
85.02889	1.9
88.99147	1.7
91.05478	3.2
93.07054	1.9
95.08619	1.9
96.56590	0.9
97.02863	1.6
98.97611	1.9
105.07041	2.2
107.08585	1.8
109.06543	1.0
109.10165	1.7
110.76635	0.9
119.08546	1.3
121.06516	3.1
133.10188	1.3
135.04428	1.9
137.05997	4.1
145.02838	1.4
151.63789	0.9
159.11720	1.2
163.03920	8.6
164.07079	1.8
180.06544	2.8
189.04312	1.0
193.01753	3.7
194.08131	2.2
206.04584	2.4
211.02876	3.2
232.13390	6.4
234.14951	1.7
253.03827	1.4
271.04965	1.8
277.03690	1.7
278.13937	4.3
295.04791	3.3
325.09271	1.2
352.10620	1.3
362.13647	100.0
364.10901	1.9
368.17047	7.2
370.11740	1.5
382.11856	7.0
406.12680	15.3
428.20880	2.3
466.16193	3.2
513.16858	2.5
526.18359	1.8
545.15259	1.1
558.21118	3.2
560.23169	2.8
601.37665	1.2
602.19958	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47960	0.3
58.75711	0.3
59.12831	0.3
65.03941	0.8
70.06303	0.4
70.06607	3.9
70.23740	1.1
81.07056	0.6
85.02911	0.4
86.09705	0.3
91.05488	17.4
93.07067	0.5
95.01354	0.3
97.02917	0.4
98.20813	0.4
109.02942	0.3
109.06502	1.0
112.07613	3.5
119.04958	11.1
121.02932	0.3
121.06494	1.4
123.00842	0.5
137.05988	100.0
138.06308	0.5
139.03918	0.4
140.07050	2.1
149.02316	0.7
158.08174	0.7
163.65289	0.3
167.03407	1.9
167.06984	0.4
191.03360	0.6
209.04451	1.2
266.10248	0.4
284.11267	1.1
302.12000	0.4
303.08673	0.8
313.10147	0.4
316.07947	0.6
345.09723	1.8
353.40512	0.3
404.10037	0.4
405.11896	0.5
454.52621	0.3
539.79950	0.3
602.18152	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65029	0.2
56.72993	0.2
62.68921	0.2
65.03931	0.7
69.59886	0.4
69.60295	0.9
70.06610	0.2
71.05001	0.2
81.07047	0.4
81.77151	0.2
85.02928	0.4
89.84947	0.2
91.05484	16.3
97.02885	0.2
98.21497	0.2
102.18521	0.2
103.05484	0.4
109.06540	0.9
119.04948	9.9
121.02898	0.2
121.06525	1.3
123.00784	0.6
135.04413	0.2
137.05983	100.0
138.06339	0.3
139.03880	0.2
141.01839	0.3
147.47401	0.2
149.02315	0.8
151.03891	0.2
163.03929	0.3
165.05391	0.2
167.03410	1.9
179.07048	0.3
187.07631	0.3
191.03383	0.5
209.04456	1.1
217.66338	0.2
220.80569	0.2
249.11223	0.3
250.11447	0.3
251.11633	0.5
290.10083	0.3
303.05173	0.3
303.08603	0.6
316.08206	0.8
345.09729	1.7
373.67838	0.2
387.10776	0.2
404.09677	0.3
405.11838	0.5
542.16248	0.4
554.01526	0.2
587.53894	0.2
602.18549	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00266	0.4
55.05514	1.6
56.05030	0.6
56.05843	0.4
56.96566	0.4
57.07078	5.3
58.06587	2.0
65.03941	0.9
69.03445	0.7
69.07067	0.8
70.06593	18.9
71.08633	3.9
71.58646	0.6
72.08155	4.4
73.08492	0.9
74.06088	0.7
77.10046	0.4
79.05463	0.7
81.07061	1.2
83.04993	0.5
83.35043	0.4
84.08128	0.5
86.09708	1.0
88.07632	21.3
91.05476	2.7
92.05820	0.5
93.07037	0.8
95.08602	0.8
97.02892	1.1
98.06069	1.6
102.09184	13.7
105.07018	0.8
109.10179	0.5
116.07083	1.4
117.07401	0.6
118.08678	0.7
119.04952	1.4
119.08611	0.7
121.06508	2.5
121.10163	0.6
121.90199	0.4
131.04958	1.0
132.10268	0.5
132.92627	0.4
137.05994	3.9
138.06360	1.4
145.10052	0.6
146.11801	0.5
147.04459	1.1
147.11688	0.6
149.02345	35.3
166.05032	1.5
167.05368	1.1
175.03925	1.9
177.05475	1.0
180.04189	0.5
180.06578	7.3
180.08075	0.8
181.06915	2.1
193.04964	43.4
197.97536	0.5
200.20093	50.1
206.04503	7.0
207.04826	2.8
208.05975	0.6
219.06572	1.1
222.07645	2.2
223.07997	1.0
225.05376	0.8
237.07574	11.4
244.22807	2.0
248.05533	2.6
249.05836	2.2
261.78369	0.5
262.07047	0.6
269.04459	1.1
270.07678	0.8
287.38559	0.4
297.03842	2.1
313.07077	2.6
341.06509	7.9
342.10092	0.6
343.10364	0.9
359.07614	6.3
364.16080	0.7
379.18881	0.8
384.10678	1.1
385.09109	20.1
403.10495	0.7
406.18573	0.5
407.18259	0.5
421.19577	5.2
422.19983	9.8
423.17761	2.9
424.18024	3.4
429.11832	27.1
477.23877	0.5
480.58847	0.5
500.21375	0.9
528.24127	0.8
538.77826	0.5
553.22791	0.7
560.23138	6.9
584.27997	1.3
602.29608	100.0
603.29773	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33462	7.4
55.05501	10.8
57.07072	10.0
62.25330	6.5
64.02335	6.8
67.05495	33.6
69.07072	20.1
69.27803	39.9
69.28209	20.8
76.02197	8.3
79.05489	15.6
81.07050	43.9
83.08621	16.8
91.05495	13.6
93.07029	22.2
94.17014	7.9
94.35037	6.8
95.08612	38.5
97.06538	9.7
97.10162	15.8
98.21521	15.2
105.07049	11.7
107.08612	13.9
109.10161	22.8
111.11674	6.9
119.08582	13.9
121.06567	7.9
121.10124	24.4
122.47444	6.5
123.11720	20.0
133.10152	13.1
135.11707	23.9
137.13324	8.5
140.10719	23.0
184.18033	7.3
190.93582	6.4
215.17970	15.2
217.19551	20.5
233.19048	14.3
235.20572	39.6
251.20032	100.0
253.21648	60.3
269.21225	12.1
271.22684	63.7
292.19150	19.7
340.29517	13.7
503.40790	18.1
521.42389	10.6
584.44928	13.8
602.36230	16.9
602.44391	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	603.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72562	0.4
70.72893	0.4
79.50088	0.2
84.71864	0.3
93.57755	0.2
96.38163	0.2
109.53088	0.3
136.13727	0.3
136.56451	0.3
163.91135	0.3
167.07219	0.3
185.04211	1.6
248.33881	0.2
281.50003	0.3
309.09732	0.3
425.12177	0.9
440.14548	1.9
441.15207	2.9
479.66220	0.4
588.18494	0.3
603.20526	100.0
604.20605	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
60.04529	6.5
64.95232	0.5
65.03941	0.6
68.75473	0.5
69.06731	1.0
69.07075	14.9
70.02954	0.6
70.06601	0.6
70.82230	1.0
70.82593	1.2
71.08630	1.1
73.46648	0.5
81.07081	0.6
85.02883	0.6
86.09694	0.9
88.03989	4.3
90.05555	12.0
91.05492	4.3
93.07040	1.5
96.04497	0.7
96.08065	0.5
97.06562	3.7
98.06073	4.2
103.05449	0.9
106.05041	6.1
114.05500	0.8
119.04965	1.8
120.04482	1.0
121.06508	6.3
133.10112	0.7
137.05988	7.1
140.10695	1.5
144.06601	0.8
145.02911	0.4
146.05934	0.7
148.03937	0.8
151.06264	0.9
152.07100	2.6
156.10266	0.8
163.76788	0.5
164.07072	1.4
166.05008	6.7
178.08588	1.0
180.06567	93.2
186.11217	1.0
187.32275	0.5
187.60519	0.5
194.08173	1.3
208.06117	1.5
220.06061	4.7
222.07626	26.3
262.07135	1.4
287.05530	0.7
293.94943	0.5
319.16681	1.5
324.32877	0.5
335.16022	1.2
336.73718	0.5
344.11322	0.6
349.17535	0.7
351.15515	1.5
361.17584	1.1
365.17111	20.1
366.17096	0.6
367.14969	1.3
377.17181	1.0
381.16580	15.7
393.16605	2.5
407.18146	100.0
408.18222	0.7
409.15985	1.0
423.17645	63.1
529.21863	16.3
561.24243	1.0
603.25787	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	603.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05509	0.6
56.05036	2.3
57.03423	0.9
65.03923	0.5
67.05482	0.3
69.03433	0.4
69.07083	2.7
69.35465	2.6
70.06577	1.1
72.04502	0.3
74.02442	3.2
74.06075	0.7
81.52811	0.3
84.04507	0.5
84.08151	1.4
84.18431	0.3
85.02910	0.6
86.09710	12.5
88.03993	1.1
90.05553	1.5
91.05486	3.8
93.07015	0.4
94.07900	0.3
95.04977	0.4
95.08601	0.7
96.93214	0.3
97.06503	0.5
102.05530	2.9
105.07052	0.3
105.49676	0.3
107.08601	0.3
109.10178	0.4
112.07624	0.5
112.10538	0.5
112.11254	8.0
113.05981	0.4
119.04959	1.7
119.05666	0.3
119.08556	0.3
120.04483	0.6
121.06499	1.2
130.08652	1.3
130.12285	0.9
137.05966	5.2
140.10721	0.8
144.04518	0.3
145.02820	0.4
147.11646	0.5
148.03918	0.7
151.06235	0.7
152.07060	1.3
153.81125	0.3
158.11794	6.2
159.56770	0.3
163.03914	0.4
164.07083	1.5
166.05005	3.9
177.05492	0.5
178.08603	0.4
180.06561	61.5
190.05060	0.3
194.08133	1.0
208.06030	1.1
220.06102	0.8
222.07617	15.7
252.08676	0.4
274.18774	0.4
287.05658	0.7
305.14975	0.4
319.16541	4.7
344.11172	0.6
351.15656	1.7
361.17599	2.8
365.17090	30.0
366.17703	0.3
381.16473	0.7
393.16415	2.4
407.18127	100.0
408.18207	0.7
423.17801	2.7
446.78464	0.3
487.20676	0.9
529.21820	9.9
561.24652	0.6
603.24951	1.8
603.38800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05500	0.7
65.03954	0.8
67.05506	0.9
69.03426	0.8
69.07076	3.6
69.20869	5.6
70.06582	0.6
71.01328	0.6
71.08657	0.5
74.02447	4.2
79.05482	1.0
81.03416	0.6
81.07052	1.3
84.08140	1.8
84.72158	0.6
84.95797	0.5
85.02896	1.3
86.09711	11.8
88.04004	2.0
90.05566	1.7
91.05488	7.8
93.07054	12.0
95.04936	2.7
95.08614	1.5
97.02911	0.8
98.06077	0.8
98.09676	1.1
98.97598	0.6
100.03988	1.5
100.34155	0.5
103.05471	8.4
103.92302	0.5
105.04531	1.7
105.07027	1.8
107.08601	1.2
109.10172	1.4
110.09664	0.5
112.07623	1.2
113.37805	0.6
117.03361	0.6
119.03557	0.5
119.04996	0.6
119.08611	0.9
120.04498	0.8
121.06514	78.0
130.08632	0.8
133.10095	0.8
137.05963	1.2
138.05481	0.7
145.10129	0.6
147.04443	0.7
147.11711	1.4
148.03944	1.1
149.02357	0.8
151.06276	0.7
152.07056	2.0
156.10176	2.6
157.10126	0.9
159.11734	0.7
163.03955	1.1
164.07103	1.0
165.09167	1.1
166.05011	16.0
174.11296	1.1
177.05489	1.8
180.06567	52.1
190.05121	0.6
192.06476	0.7
193.04915	0.8
194.05392	0.6
194.08130	1.2
200.20128	0.9
204.06589	0.6
206.04495	15.0
206.08304	0.9
208.06049	3.1
220.06062	39.2
222.07607	9.0
232.06042	1.1
234.07878	0.8
248.05615	3.6
262.07129	9.5
303.13458	1.0
305.15027	0.9
317.15039	1.8
320.79050	0.5
321.14487	3.4
335.16013	7.2
349.14252	2.7
349.17712	0.7
351.15668	0.8
363.15613	7.0
365.17297	2.7
367.15033	18.0
368.11624	0.9
377.17010	3.1
381.16565	33.8
405.31152	0.6
407.18143	15.0
409.16077	31.0
423.17645	100.0
424.17816	0.8
451.10944	0.7
451.17215	11.6
469.19644	1.3
483.20477	0.6
487.20764	4.2
529.21844	48.6
541.62769	0.6
561.24225	0.9
571.23041	1.1
603.29431	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	603.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
57.07085	0.4
65.97355	0.2
69.07065	0.8
71.12999	0.3
75.43307	0.3
79.05503	0.8
81.07068	1.8
83.08612	0.3
91.05482	0.6
93.07059	0.9
95.08594	1.6
98.21613	0.6
105.07059	0.4
107.08610	0.6
109.10155	0.8
119.08616	0.6
121.10192	1.2
131.08591	0.4
133.10133	0.4
135.11745	0.6
136.12039	0.4
145.10291	0.3
165.16605	0.3
166.56493	0.3
229.60092	0.3
279.23288	0.5
291.19397	1.2
335.21945	7.8
514.43109	0.4
532.44257	0.4
536.58002	0.3
550.45837	0.4
603.42389	100.0
604.42444	1.7
627.80988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	3.3
51.09655	2.5
53.03943	9.5
53.36663	2.3
55.01862	4.9
55.05515	27.5
57.07076	3.9
65.03925	5.1
67.04325	2.8
67.04733	4.0
67.05175	4.2
67.05507	66.2
69.03423	4.5
69.07065	21.7
69.19676	23.9
71.05004	20.7
75.13404	2.4
77.03938	3.2
79.05061	4.1
79.05498	74.7
81.07061	69.9
83.04982	19.1
83.08624	14.3
85.06533	3.9
87.04445	4.2
91.05485	100.0
93.07053	65.0
95.04959	10.7
95.08611	40.9
97.06547	25.2
97.10177	19.6
103.05436	2.6
105.04488	3.1
105.07036	69.1
107.04953	4.4
107.08599	51.5
109.06538	3.8
109.10173	20.0
111.08092	6.0
117.07022	22.9
119.04972	6.2
119.08591	44.0
121.06480	4.3
121.10139	30.8
123.08062	6.6
123.11678	7.1
125.09631	11.9
129.07001	9.5
131.08577	29.8
133.10143	35.9
135.08041	4.8
135.11685	11.5
137.09550	3.5
138.79915	2.9
139.11136	5.4
141.06984	3.2
143.08578	8.5
145.10130	24.0
147.04391	12.9
147.11708	16.2
148.04752	8.1
149.09644	8.5
149.13281	3.8
151.11238	4.2
155.08562	5.2
157.10094	11.2
159.11693	15.3
161.13260	7.8
163.11198	4.5
169.10117	6.3
171.11678	11.7
173.11797	3.6
173.13289	9.2
183.11765	3.6
185.13251	4.2
189.11205	7.9
197.13263	6.5
203.12782	9.7
203.18019	4.1
239.17992	9.3
249.18481	3.4
257.18991	14.0
273.18500	5.5
275.20068	90.1
277.21899	3.2
291.19638	5.0
293.21127	23.8
549.39380	5.4
567.40558	7.0
585.40869	5.8
603.42535	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43035	1.1
62.53521	1.2
67.82613	1.3
69.30899	1.2
70.06590	1.2
71.58873	1.8
79.05503	7.3
81.07043	3.1
85.02927	1.7
86.09740	1.4
91.05489	4.8
93.07071	2.1
97.02911	2.5
98.97645	1.2
103.05480	26.7
104.06281	2.0
105.07040	4.7
107.04956	11.1
107.08603	1.7
110.13783	1.3
114.96909	1.3
121.06503	6.3
121.10193	1.7
126.04494	1.2
131.04942	6.9
137.05963	3.3
164.07150	2.4
166.05153	1.3
170.43974	1.3
180.06595	5.3
194.08150	3.6
206.09729	5.5
234.09171	2.9
253.87704	1.2
254.10271	9.0
266.11798	47.1
293.10339	4.2
298.14423	7.9
308.12439	7.3
348.12186	2.8
380.14728	100.0
398.15793	9.6
402.15540	17.4
424.13620	20.7
446.19278	2.2
468.17789	5.2
521.43286	1.4
528.19885	1.6
530.48590	1.5
560.22498	6.9
604.21570	55.5
604.29395	2.0
634.63550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59656	0.4
62.74063	0.4
69.56490	1.4
69.56902	0.9
70.82256	0.3
71.50111	0.3
88.76340	0.4
90.40623	0.3
91.05428	0.6
91.19637	0.4
91.37276	0.3
93.07004	1.1
108.56281	0.4
118.06505	0.5
121.06514	7.8
121.67791	0.4
143.04695	2.2
146.05975	1.4
188.07025	1.3
200.96771	0.5
291.04770	3.9
305.06177	0.7
323.07397	4.4
369.09528	0.6
411.10513	7.2
418.14944	1.0
427.13644	1.1
443.13171	48.5
444.13629	0.6
485.12955	0.5
490.16986	0.5
605.18445	100.0
606.19012	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
57.67381	0.4
70.09978	0.5
70.10258	2.1
70.31113	0.4
76.55203	0.4
77.03934	0.4
85.02891	0.6
86.61510	0.5
91.05495	8.0
93.07050	5.3
95.04959	1.1
97.02897	1.0
103.05485	3.5
115.05467	4.3
117.05769	1.3
117.07032	3.4
118.06552	52.3
119.04908	0.4
121.02856	0.6
121.06519	30.0
126.01820	0.5
131.04858	0.5
132.08112	0.8
134.05994	1.1
135.86073	0.5
137.05959	0.8
142.06534	5.3
143.07300	5.6
144.04427	1.9
144.08093	25.0
145.02809	0.6
146.06020	100.0
147.06342	0.5
155.06007	0.7
160.03935	1.6
160.07576	0.8
162.05533	3.4
166.08760	0.5
170.06027	8.1
176.07050	1.3
178.05025	2.2
180.06624	1.2
188.07080	78.0
189.07341	0.6
192.06566	6.0
194.08141	18.5
204.06314	0.6
206.04460	1.2
220.06061	5.3
234.07686	0.8
236.09186	2.7
238.07112	4.7
252.08730	0.7
254.10263	2.7
280.08185	14.6
287.05576	0.5
298.09247	2.2
338.08743	1.0
395.64230	0.5
418.14993	66.5
419.15289	0.9
434.75693	0.4
467.14487	2.5
476.15695	2.8
549.82996	0.5
605.21326	34.2
606.21509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42585	0.4
55.05514	3.0
57.07063	1.2
60.04530	15.5
65.03914	0.5
69.07062	0.6
69.68844	2.1
70.02950	0.5
70.06590	0.7
72.08164	0.5
79.05476	0.5
83.04984	2.3
84.04522	0.4
85.02883	0.9
86.02431	2.6
88.03996	3.2
91.05488	4.3
91.24996	0.5
92.05026	0.4
93.07019	0.6
95.04960	0.4
97.02907	2.6
103.05465	0.5
104.03489	0.5
105.07090	0.7
105.19048	0.4
106.05038	9.8
107.08587	0.7
108.46314	0.5
117.03358	0.7
119.04967	2.3
120.04388	0.5
121.06484	1.1
124.07588	0.9
125.05946	0.5
129.06998	0.5
131.08572	0.6
132.02924	1.4
136.07567	0.8
137.05994	6.3
145.02850	1.3
146.06015	0.6
147.04436	0.7
148.03926	1.4
148.47052	0.5
151.06319	1.1
152.07062	1.9
162.05447	0.4
163.03952	0.5
164.07039	1.1
166.05038	4.7
167.03444	1.0
170.08148	0.5
175.03928	1.2
176.04243	0.5
177.05446	2.8
177.92357	0.4
178.08502	0.5
180.06563	70.9
180.73178	0.4
190.04909	0.6
194.08084	0.9
207.06505	1.9
208.06107	1.7
220.06078	0.7
222.07620	21.9
262.07175	0.7
287.05179	0.5
321.09967	0.5
321.14368	0.5
344.11481	0.5
353.13525	1.0
363.15509	0.8
367.15042	13.9
395.14401	1.9
409.16080	100.0
410.16522	0.5
531.19861	9.4
563.50665	0.5
605.24298	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.1
67.77596	0.5
69.07064	0.9
77.15126	0.4
79.05505	0.8
81.07053	1.1
91.05463	0.9
93.07044	1.2
95.08625	0.7
105.07087	0.5
107.08620	0.6
109.10181	0.9
169.74579	0.6
209.68279	0.5
291.19455	1.6
335.22153	0.9
337.23505	8.6
379.28333	3.3
605.43884	100.0
606.44604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28922	2.2
53.03942	8.8
54.78308	2.5
55.01866	5.6
55.05262	3.0
55.05514	37.4
63.89722	2.3
65.03931	5.3
67.05513	94.3
67.05871	5.1
69.03422	4.0
69.06722	3.4
69.07074	32.1
71.04995	13.6
71.57284	3.4
79.05497	100.0
81.03403	3.9
81.07063	97.1
83.04973	16.0
83.08620	17.4
85.06560	11.9
91.05484	97.4
93.07049	88.0
95.04955	11.5
95.08615	62.7
95.09224	3.7
97.06541	21.0
97.10186	21.6
99.08076	8.0
105.04488	3.2
105.07038	68.9
107.08601	61.9
109.06514	9.2
109.10155	30.7
111.08110	6.2
117.07028	23.9
119.08588	51.7
121.06498	4.6
121.10153	53.0
123.08048	5.5
123.11661	5.1
125.09641	14.7
129.06992	11.2
131.08585	43.3
133.10138	48.9
135.08047	5.3
135.11702	29.1
137.09595	6.3
139.11203	6.1
143.08563	8.7
145.10120	33.3
147.04395	3.4
147.08116	3.0
147.11717	24.9
149.09573	6.5
149.13280	11.8
151.11031	2.6
157.10147	14.2
159.11723	15.4
161.09705	3.8
161.13275	13.4
163.11156	5.7
163.14819	3.5
165.12631	3.2
167.10696	2.9
169.10135	6.0
171.11690	11.8
173.11887	2.5
173.13268	9.0
175.14790	6.0
177.12790	5.9
181.12320	2.9
183.11700	5.4
185.13261	4.8
189.11221	9.0
189.16403	4.3
195.07472	2.4
195.13675	3.0
197.13210	5.5
201.16321	3.7
203.12836	6.8
203.17969	3.0
211.15015	2.4
213.16606	3.9
215.18124	2.7
221.15395	4.5
224.14886	2.7
233.15529	2.7
239.17940	8.2
241.19559	5.5
247.17029	3.0
257.19116	15.8
259.20572	11.1
263.19904	2.8
275.20071	82.8
277.21634	32.8
291.19473	5.0
293.21304	15.3
295.22763	12.6
300.74698	2.5
379.28101	9.9
460.32382	5.2
479.48071	2.4
482.32144	5.8
533.39746	3.0
551.41107	5.3
569.41931	9.2
587.42786	7.5
605.28363	3.4
605.43634	58.9
616.45068	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01871	3.6
55.05521	19.1
57.07067	3.1
58.87086	1.4
65.03959	3.4
67.05509	46.3
69.07073	14.1
69.11020	1.5
69.35779	8.5
69.36192	5.0
71.04997	9.5
73.56879	1.7
75.98717	1.5
79.05502	38.5
81.07063	43.6
83.05001	5.3
83.08605	9.1
85.06565	5.0
91.05486	32.1
93.07054	36.8
95.04964	8.9
95.08619	27.7
97.06535	8.9
97.10191	10.8
99.08083	2.2
104.10745	3.9
105.07043	27.6
107.04981	2.3
107.08601	24.2
109.06551	4.9
109.10163	18.4
111.08135	2.7
117.07022	11.2
119.08594	15.7
121.10162	27.3
123.08112	4.4
123.11749	5.5
125.09648	8.6
128.31471	1.7
129.07066	3.8
130.07809	1.8
131.08578	20.7
133.10133	15.5
133.78488	1.5
135.08080	2.4
135.11696	19.2
139.11226	4.4
143.08611	5.9
145.10120	13.0
147.11693	10.2
149.09627	3.6
149.13312	5.7
153.09195	2.3
155.08664	2.6
157.10152	4.0
159.11710	10.7
161.13295	3.9
163.11252	2.8
169.10205	2.6
171.11755	5.9
173.11935	2.8
173.13354	5.7
181.12340	1.9
183.11694	3.4
189.11249	2.9
192.65688	1.7
196.80994	1.6
197.13359	3.0
203.03726	2.0
203.12820	2.9
223.60487	1.5
239.18071	4.5
241.19630	2.6
257.18979	9.4
258.97098	1.8
259.20715	5.5
273.18994	2.0
275.20102	22.3
277.21616	20.7
291.19260	1.8
293.21179	6.2
295.22794	6.0
337.23627	3.8
379.28146	7.5
497.94858	1.7
533.40143	3.9
551.41248	5.8
569.42120	10.9
587.43439	7.0
605.43890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01648	0.9
53.03943	3.0
55.01868	2.4
55.05511	7.1
57.03440	17.9
57.07064	1.5
59.60373	0.9
61.02933	5.5
65.03934	1.1
67.05507	37.9
68.01985	0.8
69.03072	1.5
69.03431	21.2
69.07070	8.5
69.24138	5.4
69.24562	3.4
71.01344	2.5
71.04996	23.1
73.02512	1.0
73.02921	32.0
79.05496	37.6
81.03419	4.2
81.06577	1.8
81.07060	36.1
83.04970	3.8
83.08630	4.9
85.02911	28.9
85.06541	2.0
86.09721	7.8
87.04461	1.9
91.03966	1.2
91.05485	17.1
93.07050	50.5
95.04974	4.3
95.08049	1.8
95.08614	28.0
97.02280	1.7
97.02893	26.7
97.06520	7.9
97.10171	2.1
97.22938	0.9
98.21125	4.9
99.04478	1.4
103.05434	1.2
104.31253	1.1
105.04530	0.9
105.07043	9.7
107.08599	30.7
109.02872	3.0
109.06498	1.5
109.10141	9.1
111.08065	2.1
115.03935	15.0
116.01672	1.6
117.07018	4.7
119.08585	13.2
120.08110	1.3
121.06523	9.9
121.10149	58.9
122.06853	1.1
123.08099	1.4
123.11700	4.0
127.03977	6.1
129.06966	2.2
131.08582	6.8
132.06589	1.4
133.04970	3.1
133.10158	7.9
135.08134	1.1
135.11700	50.1
137.09628	1.3
143.08595	1.5
145.04968	6.7
145.10118	6.5
146.05943	1.0
147.11693	4.7
149.09541	1.2
149.13275	13.9
150.07549	1.5
151.11166	2.9
157.10127	2.0
159.11720	5.4
161.13240	3.3
163.03941	1.8
163.06026	1.2
163.11182	2.9
163.14813	2.8
164.07092	2.5
165.12746	1.1
167.14404	0.9
171.11653	1.2
173.13326	1.7
175.14899	1.9
177.12769	2.4
181.12196	5.8
184.07338	4.9
185.13281	2.6
195.13837	7.7
199.14836	1.7
207.13721	1.2
213.16510	1.1
221.15385	2.1
223.05968	1.1
226.84695	1.1
231.17445	1.7
235.16911	1.4
241.07092	1.9
241.19431	4.5
259.08203	2.4
259.20575	5.8
263.11340	1.0
265.21634	1.7
277.21640	100.0
278.21475	1.4
293.68085	1.0
295.10260	1.0
295.22668	22.0
299.56247	0.9
348.06818	1.2
426.21445	1.2
467.48764	1.1
606.19409	5.2
606.30682	3.0
619.15723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.163
Annotation	6''-(3-Methyl-2-butenyl)amentoflavone
Peak:m/z	Relative Intensity
69.03410	0.6
70.97973	1.4
91.05464	3.2
97.02873	0.7
103.05440	0.8
119.04937	1.6
131.04929	1.1
137.05986	6.6
138.06285	0.7
159.04192	1.3
163.03925	0.9
167.07146	0.5
194.08034	1.0
218.04419	0.6
231.02669	0.5
234.07556	2.0
260.05615	0.6
265.06857	1.5
276.05740	0.5
278.06567	0.8
291.04803	2.8
309.05853	0.9
320.07526	2.0
383.11105	0.7
385.08917	1.1
401.12106	26.7
409.11978	0.5
427.09985	5.8
445.11090	50.0
450.41846	0.5
474.13727	0.8
563.17328	0.7
607.16168	100.0
608.16595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01865	2.7
57.03428	4.1
57.13655	1.1
61.02904	1.6
65.03935	1.8
69.03438	9.4
69.35378	10.3
70.06599	1.6
71.04957	1.4
73.02906	1.0
78.04699	1.7
79.05492	4.3
81.03412	3.8
81.94080	1.2
85.02907	19.7
87.04468	1.8
89.03895	1.5
91.05496	6.9
93.07049	1.5
95.04961	3.0
96.84006	1.3
97.02908	7.6
98.07966	1.3
98.21502	2.1
99.04464	2.9
102.04703	1.2
103.05457	5.2
105.07054	8.2
106.04189	2.3
107.04954	10.3
109.02872	1.9
109.06500	1.3
114.10292	1.5
115.05445	6.2
117.07005	2.6
118.04117	1.9
119.04935	3.7
119.08575	3.0
121.06478	3.5
123.04424	9.0
124.05179	3.5
127.03944	5.7
128.06232	3.5
129.07008	10.6
130.04170	1.6
131.04941	6.1
131.08607	1.6
132.05736	4.7
133.06511	9.4
135.04369	3.2
137.05978	7.6
140.04654	4.1
141.07001	2.9
143.04919	1.4
144.05754	2.6
145.02837	4.0
145.04898	1.2
145.06531	3.0
147.04443	2.5
147.08038	5.6
151.03917	2.4
152.04683	2.8
153.05443	2.9
155.07079	5.9
156.05692	1.8
159.08078	8.7
160.05142	3.2
161.05948	15.7
163.03923	18.3
163.07573	1.9
165.05484	7.2
167.07050	100.0
168.05623	1.7
169.06511	2.6
171.08141	2.2
172.05222	2.4
173.05963	2.9
174.06674	1.9
175.04045	1.2
175.06010	2.6
175.07553	43.5
176.04710	2.0
177.05493	4.1
178.06230	2.0
178.07693	2.0
179.07101	2.5
179.08563	1.4
184.05278	1.1
185.05975	2.0
187.07568	24.4
189.09099	3.8
190.07761	2.2
191.07056	14.6
191.08572	2.9
191.40431	1.2
193.08603	11.5
193.10132	2.2
199.07552	17.7
201.05316	1.1
201.09090	2.8
202.07747	1.8
203.06934	1.4
203.08578	5.2
205.06488	2.4
206.07280	2.4
209.08090	3.2
215.08673	2.3
217.08575	2.6
218.07286	4.2
219.08081	4.8
220.08862	1.4
221.09639	4.8
223.07634	1.4
231.08032	2.8
232.08815	2.4
233.09642	4.5
234.06779	3.3
235.07578	3.3
236.08273	1.3
237.09100	1.7
238.06947	1.4
241.10706	5.5
243.08003	1.5
245.05963	1.9
246.06865	3.1
247.07529	3.7
248.08362	2.9
249.09178	9.9
250.09962	1.7
251.07050	3.5
259.07526	3.5
260.08331	3.9
261.09186	7.3
263.06915	2.8
264.07892	1.8
265.08621	2.0
266.09549	1.4
267.12314	4.7
276.07767	2.6
277.08582	9.5
278.09421	4.3
279.06485	3.5
279.09949	1.8
281.11780	9.5
283.09518	2.1
288.07687	1.5
289.08514	6.0
290.09399	2.4
291.06433	2.7
291.10056	3.1
293.08194	2.0
293.11719	4.1
294.09042	2.3
295.09686	3.1
305.08029	4.0
306.08951	6.7
307.09686	4.7
308.10327	1.4
309.11234	12.5
311.09122	1.8
319.09689	2.0
320.10413	2.6
320.14047	1.4
321.11249	20.5
322.11844	1.9
323.09183	3.2
325.10712	2.7
325.14355	1.7
326.11499	20.6
337.10718	5.3
338.11554	9.1
339.12344	6.3
340.13104	21.4
341.13852	64.0
352.13052	19.0
353.13831	22.3
355.15396	4.0
383.14505	2.0
384.49673	1.3
395.15024	2.7
415.17389	10.7
427.17502	7.6
607.17749	2.1
607.24231	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97856	0.2
55.03001	1.3
55.05502	0.5
68.05023	0.2
69.21153	1.7
69.21570	0.4
70.06597	9.6
71.04998	0.4
72.05636	0.5
72.08158	20.6
81.07052	0.2
84.56583	0.2
85.02909	0.7
85.23096	0.2
91.05476	1.0
97.02888	0.2
97.07659	11.0
107.04961	0.5
111.06171	0.2
112.08742	2.4
114.10297	100.0
115.10634	0.3
119.04948	0.5
128.12230	0.2
129.57892	0.2
137.05998	1.2
139.11118	0.2
147.04417	0.4
156.11345	0.2
158.09264	0.3
161.66606	0.2
177.05525	0.5
180.06599	0.4
188.07071	0.2
216.10258	0.5
220.06081	0.7
262.07169	0.2
313.59009	0.2
335.17160	2.1
355.11465	0.3
367.19809	3.8
367.24139	0.4
411.13898	1.2
411.18585	0.2
435.19431	0.2
478.38620	0.2
504.14243	0.2
607.23846	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2909
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
58.83281	0.3
60.32194	0.3
70.62582	0.4
70.62887	0.5
72.55021	0.3
80.42504	0.3
98.21255	0.4
101.45090	0.3
165.38120	0.3
231.90471	0.3
388.16949	0.6
389.17606	0.8
390.18277	0.3
401.17685	0.6
402.18390	0.9
403.19299	3.2
404.20093	0.9
405.20932	1.4
416.20010	0.9
417.16226	0.6
417.21307	2.9
418.21683	1.2
419.22375	3.3
420.22610	0.3
429.20959	0.6
430.17789	1.0
431.18231	6.7
431.23489	0.6
432.18408	1.4
433.19214	0.5
433.24155	7.0
434.24591	1.4
444.19409	0.6
445.19745	7.9
446.20691	4.2
447.21686	4.4
459.21454	4.0
460.22415	11.3
461.23328	10.1
462.24460	0.4
473.23492	2.9
474.24222	0.8
477.22852	0.6
487.24789	1.4
488.25458	0.7
489.22897	0.3
491.20572	0.5
492.25089	0.6
493.25385	0.3
501.23245	0.3
505.21689	2.7
515.24524	0.4
518.23132	0.8
519.27148	1.8
519.47681	0.3
532.24762	1.0
547.27094	30.2
548.27661	1.6
575.26318	0.8
579.29779	0.6
607.29144	100.0
608.29437	1.2
616.46985	0.3
623.51453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
57.07075	0.8
67.05501	1.6
69.07063	0.9
70.92274	0.4
71.08657	0.4
71.56864	0.3
71.57290	0.5
72.18774	0.3
79.05496	1.3
81.07066	1.4
91.05477	1.5
93.07040	1.3
95.08597	2.0
105.07040	0.8
107.08605	1.4
109.06567	0.4
109.10194	0.6
117.07029	0.5
119.08585	0.4
121.10219	0.4
123.11675	0.6
131.08560	0.8
147.11775	0.5
149.01236	0.4
156.97554	0.6
169.10165	0.7
174.98589	0.5
213.00204	1.2
261.22244	0.5
293.20892	0.7
313.27350	1.0
337.23492	10.3
372.24158	0.7
507.26010	0.5
532.38934	0.5
607.45428	100.0
608.45825	1.7
609.96161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03944	5.3
55.01869	6.2
55.05264	2.9
55.05517	32.0
57.03439	3.7
57.07075	2.9
65.03931	3.4
67.05509	100.0
67.96079	1.4
69.03419	2.3
69.07073	32.4
69.22835	2.0
69.23239	12.6
70.85206	1.4
71.05005	10.8
79.05499	71.8
81.03397	3.1
81.07062	91.4
83.04999	7.8
83.08627	19.0
85.06552	15.4
91.04899	1.9
91.05487	56.0
93.07048	81.3
95.04996	7.6
95.08612	68.8
97.06543	13.0
97.10185	16.7
98.20780	3.5
99.08095	10.0
103.05454	1.6
105.04514	3.6
105.07037	40.1
107.04981	2.6
107.08607	53.3
109.06521	5.5
109.09453	2.5
109.10166	34.3
111.08092	6.6
115.05487	1.8
115.07599	2.3
117.07024	12.0
119.08591	31.2
121.10152	65.8
123.08049	3.5
123.11705	12.2
125.09650	14.1
129.06999	7.9
131.08591	22.2
133.10147	30.2
135.08064	3.4
135.11705	52.4
137.09633	3.8
137.13286	2.4
139.11188	6.4
142.07880	1.6
143.08574	8.0
145.10152	19.0
147.11697	25.4
147.14664	1.5
149.09651	4.3
149.13272	17.6
151.11189	4.5
155.08574	2.5
155.10796	1.6
157.10126	5.5
159.11703	15.3
161.13281	14.3
163.11180	6.5
163.14806	4.7
165.12683	3.6
169.10132	1.9
169.12308	2.2
171.11668	11.1
173.11757	3.7
173.13254	8.3
175.11273	2.1
175.14856	8.9
177.12744	4.9
177.16315	1.7
181.12314	2.7
183.11722	4.0
183.13509	1.3
185.11780	2.9
185.13278	8.6
189.11223	6.4
189.12767	2.1
193.15886	1.6
195.13734	3.9
197.07729	1.5
197.13284	3.0
199.14845	3.2
203.12802	4.0
203.44032	1.8
209.15428	1.8
213.16437	2.9
219.17426	3.0
221.15240	2.6
239.18161	1.7
241.19525	14.5
257.18982	2.7
259.20599	35.2
275.20029	7.5
277.21640	81.4
279.23395	2.1
293.20969	3.5
295.22693	32.4
313.23834	3.8
315.23312	2.1
349.69324	1.8
352.15945	1.6
443.31229	2.6
517.40289	3.5
520.71545	1.8
523.93896	1.5
535.41083	7.3
547.23346	2.5
553.42603	22.4
571.43573	11.0
589.44427	10.9
607.25873	3.9
607.44275	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01866	7.1
55.05266	2.1
55.05514	33.9
55.91630	1.8
57.03431	5.0
57.07075	4.3
61.57610	1.7
65.03933	5.8
67.05505	100.0
69.03422	4.2
69.07071	34.2
71.04991	12.5
79.05495	66.3
81.03419	2.7
81.07059	98.8
83.04978	8.3
83.08626	18.1
85.06551	14.2
91.05482	50.4
91.06015	3.6
91.92509	1.6
92.06296	1.9
93.07047	91.4
95.04992	8.5
95.08609	64.6
97.06541	12.1
97.10173	20.4
98.20704	4.2
99.08102	9.3
105.04511	3.1
105.07032	40.2
107.08595	58.7
107.52541	1.5
109.06503	5.4
109.07928	1.6
109.09452	3.1
109.10159	38.5
111.08057	5.7
115.05449	1.9
117.07012	14.7
119.08587	29.8
121.10149	71.1
123.05552	3.5
123.08080	5.2
123.11705	8.1
125.09622	13.9
128.06253	2.4
129.06987	7.3
131.08575	26.9
133.10146	30.1
133.14328	1.6
135.08017	4.0
135.11690	58.1
137.09631	4.5
137.13284	2.6
139.11177	7.4
141.06984	2.2
143.08569	11.5
145.10117	22.6
147.11682	21.7
149.09601	5.4
149.13263	18.1
151.11159	2.4
157.10147	7.6
159.11717	12.8
161.13309	11.1
163.11137	4.3
163.14818	4.5
169.10107	2.0
171.10338	2.8
171.11626	11.4
173.11876	3.2
173.13303	9.8
175.14822	5.5
177.12767	5.3
179.14423	2.5
181.12247	4.1
183.11758	3.9
185.11745	2.4
185.13280	6.6
187.14810	3.2
189.11205	6.1
189.12724	2.7
191.14444	2.0
195.11771	2.3
195.13861	3.1
197.13271	2.5
199.14816	4.2
203.12753	3.7
219.17433	4.2
241.19527	9.9
257.18991	3.1
259.20557	31.4
275.20026	7.4
277.21634	82.6
279.23163	2.2
293.21152	2.2
295.22687	32.4
313.23798	4.4
431.31345	2.0
443.31201	3.0
456.36093	1.8
487.37628	2.0
525.83612	2.0
535.41418	7.7
547.23596	2.1
553.42670	17.0
571.43494	13.7
589.44220	9.8
607.25909	3.5
607.44196	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1607
Annotation	Vitexin 2''-O-(E)-ferulate
Peak:m/z	Relative Intensity
57.56657	0.1
63.02394	0.1
67.01877	0.5
67.05505	0.1
68.99812	0.3
69.03422	0.2
69.35040	0.7
70.06599	0.1
74.02241	0.1
79.44901	0.1
81.03421	0.6
81.07020	0.1
83.08626	0.1
84.39128	0.1
85.02898	0.2
89.03919	1.1
91.05471	0.7
93.07041	0.2
97.02885	0.2
98.20747	0.2
98.97530	0.1
100.01157	0.1
103.05460	0.6
105.03384	0.1
105.07011	0.1
109.02860	0.2
111.00850	0.1
117.03380	3.5
119.04949	2.2
121.02864	0.9
121.06500	0.3
127.03899	0.1
129.01822	0.2
131.04016	0.1
131.04939	1.2
134.03635	0.3
135.04463	0.1
137.05989	0.3
145.02850	9.6
147.04414	1.0
149.05974	1.2
151.03874	0.1
153.01831	5.4
162.03065	0.1
163.03918	0.7
163.07578	0.5
165.05501	0.1
167.06935	0.1
171.02872	0.7
175.07555	0.1
177.05475	26.9
178.05824	0.2
180.06516	0.2
186.05511	0.3
187.03949	0.2
195.06519	0.3
203.07057	0.3
225.05475	0.3
229.05016	0.4
243.06500	0.3
247.06035	0.2
258.05334	0.1
271.06012	100.0
272.06305	0.8
286.04706	0.4
301.07062	1.3
321.09671	2.0
339.10837	1.2
429.06198	0.2
532.95624	0.1
609.17371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1818
Annotation	Diosmin 
Peak:m/z	Relative Intensity
52.99905	0.1
56.08117	0.1
57.06450	0.1
58.34152	0.1
63.15743	0.1
70.06586	0.1
71.04999	0.6
71.38115	0.2
78.76057	0.1
85.02506	0.1
85.02912	1.2
97.02843	0.1
108.60863	0.1
114.10268	0.1
129.05450	0.4
137.06004	0.1
151.03941	0.1
153.01819	0.4
177.05443	0.3
180.56775	0.1
229.05026	0.3
257.04413	0.2
258.05258	12.2
286.04730	32.4
287.05176	0.3
301.07074	100.0
302.07404	0.7
463.11905	0.6
609.22485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2712
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03942	0.5
55.05517	1.4
55.73000	0.2
65.74105	0.3
67.05507	4.0
69.07072	1.7
71.05029	0.2
79.05503	2.8
81.07059	3.4
83.04967	0.4
83.08607	0.7
91.05492	2.6
93.07050	2.9
95.04980	0.3
95.08613	2.3
96.95306	0.2
97.06516	0.5
97.10188	0.4
105.07030	2.7
107.08601	2.0
109.06528	0.3
109.10165	1.1
112.67554	0.3
117.07005	1.3
119.08586	1.9
121.10156	1.4
121.10897	0.3
128.52206	0.3
129.07008	0.5
129.89384	0.2
131.08574	1.5
133.10135	1.0
135.11700	0.7
143.08563	0.9
145.08987	0.3
145.10104	1.3
147.11702	0.8
149.13306	0.3
155.08571	0.5
157.10158	1.0
159.11734	1.3
161.13245	0.5
163.15039	0.3
169.10141	0.7
171.11732	0.6
173.13318	0.7
183.11687	0.7
185.13297	1.0
187.14946	0.3
195.11745	0.5
197.13251	0.6
199.14862	0.4
211.12314	0.4
211.14990	0.3
223.12419	0.6
223.14790	0.3
229.19489	0.3
237.13936	0.5
239.15691	0.3
257.19092	0.5
261.13913	0.4
275.20047	1.7
300.15204	0.3
333.20505	2.1
335.26041	0.6
364.17514	0.3
366.33517	0.3
375.17004	0.4
376.17203	0.3
377.17715	1.0
387.16901	0.3
388.17828	0.4
389.18533	0.9
390.18735	1.1
391.19302	2.1
392.20010	1.5
393.21063	0.6
399.16205	0.4
400.16818	0.6
401.17786	0.8
402.18536	0.3
403.19534	1.1
404.20663	1.3
405.21100	3.6
406.21637	2.4
407.22278	3.5
414.18488	0.8
415.19385	2.2
416.20090	0.6
417.20947	0.9
418.17657	0.5
419.17560	1.2
419.23434	1.3
420.23236	0.7
421.24011	4.4
422.24704	0.5
424.18790	0.4
427.19269	0.8
428.20142	0.5
429.20944	3.4
430.22144	1.7
431.18430	0.9
432.19424	0.9
433.20181	2.4
441.21500	0.3
442.21603	0.9
443.22443	1.0
444.23434	1.8
445.20499	2.0
446.21750	0.4
447.18234	2.0
448.18472	0.4
449.23508	1.2
451.21426	0.4
452.21811	0.7
456.19553	0.5
457.24860	2.2
458.20316	0.4
458.25711	0.5
459.22021	3.2
460.23608	1.9
461.19067	5.5
462.20346	2.1
463.21008	1.2
465.23029	0.3
470.21103	0.6
471.18027	0.5
472.22943	1.9
473.19788	0.9
474.20190	1.2
475.21106	8.3
476.21863	6.6
477.22464	3.8
478.23672	1.1
479.24414	0.4
484.18723	0.4
485.23691	9.5
486.20325	3.3
487.20242	0.5
487.25156	1.0
488.22171	1.0
489.22977	5.3
493.22421	0.9
494.26901	0.8
497.23700	0.4
499.21649	2.0
500.22229	1.7
502.23972	0.5
503.24634	6.0
504.20593	0.5
504.24942	0.8
507.23932	0.7
513.23047	1.4
514.23828	0.4
515.24402	8.3
516.22052	0.3
517.22455	1.2
518.23108	0.6
521.26270	3.1
531.23907	15.2
532.24994	0.4
533.25665	0.6
535.23517	0.9
541.22430	1.1
548.24200	0.6
549.24829	1.8
550.25757	4.8
559.23517	7.7
577.24548	1.4
591.26062	28.2
609.27106	100.0
609.44940	9.1
610.27350	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
57.03451	0.3
57.71748	0.2
67.05511	1.8
69.07067	0.6
69.97692	1.1
70.94032	0.3
71.04996	0.3
79.05489	0.9
79.21561	0.3
81.07063	1.8
83.08594	0.3
91.05464	1.2
93.07035	1.3
95.08606	1.1
105.07037	0.9
107.08602	0.9
109.10183	0.6
117.07017	0.3
119.08596	0.7
121.10169	0.6
129.07008	0.5
131.08583	0.7
133.10129	0.5
135.11703	0.4
137.15677	0.2
143.08551	0.6
145.10176	0.9
147.11711	0.4
155.08601	0.3
157.10135	0.7
159.11726	0.5
169.10172	0.3
171.11736	0.4
173.13277	0.3
183.11751	0.4
185.13330	0.3
195.11693	0.4
197.13268	0.5
200.25494	0.2
223.12372	0.3
223.14824	0.3
225.13893	0.4
235.12292	0.3
236.00426	0.3
237.13947	0.6
237.16208	0.3
238.14539	0.3
251.15598	0.4
257.19080	0.5
275.20239	0.4
363.15793	0.3
364.18329	0.3
375.16861	0.3
376.17505	0.5
377.17761	0.7
389.18326	0.9
390.18576	1.1
391.19135	1.6
392.20059	1.4
393.20865	0.5
399.15903	0.3
400.16751	0.3
401.17770	0.6
403.19553	0.7
404.20465	0.8
405.20901	3.1
406.21677	1.6
407.22263	2.7
413.17877	0.4
414.18750	0.6
415.19345	1.7
416.19894	0.3
417.20969	0.6
419.18491	0.8
419.22598	1.1
420.23294	0.8
421.24008	4.0
422.24344	0.6
427.19376	0.6
428.19775	0.4
429.20963	1.7
430.21884	0.7
431.18652	0.9
431.23260	0.5
432.19714	0.4
433.20209	1.8
433.24799	0.6
434.20523	0.5
435.21637	0.5
441.21234	0.5
443.22733	0.7
444.23230	1.0
445.20578	1.3
446.21478	0.7
447.17300	1.9
448.18954	0.7
449.23499	1.1
451.21445	0.3
452.21982	0.3
456.19165	0.2
457.24472	1.4
458.25027	0.3
459.21994	1.7
460.23569	1.5
461.19220	5.2
462.20340	2.0
463.20605	1.3
472.22903	0.6
473.19794	1.0
474.20746	1.1
475.21036	7.6
476.21936	6.2
477.22543	4.2
478.23727	0.9
479.24655	0.5
483.17822	0.3
484.19199	0.3
485.23605	6.4
486.20288	2.7
487.21304	1.0
487.25885	0.5
488.22113	1.1
489.23056	4.7
493.22479	0.9
494.26877	0.9
497.23358	0.8
499.21393	3.9
500.22403	1.3
502.23883	0.6
503.24628	7.0
504.20425	1.2
505.22574	0.8
507.23923	0.9
513.22858	0.7
515.24457	5.9
517.22406	2.4
517.40771	0.3
518.23486	0.4
521.26117	2.9
526.25824	0.3
531.23962	10.4
532.24200	0.4
535.23547	0.9
541.22119	0.5
544.21393	0.3
548.24579	0.4
549.24860	2.0
550.25861	4.7
559.23438	5.3
563.26837	1.3
577.24438	1.8
591.26056	10.7
591.44336	0.4
609.27094	100.0
609.44672	4.3
610.27502	1.7
613.05499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00751	0.2
55.01865	0.7
55.05512	0.5
67.05504	0.3
69.06714	0.3
69.07067	3.2
70.58423	0.7
73.02926	1.8
73.06565	1.9
79.05499	0.4
81.03420	0.3
85.02901	0.3
91.05489	2.8
93.07050	0.4
94.80570	0.2
95.08591	0.6
97.06531	0.5
105.07026	0.4
107.07330	0.4
108.08112	0.4
109.06555	0.4
119.04959	1.5
119.08595	0.3
120.04459	0.4
121.06496	0.8
136.07628	0.3
137.05975	5.0
146.19003	0.3
148.03925	1.0
151.06270	0.6
151.07460	0.2
152.07033	1.6
164.07091	0.5
166.05042	3.0
167.07014	0.2
178.08601	0.2
180.06564	30.1
190.05017	0.5
190.61807	0.2
194.08122	1.8
206.08089	0.3
215.41216	0.2
222.07642	0.6
246.54977	0.3
254.10281	0.6
255.64359	0.2
280.11801	6.0
294.13364	54.6
295.13647	0.4
301.07184	0.4
308.15002	1.3
322.12875	3.7
336.14420	100.0
337.14810	0.9
354.15567	0.2
368.17020	5.9
396.16846	0.3
416.17017	1.2
442.09888	0.3
458.18118	13.0
463.61740	0.2
490.20941	1.4
497.12933	0.2
532.21814	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.7
56.97012	1.1
57.03436	2.7
57.07077	2.1
67.05170	1.9
67.05507	24.5
69.07066	12.3
70.91124	2.8
71.05000	1.3
79.05502	14.7
81.07061	21.2
83.04987	1.6
83.08617	5.0
84.31994	1.1
91.05481	13.4
93.07043	17.4
95.08611	18.5
97.06539	2.2
97.10194	2.8
105.07034	14.2
107.08601	12.0
109.10170	9.0
117.06995	9.0
119.08578	11.2
121.10129	5.8
123.11728	1.5
128.06233	1.7
129.07027	9.2
131.08580	14.3
133.10107	7.8
135.11720	2.7
141.07024	3.4
142.07753	1.6
143.08569	9.4
144.09410	1.5
145.10130	13.1
147.11700	6.2
149.13289	2.3
154.07820	1.2
155.08569	8.1
156.09386	1.6
157.10179	11.5
159.11685	9.0
161.13277	2.3
165.06921	1.1
167.08537	1.6
168.09337	1.3
169.10112	10.8
171.11737	10.6
173.13312	4.8
175.14867	1.4
179.08583	1.5
181.10158	6.1
182.11012	1.7
183.11719	9.3
185.13257	8.0
187.14859	2.8
193.10146	2.2
195.11642	5.6
197.13304	5.4
199.14864	4.8
201.16367	1.7
207.11644	1.4
209.13246	5.5
211.14871	3.6
213.16441	2.1
221.13309	2.9
223.14783	2.8
225.16425	3.5
227.18143	2.2
235.14827	2.1
237.16310	2.7
239.17941	2.0
241.19757	1.7
251.18031	1.8
259.20483	1.4
265.19736	1.2
275.20007	2.0
277.19656	1.4
297.22125	1.3
313.21454	1.7
323.23706	1.4
328.48499	1.3
351.26785	1.7
365.28705	1.4
369.98914	1.3
405.21231	2.2
407.22232	1.4
407.30215	1.4
421.24521	1.6
429.21317	2.1
444.22900	1.4
447.32547	1.9
461.19748	3.7
470.49161	1.3
476.21860	2.8
477.22879	2.1
485.23474	4.3
489.22351	3.0
499.21542	1.5
503.24466	2.5
515.24664	2.2
517.40479	7.1
531.24268	4.9
535.41663	5.7
549.25494	3.7
559.23096	2.7
590.87769	1.4
591.26013	11.1
591.44208	7.4
609.27448	42.4
609.45166	100.0
610.27136	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4515
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03945	1.2
55.01855	1.2
55.05520	11.9
57.03424	2.8
57.07071	2.0
67.05169	1.5
67.05508	16.3
69.07074	8.7
71.58961	1.0
78.17477	0.8
78.30283	0.7
79.05497	11.1
81.07063	18.2
83.05001	0.9
83.08625	6.1
85.06552	1.7
86.22682	0.7
91.05482	9.6
93.07053	13.7
95.04945	0.8
95.08613	18.1
96.12585	1.0
97.06573	1.4
97.10191	2.0
105.07044	13.7
107.08614	9.7
109.06499	0.8
109.10168	8.0
110.43514	0.9
111.08102	1.2
116.06285	1.0
117.07019	6.7
119.08595	11.8
121.10133	5.0
123.11723	1.9
125.09667	0.8
128.06221	2.0
129.07016	7.5
131.08568	9.2
133.10135	7.3
135.11722	5.2
137.13228	0.9
141.07033	3.7
142.07764	2.5
143.08569	11.2
145.10138	10.0
147.11714	5.1
149.13315	2.3
153.07068	1.0
155.08548	10.4
156.09390	1.3
157.10153	11.8
159.11717	8.5
161.13342	2.5
163.14885	1.0
165.06969	1.2
167.08617	2.8
168.09445	1.6
169.10127	12.3
171.11679	9.4
173.13237	4.2
175.14807	2.3
179.08527	1.7
180.09315	1.4
181.10172	6.8
182.11038	1.5
183.11700	10.6
185.13272	7.9
187.14841	3.7
188.31831	0.9
189.16321	1.0
193.10107	2.0
195.11703	8.0
197.13246	8.2
199.14801	5.0
201.16501	0.9
207.11722	2.8
207.17290	0.8
209.13284	7.4
211.14841	6.7
213.16460	2.2
219.11839	1.5
221.13354	3.1
223.14900	3.8
225.16418	3.9
227.17950	2.0
233.13257	1.2
235.14926	2.5
237.16301	4.2
239.18083	2.1
241.19781	1.1
249.16385	1.3
251.18010	1.9
255.21222	1.0
257.19199	1.2
267.21094	1.1
293.22684	1.0
305.23224	0.9
311.23676	1.1
321.22174	1.2
323.23810	2.2
337.25262	1.3
351.26968	1.5
353.24649	0.8
361.25278	1.0
377.28638	1.5
393.27585	1.0
405.32025	1.0
447.32404	0.8
449.33789	1.2
474.76007	1.1
475.76254	1.0
499.39642	2.0
511.34158	0.9
515.37933	0.9
517.40533	10.0
535.41663	7.0
539.37238	1.6
553.42249	0.9
555.42365	1.1
573.43231	1.5
591.44128	10.9
609.45190	100.0
610.45752	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4515
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.50763	0.5
53.03936	2.0
55.01871	1.3
55.05264	0.9
55.05515	11.2
57.03449	2.5
57.07076	1.2
65.03946	1.0
67.05508	21.3
68.08599	0.5
69.07069	9.4
69.74046	1.0
69.74449	2.6
71.04992	1.1
79.05499	14.8
81.03405	0.5
81.07062	21.7
82.02369	0.5
83.04977	1.0
83.08624	5.4
84.00150	0.5
85.06560	1.1
91.05481	13.3
93.07043	17.3
95.04952	1.1
95.08611	18.1
97.06521	2.0
97.10172	2.5
97.59995	0.5
98.20803	0.6
103.05505	0.6
105.07036	13.2
106.22291	0.5
107.08597	11.8
109.06529	1.0
109.10162	7.7
111.08086	1.0
115.05458	1.1
117.07035	7.7
119.08586	12.6
121.10139	7.2
123.11730	1.8
125.09632	1.6
128.06236	2.0
129.06995	6.9
130.07790	1.0
131.08575	11.4
133.10139	9.2
135.11676	4.5
137.09622	0.8
137.13271	1.1
141.06990	4.1
142.07784	2.3
143.08572	10.9
144.09340	1.2
145.10126	11.5
147.11705	4.8
149.09622	0.6
149.13297	2.0
153.07033	1.3
154.07768	1.0
155.08568	8.0
156.09406	1.3
157.10133	10.9
159.11722	9.3
161.13269	2.7
163.11156	0.6
163.14906	0.8
165.07062	0.9
167.08585	4.1
168.09378	1.0
169.10130	9.5
170.10838	0.7
171.11699	8.5
173.13243	4.7
175.14880	1.1
179.08604	0.7
180.09308	0.8
181.10132	5.9
182.10939	0.8
183.11717	10.9
185.13219	6.4
187.11145	0.5
187.14841	2.5
189.16406	0.7
189.95082	0.6
193.10147	2.3
194.10854	0.9
195.11714	6.1
196.12518	0.6
197.13258	6.9
198.14236	0.6
199.14867	3.8
200.88246	0.5
201.16420	1.7
207.11758	1.8
209.13258	5.6
211.14830	5.0
213.16429	2.3
215.18044	1.4
219.11693	0.9
219.17537	0.5
221.13338	2.3
223.14825	3.6
225.16370	2.6
227.17972	1.9
233.13417	1.1
235.14851	1.2
237.16406	2.4
239.18073	2.7
241.17877	0.7
249.16397	1.2
251.18019	1.5
253.19502	1.7
255.17455	0.7
257.19147	1.4
259.20419	0.6
261.16470	0.9
263.17905	0.7
265.19571	1.6
275.20093	2.9
299.23727	0.6
309.22156	0.7
311.23999	1.1
311.27695	0.7
315.23325	0.8
321.21991	0.7
323.23563	0.6
323.92520	0.6
325.25693	0.6
337.24966	1.0
341.24780	1.2
349.25171	0.9
351.26895	1.7
365.28613	1.2
391.29947	1.0
395.29477	0.6
416.60693	0.6
435.58594	0.6
447.32446	0.7
449.34573	0.7
459.31110	0.7
475.35245	0.6
499.39700	0.8
517.40540	7.0
525.35632	0.7
535.41852	4.6
539.37396	1.4
540.38495	0.6
553.38513	0.6
591.44098	8.4
609.28088	2.5
609.45178	100.0
610.45343	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02388	0.5
53.03942	1.5
55.01863	1.2
55.05269	0.8
55.05517	13.7
57.03434	3.5
57.07069	1.6
63.74611	0.5
65.03934	1.1
65.26328	0.4
66.00448	0.4
67.05510	22.0
69.03456	0.7
69.06723	0.8
69.07072	11.6
69.38418	0.6
71.04994	1.0
77.53959	0.4
79.05058	1.0
79.05496	13.8
81.07063	20.1
83.04987	1.0
83.08618	7.1
85.06549	1.6
86.41927	0.4
91.05486	12.6
93.07050	15.6
95.04970	1.6
95.08613	16.1
97.06530	1.3
97.10175	3.3
99.08078	0.7
103.05443	0.6
105.04562	0.7
105.07043	12.3
106.58430	0.4
107.08604	9.4
109.06528	0.7
109.10158	7.6
111.08055	0.9
115.05477	1.2
117.07024	8.7
119.08595	12.7
121.10153	6.1
123.08045	1.0
123.11719	2.0
125.09616	1.2
128.06235	2.6
129.07004	10.6
129.07904	0.8
130.07759	0.6
131.08577	10.8
133.10130	10.5
135.11687	4.8
137.13269	0.6
137.96294	0.5
141.06999	5.7
142.07832	2.7
143.08575	15.0
145.10126	12.1
145.11261	0.5
147.11682	5.2
149.13245	2.6
153.07060	1.4
154.07834	1.6
155.08563	11.5
156.09383	1.9
157.10141	15.4
159.11708	8.7
161.13274	2.9
163.03938	1.2
163.11191	0.4
163.14803	0.7
165.07056	1.5
166.07712	0.6
167.08585	5.6
168.09349	1.8
169.10138	16.7
170.10855	0.9
171.11694	11.9
171.13132	0.6
172.12476	0.8
173.13261	6.0
175.14838	1.5
177.16466	0.6
179.08521	2.8
180.09438	0.6
181.10130	8.4
182.10925	1.2
183.11713	15.0
185.13271	7.8
187.14828	2.7
189.16452	1.4
192.09315	0.6
193.10126	2.7
194.11044	0.6
195.11722	10.4
196.12491	0.8
197.13261	11.2
199.13171	0.9
199.14818	6.3
201.16457	2.0
205.10280	0.9
207.11751	3.7
208.12343	0.5
209.13261	8.6
211.14862	8.5
213.13040	0.6
213.16486	4.2
215.17979	0.7
219.11678	1.4
221.13280	3.1
223.14818	6.5
224.15506	0.5
225.16402	5.8
227.16190	0.5
227.18013	3.6
229.15973	0.5
229.19572	0.7
233.13281	1.1
234.13863	0.6
235.14893	2.2
237.16385	4.6
239.14191	0.5
239.18002	3.3
241.19688	1.4
246.14053	0.6
247.14857	0.7
249.16386	1.7
251.17908	2.7
253.19667	1.6
255.21216	0.6
257.19186	0.6
259.20627	0.6
261.16324	1.1
263.17950	1.3
265.19681	2.3
267.21097	0.8
269.18954	0.6
277.19647	1.4
279.21188	1.5
281.19012	0.5
281.22751	0.5
283.20673	0.8
285.18484	0.5
289.19437	0.6
293.22540	0.6
295.20541	1.2
295.24332	0.6
297.22064	0.7
299.20084	0.7
307.20651	0.6
309.22244	1.0
311.19983	0.6
311.23599	0.6
313.21625	0.9
321.22275	1.0
323.23743	1.1
325.25626	0.7
335.23706	1.1
337.21680	0.7
337.25357	1.8
339.23093	1.0
339.26920	0.7
341.24814	0.6
347.23660	1.1
349.25266	1.3
351.22900	0.5
351.26895	2.4
355.26660	0.7
361.25156	0.8
363.27008	1.2
365.28424	1.5
367.26389	0.6
377.28278	1.3
379.25952	0.7
379.30087	1.3
381.28244	0.7
391.30045	1.0
393.31747	0.8
403.29941	0.6
405.31937	0.7
407.29263	0.9
421.31052	0.7
435.32367	1.2
447.32712	1.6
461.33719	0.8
465.33539	0.7
475.35327	0.8
499.39569	2.0
513.35498	0.6
517.40466	14.0
525.35992	0.6
535.41571	7.9
539.37695	1.3
553.42749	1.0
573.42993	2.6
579.44409	0.6
581.42053	0.6
591.44135	15.4
609.45172	100.0
610.45361	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
53.08265	1.3
55.01880	2.8
55.05266	1.6
55.05515	31.6
57.03431	4.4
57.07063	3.3
64.61523	1.0
65.03931	3.7
67.05507	90.3
69.03438	2.3
69.06724	2.0
69.07075	32.0
71.00851	3.5
71.05000	8.8
71.08655	1.4
79.05497	48.4
79.05962	2.6
81.03433	1.8
81.07059	100.0
83.04974	4.7
83.08621	15.9
85.06533	8.8
91.05483	33.2
93.07051	63.4
95.04968	4.8
95.08610	75.2
97.06546	7.8
97.10172	12.8
99.08105	4.4
105.04504	1.5
105.07042	25.4
107.08598	40.5
109.06521	3.0
109.10162	40.5
111.08067	5.7
111.11725	2.3
117.07026	11.8
119.08591	22.7
121.06502	1.7
121.10146	46.8
123.08083	3.1
123.11715	15.3
125.09659	6.5
129.06985	3.9
131.08578	17.2
133.10138	22.5
135.08057	3.3
135.11702	36.9
137.09583	3.4
137.13266	4.3
139.11169	6.0
143.08540	5.9
145.10123	15.7
147.08131	1.6
147.11705	18.5
149.09628	4.2
149.13263	12.6
151.11171	2.5
151.14827	2.6
153.09100	2.5
157.10092	4.4
157.12239	1.2
159.11700	10.7
161.13261	10.8
163.11198	3.2
163.14845	4.8
165.12808	3.0
165.16422	1.4
167.10657	1.7
169.10020	1.4
171.11658	6.8
173.11758	3.4
173.13290	8.9
175.14833	6.4
177.12753	2.6
177.16449	1.4
179.14423	1.4
181.10112	1.5
181.12228	2.1
183.11732	1.7
185.13275	5.2
187.13333	1.6
187.14864	3.3
189.11215	4.6
195.11719	1.5
195.13805	3.8
198.50414	1.1
199.14836	3.6
201.16466	1.6
203.12738	2.3
209.13345	1.2
209.15361	1.6
213.16498	1.5
217.19441	1.8
221.15390	2.1
223.16731	1.7
231.21013	1.3
239.17952	1.4
241.19514	4.7
243.21112	7.9
249.22153	1.8
257.19028	3.5
259.20563	16.4
261.22122	16.0
275.20120	3.6
277.21637	45.1
279.23199	34.8
295.22739	18.8
297.24341	10.1
313.23724	3.8
317.79926	1.2
519.41748	3.4
527.44354	1.7
537.43091	8.4
555.44012	19.1
573.45160	13.5
584.72418	1.4
591.45953	10.7
609.45880	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	609.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01870	5.2
55.05267	2.2
55.05515	28.1
56.67440	1.1
57.03437	3.1
57.07066	4.5
65.03932	4.7
67.05508	90.3
69.03422	4.4
69.07070	37.8
71.04991	11.5
71.08611	1.1
79.05499	53.8
79.05965	2.8
81.03401	2.3
81.07060	100.0
83.04996	5.6
83.08630	17.8
85.06548	8.7
91.04900	1.4
91.05484	37.0
93.07049	64.3
95.04976	6.9
95.08611	74.8
97.06541	9.7
97.10166	12.0
99.08095	7.5
105.04544	1.9
105.06376	2.4
105.07035	26.6
107.08601	43.9
109.06523	3.6
109.10158	41.7
109.10919	1.7
111.08094	5.4
111.11749	1.8
113.09676	1.3
117.07030	10.0
119.08592	22.4
121.06535	2.4
121.10143	49.9
123.08051	4.1
123.11714	13.6
125.09639	9.2
128.06194	2.0
129.07024	3.8
129.09148	1.4
131.08574	17.9
133.10146	20.8
135.08044	2.2
135.10681	2.5
135.11699	34.1
137.09598	4.2
137.13237	4.6
139.11203	6.1
143.08574	5.3
145.10129	18.9
147.08098	1.4
147.11707	18.1
149.09633	4.2
149.13264	15.8
151.11226	3.5
151.14867	1.4
153.12762	2.5
155.08577	1.5
157.10092	6.8
157.12257	1.3
159.11697	10.0
161.13268	11.3
163.11163	5.4
163.14830	5.1
165.12793	3.9
167.10703	1.9
169.10066	2.4
171.11650	6.3
173.11783	3.1
173.13264	8.1
175.14842	6.3
177.12729	2.3
177.16357	2.3
179.14319	3.1
181.10168	1.5
181.12210	2.8
183.11690	2.0
185.13271	7.5
187.13304	1.9
187.14839	4.0
189.11230	3.7
189.16335	2.2
191.14313	1.4
193.15811	2.1
195.11784	1.5
195.13780	3.4
199.14857	3.4
201.16464	2.1
203.12794	1.7
209.13301	1.6
209.15324	1.6
223.16945	2.5
235.16924	1.7
241.19518	7.3
243.21143	6.8
257.18982	4.5
259.20584	21.2
261.22168	16.5
263.23859	1.4
275.20038	4.1
277.21637	51.4
279.23212	41.4
295.22726	19.0
297.24261	12.7
335.25952	1.6
365.30630	2.6
417.33185	1.5
431.31638	1.4
433.33148	1.8
445.33023	4.7
463.34222	4.2
475.37851	1.8
517.40363	1.3
519.41846	4.1
527.44507	2.0
537.43182	11.0
555.44110	24.9
573.45129	17.6
591.46320	11.0
609.46167	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	610.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
63.31861	0.4
69.03433	1.4
69.71623	0.9
69.72031	1.3
71.04999	10.5
81.03385	0.6
83.04983	0.5
84.08147	0.5
85.02910	13.3
86.09721	0.5
87.04491	1.1
91.05485	3.1
93.07035	0.6
97.02898	3.5
99.04478	0.6
111.04431	0.5
119.04951	11.4
121.06516	2.7
129.05493	4.0
147.04420	100.0
148.04738	0.5
165.05482	2.8
215.10651	0.4
251.12917	0.6
291.08759	0.6
293.10214	1.3
309.09708	20.0
435.45389	0.4
455.15659	0.4
610.22723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87104	0.4
53.03942	1.3
53.99850	0.3
55.01889	0.4
56.48644	0.3
57.10940	0.4
61.27218	0.4
65.27975	0.3
67.05505	0.9
69.07063	0.4
69.41310	1.2
69.41739	1.6
70.06586	0.4
79.05472	0.6
81.07069	1.1
82.50513	0.4
85.02952	0.4
87.04478	13.9
91.05479	6.1
92.05035	0.4
93.07047	7.3
95.01325	0.7
95.04972	1.9
95.08604	1.2
103.05471	5.8
105.04543	0.9
107.04897	0.3
113.02393	0.8
118.06556	1.2
120.04517	1.8
121.06517	31.7
130.06584	0.6
131.05035	0.4
132.08112	0.5
136.07585	0.8
144.04539	0.5
146.06006	1.6
152.07059	2.8
158.06042	1.0
159.08139	0.4
160.07629	0.4
163.03922	1.0
164.03339	0.4
164.07103	0.8
165.05467	0.8
176.07133	1.4
178.05022	2.8
178.08630	4.3
186.05519	1.1
188.07091	1.1
190.05037	0.7
190.08643	0.6
202.08676	0.6
203.05754	0.4
204.03021	0.3
204.06554	2.1
214.05028	5.8
216.06613	0.5
217.07506	0.4
218.04573	2.0
218.08115	1.7
220.09692	2.0
230.04546	0.6
230.08211	0.5
232.06058	3.8
244.06139	0.8
246.07640	9.9
248.09273	1.0
258.04324	0.4
258.07584	1.2
264.08707	10.4
265.13074	0.5
272.05679	0.4
276.08832	0.3
276.12265	0.5
280.09650	0.4
282.09766	0.5
282.15015	0.4
290.10248	0.8
302.14001	0.4
303.11230	0.4
304.08337	1.0
304.74716	0.3
306.13293	0.5
308.07727	0.9
310.14401	1.1
312.12277	0.4
318.09775	2.3
328.15521	1.6
332.11295	11.8
334.13147	0.8
342.17053	2.5
344.11362	0.7
350.12411	4.7
358.09222	1.3
360.18036	3.5
372.14630	0.6
386.16135	0.6
394.11395	2.0
404.17105	1.3
414.19217	1.3
428.20767	2.9
430.13531	0.8
446.21768	3.8
472.19592	1.7
490.20724	2.5
514.17255	1.7
540.20972	0.4
610.26508	100.0
611.05670	0.4
611.27087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20910	1.9
51.30134	1.7
51.32007	1.9
51.63362	2.0
53.03946	3.0
53.06076	1.8
55.01889	3.6
55.05498	2.7
58.92923	1.7
67.05517	6.7
69.03438	7.1
69.07089	9.6
69.29559	2.3
69.51025	5.1
69.51447	9.6
71.05002	6.3
72.08147	2.2
79.05503	12.3
81.03428	2.3
81.07072	10.9
83.04990	26.1
85.02905	9.9
85.06553	4.5
91.05474	10.5
93.07055	23.2
95.04984	8.4
95.08605	4.7
97.02889	5.6
97.06537	26.2
99.04463	7.9
101.06012	2.1
105.07033	24.9
105.76367	1.9
107.04962	7.2
107.08609	13.2
109.06521	19.2
111.08106	3.2
117.07020	6.4
119.04971	8.5
119.08588	6.6
121.06502	26.5
125.06001	42.8
125.06857	3.8
127.07584	5.7
129.06998	2.1
131.08575	9.7
133.06490	4.8
133.10107	3.5
135.11722	3.7
137.05988	4.9
139.07574	9.7
143.07051	31.7
143.08594	3.5
145.06531	3.3
145.10141	58.0
147.11688	5.0
151.07578	7.5
157.08600	14.4
158.07269	3.5
159.08075	5.8
159.11705	26.1
161.09624	2.7
161.13318	3.2
161.65007	1.7
163.03952	3.9
163.11189	47.3
169.10114	9.7
172.08926	2.1
173.09642	31.3
173.11046	3.6
177.12804	11.3
182.07335	2.3
187.11206	51.3
191.10701	16.4
196.28430	2.2
197.09663	11.4
205.12254	48.9
209.11722	4.6
215.10693	67.2
221.63225	2.4
223.13281	16.9
233.11746	87.6
251.12796	100.0
269.13855	66.9
351.23386	2.3
610.22070	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	610.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.5
55.01861	2.4
55.05505	13.0
57.03428	3.4
65.03936	3.3
67.05502	31.3
69.03442	11.4
69.07064	11.7
71.04985	3.4
73.04761	2.8
73.28913	2.0
79.05483	29.0
79.06734	2.1
80.05846	2.1
81.03423	13.0
81.07056	31.6
83.04964	2.5
83.08602	6.8
85.02882	5.9
89.75995	1.8
91.05475	41.7
92.05811	2.1
93.07047	100.0
95.04977	8.2
95.08608	29.5
97.02893	4.6
97.06531	7.3
97.10169	3.9
98.20682	3.9
99.04453	2.3
105.04541	3.2
105.07041	25.2
107.04916	2.0
107.08596	95.7
109.02863	3.9
109.06508	5.8
109.10149	13.6
111.04390	2.1
115.03938	1.9
116.92838	1.8
117.07007	6.2
119.06106	2.8
119.08559	16.3
121.10164	9.6
123.08118	2.4
123.11687	4.1
125.09612	2.2
127.03896	4.1
129.06978	6.4
131.08562	13.8
133.10100	11.7
135.08000	3.8
135.11697	54.0
137.13226	2.7
143.08553	6.6
145.10118	13.7
147.11670	8.1
149.13248	4.7
153.12686	2.2
157.10150	5.4
159.11699	8.6
161.13266	4.0
163.11162	2.7
169.10161	4.6
171.11714	7.5
173.13268	5.2
175.14841	2.5
181.10130	2.9
183.11674	3.3
185.13232	3.3
186.47722	1.9
187.14810	4.7
197.13295	3.0
199.14726	2.4
229.59222	3.3
253.11185	1.9
259.20499	2.5
261.22189	4.9
275.20010	2.7
276.20215	2.2
303.23138	3.7
323.23566	2.0
348.24908	2.5
353.77725	1.8
369.24179	5.9
387.25259	5.2
405.26349	4.3
486.92380	2.1
517.35065	2.3
518.40594	2.9
557.38489	2.5
592.42950	2.2
610.37836	2.2
610.45581	26.5
611.35394	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	611.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40954	0.6
65.50560	0.6
67.64501	0.6
67.79371	0.7
69.28203	5.0
93.41556	0.6
94.92992	1.3
136.94006	1.6
156.85028	0.6
162.95520	1.2
165.58910	0.6
166.87256	0.7
166.95068	1.1
176.93541	0.7
206.94527	0.8
245.27896	0.6
268.98257	100.0
276.45850	0.5
279.84293	0.6
297.42029	0.5
381.08005	6.3
437.12039	0.6
549.47900	0.6
611.18463	0.8
624.68219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.14
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
62.27606	0.1
67.01864	0.6
68.99808	0.4
69.03430	0.5
71.12747	0.2
71.13104	0.1
79.05514	0.2
81.03417	0.9
85.02916	0.3
89.03918	1.2
91.05476	0.3
95.04973	0.2
97.02893	0.4
107.04967	0.4
109.02885	0.4
111.00810	0.2
111.04431	0.1
117.03394	1.8
119.04850	0.2
121.06535	0.2
127.03917	0.1
129.01802	0.1
135.04427	4.1
135.08031	0.1
137.02390	0.7
137.05984	0.3
145.02852	2.0
145.03992	0.1
147.04405	0.4
151.03952	0.2
151.45219	0.1
153.01836	6.4
161.02327	1.0
163.03918	22.2
165.05481	0.4
167.07111	0.2
171.02933	0.5
173.06065	0.1
177.05525	0.2
179.03427	0.5
181.04980	0.4
185.05919	0.1
199.03920	0.2
201.05571	0.1
203.03252	0.1
219.06551	0.3
241.04933	0.8
245.04448	0.2
259.06076	0.1
269.04474	0.3
287.05511	100.0
288.05875	1.0
303.05035	0.4
307.08167	1.6
325.09232	0.7
449.10428	0.2
479.26447	0.2
611.13995	0.5
611.23450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
53.50803	1.0
57.03428	1.4
61.02909	1.4
70.06574	1.0
71.04990	1.3
71.55911	1.1
73.02904	1.5
81.03415	2.1
85.02916	8.0
86.09689	3.1
91.05470	1.5
93.07035	1.2
97.02869	1.4
103.03944	1.6
107.04962	2.6
109.02879	2.9
111.19238	1.0
121.02856	2.4
121.06484	1.0
132.30351	0.9
135.04428	7.0
137.02348	25.7
137.03401	2.5
137.79706	1.0
147.04456	1.5
149.02376	1.1
151.03944	1.3
159.04385	2.3
161.02361	3.5
161.06039	1.7
163.03905	3.6
165.05316	0.9
173.02351	2.4
175.03928	1.3
176.01147	1.7
177.01851	3.1
177.05562	1.5
179.01993	1.0
179.03403	3.6
187.03929	1.8
189.01828	8.8
189.05502	2.2
189.60886	1.1
191.03369	5.0
195.02872	5.9
201.05496	2.5
203.03429	9.2
205.04967	1.5
207.02913	6.8
211.03900	1.8
215.03389	2.3
217.05009	4.0
219.02873	4.6
219.06436	1.1
221.04410	1.4
225.03932	1.9
229.04984	4.5
231.02927	2.2
233.04494	1.5
239.03429	1.2
241.05124	1.5
243.02863	2.2
245.18518	1.9
253.08511	1.1
255.02969	2.5
257.04449	2.8
283.05978	2.8
284.06793	4.4
285.03934	2.5
287.05447	2.3
295.05984	5.1
296.06747	1.5
297.07419	5.1
298.04642	1.7
299.05478	4.9
300.06378	2.7
303.04993	3.2
307.06116	2.1
309.07629	3.6
310.04718	19.8
311.05515	76.5
312.06207	7.1
313.07138	6.0
314.07767	1.1
320.06833	1.6
321.07397	1.9
323.05536	49.4
324.06305	12.7
325.07028	13.5
329.06558	4.8
333.07578	1.9
335.05484	6.9
336.06381	3.4
337.07080	25.1
338.07880	10.1
339.05008	2.6
339.08667	3.4
341.06567	90.2
345.07605	1.9
349.07047	6.7
350.07816	1.2
351.04852	1.6
351.08643	13.7
352.05710	2.9
352.09506	1.4
353.06564	55.1
355.07953	1.6
361.07129	3.2
362.07901	1.7
363.08612	12.5
365.06570	29.0
365.10553	1.2
366.07208	2.1
367.08142	18.8
371.07620	16.1
373.07031	1.2
377.06476	18.6
377.10364	1.3
379.08084	3.6
381.09720	12.3
383.07568	3.5
389.06512	4.7
390.07031	2.1
391.08298	8.5
393.05527	1.3
395.07623	47.9
401.06555	4.7
403.07941	2.4
405.09634	2.7
407.07651	29.6
409.09125	2.5
417.09686	3.3
419.07608	22.4
421.09122	1.6
425.08682	41.5
431.07980	3.1
433.09332	1.4
436.19690	1.2
437.08630	20.8
443.09772	32.6
449.08688	3.4
455.09787	26.6
461.09384	5.9
473.10852	100.0
479.09564	5.5
491.11911	24.5
493.11761	1.4
497.10825	28.7
503.09540	2.2
509.10617	3.3
515.11902	18.9
521.10620	5.3
527.11877	25.5
539.11926	21.1
545.12848	11.7
557.12909	27.5
575.13928	26.9
593.15015	17.5
611.16223	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	611.1608
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03961	0.3
55.01859	0.2
55.05528	0.2
57.03445	1.8
61.02921	0.5
65.72165	0.1
66.02032	0.1
68.99796	0.4
69.03429	1.0
69.10612	0.1
69.80192	0.4
69.80598	0.5
71.04998	10.3
73.02906	0.4
73.67532	0.1
73.73814	0.1
73.90698	0.2
75.04476	0.5
81.03416	0.6
83.04974	0.7
85.02911	15.0
87.04467	0.4
95.04980	0.3
97.02887	1.1
98.20780	0.2
99.04417	0.2
103.03985	0.2
105.19854	0.1
109.02882	0.4
111.00834	0.9
111.04443	0.4
114.62209	0.2
121.02876	0.6
125.17131	0.2
127.03951	0.8
129.05495	2.9
135.04289	0.2
137.02338	2.3
137.03365	0.1
145.04932	0.7
147.06528	0.8
149.02419	0.3
151.89349	0.2
153.01834	2.5
160.85252	0.1
163.03902	0.5
163.11179	0.4
164.11546	0.2
165.01860	1.4
166.02632	0.2
173.05992	0.3
183.02916	0.4
183.04477	0.2
195.02948	0.2
201.05403	0.9
204.99799	0.2
213.05513	0.2
219.02831	0.3
219.06624	0.3
229.04970	3.2
233.11751	0.3
247.06085	0.5
257.04471	2.4
274.04703	0.6
285.03992	1.1
303.05008	100.0
304.05353	0.9
345.06097	0.3
449.11639	0.2
465.10168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82943	1.5
55.01878	2.0
57.03428	2.4
59.78009	1.3
61.02907	2.5
65.32976	1.4
68.99797	2.0
69.03416	4.4
71.57525	1.3
71.57901	2.3
72.03043	1.5
81.03429	2.1
85.02920	11.7
85.06541	4.9
87.04467	1.8
91.05478	1.7
93.03391	1.9
97.02886	3.1
98.97593	3.7
103.03925	2.1
105.07044	1.8
107.04958	2.6
109.02868	4.4
119.00871	1.4
119.04935	1.5
121.02851	2.2
121.06513	2.2
131.04950	3.9
133.02911	1.6
135.04440	7.3
137.02364	28.3
137.03400	3.1
137.05951	4.3
145.02795	1.9
145.06442	1.8
147.04462	1.7
151.03891	2.6
161.02324	6.5
163.03897	10.0
165.01819	3.1
167.07082	1.9
175.03905	2.8
177.01932	3.3
177.05475	3.4
179.03426	3.9
181.04865	1.6
187.03885	2.4
189.01823	9.9
189.05353	2.2
191.03387	5.4
195.02843	6.9
201.01816	1.4
201.05466	2.4
203.03426	8.7
205.05023	2.3
207.02892	8.0
211.03815	2.2
215.03435	2.8
217.04993	4.4
219.02832	5.9
221.04428	2.7
227.03470	1.9
229.04942	4.7
233.04463	3.3
235.06056	1.6
237.02605	1.9
255.02939	2.1
257.04480	2.5
267.06564	2.1
283.06036	3.7
284.06720	3.2
285.03860	4.3
287.05505	14.6
295.05875	6.7
296.06796	2.5
297.07532	6.2
299.05493	17.9
300.06131	2.1
303.04932	2.7
307.05994	1.5
309.04175	2.1
309.07593	3.9
310.04733	22.3
310.08160	2.1
311.05524	76.2
312.06284	7.4
313.07104	10.2
323.05521	48.2
323.08890	1.5
324.06241	14.5
325.07071	17.7
329.06506	14.1
333.07822	2.0
335.05429	6.0
336.06277	2.8
337.03229	2.8
337.07062	25.9
338.07925	12.0
339.04834	2.8
339.08398	5.0
341.06567	93.6
342.07089	1.8
347.05502	2.1
349.07022	9.3
351.08627	13.3
352.05722	4.1
353.06577	59.9
355.08096	2.4
361.07065	3.3
362.07861	2.3
363.08795	10.1
365.06543	31.9
367.08127	21.2
371.07587	18.4
377.06381	16.5
379.08087	4.6
381.10025	6.8
383.07675	6.9
389.06537	6.5
391.08096	11.1
395.07660	49.1
401.06317	2.7
405.09680	4.3
407.07642	26.5
413.08850	2.5
415.08099	2.0
417.09753	2.6
419.07697	20.3
425.08713	38.0
431.08914	4.6
437.08722	17.9
443.09839	32.2
449.09933	3.4
455.09778	28.7
461.09760	5.8
473.10846	100.0
479.09653	5.2
491.11853	22.2
496.92670	1.6
497.10837	25.4
509.10559	3.9
515.11865	17.8
521.10645	6.4
527.11877	24.5
539.11877	25.2
545.13037	10.6
557.12915	32.9
575.14008	30.0
593.14899	15.5
611.15613	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	611.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
56.96549	1.5
58.99865	2.6
67.05511	3.7
69.07071	2.5
69.29550	5.4
74.21556	0.6
77.00922	11.2
78.72542	0.6
79.05505	6.1
81.07059	4.5
83.08607	1.6
89.11587	0.6
91.05502	4.1
93.07050	6.0
93.78584	0.6
95.01960	6.7
95.08624	3.2
97.10166	1.2
100.02492	1.4
105.07045	3.3
107.08597	2.4
109.10161	1.5
113.00849	0.9
117.07069	1.5
119.08609	3.2
121.10136	2.8
123.11756	0.7
131.01909	8.1
131.08563	2.0
133.10143	3.0
135.11713	1.2
143.08624	0.8
145.03500	0.8
145.10136	2.4
147.11699	1.7
149.02957	3.4
154.27255	0.6
159.11760	1.6
167.05440	0.8
173.06625	2.3
173.13251	1.3
175.14890	0.8
181.07191	0.7
183.08745	0.7
187.08124	1.9
191.07661	1.3
191.09236	1.0
193.10712	1.0
197.10190	1.6
199.08116	0.7
201.09723	3.2
201.11389	0.8
201.16412	0.7
205.10864	1.0
209.10225	1.0
211.11777	1.3
215.11310	6.9
215.13116	1.1
219.08749	1.1
219.10661	1.3
223.11839	1.8
227.11255	0.9
229.12819	4.2
231.12242	1.6
238.13007	0.9
241.12737	0.8
243.12241	0.6
243.14262	1.1
243.16319	0.9
245.14134	0.7
247.11806	4.0
249.13263	0.9
257.13702	0.9
261.13403	2.5
269.17563	0.8
273.13452	0.8
275.14935	2.3
287.15057	1.6
289.16473	1.0
297.16998	6.2
299.18570	52.2
301.20166	2.8
313.16452	2.7
315.18100	27.1
315.21851	0.7
316.16833	0.8
317.19638	100.0
318.19888	1.7
319.21259	3.9
329.19315	0.7
333.19244	1.9
334.18088	1.1
335.20706	41.6
336.21133	1.0
338.19666	4.8
340.21255	25.9
341.19705	1.0
342.22675	1.0
343.21158	1.4
351.18350	1.1
353.22827	0.8
355.21286	1.5
357.22900	1.1
358.22308	5.1
367.21109	0.8
369.22751	1.3
371.24463	1.1
377.23407	0.7
381.23459	1.2
393.25998	0.6
395.24493	0.8
405.26263	1.0
409.25827	1.6
423.27533	1.6
467.29910	0.9
493.31555	0.9
505.31198	1.1
557.37927	0.6
575.39435	13.8
575.47784	0.5
593.40131	1.5
611.24426	0.7
611.33423	2.0
633.88373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01875	2.1
55.05261	1.2
55.05515	17.9
57.03446	5.1
57.07071	3.0
59.04977	1.0
61.79332	0.7
65.03942	3.3
65.04240	0.6
67.05508	46.5
67.49426	0.7
69.03436	0.8
69.07070	17.7
71.04987	2.3
71.08622	1.3
79.05498	36.0
81.03426	0.7
81.07063	46.5
83.04994	1.2
83.08623	8.8
85.06556	1.3
91.05487	34.7
93.07050	42.6
95.04990	2.9
95.08611	36.9
97.06542	3.1
97.10197	4.0
98.21516	1.8
99.08096	1.5
103.05473	1.1
105.04516	1.1
105.07035	35.6
107.07867	1.2
107.08597	22.9
109.06535	1.0
109.10168	17.7
111.08124	1.7
113.09655	0.7
115.05456	1.7
117.07027	15.1
119.08583	28.8
121.10156	18.5
123.08035	1.5
123.11723	5.6
125.09638	0.8
128.06235	2.8
129.05553	0.8
129.07018	11.2
130.07787	0.9
131.08577	26.0
133.10146	22.2
135.08147	0.8
135.11711	12.6
137.13283	2.3
139.11188	0.8
141.07008	1.9
142.07794	2.0
143.08569	14.7
144.09393	1.3
145.10135	23.5
147.11697	19.2
149.13268	8.6
151.11111	0.9
155.08565	4.9
156.09360	1.7
157.10121	11.5
159.11702	18.6
161.13249	11.5
163.14827	4.0
167.08549	1.4
167.30814	0.6
168.09424	0.8
169.10124	7.8
170.10909	0.9
171.11687	12.9
173.13261	12.5
175.14824	5.8
177.12726	0.8
177.16418	1.7
181.10176	2.0
183.11707	5.9
185.13278	11.6
187.14832	5.5
189.16360	1.2
191.18092	0.9
195.11740	3.0
197.13263	5.5
199.13248	1.0
199.14880	7.6
201.16357	3.8
203.17966	0.9
207.11819	0.9
209.13254	1.6
211.14815	3.3
213.16406	4.1
215.18033	2.8
223.14893	1.8
223.64287	0.6
225.16438	2.9
227.18170	1.6
229.19681	1.8
231.21132	1.6
237.16444	1.1
239.18022	2.8
241.19664	7.7
243.21193	1.5
253.19672	1.2
257.18982	4.5
259.20584	17.5
261.22092	4.1
265.19644	1.0
275.20139	1.5
277.21722	0.9
285.22229	1.2
297.22205	2.2
299.23740	1.3
301.25146	0.7
303.23184	1.1
311.23618	1.2
315.23218	1.8
315.26694	0.8
325.25168	0.9
327.26733	0.9
333.24292	10.5
333.28140	0.9
335.25797	21.2
337.27719	0.7
353.28397	1.6
367.30045	1.5
381.31683	0.7
449.34427	1.1
501.41440	1.3
503.37665	1.0
515.38153	0.8
517.39502	0.7
519.42065	6.0
527.37140	0.8
537.42963	2.1
541.38977	2.0
575.44556	0.9
593.45624	8.1
611.46729	100.0
612.47534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01878	1.1
55.05270	1.2
55.05516	16.8
57.03436	6.1
57.07076	3.0
65.03933	2.6
67.05508	48.9
69.07070	16.1
71.05003	1.8
71.08630	1.1
77.03917	0.9
79.05499	35.1
81.07064	40.8
83.04977	1.3
83.08628	7.1
85.06518	2.0
88.03877	0.8
91.05483	31.5
93.07050	36.2
95.04967	2.7
95.08611	35.0
95.37090	0.8
97.06541	2.8
97.10168	2.7
98.20748	2.6
104.64404	0.7
105.04519	1.0
105.07040	32.2
107.07865	1.2
107.08597	21.2
109.06538	1.4
109.10171	13.5
111.08086	2.3
111.11720	1.4
115.05519	1.5
117.07029	12.4
119.08585	26.4
120.01484	0.8
121.10143	14.2
123.11703	5.1
128.06224	1.7
129.05524	0.9
129.07005	10.0
130.07756	1.2
131.08582	20.1
133.10144	20.3
133.11090	1.6
135.11720	13.0
137.13312	1.2
139.11212	1.1
141.07034	1.8
142.07811	1.7
143.08575	12.3
144.09346	1.1
145.10133	21.0
147.11699	15.2
149.09683	1.0
149.13275	6.2
155.08603	5.0
156.09334	1.4
157.10144	12.1
159.11703	15.4
161.13263	13.6
163.11166	0.9
163.14847	3.2
167.08595	1.3
169.10091	6.3
171.11713	11.6
173.13264	11.5
175.14833	6.5
179.08594	0.9
181.10175	2.3
183.11678	5.6
185.13269	10.0
187.14827	6.4
189.16490	1.6
191.17828	0.9
195.11789	2.2
197.13293	5.7
199.14816	6.9
201.16431	3.6
203.18002	1.6
209.13347	2.2
211.14879	3.3
213.16434	3.3
215.18031	2.4
217.15921	0.9
223.14861	2.0
225.16443	1.3
227.18086	2.1
229.19487	1.6
231.17522	0.8
231.21062	1.7
235.14912	1.1
237.16470	1.1
239.18057	2.5
241.19624	8.5
243.21120	2.1
255.21191	1.1
257.19061	3.1
259.20560	19.3
261.22247	4.0
263.64813	0.7
275.20184	0.9
295.20505	1.0
299.23813	0.9
311.23889	1.3
313.25204	1.4
315.23328	2.4
331.22937	0.9
333.24265	11.8
333.28159	1.0
334.56964	0.8
335.25833	20.8
337.27466	1.4
339.26950	1.2
351.26727	1.1
393.31454	0.9
397.42648	0.8
423.32230	1.0
449.34363	1.0
473.32849	1.1
487.34717	1.3
489.35895	1.0
501.41470	1.3
503.37433	1.2
519.41943	6.8
537.42963	3.4
541.38806	1.8
575.45270	0.8
593.45544	8.2
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	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01882	1.2
55.05515	10.8
57.03447	2.6
57.07081	3.0
63.66682	0.4
65.03951	1.1
66.53552	0.4
67.05512	18.3
67.05875	0.9
67.62105	0.4
69.03440	0.6
69.07073	9.5
71.04991	1.0
71.08636	1.4
79.05499	13.1
81.07066	18.3
83.04998	0.6
83.08624	6.4
85.06561	0.9
85.25719	0.4
91.05045	0.3
91.05486	12.4
93.07053	13.4
95.04967	1.1
95.08613	17.0
97.06551	1.9
97.10178	2.6
98.28898	0.5
103.52139	0.4
105.07041	12.7
107.08610	8.9
109.06523	0.6
109.10165	8.0
111.08098	0.8
115.05450	0.6
116.06251	0.7
117.07024	7.5
118.13916	0.5
119.08590	11.5
121.10164	6.1
123.08075	0.8
123.11742	1.4
125.09675	1.5
128.06273	1.9
129.07016	7.0
130.07834	0.6
131.08580	13.7
133.10147	7.6
133.61890	0.5
135.11699	3.9
137.13300	0.8
140.98470	0.5
141.06995	2.5
142.07788	1.3
143.08580	10.1
145.06525	0.4
145.10133	10.7
147.11702	4.9
149.09654	0.8
149.13300	1.7
155.04619	0.4
155.08574	4.9
157.10139	7.2
158.10954	0.5
159.11716	8.1
161.13312	3.0
163.14915	1.2
165.16512	0.6
165.76494	0.5
167.08632	1.5
168.09309	0.5
169.10127	7.1
169.11356	0.6
171.11705	8.0
173.13260	5.8
175.14854	2.0
177.16487	1.1
179.08575	0.7
181.10155	3.2
183.11696	5.4
183.13008	0.5
185.13289	5.6
187.14847	4.5
189.16446	1.2
191.17911	0.5
193.10231	0.6
195.11754	3.5
196.12550	0.5
197.13248	5.5
199.14876	5.0
200.15823	0.4
201.16356	2.2
203.14412	0.6
203.17909	1.0
205.19571	0.7
207.11758	0.9
209.13326	2.7
211.14847	4.0
213.14662	0.6
213.16473	2.4
215.17926	2.3
217.19543	0.9
221.13322	1.1
223.14914	2.2
225.16420	2.9
227.18062	2.5
229.19582	1.9
235.14856	0.9
237.16452	1.5
239.18073	1.9
241.19615	1.5
243.17603	0.5
243.21111	1.0
249.16461	0.6
251.18030	0.9
253.19688	1.1
255.21211	1.9
257.19012	0.8
263.18005	0.6
265.19611	0.8
267.21112	0.9
269.22910	0.6
271.20535	0.6
275.20285	0.6
277.21753	0.7
283.20731	0.8
283.24167	0.5
295.20462	0.6
297.22003	0.7
311.23624	1.0
313.21658	0.6
323.23755	0.7
325.25128	1.0
337.25150	0.6
339.23291	0.7
339.27075	1.3
341.24753	1.0
353.28564	1.8
367.30219	0.9
377.28137	0.6
381.32095	0.7
393.31705	0.6
395.33563	0.9
431.33029	1.1
435.32166	0.6
449.34012	1.1
463.35281	0.6
473.32019	0.5
489.35706	0.6
499.34589	0.7
501.41089	1.6
519.42120	7.3
537.43323	4.9
539.25385	0.5
541.39124	1.4
575.44073	0.8
593.45667	10.3
611.46759	100.0
612.47058	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	9.6
55.05505	18.5
57.03433	6.8
67.05503	55.7
69.07069	22.1
69.99561	23.8
79.05514	26.8
81.07066	52.1
83.08600	7.3
83.62811	5.7
91.05483	43.0
93.07059	43.2
94.07388	5.1
95.08612	39.0
97.10188	7.1
100.81287	5.3
102.52584	5.3
105.07037	40.3
107.08616	29.3
109.10192	18.5
117.07021	14.1
119.08579	32.9
121.10161	19.7
129.06995	11.6
131.08575	22.2
133.10107	20.5
135.11647	9.3
143.08521	16.3
145.10120	29.4
147.11639	16.6
149.13301	7.3
157.10126	13.9
159.11710	23.6
161.13286	17.5
171.11778	9.3
173.13274	10.8
183.11763	9.1
185.13269	11.3
187.14793	6.9
199.14864	14.5
209.12802	5.4
259.20590	18.6
263.98889	5.7
281.34512	6.5
333.24283	8.7
335.25885	20.4
458.28696	7.4
519.42114	7.5
593.45355	7.8
611.28540	10.9
611.46869	100.0
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
52.70784	0.8
53.03949	3.1
55.01874	1.5
55.05515	15.7
55.05782	0.9
57.03436	4.8
57.07076	3.3
57.20121	0.6
65.03953	1.3
67.05508	40.3
68.05814	0.7
69.07073	13.8
71.05006	1.8
77.03895	1.2
79.05496	27.4
80.05852	0.8
81.07061	42.1
82.07373	1.1
83.04998	2.4
83.08617	7.8
85.06553	2.0
91.05489	26.3
93.07053	33.4
94.07388	0.9
95.04987	3.2
95.08612	31.9
97.06548	2.6
97.10191	3.3
99.08096	1.1
103.05489	0.8
105.04512	0.8
105.07036	26.6
107.08604	19.9
107.09283	1.0
109.06538	0.8
109.10162	14.6
111.08094	1.1
111.11757	0.8
111.20108	0.8
115.05484	1.4
116.06287	0.8
117.07023	12.4
117.86198	0.7
119.08585	23.9
120.08967	0.9
121.10155	14.9
123.08096	0.8
123.11714	5.2
125.09695	1.1
129.05573	1.1
129.07018	8.4
131.08574	21.2
131.09499	1.3
133.10130	17.4
135.11707	10.1
135.12579	1.0
137.13263	1.5
138.58133	0.8
140.34587	0.7
141.07062	2.1
142.07797	1.6
143.08582	9.9
143.73236	0.7
145.10133	19.2
147.11691	17.3
149.13263	5.7
155.08543	4.3
157.10109	10.8
159.11707	13.5
161.13263	11.9
163.14865	2.8
167.08607	1.5
169.10120	5.9
170.10860	0.7
171.11720	11.9
173.13269	10.6
175.14835	5.8
177.12907	0.8
177.16484	1.0
181.10208	2.4
183.11685	6.6
184.12146	0.8
185.13290	9.8
186.13872	0.9
187.14850	6.3
189.16467	1.5
195.11732	1.8
196.12526	0.8
197.13240	5.3
199.13307	1.2
199.14786	5.4
201.16432	3.1
203.18045	1.2
209.13350	2.7
211.14748	3.6
213.16420	3.5
215.18069	2.0
223.14957	2.4
225.16446	3.0
227.18085	1.2
229.19408	1.0
231.21170	2.2
239.18092	1.8
241.19606	6.9
241.21329	0.7
243.21252	2.3
257.19009	3.4
259.20593	14.8
261.22278	4.1
287.23770	1.4
315.23291	2.0
317.24570	1.0
333.24252	10.1
335.22086	2.6
335.25757	17.7
337.27460	1.0
339.26965	1.0
351.26178	0.9
353.28348	0.9
501.41354	1.0
503.37439	1.7
519.41901	5.0
537.43201	2.4
541.38959	2.5
593.45520	9.3
611.46771	100.0
612.47253	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
53.71346	0.8
55.01870	1.6
55.05268	1.7
55.05514	21.3
57.03428	2.9
57.07066	2.6
65.03929	1.8
67.05508	79.1
69.07072	28.1
71.04995	7.7
71.08624	1.2
77.58252	0.9
79.05495	33.5
81.07061	95.9
82.78200	0.8
83.04984	4.5
83.08620	14.5
85.06541	6.3
91.05486	23.0
93.07050	44.6
94.07351	1.1
95.04964	2.8
95.08610	85.4
97.06528	9.2
97.10172	8.8
99.08116	2.2
101.06015	0.8
105.07030	16.9
107.02070	0.8
107.04908	0.9
107.08601	29.8
107.73016	1.1
109.06508	3.2
109.10161	44.7
111.08086	5.5
111.11723	1.9
116.90729	0.8
117.07037	5.6
119.08584	13.9
121.06460	0.9
121.10144	30.4
123.08061	4.0
123.11724	16.9
125.09606	3.3
129.06967	1.1
131.08574	12.0
133.10129	14.8
135.08026	3.0
135.11697	21.5
137.09595	3.1
137.13269	9.2
139.11156	3.3
145.10127	12.9
147.11671	13.0
149.09602	3.2
149.13271	10.3
151.11180	3.5
151.14830	2.9
153.12727	2.1
157.10072	1.7
159.11708	7.9
161.13260	15.0
163.11206	2.1
163.14824	5.3
165.12759	4.9
165.16385	0.8
167.10765	1.1
167.14236	1.2
171.11702	2.5
173.11755	2.2
173.13263	8.1
175.14848	4.7
177.12671	1.3
177.16417	2.4
179.14320	2.8
181.12244	1.5
185.13416	1.0
187.14844	5.5
189.16286	1.1
195.13853	2.2
199.14803	1.5
201.16440	1.6
205.15895	1.6
209.15401	1.4
223.16902	2.1
237.22151	1.2
243.18834	1.1
243.21132	12.9
259.20657	1.9
261.22153	32.2
275.20184	1.3
277.21521	2.3
279.23199	100.0
281.24789	0.9
295.22672	1.2
297.24252	28.7
337.67511	1.0
417.33548	1.0
435.34613	1.8
511.45566	1.4
521.43127	2.7
529.46057	1.1
539.44690	13.1
557.45721	22.4
575.46771	16.9
593.47675	5.3
611.48639	12.2
634.04395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01880	1.0
57.03413	0.5
65.03944	3.8
67.05495	1.9
69.03421	1.8
70.06609	1.0
71.04990	0.9
71.58647	0.5
79.05511	1.2
81.07071	0.6
83.05020	0.5
83.90382	0.5
85.02919	1.7
85.57314	0.4
89.03902	3.2
91.05486	1.1
93.03418	6.9
96.04511	0.5
97.02898	100.0
107.04955	0.8
111.04420	0.9
115.05468	0.7
117.03386	4.4
117.07085	0.6
121.02872	2.1
121.06534	1.1
123.04441	0.7
125.02346	0.7
127.03938	0.6
128.06226	0.7
129.07022	7.2
135.04427	10.7
135.08014	0.7
137.02353	3.4
137.05994	1.7
139.03879	0.7
139.05449	1.3
141.07013	3.5
145.02850	10.8
147.04381	1.2
149.02368	4.5
155.06114	0.6
157.06503	7.9
160.05251	0.5
163.03912	78.1
165.05504	0.6
167.03416	29.5
167.04829	1.6
167.07092	1.4
169.06494	2.2
173.05936	2.9
174.06737	1.6
175.03906	0.9
175.07555	14.8
177.05531	1.7
181.05035	1.1
185.05992	13.2
187.07491	1.6
201.05562	2.6
202.06334	0.5
203.07036	10.1
213.05505	7.6
231.06538	18.7
241.04985	1.0
256.72906	0.5
259.06113	3.7
277.07086	73.0
295.08142	12.8
303.04926	1.5
304.05441	2.5
317.02304	0.6
453.25604	0.6
516.88641	0.7
565.19427	0.6
612.21112	1.6
613.22791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
65.86188	0.3
67.05508	0.6
68.91927	0.3
69.03416	0.5
69.07044	0.4
70.01852	0.4
70.02143	1.5
76.68487	0.3
76.94420	0.3
81.07044	0.9
87.04471	21.9
91.05463	1.8
93.07042	2.4
94.84069	0.3
95.04989	0.6
95.08639	0.8
98.20834	0.6
103.05468	1.5
105.07011	0.5
106.06556	1.3
107.08545	0.4
113.02347	0.3
118.06544	0.7
120.08148	0.6
121.06509	19.1
121.10111	0.4
124.03951	0.6
134.06015	3.6
135.08081	0.3
138.05510	7.3
145.10101	0.4
147.04506	0.3
150.05531	0.9
163.03952	0.9
164.07063	5.3
165.07892	0.5
174.05482	0.4
176.07089	0.7
186.09090	0.4
188.07079	0.7
190.05009	1.7
192.06543	0.8
194.08199	0.9
200.04544	0.5
202.08690	0.4
204.06505	1.7
206.08133	5.3
208.06099	0.7
208.09732	0.6
210.07642	0.7
218.04483	2.6
220.06036	1.0
220.09619	0.4
222.07558	1.9
224.09187	9.3
228.13953	0.5
232.06100	0.6
234.07646	1.2
236.05574	3.5
246.07739	0.7
248.09132	0.5
250.07123	23.9
268.13440	0.6
276.08676	0.3
286.14410	0.5
288.08734	0.6
292.11847	0.5
296.12891	1.4
300.16000	0.6
314.13834	4.9
320.11276	1.3
322.09360	1.0
328.15540	1.2
330.13394	1.5
332.14929	5.3
336.10794	12.4
346.16470	9.1
418.18427	2.7
432.20206	100.0
433.20367	1.2
433.93134	0.4
517.96924	0.4
538.24323	7.5
552.25909	0.9
571.33185	0.4
589.35120	0.6
594.93982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05510	7.7
57.03436	5.5
67.05169	2.3
67.05510	31.7
69.07069	6.5
71.56895	1.6
79.05497	14.0
81.03416	2.1
81.07065	27.4
83.08617	2.7
86.09700	2.8
91.05465	7.0
93.07070	15.0
95.04970	2.1
95.08615	21.5
98.98486	3.4
105.07012	4.7
107.08599	6.6
109.10145	9.0
119.08575	3.3
121.06505	1.8
121.10139	6.6
123.11678	1.6
131.08586	1.9
133.10106	1.8
135.11708	2.3
149.13232	1.7
163.03920	2.8
178.12398	1.7
184.07375	7.7
335.25815	100.0
388.72516	2.0
432.27719	4.6
442.65179	1.7
530.23334	2.2
603.25525	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29972	0.4
52.71836	0.4
55.05505	0.8
57.07066	1.0
58.29642	0.4
67.05490	1.7
69.07066	1.0
70.87179	0.4
71.08621	0.9
72.51640	0.5
79.05507	0.9
81.07066	2.1
91.05492	1.2
93.07034	1.6
95.08599	1.4
98.21528	0.9
98.98469	1.7
105.07012	0.9
107.08604	0.8
109.10151	0.8
117.07037	0.8
118.06555	4.3
119.07391	0.4
119.08540	0.8
125.00027	5.0
131.08578	0.7
132.08084	1.2
133.10095	0.7
144.08087	11.1
145.10187	0.5
146.09615	1.6
158.09665	3.6
159.10449	1.7
159.11682	0.6
160.11238	0.9
162.09151	1.8
169.10030	0.6
172.11249	2.6
173.11877	0.6
176.10774	1.7
176.14355	22.7
177.11458	0.5
190.12209	0.7
202.15926	100.0
203.16225	0.7
220.16988	88.6
221.17395	0.6
300.13623	59.7
376.84183	0.4
594.38940	5.5
612.40131	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	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.05508	18.6
57.03440	12.2
57.07066	3.1
65.03945	3.8
67.05508	81.9
69.03419	2.5
69.07068	22.0
71.04998	44.4
71.57627	3.6
79.05064	3.1
79.05499	50.3
81.07063	98.6
83.04973	5.5
83.08205	2.0
83.08621	12.9
85.06544	9.6
91.05489	67.7
93.07050	55.8
95.04966	5.0
95.08617	30.9
97.06534	9.4
97.10181	4.2
105.07037	68.3
107.08615	33.0
109.06502	3.4
109.10165	18.4
111.08062	5.6
117.07043	16.7
119.08585	43.4
121.10155	18.7
123.08018	3.3
123.11716	11.6
125.09646	6.6
128.06241	2.8
129.07028	9.5
131.08574	25.0
133.10141	39.8
135.11700	20.4
142.89119	2.2
143.08540	8.2
145.10133	21.4
147.11690	26.9
149.09601	2.4
149.13246	9.4
151.11189	8.7
155.08495	3.4
157.10158	9.1
159.11691	22.8
161.13301	12.7
169.10143	4.7
169.78363	2.3
171.11713	11.0
173.13274	10.4
175.14821	4.7
177.12704	3.6
183.11668	4.8
183.13835	3.5
185.13185	4.7
187.13367	2.5
187.14890	3.1
195.13808	3.8
199.14807	6.0
201.14876	5.0
228.78748	2.3
231.21059	3.5
231.78696	2.4
239.17870	2.8
241.19618	10.9
257.17493	8.2
259.20682	31.5
261.22336	3.5
267.15799	2.3
269.17380	3.7
277.21613	3.8
289.21680	2.9
301.20120	33.7
301.32498	2.9
311.31592	2.9
315.23102	10.2
318.09976	2.5
333.24237	38.7
337.88925	2.0
409.30984	10.0
423.27203	2.6
435.32144	4.2
483.34543	7.5
501.35776	100.0
509.35977	3.3
515.37372	3.4
515.91345	2.5
527.37231	38.0
528.37439	2.8
533.38263	9.4
545.38074	7.9
559.39905	22.5
612.46295	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	613.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01849	0.3
55.05500	0.2
65.03943	0.4
67.01846	0.4
67.05489	0.3
68.99797	0.4
69.03424	0.9
69.07053	0.1
69.41001	0.2
69.41399	0.8
70.06602	0.2
71.04977	0.3
73.02905	0.1
79.05492	1.5
81.03416	0.6
81.07047	0.4
83.01313	0.3
85.02898	0.3
91.05479	1.7
93.07029	0.8
95.04971	0.3
95.08594	0.2
97.02902	1.2
97.06533	0.3
98.20744	0.2
99.04444	0.4
103.05475	0.3
105.07044	0.6
107.04948	0.5
107.08595	3.8
109.02905	1.2
109.06496	0.3
109.10148	0.1
111.04388	0.1
111.08056	0.3
115.05455	0.4
117.06989	0.7
119.04947	1.8
119.05833	0.2
119.08574	0.2
121.02851	0.6
121.06483	0.7
123.04426	0.3
125.05991	0.2
127.03960	0.7
129.01764	0.1
131.04941	0.4
135.08063	7.9
137.05978	1.6
144.05656	0.1
145.02866	0.9
145.04958	2.3
145.06458	0.4
147.04445	0.2
148.05205	0.2
151.03896	0.7
153.01826	4.6
153.05437	0.2
153.09140	0.7
155.06026	0.2
158.16861	0.1
161.05994	0.4
163.03903	0.5
163.07550	5.3
165.05457	0.2
167.07037	4.4
171.02867	0.5
173.05969	0.8
173.09686	0.1
177.05467	0.4
179.07042	0.2
181.04987	2.5
181.08585	3.4
187.07530	0.1
191.07042	1.8
193.08655	0.2
199.09618	0.9
203.07042	0.4
205.08594	0.3
207.06523	0.2
219.10258	0.1
225.05479	0.5
229.04945	0.3
233.08189	0.1
235.09673	0.3
257.07993	0.1
263.09244	0.4
271.06015	100.0
272.06384	0.9
287.05472	1.2
307.11905	0.3
313.06973	0.3
325.12833	0.5
327.12311	0.1
357.13544	0.2
385.12939	0.4
387.14310	0.7
417.15320	0.7
433.11572	0.3
537.18677	0.2
595.17896	0.3
605.04346	0.1
613.20428	1.5
642.42987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11378	0.3
68.47596	0.3
71.56042	0.3
74.02433	0.6
81.07053	0.3
85.02913	0.9
91.05479	0.9
97.02893	0.3
98.97571	0.3
109.06512	0.5
115.05447	0.9
117.05779	0.5
117.07011	0.8
118.06548	15.8
121.02883	0.3
121.06496	1.6
130.06509	1.3
132.08092	3.8
137.05974	0.6
142.06525	1.3
143.07257	2.1
144.08092	11.2
146.06017	56.8
147.04384	1.1
155.07060	1.1
156.53595	0.3
159.09193	4.9
160.07585	1.1
163.03923	0.5
169.08601	2.3
170.06010	3.8
188.07074	100.0
189.07352	0.9
197.08144	0.5
205.09738	51.7
206.10054	0.6
211.09657	0.8
229.10732	2.5
247.47565	0.3
251.06747	0.4
323.09830	0.4
339.07544	0.4
395.77948	0.3
410.28503	0.3
419.66171	0.4
467.77194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	30.7
67.05509	2.5
69.07069	2.3
71.57891	2.5
71.95293	2.1
81.07056	3.8
84.96056	3.9
91.05498	2.7
93.07095	2.3
95.04948	1.7
95.08599	1.8
97.96831	1.4
98.97592	82.1
105.07068	1.7
106.06321	1.4
107.08607	1.8
109.10204	1.6
110.97581	7.3
112.99140	33.6
116.98631	30.5
120.18842	1.4
124.99123	4.1
128.24495	1.3
128.98618	7.2
130.99194	2.6
131.00180	40.6
134.98784	1.5
134.99651	7.5
140.00208	5.9
140.98579	1.7
143.00159	10.0
144.98108	1.9
146.99641	2.2
149.01230	25.4
154.01749	7.7
158.01289	2.6
158.99677	41.6
161.01282	6.0
164.18240	1.6
165.09274	1.5
167.02348	2.0
170.99702	3.0
172.02847	4.1
173.01254	6.5
177.00740	33.2
185.01247	4.8
189.00746	4.4
191.02322	5.2
195.01735	2.7
199.02840	9.1
200.02271	7.9
203.02370	5.5
209.01213	2.7
214.03848	2.1
215.02335	3.2
217.03909	5.5
219.01842	9.7
227.02327	3.0
233.03317	2.7
237.02895	4.8
275.04382	17.6
293.05460	46.6
307.26984	1.5
311.06403	7.2
316.07037	10.4
317.17902	100.0
334.08194	3.4
335.18948	28.1
358.20587	16.5
377.20087	9.4
391.21503	3.6
403.21582	1.9
497.24280	4.5
535.25464	2.1
553.26898	72.2
573.75665	1.5
613.37164	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03944	2.1
55.01859	1.2
55.02462	0.5
55.05264	1.0
55.05514	15.2
57.03439	3.7
57.07082	3.5
65.03938	2.0
67.05508	40.1
69.06722	1.0
69.07074	16.8
69.83781	1.7
69.84173	1.1
71.04979	1.7
71.08630	1.6
79.05501	22.3
79.05966	1.3
81.07064	46.7
83.04999	0.9
83.08624	8.3
85.06538	1.9
91.05488	21.6
93.07050	29.7
95.04985	2.1
95.08613	40.0
97.06550	2.7
97.10178	4.9
99.08085	1.0
105.04541	0.6
105.07039	20.7
107.08600	21.6
108.84524	0.5
109.06541	0.7
109.10165	21.5
111.08083	1.6
111.11717	0.9
115.05441	0.8
117.07024	9.4
117.08362	0.6
119.08594	21.5
119.09454	1.1
121.10155	16.1
123.08032	1.0
123.11716	8.6
125.09608	1.3
128.06236	0.9
129.06992	3.6
131.08580	16.9
133.10141	15.5
135.11700	12.0
137.13245	3.4
139.11218	0.9
141.07030	0.7
143.08574	5.4
145.10129	15.2
147.11694	12.6
149.13274	7.3
151.11241	1.0
155.08594	2.4
157.10129	4.8
159.11711	12.4
161.13266	9.4
163.11220	0.6
163.14784	3.7
169.10162	2.3
171.11685	6.6
173.13277	11.1
175.14824	4.3
177.16472	1.8
181.10159	1.0
183.11723	2.2
185.13271	5.0
187.14827	5.4
189.16353	2.9
191.17979	0.7
197.13228	1.6
199.14838	2.9
201.16417	3.2
202.31595	0.5
203.17992	1.3
209.13383	0.9
211.14993	1.1
213.16467	1.3
215.18059	1.7
217.19563	1.6
225.16394	1.0
227.18088	1.1
229.19528	0.8
231.21031	1.1
238.60419	0.6
239.17976	0.6
241.19798	2.7
243.21140	1.8
247.20580	1.0
249.18777	0.6
257.19019	1.0
259.20596	7.0
261.22144	8.4
263.23730	1.7
273.22192	1.3
275.23944	0.7
279.23206	0.9
281.20969	0.8
287.23792	0.6
299.23859	1.3
301.25189	0.9
315.23306	1.1
315.26788	1.1
317.24896	1.3
333.24197	5.4
335.25839	14.3
337.27451	8.1
341.28415	1.1
347.25891	0.9
349.27637	0.7
355.30032	0.9
383.33514	0.6
465.37137	0.7
489.35861	1.4
491.38028	0.9
503.37259	1.8
515.38043	0.8
517.38696	0.9
521.43658	4.4
529.38727	1.3
531.40747	0.7
539.44727	2.7
543.40375	1.6
595.47351	12.2
613.48297	100.0
614.48669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	2.4
55.01870	0.9
55.05270	0.7
55.05518	12.4
57.03434	4.0
57.07072	2.2
65.03946	1.2
67.05510	38.7
69.07077	14.3
69.44793	2.7
69.45215	3.2
71.08643	1.1
79.05500	22.2
81.07064	39.4
83.04990	2.0
83.08627	7.2
84.26046	0.7
85.06559	1.0
91.05490	14.1
93.07050	25.1
95.04978	1.8
95.08616	38.6
97.06550	2.7
97.10185	4.1
103.05445	1.0
105.07046	19.2
107.04994	0.7
107.08598	18.3
109.06587	1.0
109.10169	17.8
111.08090	1.2
111.11684	1.0
117.07027	6.4
119.08595	17.0
121.10161	14.7
123.08098	1.2
123.11717	6.9
125.09638	1.3
129.07033	4.2
131.08591	14.8
133.10144	15.2
135.08113	1.0
135.11705	11.7
137.09718	0.8
137.13269	3.0
143.08574	3.8
143.13130	0.7
145.10129	14.6
147.11708	9.9
149.13284	6.6
151.11179	0.8
151.14825	1.1
153.12830	1.1
155.08537	2.2
157.10118	4.9
159.11723	12.7
161.13277	8.9
163.14809	3.7
165.16432	0.9
169.10226	1.5
171.10486	0.9
171.11670	4.1
173.13275	9.1
175.14847	3.4
177.12761	0.8
177.16393	1.2
179.14532	0.8
183.11697	1.2
185.13307	3.1
185.45534	0.7
187.14842	3.8
189.16443	1.6
191.14272	0.8
191.78880	0.8
195.11772	1.4
199.14886	3.1
201.16431	3.0
203.18114	0.9
213.16472	2.2
215.17921	2.3
227.18034	1.3
229.19479	0.9
233.19109	1.4
241.19609	2.6
243.21133	2.1
247.20547	1.1
259.20612	5.1
261.22125	7.4
263.23740	1.3
279.23404	0.8
285.22198	1.0
299.23718	1.0
309.24207	1.1
313.25232	1.2
317.24860	1.6
333.24313	3.9
333.27878	0.8
335.25824	10.5
335.29507	1.3
337.27444	7.1
361.27539	1.0
451.34915	0.9
475.34445	0.9
489.35617	0.9
491.37381	1.1
503.37329	1.4
521.43604	4.2
529.38806	1.2
539.44635	2.8
543.40417	1.9
595.47406	9.4
613.48297	100.0
614.48529	1.6
627.05029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.05514	0.5
67.05511	0.8
69.03452	0.5
70.54210	1.5
71.04961	0.6
75.73529	0.4
77.23114	0.5
79.05464	0.6
81.07050	1.1
85.02896	1.0
86.06922	0.4
91.05463	2.1
93.07049	2.9
95.04970	0.9
95.08590	0.6
97.02901	0.7
103.05457	2.4
104.42047	0.4
105.04515	0.6
105.07016	0.5
107.08562	0.7
113.02316	0.6
121.06511	37.4
131.08647	0.7
138.05507	1.6
144.08093	0.6
145.10158	0.4
150.05515	1.2
163.03920	0.9
164.07059	5.9
176.07109	0.6
178.05026	2.8
182.04425	0.6
182.08176	0.7
186.05461	0.5
188.07025	0.7
189.07854	0.5
192.06630	0.5
196.06059	5.4
204.06647	0.8
206.08122	1.9
208.06091	1.0
212.05536	2.1
218.04544	0.5
218.08052	0.9
222.07619	1.2
226.07111	18.3
230.07959	0.5
232.06044	0.6
232.09686	5.5
234.32417	0.5
246.07631	2.0
248.09218	2.4
249.06352	0.5
250.07150	2.8
260.09232	0.8
262.07101	2.7
264.08759	1.8
265.02228	0.5
275.13895	0.6
276.08640	15.3
280.08163	1.6
290.06586	7.9
294.06342	0.8
294.09738	3.1
308.07675	7.7
320.07547	0.8
322.09244	2.0
324.07220	3.9
332.11230	2.7
338.08694	31.4
372.18198	3.9
386.16098	3.8
404.17218	1.1
420.16431	4.2
434.18106	100.0
435.18488	1.5
444.13095	0.9
462.17493	0.5
476.18964	1.0
508.12454	0.5
540.22302	10.0
554.24097	2.1
614.30194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
55.70943	0.2
57.07079	6.3
58.06605	1.8
61.05971	0.3
65.03929	0.5
69.07052	0.5
70.06595	15.7
70.08907	1.0
71.08628	2.1
74.06080	0.5
74.97869	0.2
81.46581	0.2
84.08105	0.3
85.10171	0.7
86.20236	0.3
88.07632	19.4
93.07051	0.3
95.08595	0.4
102.09183	14.3
105.03357	0.4
108.87878	0.3
119.08563	0.4
131.04897	0.5
133.14194	0.3
139.03922	0.3
147.04384	0.4
149.02348	38.1
175.03908	1.0
192.77475	0.3
193.04968	45.9
205.98923	0.3
212.23654	0.3
213.31718	0.3
219.06450	0.9
225.05588	0.8
256.26364	37.2
269.04367	1.6
297.03842	2.4
297.06671	0.3
313.07117	2.8
341.06570	9.7
359.07596	5.3
385.09183	43.0
441.54962	0.3
555.33807	0.3
565.11285	0.3
591.35248	0.9
596.32275	0.6
614.33246	100.0
615.33423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.208
Annotation	Resinoside A
Peak:m/z	Relative Intensity
53.03948	0.2
57.03439	0.2
67.01880	0.4
67.05502	0.3
68.99803	0.3
69.03427	0.4
69.07049	0.2
69.44141	0.1
70.06576	0.1
71.58475	0.3
72.08138	0.2
79.05483	0.9
81.03424	0.2
81.07046	0.5
85.02908	0.3
86.09683	0.3
89.03937	0.2
91.05496	1.5
93.07050	2.5
95.05008	0.2
95.08616	0.3
97.02901	0.4
97.06517	0.2
105.07021	0.6
107.04960	0.2
107.08604	1.2
109.02905	0.3
109.06546	0.3
109.10152	0.2
110.08863	0.2
111.04504	0.2
114.14651	0.2
117.03379	0.3
117.62476	0.2
119.04930	0.6
119.08553	0.6
121.02835	0.2
121.06511	0.5
121.09312	0.3
121.10152	3.9
127.03956	0.2
131.08554	0.3
133.10149	0.4
135.04413	1.4
137.02373	0.5
137.06004	1.9
137.13226	0.2
139.54021	0.2
145.10115	0.3
147.04425	0.3
147.11664	0.2
149.05997	0.2
149.09619	3.0
153.01839	3.8
161.02397	0.5
163.09874	0.2
164.07083	0.2
167.07053	0.6
167.10663	0.3
168.07423	0.4
171.02914	0.2
171.11426	0.2
177.05530	0.2
179.03468	0.3
179.14052	0.2
180.06506	0.4
180.76244	0.2
181.04944	0.3
185.06081	0.2
241.04990	0.4
269.04483	0.4
271.06070	1.4
287.05515	100.0
288.05807	1.0
293.13745	0.8
311.14838	0.8
435.21191	0.3
571.34430	0.3
597.19568	2.6
615.23724	0.4
615.33197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.2
56.96562	1.1
57.07074	3.2
67.05485	1.4
69.03420	1.3
69.07066	4.1
71.04948	0.9
71.58845	1.3
72.08167	5.0
73.29343	0.9
74.02451	10.3
79.05477	1.2
79.59492	0.8
81.07074	2.1
83.04992	4.0
85.02902	1.1
86.09709	19.9
88.04012	0.9
91.05479	2.9
93.07040	2.4
95.08624	1.4
98.97546	1.8
100.63863	0.8
103.05473	1.6
105.07028	2.3
107.08574	2.5
108.59818	0.9
109.10172	1.0
112.07601	3.3
112.96103	0.8
119.08564	1.5
121.06525	8.6
121.10198	1.5
130.08667	6.5
130.43202	0.9
132.10197	4.9
133.10147	1.2
135.11766	1.5
144.84880	0.8
145.10124	1.3
148.03969	1.3
149.09735	0.9
151.06226	1.4
152.07098	2.1
163.03935	1.2
164.07086	1.1
166.05042	5.1
177.05473	1.0
177.83279	0.9
180.06573	63.0
181.12204	1.0
208.06097	1.6
222.07634	19.1
347.19403	1.0
379.18747	1.0
388.02359	0.9
393.20236	10.7
421.19818	1.4
435.21326	100.0
436.90472	0.9
473.44537	1.2
541.25519	9.2
555.24408	2.8
615.29138	1.8
615.38983	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06742	0.2
53.03943	0.6
54.37980	0.2
55.01873	0.3
55.05519	3.0
57.07074	3.3
58.32296	0.2
62.02428	0.3
63.47740	0.3
65.03922	0.3
67.05505	0.5
67.57539	0.2
69.03447	1.3
69.07071	3.6
69.09391	0.2
70.02919	0.4
70.06599	0.3
70.69604	0.5
70.69939	0.3
72.08157	2.1
73.06559	0.2
74.02444	11.8
79.05495	0.2
81.07041	0.8
82.08637	0.2
83.04984	3.8
84.08128	0.4
85.02888	0.4
86.09708	22.3
88.03980	1.0
91.05480	1.5
93.07044	1.9
95.04979	0.5
95.08600	1.1
97.02870	0.5
97.06513	0.4
98.06049	0.5
101.06069	0.2
103.05482	1.5
105.07036	0.5
107.08566	0.3
109.10128	0.7
112.07611	4.1
116.07087	0.8
118.08651	0.6
119.08580	0.4
119.20500	0.2
120.04465	0.7
121.06511	9.6
121.07378	0.5
121.10149	0.3
123.11675	0.3
127.03902	0.2
130.08647	7.7
131.04913	0.4
132.10207	5.5
136.07582	0.2
137.05974	0.7
140.14355	0.4
144.04413	0.3
148.03929	1.0
151.06250	0.9
152.07027	1.6
162.05475	0.3
163.03909	0.3
164.07088	0.9
166.05017	3.8
167.07097	0.4
168.13847	0.9
177.05424	0.4
178.08659	0.7
180.06560	69.8
186.14911	0.4
190.05008	0.8
194.08128	0.6
195.08754	0.3
208.06058	1.5
222.07617	21.5
282.09433	0.3
286.10858	0.4
287.05521	0.7
328.11777	0.9
347.19736	1.1
370.12976	0.2
371.13226	0.5
372.13675	0.5
377.20703	0.5
379.18723	0.5
389.20819	1.4
393.20203	10.0
421.19617	1.4
435.21277	100.0
436.21524	1.0
466.70279	0.3
493.21967	0.3
499.24182	0.5
541.25500	9.4
555.26825	0.4
573.27948	0.6
615.28699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01868	0.5
55.05274	0.4
55.05514	5.9
57.03438	0.5
57.05804	0.5
57.07067	0.4
63.49911	0.4
67.05484	1.3
69.03414	1.1
69.06738	0.7
69.07074	10.3
69.83865	1.6
70.06587	0.9
71.04996	0.4
71.08617	0.8
72.08160	42.8
79.05470	1.3
81.07076	2.6
83.04975	0.9
83.08608	0.5
85.02891	1.4
86.09704	1.0
91.05508	2.7
93.07050	4.4
95.04955	0.7
95.08616	2.8
95.51337	0.4
97.02882	1.0
97.06554	1.9
98.06060	4.2
98.97592	0.6
101.05956	0.3
103.05465	2.7
105.07011	1.7
107.08623	2.2
109.06551	0.5
109.10165	2.2
111.08060	0.7
111.11700	0.4
116.07123	2.9
118.07886	0.6
118.08664	7.9
119.04939	0.4
119.08594	2.4
121.06515	23.3
121.10136	1.7
123.08038	0.6
123.11669	0.5
126.09170	7.5
127.03917	0.5
130.07829	0.5
131.08563	0.8
133.10173	2.1
135.04376	0.4
135.11668	0.7
137.05939	2.0
138.97028	0.4
139.07507	0.7
143.08578	0.6
145.02843	0.4
145.10091	1.8
147.11649	1.0
148.03952	0.9
149.13266	1.2
151.06316	0.9
151.07443	0.5
152.07054	1.5
157.10121	1.0
159.11732	0.9
161.09639	0.4
161.13275	1.2
163.03931	0.9
163.14728	0.6
164.07077	1.5
165.09125	0.5
166.05000	2.9
167.07007	1.0
168.13853	3.4
173.13322	0.8
175.14809	1.1
178.08649	0.5
180.06564	56.8
187.14839	0.9
189.16437	1.5
194.08221	0.8
195.08727	0.9
195.13890	0.4
199.01218	0.4
199.14793	0.6
201.16394	2.5
203.17917	0.7
207.17494	0.4
208.06071	1.3
214.14413	0.8
222.07623	21.9
244.65016	0.4
285.27692	0.4
287.05450	0.9
293.05484	0.4
300.12122	0.6
306.42151	0.4
328.11905	1.1
342.13391	11.8
347.19739	1.1
374.15936	0.8
377.20660	0.5
379.18814	0.7
383.79111	0.4
389.20694	1.2
393.15070	0.8
393.20203	14.8
399.32364	0.7
407.33481	0.6
417.28418	0.5
417.33240	1.9
421.19550	1.7
435.21298	100.0
436.21674	1.2
453.35788	2.0
464.17142	1.6
499.23840	0.6
538.21069	2.0
541.25439	9.6
573.27826	0.6
615.27979	1.8
615.38885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.3
65.03915	0.4
67.05503	0.7
69.07059	0.4
71.57000	0.4
77.67957	0.3
78.42716	0.3
79.05505	0.6
81.07057	0.7
91.05479	1.5
93.07027	1.5
95.04948	0.5
95.08577	0.6
103.05471	0.7
105.07063	0.7
107.08585	0.5
109.10129	0.4
113.02345	0.3
118.06633	0.3
119.08615	0.5
121.06514	14.1
123.00392	0.3
124.04015	0.4
135.08133	0.3
138.05504	5.3
149.02383	0.5
163.03929	0.5
164.07074	1.0
164.48990	0.3
168.06578	2.3
182.08138	26.5
190.04996	0.9
204.06497	0.4
206.08099	3.0
208.06033	0.6
208.09689	0.5
209.10457	0.6
218.04486	1.4
222.07640	2.1
236.05545	1.3
236.09204	1.1
248.09348	0.4
248.12723	0.5
250.07143	6.1
250.10773	6.0
264.08670	0.4
266.10291	1.4
276.08850	0.4
278.10287	2.2
280.08154	3.7
288.12259	2.8
292.11807	0.6
294.09714	32.8
314.14331	0.4
330.13437	0.4
331.15814	0.3
344.18585	0.4
346.16479	0.4
349.16818	0.8
362.15637	0.5
367.18085	0.4
372.18161	0.6
376.17554	3.2
390.19119	100.0
391.19434	0.9
418.18033	0.4
496.23373	6.5
510.25009	0.3
561.63727	0.4
615.31036	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23384	1.5
53.03938	3.2
54.66030	1.5
55.05514	14.9
56.47963	1.5
57.07079	8.5
57.55750	1.5
59.05013	8.8
59.05256	1.8
65.03957	2.8
67.05508	20.9
69.03432	4.5
69.07072	11.6
71.04992	4.9
71.58598	2.5
73.06545	2.4
79.05499	17.3
81.03415	2.4
81.07067	24.3
81.95660	1.7
83.04990	5.4
83.08620	4.9
85.06543	17.7
89.06043	2.4
91.05491	30.4
91.06016	2.6
93.07044	49.8
94.24115	1.5
95.04978	7.6
95.08614	37.0
97.06536	3.7
99.08101	3.2
103.05499	1.6
105.07034	45.7
107.08598	34.5
108.05712	1.9
109.06525	8.3
109.10169	16.2
111.08102	7.3
115.05502	3.0
117.07043	12.5
119.08586	59.2
121.06534	4.8
121.10151	23.8
122.07336	1.8
123.08082	33.5
123.11696	2.1
125.06029	4.3
125.09641	10.1
128.06250	3.4
129.07031	7.2
130.07823	4.4
131.08574	24.0
133.06468	2.0
133.08594	2.7
133.10130	39.4
133.11082	2.6
135.08066	9.9
135.11708	13.9
137.05981	3.0
137.09621	9.7
139.11177	3.2
141.07089	4.5
142.07796	8.8
143.08577	14.4
144.09354	3.7
145.10114	31.1
147.08047	16.4
147.11659	16.2
149.09637	10.2
149.13269	4.1
151.07564	27.4
151.11166	8.1
154.07883	1.6
155.08556	8.5
155.10703	1.8
156.09399	8.0
157.10146	25.7
158.10983	3.5
159.08081	4.0
159.11703	21.1
161.09668	9.4
161.13258	7.8
163.11188	10.9
165.07027	3.3
165.09126	29.0
167.08615	3.0
168.09349	2.5
169.10141	11.7
170.10948	4.3
171.11702	13.9
172.12440	2.4
173.09656	3.1
173.13251	15.0
174.10547	2.3
175.11244	4.5
175.14859	14.1
177.09245	2.2
177.11258	2.1
177.12785	2.7
179.08618	3.8
179.14436	2.4
181.10124	4.6
181.12245	13.4
182.10968	3.6
183.11713	12.6
183.13783	1.5
185.09676	2.2
185.13310	7.5
187.11316	3.1
187.14862	4.6
189.11368	1.6
189.12762	11.9
191.14372	5.0
192.09465	2.2
193.08636	2.1
193.10228	5.0
193.12311	3.0
194.10898	2.3
195.11623	9.1
196.12569	3.3
197.13257	11.2
199.11290	2.1
199.14903	4.5
201.12840	4.3
201.16414	2.5
203.14330	13.6
205.10359	2.1
206.10973	3.7
207.11774	6.3
207.13873	12.5
208.12531	3.0
209.13345	10.2
209.15260	2.6
211.11462	1.9
211.13297	5.0
211.14931	6.5
213.12799	2.6
213.16473	3.4
217.15962	1.9
219.11795	2.5
219.17563	1.7
221.13345	4.9
221.15364	76.7
223.14868	4.1
223.17035	8.3
225.16510	3.5
229.15930	1.9
231.11679	1.9
231.13834	2.8
231.17557	2.7
233.13420	2.3
233.15448	2.8
235.14928	5.5
239.14531	2.0
239.17917	2.0
247.14793	2.5
249.16489	2.3
249.18697	2.7
251.16283	9.0
253.16170	1.9
253.19278	1.8
258.14319	2.0
261.16376	2.4
263.18008	2.5
265.15692	1.8
265.19623	2.1
267.21439	2.0
271.17120	2.6
275.17892	2.1
283.20673	3.2
286.19446	3.8
287.20413	2.8
296.38873	1.8
297.22110	2.2
299.20215	7.2
352.90594	1.7
375.26974	4.6
403.30289	2.8
407.29910	1.8
491.35315	6.9
565.40582	4.4
583.41595	20.7
597.43024	8.1
615.44171	100.0
616.44531	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	615.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07860	5.3
53.03947	6.7
54.13813	5.3
55.05098	4.8
55.05503	20.0
57.03436	8.3
57.07058	6.3
61.46273	4.6
67.05515	49.6
69.07072	23.8
71.57148	7.0
75.57520	4.5
79.05502	20.2
81.07067	52.8
83.08610	13.7
89.06024	15.8
91.05484	15.4
93.07048	40.6
95.08616	43.5
105.07018	14.2
107.08599	18.0
109.10158	20.6
109.60054	5.4
117.07059	6.3
119.08576	22.9
121.10147	20.8
123.11781	7.3
131.08571	11.9
131.48091	4.8
133.10121	19.9
135.11681	8.9
145.10114	12.8
147.11647	12.2
149.13272	8.0
159.11642	10.0
161.13298	9.8
163.14716	5.4
165.69218	5.1
175.14873	6.7
191.48801	5.4
204.15694	4.9
253.61296	5.0
261.22195	7.7
337.27228	12.5
596.04486	5.9
597.48700	9.5
615.49847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.8
55.05502	16.8
57.03434	7.3
57.07074	5.3
63.47797	4.1
67.05502	31.0
69.07058	18.6
71.08598	4.0
71.56814	5.4
79.05509	25.6
81.07066	38.6
83.08633	7.9
84.66039	3.9
85.59937	3.8
89.06039	8.2
89.91035	3.9
91.05496	25.9
91.88306	4.1
93.07049	29.2
95.08627	29.3
97.10191	7.3
105.07010	16.8
107.08594	16.3
109.10167	16.9
117.07033	5.2
119.08581	17.9
121.10151	18.2
123.11745	5.4
129.06836	4.4
131.08589	11.3
133.10133	14.3
135.11688	13.9
140.17410	3.9
145.10103	11.9
149.85493	3.9
157.10129	4.9
159.11719	6.5
161.13292	6.9
162.29330	3.7
163.14862	5.2
175.14948	6.5
189.16353	5.1
199.14835	4.7
209.94272	3.9
228.40158	3.9
275.23502	5.0
335.25668	8.2
337.27451	5.8
362.31110	4.4
523.45361	6.1
597.48663	12.6
613.64606	4.4
615.49847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
53.03954	2.4
55.01866	2.6
55.34347	0.5
57.03434	0.9
61.02923	1.2
65.03931	2.7
66.04729	0.5
67.05498	0.7
67.24874	0.4
69.03416	1.6
69.20052	0.9
69.20457	3.8
70.06600	1.0
71.04990	1.2
73.02930	0.7
75.04478	3.3
78.04703	2.4
79.05473	1.3
81.03428	1.2
83.39979	0.5
84.08135	0.6
85.02909	8.3
89.03915	0.7
89.06001	0.5
91.03941	0.5
91.05486	10.8
93.03407	10.5
93.07053	6.5
95.04967	3.5
95.06076	0.5
97.02494	0.4
97.02901	3.7
97.06547	3.0
99.04448	0.8
103.05479	5.9
105.04511	0.7
105.07036	3.5
106.04182	23.6
107.04947	1.9
109.02850	0.9
109.06501	1.1
111.04439	0.6
112.05090	4.7
117.03359	1.8
118.04173	1.0
119.04936	1.6
121.06509	28.9
122.07282	0.6
123.04417	1.6
123.08086	0.7
124.05260	0.7
125.06010	7.1
127.03909	1.8
131.04922	1.6
131.05942	0.5
133.06522	3.2
134.03645	3.6
135.04375	0.6
135.08067	0.6
137.05995	8.6
138.06717	0.9
139.07542	1.9
145.02884	2.2
145.04985	2.5
147.04459	0.7
148.05202	1.6
149.05992	44.2
151.03900	1.0
151.07547	1.6
153.05487	1.4
153.09109	10.8
161.05994	4.3
163.03897	0.9
163.07524	2.3
165.05429	1.0
166.06226	1.4
167.07047	6.5
175.07491	0.7
177.05482	20.6
179.06999	0.7
181.08600	20.4
187.07458	0.6
191.07031	2.7
193.08609	12.7
197.12952	0.5
200.54512	0.5
205.08609	0.6
209.08099	100.0
213.15732	0.5
249.11153	0.6
305.05585	0.8
306.05789	0.8
330.06128	0.9
330.10916	0.5
369.13312	2.0
371.13385	2.3
377.01486	0.5
383.14737	0.6
385.16595	0.6
401.15915	1.0
403.17310	0.8
419.15607	0.7
529.10449	0.5
556.14301	1.1
556.38684	0.6
616.16937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24102	0.4
55.05515	0.8
56.05025	1.2
56.96569	5.6
57.03427	0.5
58.06597	0.9
60.08164	5.9
66.11333	0.4
67.05508	2.2
71.07377	5.5
71.95255	0.9
72.08143	0.8
79.05478	1.3
81.07061	2.1
83.08627	0.4
84.96011	0.6
86.09708	23.0
91.05482	0.5
93.07040	1.0
94.48683	0.4
95.08607	1.8
98.20602	0.4
98.97617	0.7
98.98429	0.4
102.92604	1.3
104.10746	100.0
105.07044	0.5
110.97590	0.9
118.92091	0.9
121.10128	0.5
124.99997	2.1
128.98611	1.1
136.93117	3.4
154.94180	5.2
162.94675	2.2
172.95255	5.3
180.95699	7.8
181.02560	0.9
184.07359	2.9
190.96312	1.5
192.95978	0.5
198.96806	18.5
203.97250	0.5
210.96855	2.3
216.97852	8.2
221.98425	2.3
228.97807	2.5
236.98413	0.7
239.99550	0.5
240.09906	2.2
247.38795	0.4
254.99495	1.7
279.13242	0.4
282.03995	0.8
283.01974	3.1
300.05170	1.0
314.06723	1.0
317.17880	25.6
335.18939	9.0
335.25696	1.5
336.26398	0.7
358.20566	3.1
373.20520	1.0
437.17853	0.9
441.16943	0.6
453.17303	2.2
471.18256	3.0
494.20059	0.7
497.19809	4.7
500.24478	8.7
556.27118	17.7
616.18195	0.8
616.29120	14.8
617.27002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01870	1.0
55.05512	1.4
57.03429	2.7
60.47006	0.7
65.03941	2.0
67.05496	3.3
69.03432	5.5
69.07084	1.0
70.06584	1.9
70.47187	1.9
75.04468	1.8
79.05501	8.4
81.03406	2.1
81.07058	7.1
83.04962	1.2
85.02911	3.4
87.04519	0.8
91.05486	26.6
91.07399	1.0
93.07051	41.2
95.04972	4.7
95.08610	6.0
97.02898	94.0
97.06544	2.0
99.04447	2.2
103.05478	2.1
105.07032	9.2
107.04971	2.5
107.08597	9.1
109.06512	4.0
109.10178	1.0
111.04449	3.6
111.08073	2.0
114.05521	1.4
115.03929	2.2
115.05459	1.8
117.05428	1.0
117.07038	4.3
119.04958	10.5
119.08591	50.2
120.05781	1.1
121.02827	1.4
121.06522	8.4
121.10152	32.2
123.04427	3.8
123.08073	2.4
125.06026	1.2
128.06216	2.7
129.06989	3.1
130.07797	1.0
131.04922	2.1
131.08562	5.9
133.04922	1.1
133.06482	3.3
133.10127	1.9
135.04442	1.6
135.08037	3.0
135.11708	1.5
136.07590	2.2
137.05986	100.0
138.09174	1.1
139.03886	0.9
139.11218	1.8
139.15585	1.1
141.07007	1.9
143.08557	5.3
145.02811	1.2
145.06490	2.1
145.10136	6.3
146.07301	0.9
147.04399	1.7
147.08038	3.9
149.02385	1.7
149.06033	6.6
149.09630	9.3
151.03922	0.9
151.07582	2.3
155.08493	2.0
156.09354	1.6
157.06509	1.7
157.10092	3.5
159.08070	1.6
159.11719	2.1
161.05981	2.6
161.09654	2.4
163.03876	1.4
163.07547	3.9
163.11212	2.5
164.07069	3.3
164.08372	2.6
165.05525	2.9
165.07451	1.3
165.09106	2.9
166.07703	1.2
167.03418	1.6
167.10658	3.2
169.10078	1.2
171.08044	2.6
171.11728	5.3
173.09688	1.9
175.07640	2.0
175.11113	1.1
177.05446	2.0
179.07086	1.4
181.05026	4.4
181.10144	2.1
187.07547	1.9
189.09116	8.6
189.12717	3.6
191.03320	1.0
191.10645	1.8
199.11212	7.4
203.10732	2.2
207.06531	1.5
209.09642	1.1
217.08815	1.1
217.12270	22.4
223.06018	4.6
227.10735	4.9
233.11745	2.1
236.40352	0.9
245.11739	24.7
253.14355	1.7
263.12802	21.2
265.07056	1.3
281.13873	16.1
287.16431	3.2
299.14899	1.7
365.17654	1.8
366.77716	0.9
380.76337	1.0
383.18625	2.2
419.13498	0.9
419.20804	2.9
425.18243	2.0
436.17422	1.1
616.28162	1.6
623.55450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70497	0.3
55.05525	0.6
56.96570	20.8
61.34449	0.3
61.39563	0.4
65.41907	0.3
65.87465	0.4
67.05506	1.0
69.56855	1.7
69.57272	0.8
71.95259	1.0
74.56400	0.4
74.97630	0.6
77.80829	0.3
79.05529	0.7
81.07055	1.8
83.08611	0.7
84.96040	18.0
91.05492	1.3
93.07063	1.3
93.09023	0.4
95.08611	2.2
98.20831	0.7
98.97591	15.9
100.99200	0.5
102.97112	1.3
105.07015	1.2
107.08615	1.8
109.10183	1.3
110.97569	3.6
112.99147	1.7
116.98634	7.0
119.04955	0.7
119.08630	1.4
121.10164	1.5
124.99121	5.5
125.98672	0.6
128.98611	4.1
131.00159	2.8
131.08527	0.5
133.10162	1.4
134.99683	0.9
135.11723	0.8
136.99123	0.9
139.00706	1.2
140.00191	0.8
140.56792	0.4
140.98582	3.1
143.00180	12.8
143.08540	0.4
144.98106	5.8
145.10130	1.1
146.99666	2.7
147.04413	2.5
147.11699	0.6
149.01231	4.2
151.16904	0.4
154.93233	0.8
155.00189	2.4
157.01767	0.9
157.10228	0.4
158.99664	2.4
159.11786	0.7
161.01239	9.6
161.13264	0.4
162.99185	4.3
164.98604	0.6
166.01808	2.0
167.02310	1.1
172.02809	0.6
172.94310	1.0
173.01225	2.7
175.14891	0.7
177.00723	1.1
177.16399	0.5
179.02289	1.0
180.94785	2.5
181.00250	0.5
182.99672	5.9
184.02859	1.6
185.01295	0.7
186.00769	0.9
187.14877	0.6
189.00742	0.5
189.04669	0.4
189.16417	0.5
190.95389	0.7
191.02312	1.1
198.95865	3.7
201.00740	8.8
201.16441	0.9
203.02348	0.7
203.18011	0.9
206.01295	0.4
206.96365	0.5
209.13348	0.6
212.97421	0.7
216.96928	0.8
217.03813	0.4
219.01842	1.4
221.97372	0.5
222.95920	0.9
224.02342	1.2
224.97475	1.5
228.96890	2.0
240.96921	3.3
242.98512	2.2
246.95934	2.6
246.98090	1.2
254.98590	0.9
258.97922	1.1
263.98709	0.5
264.96927	8.9
282.94806	0.9
282.97961	16.7
287.98587	1.4
296.99686	0.9
300.99020	9.7
305.99557	2.9
317.17899	22.1
323.00870	0.4
324.00711	1.0
335.18970	6.3
339.00421	0.4
357.01477	2.2
358.20541	2.8
375.02621	2.0
391.21860	1.4
407.32983	0.4
453.33655	0.4
489.18179	0.6
557.21021	1.0
581.20587	0.5
599.22162	1.4
617.23071	100.0
618.23358	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.4
53.03932	1.6
55.05513	5.3
56.96550	1.3
57.03440	4.4
57.07045	0.4
60.08145	1.5
63.56815	0.3
65.03919	1.1
67.05506	20.3
69.06734	0.4
69.07068	5.4
69.21304	3.7
71.04974	0.3
71.07359	0.9
79.05499	12.0
81.03426	0.6
81.07059	16.6
82.59447	0.3
83.04961	0.5
83.08634	2.0
85.06519	0.4
86.09715	4.5
87.10045	0.6
91.04967	0.5
91.05483	6.4
93.07041	10.7
95.04933	1.3
95.08611	14.4
97.06527	0.7
98.21484	0.9
98.97578	0.6
104.10748	13.1
105.04542	0.4
105.07027	3.6
105.11075	2.4
107.08598	5.6
109.02866	0.6
109.10159	4.9
117.07021	1.1
119.08578	2.9
120.96602	1.9
121.06460	0.8
121.10148	4.0
123.11684	1.7
124.99977	1.2
128.98613	0.3
131.08559	1.5
133.10115	1.5
134.59122	0.4
135.11653	1.9
136.93102	0.9
145.10060	1.2
147.04352	0.4
147.11679	0.9
149.13211	0.7
154.94194	0.9
156.97502	2.7
159.11577	0.8
163.11217	0.4
163.14926	0.4
172.95235	1.0
173.13283	0.6
174.98518	2.1
176.99309	1.0
180.95758	1.3
182.99051	1.0
184.07344	3.4
185.04218	0.5
187.14795	0.4
194.98962	0.9
196.96880	0.4
198.96825	2.5
198.98573	1.6
201.00052	0.6
203.05276	5.5
213.00092	4.2
216.97823	1.4
216.99699	0.4
219.64708	0.4
228.97787	0.6
231.01184	0.7
265.00876	4.1
267.67569	0.3
283.01907	100.0
301.01666	3.4
301.20236	0.8
317.17947	1.5
318.18118	2.6
319.21301	0.6
324.04538	3.2
335.25790	22.2
336.19296	0.6
336.26270	0.4
357.04483	2.2
357.24091	0.9
358.20468	0.4
375.24963	0.9
412.07019	0.4
437.20297	1.3
454.18036	0.4
455.10751	0.5
455.20456	2.3
472.18613	0.4
473.21747	0.6
501.24631	1.9
555.18732	0.4
557.27460	2.5
558.16028	0.5
599.26019	1.1
617.26740	33.6
618.26746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.05515	10.3
57.05817	0.6
57.07071	2.7
59.04994	0.3
61.08975	0.3
65.03931	0.6
65.83155	0.3
67.05498	0.6
69.03432	0.6
69.07053	1.4
70.06591	1.0
71.04967	0.4
71.58569	0.6
72.08160	28.6
79.05472	1.0
81.03414	0.4
81.07057	1.6
83.04986	3.4
83.08580	0.4
85.02905	1.0
86.09685	0.6
91.05489	4.2
92.04984	0.4
93.07031	1.3
95.08599	1.4
97.02895	1.2
98.05428	0.7
98.06062	14.3
101.06016	0.3
105.07027	0.8
107.04944	0.4
107.07351	0.4
107.08590	1.7
109.06461	0.3
109.10146	0.5
112.11279	0.4
116.07098	12.7
117.03376	0.5
118.06503	0.5
118.08658	5.8
119.04936	1.2
119.08568	1.1
121.06511	0.7
121.10164	1.1
122.10406	0.3
131.04913	0.4
133.10143	0.6
135.04439	0.3
135.11647	0.5
137.05003	0.6
137.05988	7.2
137.13387	0.3
138.06334	0.6
143.08551	0.4
145.02834	1.0
145.10161	0.9
146.05984	0.9
147.04340	0.3
147.11696	0.5
148.03917	1.2
149.13260	0.4
151.06319	1.0
152.07034	2.6
153.01846	0.8
154.12296	2.4
157.09993	0.4
159.11725	0.4
161.13281	0.4
163.03859	0.9
164.07042	1.4
166.05013	4.7
173.13232	0.5
176.07076	0.6
177.05467	2.2
178.08621	1.1
180.06564	64.7
185.13402	0.4
188.07120	0.5
190.05009	0.8
194.08212	0.7
200.12669	0.3
203.18044	0.4
208.06062	1.2
220.06020	0.4
222.07625	21.6
227.98734	0.4
245.06363	0.6
259.11768	0.4
261.43399	0.3
287.05511	6.2
287.08527	0.6
288.05820	4.6
289.05966	5.6
302.10309	0.6
333.17926	0.5
344.11212	0.7
365.17355	0.8
369.29718	0.6
375.19351	0.5
379.18634	12.0
407.18295	1.7
421.19711	100.0
422.20062	1.0
430.13129	0.4
437.34164	0.8
455.35565	2.6
543.23450	10.3
573.36157	1.0
575.25970	0.9
617.26019	1.6
617.35370	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	617.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
56.05029	2.6
61.86810	0.9
67.05502	1.8
69.03424	2.0
69.07061	2.6
69.07594	0.9
69.30029	0.9
70.06579	1.8
71.58707	1.4
74.02438	2.3
79.05483	2.1
81.07063	1.9
85.02917	2.1
86.09700	10.4
91.05486	11.4
93.07050	16.4
95.04982	4.9
95.08613	2.2
97.02854	1.4
102.05532	1.1
103.05472	11.6
105.07037	2.5
107.08574	1.8
109.02880	0.9
109.10159	1.4
112.11237	9.9
119.08563	1.6
121.06509	99.6
121.10101	2.7
123.11733	1.0
129.07010	1.0
131.08551	1.1
132.04485	2.6
133.10133	2.0
135.08116	0.8
137.05969	3.5
145.02815	1.4
145.10117	1.3
147.04425	2.4
147.11711	1.7
160.03993	1.6
164.07158	1.8
166.05017	8.4
170.11826	1.4
170.90305	0.9
177.05489	2.4
180.06573	15.6
187.14799	0.9
189.16487	1.3
196.59102	1.0
201.16356	1.0
204.06584	2.4
206.04495	56.8
208.06076	1.5
218.08156	2.0
220.06052	100.0
222.07631	3.7
248.05534	33.8
262.07114	60.2
305.14981	1.7
317.14957	1.0
319.24554	1.1
326.10349	5.4
331.16397	2.8
337.09888	1.0
337.13889	1.7
351.15497	2.7
363.15466	4.7
368.11261	13.9
377.16971	11.4
379.14877	1.5
381.16528	3.5
393.16370	1.7
395.18173	6.0
400.13879	1.0
423.17593	33.5
437.19220	94.7
442.15179	1.4
452.16501	1.0
465.18692	19.9
483.21036	2.0
501.22263	1.7
543.23389	71.1
557.25006	2.0
585.24200	2.2
617.24866	1.3
617.41339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.05515	10.3
57.05817	0.6
57.07071	2.7
59.04994	0.3
61.08975	0.3
65.03931	0.6
65.83155	0.3
67.05498	0.6
69.03432	0.6
69.07053	1.4
70.06591	1.0
71.04967	0.4
71.58569	0.6
72.08160	28.6
79.05472	1.0
81.03414	0.4
81.07057	1.6
83.04986	3.4
83.08580	0.4
85.02905	1.0
86.09685	0.6
91.05489	4.2
92.04984	0.4
93.07031	1.3
95.08599	1.4
97.02895	1.2
98.05428	0.7
98.06062	14.3
101.06016	0.3
105.07027	0.8
107.04944	0.4
107.07351	0.4
107.08590	1.7
109.06461	0.3
109.10146	0.5
112.11279	0.4
116.07098	12.7
117.03376	0.5
118.06503	0.5
118.08658	5.8
119.04936	1.2
119.08568	1.1
121.06511	0.7
121.10164	1.1
122.10406	0.3
131.04913	0.4
133.10143	0.6
135.04439	0.3
135.11647	0.5
137.05003	0.6
137.05988	7.2
137.13387	0.3
138.06334	0.6
143.08551	0.4
145.02834	1.0
145.10161	0.9
146.05984	0.9
147.04340	0.3
147.11696	0.5
148.03917	1.2
149.13260	0.4
151.06319	1.0
152.07034	2.6
153.01846	0.8
154.12296	2.4
157.09993	0.4
159.11725	0.4
161.13281	0.4
163.03859	0.9
164.07042	1.4
166.05013	4.7
173.13232	0.5
176.07076	0.6
177.05467	2.2
178.08621	1.1
180.06564	64.7
185.13402	0.4
188.07120	0.5
190.05009	0.8
194.08212	0.7
200.12669	0.3
203.18044	0.4
208.06062	1.2
220.06020	0.4
222.07625	21.6
227.98734	0.4
245.06363	0.6
259.11768	0.4
261.43399	0.3
287.05511	6.2
287.08527	0.6
288.05820	4.6
289.05966	5.6
302.10309	0.6
333.17926	0.5
344.11212	0.7
365.17355	0.8
369.29718	0.6
375.19351	0.5
379.18634	12.0
407.18295	1.7
421.19711	100.0
422.20062	1.0
430.13129	0.4
437.34164	0.8
455.35565	2.6
543.23450	10.3
573.36157	1.0
575.25970	0.9
617.26019	1.6
617.35370	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	617.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.7
56.96352	1.0
56.96569	9.0
57.07080	2.1
62.59327	1.1
65.03945	3.2
67.05510	9.8
69.07070	7.2
71.58575	2.2
79.05480	5.3
81.07059	12.5
83.08617	5.8
84.96034	4.5
91.05483	21.3
93.07045	14.6
95.04994	1.2
95.08612	26.7
97.10143	1.2
98.97599	5.3
105.07036	18.2
106.63419	1.2
107.08591	26.6
109.10163	11.8
110.97604	1.4
111.08048	1.4
112.99162	1.2
114.15553	1.1
116.98660	1.3
117.07053	2.6
119.04956	31.6
119.08589	33.4
121.06530	1.1
121.10144	17.9
123.04476	1.9
123.11721	8.1
124.99094	1.8
128.98613	1.1
129.06969	1.3
131.00142	1.8
131.08575	9.9
133.10123	20.0
134.99658	1.4
135.11716	12.1
137.13254	2.0
142.07820	1.2
143.00179	5.0
143.08566	4.6
144.98093	2.2
145.10124	23.4
147.04413	100.0
147.11662	12.2
149.01299	1.3
149.13278	9.5
151.07567	1.7
153.09122	1.5
156.09360	1.3
157.10127	7.7
158.99655	1.7
159.11687	14.7
161.01216	2.7
161.13234	7.3
162.99156	2.0
163.07611	3.5
163.14841	4.5
165.05495	13.7
169.10143	3.9
171.11711	9.6
172.12494	1.8
173.01349	2.0
173.13235	9.2
175.11137	1.3
175.14842	15.4
177.09074	1.3
177.16389	8.1
182.99646	1.6
183.11765	3.6
185.13239	6.3
187.14841	15.5
189.16371	16.3
191.17944	3.4
195.11774	1.5
197.13332	3.0
199.14857	7.2
201.00751	2.4
201.16382	30.1
203.14340	3.4
203.17918	7.7
205.15895	11.4
208.12268	1.1
211.14822	3.8
213.16339	6.5
215.17998	7.9
219.17479	4.9
221.15413	1.2
223.14816	2.2
225.16397	3.0
227.17912	2.6
229.15855	1.6
229.19646	1.3
231.17569	1.8
233.15578	1.6
237.16377	1.5
239.17996	2.6
240.96916	1.1
241.19579	4.2
245.15379	2.2
247.16917	11.2
249.14798	2.4
253.19568	1.7
259.16968	3.2
261.18530	1.3
264.97083	1.9
267.21185	1.4
271.16931	1.3
282.97928	3.5
285.18399	1.3
287.20004	2.0
293.05273	1.3
293.22623	2.3
299.20102	3.7
300.98819	3.0
311.23627	1.6
313.21481	1.3
317.17859	11.5
318.18176	1.8
333.25964	1.4
335.18756	1.7
341.25714	1.4
370.02750	1.2
389.32031	16.7
407.33093	14.9
409.30960	4.5
435.26645	2.4
435.32593	42.2
453.33578	10.3
505.23886	1.3
554.27032	1.9
617.23083	31.6
617.38245	2.0
648.63080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90504	0.5
53.21913	0.4
55.05508	0.8
58.24674	0.4
61.33617	0.4
67.05515	2.4
69.07071	1.2
71.04988	1.3
71.58141	0.5
79.05499	2.0
81.07061	3.0
83.08640	0.5
87.04527	0.4
91.05478	1.8
93.07047	3.1
95.08625	2.7
97.06588	0.5
97.10178	0.5
105.07012	2.4
107.08596	1.8
109.06512	0.7
109.10166	1.4
119.08596	1.2
121.10139	1.1
123.11770	0.8
131.08586	0.7
133.10152	1.5
135.08032	0.5
145.10158	0.9
147.11716	0.7
157.10075	0.4
158.23384	0.4
159.11787	0.4
165.12794	0.6
174.16473	0.5
184.07391	0.4
212.38968	0.4
222.96225	0.4
267.15659	4.3
317.21014	2.0
323.18277	2.6
373.23633	2.0
573.38892	0.6
595.86707	0.5
617.40283	100.0
618.40784	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54546	0.4
61.84329	0.5
65.03934	1.9
65.55281	0.5
69.03458	0.5
70.06574	0.6
71.57722	0.8
79.05493	0.8
81.07051	0.9
81.42332	0.4
84.08151	1.0
85.02891	0.8
91.05482	29.2
97.02850	0.6
109.06515	1.3
112.07631	0.6
119.04948	14.4
119.05785	0.8
137.05977	36.4
137.70596	0.5
138.06361	0.6
145.05139	0.7
147.04462	0.6
158.06000	0.9
163.03952	0.9
169.98564	0.5
170.06017	0.9
176.07048	0.5
177.05505	1.2
177.07874	0.5
184.07552	0.6
186.05511	1.9
188.07034	0.7
195.14400	0.5
198.05490	0.5
200.07085	1.6
201.07854	0.9
202.08690	0.9
204.06546	0.8
207.06700	0.8
212.03566	1.0
212.07106	0.5
214.05003	2.0
216.06604	1.3
217.07401	1.0
218.08145	1.6
228.06596	1.6
229.03677	5.2
229.07367	0.5
230.04546	1.8
230.08168	1.7
231.08936	0.5
232.06149	0.6
232.09697	2.1
233.10629	2.2
240.02962	0.9
240.06660	0.5
242.04442	2.3
242.08104	0.9
244.06046	5.4
244.09709	1.2
245.06850	1.1
245.10504	0.5
246.07611	8.1
248.09160	0.9
254.04475	0.7
256.06091	1.5
257.03220	1.3
258.03992	0.7
258.07663	1.9
260.05698	1.1
260.09283	1.8
261.09979	1.9
262.10901	0.7
268.02420	0.7
270.07687	0.7
272.05576	3.5
272.09247	1.9
273.06317	8.6
274.07141	4.4
274.10471	1.0
275.04160	0.7
275.07721	0.5
276.08725	4.0
284.05643	1.6
285.06445	0.6
286.07108	5.7
286.10361	0.8
287.07919	0.9
288.05188	2.6
288.08731	12.6
288.11926	0.7
289.06174	0.8
289.09402	5.6
290.10205	15.9
298.07181	1.9
299.04404	1.4
300.05078	1.3
300.08765	3.7
301.05814	16.5
301.09195	1.1
302.06619	3.5
302.10046	0.9
305.05298	0.9
312.04990	1.2
314.06625	1.2
314.10281	1.5
315.07483	0.7
316.08154	59.1
317.08783	1.0
318.09808	2.6
326.06589	1.3
330.06091	3.8
330.09683	1.2
331.06927	1.0
331.10568	0.7
334.09253	1.0
342.09851	0.5
344.07642	7.2
348.07092	0.8
350.12582	0.5
358.09427	0.9
360.10916	0.7
362.08679	1.6
378.11847	1.7
387.09689	1.1
390.08292	2.1
404.09729	26.9
422.10974	1.5
446.10529	0.8
464.11981	2.7
470.14688	2.7
482.13361	1.1
498.14053	1.7
540.15039	1.0
558.16058	29.7
600.17230	5.1
618.18152	100.0
619.18182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.05030	1.6
56.96568	10.9
57.21644	0.4
58.06610	0.5
60.08171	6.1
62.54945	0.4
67.05507	2.2
69.05500	0.4
69.07069	0.6
69.29480	4.2
71.07372	5.4
71.95279	0.8
72.08153	0.7
72.96056	0.5
73.08395	0.5
74.97615	0.5
79.05482	0.7
81.07059	1.4
84.96040	4.3
86.09711	22.1
86.10245	1.1
88.25201	0.4
91.05492	0.7
91.59146	0.4
95.08601	0.9
98.97604	4.1
102.92603	1.3
102.97070	0.6
104.10749	100.0
105.07042	0.6
107.08610	0.6
109.10169	0.6
110.97572	1.4
112.99161	0.4
116.98650	1.7
118.92159	0.8
124.99135	2.0
125.00021	1.8
128.98616	1.2
134.99602	0.6
136.93105	3.6
138.10585	0.4
140.98627	1.0
143.00174	4.0
144.98071	1.7
146.99712	0.7
149.01291	1.2
154.94209	4.4
155.00038	0.5
157.01649	0.5
158.99669	0.6
161.01218	2.5
162.94701	2.0
162.99115	0.8
171.03180	0.5
172.95270	3.5
177.95833	0.7
180.95750	8.9
182.99687	0.6
184.07327	0.7
190.96295	1.3
196.58974	0.5
198.96835	20.1
201.00790	2.0
202.01009	0.9
203.97318	0.7
210.96851	1.7
216.97888	8.0
221.98442	3.0
228.97891	2.5
239.09546	0.7
239.99548	1.0
240.09984	2.4
240.96837	0.7
246.95917	0.6
254.99538	1.0
258.70169	0.5
264.96884	1.4
282.04218	1.2
282.97983	3.2
283.02054	0.6
283.98355	0.9
287.98672	0.5
296.05823	0.9
300.05383	0.7
300.99139	1.6
305.99622	0.5
314.06812	0.9
314.32492	0.5
317.17831	2.6
318.18103	4.2
319.19431	13.8
335.19040	1.5
336.19278	0.9
337.20511	15.1
337.26959	0.7
359.21002	0.5
360.22165	3.2
433.84137	0.5
439.19507	1.6
443.18625	1.4
455.18909	1.5
455.68634	0.5
473.19815	5.5
496.21353	0.5
499.21457	5.1
502.26099	10.7
506.73694	0.8
514.89966	0.6
558.28723	17.7
600.22150	0.8
618.23083	23.3
618.31055	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	619.179
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27466	2.4
69.34285	7.7
69.34720	13.2
70.06566	4.9
77.19341	2.4
84.08105	2.3
91.05490	3.2
97.02882	4.4
98.97574	3.6
119.04957	2.9
121.06509	2.5
131.99686	2.1
137.06042	5.6
147.04393	4.1
154.05527	2.4
163.03864	4.1
164.07025	4.6
177.05559	3.5
194.08148	2.8
219.42453	2.5
237.02878	3.8
454.51401	2.7
487.79105	2.2
535.93292	2.3
619.17688	100.0
619.26245	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	619.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50151	0.4
53.03934	1.0
53.84000	0.5
55.01838	0.6
55.05490	0.7
65.03957	0.6
69.07076	0.8
70.06603	0.5
71.28041	0.9
81.07056	0.6
85.02914	1.1
89.03882	0.5
91.05488	9.7
93.07050	7.2
95.04977	1.1
95.08595	1.0
97.02880	1.3
103.05470	4.8
105.07040	0.7
107.04944	0.6
107.08549	0.6
109.10126	0.6
115.05418	3.5
117.05724	1.4
117.07001	3.6
118.06550	56.2
119.04947	1.8
119.08585	0.7
121.06510	34.7
121.10146	0.7
126.79729	0.5
132.04448	0.6
132.08102	0.8
134.05986	1.0
135.11722	0.7
137.05974	2.6
142.06523	5.9
143.07295	6.1
144.04459	2.3
144.08095	22.9
144.09241	1.2
145.06451	0.8
146.06017	100.0
147.04373	1.1
155.06012	1.1
160.03975	3.9
160.07590	1.5
162.05508	3.2
164.07135	0.7
167.03487	0.6
170.06015	8.7
172.03952	0.5
175.03880	1.2
176.04288	1.2
176.07066	2.0
177.05521	1.3
178.04984	3.3
180.06572	2.9
188.07079	69.7
192.06567	16.9
194.08144	21.6
194.09926	1.2
202.05141	0.6
203.17969	0.6
206.04471	1.5
207.06488	3.1
208.06857	2.1
220.06030	9.9
220.07936	0.8
222.07767	0.5
236.05482	0.5
236.09206	4.0
238.07103	5.7
252.08627	3.8
268.11713	1.4
280.08170	22.3
287.05533	1.0
289.06158	0.6
294.09683	2.7
305.92661	0.5
312.10779	2.2
313.78189	0.7
325.10873	0.8
330.95947	0.5
338.08820	1.2
376.56497	0.5
381.16705	1.2
388.11362	0.5
423.17728	2.0
432.16583	74.7
433.16867	0.8
437.69446	0.6
439.13882	1.2
457.37201	0.7
458.65134	0.5
467.14648	3.4
481.16174	0.6
490.17282	1.8
513.41962	0.6
619.22955	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34932	0.3
62.91884	0.4
65.03920	0.9
67.05495	0.4
69.03416	1.0
69.07076	1.9
69.53996	0.3
69.54316	2.5
74.02441	3.6
79.05493	0.7
81.07053	1.9
84.08131	0.9
85.02895	1.2
86.09218	0.5
86.09711	8.9
86.10227	0.5
88.03975	1.9
91.05482	11.2
93.07045	0.9
95.04974	0.6
95.08607	1.9
97.02888	1.0
98.09684	0.7
100.03971	1.3
105.07032	0.8
107.08568	1.4
108.08145	0.4
109.06540	0.6
109.10172	0.7
112.07629	0.8
119.04946	5.9
119.08578	1.5
120.04460	0.6
120.08154	0.4
121.06488	0.7
121.10120	0.9
127.03886	0.5
130.08606	0.7
131.08551	0.5
132.04424	0.7
133.10126	1.1
135.11638	0.7
137.05981	23.3
137.09596	0.4
145.02904	0.4
145.10109	0.6
147.11714	0.5
148.03986	0.7
148.31366	0.4
151.06349	0.8
152.07092	1.7
156.10248	2.2
159.11746	1.0
160.03996	0.5
161.13158	0.5
163.03844	0.4
163.14868	0.4
164.07059	0.5
165.05530	0.4
165.09111	1.5
166.05009	12.1
169.09116	0.3
173.13167	0.5
174.11185	0.5
177.05467	0.5
180.06560	43.8
181.06735	0.4
187.14732	0.5
189.16353	0.9
191.17810	0.4
194.08142	1.0
199.14876	0.7
204.06563	0.9
205.15924	0.6
206.04495	8.2
206.08084	0.7
207.17505	0.6
208.06030	1.2
220.06050	40.3
222.07623	6.7
234.07698	0.7
241.19611	0.4
248.05547	1.9
255.21086	1.2
262.07138	8.8
292.10809	0.4
295.09674	0.5
303.13477	0.4
305.14935	0.7
317.14792	0.8
321.14423	1.7
335.16025	6.6
338.78635	0.4
342.09335	0.5
344.11499	0.5
349.13876	1.6
351.15506	0.8
363.15491	3.9
367.15048	10.5
377.17126	4.0
381.16559	32.9
384.10690	0.9
391.14957	0.8
393.16888	0.6
395.18039	0.5
400.09268	0.4
409.16077	16.8
409.34827	1.2
415.56824	0.4
417.90793	0.4
423.17633	100.0
424.17947	1.4
427.35754	0.8
439.35690	1.3
451.17215	4.3
457.19415	0.6
457.36838	4.9
485.19080	0.8
499.20828	0.5
503.20496	2.5
545.21307	29.2
577.23773	1.0
587.22406	0.8
589.37805	0.5
603.12726	0.4
610.17010	0.4
619.25287	1.3
619.37671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.6
57.07074	2.6
58.58130	1.3
65.03951	1.8
67.05502	6.9
67.99924	1.4
69.07066	7.4
69.60754	7.9
70.22015	1.3
79.05499	4.5
81.07061	15.8
83.08634	6.9
84.30511	1.3
91.03890	1.2
91.05487	16.4
93.07047	12.0
95.08612	31.8
97.10168	1.5
105.07040	15.2
107.08599	22.3
109.10161	13.1
117.07021	1.4
119.04955	31.4
119.08588	29.1
121.10145	22.6
123.11718	11.6
131.08585	4.0
133.10124	21.7
135.11703	12.4
137.13266	4.3
143.08580	3.7
145.10121	13.7
147.04419	100.0
147.11687	15.1
149.13274	8.5
151.14923	1.5
153.09103	2.2
157.10149	2.8
159.11705	11.6
161.13278	12.5
163.14813	7.4
165.05495	21.2
171.11746	2.5
173.13309	5.4
175.14825	13.7
177.09116	2.6
177.16377	16.9
185.13310	1.4
187.14854	4.4
189.16386	25.8
191.17969	4.9
199.14923	2.7
201.16402	18.2
203.17961	32.8
205.15903	7.0
205.19518	1.8
207.17442	4.4
213.16432	5.4
215.17924	18.4
215.19595	1.6
217.19452	2.7
227.17874	1.5
229.19475	2.3
233.15431	1.6
235.16965	3.9
241.19579	2.9
243.21169	2.8
247.17004	9.8
247.70836	1.3
249.18542	1.7
253.19566	2.2
255.20996	2.0
261.18500	14.1
267.21115	1.6
295.24222	2.0
368.73688	1.4
391.33420	7.7
394.28568	2.2
401.01266	1.4
409.34698	10.3
411.32425	9.3
427.35675	1.5
431.44214	1.2
431.89847	1.6
437.34216	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.7
57.07074	1.6
61.32173	0.6
65.03934	1.5
65.78184	0.7
67.05504	4.7
69.07074	4.7
69.56335	4.1
79.05516	3.4
81.07058	12.3
83.08622	6.0
91.05480	12.2
93.07048	10.4
95.04948	1.1
95.08610	24.4
97.10152	1.2
98.21690	0.7
105.07035	12.9
107.08598	18.5
109.10153	9.8
117.07030	1.7
119.04952	22.0
119.08587	25.6
121.09322	1.1
121.10150	16.3
123.04508	0.9
123.11724	9.9
131.08540	5.4
133.10144	16.1
135.11705	10.5
137.13235	2.2
143.08565	3.3
144.09401	1.0
145.10138	9.5
147.04414	100.0
147.11687	13.4
149.13268	7.2
153.09117	1.5
157.10141	2.6
159.11720	9.3
161.13263	8.2
163.07542	1.1
163.14845	4.4
165.05492	27.7
165.12802	1.2
171.11726	2.7
173.13297	4.5
175.14818	11.5
177.09145	1.5
177.16405	11.4
183.11765	1.4
185.13339	1.6
187.14767	4.4
189.16393	17.6
191.17950	4.9
197.13283	1.1
199.14871	2.1
201.16376	12.1
203.17967	24.2
205.15854	4.2
205.19525	1.6
207.17464	2.6
211.14983	0.9
213.16426	4.1
215.17963	17.7
217.19557	2.3
219.17499	1.1
225.16379	0.8
227.18008	1.3
229.19505	1.6
235.16946	3.0
241.19566	2.4
243.21033	1.7
247.16931	5.8
249.18492	1.6
253.19543	2.1
255.21117	2.4
257.22742	0.8
261.18546	11.9
267.21127	1.6
268.23416	0.8
269.22583	1.2
281.22641	0.9
289.21710	1.0
295.24039	1.3
299.20013	0.9
315.23285	1.3
391.33490	6.5
394.28601	1.4
409.34540	6.7
411.32510	7.6
437.34158	29.7
438.34357	1.1
455.35284	1.4
539.91388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3996
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
52.23820	1.1
55.05510	5.3
57.07075	3.0
65.03954	1.0
67.05512	5.9
69.07071	7.5
69.61433	3.7
69.61844	3.0
79.05507	6.0
81.07062	15.4
83.08630	9.1
91.05483	20.5
93.07056	14.4
95.08619	30.2
97.10194	2.2
98.20751	2.0
105.07030	18.7
107.08601	24.7
109.10162	15.7
113.51649	1.2
117.07019	2.3
119.04955	27.5
119.08588	33.7
121.10155	23.0
121.11032	1.6
123.11715	9.5
129.45737	1.2
131.08597	6.2
133.10147	22.4
135.11700	17.6
137.13297	3.5
143.08578	3.0
145.10133	13.1
147.04422	100.0
147.11691	18.5
149.13266	11.0
151.14792	2.1
153.09093	2.1
157.10109	2.7
158.10857	1.4
159.11725	12.5
160.12495	1.3
161.03438	1.0
161.13275	14.4
163.14845	10.8
165.05493	20.9
169.10086	1.2
171.11745	2.2
172.13460	1.1
173.13261	6.1
175.14827	17.0
177.16406	15.9
185.13358	1.4
187.14801	9.0
189.16382	30.6
191.17982	7.7
193.15863	1.2
199.14893	3.5
201.16388	30.9
203.17960	40.6
205.15933	3.6
205.19580	1.6
207.13988	1.5
207.17445	7.8
213.16379	8.7
215.17949	16.5
217.15918	1.4
217.19540	3.9
219.17525	2.2
227.17953	2.3
229.19611	3.0
235.16989	3.0
239.18083	1.1
241.19482	5.0
243.21118	4.2
247.16985	4.3
249.18460	2.3
255.21312	1.5
257.22736	1.3
259.17017	2.9
261.18527	7.4
267.21039	1.3
269.22781	1.3
283.02887	1.2
315.23035	1.7
329.24353	1.2
348.44235	1.1
391.33630	8.5
409.34683	17.0
411.32578	9.3
423.67093	1.2
429.94989	1.1
437.34177	39.9
447.79065	1.1
619.42407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86677	0.7
55.05511	3.0
57.07059	2.3
57.55209	0.8
65.03932	1.8
67.05501	5.6
69.07075	7.4
69.52613	5.5
79.05490	4.8
81.07066	11.0
83.08630	5.5
91.04952	1.4
91.05482	13.8
92.22057	0.8
93.07058	8.1
95.08614	22.9
97.10177	1.5
103.86612	0.7
105.07036	13.0
107.08605	18.3
109.10175	9.9
117.06948	0.9
119.04955	25.1
119.08588	22.6
121.10144	16.7
123.11720	7.3
129.07040	1.2
131.08585	4.9
131.09370	0.8
133.10144	17.9
135.11707	11.4
137.13286	1.4
143.08571	3.1
145.10139	9.5
147.04420	100.0
147.11696	13.8
149.13263	7.5
151.14825	1.6
153.09171	1.3
157.10150	2.6
158.10928	1.6
159.11708	10.3
160.12514	1.1
161.13281	8.7
163.14799	6.3
165.05498	33.0
165.12729	0.9
169.10138	0.9
173.13297	5.7
175.14845	14.1
177.16397	13.4
179.05899	0.9
183.11688	0.9
185.13309	1.2
187.14812	4.7
189.16389	24.8
191.17976	4.4
199.14824	2.4
201.16386	21.3
201.31364	0.8
203.17970	30.1
205.15932	1.0
207.17525	4.2
211.14902	1.0
213.16418	8.3
215.17982	17.8
217.19543	3.1
219.17363	1.1
225.16287	0.9
227.17851	1.2
229.19492	3.3
235.16931	1.8
239.17987	0.9
241.19521	2.5
243.21075	2.2
247.16966	4.1
249.18524	2.9
253.19698	1.9
255.21043	2.1
259.16928	1.9
261.18503	6.6
267.20981	1.0
269.22766	1.6
285.18402	1.1
287.20163	1.5
299.20078	0.9
301.21756	1.7
313.21597	1.2
315.23251	1.2
355.26587	1.0
365.32010	1.0
381.27832	1.5
391.33615	9.2
394.28644	1.1
409.34644	12.2
411.32510	7.2
427.35785	1.2
437.34198	33.6
591.73206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4209
Annotation	Momordicoside F2
Peak:m/z	Relative Intensity
55.05497	3.0
57.07074	1.0
67.05510	4.5
69.03419	3.1
69.07068	3.6
69.78565	0.6
71.04966	0.8
71.58765	1.2
71.59148	1.2
79.05481	3.4
81.03415	1.2
81.07069	11.5
83.04967	1.2
83.08619	1.4
85.02911	4.3
91.05473	3.6
93.07053	7.4
95.04990	1.0
95.08051	1.1
95.08617	16.3
97.02888	2.4
97.06504	0.9
105.07032	7.9
107.05007	0.7
107.08612	12.5
109.10160	9.1
111.04422	1.4
117.07035	1.1
117.94949	0.7
119.04922	0.7
119.08589	9.8
121.06482	1.5
121.10149	10.4
123.08146	1.0
123.11725	5.7
125.09707	0.9
129.05475	1.1
131.08554	2.9
133.10146	7.3
135.08069	2.8
135.11684	8.1
137.06000	1.6
137.09656	0.8
137.13290	0.9
143.08548	1.9
145.02914	0.9
145.10159	5.1
147.04414	1.7
147.11703	4.8
149.09596	1.5
149.13293	7.6
151.14891	1.1
155.08446	0.7
157.10114	2.9
159.11713	4.0
161.09607	2.0
161.12135	0.8
161.13197	4.2
163.03896	0.8
163.14839	3.3
169.10083	0.9
171.11723	2.1
173.13268	3.4
175.14836	3.9
177.05461	1.3
177.16443	3.7
183.11697	1.6
185.13281	2.1
187.11243	0.9
187.14836	3.2
189.12692	1.4
189.16408	4.5
191.17940	2.3
199.14857	1.6
201.11209	1.4
201.12857	1.0
201.16385	3.8
203.14503	0.9
203.17966	3.2
213.16342	1.5
215.14296	1.5
215.18007	2.9
217.15895	2.1
219.17442	1.9
221.18983	0.8
227.18016	1.2
229.19528	1.0
241.19579	1.6
253.19710	1.2
255.21251	0.9
257.18979	1.1
259.20593	1.2
265.19421	0.8
267.20941	1.7
268.66791	0.8
285.21942	3.8
332.54031	0.8
391.33594	2.2
403.33643	2.2
409.34570	4.1
421.34683	9.1
427.35944	1.3
439.35748	100.0
440.35916	1.4
457.36877	11.0
619.41779	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	619.4211
Annotation	Momordicoside F2
Peak:m/z	Relative Intensity
55.05519	2.5
57.03424	0.8
57.07065	0.8
61.02926	0.6
65.03960	0.4
67.05510	3.0
69.03423	3.1
69.07069	4.6
71.05000	0.5
71.59084	0.7
79.05493	2.4
81.03420	0.9
81.06582	0.5
81.07060	8.1
83.04987	0.8
83.08608	1.2
85.02915	4.6
87.04483	0.4
91.05477	3.1
93.07045	5.9
95.04975	1.0
95.08614	13.5
97.02889	3.1
97.06543	0.7
97.10162	1.1
105.07039	6.8
107.04958	0.6
107.08605	11.3
109.02886	0.9
109.06499	0.9
109.10167	7.2
111.11707	0.9
117.06995	0.7
118.06567	0.6
119.04924	0.8
119.08588	7.3
121.06541	2.3
121.10148	9.1
123.08057	1.7
123.11696	3.5
125.09545	0.5
127.03888	1.2
129.06952	0.4
131.08586	2.5
133.06613	0.4
133.10136	5.9
135.08070	1.3
135.11697	6.0
137.05997	1.2
137.09631	0.8
137.13246	1.1
143.08572	1.6
145.02835	0.6
145.04962	0.5
145.10150	4.3
146.06021	1.1
147.04373	0.7
147.07983	0.6
147.11702	4.6
149.09624	1.6
149.13269	6.4
151.14882	0.6
155.08592	0.9
157.10114	2.0
159.11716	2.9
161.09624	1.6
161.13278	2.4
163.03918	1.0
163.11180	0.6
163.14827	2.2
165.09122	1.7
169.10130	1.4
171.11676	2.0
171.94824	0.4
172.12291	0.4
173.09644	0.5
173.13229	2.8
175.11191	1.7
175.14854	3.5
177.05478	1.1
177.16400	4.6
180.06549	0.6
183.11703	1.4
185.13275	1.3
187.11177	0.7
187.14853	3.1
188.07175	0.8
189.12782	0.7
189.16379	4.3
191.14388	0.4
191.17935	2.4
193.04971	0.6
197.13269	1.1
199.14876	1.4
201.12776	0.9
201.16438	2.9
203.14377	0.7
203.17966	3.3
205.15926	0.6
207.17429	0.8
211.14766	0.6
213.16396	1.2
215.14410	0.6
215.17932	1.4
217.15933	3.5
219.17502	3.0
221.19041	0.5
223.14766	0.5
225.16476	0.5
227.17943	1.3
229.15918	1.0
229.19409	0.8
231.17389	1.2
233.18883	0.4
235.16939	0.7
237.16254	0.6
239.17877	0.8
241.19566	1.1
245.18895	0.5
249.18562	0.9
253.19884	0.9
255.20998	0.5
267.21085	1.2
273.22263	0.4
279.21307	0.8
281.22534	0.5
283.20483	0.6
285.22043	2.2
293.22632	0.7
307.23956	0.4
311.23767	0.8
313.25256	0.5
325.10684	0.8
325.25012	0.6
343.26382	0.7
357.28128	0.5
378.28955	0.4
391.33643	0.4
403.33591	1.7
409.34650	2.2
420.50311	0.4
421.34778	7.0
423.17621	0.6
426.78708	0.4
430.12247	0.7
432.16360	1.0
439.35745	100.0
440.36038	1.5
457.36792	10.8
485.66107	0.5
619.32343	0.4
619.42633	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.9
55.05529	0.7
65.64374	0.7
65.71610	0.7
67.05534	1.2
69.03432	0.7
69.64865	4.5
71.05026	2.0
81.07089	1.8
84.04542	2.1
84.08171	1.8
85.02935	1.8
91.05489	6.3
93.07081	2.9
95.04968	6.0
95.08617	1.0
97.02924	0.9
98.20680	1.4
98.82559	0.7
103.05474	1.8
105.07047	0.9
107.05000	2.6
118.06601	1.0
119.04951	12.7
121.06510	10.7
123.04444	16.6
135.06895	0.7
143.04689	12.7
146.06070	1.0
147.04434	7.5
148.03897	0.8
163.03992	1.6
164.07050	4.1
165.05492	4.3
166.05016	0.9
180.06544	3.4
190.05074	2.2
194.08163	7.3
203.05632	1.2
208.44737	0.7
218.07991	1.7
218.11716	1.6
222.09222	4.5
224.10670	1.2
232.09802	1.0
250.08684	2.1
254.10178	15.8
276.08340	5.7
282.11252	44.3
283.11954	0.8
284.12866	0.8
290.10056	2.1
304.09528	4.3
314.13873	10.3
318.03918	0.9
324.12112	1.9
334.08948	8.2
339.68057	0.8
354.12903	0.8
364.11478	4.1
382.12555	0.9
396.14200	100.0
397.14346	1.7
414.15268	10.3
418.14993	4.4
438.14944	0.9
439.18564	1.7
440.13071	24.5
440.18710	6.3
462.18961	1.5
484.17221	3.3
524.30023	0.9
544.19348	1.5
546.23236	1.6
576.21967	5.6
620.20770	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50827	0.8
51.88826	0.7
53.03948	6.0
55.01859	2.5
55.75344	0.9
56.80289	0.8
56.96560	1.3
57.03429	0.9
61.02921	5.3
65.03930	1.6
65.64147	0.8
67.05509	3.9
69.03418	4.9
69.60157	5.2
70.06583	1.3
70.84473	0.7
71.04993	1.2
71.43908	0.7
73.02910	1.0
81.03420	1.8
83.74814	0.8
84.08144	1.5
85.02895	6.4
85.06548	5.6
89.03915	1.2
91.05478	5.4
93.07030	1.2
94.04166	1.1
95.04969	44.8
97.02910	4.7
98.97597	3.6
103.05463	16.9
104.55249	0.9
105.04533	3.8
107.04976	4.2
108.01336	0.8
108.02052	1.2
109.06500	2.1
112.01086	0.8
115.03114	1.0
116.98621	1.4
117.03431	0.8
118.63689	0.8
119.04921	6.2
119.37747	0.8
120.08105	1.0
121.06523	2.3
122.03634	2.9
123.04432	67.2
125.02378	1.7
127.03901	4.0
127.07605	1.2
131.04929	43.7
133.02852	2.2
133.06432	1.1
134.03658	1.1
135.04419	2.3
137.05980	48.8
139.03937	1.0
139.07594	1.8
140.04683	18.3
145.02840	1.4
145.04968	2.5
145.06503	0.8
147.04395	7.8
149.05991	4.9
151.03876	2.5
151.07549	6.3
155.07034	37.3
158.99724	1.1
161.05954	2.0
162.06709	1.2
163.03886	6.9
163.07547	70.7
165.05489	3.4
166.06271	1.6
167.05640	1.6
167.07051	28.3
169.04895	1.3
173.06099	1.1
175.07588	1.7
177.05478	9.0
177.09077	1.3
179.07027	18.1
181.08614	1.1
183.06532	100.0
191.07066	2.7
193.08635	1.1
195.06490	9.1
197.08037	1.1
203.07068	1.2
205.08643	1.3
207.06514	3.2
209.08105	7.6
221.08098	2.1
225.07565	10.0
227.09146	12.0
233.08122	1.7
237.02911	1.3
239.09134	1.4
241.10709	1.5
243.08673	8.9
244.06441	0.9
249.21304	0.8
251.09218	1.1
275.09161	1.8
277.58218	0.9
291.04645	0.9
298.09875	1.1
305.10315	1.3
315.12079	1.8
327.12488	1.1
327.40839	0.9
329.13681	1.4
334.42126	1.0
341.12015	5.3
357.13303	3.1
359.14838	7.4
373.12775	11.4
387.14282	1.1
405.15451	5.7
407.33511	1.0
577.18976	1.1
621.17963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85965	1.8
53.03946	4.6
55.01863	8.7
55.05521	10.5
57.03441	12.3
61.02929	2.9
67.05508	39.0
68.05841	5.0
69.03439	32.1
69.07071	9.4
70.88339	2.8
70.88647	2.0
71.04983	4.6
73.02924	3.5
79.05499	25.9
80.05830	2.0
81.03428	14.0
81.07063	35.8
82.07403	3.3
83.04990	4.6
83.08631	5.3
84.57759	1.7
85.02911	45.7
91.05492	19.2
93.07053	30.5
94.07366	2.4
95.04960	4.4
95.08617	27.6
96.08943	4.1
97.02894	16.4
97.06559	3.9
99.04446	7.1
99.41486	1.9
101.02404	4.1
103.03958	2.7
105.07035	19.2
107.08597	17.1
109.02881	5.4
109.06541	4.7
109.10151	14.3
111.04483	3.7
115.03930	2.9
117.07024	10.2
119.08597	14.0
120.96650	9.0
121.06499	5.2
121.10133	14.7
123.11716	7.4
127.03908	27.2
129.07001	5.5
131.08582	11.0
133.10138	12.0
135.08008	2.0
135.11708	6.8
143.08629	5.0
145.04961	12.5
145.10120	10.9
147.11699	6.8
149.09636	2.7
149.13275	3.5
151.07747	2.1
155.08514	2.2
156.97574	2.8
157.06543	2.3
157.10178	4.1
157.97498	2.4
159.08112	1.8
159.11734	8.3
161.13293	4.3
163.06039	3.5
163.14761	2.4
169.10104	2.6
171.11700	4.5
172.95317	3.9
173.13281	7.7
180.08702	3.8
183.11723	3.3
185.09608	1.9
185.13318	4.0
187.05774	5.4
187.14880	2.7
188.06210	2.8
189.16420	2.1
198.98553	3.8
201.12697	2.1
205.06856	12.0
206.07115	3.8
211.14682	2.5
213.00215	5.1
214.00256	4.4
243.17464	2.2
259.20547	4.8
261.22232	5.4
267.02426	6.6
273.22040	2.5
277.21884	2.6
279.23276	3.0
285.03488	100.0
286.03885	29.4
291.23196	3.2
295.15570	2.4
301.21649	3.9
303.23196	8.0
315.23270	5.0
319.22668	2.5
327.23315	2.7
335.26013	4.1
336.26346	9.4
341.24789	6.1
345.24405	2.4
351.23157	6.7
369.24271	16.5
387.25381	20.8
405.26288	21.4
423.27585	6.5
474.21564	2.5
602.27271	2.2
620.28882	36.0
620.38745	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	620.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	9.7
53.95743	1.3
55.01624	1.9
55.01872	19.7
55.05521	10.5
56.96561	1.6
57.03443	2.7
57.07080	2.6
57.99342	1.4
61.02907	1.6
65.03936	2.5
67.05176	2.7
67.05512	50.8
69.03082	2.0
69.03438	34.6
69.07069	8.1
71.00437	2.7
71.00758	1.5
71.05002	15.9
73.02927	9.4
79.05504	34.1
81.03422	39.4
81.07063	49.1
82.95486	1.4
83.04973	3.0
83.08179	1.5
83.08622	5.6
85.02908	19.9
87.04431	1.5
87.97374	1.4
91.05477	16.5
93.07050	38.2
95.04944	2.6
95.08613	43.6
97.02903	38.9
97.06510	2.9
97.10178	2.1
99.04462	67.8
101.02383	5.7
105.07037	12.8
107.08604	21.0
109.02888	40.8
109.06493	2.5
109.10158	22.7
111.04458	9.2
111.08076	2.2
115.03946	1.8
117.07011	5.9
119.08582	12.8
121.06499	1.5
121.10161	20.6
123.08076	1.9
123.11694	10.2
125.09612	1.8
127.03925	100.0
129.05511	3.4
129.06993	1.9
131.04901	1.5
131.08560	11.4
133.10126	11.9
135.08067	1.7
135.11720	14.6
137.13290	4.3
143.08539	2.2
145.04984	16.8
145.10172	9.4
147.04402	1.7
147.11687	6.4
149.09549	1.7
149.13277	8.8
151.14911	2.0
159.11711	6.1
161.13321	7.0
163.14809	4.0
171.11668	2.4
173.13251	7.4
175.14839	3.2
184.79384	1.5
187.14841	4.3
199.14871	2.0
215.14450	1.9
231.20937	1.4
241.19408	2.4
243.21196	7.4
259.20502	8.1
261.22159	22.0
277.21585	9.3
279.23190	5.6
315.23254	2.7
351.23126	2.2
353.27005	1.8
357.24057	3.9
369.24399	9.2
370.71896	1.6
387.25290	5.9
394.29550	3.1
405.26593	10.6
423.27435	54.8
428.29807	1.5
620.22864	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	620.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01874	0.4
55.05512	3.8
57.03432	0.8
57.07079	2.5
64.48438	0.4
67.05516	4.3
68.63011	0.5
69.03423	1.7
69.06731	0.7
69.07077	8.3
70.06571	0.6
71.04985	2.1
71.08626	1.0
71.58927	0.6
71.59304	0.4
79.05500	2.5
81.07061	16.2
83.04971	1.1
83.08624	8.1
85.02902	1.6
85.06543	1.0
91.05479	2.9
93.07049	9.2
95.04961	1.6
95.08613	12.5
97.02898	2.1
97.06512	1.9
97.10165	1.5
99.04459	5.7
99.08059	0.7
101.06013	0.5
105.01882	0.4
105.07030	5.3
107.08598	10.5
109.02876	0.5
109.06537	4.1
109.09460	0.7
109.10164	9.8
110.46553	0.4
111.08089	2.6
111.11716	0.6
117.05500	0.8
119.04908	0.4
119.08595	3.8
121.06530	0.8
121.10153	4.8
123.08084	3.3
123.11710	4.1
125.13338	0.4
127.03921	0.6
127.07568	3.8
131.08611	0.8
133.09140	0.5
133.10126	8.5
135.08051	0.6
135.11696	6.0
137.05977	1.0
137.09596	0.9
137.13257	1.4
143.08505	0.9
145.10129	1.5
147.04430	0.7
147.08070	0.4
147.11707	4.5
149.09589	0.9
149.13280	5.4
151.11191	20.9
151.14795	0.6
153.09196	0.6
153.12791	0.7
157.10118	1.0
159.11688	1.2
161.09615	0.5
161.13284	1.6
162.04298	0.5
163.11195	1.8
163.14861	1.1
165.09041	0.7
165.12753	0.6
165.16379	0.4
167.10646	0.5
167.14272	1.9
169.12305	0.7
171.11697	1.3
173.13286	0.9
175.11176	1.0
175.14867	1.0
177.05490	0.7
177.12750	1.2
177.16409	1.0
179.10617	3.0
180.06676	0.9
181.12245	1.2
187.14845	0.6
189.12753	2.1
189.16331	0.5
191.17963	0.9
193.12244	1.3
195.13829	0.7
199.14870	0.6
203.17943	1.4
205.19455	0.7
207.13809	3.9
209.19110	0.7
213.16319	0.6
235.16901	0.4
249.13091	0.4
259.24210	1.0
263.20016	0.8
283.24179	1.8
291.26904	0.9
301.25247	1.8
319.26318	11.9
334.24911	0.4
337.27377	100.0
338.27725	0.8
423.17694	0.7
424.18109	1.4
467.08582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.4
55.05507	27.1
57.03418	7.9
60.68153	6.8
64.46818	6.7
67.05224	7.3
67.05518	67.0
68.78842	7.4
68.89617	7.1
69.07056	19.6
71.57963	8.4
79.05501	72.3
81.07070	75.3
83.04971	12.1
83.08588	13.8
86.17329	7.1
91.05488	93.7
93.07040	93.9
95.04978	19.5
95.08618	53.6
97.06517	7.8
103.05497	6.9
105.07046	100.0
107.04946	10.3
107.08584	53.8
109.06602	9.7
109.10162	12.7
117.07027	21.8
119.04980	14.2
119.08609	81.4
121.06394	7.6
121.10143	25.1
123.36105	6.9
125.09669	8.5
128.06206	6.6
129.07004	19.4
131.08580	23.2
133.10146	47.8
135.11700	17.6
143.08585	13.4
145.10109	40.4
147.04419	46.8
147.11676	66.9
149.13255	18.3
157.10132	9.7
159.11713	21.9
161.09587	7.2
161.13269	34.5
163.14784	10.2
165.05478	16.7
166.05840	12.8
171.11720	37.4
173.13315	17.5
175.14853	21.9
185.13260	9.2
189.12750	14.1
206.87790	7.1
207.13799	31.5
231.21085	15.1
241.19583	40.4
251.70854	7.3
259.20578	92.0
275.20081	15.1
279.15900	28.8
281.17529	88.5
333.24216	55.9
447.32706	9.1
539.37213	81.5
557.38129	24.9
620.43439	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	621.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07039	0.6
52.28673	0.5
68.51584	0.5
70.59972	1.7
76.69831	0.5
91.05492	2.1
96.16653	0.5
118.06558	1.5
118.51625	0.6
119.04967	1.2
137.05989	4.7
146.06038	2.4
153.56734	0.6
159.04237	1.1
188.07156	1.7
194.08183	0.7
231.02693	1.1
238.07111	1.1
291.04742	2.5
323.07498	2.3
385.09009	1.0
399.10568	0.8
413.92303	0.6
427.09900	8.3
434.14484	1.6
443.13223	0.7
459.12668	44.3
621.17902	100.0
622.18481	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84914	0.3
70.06603	0.4
70.27778	1.0
72.08145	0.5
81.03172	0.3
83.01093	1.2
84.01881	0.4
85.02889	0.4
91.05460	0.5
95.01096	2.7
96.01861	1.1
96.77590	0.3
98.20809	0.3
105.07047	0.3
111.00613	0.3
112.01350	0.9
113.02120	2.5
114.10278	1.4
126.02918	0.4
133.06508	0.5
136.07619	0.4
137.05971	0.5
138.04111	0.2
139.03642	0.3
141.05270	0.4
147.98506	0.3
157.04730	0.9
161.06015	1.0
163.03938	0.7
164.07071	0.5
165.05576	0.3
167.03189	0.7
169.04767	0.3
184.05006	0.6
185.04219	4.8
185.05769	0.3
201.03760	1.1
203.05342	0.7
205.04823	0.3
215.06795	0.8
217.04729	1.7
219.06393	0.5
228.07579	0.4
231.06413	0.4
231.36569	0.3
232.07083	11.4
233.07823	2.3
251.08949	0.5
253.48338	0.4
395.13217	1.1
407.13138	1.1
411.12692	1.7
591.20624	0.5
621.21552	100.0
622.21399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.0
55.05512	8.9
57.03446	22.7
57.07085	20.6
64.11237	2.8
65.03926	4.5
66.70042	3.1
67.05172	4.1
67.05509	46.1
69.07073	12.1
71.08659	15.5
71.57867	4.0
73.06576	3.8
79.05502	21.9
81.07067	34.6
83.08618	7.3
85.06553	11.6
85.10191	5.8
91.05498	20.8
93.07052	20.0
95.04985	53.1
95.08618	26.4
97.06535	6.4
97.10152	5.6
105.07037	18.6
107.04984	12.2
107.08589	16.1
109.06530	64.0
109.10155	4.6
113.06012	29.4
117.07033	10.3
119.08585	9.1
121.06531	5.0
121.10175	6.4
123.11782	4.5
129.07018	7.4
131.08588	13.7
133.10196	5.4
135.08070	51.6
135.11668	7.6
143.08525	6.1
145.10161	10.6
147.08066	6.6
149.09647	5.9
157.10167	4.6
159.11751	6.7
160.97827	3.3
161.09691	6.5
171.11682	3.5
173.13231	3.7
177.12704	3.0
199.14774	4.1
201.12878	3.4
217.15927	12.4
273.18546	35.3
291.19571	100.0
291.22845	4.9
309.20557	3.6
313.27386	51.9
347.22311	7.7
365.23282	14.4
585.45209	8.7
603.46271	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03950	2.4
53.12906	0.3
55.01848	0.3
57.03438	0.6
61.02930	0.4
63.41655	0.3
65.03957	0.5
66.24311	0.3
69.03439	1.4
70.06581	0.4
70.79142	0.6
71.04991	1.6
71.69141	0.3
73.02933	0.4
79.05480	0.3
81.03410	0.7
85.02911	3.8
87.04473	22.9
91.05488	7.9
92.05015	0.3
93.07050	10.2
95.04987	2.0
97.02884	1.0
98.21286	0.3
103.05474	8.0
105.04516	0.8
110.06072	0.3
116.04959	0.5
117.05771	1.8
118.06560	1.8
119.04947	0.9
120.04478	0.3
120.23443	0.3
121.06512	63.9
122.06036	0.8
122.06844	0.6
127.03897	0.4
131.04875	0.4
132.08109	0.6
134.06058	0.4
144.04445	6.2
146.06013	6.8
147.04405	4.4
150.05536	1.0
154.58548	0.3
162.05490	2.8
163.03917	0.9
163.07521	0.4
164.07104	0.4
168.06572	4.1
172.03934	3.0
176.07071	9.6
178.08647	21.5
190.04977	2.2
204.06557	7.9
210.11189	0.7
222.07623	6.1
222.11145	0.3
236.09283	0.9
248.09273	1.2
252.93289	0.3
254.10326	0.4
262.10751	5.2
264.12308	6.4
266.10187	0.5
272.33371	0.3
276.08575	1.4
290.10272	6.7
296.14941	1.1
308.11298	27.9
322.12756	2.8
340.13962	1.0
460.19766	2.7
476.15839	0.4
541.80249	0.4
590.22272	3.5
622.24969	100.0
623.24982	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	10.7
57.03432	9.0
59.60106	4.4
61.02919	10.9
65.03901	5.9
67.05506	32.4
69.03088	7.9
69.03432	100.0
71.04964	7.6
71.58506	4.6
74.61691	4.8
79.05486	23.1
79.48616	4.6
79.85036	4.5
81.03396	8.5
81.07063	35.7
83.04966	29.2
83.08591	5.0
85.02917	23.4
87.04496	5.3
91.05462	12.2
93.07041	23.8
95.08611	30.0
96.84253	4.9
99.04434	21.5
105.07014	11.1
107.08565	18.7
109.10155	19.8
111.04420	17.0
119.08604	9.9
121.10118	14.6
123.11724	10.4
127.03935	5.6
129.05489	61.9
131.08533	8.6
133.10129	13.2
135.11664	10.7
145.10144	8.5
147.04356	4.6
147.06488	27.5
147.11664	9.4
149.13310	9.1
159.11691	9.6
163.14796	10.8
165.07585	20.6
173.13205	7.4
177.16374	5.4
178.13983	4.6
181.84413	4.7
187.14806	5.4
220.18257	4.5
243.21179	16.3
261.22177	51.1
263.23816	6.7
279.23196	17.5
407.23038	7.2
407.27927	74.1
425.28824	19.9
518.85669	5.4
569.69617	5.7
622.27240	10.4
622.36987	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	622.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.5
50.05183	1.4
51.02377	1.8
53.03951	7.9
55.01867	6.4
55.05266	3.1
55.05514	40.0
57.03429	4.1
57.07073	3.2
65.03933	6.8
66.04740	1.9
67.05508	81.5
69.03424	2.5
69.07071	28.3
71.05002	10.3
71.49116	2.9
77.03921	2.7
79.05499	94.3
81.03429	1.8
81.07062	88.9
82.07376	2.3
83.04972	10.4
83.08624	20.7
85.06541	8.4
88.55286	1.6
91.05486	100.0
92.05804	2.7
93.07047	75.9
94.07396	2.6
95.04979	9.4
95.08612	47.5
95.09232	2.6
96.08939	3.6
97.05980	1.7
97.06513	9.5
97.10169	21.9
99.08095	15.6
103.05440	2.4
105.04520	3.3
105.07037	70.5
106.07386	2.6
107.04960	4.1
107.08599	73.2
108.08944	4.4
109.06528	5.6
109.10156	22.7
110.10500	2.8
111.08060	4.8
115.05415	2.8
116.06231	1.7
117.07021	20.8
119.04974	8.3
119.07793	3.1
119.08589	47.8
120.05260	3.2
120.08933	4.8
121.05593	1.9
121.06496	2.3
121.10146	40.0
122.10471	3.5
123.08091	3.9
123.11707	8.1
124.12091	2.1
125.00013	4.3
125.09644	22.5
128.06259	2.5
129.07024	10.9
130.07874	2.3
131.08582	40.9
133.09140	1.9
133.10136	40.0
134.10471	3.5
135.08034	4.8
135.10699	1.9
135.11705	24.9
136.11981	2.7
137.09654	2.3
139.11163	5.4
141.06982	5.7
142.07816	2.5
143.08603	9.4
145.10127	29.9
146.10504	1.9
147.04405	28.3
147.08122	2.0
147.11697	25.6
148.04761	22.3
149.05006	12.2
149.09601	6.4
149.13281	11.6
150.05276	2.5
151.11116	1.8
153.09125	1.7
155.08546	4.2
157.10144	9.9
159.11705	15.4
160.12082	3.1
161.09619	2.0
161.13315	9.0
163.11195	3.9
163.14880	3.6
164.07036	4.3
164.15176	2.0
165.05559	7.8
165.12718	1.7
166.05830	7.6
167.05989	3.9
169.10095	6.4
171.10330	2.1
171.11639	8.1
172.11977	2.1
173.11787	3.9
173.13264	8.2
175.11215	2.1
175.14798	4.8
176.15198	2.6
177.12755	2.4
177.16382	4.3
181.12241	2.9
183.11702	5.3
184.07376	1.9
185.13278	6.0
187.13287	2.0
187.14851	5.4
189.11272	12.1
189.12766	2.6
189.16391	4.9
190.08656	10.1
190.16747	5.3
191.17014	3.0
193.15909	1.9
195.13759	5.0
197.13257	4.8
199.14848	5.0
201.16386	5.3
202.16708	3.9
203.12770	2.7
203.17923	5.5
204.18336	8.9
205.18640	3.0
206.16295	1.6
207.13733	2.0
208.09685	4.5
211.14832	2.1
213.16476	2.1
215.17838	3.0
216.18315	5.5
221.15414	2.1
223.16917	2.2
239.17876	7.3
241.19521	3.3
247.16913	1.6
248.17244	3.6
257.18951	13.6
259.20648	9.7
261.18573	2.4
262.18842	2.6
263.19629	1.8
275.20084	71.9
276.20105	1.8
277.21661	22.9
285.83249	1.6
288.06277	11.4
293.21158	10.8
295.22748	10.1
341.57703	1.7
391.33469	1.8
412.36087	2.9
438.34424	5.4
439.35123	8.7
440.35220	9.6
515.39215	1.8
551.40479	3.3
569.41675	4.3
587.42572	1.9
605.44086	4.6
622.40948	3.0
646.50586	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45576	1.2
53.03952	7.1
55.01873	6.7
55.05257	2.7
55.05513	33.5
57.03432	2.9
57.07067	2.1
59.05004	1.4
60.08167	2.9
62.35688	1.1
64.00011	1.3
65.03941	5.5
67.05508	100.0
69.03426	4.4
69.07071	23.0
70.82800	3.2
70.83138	1.6
71.05001	12.3
79.05495	69.4
81.03428	1.7
81.07063	74.7
83.04993	19.0
83.08624	17.5
85.06563	5.0
86.09692	2.3
91.05483	68.5
93.07050	68.0
93.07536	1.2
95.04980	8.8
95.08611	46.2
97.06538	24.8
97.10178	19.4
99.08096	4.1
103.05464	2.1
104.10752	32.5
105.04496	1.9
105.07036	50.6
107.04969	3.2
107.08599	49.9
109.06512	4.8
109.10165	28.4
111.08083	3.1
115.05485	1.5
117.07024	20.2
119.08590	35.2
121.06512	4.1
121.10149	37.5
123.08062	8.0
123.11726	7.5
125.00009	4.7
125.09629	14.0
128.06210	2.7
129.07027	12.2
130.07809	1.7
131.08577	32.7
133.06462	1.7
133.10146	28.0
134.09689	1.5
135.08057	4.1
135.11707	26.1
137.09631	4.8
137.13287	1.6
138.83771	1.5
139.11209	4.5
141.07024	3.2
143.08560	12.8
144.09377	1.7
145.10136	28.5
147.11707	18.1
149.09637	4.7
149.13297	10.7
151.11203	2.9
153.12744	1.5
155.08563	5.5
157.10144	10.5
159.11703	17.5
161.13254	9.6
163.11209	4.4
164.07060	1.8
165.12706	2.7
167.08411	1.5
169.10158	4.8
171.11708	12.6
171.13052	2.1
173.11768	3.5
173.13272	12.1
175.14862	4.1
177.12772	4.6
180.95755	3.3
181.12180	1.4
183.11700	6.1
184.07387	1.5
185.13303	4.5
187.14775	2.2
189.11253	9.0
189.12781	2.9
190.08640	12.0
191.14375	1.5
195.13913	1.9
197.13330	5.1
198.96823	8.1
199.11360	1.6
199.14861	4.0
209.13370	3.2
211.14838	2.6
213.16476	1.9
216.97859	3.3
221.15460	1.5
228.97783	2.0
239.18021	8.3
241.19597	5.5
257.19055	13.2
258.08963	3.3
259.20624	9.9
263.20105	1.9
273.18588	2.6
275.20053	29.9
277.21625	28.1
288.03558	1.9
288.06363	11.2
293.21176	5.3
295.22693	6.3
307.20663	1.9
342.56732	1.7
415.31918	2.1
437.75494	1.5
523.41809	1.8
533.40057	3.5
551.40881	10.7
569.41980	14.4
587.42749	5.4
622.33453	3.7
622.41864	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27972	0.3
60.81900	0.3
67.05489	0.3
70.46608	0.3
71.58767	0.5
79.05495	0.6
81.07060	0.7
83.04942	0.3
89.20448	0.3
107.08553	0.4
107.96656	0.3
109.10149	0.4
119.08591	0.4
119.13431	0.3
121.10159	0.3
131.41335	0.3
144.08160	0.4
153.02838	0.3
167.31691	0.4
168.08040	0.4
168.24992	0.3
172.38788	0.3
178.92920	0.3
183.09103	0.3
186.12964	0.3
187.55289	0.4
196.09996	0.4
209.10774	0.4
221.10901	0.5
223.12244	0.4
233.10898	0.3
237.13992	0.3
247.12434	0.3
249.10149	0.4
262.35355	0.4
277.24860	0.4
326.12735	0.4
348.14130	0.3
362.16290	0.5
363.16177	0.5
375.16760	0.5
376.17139	1.0
377.17560	1.7
378.18774	0.5
384.14859	0.4
385.14890	0.6
386.15729	1.0
387.16489	0.8
389.17819	0.5
390.18896	0.6
391.19348	1.7
392.20377	1.5
393.20779	1.0
399.16595	0.9
400.17178	0.7
401.17892	2.4
402.19003	0.5
403.19516	0.7
405.16489	0.7
405.20868	1.2
407.22385	3.2
413.17862	1.2
414.18387	1.3
415.19479	3.6
416.20505	0.9
417.16772	0.7
417.21445	0.7
418.17603	0.4
419.18222	2.1
419.23242	0.7
421.20395	1.1
427.19247	1.1
428.20847	1.6
429.21759	1.9
430.21982	0.8
431.18784	1.6
432.19662	0.5
433.16214	0.9
433.20740	0.9
435.21750	2.5
441.17102	0.9
442.17703	0.7
443.18073	1.1
443.22787	1.3
444.19467	2.1
445.15204	0.6
445.20731	1.8
446.21515	1.0
447.17621	3.8
448.19153	1.3
449.19928	0.7
456.19568	0.8
457.20535	1.1
458.21072	1.2
459.17526	1.6
460.19302	0.4
461.19540	2.7
462.20218	2.0
463.20316	1.7
466.19962	0.5
471.06763	0.4
471.22501	3.9
472.18640	1.1
473.19095	3.0
474.21042	1.8
475.17426	1.8
475.21817	1.5
476.18222	0.8
477.18958	0.6
484.19193	0.7
485.20032	2.5
486.20499	2.3
487.17084	0.4
487.21713	0.5
489.22781	4.8
490.19519	3.7
491.20300	2.2
493.22528	0.5
499.21402	9.3
500.17783	1.8
501.23648	3.5
502.19952	0.8
503.20776	3.5
507.23868	1.8
508.25204	0.7
511.21497	1.0
513.19318	3.5
514.20184	0.7
516.21539	0.6
517.22467	14.5
518.22864	0.5
519.20258	1.2
521.21722	0.7
527.20917	2.2
529.22418	7.1
531.20203	2.4
535.23602	4.1
536.24298	0.9
545.21881	18.7
546.22052	0.8
555.20386	1.3
563.22791	1.8
564.23651	2.1
573.21448	7.5
577.24725	2.8
591.22357	3.5
595.25574	0.5
605.23993	37.2
606.24261	0.7
622.43048	0.4
623.25037	100.0
624.25195	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.4
67.05492	6.8
68.38501	2.3
71.58134	3.5
79.05479	5.6
81.07056	10.2
91.05473	3.6
93.07035	5.4
95.08616	5.2
101.72069	2.2
105.07018	2.7
107.08585	2.3
109.10185	3.3
117.46999	2.4
133.10135	2.5
139.48224	2.2
145.10150	2.5
233.77863	2.4
289.17661	2.3
405.20734	4.6
415.19180	4.6
429.20798	3.7
447.18045	3.3
459.22101	2.8
461.19858	6.9
476.22293	14.3
485.23459	8.6
503.24399	9.1
505.22772	2.8
515.24414	8.7
521.25562	5.8
531.24176	17.2
545.26202	3.6
549.25000	14.7
559.23425	9.4
591.26129	36.7
623.28680	100.0
623.38367	5.8
623.44617	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55261	0.4
69.57540	0.6
69.57945	2.3
71.02015	0.4
92.71091	0.5
166.13229	0.4
223.12285	0.5
237.14105	0.6
305.58685	0.4
378.18835	0.6
389.18613	0.6
390.18512	1.0
391.19165	2.2
392.19922	2.1
393.20706	1.2
400.16867	0.5
402.18716	0.6
403.19925	1.0
404.20215	0.7
405.20999	3.5
406.21585	2.8
407.22385	8.5
413.17657	0.6
414.18555	0.6
415.19272	1.9
416.20285	0.7
417.21106	0.5
419.22491	1.7
420.23090	1.6
421.23993	8.2
422.24716	1.8
427.19577	0.6
428.20117	1.0
429.20886	4.5
430.22037	0.8
433.24359	1.5
442.22003	1.0
443.22665	2.4
444.23090	1.6
445.20297	1.3
446.21088	0.6
447.17920	1.1
449.23221	0.7
455.18710	0.7
457.23950	1.4
458.25272	2.2
459.22336	2.6
460.23276	0.9
461.18997	3.8
462.20300	0.6
463.21271	1.3
469.50452	0.5
471.18027	0.5
472.22589	1.6
473.19083	0.9
475.21030	4.3
476.21729	4.0
477.22421	2.6
478.24130	0.5
484.18890	0.7
485.23541	5.2
486.20050	1.3
487.21277	0.7
488.22772	0.8
489.22839	3.2
499.21368	4.8
500.22269	1.2
502.23892	1.0
503.24789	6.4
504.21576	0.5
505.22610	0.7
507.24127	0.8
508.28342	0.8
513.22949	1.5
514.23657	0.8
515.24268	1.2
517.22772	1.9
517.25647	1.6
521.26221	0.9
529.26105	0.7
535.27240	6.7
536.27930	0.6
545.25549	24.2
546.25543	0.7
549.24805	0.5
564.27350	1.7
573.25061	7.0
577.28082	1.3
591.25800	2.1
605.27667	14.5
606.27899	0.5
623.28680	100.0
624.28717	2.0
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
53.37399	0.5
70.82760	0.5
70.83101	1.2
76.87241	0.5
100.88705	0.4
108.56918	0.5
118.12534	0.5
224.12968	0.8
245.10823	0.5
360.14932	0.6
375.16763	0.6
377.17575	1.3
378.18262	1.2
388.17847	1.0
389.18286	1.5
390.18637	1.8
391.19293	3.8
392.19977	3.0
393.20709	1.7
399.16071	0.9
400.16861	1.4
401.17706	2.0
402.18893	0.9
403.19946	0.9
404.20450	1.6
405.20813	4.4
406.21600	4.2
407.22302	15.0
412.17651	0.7
413.17566	2.2
414.18604	1.7
415.19189	6.2
416.20206	1.2
417.21066	0.6
418.21869	0.7
419.22888	2.4
420.23074	1.7
421.18475	0.9
421.23898	12.5
422.24771	3.8
427.19446	2.8
428.19940	2.8
429.15790	1.0
429.20871	12.1
430.21637	2.8
431.17905	1.1
431.23206	1.2
432.19403	0.7
433.16104	1.0
433.24176	1.4
434.25110	0.7
442.21506	1.6
443.22678	8.5
444.23657	4.8
445.19751	2.3
447.17844	1.8
448.26321	0.7
449.22562	1.0
452.22864	0.8
455.18970	1.3
456.19406	1.6
457.23856	4.4
458.25009	6.9
459.21783	9.5
460.23569	2.3
461.18878	5.3
462.20694	2.2
463.21255	1.9
470.21133	1.7
471.21732	1.8
472.22610	6.0
473.23126	2.6
474.20758	1.2
475.21060	6.4
476.21820	5.4
477.22720	3.9
484.19104	1.0
485.23502	16.5
486.20380	3.5
486.24414	2.5
487.20197	1.1
488.22095	2.2
489.22617	3.7
493.26202	0.7
497.23547	0.6
498.20322	0.8
499.21417	5.0
500.21954	2.2
502.23819	1.4
503.24429	11.3
504.24918	0.9
508.28488	1.1
513.22650	3.9
514.23792	1.7
515.24231	1.0
517.26184	9.7
519.23944	1.0
521.24933	0.6
529.25494	2.5
530.23395	0.8
531.23798	1.4
535.27106	6.4
545.25507	91.7
546.25867	1.8
549.25629	0.7
558.22699	0.8
562.25641	1.0
563.26538	0.8
564.27386	1.9
573.25018	22.4
591.26038	1.6
605.27600	81.9
606.27991	1.4
623.28656	100.0
624.28687	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.8
50.22218	0.8
51.02377	0.8
53.03948	4.2
55.01863	3.4
55.05262	1.0
55.05513	13.1
57.03442	5.5
61.02640	1.2
61.02930	20.8
65.03946	2.1
65.19347	0.8
67.05168	1.4
67.05508	26.9
69.03429	6.3
69.07069	11.3
71.04992	1.5
73.02906	6.4
77.35980	0.8
78.66079	0.8
79.05499	21.9
81.03427	4.9
81.07063	24.5
83.04957	2.7
83.08627	10.5
85.02911	18.0
85.06549	1.7
86.09726	6.5
91.03957	10.1
91.05486	37.6
93.07050	25.1
95.04966	8.0
95.08610	18.2
97.02894	10.5
97.06535	4.7
97.10163	2.3
98.21494	2.1
99.04442	1.0
99.08075	1.8
103.05468	7.9
105.04520	1.6
105.07037	26.8
105.07762	1.3
105.51672	0.9
107.04971	4.2
107.08609	10.4
109.02837	1.3
109.06521	4.9
109.10148	7.6
111.08059	3.0
115.03924	1.0
115.05456	3.0
116.06206	0.8
117.07027	21.8
119.04967	1.7
119.07796	1.0
119.08597	13.4
121.06512	43.3
121.10144	8.3
122.06815	1.7
123.08047	3.5
125.09639	2.9
125.90942	0.8
126.60020	0.8
127.03918	2.8
128.06221	5.9
129.07004	29.5
130.07832	1.5
131.04872	1.4
131.07590	1.6
131.08572	30.4
133.06509	4.8
133.10138	10.8
135.08083	3.1
135.11674	3.4
137.09630	1.6
141.06996	10.8
142.07759	3.1
143.07475	1.6
143.08571	23.9
145.04938	2.0
145.06473	6.2
145.10147	14.5
147.08018	5.3
147.11707	4.1
149.09586	4.2
149.13283	1.0
151.11176	2.0
153.06985	2.5
154.07750	2.2
155.08569	20.1
156.09251	1.2
157.06451	1.7
157.08894	1.4
157.10120	11.5
159.08073	4.0
159.11711	9.0
161.02946	1.0
161.09648	3.4
161.13242	1.4
163.11276	1.7
165.07011	3.0
166.07790	1.6
167.08559	8.6
167.93933	0.9
168.09328	1.5
169.10141	11.6
170.10910	0.9
171.08061	3.4
171.11726	8.8
173.09592	3.2
173.13257	2.6
175.11180	3.4
175.14867	0.9
177.12770	2.7
178.07793	0.9
179.05547	9.2
179.08531	4.0
181.03476	1.3
181.10159	10.8
182.10893	1.0
183.05020	2.1
183.08110	1.1
183.11707	7.6
185.09641	3.1
185.13249	5.1
187.11252	2.3
187.14818	2.9
188.11842	0.9
189.12869	1.7
191.08513	1.0
193.10078	5.2
195.05092	2.1
195.11707	9.0
197.06618	5.8
197.09583	1.9
197.13298	5.3
199.04666	1.0
199.11200	1.7
199.14812	3.2
201.12823	1.5
203.14287	1.2
205.03430	1.8
205.10143	1.8
205.12187	1.1
206.10992	0.9
207.11676	3.9
209.13289	6.3
211.08147	1.3
211.11157	2.6
211.14789	3.3
213.06032	2.0
213.12675	2.4
213.16145	1.7
215.14438	4.8
219.11783	1.7
221.03079	1.4
221.13229	7.8
223.04553	8.9
223.14873	5.8
225.12770	1.9
225.16379	2.3
227.14363	1.5
229.12297	1.0
229.14203	1.8
233.13188	1.3
235.14911	4.2
237.06010	2.3
237.12778	1.1
237.16467	1.5
239.04079	3.0
239.14320	3.0
241.05576	1.4
241.15897	1.8
243.13782	1.7
245.13237	1.1
245.15509	1.5
247.87859	0.9
249.02565	1.9
249.06065	3.1
249.16505	1.7
253.05765	1.4
253.15907	2.6
255.08969	1.4
257.15298	3.4
259.16953	1.9
263.03998	3.7
263.07562	1.9
267.17441	1.4
269.15149	1.3
271.16940	4.6
273.09821	2.0
275.03751	1.1
275.16171	1.2
281.05157	3.9
283.16910	1.3
285.09738	2.0
285.18634	1.4
289.18179	1.4
297.09576	1.2
299.06046	1.3
303.19641	1.1
305.22397	1.4
307.08191	1.2
315.10718	8.9
315.20923	1.6
323.23770	5.5
325.09137	3.4
333.22183	12.4
341.08838	1.1
341.24811	5.3
351.23199	35.9
357.11514	1.9
369.24249	26.7
383.09763	21.2
384.10046	1.2
387.25342	13.4
387.72052	0.8
389.24896	1.9
401.10898	14.0
415.28357	2.9
424.12643	1.8
425.26831	8.2
432.23364	0.9
433.29459	1.5
443.27963	100.0
444.28424	1.6
450.24854	1.9
457.09845	2.0
459.11292	1.0
461.29013	65.4
468.25757	2.2
503.10205	12.0
521.11340	1.7
570.81030	1.0
587.31165	0.9
605.32562	1.4
623.15503	2.7
623.34186	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97671	1.4
53.03946	6.0
55.01877	4.2
55.05512	13.7
57.03436	10.4
65.03951	4.7
67.05512	53.4
68.05864	1.5
69.07069	10.0
71.04994	1.6
78.24065	1.5
79.05502	27.4
79.05949	1.4
81.03429	3.0
81.07064	35.7
83.04988	4.2
83.08640	6.2
83.67168	1.3
85.06561	4.8
91.05489	37.7
93.07056	26.0
93.07623	2.1
95.01363	1.8
95.04978	42.8
95.08620	23.1
97.06538	6.6
103.05477	1.6
105.07044	27.2
107.04981	9.6
107.08598	15.4
109.06528	26.3
109.10150	6.9
109.36026	1.5
111.08117	2.6
113.06007	12.3
117.07034	14.7
117.21105	1.3
119.08594	20.2
121.06555	5.3
121.10157	6.6
123.04483	1.6
123.08115	5.2
125.09697	2.0
128.06270	2.9
129.07039	9.7
131.08586	23.2
133.06573	3.9
133.10156	13.8
133.10938	1.3
135.08072	11.8
135.11697	7.1
141.07051	5.6
142.07910	1.5
143.08566	11.0
145.06566	2.4
145.10143	17.3
147.08110	4.5
147.11693	8.1
149.09642	3.2
149.13326	3.4
153.07079	1.4
155.08624	5.1
157.10162	9.2
159.08168	2.1
159.11716	12.1
161.09659	4.4
161.13336	5.0
163.11272	3.1
167.08655	2.8
168.09334	1.7
169.10211	5.8
171.11772	5.0
173.09770	1.7
173.13344	5.5
175.11220	1.9
175.14879	3.1
177.12822	2.8
181.10136	2.8
183.11790	4.4
185.13338	4.2
187.11252	4.0
187.14914	3.6
190.08620	7.3
191.08983	2.8
195.11801	5.7
195.13632	1.4
197.13301	3.1
199.11319	1.8
199.14888	2.9
201.12822	2.1
203.14340	2.0
207.11876	1.4
209.13165	3.0
211.14946	3.8
213.16510	2.7
217.16014	4.1
221.13387	1.8
223.14980	1.6
237.01701	1.3
241.19775	1.9
245.19119	2.1
257.19156	2.7
259.20709	5.5
273.18539	17.4
275.20062	2.6
279.16168	5.3
288.06262	6.9
289.06888	4.2
291.19543	18.1
315.23474	4.2
327.27057	1.9
333.24545	5.7
347.22229	10.9
365.23303	1.6
513.37189	2.2
531.38513	2.5
549.39752	3.7
565.39410	1.9
595.43890	1.6
605.27814	2.1
605.41992	16.6
623.27661	3.4
623.43207	100.0
624.43347	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	624.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
60.04504	0.4
65.03944	0.3
67.05508	2.0
69.03424	0.8
69.07071	0.7
78.04714	1.8
79.05502	2.3
81.03414	2.7
81.07070	2.4
83.04996	0.4
83.08627	0.3
85.02896	0.6
91.05482	1.5
93.03368	0.4
93.07037	2.4
95.04985	0.6
95.08610	1.8
97.02880	1.2
105.07069	0.8
106.04159	0.8
107.08617	0.8
108.04484	2.1
109.02844	0.5
109.10138	0.8
117.07069	0.5
119.08553	0.8
121.10129	0.9
123.04434	5.3
124.05188	1.5
126.05486	0.7
131.08514	0.6
135.11742	0.6
140.04659	0.4
145.10107	0.4
149.13168	0.3
151.03888	0.7
152.04695	1.4
159.11589	0.5
167.07042	100.0
168.07327	0.7
175.11586	0.3
180.18643	0.3
265.18100	0.3
281.05273	0.3
404.28412	0.3
422.28864	0.5
537.68152	0.3
548.57422	0.3
625.25995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
54.18839	1.7
55.01874	3.7
55.05264	2.6
55.05515	37.9
57.03433	4.6
57.07076	3.7
59.04994	2.6
65.03933	6.0
67.05511	97.9
69.03438	3.9
69.07068	26.3
69.24999	12.5
69.25413	3.6
71.04997	8.5
77.03950	1.3
79.05500	93.4
81.03401	2.3
81.07064	100.0
83.04985	11.5
83.08624	19.1
85.06542	6.5
91.05486	98.8
92.05789	2.2
93.06470	3.9
93.07051	77.9
95.04973	17.7
95.08618	56.4
97.06511	12.9
97.10172	21.7
98.20671	3.3
99.08069	2.4
103.05458	2.0
105.04536	3.2
105.07040	74.6
107.04987	4.0
107.08598	63.7
109.06519	7.7
109.09460	2.2
109.10164	29.6
111.08080	6.7
111.11668	2.3
113.06023	1.9
117.07024	25.8
119.08592	47.0
121.06484	4.6
121.10154	42.8
123.08084	3.8
123.11732	13.9
125.09620	14.7
128.06245	3.4
129.07014	10.1
131.08586	43.9
133.10146	38.4
135.08063	6.4
135.11684	16.0
137.09590	3.9
137.13263	4.2
139.11160	4.9
141.07011	4.9
143.08566	9.7
145.10130	29.9
147.08044	4.6
147.11707	25.8
149.09647	3.5
149.13249	7.3
151.11203	2.8
151.14801	1.8
153.09146	2.8
155.08556	4.1
157.10124	10.1
159.11719	11.8
161.13243	11.6
163.11186	4.8
164.07002	1.8
165.12672	2.3
169.10117	5.2
171.10365	1.7
171.11618	8.0
173.11765	5.0
173.13293	9.0
175.11154	1.9
175.14810	2.1
177.12755	2.8
179.14374	2.3
181.12251	4.1
183.11726	5.8
185.13258	2.2
187.11365	2.0
187.13264	2.4
187.14828	4.4
189.11252	13.1
190.08672	3.3
197.13321	3.7
201.12968	2.0
203.12729	4.0
205.15971	2.4
207.13896	2.5
211.14799	2.8
239.18047	8.5
241.19626	1.8
243.21071	4.9
257.19031	17.1
261.22177	11.2
273.18466	3.7
275.20090	93.3
277.21613	4.5
279.23181	28.0
288.06302	4.7
291.19556	3.2
293.21161	16.5
295.22903	1.8
297.24301	6.0
431.31601	3.7
433.70090	1.7
507.41766	1.6
535.41156	2.4
553.42181	5.3
571.43359	7.3
589.43988	4.6
606.42352	4.2
607.45367	4.9
624.43518	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	624.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18777	1.5
53.03939	6.4
55.01871	6.0
55.05268	2.0
55.05515	35.4
57.03429	4.7
57.07078	4.0
65.03936	4.4
67.05509	100.0
69.03423	2.3
69.06723	2.1
69.07072	28.1
71.04995	14.9
77.03923	2.0
79.05060	3.2
79.05500	62.6
81.07062	95.9
83.04991	19.6
83.08620	18.4
85.06540	6.6
91.05486	60.9
93.07051	54.7
95.04968	7.9
95.08611	60.8
97.06546	23.8
97.10174	15.6
98.21515	3.3
98.98495	2.1
99.08090	2.7
103.05407	2.0
105.04512	2.0
105.07039	44.2
107.05044	2.1
107.07880	2.1
107.08601	40.6
109.06528	8.2
109.10161	41.2
111.08092	6.7
115.05410	2.9
117.07027	20.5
119.08595	29.5
121.06519	3.0
121.10159	30.1
123.08064	12.5
123.11702	10.3
124.99996	7.3
125.09648	10.4
128.06267	2.4
129.07024	12.4
131.08580	40.0
133.06522	2.5
133.10136	29.2
135.08058	3.3
135.11708	16.2
137.09622	7.5
137.13275	4.8
139.11186	4.4
141.06990	4.2
143.08568	10.0
145.10136	31.8
147.08014	1.9
147.11674	18.3
149.09644	6.9
149.13258	6.0
151.11174	5.6
153.09190	1.9
155.08566	5.5
155.10724	2.1
157.10109	7.4
159.11697	19.3
161.13278	13.7
163.11148	4.2
163.14813	3.5
164.07072	6.2
165.12788	4.4
169.10136	5.8
171.11664	12.0
173.11743	5.8
173.13258	11.8
175.14781	3.8
177.12750	3.5
177.16365	2.3
179.14323	3.8
181.12270	2.2
183.11610	6.4
185.13301	3.4
187.13290	2.5
187.14825	3.4
189.11209	2.3
189.12810	2.1
190.08617	25.9
191.08835	1.8
191.14282	1.9
197.13243	3.2
203.12782	3.5
208.09702	2.8
209.15381	2.5
211.14819	4.1
213.16327	4.0
229.19527	3.1
239.17955	9.3
243.21127	4.1
245.19133	2.0
257.19025	17.1
259.20599	1.9
261.22125	9.6
263.20508	2.1
275.17261	3.1
275.20065	39.4
277.21616	6.1
279.23209	25.3
288.06366	27.0
289.06454	2.9
290.07062	2.3
293.21066	7.3
295.22598	2.1
297.24243	4.3
312.44794	1.8
383.35944	2.0
415.32111	2.6
417.33472	3.6
431.31717	3.4
433.32993	7.2
445.32037	1.7
535.41150	5.5
553.42584	16.8
571.43579	23.5
589.44611	8.2
607.44501	2.1
624.29016	2.4
624.39563	9.0
625.44556	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	624.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.05513	15.0
56.79110	2.5
57.03440	13.2
57.06824	3.2
57.07082	45.7
61.71022	2.9
66.97227	2.9
67.05511	36.0
69.07066	14.0
71.08637	30.6
71.38605	6.5
79.05496	35.8
80.95415	3.6
81.07062	42.9
83.08617	17.2
85.10178	19.5
91.05489	44.5
93.07056	37.4
95.08620	33.9
97.10172	5.8
101.58842	2.8
105.07039	48.0
107.08604	20.6
109.10146	10.9
110.91011	2.6
117.07014	12.9
119.08583	39.3
121.10182	13.9
121.47530	3.4
123.11700	7.2
129.06996	8.5
131.08563	14.9
133.10165	32.6
135.11714	11.4
143.08594	7.0
145.10133	15.6
147.11685	31.9
149.13255	6.9
157.10123	6.9
159.11676	11.4
161.13257	18.8
165.67607	2.7
171.11690	8.9
173.13229	6.1
175.14780	6.6
185.13269	10.4
199.14819	6.4
231.21094	6.9
239.23677	6.2
241.19504	31.4
259.20593	75.3
277.21741	2.9
313.27362	100.0
315.23123	6.0
333.24219	62.2
494.31104	3.5
571.46893	17.1
589.48047	12.9
625.32422	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1768
Annotation	Stellarin 2
Peak:m/z	Relative Intensity
50.88227	1.8
55.01856	2.0
56.41686	1.7
61.17866	1.7
69.03406	1.7
70.30638	6.5
81.03423	2.3
85.02925	4.0
96.22077	1.8
97.02907	2.0
107.05000	2.0
109.02908	3.8
111.75019	2.0
137.02319	7.3
149.06001	6.3
151.03915	22.8
162.71730	2.0
163.03917	6.4
177.01793	2.0
177.05508	4.2
179.03471	2.0
187.03906	2.1
189.01852	5.3
191.03433	4.0
195.02879	4.1
203.03415	5.7
207.02919	5.2
217.04977	2.8
219.02878	3.4
229.04906	3.6
229.10272	2.2
247.05998	2.2
255.02795	3.3
284.06921	2.9
285.03839	1.9
293.96298	1.8
294.05289	3.4
295.05826	2.1
296.07004	2.8
297.07547	3.5
298.08380	2.1
309.04166	2.2
309.07523	6.0
310.04730	10.4
310.08133	3.3
311.05679	2.8
311.09161	3.1
312.06314	4.2
313.07187	8.6
322.04794	6.8
323.05554	4.5
323.09100	3.2
324.06241	17.5
325.07062	64.7
326.07794	6.6
327.08627	5.1
328.05975	2.4
336.06241	7.3
337.07077	40.5
338.04126	2.2
338.07803	11.8
339.08762	9.4
340.05609	6.0
343.08087	6.9
349.07129	5.1
350.07877	5.1
351.04886	2.1
351.08710	19.2
352.05634	7.1
352.09558	6.0
353.10062	2.3
355.08154	83.1
362.07864	4.8
363.08633	3.4
364.05496	2.7
365.10257	12.3
366.07242	5.5
367.08160	52.0
377.10260	7.6
379.08157	28.6
381.09808	18.0
385.09177	18.1
387.08887	2.4
391.08112	13.2
393.09647	5.7
394.77359	2.0
395.11313	11.7
397.09317	3.1
403.08209	6.6
405.09845	9.4
409.09235	53.2
415.08197	4.5
419.11255	2.7
421.09238	23.5
422.09396	2.2
423.10922	3.7
431.11295	3.3
433.09247	15.6
439.10190	42.4
445.10373	2.3
451.10355	22.6
457.11472	31.1
457.20673	2.3
463.10431	3.6
469.11353	31.2
475.12387	8.6
487.12402	100.0
493.11078	3.7
505.13394	25.8
511.12393	23.8
517.11670	4.0
523.12402	3.3
529.13434	22.1
535.12274	5.8
541.13416	26.9
553.13446	23.4
559.14343	12.2
571.14545	26.6
589.07336	2.2
589.15674	31.7
607.16559	16.2
625.18085	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75231	0.3
51.65733	0.3
55.81896	0.3
66.00845	0.4
69.03436	0.7
69.56110	0.6
69.56519	1.4
81.03236	0.3
83.01100	1.1
84.01861	0.4
85.02907	0.9
85.06557	1.0
91.05508	0.4
95.01096	2.2
96.01860	1.3
97.02847	0.5
98.97609	0.8
107.60153	0.3
111.00609	0.5
112.01382	0.7
113.02133	3.1
123.04482	0.3
126.02943	0.5
131.04967	1.2
137.06012	1.7
141.05240	0.4
151.03857	0.4
157.04791	0.8
163.03976	0.8
167.03218	0.7
177.05286	0.4
185.04253	5.8
185.05785	0.9
201.03752	1.2
201.05363	0.3
203.05319	1.0
205.04735	34.9
209.31406	0.3
235.58835	0.3
237.03024	0.4
249.15793	1.5
266.07693	2.4
267.08463	0.6
327.09033	0.6
351.10449	0.5
355.08191	0.7
365.12207	2.2
381.11636	1.0
440.56689	0.3
441.14014	0.4
457.57104	0.3
463.16248	0.4
469.11133	0.4
487.12463	0.6
541.14020	0.3
625.21082	100.0
626.21326	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62154	0.4
50.87996	0.5
54.09336	0.4
54.41576	0.4
56.43104	0.5
57.03451	0.7
69.03443	2.2
71.04987	1.2
71.56062	0.5
79.05483	0.9
81.03398	0.6
85.02906	4.1
89.03924	3.8
97.02891	1.8
99.04502	0.5
105.06979	0.4
107.04938	1.3
117.03394	5.9
129.05507	0.5
129.06964	0.5
135.04433	11.0
137.05995	1.6
145.02856	10.2
145.04002	0.8
148.19315	0.5
149.05995	0.7
151.07515	1.1
161.06012	1.4
163.03922	100.0
164.04265	0.5
165.05516	1.5
167.07010	0.6
179.07083	1.7
181.04994	0.9
197.08197	0.5
203.06998	1.3
216.71339	0.4
221.08105	1.0
231.73900	0.5
233.08118	0.6
239.91307	0.5
244.55856	0.5
245.08200	1.0
247.09697	1.7
252.69225	0.4
263.09189	1.5
291.08948	0.5
309.09750	2.2
311.77667	0.5
317.11575	0.5
325.09232	3.1
490.81863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2127
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
52.47202	0.3
55.05492	0.3
57.03451	1.3
58.18988	0.2
63.02365	0.4
69.03431	2.3
71.05000	6.2
74.17101	0.3
79.05489	0.7
81.03413	0.6
81.30359	0.3
83.04982	0.5
85.02911	7.4
85.03432	0.4
89.03915	3.4
89.88725	0.3
91.05494	0.3
97.02898	3.2
99.04454	0.3
99.70616	0.2
101.41371	0.2
107.04962	1.4
111.04415	0.5
117.03389	5.3
119.04951	0.3
129.05460	1.5
135.04428	11.1
137.05995	1.1
145.02850	8.3
147.04382	0.4
147.06554	0.8
149.06039	0.4
151.07539	0.5
154.87584	0.3
161.05978	0.6
163.03914	100.0
164.04259	1.0
165.05467	1.0
167.07057	0.3
179.07014	1.5
181.04924	2.2
203.07036	0.5
221.08092	0.6
223.29698	0.3
245.08153	0.8
247.09683	0.5
263.09100	1.1
265.07050	0.5
291.08395	0.4
297.86832	0.3
307.08170	0.6
309.09723	1.8
325.09189	12.2
519.76471	0.3
523.66461	0.3
553.10327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
57.03443	9.5
58.98883	1.1
59.05007	1.3
61.02905	2.8
61.80447	1.2
64.00922	1.1
69.03432	20.1
71.04999	50.4
71.55784	1.8
73.02913	4.5
75.04485	7.4
80.67065	1.0
81.03431	3.4
83.04992	12.6
85.02911	100.0
85.80625	1.1
86.47939	1.1
87.04498	1.3
91.03938	3.1
91.05473	4.1
93.07073	1.7
97.02888	9.8
98.97588	1.9
99.04454	2.6
103.03967	1.2
109.02892	1.9
111.04443	6.3
119.01849	1.1
119.04932	3.7
121.06503	5.0
123.04416	1.1
124.70477	1.1
127.03931	9.1
129.05493	38.7
129.07005	1.9
131.04916	1.8
133.06438	1.7
137.05989	33.1
145.04997	8.0
147.06531	22.9
149.05992	4.7
151.07585	7.0
155.07033	4.9
157.06538	2.2
161.05997	3.4
163.06024	1.9
165.05489	5.0
167.07089	4.0
171.06566	1.3
175.07564	2.7
179.07056	13.4
191.07048	1.8
197.08160	1.2
203.07030	3.4
217.08701	1.4
221.08173	5.7
247.09703	9.4
251.09283	1.5
255.08612	2.9
263.09174	5.1
265.10736	5.8
273.09668	4.1
281.10187	3.1
283.11719	1.4
301.12735	1.4
309.11765	6.7
317.12140	1.8
323.10263	1.7
324.10300	1.4
332.09421	3.4
339.09204	1.7
340.09619	1.7
501.14682	1.9
502.14685	2.3
503.14722	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
65.03940	0.5
67.05502	3.9
69.07077	1.0
70.68874	1.0
79.05503	2.8
81.07053	3.2
83.08637	1.1
91.05483	2.5
93.07046	2.9
93.17620	0.5
95.04983	0.6
95.08627	2.0
97.06525	0.6
97.10184	0.6
105.07047	1.7
107.08602	1.9
109.06539	0.5
109.10181	1.1
117.07052	0.9
118.36744	0.4
119.08555	1.2
121.10194	1.1
122.98993	0.4
131.08607	1.0
133.10159	1.2
135.08128	0.5
135.11703	1.8
145.10159	1.1
159.11702	0.8
190.08643	1.4
191.09019	0.6
221.10771	0.6
223.12155	0.5
264.82983	0.4
270.10046	0.5
273.18549	0.8
275.20111	0.8
277.21744	1.3
285.03290	0.5
288.06476	1.4
291.19507	0.8
293.12570	0.6
314.16589	0.5
340.17950	0.5
352.84570	0.5
376.16714	0.7
377.17654	2.4
378.18494	1.0
389.18008	1.4
390.18457	1.6
391.19205	3.1
392.19794	3.1
393.21158	1.0
403.19666	0.8
404.20328	2.1
405.20770	9.4
406.21570	2.5
407.22363	6.1
417.21100	1.0
418.21796	0.9
419.22311	4.5
420.23178	4.1
421.23849	7.8
422.17300	1.0
422.24835	0.9
433.24567	2.4
434.24591	2.4
435.18283	2.1
435.24829	1.0
436.18958	2.6
437.19809	1.5
445.20419	1.4
447.21710	1.4
449.19424	2.4
449.27393	0.9
450.20630	2.0
451.21332	24.5
452.22171	4.4
460.23022	0.6
461.23648	0.7
463.21341	2.0
464.22220	1.8
465.22897	17.2
466.23721	3.8
473.18948	0.7
475.20551	0.9
475.25790	0.9
477.26950	1.2
478.23840	0.9
479.24625	2.3
487.21280	1.0
488.22208	0.9
491.20789	1.3
492.21005	3.2
493.26035	13.7
494.26749	1.7
501.22946	1.3
502.23831	0.6
503.24496	9.0
505.22751	1.0
508.21188	0.5
509.21896	3.1
519.24152	0.6
521.25598	7.5
523.23480	10.5
523.31073	0.9
526.25568	1.1
537.25073	6.3
538.25800	18.3
547.23962	3.1
565.24469	9.7
566.25171	2.5
581.27655	6.5
607.25629	5.3
625.26569	100.0
625.40918	5.1
626.26807	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	625.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28315	1.1
53.03943	3.7
55.01859	3.2
55.05513	11.8
56.51431	1.3
56.55252	1.3
57.03417	4.2
57.07074	1.6
61.02917	1.9
62.39770	1.5
65.03920	1.9
67.05509	29.3
68.21999	1.4
69.07061	14.2
70.16514	3.8
70.16929	3.3
71.04990	3.4
79.05495	25.0
80.30083	1.4
81.07064	30.5
83.04987	2.7
83.08626	7.3
85.02986	1.3
85.06546	1.7
89.25886	1.6
91.05486	32.8
93.07053	26.8
95.04993	3.3
95.08606	22.6
97.06516	5.1
97.10197	3.0
99.08115	1.9
105.07032	33.2
107.04964	2.5
107.08607	12.2
109.06502	3.8
109.10144	7.7
111.08096	1.6
115.05463	1.7
117.07018	20.9
119.08590	21.4
121.06532	4.9
121.10133	9.5
123.08109	2.3
123.11702	2.6
125.09733	1.6
128.06226	2.6
129.07010	13.1
131.08568	27.3
133.06552	1.7
133.10124	15.0
135.08069	3.6
135.11707	5.9
141.06970	4.3
143.08565	11.3
145.06470	1.9
145.10124	19.3
147.08066	2.1
147.11679	3.9
149.09630	2.9
149.13301	2.4
155.08569	7.4
157.10135	11.6
159.08041	1.7
159.11703	11.1
161.09578	2.6
161.13293	3.1
167.08533	1.9
169.10085	7.3
171.08044	1.7
171.11674	8.5
173.09705	1.7
173.13252	5.3
175.11157	2.0
177.12689	1.6
181.10130	6.5
182.10976	1.3
183.11688	5.1
185.09744	1.7
185.13255	6.1
187.11119	2.3
187.14867	2.4
195.11719	4.9
197.13223	4.5
209.13268	3.8
211.14835	2.9
215.14299	1.5
217.55084	1.5
221.69893	1.4
225.16403	1.6
238.96638	1.4
241.15816	2.1
259.17004	3.1
325.25336	4.0
335.23508	3.3
343.26318	4.8
353.24713	16.5
371.25754	17.4
382.24860	1.3
389.26846	19.7
427.28308	3.3
435.31271	1.7
445.29501	100.0
463.30606	71.7
463.36246	1.2
607.43182	5.5
625.44757	12.3
651.03033	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01873	1.1
55.05513	5.0
56.59616	0.6
57.03442	2.9
61.02907	0.6
65.03925	0.7
67.02714	0.5
67.05173	0.8
67.05510	14.2
69.03422	0.7
69.07075	6.3
69.45541	4.5
71.04986	1.7
76.27149	0.5
77.47103	0.5
79.05502	12.5
81.03417	1.0
81.07062	16.5
83.04975	1.2
83.08620	2.7
85.02922	0.8
85.06548	1.1
91.05485	18.8
93.07050	14.2
95.04967	2.1
95.08617	11.1
97.06550	2.3
97.10178	1.4
98.21468	0.8
99.04446	1.0
105.07041	18.7
107.04961	1.6
107.08595	6.8
109.06519	2.0
109.10169	3.2
115.05457	1.5
117.07034	8.6
119.08592	10.7
121.06516	2.5
121.10149	6.0
123.08064	1.6
123.11706	0.8
128.06218	0.9
129.07018	6.6
131.08589	17.2
133.06499	1.2
133.10152	7.6
135.08035	1.9
135.11691	2.5
136.26367	0.5
137.09599	0.9
141.06972	2.9
143.08574	7.7
145.06483	1.9
145.10136	10.3
147.08057	2.2
147.11684	2.1
149.09637	1.3
149.13254	1.0
155.08554	3.7
157.10158	5.2
159.11739	4.2
161.09595	1.1
161.13268	0.9
163.03999	0.7
167.08586	0.9
169.10158	3.1
171.08116	0.8
171.11691	3.7
173.09608	0.8
173.13284	2.2
175.11217	0.7
177.12679	0.6
181.10172	1.5
183.11713	2.3
185.09691	0.7
185.13281	2.1
187.11337	0.8
187.14844	1.6
189.12787	0.6
192.18472	0.7
195.11732	1.7
197.13269	2.3
199.11255	0.8
199.14868	1.3
205.15811	0.7
209.13367	2.1
211.14853	1.7
215.14389	0.9
223.14761	0.8
227.14618	0.9
233.15332	1.2
235.16946	0.7
244.85732	0.6
245.15309	0.8
255.17429	1.1
259.16943	0.7
269.76160	0.8
273.18613	0.8
325.25269	1.9
335.23511	0.8
343.26355	3.7
353.24759	7.2
358.81415	0.5
371.25836	9.1
389.26920	9.7
427.28516	1.4
445.29544	100.0
463.30582	21.9
484.36594	0.7
497.18646	0.7
625.44653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05508	2.0
57.03441	0.8
60.64699	0.5
67.05516	3.9
69.07085	1.5
69.21895	1.9
69.22322	3.5
70.76549	0.5
71.05035	0.5
79.05492	3.2
80.05481	0.5
81.07057	3.1
83.04988	0.6
83.08627	1.3
85.02838	0.6
91.05475	3.4
93.07056	2.8
95.04973	0.9
95.08627	3.2
97.06559	0.6
97.10189	0.8
105.07024	2.9
106.40304	0.5
106.86012	0.5
107.00407	0.5
107.08591	1.6
109.10159	2.3
112.95718	0.5
117.07026	1.3
119.08592	1.4
121.06499	0.6
121.10171	1.1
125.09634	0.6
129.07037	1.0
131.08580	1.9
133.10144	1.5
135.08051	0.8
135.11707	0.8
143.08575	0.9
145.10051	1.1
147.11722	0.8
155.08530	1.1
155.21092	0.5
157.10173	0.7
159.11681	1.0
163.03928	0.6
167.93985	0.5
169.10104	1.0
171.11653	1.0
183.11714	0.8
185.13446	0.6
197.13301	0.8
198.89688	0.5
213.16489	0.6
273.18436	0.7
275.20105	1.3
303.17618	0.6
335.25867	1.0
373.77533	0.5
533.39240	0.5
607.42987	2.5
625.40723	100.0
626.40833	1.6
641.11792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
55.01877	5.6
55.05518	25.4
57.03445	4.0
57.07079	4.4
57.96068	1.2
65.03957	1.4
67.05510	42.9
69.03429	2.2
69.07074	21.7
70.76403	1.6
70.76742	2.4
71.05007	4.1
71.08632	1.8
79.05500	32.3
79.27942	1.4
81.03461	1.6
81.07065	44.9
83.05006	3.8
83.08633	11.7
85.06561	2.7
91.05487	26.4
93.07059	29.2
95.04995	5.4
95.08620	28.6
97.06533	6.7
97.10177	11.9
98.98472	2.3
99.08102	1.3
105.04552	2.0
105.07046	27.6
107.04985	2.3
107.08599	22.2
108.52805	1.8
109.06558	3.1
109.10165	15.7
111.08082	3.4
115.05531	2.2
117.07024	14.0
119.08595	21.4
121.06592	2.9
121.10152	12.7
123.08089	1.8
123.11699	8.4
125.09627	7.4
128.06227	4.3
129.07007	14.4
131.08586	21.7
133.06512	1.6
133.10156	17.6
135.08099	2.0
135.11682	6.3
141.07033	6.2
142.07869	3.5
143.08594	18.7
145.06497	1.7
145.10147	19.1
147.11705	11.4
149.09695	2.6
149.13289	2.8
151.11227	1.8
153.07002	1.5
154.07747	1.9
155.08563	11.8
156.09230	2.1
157.10152	18.0
158.10948	1.5
159.08122	2.7
159.11723	14.5
161.13310	5.9
163.11255	2.8
163.14905	2.5
165.07040	1.6
167.08638	5.5
168.09454	2.3
169.10165	14.2
171.11693	16.2
173.13275	8.9
175.11223	1.6
175.14917	3.4
179.08551	2.0
180.09303	1.6
181.10213	7.6
182.10979	2.0
183.11705	13.4
185.13290	10.9
187.11319	1.7
187.14914	4.7
187.91418	1.5
189.11299	4.0
193.10211	3.6
195.11768	6.3
195.13727	1.2
197.09639	1.7
197.13271	13.2
199.14781	7.9
201.12929	2.1
201.16420	3.0
205.10277	1.5
207.11789	3.1
209.13280	7.3
211.14793	7.6
213.16454	3.9
221.13277	3.3
223.14882	4.5
225.16504	6.0
227.12907	4.4
227.18048	3.7
235.14885	2.5
237.16550	4.1
239.18074	4.1
241.19637	2.4
243.15979	2.3
249.16429	2.0
251.18021	1.7
253.19759	2.7
257.19205	2.0
259.20807	4.8
273.18524	2.7
275.20209	7.4
297.22211	1.5
328.03806	1.4
333.24390	2.5
349.23764	1.8
365.28140	6.3
379.30356	1.9
381.31955	2.0
383.29556	2.2
403.30170	1.8
419.29346	1.7
421.31308	4.3
439.32260	4.2
449.42270	1.6
495.34561	1.7
513.35828	15.8
515.38879	6.5
527.37317	1.9
533.40106	7.5
537.62695	1.6
551.40985	6.9
555.36725	1.9
589.42871	4.0
607.29236	1.8
607.43604	44.3
607.53253	2.2
625.44788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94610	1.2
53.03947	4.0
55.01876	9.1
55.05260	2.2
55.05514	28.5
57.03444	7.5
57.07080	3.5
65.03930	4.1
67.05508	57.0
68.74293	1.4
69.03454	3.1
69.07072	21.6
70.69078	3.1
71.04992	4.4
79.05497	39.6
81.03421	2.5
81.07063	52.0
83.04991	4.5
83.08614	15.3
85.06559	5.0
91.05486	41.1
93.07048	44.2
95.04977	10.7
95.08614	36.9
95.09234	1.6
97.06522	8.4
97.10180	9.2
99.08076	1.9
103.05491	2.6
105.04571	1.9
105.07031	34.3
107.04985	4.5
107.08596	26.9
109.06534	8.9
109.10162	19.4
111.08108	3.1
113.05927	1.8
115.05444	2.7
117.07015	15.3
119.08598	30.5
121.06523	3.5
121.10140	19.1
123.08109	5.7
123.11694	8.8
125.00044	2.1
125.09639	6.6
128.06203	3.3
129.07010	15.9
131.08580	27.9
133.06535	2.4
133.10126	22.2
135.08095	4.4
135.11717	14.5
137.09639	3.4
141.07033	5.5
142.07816	4.5
143.08553	19.9
144.09352	1.5
145.06477	1.8
145.10132	20.7
147.08095	4.0
147.11714	13.5
149.09650	4.0
149.13309	5.8
151.11290	1.9
153.07010	2.0
155.08600	10.0
156.09433	1.9
157.10107	18.4
158.10976	1.8
159.11696	17.5
161.09627	2.0
161.13217	7.8
163.11229	2.8
163.14836	1.7
165.12755	1.4
167.08640	5.6
169.10129	12.4
170.11107	1.5
171.11697	14.4
173.09679	1.9
173.13235	8.9
175.11224	1.8
175.14867	2.5
177.12811	2.9
179.08589	3.6
181.10097	7.1
183.11725	12.6
185.09717	2.4
185.13219	8.6
187.11250	2.0
187.13423	1.8
187.14897	4.3
189.11240	1.5
189.12802	1.7
190.08649	3.1
191.08971	2.0
193.10147	2.0
195.11687	7.0
197.13289	9.5
199.11282	1.8
199.14821	7.2
201.12849	1.9
201.16437	2.8
205.15929	1.6
207.11789	4.0
209.13252	7.7
211.14900	7.1
213.16510	5.6
217.15816	1.8
221.13339	4.6
223.14897	4.8
225.16484	4.1
227.12915	4.5
227.18060	3.1
229.14262	2.1
233.13370	2.1
235.14877	3.7
237.16524	3.9
239.18068	2.9
241.19647	3.7
243.15939	1.6
249.16650	2.0
251.18094	3.0
255.17537	1.9
257.19092	4.2
259.20532	7.1
261.22229	2.3
273.18518	8.4
275.20123	7.9
277.21817	6.6
279.23248	2.4
281.16928	1.4
289.06708	2.2
291.19656	4.5
317.25079	1.5
327.23157	1.7
333.24289	3.3
335.26270	2.7
347.22324	4.9
349.24210	4.6
363.26926	1.9
365.28665	4.6
377.28574	2.3
439.32437	2.1
499.34344	1.6
513.35754	13.6
515.38696	7.4
527.37427	2.7
533.40009	7.7
551.41235	6.0
567.40411	2.0
579.61176	1.5
607.43597	46.4
625.44763	100.0
626.44836	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77169	0.3
51.92566	0.3
55.05529	0.3
57.03443	2.3
69.03427	2.0
70.06605	0.3
71.05000	16.8
71.56205	0.5
73.02922	0.4
75.04507	0.6
81.03431	1.1
83.04988	1.0
85.02913	18.5
89.03915	1.7
91.05481	2.0
91.80946	0.3
93.07041	0.3
97.02893	5.5
99.04483	0.9
103.05466	0.3
107.04979	1.1
111.04460	0.9
117.03395	3.0
119.04958	6.0
121.06555	0.8
127.03911	1.1
129.05492	5.7
135.04427	8.5
145.02861	7.7
145.04973	0.3
147.04425	55.6
147.06473	2.7
148.04741	0.4
163.03920	100.0
164.04268	0.6
164.09212	0.5
165.05490	1.8
181.05006	1.8
191.99411	0.3
273.07657	0.4
275.09094	0.4
291.08640	0.8
293.10315	0.5
307.08118	0.7
309.09708	10.9
325.09216	18.3
336.46063	0.3
345.08136	0.3
471.14612	0.5
626.24091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02953	0.2
57.03429	1.0
60.18995	0.2
65.03951	0.5
66.92145	0.2
69.03430	1.0
69.66261	0.5
69.66667	0.9
71.01328	0.2
71.05000	8.1
75.04481	0.5
83.04984	0.6
85.02911	8.6
87.04456	0.3
91.04964	0.4
91.05487	4.0
91.18398	0.2
97.02905	1.6
99.04453	0.4
107.05003	0.2
111.04440	0.6
115.72162	0.2
116.83898	0.2
119.04951	13.4
121.06540	0.7
127.48785	0.2
129.05501	2.6
146.08134	0.5
147.04420	100.0
148.04762	0.5
161.06003	0.3
163.03912	1.0
164.09209	1.3
165.05487	1.6
233.42168	0.2
275.09222	0.5
286.19623	0.2
291.08578	0.4
293.10217	2.0
301.10681	0.2
309.09692	7.6
315.69998	0.3
455.15594	0.3
626.22968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40805	0.3
63.02378	0.5
65.03941	0.7
69.03434	0.5
70.06580	0.3
71.58587	0.3
71.58952	0.3
81.03426	0.3
85.02908	0.5
89.03915	3.9
91.05484	1.1
93.03422	0.6
93.07033	0.3
97.02901	14.4
115.05425	0.5
117.03385	13.0
119.04954	1.4
121.06519	1.0
129.07018	0.5
133.06500	0.3
134.03647	0.8
135.04401	0.7
137.05957	1.7
143.04953	0.3
143.06207	0.3
145.02852	42.7
146.03177	0.4
147.04428	1.8
149.02351	0.9
149.05994	5.7
151.03871	0.6
155.04846	0.3
157.06487	0.9
161.06015	0.5
163.03926	1.4
163.07626	0.3
165.05501	0.4
167.03407	5.1
167.04713	0.3
169.06383	0.3
174.03139	0.4
175.03912	1.8
175.07579	1.2
177.05478	100.0
178.05817	0.8
184.05136	0.3
185.06071	0.3
186.05498	0.8
187.07564	0.4
189.05478	6.9
189.09021	1.2
199.07535	0.8
200.04694	0.4
201.09221	0.4
207.06543	3.5
215.07031	1.4
217.08652	0.8
227.06990	0.7
227.29529	0.3
240.57770	0.3
245.08047	1.0
261.07816	0.4
262.07928	0.3
273.07578	5.6
291.05615	0.4
291.08640	4.5
299.63571	0.3
303.08600	0.4
309.09659	2.2
311.12720	0.6
339.10834	2.2
350.16998	0.2
415.31122	0.2
626.23413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25595	0.1
51.02369	0.4
53.03952	1.4
55.01871	0.2
60.28142	0.1
65.03942	0.3
69.03432	0.4
69.61857	0.8
70.06608	0.2
77.03916	0.3
79.05461	0.2
81.03416	0.3
85.02898	0.6
87.04449	0.2
91.05481	4.7
93.07050	9.4
95.04974	1.4
97.02884	0.2
98.20700	0.1
99.86629	0.2
103.05473	6.1
105.04518	0.6
107.49232	0.1
121.06509	100.0
122.06831	0.6
127.03846	0.2
150.05569	0.3
163.03944	0.4
163.89122	0.1
164.07074	3.6
166.08711	0.2
186.59848	0.1
206.08275	0.2
224.09320	0.2
270.11288	0.3
284.12805	2.9
285.13593	0.3
303.49042	0.1
314.13953	0.4
414.15479	6.9
432.16837	0.3
446.18124	41.9
447.18472	0.6
552.22296	1.7
584.24701	0.3
626.26044	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	626.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	31.2
55.05744	6.5
55.79634	5.1
57.03436	10.0
57.07067	5.8
62.06087	18.8
67.05504	49.5
69.07065	28.0
71.04995	12.9
71.39104	7.8
74.08484	4.9
79.05493	46.5
81.07054	58.6
83.04978	13.7
83.08607	15.9
84.87600	6.1
85.06554	7.5
91.05462	40.7
93.07054	39.2
95.08609	38.3
97.06531	30.1
97.10166	16.2
100.54316	6.2
104.10751	9.4
105.07041	36.5
107.08616	31.0
109.10181	21.2
111.11700	5.8
117.07044	11.9
119.08594	29.5
121.06538	15.3
121.10149	19.9
123.08110	10.0
123.11700	10.3
131.08574	21.7
133.10141	26.4
135.11703	19.7
137.09563	8.0
139.11198	8.7
143.08592	11.6
145.10138	20.9
147.11714	19.1
148.42996	6.8
149.13245	8.3
151.11194	6.1
157.10135	14.8
159.11760	10.5
161.13222	8.1
165.12869	7.5
169.10112	7.0
171.11732	12.7
173.11816	11.7
173.13237	11.7
184.07433	5.8
189.11212	8.7
195.11711	5.9
196.95372	5.5
197.13263	6.7
217.19543	12.7
230.15440	9.6
235.20613	24.6
239.18034	6.1
249.18570	7.5
253.21706	19.0
257.18985	11.8
271.22687	8.2
275.20096	100.0
292.19196	23.5
293.21118	88.7
294.24301	20.9
311.22253	13.5
312.25311	6.4
320.21066	6.5
360.56946	5.6
514.35651	7.3
563.42487	7.0
608.43860	13.2
626.44604	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	627.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01858	0.4
57.03434	0.7
61.02935	0.9
68.99799	0.4
69.03077	0.2
69.03426	2.2
69.38538	1.0
69.99415	0.1
71.04979	0.3
73.02923	0.3
74.06178	0.1
78.79298	0.1
81.03421	1.3
83.01351	0.2
85.02909	6.4
85.10062	0.1
87.04465	0.3
91.03954	0.4
93.03390	0.2
97.02902	2.2
98.21464	0.2
99.04445	0.4
109.02883	0.8
111.00787	0.8
115.05415	0.1
121.02897	0.8
123.04445	0.3
127.03921	1.6
128.98450	0.1
135.04448	0.2
137.01358	0.2
137.02348	2.8
137.03407	0.2
137.05949	0.2
145.04956	1.0
149.02344	0.3
153.01822	2.9
161.05968	0.5
163.03940	0.4
165.01855	1.7
166.02644	0.2
173.05957	0.3
183.02979	0.6
183.04300	0.1
187.03944	0.3
195.02995	0.2
201.05447	0.9
205.04764	0.2
212.70657	0.1
213.05392	0.1
219.02954	0.2
219.06554	0.2
228.04137	0.2
229.04964	3.5
247.05965	0.7
257.04471	2.4
274.04852	0.6
275.05527	0.1
285.03943	1.2
303.04993	100.0
304.05338	0.9
306.21088	0.1
315.04794	0.1
345.05969	0.2
443.04947	0.1
465.10315	8.7
627.21466	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1561
Annotation	Quercetin 3-gentiobioside
Peak:m/z	Relative Intensity
53.03928	0.5
55.01871	0.4
57.03437	0.5
61.02911	0.9
67.83145	0.3
68.99792	0.7
69.03442	2.5
69.72366	0.9
69.72775	0.6
73.02930	0.5
75.88200	0.3
81.03427	1.3
83.10719	0.2
85.02915	10.5
87.04483	0.3
91.03932	0.5
93.03397	0.3
97.02905	3.0
99.04478	0.5
109.02887	1.4
111.00800	0.8
121.02872	0.9
121.06535	0.4
123.04451	0.4
127.03944	2.1
137.02338	3.3
145.04973	2.7
149.02274	0.4
153.01840	3.1
163.03935	0.8
163.05997	0.6
165.01836	1.9
166.02763	0.3
183.02933	0.7
191.07039	0.3
201.05499	1.4
221.36128	0.3
229.04984	3.6
247.06105	0.8
257.04468	2.5
274.04749	0.5
285.04059	1.4
303.05020	100.0
304.05356	1.1
345.06171	0.7
411.33527	0.3
465.10303	0.5
488.37292	0.3
627.24518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76206	0.6
69.58150	2.7
69.58581	1.8
96.43821	0.6
98.20789	1.2
163.22092	0.6
408.12491	1.7
409.13165	1.2
411.14941	1.3
414.14694	0.8
421.13025	1.3
422.13849	4.9
423.14691	4.8
424.15552	2.1
425.16464	1.0
426.16861	2.0
428.16205	1.0
435.14648	2.7
436.15619	4.2
437.16376	8.2
438.16910	2.4
439.18207	1.0
440.18750	0.8
441.19986	3.8
447.14813	0.9
449.16064	1.8
450.17633	1.2
451.18555	5.3
452.18271	2.9
454.16815	1.3
455.17346	1.3
464.14221	1.1
465.14722	3.6
466.15942	0.9
467.16711	1.0
469.14185	1.1
469.19064	2.5
478.16464	1.7
479.17551	2.9
480.18033	4.0
481.14923	1.4
483.16705	0.9
492.18701	0.8
493.19293	5.0
494.15591	0.6
494.19952	1.1
495.16644	6.0
496.17703	1.8
497.18716	1.2
498.15207	3.6
505.19092	0.7
506.16058	1.2
507.16699	1.0
508.17426	6.0
510.19635	5.2
511.19815	2.7
512.16260	4.4
521.18347	8.0
522.14978	8.3
523.15851	0.7
523.19696	0.6
525.17841	5.8
526.14673	5.2
533.18402	0.9
535.16235	1.0
538.18384	2.2
539.19031	3.3
549.17682	1.4
551.19379	2.1
567.18744	59.0
568.18988	1.4
585.19714	4.4
595.18329	4.9
608.21429	5.8
623.19739	0.8
627.20862	100.0
628.21271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00470	0.3
56.96445	11.4
56.96765	5.0
58.63619	0.3
65.35023	0.3
71.58953	0.3
71.95129	2.7
71.95563	0.5
72.95927	0.9
74.97511	0.8
84.95891	1.2
88.81108	0.3
97.96791	1.7
97.99085	0.5
98.97439	0.9
98.98018	0.5
105.00024	0.8
110.97425	7.2
111.98424	0.4
115.97707	0.7
116.31924	0.3
119.01572	0.4
123.01073	0.7
124.98959	0.6
128.26834	0.3
128.98611	7.9
128.99469	0.6
131.00047	0.6
137.02615	0.6
143.00150	1.9
146.99658	5.0
151.00475	0.4
151.04153	0.3
152.00063	0.8
155.03650	0.5
161.01172	1.9
161.04755	0.6
163.67593	0.3
165.00656	0.6
169.01651	0.4
169.05133	0.5
170.01154	0.4
171.03136	1.1
175.02634	0.9
185.04680	1.2
189.04192	1.1
203.05771	1.4
205.07292	0.6
208.06113	0.5
209.04788	0.4
217.07225	0.5
219.08867	0.4
227.09508	0.9
233.04916	0.4
235.06305	0.5
239.09453	0.5
241.11061	1.8
244.09595	0.4
245.08348	0.5
245.10565	0.7
249.07832	0.5
252.10350	1.7
256.09732	0.4
259.12082	1.5
263.09546	3.9
264.10199	0.5
270.11273	0.9
277.11163	0.7
281.10516	0.8
285.11206	0.3
289.11130	0.5
291.12659	0.6
299.13483	0.4
303.12564	2.1
313.14755	1.4
315.16299	49.4
321.14114	0.4
331.15811	2.9
333.17368	100.0
334.17780	1.1
351.18442	45.5
356.18988	18.2
357.19397	0.7
369.19525	0.5
374.20041	11.4
397.21869	0.7
591.36951	1.9
609.39087	0.7
627.33118	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
57.03428	0.9
67.05515	5.0
69.07066	1.5
69.21908	4.1
69.22319	1.0
71.02473	0.5
74.96254	0.5
79.05493	2.1
81.07053	4.4
83.04958	0.6
83.08622	1.2
91.05506	2.7
93.07049	3.1
95.08624	2.6
97.06551	0.6
98.21478	0.8
104.10755	1.1
105.07040	1.9
107.08582	2.2
109.10172	1.4
117.07019	1.0
119.08599	1.8
121.06487	0.5
121.10159	1.5
123.11700	0.6
131.08589	1.3
133.10149	1.5
135.11681	1.2
136.12035	0.6
142.52638	0.5
143.08588	1.0
145.10159	1.5
147.11700	0.8
159.11726	0.7
161.13216	0.6
171.11653	0.8
173.76649	0.5
187.13367	0.5
206.72215	0.6
275.20193	1.2
335.25922	1.6
365.30646	2.4
540.95740	0.5
555.40564	0.8
609.45734	2.6
621.20587	0.7
627.42316	100.0
628.42706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01874	1.1
55.05502	1.8
57.03421	0.6
61.11687	0.3
67.05180	0.4
67.05509	5.0
69.07064	2.6
69.86205	2.0
71.04957	0.4
79.05493	3.7
80.11423	0.4
81.07063	5.6
82.73205	0.4
83.04975	0.5
83.08605	1.1
85.40139	0.4
88.70992	0.4
91.05484	2.6
93.07051	3.3
95.04984	0.6
95.08612	3.4
97.06543	0.9
97.10181	0.5
105.07042	2.3
107.08616	2.4
109.06487	0.9
109.10164	1.3
117.06984	1.0
119.08600	2.5
121.10127	1.9
124.04600	0.4
131.08589	1.6
133.10129	1.5
135.11710	1.0
135.78212	0.4
138.23993	0.4
138.76971	0.4
145.10112	1.5
147.11684	1.3
149.09669	0.9
149.13202	0.5
157.10141	0.6
159.11719	0.9
163.14847	0.4
173.13345	0.5
175.14923	0.5
241.19508	0.5
261.22180	0.5
275.20084	2.8
335.22061	0.4
335.25882	1.2
349.23895	1.0
365.30508	1.4
472.93997	0.5
609.45142	2.9
627.42316	100.0
628.42694	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.5
52.33991	1.3
53.03949	4.3
55.01875	6.3
55.05513	23.4
57.03447	8.9
57.07080	5.5
62.20626	1.3
65.03948	3.9
66.17458	1.3
67.05508	66.8
67.15292	1.4
67.34126	1.4
69.03462	1.6
69.07073	28.4
71.05007	4.6
71.08636	53.1
76.30261	1.4
79.05496	56.4
79.05964	2.8
81.03445	4.4
81.07059	66.6
83.04993	9.1
83.08631	14.6
85.06575	3.1
87.55636	1.2
91.05486	55.7
93.07050	64.6
95.04960	8.0
95.08610	46.2
97.06534	10.4
97.10165	6.8
98.21536	2.1
98.85619	1.3
99.04478	1.3
99.08096	30.9
99.08743	1.7
103.05499	2.1
105.04562	2.0
105.07036	50.8
106.99851	1.5
107.05002	6.2
107.08598	37.0
107.09284	2.2
109.06521	3.4
109.10175	22.1
111.08092	4.0
111.11763	1.6
116.23521	1.2
117.07023	20.7
119.08585	42.9
121.06536	1.9
121.10142	26.1
123.08115	3.8
123.11739	5.7
125.09660	3.4
127.11253	1.5
128.06262	2.4
129.07027	13.9
130.07820	1.4
131.08568	32.8
131.09494	2.3
133.06561	1.5
133.10141	32.1
133.11049	2.5
135.08113	4.2
135.11691	23.9
137.09703	4.5
137.13266	2.4
139.11215	1.9
141.06998	4.4
141.09102	1.9
141.12656	1.6
142.07838	2.6
143.08548	19.0
143.09537	1.7
145.10143	25.4
147.08061	3.1
147.11699	23.0
147.12750	2.2
149.09647	2.4
149.13264	13.8
151.11151	11.4
155.08540	9.0
156.09483	1.4
157.10127	16.1
159.11720	21.1
161.09682	2.5
161.13271	22.8
163.11273	4.8
163.14932	4.1
165.12756	1.3
167.08604	3.6
169.10117	12.5
171.11690	18.9
171.12914	1.5
173.11787	5.2
173.13347	14.8
173.14433	1.2
175.11212	2.1
175.14792	9.2
177.12808	2.6
177.16525	1.3
179.08717	1.6
179.14311	36.6
180.36346	1.5
181.10240	6.0
183.11728	7.7
185.13286	13.1
187.14891	6.3
189.11340	1.8
191.14354	1.5
193.13629	1.6
195.11789	6.5
197.13258	8.6
199.14827	8.5
201.16447	3.1
203.14433	2.3
207.17572	1.6
209.13382	4.7
211.14919	4.0
213.16461	5.9
215.18111	2.8
217.19690	2.3
219.17464	7.1
221.13345	2.9
223.14847	3.3
225.16537	2.4
227.18173	1.9
229.19809	1.6
231.17371	1.7
231.21123	2.6
235.14949	1.5
237.16516	4.7
239.18140	2.9
241.19495	21.3
243.21065	3.2
253.19629	1.5
257.19147	4.0
259.20612	32.5
259.23343	1.8
261.22345	3.1
265.19736	1.6
275.20068	12.0
277.21664	30.4
293.21167	2.3
295.22852	2.8
297.22202	2.4
311.23715	1.8
315.23416	5.6
323.23557	1.5
325.25406	1.7
329.24872	2.0
333.24261	28.5
335.25784	8.4
336.25800	1.5
349.23990	5.0
351.16003	1.4
351.25320	35.5
351.29501	1.8
407.33646	1.8
409.31055	2.0
419.33328	3.9
421.31046	1.9
435.32581	3.3
437.34213	19.1
453.33963	1.6
455.35248	2.0
475.35599	1.7
483.34784	1.7
493.36938	2.7
511.37900	15.6
513.36334	5.5
517.40588	7.9
527.37518	5.1
529.39093	7.0
535.41431	9.5
553.42993	4.7
591.44531	2.6
609.45154	80.4
627.46356	100.0
628.46948	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	628.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
58.59721	0.6
69.89216	1.3
69.89621	2.3
71.45860	0.6
76.70959	0.6
85.02873	0.8
91.05482	2.6
93.07043	5.1
93.12912	0.6
95.04986	0.7
98.20824	1.1
103.05482	3.5
107.05040	0.7
121.06521	100.0
181.05005	1.4
223.06084	2.8
329.10239	0.8
403.13770	0.9
581.01996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	18.2
62.35915	1.1
67.05495	1.7
69.07063	2.2
69.79520	6.6
71.95244	2.3
79.05489	1.5
81.07040	2.6
86.09698	2.4
91.05476	1.5
91.58081	1.2
93.07053	2.5
95.08607	2.8
98.97591	18.5
104.51939	1.1
105.07022	3.3
106.75549	1.1
107.08586	3.2
109.10155	2.5
116.98610	12.4
119.08562	2.9
121.06539	1.9
121.10138	3.6
123.11798	1.1
126.42603	1.1
127.35532	1.1
131.08585	1.4
133.10101	2.9
134.99654	4.1
135.11682	1.9
137.74783	1.0
140.00192	1.9
145.10091	1.6
147.11668	2.1
159.11620	2.1
161.13242	1.4
180.06512	2.3
185.04776	1.3
185.50224	1.2
187.14740	1.3
201.16422	2.1
249.11771	1.7
261.11566	1.4
267.12643	1.6
275.13126	1.6
290.33212	1.1
309.14032	1.6
323.15240	1.3
327.14764	2.8
348.49768	1.3
397.20612	2.1
437.27307	2.4
449.22675	3.5
451.24731	2.6
461.27228	1.9
467.28558	1.4
469.26288	2.9
479.28308	12.4
485.29758	1.3
491.28461	6.7
497.29483	15.0
509.29514	12.3
515.30432	4.5
520.30688	2.3
527.30487	42.7
543.33270	3.7
545.31586	26.6
546.11652	1.5
550.31854	2.5
561.34283	1.2
563.32611	29.7
568.32880	6.6
581.94727	1.2
586.34259	3.0
587.32520	29.4
594.02032	1.2
605.33624	100.0
606.33759	2.4
623.34644	2.6
628.24994	1.5
628.35132	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	628.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	13.8
64.66539	3.2
71.58385	6.1
74.62543	3.3
81.67188	2.9
85.02893	5.1
85.22319	3.2
95.92130	4.1
98.97582	11.4
116.84717	3.2
116.98586	8.5
140.00102	2.8
187.14780	5.6
241.96944	3.2
294.09155	3.4
352.36880	3.3
376.55069	3.3
409.27890	2.9
447.25714	4.4
479.28326	7.6
497.29669	10.1
509.29153	6.6
513.28918	5.2
515.30835	18.0
527.30518	10.8
531.29620	10.6
533.31689	22.4
545.31555	11.4
554.68329	24.9
555.18115	3.8
563.31641	4.8
587.32617	100.0
605.33527	63.2
628.35040	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	628.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60976	0.2
54.74335	0.2
55.05514	0.3
56.05030	0.6
56.96597	0.2
58.06599	0.4
60.08167	5.1
67.05497	0.5
69.07062	0.2
71.07377	2.9
71.19979	0.4
79.05495	0.5
81.07060	0.6
85.02910	0.3
85.78168	0.2
86.09710	26.7
91.05473	0.6
93.07037	0.6
95.04945	0.2
95.08613	0.6
98.97543	0.3
98.98472	2.5
104.10741	2.4
105.07034	0.7
108.07732	0.2
109.10192	0.3
121.06561	0.3
125.00011	18.8
129.06996	0.4
131.08575	0.4
133.10185	0.2
145.10201	0.4
166.16071	0.2
173.32867	0.2
184.07350	100.0
185.07727	0.3
213.89119	0.2
258.18561	0.2
324.73962	0.2
400.89041	0.2
430.06256	0.2
445.30017	0.2
569.28394	0.4
587.32629	1.0
605.33228	0.7
628.35907	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	628.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70596	0.1
56.05029	0.7
56.96558	0.8
58.06608	0.3
59.07413	0.2
60.08168	5.9
67.05495	0.3
67.45016	0.1
69.55007	0.9
71.05017	0.1
71.07378	3.1
73.09017	0.1
79.05506	0.2
81.07060	0.5
83.08613	0.2
86.09711	28.4
91.05482	0.7
93.07036	0.5
95.08625	0.3
98.20744	0.3
98.97624	0.7
98.98471	2.9
104.10752	1.9
105.07043	0.5
107.08610	0.3
116.98647	0.6
117.07023	0.1
119.08581	0.4
121.06511	0.3
121.10171	0.3
125.00011	19.4
131.08659	0.2
133.10138	0.3
134.99622	0.2
135.11725	0.1
143.01097	0.2
143.08514	0.2
145.10185	0.1
148.07173	0.1
163.03848	0.2
184.07349	100.0
185.07597	0.3
196.60869	0.1
202.16267	0.1
209.94579	0.1
227.06004	0.2
285.16672	0.1
435.85184	0.2
445.29233	0.2
467.28076	0.4
509.29388	0.8
527.30444	2.6
545.31604	1.6
563.32623	1.9
568.33472	0.5
586.33984	0.2
587.32556	1.9
605.33698	2.8
628.35919	9.3
629.36456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79483	3.0
55.05512	21.5
57.03460	4.2
57.07074	6.2
59.04997	3.0
65.03923	3.9
66.23965	3.8
67.05181	4.8
67.05509	83.9
69.07069	30.8
69.28865	3.5
69.29172	32.5
71.04993	4.1
71.08613	3.9
73.06525	3.1
79.05493	45.2
81.07056	100.0
83.04944	4.6
83.08625	15.2
85.06542	5.7
89.06046	31.0
91.05484	19.7
93.07041	41.5
94.11806	2.8
95.04945	4.3
95.08614	79.7
97.06504	6.2
97.10155	10.4
98.20706	5.7
99.08100	4.4
105.07047	16.9
107.08602	26.7
107.20238	3.5
109.10158	43.8
111.08105	3.5
111.11706	5.1
111.39795	3.8
117.06989	6.1
119.08602	19.4
121.10140	35.0
123.08130	4.3
123.11709	18.8
123.12447	3.3
125.09641	4.1
129.06900	4.2
131.08545	11.3
133.08646	19.7
133.10165	17.0
135.08075	3.7
135.11696	22.8
137.13254	8.0
139.11150	4.3
139.73392	3.4
145.10172	15.6
147.11682	15.6
149.09633	4.3
149.13278	13.4
151.11226	6.6
153.12695	4.5
159.11690	8.8
161.13219	9.5
163.14748	3.8
165.12801	4.0
173.13240	13.5
175.14775	4.5
177.11211	4.8
177.16470	4.3
179.14305	7.4
181.12119	3.5
187.14882	7.7
223.17043	3.4
243.21056	13.5
261.22134	27.5
279.23215	85.2
292.78091	3.5
297.24280	26.5
301.15109	3.6
397.73685	3.8
415.25211	13.8
539.44403	7.9
557.45758	16.2
575.46539	9.5
610.45062	4.5
628.26996	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	628.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45457	5.3
53.03941	6.2
55.05511	23.2
57.07069	9.0
65.33556	5.9
67.05509	65.2
69.07079	29.2
69.28348	8.6
69.28758	43.4
71.04985	23.2
79.05502	27.6
79.40280	5.1
81.07062	86.9
83.04965	6.8
83.08611	13.6
85.06527	12.9
91.05485	26.4
93.07058	47.1
95.04974	7.4
95.08614	39.0
97.06522	15.3
97.10160	11.1
99.08091	11.5
102.54185	5.7
104.70524	5.5
105.07037	25.8
107.08628	27.1
109.10155	23.4
115.07603	5.5
118.06535	7.6
119.08581	19.5
121.10147	36.3
123.11748	9.7
125.09647	12.9
131.08551	13.4
133.10141	18.3
135.11705	36.5
145.10091	8.5
147.11691	13.1
148.26007	5.6
149.13283	8.8
151.11259	5.6
155.10841	5.1
157.10008	6.1
159.11705	9.1
161.13231	7.6
162.09164	5.6
173.13278	8.8
177.12885	7.3
187.54631	5.9
189.11244	5.7
195.13760	10.5
206.32079	5.8
217.19380	9.2
230.15443	13.0
235.20662	14.1
253.21613	25.7
259.20544	22.1
267.16049	6.4
271.22787	11.1
277.21674	100.0
292.19119	39.0
295.22729	98.9
313.23837	29.7
349.23560	7.9
465.22409	5.5
494.17676	6.2
495.33041	18.6
517.35345	12.1
565.44214	9.4
610.45410	9.2
628.35968	9.4
628.45911	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2745
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
55.01865	1.7
55.05531	3.5
56.96568	2.4
58.99595	1.8
61.02903	0.7
67.05512	5.0
67.47473	0.7
68.98505	0.6
69.03437	1.3
69.07062	3.6
70.06586	0.8
71.04983	1.1
74.00666	4.2
76.02233	2.9
76.04007	1.2
78.36192	0.6
78.36927	0.6
79.05496	7.5
80.05029	1.1
81.03426	1.8
81.07062	10.3
83.04993	1.4
83.08627	1.3
84.04456	0.7
85.01169	0.7
85.02897	1.8
85.04023	1.7
86.99069	0.9
91.05485	7.9
91.37794	0.7
93.07059	7.3
94.06635	0.7
95.01337	1.7
95.04977	4.2
95.08620	5.1
97.01096	1.5
97.02904	1.5
97.06551	1.6
98.97589	3.4
99.02697	1.1
100.02212	0.8
103.05487	1.6
105.07030	11.1
107.04979	2.6
107.08595	3.6
109.06540	2.5
109.10219	1.3
111.02707	3.3
112.02183	3.1
112.99158	2.1
113.04247	1.7
114.03776	6.2
116.01675	3.2
116.98681	1.5
117.07029	4.6
119.08583	6.9
121.06512	7.3
121.10149	2.8
122.06857	0.9
123.02644	0.9
123.04465	0.8
123.08102	2.5
123.11691	1.0
124.03486	2.1
125.04233	2.8
126.03732	1.1
127.03943	0.9
128.06244	0.8
129.07025	2.0
130.05037	0.9
131.00200	2.8
131.08575	7.1
133.06569	1.8
133.10164	4.2
135.08037	1.5
137.04218	8.6
137.05965	0.9
137.09674	0.9
138.03732	1.0
139.05850	0.7
141.06985	1.1
143.00217	1.1
143.08519	3.4
144.01155	0.9
145.06471	0.8
145.10135	4.3
147.08066	1.7
147.11723	2.5
149.01237	1.9
149.04202	2.0
149.09659	0.8
151.03888	1.1
151.05800	4.2
151.11215	0.7
155.03386	0.7
155.05312	2.3
155.08557	1.5
157.06453	0.7
157.10172	2.2
158.99641	1.3
159.08104	1.7
159.11690	1.8
161.04262	1.4
161.09660	1.4
162.02219	1.9
163.03943	2.1
163.05765	1.7
163.11281	1.1
164.07083	1.1
165.07361	2.6
171.08076	0.9
171.11674	1.7
173.06073	0.9
175.05826	0.8
175.11224	0.9
177.00737	1.4
177.03372	1.8
179.04895	1.5
179.08765	1.0
183.11699	1.1
185.01198	0.8
185.09743	1.2
187.05893	0.9
187.07574	0.8
187.11235	0.9
191.10576	1.0
199.11234	1.3
201.09189	0.7
203.10744	0.7
203.14412	0.8
207.13867	1.6
211.11191	1.2
213.12787	0.7
215.04843	0.8
215.14378	0.8
221.15349	1.0
229.12250	0.7
257.11566	0.7
264.14218	2.2
275.12888	1.4
275.20117	1.4
282.15189	3.3
287.20047	1.2
289.16360	4.0
289.21664	0.9
290.06808	0.9
293.05505	1.5
293.13837	1.0
307.17288	13.9
308.18015	0.7
311.15195	0.9
315.16550	2.1
317.12219	0.8
319.17392	0.9
325.16443	0.9
333.17297	5.2
334.15085	0.7
351.18457	2.5
353.16199	0.9
367.17261	0.9
385.18124	3.9
387.16428	1.1
393.19244	1.3
405.18176	0.7
417.67130	0.7
431.20566	1.2
433.22528	1.5
440.17407	0.9
445.91684	0.7
447.18561	1.8
448.19882	1.8
449.20367	3.3
451.23322	4.3
453.24231	2.1
458.18472	4.7
465.19528	7.0
483.20432	3.6
526.24835	2.1
536.23547	1.2
560.20306	4.0
569.26422	6.2
570.26599	0.6
611.17792	0.5
611.26276	12.0
629.27374	100.0
630.28235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01871	1.4
55.05494	0.7
56.96585	3.9
60.08154	2.3
67.05494	1.3
69.07062	1.1
70.35863	2.8
71.07344	0.9
73.27302	0.7
79.05518	0.7
81.07042	2.5
83.05015	0.8
86.09728	6.8
87.10040	1.2
91.05479	7.4
93.07050	9.5
95.04958	1.8
95.08616	1.6
98.97602	3.9
98.98460	1.5
103.05464	7.1
105.04487	1.0
109.10163	0.9
115.05454	1.3
116.98631	3.0
117.07024	2.5
118.05689	1.7
118.06551	29.5
121.06517	65.3
121.10138	1.2
124.57564	0.7
125.00016	6.1
130.06548	2.6
133.10139	1.0
133.11734	0.8
135.31824	0.7
138.05527	1.3
139.11624	0.7
142.06523	2.4
143.07307	3.2
144.08087	21.9
146.06020	87.9
150.05507	10.4
160.07643	1.6
163.03998	0.8
164.07086	9.5
169.07654	1.8
170.06013	6.7
184.07376	22.5
185.07658	2.9
188.07082	100.0
192.06621	0.9
202.12189	1.2
208.06105	1.3
215.08179	2.2
218.11700	0.9
220.13341	1.0
230.11728	4.6
244.13248	1.0
248.12831	12.3
250.07352	0.9
262.14343	11.0
270.11316	4.0
290.13910	1.7
306.13489	1.8
337.11908	2.0
351.13388	8.4
368.18604	8.0
373.70468	0.8
410.19781	1.2
435.19205	18.7
442.22305	1.2
449.20734	20.8
457.17731	6.3
477.20251	24.8
509.22733	1.3
510.29340	2.4
527.30322	1.0
528.30615	6.5
531.21375	3.8
544.33881	0.8
546.32452	4.1
551.32336	1.0
555.24945	46.4
556.25201	0.9
563.32324	1.0
564.32867	6.1
569.33588	1.6
587.34064	1.1
588.32971	6.0
597.26215	7.1
606.33997	7.4
629.28284	3.2
629.37793	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55181	0.3
55.01873	0.5
57.07059	0.9
65.07368	0.3
67.05496	0.8
69.03448	1.5
69.07074	11.7
69.25205	0.6
69.25612	3.0
70.02929	0.4
70.06568	0.6
71.08624	1.4
73.54317	0.3
74.02449	9.1
81.07054	1.0
83.04967	1.0
86.09711	34.9
88.03989	0.5
91.05465	1.2
92.05055	0.3
93.07044	2.0
95.04962	0.5
95.08594	0.4
97.02910	0.8
97.06551	3.0
98.20741	0.6
98.97561	0.4
103.05450	1.4
105.07070	0.3
105.39143	0.3
107.07350	0.3
107.08600	0.5
108.08059	0.3
109.10212	0.3
112.07619	1.6
117.07040	0.3
119.08583	0.7
120.04499	0.8
120.08147	0.4
121.06515	8.5
126.09158	1.1
130.08635	5.1
132.10213	10.2
132.11739	0.4
133.10106	0.3
137.05974	1.5
140.14267	0.3
145.10107	0.4
147.04442	0.4
147.11694	0.5
148.03923	1.0
151.06273	1.1
151.07404	0.4
152.07074	2.4
153.05511	0.5
162.05585	0.3
164.07071	1.1
166.05016	3.6
167.07048	0.8
177.05391	0.4
178.08690	0.6
180.06569	64.1
181.06934	0.4
182.15382	1.0
190.05011	0.6
204.06595	0.5
208.06120	1.7
209.04454	0.3
222.07625	22.1
228.15907	0.4
286.10605	0.5
287.05573	0.6
328.11771	1.0
391.22495	0.6
403.22385	0.9
407.16785	0.5
407.21783	6.7
409.49011	0.3
435.21338	1.3
449.22864	100.0
450.23199	1.2
555.27051	8.9
569.28186	0.5
587.29437	0.9
629.33795	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.01875	0.8
55.05519	0.5
57.07073	0.7
67.05507	0.8
69.03430	0.5
69.07074	11.2
69.21396	2.2
70.06617	0.3
71.08640	1.0
72.04526	0.5
73.06561	0.2
74.02442	3.1
79.05479	0.4
79.17465	0.2
79.75912	0.2
81.07062	1.0
83.04981	0.4
83.08627	0.7
84.04517	1.3
84.08167	0.4
85.02914	0.8
86.09712	40.7
86.22016	0.2
88.04002	0.3
91.05483	1.3
93.05869	0.2
93.06562	0.2
93.07054	1.4
94.00210	0.2
95.05003	0.4
95.08614	0.5
97.02921	0.3
97.06548	3.0
97.10213	0.5
103.05492	1.0
105.07015	0.3
107.05014	0.2
107.08624	0.4
109.10161	0.4
111.11729	0.3
112.07648	0.6
114.09158	0.3
119.08595	0.4
120.04476	0.4
121.06510	7.5
121.10145	0.3
123.11745	0.3
125.13261	0.2
126.09168	1.0
130.08662	1.7
132.09200	0.5
132.10210	9.3
135.11745	0.3
137.05975	0.5
140.10719	5.5
145.02852	0.2
146.06000	0.3
147.04445	0.3
147.11707	0.5
148.03975	0.7
151.06310	0.9
152.07103	1.7
154.15927	0.3
162.29747	0.2
164.07095	1.1
165.12791	0.4
166.05023	2.9
167.07095	0.4
168.10265	0.2
176.07077	0.3
177.05528	0.4
178.08673	0.7
180.06567	58.7
182.15439	1.5
190.05042	0.4
194.08183	0.5
200.16504	0.3
208.06119	1.7
222.07629	18.7
228.16023	0.6
253.14514	0.2
269.28372	0.4
270.28775	0.6
273.06274	0.2
286.10815	0.5
294.13461	0.3
328.11884	0.6
361.21237	1.7
391.22287	0.3
393.20181	0.9
403.22272	1.8
407.21799	13.7
435.21368	1.9
449.22855	100.0
450.23102	1.3
513.25934	0.4
555.27063	8.7
569.28296	0.3
587.29614	0.6
629.30774	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72958	0.5
52.88132	0.5
67.05483	0.7
68.95193	0.5
69.07067	0.6
71.58789	0.9
73.67776	0.5
74.17368	0.5
82.69268	0.6
92.14631	0.5
93.07068	0.6
95.08601	1.4
109.04564	0.5
109.10210	0.5
119.08596	0.6
133.10115	0.5
133.54457	0.6
135.11653	0.9
145.46075	0.5
159.11729	0.7
181.54016	0.5
191.03276	0.6
206.05533	4.8
207.06361	2.4
445.25708	1.1
629.32977	100.0
630.33771	1.2
657.61908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
61.54258	0.4
67.05503	1.1
69.34692	3.0
79.05516	0.7
81.07059	1.3
91.05496	0.6
93.07073	0.7
95.08626	1.1
105.07053	0.7
107.08621	0.5
119.08592	0.6
119.41926	0.4
123.16976	0.4
133.10150	0.5
159.11679	0.6
197.91640	0.4
242.77428	0.4
366.35123	0.4
538.53186	0.4
611.44757	0.6
629.43927	100.0
630.44220	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
67.05508	0.7
71.27250	0.5
79.05524	0.5
81.07068	0.7
86.00182	0.2
91.05492	0.6
93.07064	0.7
95.08604	0.7
97.81071	0.2
105.07018	0.5
107.08610	0.7
119.08582	0.4
121.10160	0.3
130.35855	0.3
143.08572	0.3
145.10129	0.3
149.09566	0.3
322.96613	0.3
335.22009	0.8
414.66879	0.3
488.41470	0.3
599.42694	0.3
611.45599	0.6
629.43921	100.0
630.43927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84113	0.3
51.74402	0.2
55.05519	0.6
57.03441	0.6
57.07076	1.2
59.07608	0.3
64.13667	0.2
67.05508	0.7
67.68398	0.3
69.07063	0.4
71.08641	1.1
71.47129	0.5
75.55782	0.3
77.23403	0.3
79.05489	0.6
81.07072	1.0
83.08646	0.4
85.10201	0.3
91.05477	0.5
93.07061	0.7
95.08607	1.0
103.39151	0.3
107.08664	0.2
109.10174	0.6
111.95813	0.2
147.11768	0.4
206.66158	0.3
299.19977	0.4
313.27380	0.8
317.20959	3.2
346.63062	0.3
373.23511	3.1
391.61664	0.3
423.07669	0.3
468.15759	0.3
494.13434	0.3
561.50677	0.3
629.47546	100.0
630.47778	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66014	2.1
53.03940	5.8
55.05511	22.4
57.03444	10.8
57.07067	8.9
64.89703	2.0
65.03928	5.0
67.05507	68.7
67.05872	3.6
69.07073	19.4
70.51543	2.2
71.04998	2.9
71.08634	39.2
71.09169	4.3
75.68604	2.0
79.05495	66.8
81.03427	4.9
81.07060	77.4
83.04983	8.4
83.08610	13.0
85.06544	4.2
86.41707	1.8
89.06043	5.1
91.05483	48.2
91.11703	1.9
93.07050	76.9
94.07370	2.6
95.04979	11.0
95.08604	51.0
97.01002	1.8
97.06520	7.7
97.10168	8.4
99.08086	29.8
105.04495	2.6
105.07029	27.4
107.04931	6.0
107.08601	43.5
109.06506	5.7
109.10167	17.8
111.08068	3.3
111.08769	1.9
113.09659	2.8
117.07015	10.7
119.08570	24.7
121.10152	29.6
123.08101	3.4
123.11689	4.5
125.09663	2.7
129.06996	7.8
131.08568	20.7
133.10147	20.2
135.08092	2.9
135.11679	29.8
137.09605	3.1
141.09042	2.8
143.08589	7.6
145.10120	17.1
147.11674	12.6
149.09680	2.9
149.13278	13.5
151.11179	11.4
155.08618	2.9
157.10167	4.6
159.11736	9.5
161.13312	16.7
163.11224	6.4
163.14838	5.8
169.10156	2.7
171.11708	5.6
173.11812	2.6
173.13261	6.1
175.11392	2.3
175.14746	3.6
177.12801	5.1
177.16461	3.1
179.14325	56.8
185.13268	6.1
186.97427	2.5
199.14825	3.0
201.16428	3.4
219.17378	5.8
220.17766	3.4
221.15601	2.2
229.58810	2.0
235.16891	3.6
241.19460	4.1
243.21100	12.0
259.20581	4.6
261.22125	14.8
275.19992	2.4
276.20721	2.8
277.21631	55.7
291.19562	4.9
295.22662	7.1
317.24698	11.5
335.25812	56.4
336.26474	2.3
351.25305	42.6
430.18515	2.0
439.35580	4.3
457.36807	2.2
466.63748	2.5
513.39282	6.9
515.37103	7.2
529.39258	2.4
611.46667	100.0
612.46399	3.0
629.38275	3.2
629.47784	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	630.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69283	0.1
53.03959	0.2
55.05498	0.2
65.03922	0.9
67.05514	0.1
71.54312	0.2
72.91681	0.1
79.05486	0.2
80.06304	0.1
81.03420	0.2
83.04972	0.4
84.04501	1.4
85.02908	0.3
91.05485	19.0
93.03423	0.2
93.07040	0.3
95.04974	2.6
97.02864	0.3
98.65901	0.1
101.07156	0.3
107.04937	0.4
119.04950	16.0
121.02864	0.4
121.06497	0.6
123.00787	0.5
123.08054	0.4
130.05011	0.5
135.04431	0.3
136.04218	0.2
136.05211	2.0
137.05981	1.3
140.10786	0.1
145.02905	0.2
147.04446	0.2
149.02368	1.1
151.07550	100.0
152.07880	0.6
153.05418	0.2
155.03313	0.2
163.03937	0.2
167.03400	0.5
167.07065	1.5
168.07423	0.7
177.05460	0.2
179.07010	0.3
180.06561	1.5
181.04965	1.6
191.03453	0.8
193.08586	0.5
209.04448	0.2
219.84113	0.2
222.07622	0.5
223.06020	1.8
265.07196	0.3
331.11624	0.2
359.11319	0.9
433.14487	0.3
450.18719	2.9
630.43231	0.2
631.28967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
56.05036	6.9
56.96571	0.9
57.03453	0.8
58.06604	10.2
59.04984	0.7
59.66072	0.8
68.05025	2.9
69.03434	1.1
70.06597	81.3
71.04989	2.9
71.55946	1.1
71.64489	0.8
72.08157	3.0
80.04996	0.8
82.06590	1.9
84.08147	32.9
85.02912	5.7
86.06075	12.4
87.04494	0.8
91.05487	7.4
93.07056	12.2
94.06564	2.1
95.04969	1.8
96.04513	1.4
96.08138	17.8
97.07657	1.1
98.09697	23.0
98.97560	1.6
100.07616	0.8
103.05491	5.7
105.04487	1.0
105.07014	1.3
108.08095	0.8
112.07627	4.8
114.05538	41.9
114.09200	1.3
115.12321	4.2
116.98579	0.9
118.06560	2.3
119.07363	0.8
120.08073	1.3
121.06516	100.0
122.06046	0.7
122.06832	0.8
122.09675	1.0
124.07596	1.7
125.07148	1.9
125.10769	2.9
127.12330	2.9
128.07086	15.9
129.05487	1.1
140.07091	1.3
141.10257	2.1
142.08644	26.7
146.06050	2.9
152.07126	1.0
152.08257	0.8
153.13873	1.3
160.07527	0.8
163.03922	0.8
164.07051	4.8
165.07901	1.0
166.08679	2.8
169.09767	2.4
171.11317	2.9
171.14946	2.3
177.00830	0.7
178.08647	8.9
179.09348	1.5
180.10208	25.8
181.13252	0.6
186.07657	9.2
190.08652	1.4
192.10175	1.0
197.12866	18.9
199.14418	0.9
204.10236	2.1
206.08160	1.7
212.10265	1.8
215.10286	1.8
215.13866	0.9
217.12332	0.9
219.01781	0.9
221.12860	2.3
222.11359	0.9
223.10739	0.7
224.09280	0.8
225.12341	1.5
233.12767	0.8
235.13330	0.8
238.10829	2.3
241.11832	6.5
243.13416	33.4
247.10736	0.7
253.14413	1.9
258.19666	0.7
269.11060	0.7
272.12860	0.9
284.13013	1.1
285.10861	2.2
289.16565	1.5
300.16046	3.8
303.05005	4.2
314.14023	0.9
316.16376	1.1
326.17578	1.9
328.15677	2.3
334.17560	6.4
344.14941	2.1
355.20065	0.9
358.16513	47.7
359.16714	0.7
360.15567	1.8
368.66470	0.8
371.19629	0.9
377.01895	3.3
378.20059	3.6
381.21695	0.7
395.02792	0.8
397.21338	1.9
399.03732	0.7
402.15308	1.4
406.19760	71.0
432.17612	11.4
434.19238	1.9
438.27737	1.3
440.21924	1.7
476.08060	1.3
478.17758	0.9
482.26602	3.0
484.24387	0.8
495.33319	0.8
499.18298	0.7
510.26251	0.8
512.23975	25.1
526.25531	2.1
538.21710	1.5
554.24823	1.1
570.24554	0.8
630.21954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41631	0.5
55.05508	1.0
56.96562	0.7
57.07076	6.3
58.06581	1.9
65.03938	1.6
68.05037	0.5
69.07070	1.1
70.06200	0.9
70.06595	17.9
70.14862	0.5
71.08642	1.2
71.57966	0.8
78.48200	0.6
81.07063	0.6
85.10182	1.0
86.09714	1.5
88.07634	22.9
93.07049	0.7
95.08619	0.9
102.09186	15.7
103.05444	0.8
105.03418	1.4
105.38612	0.5
121.02910	1.0
121.06550	0.6
121.10170	0.6
124.45928	0.5
131.04977	0.5
133.10033	0.7
137.06042	0.6
139.03967	0.6
147.04419	1.2
148.07596	1.0
149.02357	51.2
149.03400	2.8
175.03976	1.0
177.05525	1.4
180.06596	2.1
181.06856	0.7
193.04976	55.1
194.05515	1.0
219.06567	1.7
228.23242	44.7
237.07593	12.4
241.00250	0.7
269.04480	1.6
272.25891	1.1
297.04031	2.2
306.15274	0.7
313.07098	2.4
341.06570	9.9
343.08237	0.6
359.07608	6.9
385.09174	19.5
386.09723	0.6
397.02231	0.8
403.10156	0.6
407.82111	0.6
429.11859	25.0
449.22821	0.9
450.23196	2.5
451.16733	0.6
533.11090	0.6
589.06555	3.1
607.07715	7.9
612.31732	1.2
630.10211	1.9
630.32770	100.0
631.32837	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	631.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59318	2.4
55.05510	4.6
65.31085	2.6
67.05513	10.2
69.07062	6.4
71.57922	2.8
79.05512	4.9
81.07056	11.9
90.81247	2.9
91.05486	4.0
93.07049	6.6
95.08603	8.2
105.07053	9.3
107.08604	4.2
109.10194	3.3
119.08566	3.6
123.11704	2.5
149.09648	3.3
228.11455	2.8
261.61008	2.4
307.06000	3.0
314.20804	2.7
508.18365	3.4
511.24606	9.8
522.20282	7.7
533.25958	3.2
537.22620	94.3
549.77167	3.1
555.23743	44.5
569.25250	4.5
581.21545	21.3
587.26263	39.9
613.24225	34.9
613.48248	3.6
631.25372	100.0
631.48022	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	631.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67085	0.4
55.01877	0.8
55.05515	5.0
56.96548	0.7
57.05799	0.3
57.07059	0.4
60.85989	0.3
62.11213	0.4
65.03911	0.6
67.05502	0.9
69.03404	0.6
69.06728	0.5
69.07069	8.7
69.84978	1.5
69.85387	0.6
70.06586	0.7
71.08621	0.4
72.08158	40.1
74.02430	0.7
79.05480	0.9
81.03412	0.4
81.07043	1.7
85.02887	1.1
85.06527	0.5
86.09707	1.2
91.05480	3.8
93.07048	1.4
95.08602	1.1
96.08096	0.5
97.02882	1.5
97.06552	2.0
98.06055	3.7
98.97586	1.5
103.05479	0.7
103.16640	0.4
105.07030	0.8
107.08565	1.0
109.10130	0.8
116.07101	2.9
117.03342	0.4
118.08659	8.6
119.04926	1.6
119.08568	0.8
120.04479	0.5
121.06509	2.4
121.10134	0.6
123.11716	1.1
126.09163	7.4
131.08539	0.4
133.10132	0.7
137.05980	5.2
143.00166	0.4
145.02831	1.2
145.10048	0.5
146.06015	1.2
147.04456	0.5
148.03911	0.9
149.05997	0.5
151.06293	0.8
152.07051	1.4
153.01787	0.6
154.08748	0.4
159.11743	0.4
164.07059	1.2
166.05023	4.0
166.63054	0.4
168.13846	3.0
173.13351	0.5
177.05484	2.5
180.06560	56.5
181.06856	0.9
187.13371	0.4
190.04979	0.5
194.08133	0.9
204.06674	0.6
208.06050	1.3
214.14355	0.6
217.69612	0.5
219.01703	0.8
222.07625	19.1
237.02914	0.7
245.08217	0.5
258.05255	2.1
286.04739	6.4
287.05453	2.1
298.19193	0.4
299.13708	0.5
301.07071	20.4
302.10330	0.5
337.17026	0.5
344.11386	0.6
345.14648	0.5
347.19550	1.0
379.18628	1.2
389.20578	1.3
393.20203	14.7
409.16159	0.4
421.19696	2.0
433.32986	0.5
435.21283	100.0
436.21774	1.7
439.19992	0.8
450.19016	0.6
451.18661	1.6
515.24316	0.5
557.24890	8.8
571.24323	4.0
589.27551	1.0
599.24976	0.6
613.25378	0.6
631.29352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.7
57.07087	3.0
65.03941	0.3
67.05487	0.4
69.03435	1.2
69.07077	3.3
69.46068	1.3
70.06582	1.3
71.06922	0.2
72.08153	0.7
74.02445	11.6
79.96769	0.2
81.07028	0.4
83.04987	3.8
85.02929	0.3
86.09710	21.3
88.03995	1.1
91.05492	2.8
93.03487	0.2
93.07025	0.3
95.08612	0.3
97.02866	0.3
97.06516	0.3
98.06048	0.4
105.07104	0.2
107.07361	0.3
108.16570	0.2
109.10145	0.4
112.07607	3.7
116.07066	0.9
119.04945	1.0
120.04421	0.6
121.05235	0.3
121.06506	0.6
121.10080	0.3
122.05997	0.2
128.72685	0.2
130.08653	7.2
132.10222	5.5
133.10124	0.2
136.07590	0.3
137.05988	4.6
138.05492	0.2
138.06578	0.3
140.14346	0.3
146.06032	0.4
148.03897	1.4
151.06267	0.7
152.07080	2.2
153.07289	0.2
162.05421	0.2
164.07063	1.3
166.05006	4.2
168.13892	0.5
176.07068	0.4
177.05478	0.6
178.08653	0.4
180.06566	63.7
181.06876	0.8
182.08138	0.4
190.05000	0.5
194.08194	0.6
195.08755	0.9
204.06667	0.3
208.06061	1.6
222.07629	22.6
287.05499	1.2
302.10187	0.5
344.11356	0.8
347.19681	0.8
379.18558	0.6
389.20523	1.1
393.15094	0.5
393.20230	10.6
421.19647	1.6
433.19791	0.3
433.32706	0.2
434.19839	0.4
435.21283	100.0
436.21536	1.3
451.16934	0.9
463.20291	0.2
469.33313	0.6
495.23105	0.3
515.24530	0.4
557.24976	9.8
571.25598	0.3
580.56714	0.2
589.27496	0.8
627.03668	0.3
631.28693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05524	4.7
57.07077	2.3
67.05514	8.7
69.03438	9.6
69.07074	7.8
70.86648	2.4
70.86982	2.4
79.05502	9.5
81.03419	3.6
81.07065	14.0
83.05004	6.9
83.08628	1.7
91.05476	9.4
93.07047	11.6
95.04986	4.2
95.08622	16.2
97.06560	2.6
99.08144	2.0
102.62067	1.2
105.07047	12.4
107.04978	5.7
107.08603	35.3
109.06533	8.5
109.10175	17.2
111.08142	1.3
115.05485	2.8
117.07042	2.7
119.08591	6.7
121.06536	3.4
121.10159	29.5
122.07319	5.2
123.08083	4.3
123.11740	2.9
125.05981	1.6
125.09668	6.0
127.03854	1.4
131.08595	6.5
133.10141	100.0
135.08064	15.8
135.11736	5.1
137.09625	55.5
139.11237	2.6
143.08577	1.9
145.10156	3.1
147.11719	8.3
149.09674	6.7
149.13261	19.3
151.11191	40.5
151.12347	2.5
153.09085	1.5
158.10934	1.6
158.51740	1.3
159.11676	2.2
161.09628	1.4
163.14882	10.8
165.12851	3.7
173.13268	15.2
191.14317	84.7
209.15372	42.0
221.15436	1.6
537.22717	5.4
555.23895	4.1
581.21588	10.3
587.26740	4.3
599.23132	3.7
613.24139	3.8
631.25360	43.8
631.40924	2.2
632.25269	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	0.9
56.96493	10.7
56.96801	1.2
67.05427	3.4
69.07006	0.9
70.74213	1.6
71.95174	2.1
79.05414	2.1
79.56181	0.8
81.03329	2.8
81.06975	2.1
82.31514	0.7
84.95990	1.6
91.05430	1.5
93.06977	1.6
95.08564	1.8
98.97504	2.1
102.92610	3.5
107.08549	1.0
109.02802	2.5
109.10104	1.0
110.97575	3.4
118.92076	5.4
119.04841	0.8
128.98595	4.3
133.10051	0.7
136.93127	52.8
139.00563	0.8
141.23465	0.6
143.00069	2.1
146.99600	0.9
147.04318	1.0
154.94174	90.0
155.00066	0.9
161.01207	0.8
171.03140	0.8
172.95244	78.4
177.95784	7.4
178.94138	1.4
182.93690	0.8
182.99591	2.3
185.13425	0.7
190.96306	17.0
192.95738	4.6
195.96831	7.1
196.95152	3.0
201.00641	2.3
203.05869	1.0
210.96800	20.6
212.94676	1.3
212.98297	1.3
213.97896	1.4
214.96182	3.0
222.96689	1.7
226.96222	1.1
228.95705	1.6
228.97870	27.2
233.98314	2.2
238.96208	2.0
240.97758	1.7
246.98869	3.3
251.99333	2.1
262.96249	2.5
265.05441	0.7
280.97345	6.2
290.86395	1.2
298.98508	22.7
308.39218	0.7
308.87561	1.7
315.16187	1.6
316.99463	22.3
317.17883	55.7
321.99908	2.0
333.17255	2.1
335.15060	1.2
335.18982	16.2
335.25803	2.1
340.01111	2.2
358.20435	5.5
360.62439	0.8
373.02231	1.6
391.21484	1.8
397.14496	6.0
453.17166	75.7
454.17178	1.3
457.10394	5.7
457.60751	1.2
471.18237	100.0
489.19330	8.2
494.19788	17.2
521.18817	0.8
541.18561	2.3
559.19666	1.0
615.22620	2.3
633.23541	78.9
633.32813	8.7
634.23926	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32662	0.9
52.63519	0.8
55.05508	0.9
56.96562	11.8
67.05508	1.8
70.74367	1.7
71.95250	2.0
79.05502	1.3
81.03405	2.7
81.07059	1.7
84.96027	1.5
91.05481	1.5
93.07039	2.0
95.05002	1.2
95.08603	2.2
97.96803	1.2
98.97590	1.6
102.92629	4.0
105.07014	1.0
107.08628	1.3
109.02891	3.4
109.10201	1.0
110.97606	3.7
118.92074	7.3
119.08533	1.0
121.06495	0.9
121.10189	1.6
127.35025	0.8
128.98604	3.6
136.93121	59.1
139.00710	0.8
143.00142	0.9
146.99568	1.6
154.94174	92.9
171.03365	1.5
172.95242	82.4
177.01108	0.8
177.95761	7.0
178.94179	1.7
182.99678	2.1
183.03577	1.0
190.96277	18.0
192.95847	3.8
195.96860	9.9
196.95294	5.2
198.96761	1.0
201.00722	1.9
210.96814	21.8
213.97874	1.8
214.96306	2.5
222.96881	1.5
228.97855	24.6
233.98384	2.5
238.96483	2.5
240.97906	1.2
246.98976	3.8
251.99506	2.4
256.97336	1.2
262.96341	2.8
277.11270	1.0
279.12854	1.5
280.97278	7.9
298.98480	24.9
308.87671	1.6
315.16403	1.0
316.99435	21.0
317.17883	63.5
318.18262	1.2
322.00089	2.6
333.17322	2.2
335.18918	16.7
335.25620	1.6
340.01178	1.7
355.19373	1.2
358.20499	7.2
373.02133	2.9
391.21512	1.2
397.14566	4.9
448.09827	1.1
453.17157	80.5
457.10355	6.4
471.18234	100.0
472.18640	1.5
489.19177	6.8
494.19806	21.1
538.26569	1.3
541.18750	2.2
559.19891	1.4
615.22101	1.8
633.23553	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79040	1.3
54.79830	1.2
55.05506	1.7
56.96570	12.3
60.80668	1.2
67.05506	4.2
69.07080	2.5
71.59237	1.6
79.05502	3.5
81.03391	2.9
81.07081	6.4
83.08639	1.2
84.96063	1.4
85.02910	1.6
89.03883	1.2
91.05489	4.2
92.70576	1.2
93.07047	5.0
95.08591	6.7
97.06517	1.5
98.97601	1.5
99.08131	1.3
102.92639	3.5
105.07063	5.7
107.04990	1.4
107.08595	5.7
109.02901	2.3
109.10160	2.5
110.97594	2.3
117.07011	1.9
118.92090	4.9
119.04970	1.9
119.08602	5.4
121.02886	7.0
121.10172	4.8
123.11689	2.3
128.98642	4.0
131.08554	2.9
133.10190	4.6
135.04477	2.3
135.11751	2.2
136.93121	37.4
136.94118	2.6
143.08662	1.7
145.10132	3.7
146.99580	1.7
147.03394	1.3
147.04376	6.8
147.11722	3.6
149.13290	1.5
154.94173	78.1
157.10181	2.4
159.11670	3.0
161.13300	3.1
161.75641	1.5
163.03897	11.5
171.11713	2.4
172.95250	81.9
173.13310	2.5
175.14880	2.0
177.95789	7.2
178.94263	1.8
181.04987	3.0
181.12212	1.5
182.99696	1.9
185.13309	1.9
187.14816	3.1
189.16431	3.6
189.57739	1.3
190.96274	26.3
192.95860	2.5
195.11662	1.2
195.96877	9.2
196.95274	2.9
197.13225	1.6
201.00780	2.5
201.16412	2.9
203.18024	1.6
210.96799	17.8
212.98428	2.4
213.16429	1.7
213.97885	2.5
214.96346	4.1
215.18056	1.3
221.15433	2.7
222.96843	1.3
228.97852	28.0
233.98364	1.7
235.17142	1.6
238.96552	1.8
240.98051	2.2
246.99008	3.9
251.99483	2.1
261.97983	1.2
262.37033	1.2
262.96304	2.5
280.97385	6.8
298.98553	21.2
316.99503	20.1
317.17905	55.9
322.00052	3.6
333.17438	2.2
335.18909	17.2
335.26056	1.6
340.01172	1.8
358.20673	7.1
391.21713	2.2
397.14667	5.5
414.68661	1.3
435.32724	3.1
453.17172	70.7
457.10361	2.3
471.18259	100.0
489.19238	6.7
494.19888	23.3
507.55969	1.4
541.18408	2.1
569.41180	1.4
632.43127	1.7
633.23608	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
56.05039	3.9
61.01126	1.9
63.77404	0.4
64.57443	0.4
65.03913	1.9
65.04213	0.4
67.05505	1.0
67.05833	0.4
69.03402	1.1
69.07045	1.6
69.70383	2.9
70.06553	0.8
70.62871	0.4
74.02418	1.3
79.05462	1.7
81.07058	2.7
83.04977	0.5
84.08098	0.5
85.02867	1.3
85.98755	0.4
86.09227	0.6
86.09710	9.7
87.25122	0.4
91.05484	23.4
92.86885	0.6
93.07018	2.0
95.04944	0.5
95.08579	2.0
97.02871	1.4
98.97566	0.8
102.05534	0.9
104.05302	0.9
105.07024	1.8
106.06528	0.5
107.04920	0.6
107.08572	1.4
109.06502	1.6
109.10136	1.9
112.11247	7.4
117.03353	0.6
118.06537	0.5
119.04948	10.2
119.08535	1.7
120.90234	0.4
121.06457	1.0
121.10132	1.5
127.03960	0.5
130.08575	0.6
131.08568	0.6
132.04451	2.8
133.03143	0.8
133.05251	1.1
133.10091	0.8
134.05984	0.9
135.11670	0.7
137.05981	43.4
145.02856	2.2
145.10080	0.7
147.04413	1.4
147.11676	0.8
148.07623	0.7
149.05997	0.9
152.07028	1.0
157.10168	0.7
158.11786	1.1
159.11668	0.7
160.03937	1.3
161.04788	0.7
162.05492	1.3
163.03847	1.1
164.07053	1.6
166.05011	8.9
170.11751	1.8
171.11647	0.5
173.13271	0.9
175.14748	0.8
176.07108	0.7
177.05452	3.9
180.06558	22.9
187.14816	0.6
192.06531	0.9
204.06573	2.0
206.04491	46.2
208.06114	1.9
218.08107	2.5
220.06052	98.9
221.06358	0.9
222.07637	6.6
232.06084	0.9
234.07491	1.1
246.07689	1.1
248.05547	26.3
248.88420	0.5
260.80453	0.5
262.07117	66.8
262.89844	0.5
273.06381	0.4
287.05316	0.5
291.13406	1.0
302.10223	0.7
305.15012	2.5
317.14789	1.3
331.16617	2.7
337.13907	1.5
342.09680	6.7
344.11194	0.7
351.15469	3.1
363.15573	4.9
374.14502	0.6
377.17108	12.3
377.21689	0.9
379.15054	0.8
381.16489	3.6
384.10794	15.4
393.16467	1.7
395.18152	6.1
405.16464	1.3
411.15985	1.0
423.17654	24.4
437.19211	100.0
438.19647	0.6
453.16873	8.9
453.33606	6.6
458.14005	0.6
465.18729	12.7
470.84042	0.5
471.34485	1.3
499.20822	2.8
515.20190	0.7
517.21857	1.1
527.05359	0.5
559.22864	63.8
560.23700	0.7
573.24164	1.3
601.23987	1.9
605.79327	0.5
633.28534	0.8
633.39990	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	633.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
55.05502	0.5
56.05039	7.6
57.03424	0.9
57.62457	0.2
58.06586	0.7
65.03921	0.5
67.05486	0.5
69.03412	0.2
69.07074	7.7
69.07451	0.4
69.40221	1.8
70.06579	0.3
71.04987	0.3
71.08646	0.2
74.02447	0.4
74.06084	14.6
76.03999	0.3
79.05480	0.5
81.07041	0.9
82.06579	0.4
83.04977	0.2
84.01912	0.2
84.04498	1.0
85.02885	0.6
86.06079	0.3
86.09683	0.7
91.05481	3.4
93.07027	0.5
95.08596	0.6
97.02884	0.8
97.06538	2.8
102.05548	8.8
103.05437	0.3
105.07040	0.4
107.07340	0.2
107.08614	0.5
109.10116	0.3
110.06056	2.1
113.50605	0.2
119.04945	1.5
119.08565	0.3
120.04494	0.4
120.06587	8.6
121.06521	0.4
121.10125	0.3
127.04005	0.2
128.07076	1.4
131.04974	0.2
132.04446	0.3
134.06013	0.2
136.07541	0.2
137.05005	0.2
137.05977	4.8
138.05475	0.3
145.02869	0.5
146.05974	0.3
147.04402	0.4
148.03935	0.7
149.13235	0.3
151.06258	0.9
152.07089	1.6
152.10672	0.7
154.12299	0.3
156.06551	0.8
157.10124	0.2
159.11749	0.2
163.03909	0.3
164.07024	1.1
166.04997	3.6
170.11778	0.6
172.09711	0.5
176.07072	0.3
177.05504	0.9
178.08612	0.3
180.06560	55.7
181.06927	0.4
188.12790	0.4
190.05119	0.4
194.08110	0.4
198.11337	0.4
201.16331	0.2
204.06583	0.3
206.04428	1.1
206.08224	0.4
208.05977	1.1
216.12306	0.4
220.06062	8.8
222.07619	17.5
223.07623	0.2
248.05542	0.6
262.07144	5.4
271.05988	0.3
279.11270	0.5
294.13379	0.5
302.10254	0.8
333.18018	1.0
336.14700	0.2
339.13696	0.4
344.11307	0.6
344.77725	0.2
349.17584	1.0
351.15469	2.0
375.19220	0.8
376.14304	0.2
377.17035	0.8
379.18552	0.3
381.16495	0.8
384.11105	0.2
391.18741	0.9
393.16455	1.2
395.18149	12.8
405.16678	0.3
417.33908	0.4
419.18094	0.3
423.17651	1.8
437.19211	100.0
438.19440	0.9
453.34949	0.2
517.21704	0.6
559.22894	9.9
573.24683	0.3
591.25433	0.7
601.25482	0.5
633.06891	0.3
633.26031	2.5
633.34375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40143	0.5
55.05515	2.4
55.94644	0.4
57.07073	0.7
58.51645	0.5
65.03939	0.8
67.05513	3.6
69.03408	0.5
69.07053	2.2
71.58693	1.0
79.05482	2.4
81.07057	5.6
83.04981	1.3
83.08614	2.1
87.32485	0.6
91.05482	9.0
93.07053	7.4
95.04955	1.7
95.08612	9.3
97.06541	0.8
97.10179	0.7
103.05527	0.7
105.07029	7.6
107.04942	1.5
107.08601	10.8
109.06534	1.3
109.10165	4.4
116.40888	0.5
117.07090	0.7
119.04951	15.0
119.08587	11.6
121.06531	1.2
121.10156	9.4
123.04482	1.4
123.08097	1.1
123.11713	2.2
125.09628	0.7
129.06960	0.9
131.08568	3.0
133.10138	8.1
135.08069	2.0
135.11703	6.7
141.07010	0.6
142.07822	0.5
143.08556	2.1
145.10150	8.1
147.04417	58.3
147.11679	4.7
149.09662	0.9
149.13271	3.4
151.11208	0.7
153.09106	0.7
155.08543	0.8
157.10136	3.6
158.10913	0.9
159.08067	1.2
159.11705	4.6
160.12151	0.5
161.09657	1.4
161.13258	3.2
163.11186	1.3
163.14839	4.6
165.05493	6.0
165.09181	0.6
169.10123	1.2
169.32263	0.5
171.11723	3.0
173.09673	1.4
173.13248	3.9
174.13904	0.6
175.11249	1.9
175.14835	6.1
177.12801	0.7
177.16368	2.5
181.04987	0.7
181.12083	0.6
183.11693	1.8
185.13286	2.4
187.11220	0.6
187.14799	5.6
189.12767	1.6
189.16383	7.4
191.14319	0.6
191.17961	1.1
197.13278	1.6
199.11198	0.8
199.14886	3.2
201.12738	1.1
201.16399	2.1
203.14352	1.4
203.17992	1.1
205.15904	3.3
209.13203	0.6
211.14861	1.0
213.16408	1.4
215.14330	2.4
215.18001	1.1
217.15842	2.9
219.17528	0.5
221.15454	0.8
223.14792	0.9
225.16402	1.3
227.18007	2.1
229.16026	0.9
230.57036	0.6
233.15382	3.8
235.16995	0.7
237.16434	1.2
239.18030	1.0
241.19563	1.3
243.17525	1.0
251.18118	0.7
253.19556	1.3
257.19144	1.2
265.19434	0.6
271.20676	1.2
273.18640	1.6
289.17926	1.2
299.20020	1.0
302.20200	0.6
309.22250	0.7
323.23868	0.6
327.22952	0.6
357.06085	0.5
369.24112	0.6
387.30432	0.7
405.31311	3.5
407.29462	0.9
423.32584	7.1
425.30753	3.1
433.31036	1.5
451.32108	12.9
469.33182	100.0
470.33438	1.6
522.11591	0.7
587.89215	0.6
633.40710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3792
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
55.05510	2.6
56.84998	0.5
60.44186	0.7
65.03929	1.0
67.05491	2.1
69.03434	0.5
69.07070	3.1
69.63583	1.1
69.63981	2.9
79.05487	2.9
81.07060	5.7
83.04973	1.8
83.08595	2.6
83.54138	0.5
85.06551	0.8
91.05485	8.7
93.07044	5.4
95.04953	1.3
95.08617	9.0
96.54234	0.5
97.10178	0.9
98.20799	0.6
105.07034	9.5
107.04991	1.2
107.08598	10.9
109.06514	1.6
109.08471	0.5
109.10154	4.1
111.08073	0.8
117.07022	1.1
119.04946	11.9
119.08593	12.4
121.02863	0.5
121.06535	1.2
121.10149	8.8
123.04420	2.3
123.08086	1.1
123.11664	1.8
125.09613	1.2
129.07019	0.6
130.82587	0.6
131.08571	3.5
133.10136	8.9
133.66275	0.6
135.08034	1.2
135.11678	5.0
137.09625	0.8
137.13280	0.7
143.08533	2.2
145.02853	0.7
145.06395	0.6
145.10132	7.7
147.04416	44.0
147.08043	1.2
147.11703	4.9
149.09630	1.1
149.13251	2.9
151.11154	0.6
155.08585	1.0
157.10167	4.2
158.10895	0.8
159.11731	5.0
161.09648	1.5
161.13223	4.2
163.03873	1.5
163.14777	4.9
165.05452	3.8
169.10196	1.1
171.11678	2.7
172.12381	0.7
173.09637	0.7
173.13254	3.5
175.11234	1.2
175.14861	7.8
177.16423	3.6
183.11703	1.9
185.13277	1.8
187.14832	7.7
189.12805	1.4
189.16388	11.2
191.14426	0.9
191.17995	1.5
197.13268	2.3
199.14886	4.1
200.30341	0.6
201.12650	0.6
201.16341	2.8
203.14407	0.8
203.17964	0.8
205.15919	4.0
207.17400	0.9
209.13031	0.6
211.14790	1.4
213.16405	1.7
215.14316	1.9
215.17996	1.0
217.15898	5.3
219.13782	0.8
219.17369	0.7
223.14854	0.8
225.16420	1.0
227.14346	0.6
227.17970	2.0
229.16040	0.9
229.19545	0.9
231.17393	1.0
233.15396	3.8
235.17014	1.3
239.18004	1.9
241.19518	1.3
243.17451	1.1
247.16870	0.6
251.18019	0.7
253.19443	2.5
255.17584	0.6
255.21057	1.3
257.19016	0.6
264.37228	0.5
265.19562	0.7
271.20679	2.0
273.18414	0.7
277.19510	0.6
279.20844	0.6
283.20563	0.6
289.18005	1.0
299.20135	1.1
323.23840	0.8
325.21530	0.9
369.24121	0.7
379.29941	0.8
405.31708	4.7
423.32611	9.8
425.30542	2.3
433.31137	1.8
439.32324	0.9
451.32065	12.6
469.33167	100.0
470.33331	2.1
633.40063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3784
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
55.05501	3.8
56.96561	2.5
57.07066	1.2
61.60086	1.1
65.03939	1.9
65.28989	1.1
67.05494	4.0
69.07051	4.5
70.06587	1.0
70.42479	3.4
71.04972	1.1
76.26068	1.0
77.02929	1.0
78.44141	1.0
79.05487	4.5
81.07069	6.7
83.04987	2.0
83.08601	4.7
85.02932	1.0
89.03965	1.3
91.05482	10.0
93.07062	8.7
95.04959	3.6
95.08616	15.8
97.06499	1.2
104.76176	1.0
105.07036	10.2
107.04955	6.3
107.08596	13.3
109.06499	2.2
109.10166	7.9
111.08067	1.2
115.22590	0.9
117.07010	1.6
119.04958	10.4
119.08597	17.7
121.06493	3.4
121.10157	14.6
123.04417	11.0
123.11723	1.8
125.09673	1.0
129.07001	1.8
131.08553	4.7
133.06474	1.5
133.10138	14.4
135.04373	2.7
135.11694	7.9
136.93102	7.1
137.09579	1.3
143.08540	2.8
145.02881	1.0
145.10123	10.5
147.04417	41.2
147.11697	5.8
149.09599	2.6
149.13264	3.8
151.11214	1.2
153.09042	1.4
154.94170	10.6
155.08463	1.4
157.10083	3.9
158.10986	1.0
159.11716	6.9
161.09555	2.6
161.13278	4.9
163.03923	9.5
163.11218	2.4
163.14816	4.3
165.05496	4.5
169.10184	2.2
170.10863	1.1
171.11713	4.0
172.95251	14.0
173.09709	1.4
173.13263	8.2
175.14815	6.4
177.12743	1.1
177.16373	3.9
177.95703	1.5
182.11011	1.0
183.11694	3.5
185.13203	2.8
187.11240	1.3
187.14789	9.2
189.12807	2.7
189.16379	9.4
190.96266	3.5
191.14319	1.1
191.17931	2.4
195.96803	2.4
197.13319	2.7
199.14822	4.4
201.12718	2.3
201.16377	4.5
203.14282	1.8
203.17918	2.4
205.15874	2.8
210.96716	2.0
211.14832	2.9
213.16397	3.5
215.14331	3.6
215.17932	1.5
217.15874	4.0
227.17856	2.7
228.97934	5.1
229.15952	1.2
229.19336	1.1
233.15356	3.4
235.16881	3.1
239.17960	2.4
241.19598	2.5
245.15402	1.5
253.19627	2.4
257.19196	1.3
267.21082	1.0
273.18729	1.1
289.18069	1.8
298.98361	5.3
299.20090	1.3
316.99475	4.1
317.18008	9.1
335.18726	3.0
358.20273	1.1
387.30780	1.4
405.31296	5.1
407.29291	1.3
423.32568	8.0
425.30325	4.3
433.30951	1.8
435.32605	2.1
439.32071	1.9
451.32172	17.9
453.17041	9.7
453.34155	1.1
467.31363	4.4
469.33179	100.0
470.33237	3.0
471.18167	13.4
485.32697	8.2
494.19659	3.0
633.23535	11.0
633.37079	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	633.4004
Annotation	Rubuside D
Peak:m/z	Relative Intensity
53.03876	1.5
53.04089	0.7
55.01815	0.8
55.05439	1.7
55.05661	0.9
56.96500	0.9
57.03369	1.5
57.06997	1.0
59.04923	1.2
59.78615	0.7
61.02824	1.9
65.03861	1.3
66.83906	0.8
67.05402	2.6
69.03316	7.4
69.03714	1.5
69.06959	3.9
70.06516	0.9
71.04913	1.7
71.59071	1.3
73.02824	1.2
73.03185	0.7
73.56578	1.0
76.42807	0.8
79.05380	2.7
79.05808	1.2
81.03293	4.1
81.06939	7.8
81.07449	1.2
83.08522	1.8
85.02775	17.1
85.03351	2.2
85.06463	1.4
87.04369	0.8
91.05351	5.5
93.06915	9.0
95.04872	1.8
95.08475	13.0
95.09147	1.8
97.02761	44.9
97.03451	4.5
97.06425	1.5
98.97459	1.2
99.04375	0.8
100.51006	0.7
103.05333	4.9
105.06889	10.7
107.08456	15.8
107.09238	1.5
109.02766	2.1
109.06381	3.5
109.07101	1.4
109.10017	6.2
111.07968	1.0
117.03300	1.2
117.06917	1.8
119.04795	2.1
119.08440	20.8
119.09351	1.5
120.06470	0.8
121.06348	2.9
121.07116	0.8
121.10152	10.2
123.08052	4.6
123.11554	4.8
125.05826	2.7
127.03775	3.1
128.06242	4.3
129.06883	1.6
131.04944	13.2
131.05832	1.1
131.08565	7.4
133.06396	0.9
133.10133	16.9
135.04297	0.9
135.07918	2.2
135.11697	17.8
137.05984	3.9
137.09618	3.7
137.13133	1.7
141.06895	1.8
143.08569	15.0
143.09590	0.8
145.02744	2.1
145.04790	2.5
145.10129	9.2
146.05957	0.9
147.04274	2.1
147.07872	1.7
147.11703	12.3
149.05864	1.1
149.09613	4.2
149.13251	5.4
151.11203	13.7
153.07022	3.8
155.08398	2.6
157.10089	5.0
159.07910	1.8
159.11745	5.5
161.09460	2.2
161.13216	3.7
163.03775	2.9
163.10983	1.0
163.14807	6.7
165.12759	18.0
169.06363	1.9
169.10138	5.9
171.08055	3.9
171.11568	3.0
173.09578	4.0
173.13275	7.2
175.07489	1.8
175.11067	1.2
175.14659	2.2
177.05444	3.7
177.12711	1.0
178.85350	0.9
180.06528	4.7
181.06435	1.9
181.10059	1.1
181.62823	0.7
182.10779	2.0
183.11647	2.1
185.13235	5.7
187.07512	1.0
187.11052	1.9
187.14857	5.0
188.06943	1.1
189.12650	1.6
189.16396	48.3
191.14145	2.9
191.17946	4.1
193.15799	1.3
195.11536	1.2
197.13356	4.5
199.07542	5.0
199.11150	1.1
199.14786	1.6
201.12766	21.4
201.16316	1.2
203.14227	2.3
203.17880	1.7
205.15927	3.6
205.19559	0.8
207.17455	64.5
209.15382	53.1
210.99275	0.8
211.14775	1.3
213.12599	3.3
213.16286	2.2
215.14357	9.1
217.15732	1.2
219.13811	10.1
220.05864	2.3
222.07603	1.2
227.06926	2.1
227.14145	2.6
229.15718	2.2
231.13823	6.8
231.17285	1.2
233.15314	1.5
245.08185	10.8
245.15392	83.2
247.16760	3.5
249.12474	1.3
249.14877	20.4
259.17044	1.3
262.07031	2.2
263.09045	2.1
263.14316	0.8
263.16403	9.6
299.20038	0.9
369.22781	2.0
407.20715	1.4
407.33066	1.1
423.32632	1.8
435.32565	7.6
437.19275	6.3
453.33707	24.3
471.34763	100.0
472.34842	1.9
495.11380	0.9
573.25299	1.3
583.22278	1.3
615.39465	2.4
633.24121	4.9
633.40192	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	633.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05516	7.7
57.03455	1.0
57.07071	3.3
59.05017	0.9
65.03951	0.7
67.05511	21.4
69.03434	8.2
69.07071	14.1
71.04991	2.8
71.08607	0.7
71.18046	1.3
79.05482	6.4
79.82325	0.7
80.30769	0.8
81.03419	2.2
81.07065	24.1
83.04990	10.3
83.08628	7.4
85.02909	1.9
85.06551	3.7
87.08094	1.0
91.05477	5.8
93.07048	12.2
95.04967	2.7
95.08612	34.2
96.08978	0.6
97.02898	2.1
97.06537	2.1
97.10179	3.0
99.04501	0.7
99.08115	4.4
101.27646	0.7
105.07035	8.5
107.08600	22.4
109.06532	10.3
109.10159	100.0
111.08083	3.2
113.09676	2.3
117.07011	1.4
119.08585	35.6
121.10149	13.6
123.08080	13.3
123.11724	10.0
129.06978	0.9
131.08609	1.7
133.10138	19.2
135.11699	90.5
137.09625	17.5
139.11211	2.5
145.10136	1.6
147.11684	2.1
149.13275	7.8
151.11206	9.5
151.14822	11.9
153.12737	2.5
159.11691	1.6
161.13147	0.8
165.16409	3.1
169.10143	0.7
173.13306	1.6
175.14839	39.0
187.81763	0.7
193.15891	50.8
205.46439	0.8
211.16940	99.9
241.19403	0.9
249.53322	0.8
261.22253	1.5
351.86246	0.9
387.25250	0.8
391.84451	0.8
580.53894	0.8
633.47693	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90243	0.6
53.03930	1.9
55.01863	1.3
55.05509	4.3
57.07077	3.2
58.99569	0.9
59.04985	2.6
61.01146	0.8
61.06694	0.6
62.99060	2.2
65.03922	0.9
67.05181	0.6
67.05511	7.6
69.03432	3.1
69.07067	6.6
69.32888	1.9
69.33316	3.5
71.05000	17.9
71.08630	1.2
73.06549	2.0
74.99058	0.8
75.02699	1.4
79.05061	0.9
79.05501	13.7
81.07065	52.4
83.04998	2.9
83.08639	2.9
84.08163	0.7
85.01139	8.9
85.02889	1.3
85.06551	4.7
87.02676	1.7
87.08150	0.6
89.00620	0.8
91.02153	1.2
91.05490	7.1
92.29626	0.6
93.07055	12.2
93.95904	0.6
95.04977	2.8
95.08609	6.2
97.01122	3.3
97.02863	0.6
97.06525	3.5
97.10173	4.6
99.02660	3.5
99.08100	6.5
101.00623	0.9
101.04276	0.6
103.02154	1.2
103.05473	2.1
105.07047	3.5
107.04946	0.8
107.07863	0.9
107.08602	18.2
109.06544	3.6
109.10165	23.9
109.10918	1.2
111.02682	6.8
111.08110	2.7
111.11735	1.4
113.00608	1.9
113.04257	2.7
115.02143	6.5
119.01658	5.2
119.04974	1.2
119.08619	0.9
121.06522	21.2
121.09321	0.8
121.10159	12.4
122.06810	0.8
123.08061	0.8
123.10815	1.4
123.11722	27.8
123.23401	0.6
125.04222	6.9
125.09636	15.3
127.02143	0.9
127.05757	1.3
127.11163	1.9
129.00050	1.5
129.03732	4.0
131.08585	0.7
133.10132	7.2
134.10890	1.2
135.11682	2.1
137.05981	1.0
137.09622	1.3
139.05751	1.2
139.11200	11.8
141.03708	5.6
141.07315	2.0
141.09084	0.7
141.12715	0.9
143.10698	17.5
146.05991	1.0
149.09602	2.0
150.05463	0.6
151.11192	15.4
153.03677	1.5
155.08881	1.4
157.12192	0.6
163.03926	1.4
164.07082	9.2
165.07327	1.6
169.12254	39.7
171.04778	4.4
173.09973	0.9
175.04227	1.3
176.07124	2.3
178.08702	3.7
183.08427	5.5
187.04144	2.8
189.05801	1.7
190.08699	3.1
197.27066	0.6
201.09460	100.0
204.06590	1.3
219.10518	13.9
222.07631	6.2
227.11035	2.9
234.07686	0.9
237.09393	0.6
255.10513	2.6
273.11624	7.2
273.65881	0.6
281.82605	0.6
291.12628	85.6
332.06442	0.6
344.15308	0.6
374.16083	5.4
422.16406	10.8
427.49246	0.6
436.17853	2.7
440.17239	0.6
454.18997	82.2
455.19550	1.5
482.14178	0.7
537.54767	0.6
542.22266	1.9
560.23279	12.0
602.24432	0.9
634.23212	9.5
658.52185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.01859	0.8
55.05513	3.3
57.03428	0.8
57.07089	3.1
58.99588	0.8
59.05008	3.2
62.99055	1.8
65.03913	1.5
67.05505	8.8
69.03432	3.1
69.07069	6.0
69.33514	3.0
69.33932	1.2
70.07881	0.5
71.04994	19.4
71.08665	0.5
73.01152	0.8
73.06524	0.6
74.99048	0.8
75.02686	1.0
79.05067	0.7
79.05496	12.2
81.07059	46.6
83.04973	2.6
83.08636	2.8
85.00648	0.6
85.01132	10.2
85.02870	0.6
85.06551	4.0
87.02682	1.1
89.00615	0.6
89.06025	0.9
91.05489	6.9
93.07050	10.1
95.04972	3.0
95.08604	4.8
97.01124	3.8
97.06521	3.5
97.10188	4.2
99.02690	3.1
99.08098	6.4
101.00597	0.7
103.02147	1.1
103.05459	2.4
105.04483	0.9
105.07015	4.4
107.04958	0.7
107.08593	18.1
109.06495	2.9
109.10156	23.1
111.02674	6.4
111.08070	2.1
111.11675	1.4
113.00582	1.8
113.04208	2.3
115.02149	4.9
117.03778	0.7
119.01648	4.1
119.04922	1.0
119.08572	1.3
121.05648	1.1
121.06509	21.3
121.09299	1.0
121.10138	12.6
123.08132	1.0
123.11710	29.7
125.04219	6.2
125.06100	0.6
125.08750	1.1
125.09629	14.4
127.02130	1.0
127.05743	1.1
127.11158	1.7
129.00041	2.1
129.03700	6.3
131.08559	0.8
133.10135	7.0
134.10895	0.7
135.11656	1.7
137.06006	0.9
137.06950	0.5
137.09569	1.6
139.05724	1.5
139.11186	9.4
141.03719	5.7
141.07349	2.7
141.09048	0.7
141.12726	0.6
143.09595	1.1
143.10680	19.2
146.06032	1.0
149.09624	1.9
150.05473	0.6
151.11182	13.1
153.03656	1.3
155.08862	1.7
159.30583	0.5
163.50758	0.5
164.07059	7.0
165.07401	1.6
169.12251	34.9
171.04788	4.1
173.09802	0.5
175.04164	1.6
176.07072	2.9
178.08652	3.1
183.08398	5.2
185.10017	0.8
187.04204	3.1
187.40765	0.5
189.05804	2.4
190.08635	3.7
201.09451	100.0
204.06534	1.2
209.09897	0.8
219.10521	11.7
222.07623	6.2
224.09253	0.6
227.11018	3.7
234.07628	1.8
255.10612	2.9
273.11569	5.7
291.12607	84.7
344.14832	1.0
374.15933	7.3
388.11581	0.7
422.16345	11.6
436.18268	2.8
454.18961	82.5
455.19278	0.9
505.85605	0.6
542.22070	1.5
560.23126	12.1
602.23602	0.9
634.23041	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	634.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01876	5.3
55.05516	7.5
57.03450	5.7
57.07084	1.3
61.02931	2.0
65.03942	2.3
67.05511	26.4
68.99820	1.3
69.03439	12.3
69.07082	6.4
71.05003	12.2
71.57721	1.7
73.02911	2.6
79.05499	31.0
79.05965	1.6
81.03426	13.3
81.07066	30.5
83.04990	1.8
83.08627	2.5
85.02914	32.8
85.06550	2.2
86.09714	1.0
86.51873	1.0
87.00838	11.1
91.05487	26.4
93.07055	40.4
95.04987	2.9
95.08617	19.8
97.02903	10.0
97.06549	4.1
99.04465	5.2
105.01863	8.5
105.07036	18.8
107.08606	20.8
109.02895	11.2
109.06527	1.3
109.10166	9.2
117.01860	1.0
117.07031	9.7
119.08593	15.6
121.06508	5.1
121.10152	31.8
122.06868	1.1
123.08112	1.6
123.11695	2.9
127.03931	18.1
129.01802	2.5
129.07014	4.7
131.08582	13.7
133.10155	15.0
135.08080	1.3
135.11713	18.8
135.12708	1.3
137.09669	1.3
143.08588	3.7
145.04987	5.6
145.10158	10.9
147.11681	10.4
149.13303	5.3
151.11208	1.4
157.10144	6.2
159.02904	4.8
159.08028	1.2
159.11690	11.9
161.13286	6.3
163.11177	1.8
163.14786	1.4
171.11726	5.4
173.13310	4.9
175.14874	3.3
177.12825	2.2
181.12277	1.1
184.07355	1.9
185.13261	3.9
187.14806	1.1
199.14822	2.5
201.09415	1.3
213.16324	1.0
231.05063	1.7
241.19508	10.0
247.20576	1.1
259.20605	23.7
277.21674	12.5
291.12576	1.2
333.24261	2.9
351.25314	100.0
352.25656	1.3
369.26520	1.9
454.19260	2.1
459.27737	1.2
599.30542	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	634.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01876	5.3
55.05516	7.5
57.03450	5.7
57.07084	1.3
61.02931	2.0
65.03942	2.3
67.05511	26.4
68.99820	1.3
69.03439	12.3
69.07082	6.4
71.05003	12.2
71.57721	1.7
73.02911	2.6
79.05499	31.0
79.05965	1.6
81.03426	13.3
81.07066	30.5
83.04990	1.8
83.08627	2.5
85.02914	32.8
85.06550	2.2
86.09714	1.0
86.51873	1.0
87.00838	11.1
91.05487	26.4
93.07055	40.4
95.04987	2.9
95.08617	19.8
97.02903	10.0
97.06549	4.1
99.04465	5.2
105.01863	8.5
105.07036	18.8
107.08606	20.8
109.02895	11.2
109.06527	1.3
109.10166	9.2
117.01860	1.0
117.07031	9.7
119.08593	15.6
121.06508	5.1
121.10152	31.8
122.06868	1.1
123.08112	1.6
123.11695	2.9
127.03931	18.1
129.01802	2.5
129.07014	4.7
131.08582	13.7
133.10155	15.0
135.08080	1.3
135.11713	18.8
135.12708	1.3
137.09669	1.3
143.08588	3.7
145.04987	5.6
145.10158	10.9
147.11681	10.4
149.13303	5.3
151.11208	1.4
157.10144	6.2
159.02904	4.8
159.08028	1.2
159.11690	11.9
161.13286	6.3
163.11177	1.8
163.14786	1.4
171.11726	5.4
173.13310	4.9
175.14874	3.3
177.12825	2.2
181.12277	1.1
184.07355	1.9
185.13261	3.9
187.14806	1.1
199.14822	2.5
201.09415	1.3
213.16324	1.0
231.05063	1.7
241.19508	10.0
247.20576	1.1
259.20605	23.7
277.21674	12.5
291.12576	1.2
333.24261	2.9
351.25314	100.0
352.25656	1.3
369.26520	1.9
454.19260	2.1
459.27737	1.2
599.30542	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	635.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01878	5.9
57.03432	11.9
61.02920	7.7
68.99781	8.0
69.03442	46.2
69.18873	29.1
69.19290	15.1
71.04986	6.6
73.02925	9.2
79.07101	4.1
81.03425	41.9
85.02425	6.3
85.02915	94.5
87.00837	56.0
87.30585	4.3
91.05504	6.2
97.02903	48.3
99.04456	13.7
103.03957	18.1
105.01876	43.3
105.56292	4.1
109.02893	62.4
117.07000	13.0
121.06499	15.4
125.02544	4.6
127.03928	100.0
129.01826	6.4
131.08583	6.7
134.25864	3.9
141.07005	7.8
145.05005	15.7
145.06476	22.5
147.02835	6.9
151.03905	6.4
155.08682	4.4
157.06525	6.2
159.02852	8.5
159.08083	11.9
163.03954	9.2
163.07584	17.5
169.05046	6.1
169.06427	5.9
171.02875	8.5
171.08084	5.9
173.05946	7.5
180.50531	4.9
183.08112	11.8
187.07564	44.1
189.03967	31.3
201.09134	10.5
205.08643	25.3
211.07523	15.5
213.03922	18.4
226.21501	4.2
228.74237	3.7
229.08556	50.2
229.10277	4.3
231.05032	22.3
247.09674	42.4
249.06105	5.7
264.55606	4.1
271.09637	7.3
273.06119	15.4
333.09686	14.3
339.07468	9.0
351.11047	4.2
369.11887	22.5
408.25806	4.5
425.07684	4.5
461.09384	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	635.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
58.48618	0.7
62.35955	0.7
65.03925	0.8
67.16884	0.8
69.73710	4.4
70.06573	1.1
81.03390	0.7
81.07059	0.8
84.08147	0.9
85.02891	1.2
85.86375	0.6
91.05491	14.9
93.07037	1.7
95.04959	1.4
95.08618	0.9
97.02902	0.8
105.06990	0.8
107.08589	1.4
115.05424	1.4
117.05753	0.9
117.07008	2.5
118.06552	28.1
119.04939	7.4
119.08595	0.9
119.27541	0.7
121.06496	2.3
121.10123	0.8
131.04936	0.8
133.10159	0.9
135.11681	0.9
137.05988	17.3
142.06528	2.0
143.07314	2.3
143.08432	0.7
144.08109	11.5
146.06023	48.4
151.03883	0.8
151.07552	12.0
160.03943	2.2
160.07608	1.7
161.05983	1.2
162.05505	2.2
163.03902	1.7
165.09093	1.0
170.06017	3.9
173.05768	4.9
176.07159	1.2
178.04950	1.7
188.07072	34.3
192.06543	8.9
194.08148	11.5
201.05362	0.7
220.06068	7.6
231.02719	1.0
236.09230	2.8
238.07103	2.5
252.08644	1.7
260.44922	0.8
271.06143	0.8
280.08188	11.6
291.04761	1.5
294.09665	2.6
312.10745	2.6
323.07394	2.9
366.70871	0.8
397.27686	0.7
399.10651	0.7
413.11975	0.9
441.11530	8.3
448.16089	30.1
455.35135	0.8
457.14774	1.1
467.14572	1.3
473.14243	43.0
635.19562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
58.48618	0.7
62.35955	0.7
65.03925	0.8
67.16884	0.8
69.73710	4.4
70.06573	1.1
81.03390	0.7
81.07059	0.8
84.08147	0.9
85.02891	1.2
85.86375	0.6
91.05491	14.9
93.07037	1.7
95.04959	1.4
95.08618	0.9
97.02902	0.8
105.06990	0.8
107.08589	1.4
115.05424	1.4
117.05753	0.9
117.07008	2.5
118.06552	28.1
119.04939	7.4
119.08595	0.9
119.27541	0.7
121.06496	2.3
121.10123	0.8
131.04936	0.8
133.10159	0.9
135.11681	0.9
137.05988	17.3
142.06528	2.0
143.07314	2.3
143.08432	0.7
144.08109	11.5
146.06023	48.4
151.03883	0.8
151.07552	12.0
160.03943	2.2
160.07608	1.7
161.05983	1.2
162.05505	2.2
163.03902	1.7
165.09093	1.0
170.06017	3.9
173.05768	4.9
176.07159	1.2
178.04950	1.7
188.07072	34.3
192.06543	8.9
194.08148	11.5
201.05362	0.7
220.06068	7.6
231.02719	1.0
236.09230	2.8
238.07103	2.5
252.08644	1.7
260.44922	0.8
271.06143	0.8
280.08188	11.6
291.04761	1.5
294.09665	2.6
312.10745	2.6
323.07394	2.9
366.70871	0.8
397.27686	0.7
399.10651	0.7
413.11975	0.9
441.11530	8.3
448.16089	30.1
455.35135	0.8
457.14774	1.1
467.14572	1.3
473.14243	43.0
635.19562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
65.03944	1.5
69.21998	0.4
69.22303	4.2
81.07069	0.9
85.02899	0.5
91.05483	17.9
95.08604	0.5
103.05418	0.5
104.04996	0.5
106.06562	0.5
107.08562	0.5
109.06537	0.8
115.05471	4.3
116.04973	0.5
117.05689	1.2
117.07010	4.0
118.06548	60.6
119.04932	7.9
132.04405	0.6
132.08076	0.8
133.05307	0.5
134.05991	0.5
137.05984	30.8
142.02113	0.5
142.06540	4.8
143.07300	5.3
144.04485	2.8
144.08092	24.8
145.06520	0.7
146.06015	100.0
155.06032	1.0
160.03947	4.4
160.07564	1.9
162.05508	3.4
163.03905	0.5
164.07051	0.5
165.09091	0.5
167.07185	0.5
170.06021	8.9
176.07047	2.2
177.05521	0.6
178.04999	4.3
180.06665	0.5
188.07072	72.1
192.06567	16.4
192.08331	0.6
194.08136	24.1
201.05446	0.9
202.05048	0.8
206.04482	1.7
208.09764	0.6
220.06061	13.0
234.07657	0.7
236.09204	5.6
238.07121	7.3
248.05562	0.5
250.07198	0.6
252.08669	5.4
254.92363	0.5
262.07089	0.5
268.11884	0.9
271.06018	0.7
280.08160	22.8
294.09790	3.6
312.10840	5.3
338.08902	1.2
439.13702	0.5
448.16068	66.8
449.16400	1.4
467.14444	3.1
473.81467	0.5
506.16486	2.5
515.65601	0.4
561.17767	0.5
603.19708	0.6
635.22290	38.1
636.22693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87782	0.4
59.05011	3.2
64.98772	0.4
67.05509	1.3
67.62478	0.4
69.42018	3.6
71.04995	0.9
74.05109	0.4
74.23937	0.5
76.16714	0.4
79.05490	0.8
81.07044	0.7
83.04989	1.2
85.02893	1.4
85.06528	0.7
91.05489	2.0
93.07040	0.7
95.04972	7.2
97.02879	0.8
101.06033	0.7
103.05453	0.8
103.09521	0.4
109.02892	0.8
109.06532	1.1
111.04465	2.7
111.08080	1.0
115.05452	0.9
119.04932	1.6
121.06496	0.8
123.00791	1.1
123.04446	3.8
125.02353	3.2
125.88860	0.4
127.03970	0.7
128.06244	0.7
129.07024	5.7
131.04939	1.5
131.08575	5.1
133.02881	0.7
135.04556	0.4
137.05984	5.9
139.03920	43.9
141.05423	1.4
141.07027	3.4
143.08519	0.6
145.02849	1.1
146.07243	0.5
147.04402	1.3
149.06000	0.9
151.03912	24.8
151.07462	1.0
153.05473	1.2
155.07056	1.5
157.06500	4.0
158.07318	1.8
158.99644	0.5
159.08098	4.8
160.05199	0.9
161.05888	0.6
163.07593	0.8
165.05496	39.5
167.07054	3.2
168.07414	0.9
168.42130	0.5
169.05139	0.5
169.06512	1.9
170.07256	0.8
171.08101	0.5
174.06786	10.8
175.07571	2.3
177.05502	1.3
179.07108	1.3
181.05014	2.8
183.06557	7.8
183.08064	0.9
184.85941	0.4
186.06779	2.1
187.07600	1.0
188.08356	0.7
189.09142	23.4
191.10730	1.7
193.05008	3.8
197.08107	1.7
199.06010	1.2
201.09131	8.5
203.10712	1.5
207.06531	1.2
207.10153	0.4
211.05972	2.6
213.07576	1.6
215.09206	1.4
219.10188	100.0
220.10481	0.8
225.07600	42.1
237.11171	1.0
239.09344	1.0
243.08653	7.0
257.10239	11.4
276.05173	2.3
289.05899	0.7
304.07974	0.5
325.14487	1.2
341.13968	0.4
358.30054	0.5
443.16971	1.1
482.13049	2.6
631.44922	0.5
635.29193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53080	1.0
53.03945	3.0
55.05515	8.2
56.96570	10.8
57.03436	4.6
57.07071	4.1
61.02927	13.1
65.03956	1.6
67.05511	13.9
69.03450	6.6
69.07070	10.0
71.05000	1.2
71.08662	1.0
71.56881	1.3
71.95285	1.1
73.02943	3.0
74.28525	0.9
76.03188	0.9
78.48285	1.0
79.05499	7.6
81.03424	6.1
81.07060	21.1
83.05013	1.8
83.08627	9.1
85.02905	16.8
85.06512	1.3
91.03960	9.6
91.05486	16.8
93.07048	14.2
95.04977	2.4
95.08616	26.0
97.02905	11.8
97.06535	1.2
97.10194	2.5
97.96858	1.0
98.97596	6.1
99.04468	2.1
99.21885	1.0
102.26277	0.9
102.92653	1.4
103.03963	2.8
105.07039	12.7
107.08601	20.0
109.02916	3.2
109.06521	1.5
109.10168	11.8
110.97629	1.5
111.08121	1.3
115.03923	1.2
116.98626	2.6
117.07062	3.0
118.92117	3.6
119.04950	24.5
119.05767	1.5
119.08582	23.1
121.06542	2.3
121.10149	16.8
123.11702	12.3
127.03936	6.4
128.98668	1.6
129.06993	1.9
131.08586	6.2
133.10133	12.7
135.11699	13.0
136.93126	31.9
136.94151	1.7
137.13330	1.3
143.08612	4.3
145.05046	4.0
145.10136	13.6
146.10918	1.3
147.04417	100.0
147.11687	9.9
149.13240	8.5
151.14787	1.3
154.94179	58.8
155.08588	1.1
156.09380	1.2
156.94803	1.6
157.10106	4.9
158.10921	1.4
159.11685	9.1
161.13284	7.2
163.04013	1.2
163.06096	1.6
163.14862	6.2
165.05487	24.9
165.12784	1.3
169.10185	1.4
171.06564	1.0
171.08235	1.3
171.11751	4.4
171.63402	1.0
172.95251	74.9
173.13318	5.9
174.95715	1.2
175.14824	10.6
177.09177	2.1
177.16396	11.5
177.95840	4.3
183.06580	3.2
183.11739	2.4
185.13300	3.5
187.14828	11.3
189.16347	11.9
190.96297	21.0
191.18022	3.5
192.95628	1.8
194.97485	1.6
195.96831	11.2
196.95287	3.0
197.13454	1.3
199.14870	3.8
201.07686	2.4
201.16373	17.8
201.17966	1.4
203.17976	14.5
205.15945	3.6
207.17540	2.2
210.96750	10.7
211.14871	2.1
213.16451	8.7
213.97931	1.5
214.96313	5.7
215.14412	1.3
215.17946	4.8
217.19502	1.0
219.13760	1.6
219.17387	1.4
219.21094	1.3
222.87955	1.0
223.14763	1.5
225.16472	1.9
227.18126	1.3
228.97905	15.9
229.16045	1.3
229.19502	1.7
231.17346	1.5
233.15515	2.6
237.16425	1.3
237.22238	4.1
239.17914	2.1
240.97937	3.9
241.19691	1.7
243.21117	1.5
246.98973	2.4
247.17035	3.8
251.99507	1.3
252.97885	4.9
259.17056	4.4
270.98978	1.7
277.17908	7.2
282.99005	2.4
287.20071	1.2
298.98547	2.2
301.00903	6.9
305.22702	1.2
308.87744	2.2
311.25827	19.3
313.22260	1.8
316.99655	2.9
317.17892	25.9
318.18430	3.7
319.01010	2.5
319.18481	3.1
333.17487	2.1
335.19006	9.7
335.25729	5.2
339.25369	1.1
358.20734	4.3
381.27554	1.2
389.32288	4.9
397.14713	3.4
407.33203	8.5
409.31033	7.2
417.31943	2.0
425.34262	4.4
427.32022	5.8
432.87769	1.1
435.32660	12.8
437.29156	1.6
453.17139	23.2
453.33670	23.1
454.17639	3.4
455.17566	9.4
455.30292	3.6
458.11078	2.0
458.60953	2.1
459.10739	1.1
469.81268	1.0
471.18250	28.4
472.18832	5.0
473.18845	11.7
489.19290	23.9
494.20041	5.9
496.20474	3.2
531.20691	1.9
635.24860	53.9
635.36292	3.0
636.25446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05504	3.8
56.84794	0.6
57.07060	1.4
60.72495	0.5
65.03941	1.6
67.05503	5.1
69.03435	0.7
69.07068	3.9
70.97791	1.2
79.05484	3.4
81.07058	10.6
83.04975	2.2
83.08607	2.4
86.94981	0.6
91.05486	14.3
91.06005	0.5
93.07051	10.9
95.04926	1.2
95.08609	16.2
97.10159	0.8
105.07033	14.7
107.08594	15.5
109.06509	1.2
109.10160	11.3
111.08088	2.5
117.07006	1.1
119.04949	22.1
119.08582	19.9
119.09446	0.7
121.10149	13.5
123.08099	0.9
123.11697	3.5
125.09634	5.3
129.07036	1.1
131.08575	8.4
133.10127	13.3
135.08058	0.8
135.11688	7.0
137.09616	1.8
137.13287	0.7
138.52805	0.6
138.53882	0.6
142.07780	0.7
143.08575	2.9
144.09384	0.7
145.09030	1.2
145.10123	13.7
147.04413	100.0
147.11691	9.0
148.04721	0.9
149.09563	0.8
149.13271	5.1
151.11163	1.6
153.09103	1.2
157.10118	3.4
158.10941	0.9
159.11688	13.4
160.93941	0.6
161.13243	8.5
163.03897	0.6
163.11224	0.7
163.14793	4.2
165.05486	8.7
165.12788	1.0
169.10167	1.0
171.11714	2.6
173.13271	8.6
175.14822	9.7
177.12828	1.0
177.16394	8.5
179.10568	0.6
183.11719	1.3
184.12602	0.8
185.13297	2.2
187.14824	22.6
189.16400	18.5
191.14334	2.4
191.17943	4.2
191.69875	0.6
193.15897	1.4
197.13229	1.4
199.14859	5.3
201.16388	21.8
203.14272	0.7
203.17958	7.6
205.15872	4.2
205.19696	0.9
207.17415	1.2
211.14828	0.9
213.16382	8.8
215.17958	12.2
217.15851	4.4
217.19455	1.6
219.17456	10.1
221.15373	0.7
225.16417	1.1
227.17984	2.5
229.19531	1.3
231.17491	1.5
233.19020	2.2
235.16873	5.6
239.17978	0.8
241.19547	2.0
243.20990	0.9
245.19022	0.8
247.16850	5.6
249.18466	1.8
253.19456	1.0
255.21074	1.7
261.18527	4.6
267.21100	2.1
269.22723	0.8
281.22726	0.7
283.24106	0.7
327.23450	0.7
329.70746	0.6
349.28983	1.1
389.32086	5.3
391.33530	1.0
395.29489	2.4
407.27716	1.2
407.33105	22.1
409.34763	2.3
423.32434	1.3
425.34064	1.7
435.32648	8.5
453.33658	21.7
547.13110	0.7
552.01801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18415	0.5
53.03943	0.8
55.05260	0.6
55.05512	7.6
57.07074	2.7
59.19104	0.5
65.03932	2.0
67.05507	7.0
69.06726	0.8
69.07070	9.5
70.76249	1.6
71.04984	0.5
71.08630	0.6
79.05499	6.2
81.07058	16.7
83.04976	0.5
83.08624	13.0
91.05483	19.3
93.07046	12.9
95.04970	0.8
95.08610	31.0
97.10146	1.5
99.08089	2.1
103.05493	0.6
105.07035	19.3
107.08598	25.6
109.06526	1.1
109.10155	13.1
115.05485	0.6
117.07008	3.3
119.04945	26.2
119.08584	35.6
121.10148	18.4
123.04447	0.6
123.08032	0.7
123.11714	10.3
128.06206	0.8
129.07011	2.2
130.07777	1.1
131.08571	12.2
133.10135	16.8
135.08070	0.8
135.11700	15.1
137.09567	0.5
137.13234	3.5
142.07785	1.5
143.08566	7.8
144.09341	1.0
145.10126	22.1
146.10837	0.7
147.04414	100.0
147.11690	18.1
148.04730	0.7
149.05930	0.6
149.09569	0.8
149.13264	7.9
151.07527	1.1
151.14810	1.1
153.09094	1.0
155.08542	2.5
156.09357	1.6
157.10143	6.6
158.10886	1.9
159.11694	17.4
161.13258	10.9
163.03928	0.6
163.07555	2.2
163.11232	1.9
163.14824	7.0
165.05486	23.2
165.12708	0.6
167.10521	0.5
169.10164	3.2
170.10867	1.4
171.11690	8.0
173.13260	12.1
175.07532	0.7
175.14832	15.5
177.09138	1.1
177.12836	0.7
177.16391	10.0
179.14326	1.5
181.04955	1.0
181.10172	0.9
181.12236	0.7
182.10878	1.1
183.11674	3.9
184.12488	1.1
185.13264	10.8
187.14822	17.1
187.16452	1.1
189.16385	19.9
191.14264	0.7
191.17949	4.2
193.15857	0.8
195.11710	1.4
197.13269	4.8
199.14830	12.0
201.16388	26.7
203.14348	5.3
203.17996	10.5
205.12354	0.8
205.15858	6.5
207.11769	0.7
207.17445	6.9
209.13289	2.3
209.15250	0.7
211.14845	8.7
213.16389	11.3
214.17004	0.6
215.14404	1.8
215.17917	5.9
217.15869	0.9
217.19522	2.1
219.13843	1.6
219.17464	3.2
221.15379	0.7
223.14857	1.2
225.16379	2.4
227.17967	2.7
229.15866	0.6
229.19591	2.0
231.13806	0.8
231.17491	2.7
233.15340	4.1
237.16438	1.5
239.17966	2.7
241.19482	3.0
243.14035	0.7
243.20998	0.9
245.15422	4.7
245.19023	0.8
247.16908	3.7
249.14757	5.0
251.17950	1.4
253.19519	4.3
255.21098	1.7
257.15506	1.4
259.16953	4.8
259.19684	0.5
259.20706	0.7
262.80521	0.5
265.19446	1.4
267.21057	3.8
271.16974	1.2
271.20724	0.8
273.18524	0.9
277.18143	0.5
279.21082	0.9
281.22665	1.0
283.17105	0.7
283.24200	1.0
285.18472	1.4
285.94119	0.5
287.20163	1.3
293.22629	1.0
295.24130	1.4
297.18619	0.8
299.20084	2.4
300.82227	0.6
307.24304	1.5
309.18951	0.6
309.37057	0.5
311.20062	1.2
313.21606	1.1
313.25018	0.6
319.24316	1.2
321.26086	0.6
325.21582	0.9
327.23303	2.2
333.25641	0.7
335.27536	1.0
339.23135	0.9
347.27429	0.9
351.23135	0.7
353.24850	2.7
353.28653	0.7
363.30560	1.8
379.26373	1.1
381.70081	0.7
389.32016	10.1
391.33517	1.8
392.27228	0.7
393.27744	0.7
407.33115	18.0
409.31006	20.2
425.34146	3.7
427.32275	1.5
435.32605	42.0
436.32895	0.9
453.33658	15.3
471.34869	0.7
525.53284	0.5
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
53.03933	1.0
55.05509	2.3
57.07078	0.9
59.65832	0.6
65.03933	2.2
67.05511	4.2
69.07073	3.6
69.71574	4.0
76.34958	0.7
79.05497	4.0
81.07064	9.1
83.04972	2.4
83.08620	2.2
85.33125	0.6
91.05487	19.2
93.07050	9.7
95.04984	1.5
95.08053	1.2
95.08617	15.0
97.10166	0.9
105.07038	11.7
107.08605	17.3
109.06516	1.6
109.10165	11.0
111.08093	1.8
117.07021	2.4
119.04950	26.8
119.08586	18.2
121.10143	13.0
123.08031	1.0
123.11733	4.5
125.09679	3.7
125.10458	0.6
129.06981	0.7
131.08563	6.4
133.10158	13.9
135.11708	5.0
136.93137	2.4
143.08591	2.6
145.10138	14.5
147.04419	100.0
147.11694	6.9
149.09662	0.8
149.13235	4.0
151.11156	0.9
153.09077	0.7
154.94183	2.8
157.10104	3.1
159.11694	11.4
161.13249	8.3
163.14857	4.2
165.05501	1.3
169.10179	0.8
171.11717	3.2
172.12518	0.9
172.95238	1.9
173.13275	6.0
175.14830	6.8
177.16388	6.3
183.11681	0.9
185.13348	1.2
187.14824	15.0
189.16394	17.3
191.14323	4.3
191.18002	4.1
193.15962	1.1
197.13257	0.8
199.14908	3.2
201.16396	20.1
203.17932	6.6
205.15910	3.6
207.17532	1.5
211.14970	0.7
213.16376	9.7
215.17963	10.2
217.15953	3.2
217.19623	1.7
219.17444	11.7
219.19357	1.1
225.16415	0.7
227.17914	1.9
229.19624	1.4
231.17375	1.3
231.21025	0.9
233.19026	2.9
235.16901	7.3
239.17972	1.3
241.19594	3.4
245.19016	0.8
247.16966	4.9
255.21100	1.2
257.19122	0.7
261.18481	2.8
267.21121	2.1
279.21204	0.9
317.17850	1.2
389.32022	3.6
395.29001	0.9
395.33633	1.3
407.33105	22.8
409.34708	2.7
423.32571	1.5
425.34280	1.0
435.32593	6.1
441.33807	0.8
453.17157	1.1
453.33682	22.1
471.18640	1.2
473.19247	1.5
489.19427	1.2
625.37775	0.8
635.25238	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	635.3947
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
53.03950	0.8
55.05264	0.3
55.05512	4.6
57.07083	1.8
61.42470	0.3
63.02382	0.4
65.03924	0.4
67.05509	5.7
69.06722	0.5
69.07071	8.0
70.05996	0.5
70.06392	0.5
70.83054	0.2
71.04989	0.3
71.08602	0.4
79.05062	0.3
79.05495	5.1
81.07060	13.8
83.04980	0.4
83.08128	0.5
83.08622	6.7
89.03917	7.1
91.05480	6.2
93.06464	0.6
93.07050	11.1
95.04963	1.1
95.08607	26.0
97.06538	0.5
97.10159	1.2
105.04541	0.3
105.07032	13.8
107.04963	2.5
107.08600	19.7
109.06499	0.6
109.10162	12.6
111.08039	0.3
111.11712	0.5
115.05425	0.4
117.03389	8.3
117.07023	1.8
119.08583	27.2
121.02866	1.6
121.06522	0.5
121.10146	18.4
123.08055	0.4
123.11712	7.8
128.06267	0.3
129.06995	0.9
131.08571	5.6
133.10135	21.2
135.04417	18.2
135.08092	0.6
135.11697	12.9
137.09599	0.3
137.13272	3.1
139.03857	0.5
139.07516	0.4
142.07793	0.5
143.08565	2.5
144.09312	0.4
145.02853	13.2
145.10127	11.9
146.10909	0.5
147.11691	15.6
149.09637	0.4
149.13274	9.3
151.14839	0.8
153.09102	1.0
155.08514	0.6
157.10136	2.2
158.10922	1.3
159.11699	10.2
160.12491	0.9
161.09557	0.3
161.13263	10.4
163.03909	100.0
163.11026	0.6
163.14821	7.3
164.04167	0.4
165.12746	1.0
165.16437	0.5
169.10132	0.7
171.11699	2.6
172.12447	0.5
173.13275	6.1
174.14029	0.3
175.14838	14.8
177.09111	0.3
177.16391	15.2
179.10680	0.8
179.14334	0.6
181.04964	23.1
183.11696	1.0
185.13277	1.6
186.05475	0.9
186.14157	0.4
187.14812	5.3
189.16391	26.5
190.16637	0.3
191.17969	5.9
193.12048	0.4
193.15974	0.7
197.13263	0.9
199.14832	2.5
201.14873	0.3
201.16386	23.4
203.17964	32.6
205.15964	2.1
205.19513	1.0
207.13766	0.4
207.17456	5.4
211.14870	0.7
213.16380	7.8
215.17963	18.9
217.19482	2.9
219.13857	0.3
219.17441	0.8
221.15396	1.2
221.19051	0.8
223.16937	0.4
225.16325	0.7
227.17894	1.8
229.19516	2.9
231.17461	1.2
233.15384	0.6
233.19090	0.5
235.16928	3.3
235.20657	0.3
237.16309	0.3
239.18005	1.0
241.19496	4.1
243.21034	3.1
245.22836	0.3
247.16953	4.5
249.18527	3.4
253.19487	1.5
255.21167	2.5
257.22678	0.8
259.16931	2.2
261.18488	6.5
267.21069	1.7
269.22726	1.5
275.20126	0.5
281.22714	0.6
285.18555	0.7
287.20062	1.2
289.21585	0.7
295.24326	0.5
299.20068	1.2
301.21701	1.1
307.24280	0.5
309.25766	0.6
313.21619	0.7
315.23141	1.2
321.25903	0.5
327.08386	0.3
327.23102	0.5
329.24838	0.7
335.27103	0.5
349.28937	0.7
355.26312	0.6
365.32028	1.2
381.27850	0.5
383.29315	0.4
391.33572	9.5
393.35321	0.6
394.28653	1.3
409.34650	13.2
411.32520	9.0
411.37875	0.4
419.33347	0.6
427.35709	1.2
437.34183	35.8
438.34750	0.6
455.35306	1.0
542.52008	0.3
635.40118	0.5
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	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.05511	4.1
57.07067	1.5
63.02389	0.5
65.03954	0.5
67.05508	5.5
69.07069	6.3
70.74280	1.3
71.04966	0.5
71.08627	0.5
79.05495	5.6
81.07059	13.9
83.08620	5.9
89.03917	6.2
89.09412	0.4
91.05487	5.0
93.07050	11.7
95.04979	1.0
95.08614	26.5
97.10160	1.6
101.74773	0.4
103.05460	0.5
103.71278	0.5
105.04514	0.5
105.07039	14.5
107.04969	2.2
107.08603	21.0
109.06542	0.7
109.09454	0.9
109.10166	13.4
111.08103	0.5
115.05437	0.8
117.03391	7.7
117.07045	1.5
119.08588	27.2
121.10152	20.3
121.11034	1.0
123.08097	0.5
123.11716	10.3
124.99980	1.1
129.06993	0.7
131.08562	4.8
133.10144	18.8
135.03391	0.9
135.04424	15.6
135.08092	0.5
135.11700	11.0
137.13277	2.3
143.08553	3.5
144.08110	1.1
145.02863	14.3
145.10123	10.9
147.11705	15.5
149.12166	0.8
149.13281	9.5
151.07594	0.5
151.14825	0.8
153.09120	2.0
155.08493	0.5
157.10120	2.1
158.10968	0.9
159.11696	10.6
161.13280	7.1
163.03917	100.0
163.07581	1.7
163.14838	5.8
165.12816	0.9
167.10666	0.8
169.10223	0.5
171.11664	2.3
172.12488	0.5
173.13278	4.9
174.14058	0.6
175.14847	12.8
176.14360	1.3
177.09138	1.5
177.14813	1.0
177.16397	15.2
179.10793	0.5
181.04977	23.0
183.11803	1.1
185.13309	1.2
186.05547	1.0
187.14783	5.2
189.16394	21.1
189.18127	1.0
191.10751	0.5
191.17957	6.0
197.13277	1.3
199.14819	1.4
201.16405	14.9
202.15904	8.0
203.16232	5.5
203.17955	29.0
205.15953	3.8
205.19534	1.7
207.17441	3.3
211.14738	0.8
213.16411	4.2
215.17973	17.0
217.19551	2.8
219.17462	1.4
220.17006	1.3
221.18967	1.0
227.17899	1.1
229.15916	1.1
229.19461	2.3
231.17505	0.7
233.15379	1.4
235.17032	3.8
239.18001	1.4
241.19574	2.0
243.21135	2.4
247.16953	7.6
249.18512	2.3
253.19595	1.8
254.20325	0.5
255.21187	1.6
259.16888	1.3
261.18533	12.6
267.21106	1.5
269.22665	1.7
283.24295	0.7
287.20007	0.8
289.21585	1.0
295.24268	2.1
297.89828	0.5
299.20215	1.1
300.10156	0.5
300.13635	10.5
301.13968	6.3
301.21555	1.4
313.21716	1.1
313.25140	0.6
315.23248	1.1
329.24829	0.9
335.27185	0.7
351.30432	0.5
355.26263	1.0
365.32019	0.9
381.28128	0.6
391.33621	8.9
394.28568	1.3
409.34689	10.6
411.32489	9.7
427.35696	1.3
437.34201	40.8
455.35147	1.2
635.40222	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
53.04193	1.1
55.05517	6.6
57.07073	3.1
63.10838	1.1
67.05501	10.9
69.07079	11.5
69.47655	7.9
71.43913	1.1
79.05500	7.5
81.07059	20.5
83.08633	9.6
89.03928	7.3
91.05486	9.1
93.07050	18.7
95.04942	1.2
95.08610	39.0
97.10198	1.8
105.07034	24.1
107.04972	1.9
107.08596	28.5
109.10162	21.0
111.08079	1.3
117.03398	9.8
117.07013	4.1
119.08587	43.4
121.10146	30.5
123.08082	1.3
123.11723	12.1
129.06972	1.3
131.08562	8.6
133.09116	1.5
133.10144	30.5
135.04430	21.3
135.11700	18.0
137.09639	1.9
137.13254	3.7
143.08580	3.5
145.02841	13.7
145.10129	16.6
147.04414	2.4
147.11705	23.3
149.13261	11.0
153.09161	2.1
157.10123	3.6
158.10921	1.4
159.11697	14.3
160.12494	1.6
161.13260	15.1
163.03922	100.0
163.14848	14.4
165.12781	1.5
171.11671	2.1
173.13269	6.6
175.14853	21.8
177.16400	18.6
179.14450	1.2
181.04970	18.4
183.11798	1.8
185.13275	2.7
187.14810	8.5
189.16383	36.5
191.17981	8.0
199.14815	4.3
201.08513	1.2
201.16396	32.9
203.17972	51.7
205.15904	5.8
207.17447	10.2
213.16374	8.5
215.17966	21.9
217.19531	4.7
219.17453	2.5
221.15367	1.5
227.17986	2.6
229.19542	2.6
233.15417	2.0
235.16869	5.7
239.17892	1.3
241.19553	6.5
243.21092	3.9
247.16908	4.7
249.18562	4.5
253.19547	1.9
255.21078	3.7
259.16977	3.2
261.18497	10.0
267.21173	1.7
269.22601	2.1
289.21683	1.5
329.24814	1.5
346.42188	1.2
365.32056	1.3
391.33551	13.1
409.34689	22.9
411.32468	10.9
425.34320	1.4
437.34204	54.7
455.35355	1.9
635.40460	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	635.3947
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03947	1.9
55.05516	7.1
57.07072	1.9
58.55730	1.0
65.03928	2.2
67.05509	7.1
69.07076	9.3
71.04992	1.1
71.08175	1.0
79.05479	6.9
81.07063	17.4
83.05000	1.3
83.08625	10.2
85.06545	1.0
87.19888	1.1
91.05491	20.6
93.07050	17.6
95.04982	5.2
95.08617	34.7
97.06520	0.9
97.10178	1.8
98.18452	1.0
99.08092	3.2
105.06385	1.7
105.07037	21.4
105.07681	1.9
107.04961	17.9
107.08604	28.1
109.06553	1.2
109.10170	16.5
111.04310	1.0
111.08134	1.1
111.85815	1.2
117.07026	3.0
119.04956	26.3
119.08597	39.5
121.06543	1.3
121.10153	22.6
123.04428	14.2
123.08115	1.4
123.11720	8.4
129.06987	2.0
131.08575	13.7
133.10139	23.2
133.11092	1.9
135.11708	14.1
137.09663	1.0
137.13235	2.5
143.08578	7.4
144.09367	1.6
145.10133	25.3
147.04424	100.0
147.11702	20.5
148.04745	1.2
149.05972	1.2
149.09621	1.2
149.13274	7.9
151.07619	1.4
151.11276	1.8
153.09174	1.6
155.08562	2.4
156.09331	2.5
157.10152	9.4
158.10912	1.1
159.11722	24.1
161.13272	10.9
163.07559	2.4
163.11177	1.5
163.14853	7.0
165.05495	27.1
165.12796	1.4
169.10135	4.1
170.10980	1.6
171.11684	8.7
172.12488	1.1
173.13301	13.7
175.14848	15.6
177.16396	10.6
179.14313	1.2
183.11728	3.9
184.12544	1.2
185.13255	10.4
187.14830	20.8
189.16420	19.2
191.14349	2.4
191.17879	5.4
193.15901	2.4
195.11722	1.3
197.13310	5.3
199.14839	12.6
201.16399	32.2
203.14336	5.9
203.16164	1.9
203.17923	11.6
205.15887	7.5
207.17445	4.7
209.13254	2.7
211.14851	8.4
213.16400	14.3
215.14294	1.9
215.17993	8.3
217.15942	3.4
217.19560	1.6
219.13832	1.4
219.17470	5.1
221.15517	1.4
223.14864	1.9
225.16429	3.6
227.17993	3.0
229.15947	1.6
229.19527	2.2
231.13907	1.1
231.17484	3.3
233.15422	3.1
233.18916	1.5
237.16388	1.9
239.17961	2.7
241.19507	3.2
245.15378	4.7
247.16936	4.2
249.14780	4.7
251.17949	2.5
253.19543	3.1
255.21124	1.7
259.16953	5.7
261.18488	1.1
265.19449	2.0
267.21078	3.3
273.18704	1.5
295.24057	1.1
299.20200	1.9
325.21704	1.9
333.25961	1.1
353.24863	2.0
379.26440	2.2
387.30582	1.5
389.32068	7.4
405.31592	7.6
407.33151	18.4
409.30963	16.5
423.32849	2.0
425.34079	2.9
427.32520	1.1
433.31052	4.1
435.32626	35.2
451.31946	2.8
453.33737	15.6
488.86520	1.1
664.35486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05519	3.7
56.96572	1.3
57.07076	2.1
61.83893	0.7
62.56616	0.7
65.03945	2.6
67.05515	6.0
69.07079	6.9
71.05007	1.1
71.56921	1.0
79.05499	4.4
81.03459	0.7
81.07065	14.1
83.04964	1.2
83.08630	6.8
84.13221	0.7
85.02916	1.3
91.05494	15.5
93.07059	9.8
94.58891	0.7
95.04976	0.9
95.08616	20.0
97.10169	1.8
105.07037	15.7
107.08609	16.1
109.10161	9.2
117.07001	3.7
119.04950	21.4
119.08591	26.4
121.10149	14.4
123.08071	0.9
123.11734	6.7
128.06264	0.8
129.07033	1.3
131.08560	5.8
133.10147	14.6
135.11717	9.0
137.09616	1.0
137.13284	1.9
143.08585	2.9
145.10136	16.4
147.04422	100.0
147.10641	1.1
147.11708	11.3
149.13269	7.3
151.14868	0.8
155.08569	1.4
157.10170	4.0
158.10826	1.2
159.11693	11.5
161.13284	9.8
163.04033	1.3
163.11130	0.9
163.14832	4.5
165.05489	27.6
165.12650	0.9
169.10178	2.0
171.11690	4.5
173.13242	5.4
175.14848	13.1
177.16409	9.5
179.14328	1.5
183.11691	1.9
185.13303	2.6
187.14816	8.8
189.16417	12.5
191.14313	1.7
191.17906	3.8
193.15993	0.8
195.11792	0.9
197.13239	1.6
199.14851	4.6
201.16402	15.8
203.14516	0.8
203.17970	17.5
205.15865	4.8
205.19608	1.3
207.13617	1.0
207.17433	5.7
209.13393	1.4
211.14828	2.2
213.16351	4.6
215.14297	1.0
215.17941	6.5
217.15923	2.4
217.19530	2.5
219.17461	2.7
229.15886	3.5
229.19534	1.8
231.17485	4.3
233.15422	0.9
239.17969	1.4
241.19611	1.2
243.21065	1.3
245.15385	1.6
246.07625	1.0
247.17096	1.7
253.19446	1.0
261.14911	0.9
265.17865	1.5
267.21170	1.1
275.16510	1.8
277.18015	4.1
303.19647	1.4
315.19632	1.0
345.23877	0.9
389.32013	1.4
407.33087	9.2
425.34137	5.5
427.32043	7.2
435.32526	2.1
453.33704	31.5
526.77014	0.8
635.37842	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	635.4159
Annotation	CHEBI:67947
Peak:m/z	Relative Intensity
53.03945	1.7
55.01858	1.3
55.05516	5.7
56.96575	1.2
57.03451	2.3
57.07053	2.2
61.02917	2.3
65.03935	1.7
67.05511	8.6
69.03428	10.7
69.07066	11.2
71.04973	2.6
73.51369	1.1
79.05501	7.3
81.03407	4.8
81.07059	20.7
81.19501	1.1
83.04987	3.4
83.08620	3.9
85.02901	20.4
85.06573	1.5
86.09736	1.2
87.04444	1.0
88.11066	1.1
88.48042	1.1
91.05477	20.0
93.07046	20.9
95.04990	1.3
95.08612	33.6
97.02908	8.6
97.06563	2.3
97.10167	3.6
97.96844	1.0
98.97587	1.9
99.04427	1.6
105.07030	25.3
105.07681	2.1
107.04969	1.4
107.08598	30.1
109.02940	2.6
109.06538	3.8
109.10157	19.5
110.28158	1.2
111.08081	2.4
117.07011	4.2
119.04946	18.1
119.08585	44.4
121.06509	4.3
121.10151	29.2
123.08068	2.6
123.11719	7.9
125.09626	4.2
127.03917	4.2
129.07007	2.5
131.04865	1.3
131.08556	10.8
133.10136	32.4
135.08090	2.7
135.11690	17.2
137.05992	2.2
137.09608	2.3
137.13266	1.7
139.07588	1.3
139.11234	1.4
143.08551	4.6
145.02850	1.5
145.04941	1.8
145.10139	23.0
147.04419	69.0
147.08101	1.7
147.11708	17.3
149.09680	3.4
149.13254	14.6
151.11172	2.7
153.12808	1.4
155.08475	1.6
157.10172	9.1
158.10973	1.5
159.11690	19.6
159.12868	1.9
161.09627	3.4
161.13293	18.9
163.03923	2.4
163.14851	7.3
165.05490	4.2
165.09100	8.3
169.10100	3.8
171.11710	7.7
172.12466	1.3
173.09676	2.6
173.13287	14.4
175.07547	1.3
175.11342	2.3
175.13290	2.0
175.14827	41.2
177.05421	1.7
177.12682	1.5
177.16386	8.3
178.47073	1.3
180.06586	2.1
182.10757	1.4
183.11688	3.7
184.12473	1.6
185.13261	8.6
187.14838	29.2
189.12743	2.4
189.16391	21.6
191.14326	2.8
191.17949	5.0
193.15858	6.2
199.14771	7.7
201.12749	2.1
201.16402	15.4
202.93721	1.1
203.14326	2.5
203.18004	10.3
205.12251	1.3
205.15912	8.1
207.17462	3.1
209.13225	1.6
211.14925	3.2
213.16455	7.0
215.14386	10.2
215.17940	7.3
217.15875	6.6
217.19484	1.9
219.17468	5.0
221.19087	1.8
223.14943	2.5
225.16435	2.0
227.17949	2.5
229.15930	1.4
229.19560	2.6
231.17432	3.6
233.15433	1.4
233.18973	2.0
235.16951	4.7
239.17961	2.9
241.19536	3.0
243.21083	2.5
247.16881	3.5
249.18530	2.5
251.17931	2.1
253.19559	2.9
255.21188	1.9
257.18964	1.5
259.20853	1.5
261.18466	3.3
265.19611	2.6
267.21014	2.2
275.20056	2.8
283.20529	3.0
291.20956	2.6
305.22665	1.5
311.23575	2.0
315.23236	1.4
389.31870	5.3
395.28860	1.4
401.32132	3.5
407.33032	17.0
409.34811	2.6
419.33163	20.7
425.34229	5.0
435.32846	5.7
437.34210	99.4
438.34540	1.8
453.33746	12.6
455.35263	100.0
456.35330	2.1
473.36328	31.6
507.72266	1.2
617.40442	5.8
635.20898	7.6
635.41162	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	636.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.05511	3.3
56.96567	3.5
57.07082	2.5
57.94450	1.3
63.67466	1.4
65.03938	2.0
67.05511	5.5
69.03430	2.7
69.07067	4.7
69.74124	2.2
69.74522	5.9
70.98118	2.2
71.05016	1.6
79.05511	6.6
81.07076	9.4
83.05006	1.8
83.08620	3.9
83.60587	1.2
85.02909	4.7
87.62501	1.2
91.05494	13.8
92.90343	1.3
93.07064	11.6
95.04958	2.6
95.08624	12.0
96.08958	2.7
97.02888	8.1
98.20767	1.5
98.97594	3.2
99.08121	2.7
103.05460	9.1
105.07034	12.4
107.04964	2.0
107.08601	12.3
108.08978	1.4
109.10182	9.9
111.08076	1.7
119.04983	12.2
119.08560	13.6
121.06524	11.1
121.10160	12.5
123.11729	4.1
131.04962	3.9
131.08621	6.1
133.10127	13.2
135.11722	5.8
137.06004	1.6
137.13280	2.5
143.08572	2.8
145.10132	9.3
147.04422	41.6
147.11713	7.1
148.04768	6.6
148.12117	1.5
149.13281	3.3
150.15819	1.5
157.10117	2.9
159.11734	5.9
161.13277	5.1
163.11191	1.4
163.14897	2.7
165.05516	4.4
167.07056	3.6
168.07405	1.7
171.11682	2.2
173.13274	5.9
174.13690	1.6
175.14894	4.4
177.05544	2.3
177.16338	2.9
180.06630	1.6
185.13344	3.4
187.14813	8.0
188.15184	2.6
189.16420	5.3
191.17972	4.6
193.01808	1.8
194.08220	1.5
199.14853	2.9
201.16418	10.5
202.16756	1.8
203.14398	2.7
203.17987	3.4
205.15984	5.4
207.17496	1.3
211.02782	1.8
211.14937	1.8
213.16502	3.2
215.14531	1.8
215.17990	3.5
219.17578	1.4
227.18082	1.7
229.19650	2.4
234.19482	1.4
237.02791	2.4
241.19542	1.7
247.16965	1.5
254.10391	1.5
266.11829	5.6
295.04947	1.8
335.02838	2.6
370.12863	1.8
396.12125	100.0
402.15500	6.1
407.33237	8.1
408.33517	3.5
410.35226	1.8
416.10486	2.7
425.34283	2.6
435.32712	3.8
436.33060	2.1
437.34201	1.8
440.11139	16.4
453.33774	3.3
454.33972	1.4
455.35303	4.2
473.36423	3.2
500.14825	5.0
592.19574	2.1
629.75250	1.5
635.41302	1.8
636.18518	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32850	0.9
53.03947	1.7
55.01867	2.0
56.05029	1.1
56.96563	1.0
59.74797	0.8
67.05517	1.2
69.03420	2.7
69.07067	10.7
70.06576	0.8
71.04994	1.9
71.57625	1.2
79.05485	1.8
79.39081	0.7
80.36557	0.8
81.03418	7.9
81.07099	1.3
83.04980	3.4
83.74598	1.1
84.08175	1.9
85.02916	4.2
86.09710	100.0
91.05490	12.3
91.09319	0.8
93.07062	6.3
95.04951	3.1
97.02905	2.7
99.04477	1.1
103.05434	1.3
105.07019	3.2
107.04926	2.7
107.08595	2.8
109.02875	10.0
109.06554	1.1
115.05495	1.7
117.07028	23.3
118.06509	2.2
119.08582	5.8
121.06531	6.9
121.10090	1.2
123.04450	9.6
127.03936	2.5
128.06166	1.5
128.10727	9.1
131.08583	7.7
132.10225	4.4
133.06499	1.8
133.10110	4.0
135.08063	26.0
135.09111	1.4
135.11655	1.5
137.05965	1.5
143.08549	2.6
145.06502	4.4
146.06013	2.7
149.09633	3.4
156.10216	4.4
159.08073	15.4
161.05983	1.1
161.09593	1.5
163.03862	1.6
163.07553	16.8
164.07101	2.6
169.06482	1.1
176.10710	1.2
177.09105	13.5
179.10690	1.5
181.08603	9.4
187.07503	9.7
188.07034	2.1
194.11778	2.2
195.10100	1.4
205.08607	65.8
208.13133	1.5
244.17010	3.9
246.18419	1.0
248.16566	2.3
262.17969	5.7
272.16412	1.7
290.14127	1.5
290.17502	48.9
308.18561	54.9
318.16873	1.2
336.18051	56.1
354.19345	5.2
391.45657	1.1
398.28821	1.0
416.20532	1.7
434.22198	1.1
444.20206	1.6
449.16495	2.3
452.22809	2.5
456.08383	1.6
462.21320	7.1
480.22119	8.5
498.23044	3.2
636.22388	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	637.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58162	0.8
71.58047	1.6
91.05513	1.1
137.05983	1.1
147.04475	1.2
170.11082	0.9
221.71800	0.8
235.56459	1.0
294.30826	0.8
459.10672	0.9
475.10004	10.7
547.04352	1.0
637.15302	100.0
638.15607	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	637.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	0.4
60.11798	0.3
61.65310	0.3
62.60125	0.3
67.05480	0.4
69.57855	1.9
78.13757	0.3
79.05454	0.4
80.50660	0.3
81.06998	0.4
91.05470	0.4
93.07008	0.5
116.77557	0.3
169.85278	0.3
209.10690	0.3
218.78860	0.3
221.10754	0.4
233.10669	0.5
235.12236	0.3
259.12302	0.4
326.12604	0.3
346.12970	0.3
349.14911	0.3
361.15506	0.4
362.16623	0.4
363.16406	0.4
368.90317	0.3
372.14578	0.5
373.14676	0.3
374.16574	0.4
375.16858	0.3
376.17340	0.4
377.17618	0.8
378.18610	0.5
385.14682	0.5
386.15549	0.8
387.16385	0.7
388.18164	0.5
389.17953	0.3
390.19067	0.5
391.19220	1.6
392.20386	0.6
393.20721	2.5
397.15131	0.4
398.15723	0.5
399.16135	1.7
400.17065	2.5
401.17767	2.9
402.18582	0.7
403.19467	0.6
405.20743	1.1
406.21741	0.6
407.22403	2.8
412.17508	0.6
413.17773	2.7
414.18668	3.8
415.19446	8.4
416.20654	1.5
417.20612	1.2
418.18607	0.6
419.22772	0.6
421.20166	2.6
423.16202	0.4
425.17474	1.1
426.18906	0.5
427.19830	1.9
428.20456	3.3
429.15802	0.6
429.21362	7.6
430.21899	2.5
431.18576	0.4
433.16193	0.5
435.21796	1.9
436.22586	0.5
437.17947	0.4
439.19049	0.7
441.16507	1.8
442.17395	1.5
443.18442	4.4
443.22772	3.1
444.18808	5.7
445.20660	1.9
447.17853	0.9
447.22632	0.4
448.18976	0.5
455.18854	0.9
456.19754	1.6
457.20596	5.8
458.21411	3.3
459.17957	1.1
459.22839	0.4
460.19028	0.6
461.18930	0.5
462.20029	0.4
463.21152	0.5
469.16452	0.5
470.21298	0.4
471.22351	6.8
472.23145	5.2
473.19681	4.7
474.20688	1.0
475.22083	0.4
483.17773	0.6
484.18997	0.8
485.20081	2.6
486.20609	6.5
487.21408	2.2
488.22229	0.8
489.22665	1.4
490.19720	2.8
491.20163	0.7
499.21396	11.6
500.22952	3.1
501.18765	0.9
502.19992	0.6
503.24786	4.3
504.21832	0.5
513.19159	1.8
514.20123	1.1
516.21967	1.7
517.22430	4.4
521.25604	0.5
527.20862	2.3
528.21533	0.9
530.23077	0.6
531.24017	13.0
541.22546	0.7
543.24396	1.7
544.21204	0.5
545.21625	0.6
549.24969	0.9
559.23480	88.0
560.23688	1.8
587.23004	13.7
588.23279	0.5
604.89911	0.3
605.23749	0.6
619.25574	100.0
620.25836	1.7
637.26593	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	637.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
55.62363	0.5
56.09156	0.5
61.94064	0.6
62.30738	0.5
67.05514	1.4
70.73978	1.8
76.51941	0.6
79.05495	0.7
81.07069	1.6
89.05460	0.6
90.24899	0.6
95.08590	0.6
97.06540	0.7
105.07076	0.8
107.08617	0.9
109.06519	0.6
119.08591	0.6
133.10153	0.7
141.30930	0.5
149.20151	0.6
207.17368	0.7
273.51785	0.7
289.18015	0.8
313.27319	0.8
320.61676	0.6
342.42099	0.6
389.18668	0.8
391.19168	1.2
392.20227	0.8
400.17325	1.0
401.17789	1.0
402.19421	0.9
404.20584	0.9
405.20685	2.8
406.21548	3.9
413.17722	1.4
414.18387	1.0
415.19376	2.6
417.20959	1.4
419.22626	0.9
420.22949	3.2
421.23929	7.8
427.19254	1.9
428.20016	1.7
429.20889	7.8
430.21725	2.0
433.24261	1.9
434.24646	1.4
442.21741	1.6
443.17389	0.6
443.22647	6.7
444.23611	3.2
445.19778	2.7
447.18201	1.3
455.17688	0.9
456.19638	1.0
457.24997	3.3
458.25153	5.2
459.21863	5.3
460.22641	3.0
461.19159	4.2
470.21292	1.4
471.22043	0.8
472.22800	5.9
473.24139	1.7
475.21317	2.0
476.22095	5.9
485.23672	9.8
486.19995	1.8
486.24405	3.0
487.21677	2.1
488.22275	3.1
491.24377	0.7
498.20755	0.9
499.21356	1.1
500.22067	1.8
502.23206	0.9
503.24515	15.7
503.50558	0.7
505.22818	0.9
513.22968	2.8
514.23505	1.8
517.25995	7.3
529.25940	1.7
535.27155	19.8
545.25537	65.4
546.25946	1.6
549.24902	0.9
563.26501	4.7
573.24939	16.4
573.33484	1.0
577.28284	1.0
605.27643	60.8
606.28729	0.8
637.30273	100.0
638.31018	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
57.03432	0.7
64.61687	0.5
65.03932	1.1
66.51546	0.4
69.03418	1.9
70.06582	1.2
71.04974	0.8
72.04501	0.5
72.08133	0.8
73.02896	1.3
81.03384	0.6
81.07034	1.4
84.08167	1.1
85.02901	3.6
87.04458	1.1
91.05485	20.9
93.07031	0.7
95.04963	0.5
95.08582	0.5
97.02907	2.9
103.05482	0.5
105.06912	0.6
107.08593	0.8
109.02928	0.6
109.06506	1.0
109.10172	0.5
114.10290	0.8
115.03905	1.3
119.04955	8.7
120.08067	0.6
121.06491	2.2
122.02378	0.9
123.04434	0.7
127.03928	1.1
133.04936	0.7
135.04352	0.6
136.07642	0.7
137.05980	32.7
140.03447	3.3
145.02826	0.7
145.04929	1.6
147.04416	3.9
150.05498	3.1
153.05478	1.6
154.04982	0.7
163.03934	1.4
163.06003	0.7
164.07077	10.7
165.09088	0.8
166.05002	10.5
168.06583	0.7
177.05484	1.7
178.04979	1.0
178.08635	0.8
180.06523	2.3
181.07323	1.1
184.06041	17.0
192.06577	1.1
194.08138	34.2
198.07616	2.0
205.04726	0.8
207.06619	1.1
208.09698	100.0
209.09985	1.1
210.07704	0.7
222.07660	4.3
224.09152	1.5
229.76968	0.6
232.06116	0.7
234.07593	0.7
235.16832	0.8
236.09201	1.6
238.10707	0.6
248.09456	0.6
250.07065	0.8
250.10782	1.2
252.08607	0.9
253.09453	0.7
262.07077	0.9
266.10275	1.8
267.10999	2.2
276.08655	1.3
280.08170	2.2
294.09653	2.9
306.09753	1.5
308.07681	2.2
320.11343	2.5
322.09244	3.7
330.13342	3.6
340.10178	0.9
359.23361	0.6
368.09778	8.9
382.11380	8.6
392.09848	0.7
410.10626	1.7
428.11914	24.8
429.12354	0.5
434.39102	0.5
442.13461	82.5
443.13593	1.2
452.11765	1.2
460.14587	0.5
470.12982	37.8
471.13370	0.6
484.14786	0.6
502.15366	0.7
564.17206	10.1
596.19586	1.4
606.18335	10.5
638.21338	1.9
639.20197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.4
55.01883	0.3
55.05529	0.6
57.03440	4.5
63.02412	0.3
69.03436	1.8
69.75256	0.3
69.93282	1.4
71.01372	0.4
71.04994	26.1
73.02934	0.3
75.04523	0.8
78.42630	0.3
79.05508	0.3
80.62939	0.3
81.03436	0.8
83.05009	1.0
85.02907	28.7
87.04488	0.7
89.03909	2.9
91.05519	0.3
94.06566	3.3
95.04999	0.5
97.02889	6.9
97.03501	0.4
98.20990	0.8
98.70760	0.3
99.04478	0.7
107.04974	0.8
109.02892	0.6
109.05277	0.3
110.06052	3.5
111.04473	1.0
117.03379	4.6
117.04140	0.4
122.06033	25.9
127.03913	0.8
129.04523	0.4
129.05481	6.4
132.04422	0.3
135.04427	9.1
137.05980	0.4
138.05501	4.0
140.07069	5.7
145.02852	8.5
145.11713	0.3
147.04454	0.3
147.06540	1.4
150.05507	20.5
151.03920	0.3
163.03909	91.2
164.04163	0.6
168.06563	100.0
169.06931	0.8
177.05420	0.9
181.04967	2.8
265.06909	0.4
271.81458	0.3
307.07910	1.3
309.09583	0.5
314.12396	2.6
325.09195	21.0
326.09506	0.4
330.11475	0.5
338.06805	0.4
471.14435	0.8
483.13229	0.4
484.13095	0.4
492.15033	18.4
638.19641	1.2
641.05005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.33266	0.2
55.01863	0.3
55.05499	0.5
55.60126	0.3
55.63906	0.2
57.03443	2.2
63.02383	0.5
65.03946	0.3
68.88641	0.3
69.03425	0.5
69.28191	2.2
69.28593	0.4
69.81610	0.3
70.06589	0.8
71.04998	14.3
73.02917	0.6
75.04475	0.6
79.05457	0.6
81.03416	1.1
83.04978	1.1
84.08122	0.3
85.02910	17.3
87.04462	1.0
89.03922	4.9
91.05483	1.7
94.06555	1.1
95.04945	0.3
97.02894	1.1
99.04459	0.3
107.04959	1.7
109.02898	1.0
110.06048	1.0
111.04433	0.6
117.02617	0.5
117.03388	6.8
119.04926	0.8
120.08064	0.3
121.06513	1.3
122.06034	8.4
126.65659	0.3
129.05484	3.6
131.04938	0.4
135.04424	14.6
137.05989	2.3
138.05521	1.1
140.07095	1.5
145.02855	12.1
145.03842	0.3
147.04482	0.4
147.06516	1.1
150.05524	7.4
151.03951	0.6
163.03914	100.0
164.04167	0.4
167.07108	0.3
168.06572	31.7
175.03957	0.3
177.05515	1.1
178.08752	0.4
181.04959	2.5
185.76688	0.3
204.06532	0.3
207.06512	0.3
273.07449	0.4
307.08203	2.2
309.09628	0.6
314.12320	0.7
325.09161	2.8
330.11862	2.8
471.15100	0.6
476.17502	1.3
492.15024	11.8
628.85449	0.3
638.20782	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	638.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
57.03432	0.7
64.61687	0.5
65.03932	1.1
66.51546	0.4
69.03418	1.9
70.06582	1.2
71.04974	0.8
72.04501	0.5
72.08133	0.8
73.02896	1.3
81.03384	0.6
81.07034	1.4
84.08167	1.1
85.02901	3.6
87.04458	1.1
91.05485	20.9
93.07031	0.7
95.04963	0.5
95.08582	0.5
97.02907	2.9
103.05482	0.5
105.06912	0.6
107.08593	0.8
109.02928	0.6
109.06506	1.0
109.10172	0.5
114.10290	0.8
115.03905	1.3
119.04955	8.7
120.08067	0.6
121.06491	2.2
122.02378	0.9
123.04434	0.7
127.03928	1.1
133.04936	0.7
135.04352	0.6
136.07642	0.7
137.05980	32.7
140.03447	3.3
145.02826	0.7
145.04929	1.6
147.04416	3.9
150.05498	3.1
153.05478	1.6
154.04982	0.7
163.03934	1.4
163.06003	0.7
164.07077	10.7
165.09088	0.8
166.05002	10.5
168.06583	0.7
177.05484	1.7
178.04979	1.0
178.08635	0.8
180.06523	2.3
181.07323	1.1
184.06041	17.0
192.06577	1.1
194.08138	34.2
198.07616	2.0
205.04726	0.8
207.06619	1.1
208.09698	100.0
209.09985	1.1
210.07704	0.7
222.07660	4.3
224.09152	1.5
229.76968	0.6
232.06116	0.7
234.07593	0.7
235.16832	0.8
236.09201	1.6
238.10707	0.6
248.09456	0.6
250.07065	0.8
250.10782	1.2
252.08607	0.9
253.09453	0.7
262.07077	0.9
266.10275	1.8
267.10999	2.2
276.08655	1.3
280.08170	2.2
294.09653	2.9
306.09753	1.5
308.07681	2.2
320.11343	2.5
322.09244	3.7
330.13342	3.6
340.10178	0.9
359.23361	0.6
368.09778	8.9
382.11380	8.6
392.09848	0.7
410.10626	1.7
428.11914	24.8
429.12354	0.5
434.39102	0.5
442.13461	82.5
443.13593	1.2
452.11765	1.2
460.14587	0.5
470.12982	37.8
471.13370	0.6
484.14786	0.6
502.15366	0.7
564.17206	10.1
596.19586	1.4
606.18335	10.5
638.21338	1.9
639.20197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03924	1.4
53.53230	0.4
55.01859	0.7
55.05500	0.6
57.03445	4.6
68.33395	0.5
69.03411	1.9
71.01349	0.6
71.04996	26.8
71.56990	0.4
73.02921	0.7
75.04464	1.1
81.03403	0.9
83.04976	1.4
85.02911	32.4
87.04473	12.6
89.03922	3.3
91.05471	3.0
92.04972	0.4
93.07056	3.5
94.06570	4.1
95.04946	1.3
97.02916	3.5
99.04479	0.6
103.05475	2.2
105.04470	0.6
107.04950	1.1
110.06038	4.2
111.04434	0.8
117.03389	4.6
118.06538	0.9
121.06515	17.1
122.06039	23.5
127.03922	0.7
129.05484	6.8
135.04422	10.0
137.05994	0.5
138.05496	3.7
140.07063	5.1
144.04425	1.8
145.02850	8.9
146.06021	4.0
147.06535	1.9
150.05522	19.2
151.03944	1.2
162.05577	1.0
163.03915	91.5
164.04222	0.9
168.06573	100.0
172.04002	0.7
176.07092	2.2
178.08653	13.7
181.05003	2.0
190.05019	1.5
204.06628	1.7
222.07651	2.8
262.10803	0.9
264.12302	3.9
276.08896	0.8
290.10312	1.6
307.08237	0.7
308.11307	17.9
314.12360	2.1
325.09183	7.3
428.16953	1.2
446.18356	0.6
488.19150	0.8
492.15024	18.0
518.19952	0.6
548.21497	1.6
638.24469	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.6
53.03909	1.4
57.03421	0.8
57.30924	0.3
61.02895	0.3
64.22154	0.3
65.03905	0.6
69.03383	0.9
70.06552	0.9
71.04998	4.8
71.55879	0.4
71.92771	0.3
73.82985	0.3
75.04456	0.3
79.05458	0.5
81.03416	0.5
84.08128	0.5
85.02913	6.6
87.04474	26.9
89.03860	0.9
91.05487	8.9
93.07050	7.4
94.06549	0.5
95.04923	1.3
95.05470	0.3
97.02857	0.9
103.04802	0.4
103.05474	5.9
105.04504	0.7
107.04915	0.5
110.05979	0.5
110.07091	0.4
112.11247	0.5
114.09160	0.4
117.03398	1.7
117.05724	1.5
118.06535	2.5
119.04900	1.0
121.06514	38.2
122.06049	3.8
122.06858	0.6
124.22414	0.3
129.05482	1.6
131.03299	0.3
132.08060	0.4
134.09663	0.5
135.04405	3.6
136.07564	0.6
137.05994	5.1
138.05446	0.5
140.07034	0.4
144.03418	0.4
144.04456	4.3
145.02870	2.3
146.06024	10.9
150.05540	2.3
153.05397	0.4
162.05516	3.3
163.03917	25.6
164.07063	1.2
168.06570	11.6
172.03972	1.8
176.05553	0.3
176.07077	7.2
178.08644	32.9
179.09319	0.5
181.04913	0.6
190.05003	2.8
193.10880	0.3
194.08055	0.9
196.09679	0.5
204.06557	5.5
222.07645	7.6
224.27249	0.3
236.09190	0.5
238.10759	1.0
239.11526	0.6
248.09163	1.4
250.10732	1.2
262.10770	3.9
264.09155	0.5
264.12299	9.3
265.13156	1.4
276.08716	2.0
280.11835	0.5
282.13348	0.5
290.10248	5.6
294.09766	0.6
308.11295	44.3
310.12775	0.6
311.86267	0.4
324.10846	1.1
324.14407	0.5
325.09036	1.7
330.11716	0.6
330.82816	0.3
401.98001	0.4
428.16885	2.6
446.18222	2.0
476.19098	0.9
488.19443	1.7
492.15063	3.2
518.19977	1.9
548.21387	2.4
620.24115	0.7
638.24432	100.0
639.24512	1.8
654.57831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24184	1.3
56.96560	1.9
67.05537	1.8
68.51281	1.4
69.11550	1.3
70.06614	1.6
70.69579	3.8
71.05008	2.5
79.05499	2.6
81.84077	1.4
85.02903	4.0
91.05479	6.4
92.11981	1.6
93.07051	5.8
95.04990	2.7
97.02921	1.9
98.21233	2.4
98.64839	1.6
103.05487	4.0
105.07049	1.7
117.07045	2.6
118.06563	29.5
119.08623	1.6
121.06521	53.4
124.16247	1.4
133.10115	2.0
135.61118	1.2
136.07495	1.5
142.06490	2.7
143.07310	3.3
144.08116	21.1
146.06026	100.0
160.07549	1.6
163.03915	3.0
166.04984	2.8
170.06104	6.7
180.06564	17.8
188.07089	83.5
193.04530	1.3
222.07640	12.4
238.06950	1.4
254.10330	2.1
261.85522	1.5
263.08157	1.7
280.08051	2.1
289.09723	2.1
303.16132	2.9
305.12875	1.9
313.85107	1.4
315.16165	2.2
317.22385	1.5
328.11749	3.0
333.17322	5.8
335.10266	21.8
349.11847	5.1
395.12259	8.1
409.13977	47.7
437.13455	18.1
455.16016	8.0
477.21463	4.2
478.22043	1.7
495.22348	4.0
515.18225	52.5
529.20135	2.4
535.90771	1.7
537.23578	2.1
553.29419	1.6
557.19299	8.9
639.30133	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40947	0.2
54.71525	0.1
57.03448	0.2
65.03947	0.3
67.01860	0.2
68.99798	0.3
69.03426	0.4
69.80206	0.8
70.06602	0.2
70.36195	0.1
79.05499	0.3
81.03423	1.1
81.07050	0.3
84.08145	0.2
85.02869	0.4
85.06472	0.2
89.03918	1.4
91.05473	1.0
93.07062	0.4
93.54063	0.1
95.04942	0.5
95.08572	0.2
97.02902	1.0
103.05467	0.2
105.07022	0.3
106.04135	0.2
107.04932	0.2
109.02850	0.6
109.06539	0.2
109.10141	0.2
110.07158	0.2
117.03383	4.4
119.04972	0.9
119.08561	0.3
120.50121	0.1
121.06493	0.5
121.10157	0.3
123.04436	0.3
125.05985	0.2
129.01974	0.2
129.07022	0.2
131.08646	0.2
133.06497	0.2
135.04440	0.4
136.07571	0.2
137.05978	0.8
145.02852	11.0
147.04454	0.8
147.32607	0.2
149.05975	1.8
151.03925	0.8
151.07426	0.2
153.01830	3.6
153.02989	0.2
153.05534	0.3
155.70723	0.1
161.05963	0.2
163.03903	0.5
163.11169	0.1
165.05443	0.9
165.09123	0.4
167.03435	0.3
167.07050	0.6
171.02898	0.7
175.03897	1.7
175.07510	0.2
177.05476	30.2
180.06543	0.6
180.77000	0.2
181.05188	0.2
186.05508	0.4
187.07536	0.2
195.06482	0.4
207.06520	2.6
207.08327	0.2
219.48021	0.1
222.07402	0.2
225.07558	0.2
229.04999	0.2
233.08022	0.2
255.06427	0.2
258.05243	12.4
259.05923	0.2
271.06018	18.3
272.06308	0.2
274.35928	0.2
286.04724	33.2
287.05234	0.3
296.16205	0.2
301.07068	100.0
302.07443	0.9
321.09717	2.1
339.10693	1.3
351.10748	0.2
443.14514	0.5
454.41153	0.2
458.15689	0.2
639.16943	0.6
639.33447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
65.39143	0.4
67.05509	0.5
69.53857	2.8
79.36720	0.4
93.07040	0.4
98.21514	0.5
118.33547	0.4
187.38083	0.4
196.23099	0.4
196.90456	0.4
222.43898	0.4
223.12560	0.5
230.97504	0.4
236.17865	0.4
252.74609	0.4
296.68433	0.4
326.16519	0.5
376.16403	0.6
377.17664	1.2
384.16867	0.4
389.18475	0.9
390.18445	0.7
391.19049	3.2
392.20197	0.7
402.19495	0.4
404.20609	1.2
405.20764	8.2
406.21448	3.7
418.22217	0.5
419.22791	2.1
420.23117	4.6
421.17023	0.5
421.23932	3.8
433.20386	2.5
433.24890	1.0
434.24811	1.1
435.18283	0.8
436.19003	2.0
445.20306	0.7
447.21921	1.1
448.22592	0.5
449.19727	1.8
450.20590	2.2
451.21304	1.9
452.22156	3.0
460.22488	1.5
463.21243	1.5
464.22137	1.4
465.22913	30.8
473.19736	1.0
474.20621	0.7
475.25287	1.2
477.26486	1.4
478.23740	0.8
479.24365	5.9
480.25082	3.5
485.13049	0.5
487.21127	1.5
488.22122	1.8
491.20905	1.7
492.21509	2.3
493.26083	3.2
501.22662	0.8
502.24069	0.5
503.24496	22.5
504.24677	1.1
505.22537	1.3
519.23669	0.7
521.25598	13.6
537.25037	6.5
547.23578	1.3
565.24469	42.9
566.24847	0.8
579.25995	0.7
580.26837	14.7
607.25482	11.8
622.27930	0.6
639.28162	100.0
640.28571	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03085	0.7
55.05511	9.0
57.03437	1.3
57.07076	8.8
59.04991	2.6
65.03944	0.7
67.05507	10.6
69.03426	4.0
69.07070	44.2
70.06580	1.2
70.74303	0.7
71.04992	1.4
71.08625	1.1
73.06555	1.7
73.11735	0.6
79.05487	5.4
81.03411	1.0
81.07059	64.5
83.08621	12.2
85.02888	2.7
85.06545	8.2
87.04488	1.1
91.05492	4.6
93.07055	13.8
95.08611	27.9
97.02896	4.2
97.06528	5.3
97.10165	2.8
99.08087	3.1
101.06018	0.8
103.05447	1.2
105.07031	2.6
107.08601	13.8
109.06509	0.8
109.10159	18.1
111.08085	4.1
111.11716	15.5
112.69836	0.7
113.09660	1.0
115.03931	1.1
115.07551	1.5
117.03389	1.1
119.04931	1.8
119.08563	1.9
121.06497	2.4
121.10139	4.5
123.11710	100.0
125.13269	2.7
127.11193	8.2
129.12762	1.6
133.10101	1.9
135.08125	1.0
135.11702	14.7
137.05978	8.4
137.13261	8.5
138.06363	0.9
139.14790	1.1
143.14305	2.8
145.02866	3.2
147.11632	1.6
149.06075	1.1
149.13278	9.1
151.14925	1.1
153.12755	22.4
155.14319	7.2
161.05922	0.8
163.03941	2.0
163.07527	1.0
163.14812	2.6
165.05505	1.0
165.09177	1.0
165.16440	0.9
167.14345	1.4
171.13792	7.0
175.07513	0.9
177.05438	3.4
180.06578	1.2
191.18082	0.9
203.18190	0.8
207.06514	1.7
225.22148	2.9
237.53557	0.9
239.23793	4.0
279.26834	3.5
286.04907	0.9
291.26816	7.4
297.27869	22.4
301.07117	2.5
309.27875	69.6
327.28943	23.1
345.30270	1.0
410.11758	0.8
639.33545	2.3
664.51654	1.0
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
53.03939	0.5
55.05508	0.2
55.43198	0.2
57.03437	1.4
63.68139	0.2
69.03433	1.3
69.72049	1.0
71.01319	0.2
71.04996	5.7
75.04456	0.2
79.05490	0.7
81.03405	0.8
81.07063	0.2
83.04998	1.1
85.02908	6.5
85.67295	0.2
87.04487	0.4
89.03910	2.7
89.99346	0.2
91.05480	1.3
95.04970	0.4
97.02895	4.3
99.04462	0.5
101.02406	0.2
107.04958	1.9
107.23241	0.2
109.02881	0.4
111.04441	1.3
117.03384	3.8
119.04923	0.6
121.06519	0.5
123.04454	0.8
125.06011	0.3
127.03910	0.6
129.05461	1.5
135.04417	11.0
137.05014	0.2
137.05986	3.0
137.59187	0.2
145.02844	7.7
145.03995	0.4
146.08073	0.2
146.25354	0.2
147.06523	0.4
153.05470	2.8
153.06584	0.1
163.03906	100.0
164.04240	0.6
164.09184	0.4
165.05458	0.3
181.04962	1.4
192.87869	0.2
205.12378	0.2
250.11169	0.2
251.09187	0.2
263.09116	0.2
265.07144	0.2
307.08133	0.6
309.09680	0.2
325.09183	15.0
335.47021	0.2
425.43832	0.2
459.13062	0.2
477.13879	0.6
500.44659	0.2
558.47894	0.2
640.23199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00225	0.1
53.03933	0.5
55.01862	0.3
55.05503	0.4
57.03183	0.2
57.03440	2.5
57.34633	0.1
60.04525	0.3
61.02926	0.2
62.93525	0.1
63.02398	0.4
69.03431	1.4
69.43147	1.0
71.01357	0.2
71.04999	14.1
71.29616	0.1
73.02918	0.2
74.89243	0.1
75.04471	0.5
77.03964	0.2
79.05495	1.5
81.03429	0.8
83.04997	0.8
83.59781	0.1
85.02910	16.8
87.04464	0.5
88.41345	0.1
89.03915	2.7
91.05475	0.3
95.04951	0.3
96.04480	0.2
97.02278	0.3
97.02898	4.7
98.06052	0.2
98.20808	0.3
98.21468	0.3
99.04449	1.3
101.02373	0.3
102.07693	0.2
107.04960	5.0
109.02895	0.3
111.04443	0.9
111.54954	0.2
117.03386	3.9
123.04465	0.3
126.05602	0.2
127.03901	0.4
129.05490	4.1
135.04427	13.1
137.05983	0.5
144.06540	0.5
145.02855	8.0
145.03842	0.1
146.08116	1.7
147.06503	1.1
153.05479	8.4
161.05971	0.2
163.03912	100.0
164.04272	0.9
164.09218	1.3
165.05492	0.3
168.06505	0.2
175.07556	0.1
177.05467	0.4
181.04980	2.0
189.05524	0.2
203.07120	0.3
204.63394	0.1
215.07111	0.2
249.10074	0.1
255.77103	0.2
261.07758	0.3
264.78442	0.2
265.07132	0.1
291.08554	0.2
307.07974	0.7
309.09656	0.7
320.03494	0.1
325.09198	19.0
326.09659	0.3
435.49557	0.2
459.12823	0.6
471.14978	0.3
494.16006	0.2
600.55725	0.1
640.22180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15685	1.5
55.01868	2.5
55.05513	19.0
57.03439	7.4
57.07079	12.9
58.33067	1.1
65.03936	1.5
67.05508	19.8
69.03419	2.9
69.07077	6.8
69.48643	2.4
69.49049	6.2
71.08631	8.5
79.05495	19.4
81.07062	16.2
83.04982	3.2
83.08625	14.2
85.10193	5.8
91.05490	11.0
93.07059	10.9
95.04982	2.1
95.08615	14.1
97.06552	1.9
97.10176	28.2
98.20744	2.0
101.74075	1.1
105.07038	11.5
107.04964	1.6
107.08601	25.8
108.77423	1.1
109.06506	1.8
109.10166	8.8
111.08116	2.6
111.18682	1.1
117.07021	3.1
119.08601	5.2
121.10155	4.8
123.11657	2.0
125.09637	27.3
129.07016	1.6
131.08582	3.5
133.10149	5.7
135.08057	4.3
145.10135	8.7
147.11676	4.0
149.09660	2.7
153.09178	1.5
159.11739	1.8
161.13269	1.4
165.50519	1.3
171.10217	2.4
185.13266	1.7
189.11238	18.6
196.30801	1.1
203.14325	1.8
219.17476	1.9
227.12791	100.0
232.33405	1.3
239.17970	1.4
257.19022	7.9
267.15933	1.7
275.20062	25.1
311.25925	1.6
313.27377	44.0
331.22736	3.9
349.23770	25.7
378.40405	1.2
483.36807	10.5
502.51999	1.2
511.57236	1.2
569.45294	1.3
587.46698	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	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01857	3.4
55.05266	1.4
55.05514	19.8
57.03182	1.5
57.03440	17.0
57.07079	47.9
65.03926	1.9
67.05507	58.8
69.03425	2.7
69.06723	1.5
69.07074	25.6
69.59019	1.6
69.59428	5.4
71.04980	3.5
71.08635	35.2
79.05496	38.4
81.03401	4.3
81.07062	64.4
83.04979	6.9
83.08621	21.0
85.06528	3.1
85.10189	19.7
87.04484	1.2
89.06008	1.3
91.05485	33.4
93.06474	1.6
93.07054	39.3
95.04974	8.4
95.08612	48.5
97.06531	9.5
97.10168	10.0
99.08089	2.1
99.11744	1.6
102.20708	1.2
105.07034	27.8
107.04939	4.1
107.08598	24.0
109.06500	5.8
109.10162	19.2
111.08076	3.6
111.11732	1.4
117.07009	13.8
119.08588	17.9
121.06488	2.9
121.10155	16.0
123.08071	2.6
123.11766	5.2
125.09608	2.1
129.06989	4.8
131.08583	15.2
133.10138	15.8
133.57994	1.2
135.08014	3.3
135.11714	10.3
137.09630	2.8
137.13219	1.4
143.08563	4.1
145.10132	11.8
147.08186	1.3
147.11682	10.4
149.09616	6.8
149.13248	9.1
151.11221	1.9
151.14775	1.6
157.10120	4.3
159.11700	11.4
160.58336	1.3
161.13260	2.9
163.11131	2.8
165.12830	1.8
169.10130	1.2
171.11679	2.7
173.13246	4.5
177.12743	3.0
181.12270	1.8
183.11639	3.2
185.13246	3.5
189.16412	1.2
191.14272	1.6
195.13843	5.5
197.13182	2.0
199.14891	2.0
203.14270	1.9
217.15916	2.1
219.17499	2.0
227.12648	1.7
229.14403	1.5
229.19434	1.9
233.15392	1.7
235.17024	1.2
239.17920	3.5
239.23636	6.7
247.20560	1.8
248.93700	0.9
251.16415	1.8
255.15933	13.4
257.19034	8.9
257.24838	1.5
267.15817	2.5
269.17493	21.3
275.20059	32.5
275.23126	1.7
283.19171	2.1
291.19528	2.9
293.21112	3.6
309.20575	4.1
313.27368	100.0
314.27774	1.4
331.22507	1.4
341.26859	2.1
349.19833	1.6
349.23776	25.5
367.24805	4.7
467.37378	2.9
493.38968	18.9
507.40466	97.2
521.41510	1.6
547.43652	15.3
587.46564	16.9
593.77423	1.2
605.47845	5.0
631.44922	1.0
645.47882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51213	2.2
53.03939	4.2
55.01883	4.0
55.05508	18.5
57.03435	15.4
57.06825	3.3
57.07081	43.5
65.03886	3.1
67.05505	55.5
69.07066	30.4
71.08635	29.6
71.26844	5.9
79.05500	35.9
81.07065	53.2
83.04975	4.0
83.08618	14.2
85.10187	13.0
91.05478	37.2
92.40918	2.3
93.07043	29.7
95.04941	3.7
95.08609	51.3
97.06538	5.5
97.10188	15.8
99.08109	3.2
105.06384	3.5
105.07040	36.2
107.04945	5.4
107.08600	24.2
109.06499	3.6
109.10161	17.0
117.06999	14.3
119.08587	32.5
119.60023	2.5
121.10155	10.5
123.08014	2.9
123.11735	6.4
125.09634	11.5
129.06990	9.6
131.08603	16.2
133.10136	20.4
135.11668	8.3
143.08563	7.8
145.10176	18.2
147.11681	10.3
149.09605	10.4
149.13197	5.1
157.10124	6.7
159.11661	11.8
161.13231	6.2
163.11183	8.2
169.10085	3.7
171.11690	4.8
173.13252	9.1
175.14821	2.5
183.11639	4.7
185.13312	12.4
189.11209	5.8
190.40836	2.6
197.13351	4.0
201.16441	2.9
203.14252	7.2
207.00584	2.8
207.02512	2.5
219.17416	4.7
227.12804	33.0
239.17906	6.2
239.23770	4.6
251.43567	2.6
257.19012	19.0
267.15884	6.4
275.20096	55.4
298.04544	2.7
313.27371	100.0
331.22653	6.3
349.23730	56.0
467.37250	9.1
483.36636	5.4
491.40863	4.4
507.40561	4.2
515.82288	2.9
524.42914	5.3
587.46716	44.7
605.47644	4.0
640.51270	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	641.185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74605	0.5
69.03423	0.7
71.05025	0.6
71.56597	1.2
85.02899	4.0
93.37601	0.8
97.02894	1.3
101.00923	0.7
104.14125	0.6
127.03942	0.9
131.48065	0.5
137.06029	1.8
150.49838	0.6
163.03899	1.0
223.06734	0.8
274.07104	0.7
297.08447	0.6
641.18463	100.0
642.18408	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.3
67.05511	1.8
69.07072	2.0
71.05016	1.4
71.58136	1.4
71.58506	1.4
77.60587	1.3
79.05497	2.9
80.05008	1.5
81.07037	2.8
91.05492	4.1
93.07039	5.2
94.06565	6.2
95.07351	6.9
95.08607	2.8
96.08118	9.0
107.08556	1.3
108.08124	8.6
109.10123	1.3
110.09695	18.8
120.04489	1.8
120.08120	14.9
122.06031	8.4
128.62717	1.2
136.07590	6.3
137.05945	1.4
138.09131	19.6
146.06094	2.0
148.07600	3.0
163.03932	2.6
165.09096	1.4
166.08658	22.0
173.55862	1.4
192.79388	1.1
211.08632	2.3
221.10764	2.4
235.08707	2.6
237.10359	2.0
247.08720	3.7
248.09409	2.6
249.10260	19.6
250.10995	1.6
261.10315	2.6
263.11850	2.2
265.09839	1.8
275.08255	3.3
277.09735	11.7
278.10486	1.2
283.10800	1.8
290.10641	1.5
291.11398	2.1
309.12469	7.5
312.11560	2.0
312.14844	1.3
313.12778	1.4
322.13629	1.8
326.13068	4.9
327.13702	2.4
328.11090	1.4
328.14850	2.3
336.14984	1.6
338.12894	1.7
338.16611	2.9
339.10315	1.7
339.14328	3.5
340.10913	3.3
340.14545	5.7
341.11710	2.5
341.15436	2.0
342.12378	3.2
342.16104	2.9
343.13162	1.7
350.13019	2.0
351.14185	1.3
352.14850	1.6
353.11615	3.5
354.12433	9.2
354.16162	2.7
355.12927	6.8
356.10281	1.3
356.13879	6.4
356.17792	1.7
357.14545	2.3
358.15631	2.1
364.14398	7.4
366.12097	2.5
366.16159	6.1
367.13388	7.3
368.10101	2.6
368.14081	19.1
369.14780	7.6
370.11417	1.6
370.15784	6.1
379.13257	2.6
380.14233	2.4
382.11102	7.9
382.16110	12.1
383.12256	3.0
383.16428	3.9
384.17252	13.1
385.14362	2.9
391.46198	1.4
392.14001	4.0
394.15860	2.9
395.12753	3.7
396.13477	9.0
397.14401	4.2
398.14511	1.3
398.18832	12.7
400.16684	4.1
402.14474	1.8
410.15112	10.9
412.16730	10.9
413.13705	1.7
414.14499	2.6
415.15509	1.6
420.13550	4.2
426.14526	4.7
428.16110	7.6
429.17279	1.6
438.14511	29.6
442.17682	4.0
444.19894	9.7
456.15607	71.7
458.17065	9.7
470.17496	2.8
476.18222	44.2
488.18201	31.1
563.22760	1.6
591.22369	10.4
595.25488	3.4
609.23425	27.5
613.26807	2.0
623.25006	25.9
637.11517	1.4
641.26068	100.0
642.26294	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05510	17.0
57.03430	1.4
57.07079	12.4
59.04978	1.3
65.03921	1.4
67.05508	23.5
69.03426	8.3
69.07070	51.8
69.40629	1.5
69.41037	6.8
70.06580	1.3
71.04995	1.5
71.08647	5.3
73.06569	1.8
79.05489	9.9
81.03398	2.7
81.07059	87.8
83.04961	1.6
83.08620	26.0
85.02902	8.3
85.06541	12.0
85.10172	3.5
87.04441	2.8
89.03903	1.7
91.05476	6.6
93.07050	14.8
95.04957	3.9
95.08611	100.0
97.02908	13.9
97.06557	1.5
97.10167	20.8
99.08087	6.9
103.05466	1.5
105.07030	4.3
107.04980	2.1
107.08601	16.9
109.02888	1.9
109.06504	1.5
109.10158	61.9
111.08076	2.3
111.11720	18.7
113.09621	2.4
115.03920	3.2
117.03384	2.4
117.07006	1.0
119.04938	5.6
119.08569	1.4
121.02831	1.3
121.06494	3.1
121.10135	9.6
123.04445	1.3
123.10813	1.7
123.11711	29.6
125.05981	1.6
125.09707	1.6
125.13282	9.7
127.03883	1.6
127.11190	8.2
129.07022	1.4
129.12743	3.4
131.04889	1.5
131.08534	1.6
133.04964	2.2
135.04407	2.6
135.08026	1.7
135.11702	10.8
136.44505	1.1
137.05962	6.1
137.09576	1.3
137.13257	17.4
139.14804	2.6
141.07014	1.0
143.14294	7.0
145.02864	7.0
145.04968	2.1
147.04420	4.5
147.08023	1.5
147.11629	1.0
148.04697	1.9
149.02380	1.6
149.13266	19.2
151.03889	16.1
151.14825	31.4
153.01819	2.1
153.12752	5.7
155.14302	2.8
157.15897	1.5
163.03891	5.2
163.07521	1.3
163.14828	10.1
165.09143	4.5
165.16399	13.0
167.03413	3.1
167.07001	3.5
167.14297	1.4
168.03653	2.0
169.15916	6.6
171.13792	3.2
173.15390	2.2
175.03905	7.0
175.07545	1.6
176.04242	2.0
177.05467	9.2
177.16385	2.3
178.05785	1.4
179.17970	5.3
181.04941	2.6
183.16023	1.0
183.17467	4.1
185.19104	1.1
187.07602	1.3
189.09093	1.4
191.06970	1.1
191.17915	2.7
193.19513	3.0
197.19016	2.0
199.20552	2.7
203.07004	1.6
205.19476	2.4
207.06537	16.6
208.06940	7.7
219.06450	1.2
219.21049	3.2
233.22685	1.2
237.22157	3.8
239.23705	2.7
249.25844	2.2
255.65280	1.2
263.27362	1.7
267.26843	1.5
271.05826	1.2
275.27386	13.4
281.28323	8.6
286.04599	1.5
287.05502	68.3
288.05710	3.2
293.28400	40.2
295.07733	1.4
299.29504	2.0
301.07022	2.6
302.07352	2.1
303.07828	2.2
311.29456	31.7
322.10056	1.9
329.30554	15.4
332.73602	0.9
337.09299	1.6
389.30585	1.2
407.02386	1.0
437.32352	1.1
445.15439	1.7
641.13666	1.5
641.23065	2.2
641.34717	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.2
55.01868	10.4
55.05520	25.8
57.03440	19.8
57.07071	6.0
59.06124	20.0
62.83791	4.4
65.03932	6.2
67.05183	4.7
67.05513	81.2
69.03427	5.1
69.07063	19.2
70.69008	3.8
70.69366	9.8
71.04996	8.9
79.05122	4.6
79.05504	51.9
81.03417	9.7
81.07066	63.4
83.04967	11.4
83.08629	9.2
85.06543	24.3
91.04971	5.2
91.05495	71.2
93.07051	57.3
94.89135	4.1
95.04976	61.9
95.08606	47.3
97.06525	8.5
97.10165	5.6
105.07040	48.8
107.04946	13.2
107.08598	36.9
108.58280	3.5
109.06532	48.9
109.10167	14.7
111.08093	4.7
113.06017	100.0
115.05419	5.6
117.07037	27.2
118.93109	3.2
119.08578	34.9
121.06515	14.1
121.10138	18.9
123.08047	9.3
125.09647	3.9
129.06982	18.8
131.08591	35.9
133.06499	7.9
133.10170	32.6
135.08073	36.2
135.11696	11.3
137.09631	4.2
141.07053	8.4
142.07813	3.6
143.08563	19.1
145.06458	5.2
145.10104	31.1
147.08064	7.8
147.11676	14.1
149.09610	8.1
149.13290	7.6
152.27679	3.9
155.08586	6.5
157.10132	17.7
159.08070	8.7
159.11754	29.2
161.09587	13.6
161.13252	14.3
163.03894	8.3
163.11209	6.2
167.08571	4.6
169.10156	10.6
171.11752	18.1
173.09634	6.1
173.13263	10.4
175.14764	4.9
180.06602	8.3
181.10103	8.1
183.11720	8.1
185.13283	9.0
187.11197	4.8
187.14886	6.1
195.11728	7.9
199.11008	3.5
199.14818	8.6
209.13266	7.0
211.14793	5.1
215.17903	5.1
217.15900	9.7
227.18071	5.4
241.19547	11.3
257.19089	6.1
259.20572	14.7
273.18576	25.4
275.20200	6.5
278.04205	12.3
279.15897	12.9
289.17877	4.2
291.19565	51.1
315.23349	6.5
333.24310	27.7
347.22119	6.7
365.23383	12.8
513.37091	6.9
531.38257	6.5
549.39227	4.9
605.41742	12.5
623.43030	75.7
624.43549	4.6
641.44135	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
54.02895	0.1
55.01878	0.2
55.05514	0.1
56.22965	0.1
56.99779	0.1
57.03441	1.7
63.02378	0.2
63.87960	0.1
69.03430	1.5
70.06577	0.1
71.01357	0.2
71.04997	9.8
71.58727	0.1
73.02909	0.2
75.04489	0.4
79.05486	0.5
81.03429	0.7
83.04992	0.8
85.02910	11.3
87.04467	0.3
89.03924	2.2
91.05479	0.1
97.02898	3.3
99.04460	0.5
101.02382	0.1
107.04965	1.0
109.02914	0.2
111.04437	0.3
117.03391	4.0
119.04919	0.1
122.06056	0.2
127.03901	0.5
129.04497	0.2
129.05482	3.9
135.04427	8.1
136.04762	0.1
137.05986	0.4
145.02855	8.5
146.08116	0.2
147.06520	1.6
149.02376	0.2
150.05527	0.5
151.07530	0.1
152.07124	0.2
161.06000	0.1
163.03912	100.0
164.04266	1.4
164.09172	0.3
165.04327	0.1
165.05548	0.3
167.07007	0.1
177.05469	0.2
179.07053	0.3
180.06587	0.7
181.04974	1.8
193.44757	0.1
197.65622	0.1
203.07016	0.2
223.06050	0.1
245.08228	0.2
247.09735	0.2
255.08511	0.1
263.09076	0.2
265.07025	0.3
273.07510	0.3
291.08664	0.4
300.20416	0.1
307.08124	0.7
309.09689	1.6
317.10278	0.2
325.09195	18.6
326.09622	0.3
349.20181	0.1
435.12585	0.1
471.14896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
57.03446	1.5
62.26912	0.2
63.02375	0.2
67.21896	0.2
69.03419	0.8
69.43818	1.3
69.44222	0.4
71.05000	8.3
71.32524	0.2
73.43474	0.2
75.04475	0.4
79.05515	0.5
81.03410	0.3
83.04982	1.1
85.02911	8.9
87.04485	0.2
87.31250	0.2
89.03918	3.4
91.05482	0.3
97.02886	1.6
99.04462	0.4
99.80147	0.2
102.76025	0.2
107.04956	0.9
110.36967	0.2
111.04467	0.6
114.71635	0.2
117.03386	3.7
127.03915	0.4
129.05487	2.7
135.04427	8.8
137.05908	0.2
145.02859	7.9
145.03923	0.3
146.08112	0.6
147.06532	1.5
151.07562	0.2
158.24200	0.2
161.05937	0.2
163.03915	100.0
164.04269	0.8
164.09187	1.4
165.05505	0.4
179.06966	0.3
181.04996	0.9
186.05594	0.3
203.07101	0.3
247.09660	0.3
263.09256	0.3
273.07562	0.5
281.45322	0.2
291.08673	0.5
307.08212	0.4
309.09561	1.4
325.09158	4.4
388.51651	0.2
448.12286	0.2
461.14557	0.2
532.65479	0.2
582.09814	0.2
587.24078	0.2
594.12909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
53.77039	0.2
57.03422	0.9
63.02375	0.3
69.03422	0.7
70.02406	0.2
70.06580	0.3
71.04258	0.5
71.04999	6.9
75.04496	0.3
79.05479	0.6
81.03436	0.5
83.04978	1.0
85.02911	7.5
87.04463	0.3
89.03926	5.2
91.05476	0.5
93.03408	0.3
97.02904	3.2
99.04442	0.3
105.18411	0.2
107.04953	1.3
109.02878	0.6
111.04457	0.9
117.03387	8.8
118.03764	0.3
119.04973	0.2
123.04404	0.3
127.03907	0.6
129.05501	2.4
135.04433	11.9
137.05965	2.0
145.02855	18.6
146.46179	0.3
147.06526	0.8
149.06009	1.5
151.07585	0.3
157.06520	0.3
163.03915	100.0
164.04257	0.8
164.09180	0.2
165.05511	0.7
167.03421	1.1
175.03970	0.2
175.07596	0.4
175.41441	0.2
177.05484	18.2
178.05872	0.3
179.07036	0.8
181.04962	1.2
185.06070	0.3
187.03940	0.4
189.05431	1.7
199.07573	0.2
203.06992	0.6
205.04901	0.3
215.07120	0.2
221.08243	0.4
221.29842	0.2
227.06976	0.2
227.81590	0.3
231.06624	0.2
245.08156	0.9
247.09656	0.4
255.06718	0.3
263.09216	1.2
273.07498	1.7
281.10175	0.3
291.08557	1.5
307.08176	0.6
309.09583	2.2
325.09253	2.8
461.14334	0.7
642.22424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03939	1.9
55.05497	1.3
56.96534	0.9
57.07074	1.6
65.03954	4.7
67.05519	4.3
69.03424	2.2
69.07067	2.4
70.06582	2.5
70.52502	2.6
72.08153	2.2
79.05499	6.6
81.07062	65.8
85.01503	0.8
85.02891	2.0
86.09695	1.4
89.03924	4.4
89.68342	0.8
89.95887	0.8
89.96452	0.8
91.05477	2.6
93.03416	7.8
93.07068	1.7
95.04964	0.8
95.08617	10.8
97.02898	100.0
98.20882	0.9
98.97573	1.1
103.05486	1.6
107.08601	0.8
109.10142	1.8
110.03630	1.3
112.11311	0.8
117.03392	11.4
119.04933	1.2
121.02869	2.5
121.06509	6.4
121.10121	1.0
124.05222	1.1
125.02361	1.4
125.05909	1.4
129.05444	1.1
129.07010	3.4
130.53325	0.9
133.04965	1.0
133.10129	1.0
135.04456	4.0
137.06001	2.6
137.13251	13.5
141.06976	2.3
145.02856	36.4
145.04019	1.9
147.04413	1.2
149.02338	9.2
149.05980	3.8
151.03922	2.2
155.08438	0.8
157.06505	5.5
163.03909	20.6
164.04195	1.0
165.05745	0.9
165.09174	0.9
167.03421	65.9
167.04752	2.3
169.06473	2.3
172.03929	1.0
175.03902	1.7
175.07607	1.2
177.05487	93.8
185.05978	1.9
186.05554	1.4
187.07513	0.9
189.09126	7.2
199.07492	6.4
203.07114	0.9
207.06570	2.3
213.05547	1.0
216.41983	0.9
217.08588	8.1
227.07028	5.7
245.08142	14.1
259.06070	1.8
269.12067	1.0
273.07654	5.7
291.08646	51.7
295.08011	0.9
309.09726	13.6
339.10672	1.1
392.74347	1.0
642.34198	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01849	1.1
55.05517	9.5
57.03438	5.5
57.07081	23.9
67.05508	33.0
69.07082	12.2
71.04995	2.3
71.08638	21.2
79.05503	16.4
81.03432	2.5
81.07063	35.1
83.04976	7.2
83.08618	12.5
85.06540	1.3
85.10190	11.2
91.05488	15.0
93.07055	20.9
95.04970	5.1
95.08614	24.9
97.06532	4.6
97.10164	5.0
99.08076	1.9
105.07043	7.4
107.08587	9.1
109.06567	2.1
109.10159	11.8
111.08088	2.4
117.07014	4.0
119.08572	3.2
121.10155	5.7
123.08099	1.5
123.11711	2.7
125.09665	1.5
131.08586	4.9
133.10124	5.1
135.08076	1.4
135.11713	4.0
137.13258	2.2
147.11708	2.1
149.13289	4.3
151.11209	3.3
157.10156	1.3
159.11736	4.4
161.13278	1.4
163.11252	1.8
171.11685	1.3
177.12700	2.3
179.14426	1.6
195.13782	2.7
227.12785	3.3
229.14264	1.2
233.15498	1.3
239.23792	2.7
251.16422	1.8
259.20587	2.8
269.17462	8.5
277.21545	8.2
295.13998	1.2
311.33920	1.1
313.27390	33.6
314.96631	1.2
351.25281	11.8
467.37122	6.6
473.51532	1.2
507.40500	100.0
589.48346	7.2
673.41479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39644	0.5
62.85437	0.5
65.03952	0.9
69.07091	0.7
69.39419	0.5
69.91918	2.2
70.57967	0.6
71.05016	0.7
79.05506	0.7
81.07095	1.9
82.49133	0.7
91.05526	1.9
93.07069	1.1
93.16389	0.6
95.08641	1.0
97.02930	2.1
98.21398	1.1
103.05491	0.8
105.07043	1.2
115.05457	9.6
115.06129	0.7
117.05733	0.7
117.07058	1.5
118.06555	12.8
118.07326	0.8
119.08595	0.9
121.06490	4.6
130.06526	4.1
130.53069	0.6
131.04958	0.7
134.06096	0.9
137.06017	0.9
142.06526	13.9
142.56673	0.6
143.07301	3.1
144.08078	10.8
144.09027	0.8
145.02837	0.8
146.06021	35.6
147.04459	0.7
152.07079	0.6
163.03986	2.1
164.07100	2.1
166.05072	1.2
166.06393	0.8
167.07213	1.1
169.07697	1.0
170.06087	2.7
177.05542	1.6
178.05051	2.4
180.06604	2.4
181.04982	0.9
182.05797	8.5
188.03496	1.3
188.07072	22.8
190.05005	1.3
194.08096	4.2
204.06656	1.4
210.05289	17.5
210.07169	1.2
219.09242	0.9
244.09950	0.7
245.10757	7.1
254.10231	7.5
269.12872	1.5
273.10379	3.4
276.08472	11.2
287.13971	1.4
290.10223	1.7
305.12860	47.7
307.14597	1.1
312.10736	0.9
313.11957	0.8
315.13412	1.2
325.11560	0.7
327.11142	2.1
332.11310	5.4
334.08972	2.2
337.15506	8.6
347.13715	6.5
377.14975	0.9
387.13052	3.9
398.14984	0.8
416.16403	0.9
419.15799	100.0
420.16379	0.8
437.16818	7.6
441.16663	2.0
461.16995	1.0
463.14807	20.4
485.20740	2.0
507.18866	2.6
553.23267	1.2
599.23529	5.3
611.25244	3.6
643.22430	40.4
644.22955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38598	0.8
55.01861	1.4
56.53520	0.8
57.07064	0.8
65.03936	3.6
67.05486	2.7
69.03421	1.8
69.07074	1.6
69.89362	4.8
70.06586	2.6
71.04987	1.7
78.04691	2.3
79.05494	3.8
79.20949	0.8
81.07056	2.0
82.06608	1.3
83.04958	0.8
84.08117	1.2
85.02909	2.2
86.09715	1.5
87.08071	0.9
89.03922	1.5
91.05496	6.4
93.07039	4.5
94.06593	6.0
95.04966	3.3
95.07347	3.6
95.08600	2.1
96.08138	6.8
97.02889	3.4
97.06539	0.9
98.20850	0.9
103.05453	3.6
105.03384	0.9
105.07021	3.2
106.06551	1.4
107.04961	3.8
107.08588	2.1
108.04470	3.8
108.08115	8.8
109.06514	1.3
109.10174	1.5
110.03650	1.0
110.09679	11.5
111.08031	1.1
115.05459	3.1
116.04977	1.8
117.07027	4.6
119.04951	2.0
120.04446	3.2
120.08109	7.0
120.34880	1.0
121.06493	3.0
121.10168	0.9
122.06040	3.7
122.06942	0.9
123.04431	3.6
123.08067	0.9
123.43905	0.9
124.05198	2.0
124.07590	7.0
128.38298	0.9
131.04933	4.1
132.04474	1.2
133.06487	1.9
133.10085	0.9
134.06068	2.1
135.08041	3.1
136.07597	8.9
137.06001	6.2
137.09528	1.1
138.05400	1.1
138.09171	12.0
143.04973	1.0
144.04469	4.3
145.02867	1.9
145.06497	4.2
145.10152	1.1
146.06024	6.1
147.04340	2.4
147.08102	1.3
147.11607	0.9
148.05182	2.0
148.07559	3.4
149.05965	2.2
150.05518	1.2
150.81033	0.8
151.03937	1.1
152.04634	1.7
152.07068	2.0
153.05415	1.3
155.06007	2.1
160.03938	3.5
162.05528	4.7
163.03922	2.7
163.07550	3.5
164.04366	1.1
164.07051	3.8
165.05386	1.3
165.09082	1.1
166.08647	14.5
167.07056	61.7
172.03961	18.6
173.05977	11.1
174.05534	1.7
175.07587	2.1
176.07063	3.6
177.05466	3.5
179.06984	1.1
180.06578	1.5
181.04979	29.3
181.08572	1.8
184.09970	0.9
187.07483	1.2
190.04984	17.7
190.06512	1.4
191.07053	11.4
195.06551	2.1
197.10707	2.3
198.11308	2.4
199.12318	2.0
202.50441	0.9
204.06586	38.6
205.08601	2.7
207.06364	1.3
209.08162	1.5
209.10674	1.2
210.09250	1.9
211.08681	3.4
212.09288	2.3
213.10222	1.2
221.10802	1.0
225.07893	1.8
225.10214	8.6
226.10847	1.1
227.11795	17.2
233.08003	4.5
235.09529	2.9
236.09338	1.7
237.10228	3.4
238.11050	1.9
239.11740	3.0
241.09738	2.0
241.13438	1.3
249.10394	2.1
250.11066	1.0
251.08069	1.1
251.11864	2.6
253.09778	4.9
255.11349	2.4
258.05283	3.2
262.10922	1.2
263.08728	1.5
263.11810	1.8
264.08926	3.6
265.09781	2.4
267.11380	2.0
269.12869	19.1
271.06271	1.0
271.10895	9.6
273.12521	5.7
277.09662	2.1
279.11276	4.2
283.10806	6.0
284.11603	4.2
285.12350	7.1
286.04700	8.9
287.13895	17.3
291.11526	1.2
295.10757	2.4
297.12448	9.2
299.14117	4.7
300.11624	1.2
301.07068	28.3
307.10666	1.5
312.15054	1.4
313.12701	2.2
314.12915	3.3
315.13782	1.6
321.12415	1.6
323.10245	7.2
325.11841	27.8
326.16632	1.1
327.13708	4.4
328.10818	3.8
328.14432	2.3
329.15308	1.5
330.15933	2.9
331.17126	1.3
340.14667	1.7
341.11572	2.8
342.12415	6.6
342.15961	1.7
343.13077	7.1
344.13864	1.4
344.17853	1.0
354.16150	1.0
355.13055	1.6
356.14093	7.0
357.14502	9.3
358.15494	3.8
365.11292	1.3
367.13254	2.9
369.15536	1.2
370.15561	5.1
371.16318	1.0
372.17068	1.4
377.20453	1.3
381.13907	1.3
382.11887	4.6
383.12506	1.5
384.13300	3.8
385.13458	3.4
386.14594	1.4
386.18777	2.1
387.14639	5.5
388.16650	1.8
390.18161	3.7
394.15518	2.1
395.14023	1.4
397.15305	1.5
398.15012	17.6
399.15805	26.4
400.16599	3.6
404.16031	6.5
412.16745	1.5
414.18158	4.8
415.14551	1.2
416.16043	17.9
417.15451	36.0
422.16483	1.4
428.15927	2.7
430.17569	2.8
440.16202	6.6
441.14621	2.9
446.17154	18.8
447.17386	4.1
448.19055	1.3
458.17154	43.4
463.21384	1.3
464.20163	1.2
478.19608	2.0
490.19846	8.0
520.20801	2.4
522.21918	1.2
565.24744	2.1
567.25769	2.8
569.24042	8.3
583.24945	3.1
593.24084	10.1
594.22821	1.3
611.25055	100.0
612.24579	2.5
626.25256	4.3
643.27063	5.5
644.30658	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05093	0.5
53.03949	0.7
55.01870	0.7
65.03940	1.5
67.05483	0.5
67.58829	0.6
73.99438	0.7
79.05490	1.5
80.05008	0.8
82.06600	0.5
83.99279	0.5
91.05499	1.6
93.05783	0.8
93.07056	3.0
94.06580	3.6
95.04934	0.8
95.07358	2.3
96.08138	5.8
97.06566	0.7
103.05463	1.8
106.06573	1.4
108.04489	2.1
108.08113	9.1
110.09690	9.0
116.04970	2.3
118.06506	0.6
120.04452	3.9
120.08111	7.9
121.06500	7.0
122.06020	3.6
122.06833	1.3
124.07596	6.6
132.04460	0.6
134.06018	3.0
136.07578	8.4
138.09140	10.0
144.04453	5.4
144.08012	0.7
146.06003	6.7
148.07610	3.4
152.07089	2.5
160.03955	3.7
162.05524	4.2
164.07132	1.2
166.08646	10.5
171.38480	0.6
172.03929	23.9
172.07645	1.0
174.05528	1.8
176.07109	2.4
177.21016	0.5
178.05016	0.7
182.09685	1.6
184.07649	0.7
184.09961	0.9
186.09218	1.1
190.04994	17.7
196.10005	0.7
197.10782	2.6
199.08672	0.9
199.12320	1.8
204.06563	37.5
209.10744	1.9
210.09288	1.6
210.11456	0.7
211.08664	3.4
212.09479	1.7
213.10249	1.3
223.08710	0.9
224.09500	2.0
225.10225	9.7
226.10974	1.0
227.11775	15.6
236.09494	1.3
237.10205	2.9
238.11031	1.4
239.11795	4.2
241.09639	0.9
241.13394	0.8
243.11237	0.7
249.10262	1.8
251.08043	0.9
251.11855	2.5
252.08914	1.1
253.09723	5.8
254.10538	1.0
255.11360	1.9
261.10382	0.6
263.08188	1.6
263.11630	0.6
264.09036	3.3
265.09735	2.4
267.11270	2.8
269.12860	15.7
271.10757	9.8
273.12341	4.7
277.09851	1.8
278.10397	0.6
279.11279	3.4
281.09534	1.3
281.12744	1.0
282.10114	0.6
283.10788	5.2
284.11530	4.4
285.12283	5.5
286.13330	0.8
287.13934	16.0
293.09482	0.9
295.10794	1.2
297.12433	8.4
298.10699	0.7
299.13980	4.7
300.11847	1.1
305.09268	1.0
307.10846	1.3
311.10529	0.8
312.15198	1.9
313.12274	2.0
314.13037	2.2
315.13782	1.4
316.11154	0.9
316.14575	1.9
321.12421	0.8
323.10178	8.2
325.11835	23.6
326.16699	1.1
327.13852	3.0
327.17188	1.1
328.10956	3.2
328.14529	2.3
329.11755	1.2
330.12421	1.2
330.16193	2.1
331.16736	1.7
340.14658	1.0
341.11716	1.9
342.12454	8.0
342.16095	1.3
343.12973	6.1
343.16708	0.8
344.14017	1.4
344.17862	1.0
352.14606	1.2
353.12814	0.8
354.16165	0.9
355.13184	1.3
355.17050	0.9
356.13956	5.5
357.14566	9.6
358.15488	4.3
365.11230	1.3
370.11624	0.9
370.15918	4.6
372.17169	1.5
374.19012	1.0
376.16711	0.8
378.18130	2.1
380.14038	1.0
382.11774	3.9
383.12695	2.5
384.13144	5.0
384.17508	0.6
385.14096	2.8
386.14923	2.5
386.18881	2.5
388.16663	0.8
390.18341	2.8
394.15384	0.8
397.14972	0.8
398.15042	18.5
399.15793	25.9
400.16510	1.6
402.18414	0.8
404.16132	7.0
412.16650	1.4
414.18164	4.1
416.16028	19.5
422.15863	1.0
428.15973	2.3
430.17767	2.2
440.15982	5.5
446.17114	13.6
448.18555	0.8
458.17102	33.2
460.18726	0.9
478.19675	1.9
490.19754	8.1
565.24310	1.9
567.25946	2.5
569.24121	5.8
583.25647	2.9
593.24115	6.6
611.25018	100.0
612.25293	1.9
643.27667	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	643.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
54.38083	0.6
55.01869	0.8
56.10942	0.6
62.65100	0.6
65.03939	2.0
65.57493	0.6
67.05511	1.2
71.09690	0.9
79.05497	1.6
81.05811	0.6
81.07061	2.0
82.06558	1.1
85.02909	1.0
89.03915	1.0
91.05474	2.2
92.05006	0.8
93.05830	0.8
93.07048	3.0
94.06564	5.5
95.04984	1.3
95.07338	2.4
95.08586	1.2
96.08128	6.4
97.02863	1.7
103.05423	1.6
106.06555	1.4
107.04986	0.7
108.04478	2.5
108.08119	9.8
109.10155	1.0
110.09679	10.2
114.92628	0.6
116.04990	2.4
117.07034	1.7
118.06582	1.5
120.04475	3.9
120.08096	8.1
121.06513	1.8
122.06047	4.2
123.04444	1.7
123.06833	0.7
124.07617	8.0
129.38992	0.7
129.57562	0.6
132.04443	0.6
134.06044	2.9
136.07579	7.1
137.05966	1.2
138.09138	13.1
144.04454	5.1
145.02858	1.9
145.06497	1.6
146.05995	5.9
148.07600	3.3
152.07050	1.5
155.06062	0.9
160.03886	3.1
161.09746	0.8
162.05487	5.0
163.03905	0.9
164.07097	2.5
166.08646	11.8
167.07051	22.5
172.03944	22.4
172.07616	1.0
173.05931	3.1
174.05516	1.5
176.07068	2.3
177.05467	4.9
180.06564	1.0
181.04938	6.8
182.09752	0.8
184.09918	1.0
185.07196	0.8
190.04987	16.3
191.07069	1.8
196.07600	0.6
197.10770	2.6
199.12408	2.0
204.06567	35.3
205.08592	1.1
209.10783	1.3
210.09238	1.6
210.11621	0.7
211.08755	2.8
212.09506	2.4
213.10330	1.5
214.10994	1.1
223.08749	1.4
223.12402	0.8
224.09454	1.9
225.10242	10.2
226.10997	2.0
227.11795	14.0
229.13461	0.9
233.08220	1.2
235.09096	1.2
236.09554	1.9
237.10223	4.8
238.11058	1.8
239.11786	5.0
241.09746	1.4
241.13359	1.0
243.11417	0.9
245.12947	1.1
248.09583	0.9
249.10309	2.2
250.11011	1.2
251.08575	0.8
251.11830	3.7
253.09659	6.9
253.13699	0.8
255.11264	1.9
263.08636	0.8
263.11914	1.1
264.09052	3.3
265.09671	3.2
266.10736	0.9
267.11172	3.6
269.09821	1.2
269.12857	19.8
271.10724	7.8
273.12457	5.3
277.09805	2.4
278.10550	1.0
279.08530	1.0
279.11243	4.8
281.09354	1.0
281.12854	0.7
283.10754	5.5
284.11591	4.4
285.12292	5.6
286.13232	1.6
287.13885	19.2
289.09711	0.7
291.11063	0.8
293.12979	0.7
294.09937	1.5
295.10812	1.6
297.12381	7.5
298.10941	1.3
299.14014	4.6
301.12601	0.7
305.09024	0.7
307.10840	1.0
309.12366	1.2
313.12451	2.4
314.13046	2.2
315.13699	1.2
316.14304	1.4
321.12442	1.0
323.10284	7.6
325.11819	25.6
326.12784	1.1
326.16434	1.1
327.13602	4.5
327.17136	1.0
328.10760	3.2
328.14474	3.5
329.11511	1.2
329.15155	1.2
330.12607	1.2
330.16153	2.7
331.16833	1.7
335.10303	1.5
337.12488	0.7
339.13620	7.3
340.14661	1.1
341.11609	1.4
342.12427	7.5
342.16113	1.4
343.13004	6.5
344.13864	1.3
344.17682	1.1
353.12750	1.1
354.12448	1.8
354.16187	1.6
355.13419	2.5
356.13889	5.5
356.17590	0.8
357.14603	8.8
358.15485	4.3
365.11447	1.8
366.15997	1.1
367.13028	5.2
368.13937	1.1
370.11673	0.9
370.15710	4.4
371.16302	0.8
378.18185	1.3
380.13983	0.9
382.11642	3.6
383.12845	1.8
384.13098	4.5
384.17584	0.8
385.14117	2.2
386.14847	1.8
386.18787	2.7
387.14594	2.7
388.16397	1.9
390.18100	3.4
394.15671	1.3
396.17139	0.9
397.14642	0.9
398.14996	19.5
399.15814	23.8
400.16611	2.4
402.18155	1.0
404.15857	4.9
412.16629	2.9
414.18225	3.8
416.16016	18.2
417.15485	11.0
422.16736	1.5
428.16110	2.5
430.17685	3.3
440.16083	6.8
446.17142	16.7
447.17474	2.1
448.18481	0.9
458.17120	36.6
460.18845	1.8
463.16904	1.5
478.19696	2.3
488.18201	1.4
490.19608	8.2
490.26083	0.9
520.20801	14.3
521.21497	1.4
541.24652	0.9
565.24585	2.4
567.26154	2.6
569.23853	8.1
583.25641	3.4
593.23871	9.5
611.25012	100.0
612.25214	2.6
643.27466	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.5
67.05501	1.1
69.07043	0.7
69.49303	3.9
79.05474	1.4
80.05028	0.7
81.07040	1.3
82.06567	0.8
83.80698	0.5
89.03923	1.4
91.05473	2.1
91.29986	0.5
93.07030	2.6
94.06572	3.7
95.07316	1.8
96.08144	5.4
97.02872	0.6
101.21758	0.6
105.07004	0.5
106.06499	0.9
107.08562	1.1
108.04476	2.2
108.08120	8.0
110.06079	0.6
110.09694	6.3
116.04979	3.9
118.06511	1.1
120.04485	4.0
120.08098	6.3
121.06512	0.7
122.06055	4.8
124.07581	3.2
134.05998	3.2
136.07573	6.9
137.05972	1.6
138.05472	0.6
138.09146	8.1
144.04446	11.2
144.05473	1.2
146.06012	4.9
148.07550	2.8
152.07143	1.2
158.09666	0.8
160.03938	2.2
162.05492	4.9
164.07069	1.4
165.09108	0.6
166.08659	11.4
167.07190	1.1
170.09668	0.8
172.03944	48.7
174.05545	1.4
176.07022	3.2
178.04973	0.9
182.09676	1.2
183.09181	0.9
184.09999	1.0
185.10817	0.7
190.05013	9.0
196.09917	0.6
197.10753	1.6
199.08624	0.9
199.12328	2.1
204.06572	100.0
205.06938	0.7
209.10762	1.2
210.09328	1.0
210.11203	0.5
211.08714	3.4
212.09451	2.5
213.10178	1.2
223.08650	0.9
224.09303	1.3
225.10197	8.7
226.11011	1.2
227.11775	12.7
227.13939	0.9
235.08553	0.7
236.09438	1.9
237.10298	3.0
238.11011	1.3
239.11790	3.3
241.09758	1.6
241.13475	1.3
249.10269	1.6
251.08160	0.7
251.11845	3.0
252.08847	0.7
253.09752	4.8
253.12109	0.7
253.13336	0.7
255.11365	0.9
259.14487	0.7
263.08133	1.0
264.09042	2.3
265.09698	1.9
267.11295	2.0
269.12854	9.2
271.10818	8.5
273.12396	4.8
275.11157	0.6
277.09851	2.1
279.11288	3.4
281.09186	0.6
281.12946	0.8
283.10770	5.4
284.11584	3.6
285.12405	4.5
286.13193	1.5
287.05194	0.6
287.13907	19.8
293.09253	0.9
295.10873	1.1
297.12344	6.0
299.14050	4.3
301.12866	0.9
307.10837	1.4
312.15134	1.1
313.12213	1.7
314.13025	2.6
315.13879	1.1
316.10876	1.3
316.14569	1.7
319.11005	0.8
321.08759	0.8
321.12527	1.1
323.10315	5.9
325.11853	9.9
326.16562	1.6
327.13507	2.9
327.17044	1.4
328.10898	2.3
328.14639	2.1
329.15192	2.2
330.12424	0.8
330.16043	1.8
331.13446	0.7
331.16913	1.6
339.13608	1.8
340.14548	0.9
341.11777	1.9
342.12454	6.3
342.15897	1.1
343.13202	4.1
344.13861	1.4
352.14517	1.3
354.12335	1.2
354.16309	1.6
355.13171	2.1
355.17081	0.8
356.13937	5.7
357.14465	27.4
358.15414	4.3
367.13333	0.8
369.15256	0.8
370.11676	0.9
370.15610	4.7
371.16479	1.2
372.17020	0.7
378.18323	1.0
380.13882	0.8
382.11780	3.4
383.12863	2.8
384.13422	4.0
384.17624	1.1
385.14160	1.8
386.14886	2.2
386.18954	1.8
388.16644	1.1
390.18124	2.3
397.15118	0.9
398.15021	16.0
399.15778	22.8
400.16913	1.3
402.18484	0.8
404.16046	4.8
412.16766	1.5
414.18332	3.9
416.16034	15.7
417.16119	1.3
422.16998	1.6
428.16101	1.5
430.17651	2.6
440.15988	5.1
442.58826	0.7
446.17099	10.6
458.17108	28.0
460.18716	1.1
478.19894	2.1
490.19736	10.4
541.24695	0.8
565.24524	1.4
567.26001	2.5
569.24280	4.2
583.25623	2.6
593.24078	6.8
611.25031	89.4
612.25403	1.3
643.27295	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	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
65.03945	0.9
67.05502	1.2
70.06583	1.0
71.25110	1.5
79.05492	2.3
80.05013	1.0
81.05788	1.1
81.07085	0.8
82.06601	1.0
86.09721	1.4
89.03941	1.1
91.05499	2.7
92.96158	0.7
93.05836	1.0
93.07029	3.2
94.06567	5.1
95.04963	0.9
95.07354	2.4
95.08609	1.2
96.08124	6.6
97.02886	0.9
103.05463	1.1
106.06564	1.5
107.24483	0.7
108.04494	3.2
108.08127	8.7
109.10176	1.1
110.09682	8.8
116.04992	2.8
118.06563	0.8
120.04464	3.5
120.08108	7.5
121.06496	1.7
122.06010	5.3
124.07576	6.3
134.06049	2.7
136.07582	8.7
137.05943	1.4
138.09137	11.8
144.04414	5.4
146.06018	4.1
147.04501	0.8
148.07571	3.7
152.07104	2.2
160.03981	3.4
162.05521	3.9
163.03934	2.0
163.07562	1.2
164.07108	3.6
166.08659	11.9
167.07065	5.0
172.03938	20.3
172.07597	1.2
174.05536	1.9
176.07069	3.6
177.05635	0.8
180.06612	1.5
181.04942	3.5
182.09697	1.2
184.09959	1.0
190.05011	17.1
191.07158	1.4
197.10750	1.5
197.81738	0.7
198.11583	1.0
199.08817	1.1
199.12325	2.8
204.06564	37.6
209.10794	1.6
211.08595	4.2
211.12257	0.8
212.09479	2.2
213.10263	1.0
222.07837	0.8
223.08641	1.1
224.09435	1.3
225.10266	8.4
225.20068	0.8
226.11069	1.2
227.11794	14.3
235.08601	1.3
236.09393	2.0
237.10321	5.5
238.11073	2.7
239.08226	0.9
239.11836	3.1
241.09810	2.2
241.13441	1.3
247.08804	0.7
248.09540	1.5
249.10225	4.6
250.11124	2.8
251.08174	1.1
251.11816	4.6
252.08936	1.0
253.09708	5.7
255.11212	1.6
262.11041	1.1
263.09146	1.0
263.11780	6.5
264.08939	3.6
265.09692	3.4
265.13589	0.7
266.10471	0.8
267.11310	2.2
269.12872	15.9
269.15546	1.3
271.10818	7.8
273.12390	4.5
277.09744	2.5
279.11334	8.3
281.09161	1.3
281.12976	1.0
282.10019	1.3
283.10690	5.5
284.11530	3.8
285.12509	4.3
287.05548	1.4
287.13925	16.8
289.09918	0.9
291.11359	2.8
293.09363	0.9
293.12665	0.9
294.10217	1.2
295.10910	2.1
297.12427	9.3
299.14047	6.2
302.12930	0.9
307.10809	3.6
309.12338	1.7
312.11935	1.0
312.15268	0.9
314.13010	1.7
315.13721	1.7
316.14450	1.8
319.10590	1.1
321.08978	1.0
321.12436	0.8
323.10269	7.5
325.11856	22.1
326.12994	1.2
326.16666	1.1
327.13605	4.3
328.10794	2.8
328.14539	2.7
329.11649	1.0
329.15262	0.9
330.16107	1.9
331.17010	1.4
335.10361	1.4
337.11853	3.8
338.12973	0.9
339.13968	1.1
340.14767	1.3
341.11768	1.0
342.12335	7.7
342.15872	1.1
343.13107	5.2
344.13922	1.2
354.12408	1.1
354.16348	1.7
355.12949	4.3
356.13928	4.8
357.14471	15.0
358.15472	4.0
365.11505	1.5
367.12976	4.0
369.14822	1.5
370.12491	0.7
370.15692	6.3
371.16522	1.0
372.16913	1.2
377.20978	1.9
378.18085	1.8
380.13812	0.8
382.11749	3.8
383.12695	2.0
384.13098	3.8
384.17673	1.1
385.14246	1.5
386.14911	2.0
386.18799	2.6
390.18167	2.1
394.15811	1.2
397.15225	1.1
398.14987	17.8
399.15784	24.6
400.16641	1.9
402.18225	1.2
403.18719	1.1
404.16125	5.9
412.16827	2.0
414.18048	4.3
416.16019	17.0
417.16095	2.0
422.17065	0.8
428.16052	1.7
430.17758	2.1
431.18362	1.0
440.15976	5.0
446.17148	14.2
447.17621	2.6
448.18835	1.5
458.17111	35.0
460.18500	1.4
460.37970	0.8
463.21259	0.9
478.19727	2.2
490.19730	9.9
520.20789	15.5
521.21350	2.2
522.22357	12.7
565.24420	2.2
567.26190	2.4
569.23895	5.8
583.25592	3.2
593.23987	8.5
611.25031	100.0
612.25568	1.6
643.26959	7.2
655.05121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69061	0.5
64.92203	0.5
65.03931	0.8
70.06598	1.6
71.24328	0.9
73.13401	0.5
81.07040	1.1
91.05482	12.9
97.02885	2.3
100.22824	0.6
109.06556	0.9
112.07578	0.8
116.07166	0.5
119.04959	8.1
121.02859	0.7
121.06538	0.5
131.04921	0.7
137.05984	100.0
138.06319	0.9
138.86557	0.5
140.54146	0.5
149.02327	2.1
153.05466	0.6
154.97121	0.5
161.55890	0.6
163.03931	2.2
165.05482	8.2
167.03427	1.1
167.07097	0.6
179.07088	2.3
181.04964	3.9
185.19012	0.6
191.03392	2.0
209.04477	1.3
223.06052	6.6
241.07158	0.6
265.07114	2.3
272.40933	0.5
277.07138	1.0
283.08170	0.9
343.50504	0.5
345.09772	2.7
373.09283	0.9
373.15335	0.6
387.10876	0.7
408.71606	0.6
419.13571	2.4
448.17154	1.1
633.01733	0.6
644.24994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
67.05502	3.0
69.46622	11.9
71.05000	2.1
74.00657	1.9
79.05482	6.3
79.57825	1.5
80.04979	1.6
81.07034	1.5
82.06566	2.3
85.02905	4.8
89.03910	1.6
91.05498	6.5
93.05775	1.7
93.07054	8.8
94.06577	7.3
95.04982	1.7
95.07349	2.5
95.08572	2.5
96.08133	11.6
103.05507	2.2
105.07005	3.0
106.06573	4.5
107.07360	1.8
108.08129	17.5
110.09693	19.1
111.02679	1.7
116.01717	1.7
116.05018	1.7
118.06570	1.7
120.04496	3.1
120.08102	14.6
121.06496	12.0
122.06033	9.0
122.06771	1.7
124.07610	11.2
131.08546	1.7
132.08022	1.8
133.45216	1.5
134.06006	4.8
136.07581	33.1
138.09143	27.9
144.04446	3.5
146.06003	10.1
148.07584	16.6
150.09177	3.4
152.07066	20.8
160.03903	2.5
160.07570	1.6
162.05513	4.2
163.03905	9.1
164.07083	8.1
166.08649	42.3
172.03926	16.3
174.09180	2.7
176.07085	4.0
182.08064	1.7
190.05000	15.2
197.10883	2.6
198.11516	4.9
199.12416	1.6
204.06567	24.1
209.10754	2.9
210.11549	6.8
211.12257	9.8
212.09343	2.1
212.13159	4.5
218.08136	3.1
223.12289	8.6
225.10339	8.4
225.13918	3.2
226.10983	8.5
227.11829	6.7
229.13420	2.2
235.12502	1.6
236.09508	2.4
237.10207	11.6
238.10979	11.5
239.11807	10.5
241.13510	2.5
248.09251	1.8
249.10222	10.1
250.11031	4.5
251.08098	1.6
251.11801	18.0
252.08983	2.9
252.12596	3.1
253.09958	2.6
253.13354	7.9
255.11250	5.2
256.12079	6.3
262.11087	5.2
263.08694	2.1
263.11819	18.8
264.08984	4.9
264.12527	3.8
265.09778	8.5
265.13309	7.3
266.10510	6.4
267.11304	27.0
268.12112	2.0
269.12964	7.4
271.11121	2.2
271.14441	9.6
273.12338	4.7
277.09775	3.7
278.10599	4.2
279.11282	33.8
280.12061	8.0
281.12851	13.0
282.09912	1.8
283.10849	6.7
284.11505	15.8
285.12354	44.8
287.14038	2.6
289.15454	2.6
291.11295	12.4
292.12064	2.2
293.09625	3.1
293.12756	15.3
294.13553	1.5
295.11014	3.7
295.14423	3.3
296.11606	7.8
297.12344	65.6
298.13080	3.7
299.13940	8.0
307.10730	2.7
309.12305	24.2
310.13058	5.7
311.10217	8.3
311.13559	2.4
312.10986	1.9
313.11957	4.1
319.10742	9.6
321.12326	23.8
323.10291	13.3
324.10812	2.2
325.11893	25.8
327.13477	15.0
337.11850	52.7
339.13422	5.1
341.11111	2.1
344.13855	2.0
355.13000	2.4
357.14365	7.8
359.15927	3.8
367.12997	1.9
369.14581	3.5
371.15997	2.6
372.17105	2.1
373.13870	3.1
385.14081	3.5
390.18066	2.8
392.19666	4.2
400.16293	2.1
401.16833	2.2
402.17905	3.7
404.19650	4.9
406.17480	2.0
412.16595	4.0
414.18106	1.7
416.19843	3.1
418.17538	3.1
420.18927	2.2
421.19839	2.4
422.20755	4.2
430.17612	12.4
432.19196	11.2
436.18475	3.5
442.17715	2.0
444.19208	2.5
446.20779	6.2
448.18668	39.7
449.19467	33.5
450.20218	25.4
458.17090	2.1
460.18646	28.9
462.20212	4.4
472.18893	2.7
474.20569	7.3
476.17987	15.1
477.19064	12.0
478.19730	14.8
480.21402	3.2
487.17743	1.7
490.19727	57.9
491.20322	10.3
492.21359	22.0
493.21835	3.0
522.22375	22.0
523.23077	11.4
524.23285	3.5
567.26538	1.6
595.25519	16.1
613.26532	100.0
627.25281	2.8
645.27979	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90856	1.0
67.05484	1.2
79.05486	3.0
79.76518	0.8
81.07050	1.1
87.56741	0.9
89.03874	0.9
91.05469	3.0
93.07059	5.2
94.06553	4.1
95.07352	3.1
96.04472	1.2
96.08141	9.8
96.87250	0.8
97.02856	1.0
106.06566	1.9
107.08601	1.0
108.08099	9.8
110.08988	1.7
110.09682	16.7
116.04980	2.5
118.06563	1.5
120.04472	2.3
120.08122	10.9
121.06492	2.2
122.06030	4.7
124.07612	5.5
132.08058	1.0
134.05989	2.0
136.06647	1.2
136.07590	15.1
138.09142	17.2
144.04443	4.4
146.06009	3.5
146.09630	1.3
148.07607	6.4
150.09166	11.3
152.07079	10.9
154.04924	1.5
160.07550	1.3
162.05589	2.1
162.09131	2.1
163.03854	1.1
164.07065	10.5
166.07217	1.2
166.08646	26.6
172.03940	37.4
174.05524	1.9
174.09251	0.9
176.07114	2.0
182.08150	6.0
182.45512	0.9
190.05045	5.6
192.10220	2.6
197.10754	1.8
198.11508	3.3
204.06560	94.3
206.08122	1.2
208.10004	0.9
209.10762	1.3
210.11536	2.2
211.12244	3.7
212.12964	1.3
218.08043	1.1
222.11604	1.0
223.12285	2.8
225.10245	3.9
225.13799	1.3
226.10951	2.0
227.11784	2.8
229.10728	1.1
235.12366	1.5
236.09459	2.2
237.10173	6.6
237.13936	1.9
238.11024	4.0
239.11800	5.1
248.09489	1.8
249.10258	7.6
250.11057	4.3
250.97514	0.9
251.08078	1.2
251.11823	10.1
252.08974	1.5
252.12555	3.6
253.09862	1.9
253.13350	3.3
255.11325	1.4
256.12152	2.2
263.11807	18.4
264.12561	3.7
265.09787	5.6
265.13361	8.5
266.10492	3.6
267.11288	10.0
268.11996	1.6
269.12875	2.5
271.10968	0.8
271.14447	2.3
273.12265	2.9
275.11844	1.1
277.09695	2.5
278.10550	1.9
279.11276	23.7
280.12131	2.0
281.12836	8.0
282.10052	2.0
283.10745	3.5
283.14365	1.1
284.11548	3.4
285.12344	17.3
287.13947	2.4
289.15488	3.3
291.11264	12.4
292.12067	3.0
293.09500	1.9
293.12750	10.7
295.10791	3.4
296.11658	2.2
297.12335	28.7
298.12924	1.7
299.13937	2.9
307.10907	1.4
309.12329	20.8
310.13049	2.7
311.10422	1.8
311.13870	3.2
313.11682	1.4
319.10788	9.9
321.12180	4.6
323.10312	4.7
325.11942	12.0
326.12674	1.0
327.13419	4.3
337.11838	37.1
338.12274	2.2
339.13364	2.9
341.11389	2.2
343.13190	1.2
346.19290	1.1
348.20483	1.3
351.13458	1.1
355.12845	8.9
357.14484	14.5
359.16147	2.3
369.14532	11.0
373.13989	17.1
390.17801	1.2
392.19653	1.4
400.16431	1.8
402.18338	2.1
404.19937	1.7
418.17548	1.7
422.20590	2.0
430.17542	4.2
432.19165	2.9
434.20792	1.2
444.19440	1.4
446.20532	2.7
448.18567	12.5
449.19357	8.6
450.20215	9.1
460.18716	11.3
462.20032	3.9
463.21399	1.1
472.18613	1.5
474.20395	1.9
476.18219	3.3
477.18759	5.4
478.19659	3.5
480.21191	3.0
490.19763	23.3
491.20297	3.1
492.21320	13.0
493.21729	1.7
522.22369	100.0
523.22949	6.4
585.26630	1.4
595.25201	4.5
613.26550	42.4
645.28375	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	645.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71933	0.8
53.03943	1.1
69.54678	5.0
69.55078	1.6
76.05036	1.0
79.05491	2.6
80.05022	1.4
81.03399	1.0
81.07035	1.1
82.06557	1.2
83.03257	0.8
84.04526	0.9
91.05476	2.1
93.05824	1.1
93.07040	5.5
94.06578	6.5
95.05000	1.6
95.07343	4.9
96.08137	13.7
97.06548	1.3
103.05481	1.4
106.06565	3.7
108.08118	13.2
109.10188	1.0
110.09675	16.0
118.06538	1.9
118.56744	1.1
120.04451	3.0
120.08116	14.3
121.06505	1.5
121.08926	1.2
122.06018	7.4
124.07579	8.6
126.70629	1.1
132.08151	1.4
134.06038	2.1
136.07582	29.1
138.09138	25.0
144.04480	4.4
146.06035	7.1
148.07571	16.2
150.09164	4.6
152.07065	15.7
152.08241	1.1
160.04033	1.3
160.07469	1.4
162.05461	2.8
164.07074	5.1
166.08646	40.9
167.07092	2.1
172.03938	22.5
174.05484	1.9
174.09145	1.8
176.07085	2.4
180.06509	4.3
190.04976	15.9
197.10767	2.2
198.11543	4.4
199.12224	1.5
204.06549	28.2
209.10770	1.5
210.11534	5.8
211.12326	8.5
212.13127	2.8
213.13794	1.3
218.08078	1.5
221.10767	1.1
223.12314	7.5
224.09421	1.9
224.13065	1.5
225.10257	9.0
225.13852	2.3
226.11005	4.3
227.11800	5.3
229.13376	2.2
229.97533	1.0
235.08670	2.2
235.12299	2.5
236.09296	2.4
236.13138	1.1
237.10228	11.4
238.10945	9.2
239.11804	11.4
240.12387	1.3
241.09726	1.1
241.13438	1.4
243.11320	1.2
246.07674	2.2
248.09464	2.2
249.10242	8.1
250.11046	6.1
251.08022	1.9
251.09088	1.3
251.11819	16.7
252.09006	2.1
252.12611	4.1
253.09798	3.1
253.13445	5.8
255.11240	4.4
256.12149	7.3
257.12848	2.2
259.14401	1.5
262.10983	3.8
263.08215	1.4
263.08774	1.7
263.11789	19.1
264.08905	3.2
264.12482	5.5
265.09970	7.6
265.13300	10.3
266.10504	6.6
267.11288	22.9
268.11911	2.2
269.12946	8.1
271.11032	2.3
271.14429	10.4
273.12323	5.7
275.12024	1.7
276.08572	1.2
277.09753	3.8
277.12918	1.4
278.10468	5.2
279.11267	32.7
280.12137	3.4
281.09592	1.6
281.12836	11.8
282.09946	1.9
283.10794	8.1
283.13870	1.4
284.11517	11.0
285.12335	41.2
287.13931	3.4
289.15411	2.9
291.11313	16.4
292.12009	4.8
293.09244	2.3
293.12766	14.1
295.10815	3.1
296.11551	6.8
297.12335	55.9
298.13120	2.6
299.13840	6.8
307.10849	2.4
309.12317	22.1
310.13095	5.3
311.10257	4.7
311.13831	2.9
312.11084	1.8
313.11853	3.6
315.13373	1.4
316.14502	2.1
319.10681	10.0
321.12314	16.1
323.10367	14.0
323.13879	1.7
325.11841	26.5
326.12469	1.1
327.13458	8.8
332.17853	1.1
337.11816	58.8
338.12497	2.5
339.13449	4.8
341.11285	1.9
343.12860	2.2
346.19061	2.3
348.20673	1.8
355.13000	1.8
357.14490	9.3
359.16052	3.6
360.16965	1.6
362.18759	1.6
367.13049	1.4
369.14420	3.8
370.15472	1.5
371.16064	1.4
372.17062	1.6
373.13843	1.2
374.18857	2.1
376.20609	1.4
384.17075	1.6
385.14151	2.3
390.18289	2.1
392.19577	3.8
399.15167	1.2
400.16647	2.1
401.17297	1.4
402.18192	3.5
404.19745	3.8
412.16666	1.5
416.19766	1.9
418.17218	1.8
420.18741	1.9
421.19827	1.1
422.20691	2.9
430.17612	11.2
432.19360	8.0
433.20172	1.3
436.18680	2.8
442.17603	2.6
444.19263	3.2
446.20673	5.2
448.18698	38.6
449.19412	26.8
450.20224	25.6
460.18704	27.6
461.19122	1.2
462.20038	6.5
465.18713	4.2
472.18661	3.4
473.19235	1.3
474.20169	8.0
476.18280	12.2
477.18924	11.0
478.19656	9.5
480.21082	4.4
490.19757	71.7
491.20618	8.9
492.21347	15.2
493.22144	2.2
522.22400	22.7
523.23077	8.8
524.23895	1.5
567.25616	2.3
585.27289	1.2
595.25629	15.6
613.26563	100.0
614.26605	1.6
645.29279	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	645.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
55.05503	0.3
57.07070	0.5
65.03931	0.3
65.54626	0.2
67.05524	0.3
69.03417	0.4
69.07073	10.6
69.84369	0.7
69.84780	0.3
71.08646	0.6
71.93254	0.2
72.04520	0.5
74.02441	3.4
79.05499	0.3
81.07061	0.5
83.04977	0.4
84.04512	3.9
84.08144	0.3
85.02896	0.3
86.09708	39.2
86.15683	0.2
87.10054	0.2
88.03996	0.3
91.05483	2.4
92.05000	0.3
93.07045	0.4
95.04987	0.4
95.08644	0.5
97.02899	0.4
97.06531	3.3
98.20725	0.2
102.05550	0.9
105.07067	0.2
107.08582	0.3
108.08132	0.3
109.10138	0.3
112.07613	0.6
113.74263	0.2
114.09180	0.5
119.04958	1.2
120.04475	0.5
121.06535	0.9
126.09143	1.0
130.05019	1.3
130.08658	1.2
132.10213	8.3
137.05972	3.8
140.10713	5.1
140.14445	0.2
146.06068	0.2
147.04527	0.2
148.03967	0.8
148.06067	0.5
151.06303	0.9
152.07085	1.6
164.07114	1.1
166.05008	3.6
172.77011	0.2
176.07135	0.3
177.05426	0.5
178.05049	0.2
178.08618	0.7
180.06561	61.4
181.06908	0.5
182.15428	1.9
186.11272	0.3
190.05070	0.5
194.08130	0.7
204.06606	0.4
208.06036	1.6
222.07617	19.4
223.08031	0.3
228.16055	0.4
248.12965	0.2
282.09796	0.3
287.05630	0.4
294.13452	0.3
302.10422	0.3
313.11890	0.2
344.11234	0.5
361.21262	1.5
373.14102	0.3
391.22318	0.4
393.20209	0.9
403.22256	1.5
407.21780	14.1
408.22687	0.3
421.22922	0.3
423.17731	2.1
435.21417	1.6
449.22839	100.0
450.23285	1.8
465.18716	11.9
529.25464	0.4
571.26703	8.5
603.29016	0.8
613.25891	0.4
645.30499	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05486	0.3
57.07066	0.7
65.03937	0.3
66.10644	0.3
67.05508	0.6
69.03421	1.0
69.07074	12.0
69.42923	2.1
70.06579	0.5
71.08644	1.3
74.02447	8.5
81.07059	0.5
83.04979	0.7
84.04514	0.4
84.08167	0.4
85.02898	0.6
86.09712	31.3
88.03992	0.6
91.05496	2.4
92.32344	0.3
92.57506	0.3
94.06622	0.3
97.06535	3.0
98.21095	1.2
103.05476	0.3
105.07033	0.6
112.07633	1.5
116.98631	0.3
119.04942	1.0
119.08540	0.4
120.04451	0.9
120.08096	0.3
121.06506	1.2
126.09127	0.7
130.08653	4.6
132.10219	10.2
136.07613	0.3
137.05978	4.1
141.22159	0.3
144.26465	0.3
146.05992	0.6
148.03949	1.5
151.06303	0.9
152.07069	1.9
164.07068	1.4
164.90897	0.3
166.05023	4.5
167.07060	1.7
178.08684	0.4
180.06569	67.2
181.06911	0.7
182.15440	1.9
187.10883	0.3
190.05026	1.2
194.08115	0.5
208.06093	2.2
222.07632	23.1
228.16029	0.5
302.10394	0.8
315.10876	0.3
344.11270	0.7
361.21494	0.5
363.92422	0.3
391.22430	0.5
393.20029	0.4
403.22247	0.8
407.21829	7.8
435.21277	1.3
449.22861	100.0
450.23434	1.4
465.19327	0.8
571.26526	8.6
572.26221	0.3
585.27997	0.5
595.25543	0.4
603.28967	0.7
645.31805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07537	0.5
55.01872	0.8
57.07069	0.7
62.85758	0.5
63.12111	0.6
63.31003	0.6
65.62153	0.6
69.07075	9.8
69.27380	0.5
71.08637	0.9
71.58567	0.8
71.58939	0.6
74.02448	3.1
79.05514	0.7
84.04509	0.8
86.09712	39.4
91.05475	3.2
93.07041	1.0
93.73904	0.5
95.08582	0.6
95.14774	0.5
97.06528	3.0
99.04496	0.7
105.07056	0.9
105.99591	0.5
116.17844	0.6
119.04987	1.1
119.08569	1.0
121.06546	0.8
122.37718	0.6
126.09117	1.0
130.08673	1.4
132.10223	8.7
137.05998	4.4
140.10718	4.7
148.03951	0.9
151.06200	0.7
152.07091	2.0
154.79210	0.5
164.07092	0.7
166.05000	3.5
180.06573	54.0
182.15446	1.9
194.08070	0.7
195.43944	0.6
208.06146	0.9
222.07645	15.9
228.15916	0.7
270.16928	0.6
302.69791	0.6
361.21387	1.4
369.79691	0.6
391.22366	0.8
396.26474	0.9
403.22412	1.4
407.21838	13.6
432.19113	0.7
435.21478	1.7
449.22870	100.0
450.23209	1.6
571.26544	10.1
585.26331	0.9
603.29053	0.8
613.17255	0.7
645.29584	1.2
645.39349	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90676	0.3
55.01863	0.9
55.05502	0.6
56.91560	0.3
57.07071	0.4
65.03931	0.6
67.05497	0.5
69.03443	0.4
69.07077	8.1
70.99253	0.4
70.99595	0.8
71.08626	0.4
71.76781	0.3
72.04506	0.4
74.02455	2.9
79.05469	0.6
81.07043	1.0
82.82993	0.3
83.04967	0.4
84.04496	0.7
85.02917	0.5
86.09710	35.6
89.48881	0.3
91.05480	3.7
93.07030	0.6
95.06201	0.4
95.08591	0.6
97.02863	0.7
97.06528	2.1
105.07059	0.5
107.08590	0.4
107.22468	0.4
109.10130	0.4
112.07619	0.8
114.09152	0.4
119.04912	1.1
119.08535	0.4
120.04463	0.6
121.06503	0.5
126.09116	0.5
130.08620	1.1
131.08549	0.5
132.10211	7.4
133.10173	0.4
135.11723	0.4
137.05988	4.1
140.10703	5.7
148.03937	1.1
151.06332	0.6
151.07649	0.4
152.07079	1.9
159.11598	0.4
164.07040	1.0
166.04974	4.3
178.08624	0.6
180.06563	53.2
182.15392	1.8
190.04887	0.6
191.82974	0.3
194.08165	0.4
204.06650	0.4
208.06064	1.3
219.01819	0.4
221.41469	0.4
222.07614	16.3
249.14886	0.5
260.24741	0.4
302.10281	1.0
361.21191	1.1
372.01883	0.4
380.28918	0.4
391.22552	0.5
393.20093	1.0
403.22269	1.5
407.21786	14.2
435.21152	1.2
449.22852	100.0
450.23093	1.3
529.25372	0.6
571.26532	8.2
603.28894	0.4
613.26465	0.5
645.30157	1.8
645.39954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
57.03437	1.1
57.07085	2.8
63.79863	0.4
67.05504	1.8
69.07075	1.2
70.13599	2.0
71.08636	2.0
74.18587	0.4
79.05499	1.1
81.07059	1.8
83.08636	0.7
85.10184	0.9
91.05502	0.6
91.15270	0.4
93.07059	0.8
93.62653	0.4
95.08614	2.2
96.13770	0.4
109.10161	0.8
117.82827	0.4
119.08634	0.8
160.12109	0.4
192.49408	0.4
313.27606	1.4
333.20370	4.8
389.22986	3.9
425.35040	0.5
645.47034	100.0
646.47205	2.7
651.66779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70379	0.4
54.97857	0.4
58.26611	0.4
64.02532	0.4
67.05487	0.4
69.07075	9.0
70.02957	2.3
70.06580	1.2
71.01369	0.4
71.58800	0.6
72.04530	0.8
72.08152	0.6
74.02448	1.3
81.07063	0.7
84.04501	1.8
84.08147	4.1
86.09716	7.5
87.05595	9.5
88.03994	3.9
91.05492	4.1
93.07056	0.6
96.04497	1.0
97.02885	2.0
97.06532	4.1
98.02478	1.8
98.03017	0.5
100.03966	0.6
107.04924	0.4
108.71712	0.4
109.02867	0.6
110.02444	0.5
110.06004	0.4
113.03487	0.8
114.09161	0.5
116.03461	4.2
118.50072	0.4
119.04942	1.0
120.04517	0.5
121.06517	1.3
123.04352	0.5
124.07573	0.8
130.05011	0.4
133.06076	4.7
137.05986	5.1
140.10692	1.5
144.10236	0.4
145.02818	0.6
146.06058	0.5
148.03912	0.8
149.06012	0.4
151.06287	0.8
151.07475	0.7
152.07080	1.7
153.05391	0.4
156.10207	1.2
163.03925	0.9
164.07098	1.0
166.05005	4.7
166.08638	1.7
167.07047	11.5
173.09071	0.5
177.05472	1.4
178.08679	0.6
180.06566	65.3
181.06787	0.4
184.09723	1.7
193.08580	0.4
194.08188	1.2
198.43042	0.4
204.06548	0.6
208.06073	1.8
211.09569	0.5
212.09163	3.5
220.06166	1.0
222.07629	18.0
223.07971	0.4
245.07877	0.4
249.08705	1.0
259.48126	0.4
291.13406	0.5
294.13202	0.5
302.10223	0.7
305.15121	2.9
319.09256	0.5
344.11261	0.7
347.15936	1.2
362.17142	1.4
391.14981	2.8
394.16064	1.2
404.18094	1.1
408.17691	13.6
433.16135	1.9
436.17105	1.4
450.18655	100.0
451.18994	1.5
572.22345	10.1
604.24408	0.7
646.17780	1.2
646.26593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	31.6
55.44125	15.3
58.37598	13.8
65.03934	16.8
67.00863	14.7
67.05509	87.3
68.06188	15.4
69.07056	40.8
71.58719	10.8
71.59482	14.6
79.05495	80.6
81.07072	100.0
85.06573	13.2
91.05489	93.4
91.70965	10.3
93.07043	99.4
95.08592	58.0
105.07034	87.8
107.08595	49.5
109.10150	34.8
117.07005	25.3
119.08627	65.4
121.10116	35.7
131.08566	23.7
133.10149	80.2
139.89146	13.3
143.71158	13.1
145.10135	28.2
147.11702	35.7
149.13202	16.6
157.10165	15.2
159.11723	24.3
161.13313	21.8
173.13319	21.2
216.35075	15.2
241.19356	16.4
259.20615	52.2
333.24265	42.7
335.25769	57.9
438.11319	13.8
611.46112	30.5
618.88104	13.6
678.33191	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	647.1951
Annotation	Pyranoamentoflavone 7,4',4'''-Trimethyl ether
Peak:m/z	Relative Intensity
62.68553	0.4
69.79865	1.7
71.05001	0.7
83.53978	0.4
85.02923	0.9
116.10818	0.4
133.36180	0.4
137.06004	0.5
163.03961	1.5
201.10468	0.4
321.09457	1.6
347.30295	0.5
373.72046	0.5
467.15326	1.0
501.13602	5.7
647.19525	100.0
648.19720	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93277	0.3
69.50195	2.3
71.05010	0.6
71.33807	0.3
84.08148	0.4
85.02897	1.4
91.05468	0.5
97.02914	0.7
103.05495	0.4
119.04952	0.4
121.06565	0.5
127.03923	0.4
135.04457	0.4
136.07582	0.5
137.06001	1.4
145.02878	1.1
147.04405	0.7
163.03850	1.7
164.04242	0.3
164.07092	0.7
167.07007	0.9
177.05521	1.3
192.24361	0.4
201.40579	0.3
239.06927	0.4
243.10461	0.4
243.61469	0.3
244.59988	0.3
249.08630	0.3
250.65660	0.4
321.09415	1.8
467.15375	1.0
501.13635	6.1
503.46082	0.4
647.19464	100.0
648.19690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12263	0.3
69.44999	1.8
69.45410	0.8
72.47003	0.3
78.57826	0.4
89.98961	0.3
97.35067	0.3
111.04419	0.4
158.82846	0.3
162.98592	0.3
212.83101	0.3
216.30589	0.3
222.11351	0.5
261.62766	0.3
266.10181	0.4
321.09451	0.8
337.83551	0.3
375.61224	0.3
467.15222	0.4
493.03262	0.4
501.13803	4.9
647.19482	100.0
648.20477	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.7
57.01939	0.4
61.02946	0.6
67.37920	0.4
69.03427	0.6
69.18010	3.5
69.18420	0.9
71.05000	2.3
73.78167	0.4
79.05502	0.8
80.43562	0.4
81.07050	1.0
82.60986	0.5
85.02910	4.4
89.03915	0.5
91.03963	0.4
91.05499	0.6
93.07056	1.4
95.08607	0.7
97.02888	0.7
97.06495	0.4
98.20914	1.8
98.97581	2.4
107.08595	1.0
109.10175	0.4
110.97581	0.5
116.98660	0.7
121.06499	1.3
123.09482	0.4
127.03926	0.8
129.05511	0.5
135.04430	1.5
135.11702	1.3
137.05997	0.9
142.05133	0.4
145.02884	1.0
147.04417	0.8
151.17285	0.4
153.12798	1.9
158.99614	0.7
163.00726	0.4
163.03917	10.5
164.04333	0.6
165.05510	0.5
195.05107	0.6
201.00691	0.7
213.04337	0.5
219.01869	1.8
221.92389	0.5
237.02846	1.3
237.04677	0.7
251.06747	0.7
263.05612	0.4
275.73914	0.4
311.85397	0.5
332.09433	0.8
332.66504	0.5
339.07532	3.2
339.11148	5.3
345.74579	0.4
347.08932	0.8
357.08469	4.0
381.08646	1.7
396.89639	0.5
399.09915	0.6
425.07816	1.1
448.00827	0.4
480.32043	0.6
485.16327	21.6
501.15631	2.9
531.14044	1.5
583.80164	0.4
647.21594	100.0
648.22046	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	647.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
62.05811	0.7
67.05508	2.1
69.07072	1.3
69.56274	4.8
70.57623	0.8
72.08183	0.7
79.05497	0.9
81.07053	4.3
89.03938	0.8
91.05487	3.3
93.07040	2.6
95.08612	4.8
98.97594	1.1
105.07024	3.1
107.08614	3.4
109.10175	2.6
119.04956	1.5
119.08586	4.2
120.42700	0.8
121.10149	3.2
131.08556	1.7
133.10136	2.5
135.11696	1.9
143.08551	1.1
145.02853	2.7
145.10150	2.2
147.04422	3.9
147.11700	2.7
149.13257	1.4
153.09161	0.7
157.10188	1.1
158.99661	1.1
159.11681	1.7
161.13271	0.8
163.03860	0.8
173.13313	1.3
175.14893	1.2
177.05515	5.9
177.09091	0.8
185.13266	1.5
187.14780	1.7
189.16338	1.2
191.17924	0.8
199.14822	0.9
201.16386	2.2
203.05414	0.8
203.17851	0.8
205.19760	0.8
213.16440	1.1
242.06169	0.7
243.08441	1.0
322.15280	3.2
389.32025	1.4
429.26077	2.7
435.32578	3.0
453.33716	1.9
483.30981	1.5
485.28607	1.8
494.16568	0.9
640.95886	0.7
647.33972	100.0
648.34479	2.6
663.73431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.05508	7.2
57.07079	2.2
57.91803	2.0
58.89991	1.9
65.03908	2.2
67.05510	10.8
69.07058	10.3
71.19643	2.4
71.59160	2.7
75.04482	4.5
79.05493	12.7
81.07069	19.2
83.08621	7.3
85.06546	2.1
89.03913	10.2
89.06037	2.2
91.05488	10.7
93.07047	16.5
95.08612	35.6
105.07042	21.2
107.08597	24.6
109.06502	2.1
109.10155	35.6
117.03395	20.7
117.07018	3.3
119.08589	38.6
121.10146	20.9
123.11698	5.3
125.06015	2.5
129.07008	2.9
131.08562	12.7
133.10149	24.6
135.11679	11.2
142.07825	2.5
143.08565	9.4
145.02858	50.0
145.03986	3.1
145.10118	18.3
147.04433	2.3
147.11703	17.3
149.05971	9.3
149.13251	7.2
153.09122	3.5
155.08611	3.2
157.10132	7.4
159.11659	12.3
161.13274	11.9
162.57999	2.0
163.11185	2.5
163.14853	3.1
164.79350	2.3
169.10127	2.6
171.11664	5.9
173.13261	11.2
175.14847	13.9
177.05478	100.0
177.16365	7.4
181.10194	2.6
183.11705	2.8
185.13246	15.3
186.05510	5.6
187.14873	11.9
189.16409	15.0
191.14330	3.0
191.17953	6.9
197.13127	3.3
199.14854	9.3
201.16382	19.0
203.14362	6.3
203.17950	16.7
211.14821	2.5
213.16408	7.3
215.17953	6.5
217.19527	4.4
221.15474	2.8
223.14972	2.5
223.57651	2.3
225.16376	4.6
227.17966	4.1
237.16602	3.4
239.17874	2.9
241.19519	3.8
245.15556	3.7
247.16875	4.6
249.14888	7.4
259.16949	5.0
261.42874	2.1
267.21075	2.7
273.18546	3.8
281.22763	3.3
297.18417	2.5
327.23148	3.0
389.31961	10.0
407.33157	4.5
424.13455	2.2
435.32605	24.1
439.16412	3.4
453.33578	8.1
482.17239	3.0
524.15326	2.2
527.17578	2.6
569.18689	13.4
586.53644	2.6
597.17963	2.8
629.21130	31.9
647.21417	3.2
647.33868	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	648.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82529	0.4
53.03917	1.5
56.96552	0.4
57.03440	0.3
65.03925	0.5
69.03404	0.9
70.06595	1.8
71.04976	1.5
71.56234	0.6
72.08125	0.4
80.05021	0.3
84.04482	0.9
84.08120	1.3
85.02905	2.1
87.04426	0.5
91.04964	0.5
91.05485	6.0
93.07050	8.2
94.51390	0.3
95.04964	1.7
97.02892	0.7
98.98467	3.9
103.05479	6.7
105.04522	0.6
115.05444	1.0
117.05739	0.9
117.06992	0.9
118.06545	1.2
121.06510	33.8
122.06774	0.6
123.07318	0.3
124.99075	0.6
125.00005	13.0
142.06517	0.7
142.08601	0.4
143.07292	1.2
144.04434	1.3
144.08087	4.6
145.02769	0.4
145.04889	0.4
146.06027	5.0
147.04491	0.4
163.03908	3.8
164.04205	0.4
170.06044	4.2
172.07579	15.3
176.07091	1.8
178.08643	10.9
188.07083	6.0
190.04971	0.9
190.08626	3.1
198.05510	2.3
202.07175	0.3
202.08649	10.5
204.10214	59.2
205.10590	0.6
206.08171	1.0
208.09805	0.5
216.06598	3.6
220.09685	3.0
222.07808	1.7
222.11252	9.4
222.13370	0.7
230.08134	6.1
234.07600	0.9
248.09203	23.7
265.04623	0.3
266.10245	11.0
270.05298	0.7
286.04868	0.9
288.06345	0.9
296.63422	0.3
300.06293	2.9
302.07874	9.5
314.04166	3.0
325.09393	0.4
328.05789	3.7
346.06879	35.5
368.14996	0.5
383.13495	0.4
386.16116	0.5
466.12582	7.1
510.13754	0.8
538.83777	0.4
550.22748	1.8
568.23975	3.8
604.27478	0.6
630.19312	1.3
648.20520	100.0
649.21185	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	648.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
69.29382	4.0
70.06606	2.1
83.62528	0.4
84.08162	1.1
85.02913	0.8
87.04488	1.2
91.05486	4.7
93.07056	4.6
95.04989	1.0
98.06082	0.6
103.05464	3.5
105.03439	0.5
105.04514	0.5
106.06542	0.5
108.04462	0.5
111.91394	0.4
117.05779	0.6
118.06562	2.6
120.04478	0.9
120.05729	2.3
120.08143	0.7
121.06511	21.5
121.08888	0.6
122.09679	0.5
126.05546	1.5
134.09685	0.8
136.07585	0.6
142.03278	0.8
144.04457	2.5
145.02904	0.5
146.06020	12.7
147.04399	0.5
148.07585	1.2
150.09177	0.6
152.07079	1.2
160.07611	0.9
162.09189	0.8
163.03943	1.7
164.07088	3.3
164.10692	2.4
165.11496	3.6
168.04846	0.6
172.03973	1.4
176.07085	2.6
178.08646	19.0
180.06694	0.5
180.10197	11.5
180.11710	0.8
183.07727	1.3
188.07069	4.7
190.04973	1.1
190.08607	5.1
192.10243	1.9
193.11014	0.7
197.10454	4.4
198.89706	0.4
204.06602	2.3
206.08133	5.5
208.09688	13.0
210.07692	0.9
216.06503	4.3
218.08110	0.7
220.09711	21.9
221.10478	0.8
222.11267	53.3
223.08557	1.1
223.12047	16.2
224.12885	2.1
229.08260	1.8
234.07645	6.7
236.09250	0.6
238.10725	0.5
248.09198	14.9
249.09923	2.7
250.05360	0.7
250.10811	2.4
254.08470	0.5
256.10034	2.6
266.10248	42.9
267.10913	0.7
268.06369	0.9
268.11765	1.8
272.13785	0.4
281.12491	0.4
282.07950	14.8
284.61386	0.5
300.09042	1.4
386.16006	10.3
387.17026	0.5
420.14731	6.2
484.18225	0.6
510.15387	15.1
630.21069	1.4
648.22235	100.0
649.21814	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	648.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01851	1.3
55.05500	5.0
56.81013	1.2
57.07079	1.4
60.23790	1.4
67.05510	9.4
68.38621	1.3
69.03406	2.1
69.07066	6.6
69.72369	8.4
71.04978	1.8
79.05503	8.4
81.07063	13.4
83.04971	5.6
83.08632	3.1
91.05487	11.5
93.07043	6.9
95.04974	46.3
95.08607	13.6
97.06545	17.1
97.10165	2.3
105.07034	24.9
107.04948	2.4
107.08606	6.9
109.06497	5.0
109.10155	12.9
111.08099	1.2
111.11651	1.4
113.05978	1.7
114.69978	1.4
117.07024	4.3
119.08582	15.7
121.06513	6.0
121.10145	2.8
123.08076	2.5
123.11720	6.4
125.06017	1.7
129.06972	3.8
131.08563	4.9
132.05666	1.8
133.06593	1.3
133.10138	3.6
135.08070	2.8
135.11700	2.4
137.06076	1.7
143.08575	2.3
145.06458	1.9
145.10149	6.3
147.08064	16.5
147.11642	2.7
149.13255	2.6
151.07523	2.0
157.10130	3.0
159.08023	2.2
159.11673	3.2
161.09573	2.5
161.13242	2.5
163.07550	4.8
163.11235	1.3
169.10133	2.1
171.11673	1.8
173.09610	1.8
173.13298	2.3
175.07568	21.9
175.11180	3.0
175.14841	4.5
177.09081	1.8
185.13203	1.9
187.14865	5.7
201.12796	3.6
203.14330	7.7
211.11189	1.8
217.16008	2.0
247.16956	5.4
257.19159	1.9
259.20618	1.9
271.20477	3.2
275.19977	2.3
279.23264	2.3
281.18930	5.2
299.20081	100.0
317.17731	2.2
317.21121	19.1
540.23438	1.5
613.44067	1.7
631.44928	2.5
631.91968	1.3
648.28052	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	42.4
57.03436	18.4
57.07071	10.4
67.05510	100.0
69.07072	30.9
69.56118	5.6
75.65410	6.0
79.05503	63.7
81.07063	85.3
83.08619	25.9
85.61232	5.8
91.05478	74.4
93.07047	71.3
95.04948	7.5
95.08611	67.5
98.20726	16.9
98.33984	6.4
105.07036	72.7
107.08614	43.6
109.10167	33.2
117.07027	19.0
119.08573	46.5
121.10153	28.5
123.11720	11.5
129.07027	8.0
130.81627	6.6
131.08574	29.6
133.10146	47.4
135.11700	20.0
143.08585	9.4
145.10130	24.1
147.11671	34.8
157.10139	11.4
158.95193	5.7
159.09113	6.2
159.11743	17.1
161.13280	24.0
171.11702	9.2
173.08434	6.7
173.13283	15.2
175.14839	12.1
241.19563	26.0
259.20627	54.6
261.22006	9.8
263.51398	6.1
315.23288	10.3
333.24213	58.5
335.25824	13.2
337.27322	97.3
373.26965	6.7
595.46875	15.7
613.48297	39.3
648.48712	38.8
673.01086	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	649.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01854	1.4
55.05508	1.0
55.47224	0.5
57.03445	7.2
59.04984	0.6
66.04720	0.8
69.03450	2.4
71.01327	0.5
71.04999	42.7
73.02914	1.3
75.04466	2.1
75.77621	0.4
79.05492	1.7
81.03398	0.6
81.07062	1.0
83.05000	2.8
85.02911	56.2
87.04466	1.4
91.05486	4.8
93.07068	0.5
94.04203	3.2
97.02896	1.6
99.04449	1.2
103.05479	4.2
105.07045	3.6
107.04944	1.7
109.06542	3.0
111.04488	2.3
115.05447	3.2
117.03338	0.7
117.05434	0.5
117.07000	1.7
119.04956	0.7
119.08594	2.8
121.06535	0.6
122.03666	5.7
127.03894	1.1
128.06213	2.6
129.05490	12.1
129.07021	1.6
131.04945	9.4
132.05704	3.5
133.06512	2.5
137.05986	100.0
141.07019	1.7
143.04958	0.9
145.04965	1.5
145.06534	1.3
146.03630	0.9
147.04489	1.1
147.06535	2.0
147.08047	5.5
149.06021	0.9
151.07542	1.8
155.04938	0.9
157.06438	0.6
159.08110	1.2
160.05226	3.1
161.06001	12.8
163.03960	0.8
163.07559	20.4
167.07057	0.9
169.06441	1.0
170.07156	0.5
171.08061	1.8
175.07564	61.3
177.05415	0.9
177.09177	0.9
179.07143	0.9
181.06602	0.6
184.05199	1.9
187.07564	4.5
188.08331	0.5
189.07245	0.5
189.09113	1.9
190.07822	1.3
191.08670	3.5
199.07561	17.9
201.09132	2.1
202.07831	3.2
203.08562	7.0
204.09396	0.6
207.07936	0.5
217.08629	2.2
218.07269	1.3
219.08089	6.1
220.08830	2.2
229.08539	1.0
231.08075	10.0
231.10211	1.0
232.08830	1.8
233.06070	0.6
233.09576	0.6
235.07466	0.6
235.11226	0.7
236.08533	0.5
237.09097	0.6
245.09750	0.8
247.07565	2.8
248.08362	4.2
249.09212	1.5
251.10672	6.5
253.08597	0.6
259.07568	6.8
260.08426	2.2
261.09158	1.2
263.10724	5.5
264.11600	0.5
265.08594	1.6
271.07642	0.9
273.09146	0.6
275.07208	1.1
275.10431	0.8
276.07855	2.5
277.08679	2.8
279.10251	3.9
280.11017	1.1
281.08194	0.9
289.08698	0.7
290.09433	0.6
291.10178	15.1
292.10931	5.5
293.08087	1.9
293.11371	0.9
295.13382	2.5
296.10458	0.8
297.11118	0.6
308.10532	2.7
309.11261	0.6
310.12015	0.5
311.12805	19.1
315.09906	0.5
323.12805	36.3
324.13339	0.6
325.14304	8.2
333.11154	0.6
335.12769	1.8
337.14328	0.8
341.13971	2.4
347.12656	0.5
353.13910	1.2
365.13873	2.0
395.15091	0.7
421.16632	1.5
439.17673	1.5
451.18018	0.6
457.18640	1.1
469.18372	0.7
538.49756	0.5
649.19647	0.8
670.35144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05513	3.0
57.07056	1.9
60.04517	0.7
61.01137	0.7
62.19901	0.6
67.05486	1.2
69.03409	1.1
69.07052	1.0
70.06578	1.8
71.04990	0.7
71.58389	0.6
72.08147	0.8
79.05484	2.0
81.07037	2.3
82.09918	0.5
83.04997	4.3
85.02912	2.6
91.05478	4.0
91.40578	0.5
91.96650	0.5
92.81979	0.5
93.07034	3.2
95.04959	1.3
95.08591	2.0
97.02913	2.8
98.97590	0.6
103.05479	6.8
105.07017	1.9
107.04948	1.5
107.08579	2.0
109.10152	0.8
117.07033	1.2
118.06519	0.8
119.04922	0.8
119.08549	2.0
120.04461	1.1
120.08109	40.7
121.06512	9.0
121.10145	0.9
123.11738	0.7
128.04955	3.0
130.06471	0.7
131.04909	1.6
131.08575	0.7
133.10123	1.3
135.08037	0.6
135.11728	0.7
136.52065	0.6
137.05984	3.0
143.08598	1.8
145.02832	1.9
145.05022	0.5
145.10165	1.2
146.06013	36.0
147.04384	1.4
147.11726	1.1
148.03911	1.9
149.05960	1.2
151.06352	0.6
152.07085	2.5
159.11707	1.1
161.13271	0.7
163.03917	1.1
163.07443	0.6
164.07089	2.8
166.04961	4.0
166.08656	6.5
167.07033	1.3
173.13303	0.6
174.05525	0.7
175.07570	0.7
175.14848	0.6
177.05461	3.3
177.50581	0.5
178.08649	0.9
180.06561	72.0
187.14835	0.8
189.16487	0.7
190.04977	0.9
192.06546	2.2
194.08197	0.7
201.05457	1.3
204.06645	0.6
207.06500	0.6
208.06090	1.6
222.07634	22.6
271.05835	0.6
305.08255	0.7
328.11850	0.8
337.10617	0.7
413.17087	1.0
423.18948	0.7
423.32248	0.6
427.18622	9.8
451.32031	1.1
453.16867	1.1
455.18124	1.1
469.19727	100.0
470.19839	2.6
487.34195	1.0
559.56293	0.6
575.23846	8.6
649.27612	1.6
649.37634	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	649.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05508	1.5
57.66980	0.8
61.01146	2.1
65.03937	5.0
67.05503	2.9
69.03418	3.1
69.07067	3.4
70.06598	2.1
71.04990	2.5
71.59328	0.7
75.19660	0.7
79.05487	2.0
81.03439	0.8
81.07071	3.8
83.04981	3.3
83.08620	1.4
84.04497	1.4
85.02908	3.1
91.05473	7.3
92.61501	0.7
93.03425	4.8
93.07047	3.7
95.04995	1.3
95.08610	6.5
97.02897	100.0
97.06543	1.5
98.03206	1.0
99.07475	0.7
99.08097	2.3
103.05445	1.5
105.07047	3.2
107.04961	2.7
107.08591	7.8
109.02879	0.9
109.06507	1.0
109.10156	3.9
111.04427	0.8
111.08083	0.8
112.79376	0.7
115.05437	0.8
117.07030	0.8
119.04948	16.0
119.08597	2.3
121.02883	2.2
121.06527	3.2
121.10139	9.7
123.08105	1.5
123.11711	0.7
125.09637	4.7
127.03976	0.9
128.06198	1.3
129.07034	0.9
131.04955	2.2
131.08592	4.6
133.10127	4.4
135.04469	1.0
135.08081	4.0
135.11710	1.9
137.05995	7.6
137.09645	1.3
139.11221	1.8
141.07005	3.8
143.08615	1.1
144.05721	3.1
145.02872	3.1
145.10173	2.4
147.04416	86.5
147.11685	2.7
149.02330	4.0
149.06027	0.9
149.09636	2.9
149.13297	5.1
151.11195	21.0
152.06139	0.9
153.07022	1.5
157.06523	2.8
158.07210	0.8
158.10945	1.0
159.08060	20.5
163.03908	1.2
163.14832	3.1
165.12804	2.5
167.03400	25.0
167.07088	1.2
169.06479	6.9
169.07613	1.1
171.08069	3.0
173.13252	3.3
175.03941	0.9
175.07570	1.4
177.05489	5.0
180.06578	6.4
181.06891	1.1
183.05846	0.8
185.06015	2.9
187.07549	10.7
189.09117	1.2
191.14305	19.6
197.04317	1.3
197.05980	8.6
199.07623	1.0
200.05600	1.5
201.05438	1.4
205.15965	1.1
206.04524	0.7
209.15367	25.0
215.07007	15.0
220.05992	7.1
222.07639	0.9
223.60489	0.8
226.11356	0.8
243.06570	4.5
261.07578	51.4
262.07162	4.0
279.08640	6.9
279.10852	0.7
287.05487	9.6
291.08722	0.8
309.09698	1.2
359.65262	0.9
409.15942	0.8
423.18005	1.1
444.79791	0.7
451.17453	1.1
452.17444	1.7
453.14694	7.0
469.12952	2.8
575.18909	1.6
649.24579	5.8
649.37695	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14178	0.7
55.05503	1.4
56.52028	0.6
57.03429	0.7
61.01149	1.3
61.02892	0.6
61.86728	0.6
62.34381	0.5
65.03938	4.0
67.05496	2.7
69.03426	3.8
69.07084	1.4
71.04981	1.5
71.58084	1.0
74.11990	0.6
79.05486	0.9
81.03422	3.6
81.07040	1.5
83.04962	1.5
84.08152	0.8
85.02905	8.3
85.06544	1.0
91.05479	8.5
93.03411	5.4
93.07050	1.6
95.04969	2.4
95.08627	2.1
97.02895	100.0
98.97584	0.7
103.05446	1.3
105.07047	1.3
107.04973	1.8
107.08582	3.3
109.02940	0.9
109.06521	3.2
109.10162	1.4
111.04474	0.8
115.05443	1.4
117.03342	0.8
117.07034	0.7
119.04946	16.3
119.08555	2.1
121.02876	3.9
121.06537	1.6
121.10161	3.6
123.04382	0.9
123.08082	2.5
123.11703	1.9
127.03899	1.7
128.06221	1.5
129.07077	1.3
131.04935	1.9
131.08582	4.9
133.10100	1.1
137.05972	6.4
137.09625	2.6
137.13242	0.7
141.07005	4.6
144.05687	3.5
145.02840	2.6
145.04929	2.0
145.06468	1.1
145.10124	0.8
147.04411	85.7
147.11681	1.6
149.02319	5.0
149.05986	0.6
149.09610	2.9
149.13255	1.8
151.07739	0.7
151.11197	12.0
152.06219	1.0
153.07014	1.5
155.04843	0.7
157.06511	2.8
158.07275	1.6
159.04436	0.9
159.08054	24.0
161.05965	1.1
161.09602	0.6
163.03871	1.4
163.07587	1.1
165.12759	27.4
167.03406	26.0
167.05585	0.6
169.06470	9.8
169.07663	1.3
171.08067	3.7
175.03900	0.9
175.07541	1.2
177.05467	5.2
180.06543	2.4
181.06529	0.5
185.06009	2.6
187.07532	12.8
189.09102	0.9
191.14340	1.8
193.15848	2.0
197.05983	10.0
199.07550	1.4
201.05440	2.2
207.06711	0.6
207.97531	0.7
209.15364	71.9
215.07030	18.3
225.05505	1.4
233.08044	0.7
243.06540	5.6
247.07491	0.8
261.07581	48.8
279.08688	6.9
291.10284	0.7
325.10684	0.8
345.10632	0.8
423.17584	1.2
436.51566	0.6
453.17538	0.7
469.14386	1.1
487.16577	0.8
524.50775	0.6
587.23077	0.7
649.23889	3.3
649.37115	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.5
51.08595	3.7
51.15144	3.9
53.03937	13.1
55.01876	5.9
55.05512	31.5
57.03428	13.3
65.03941	6.2
67.05505	76.0
69.03434	18.4
69.07065	22.9
71.05000	8.0
71.57921	5.3
79.05052	7.3
79.05495	96.7
81.03419	44.0
81.07060	69.4
83.04993	29.2
83.08620	8.8
85.02889	14.0
85.06550	7.8
86.09706	6.1
91.05485	100.0
93.07048	89.7
95.04984	36.5
95.08605	41.8
97.02899	12.0
97.06512	8.3
97.10165	4.0
99.04501	5.0
103.05437	4.1
104.10762	5.2
105.04523	4.2
105.07034	75.5
107.04942	19.6
107.08580	34.8
109.02884	5.8
109.06500	11.2
109.10149	13.5
111.04437	4.9
111.08096	4.0
115.05386	6.2
117.07038	22.5
119.08587	43.3
121.06496	18.1
121.10163	12.4
123.08062	13.5
125.00040	5.0
127.03961	5.7
128.06232	8.7
129.07002	42.5
131.04976	5.2
131.08553	22.7
133.06488	10.5
133.10132	18.0
135.08017	9.1
135.11711	7.4
141.07018	7.3
142.07846	3.5
143.08556	23.0
145.06508	8.5
145.10083	21.0
147.04417	6.9
147.08052	8.4
147.11682	48.5
155.08635	8.6
156.09572	4.1
157.06470	4.1
157.10190	8.8
159.08102	5.6
159.11682	4.9
161.09572	9.6
161.13271	19.1
163.03958	5.2
163.11246	4.8
169.10213	4.2
171.08054	8.0
171.11691	41.9
171.79880	4.1
173.04425	10.6
175.11180	5.4
179.14339	4.8
181.10139	6.7
182.57307	4.4
184.07343	22.0
185.09625	4.1
188.92497	4.6
189.03816	4.9
189.12762	16.8
207.13803	44.0
225.14789	6.0
226.93991	6.9
241.15919	8.8
269.15381	11.9
281.17480	62.7
287.16400	16.3
335.25598	5.0
351.17957	6.8
425.21655	10.8
469.14465	57.4
487.30515	55.3
539.33899	4.3
549.31946	4.4
567.32855	13.3
576.94165	5.6
631.34955	10.3
649.39581	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	649.3955
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
54.83379	7.3
55.05504	12.0
57.55662	6.5
67.05499	28.6
69.03455	19.9
69.07080	34.5
70.06594	11.0
71.58425	14.0
73.02923	8.4
78.78384	8.4
79.05499	16.9
81.07057	58.8
81.71039	8.2
83.08636	10.4
85.02911	26.1
91.05462	38.1
93.07035	40.1
95.01323	27.1
95.04971	7.6
95.08608	76.8
97.02892	41.4
98.97607	12.1
105.07035	74.7
107.08591	78.0
109.10167	66.4
111.08085	17.7
115.14268	7.4
119.08595	69.7
121.06502	19.2
121.10142	43.2
123.11711	15.4
127.03979	8.2
131.08578	14.2
133.10146	62.8
135.11662	35.1
137.05977	48.4
139.11171	7.1
141.01855	86.2
143.08540	8.4
145.02829	16.4
145.10127	34.7
147.04405	24.7
147.11708	59.8
149.06004	9.3
149.13292	54.2
159.02914	11.9
159.11728	35.3
160.41074	7.9
161.13216	40.4
163.03867	8.7
163.14841	31.6
165.09213	9.4
169.10065	12.3
171.11703	16.0
173.13261	23.1
175.14841	33.7
177.05496	28.8
177.16418	36.1
180.06493	11.1
187.14799	34.1
189.16423	80.4
189.38243	7.3
191.17961	11.1
199.14847	13.2
201.05482	16.1
201.16357	57.5
203.17961	68.3
205.15807	11.5
207.17456	14.3
213.16391	14.1
215.17967	29.7
217.19609	8.3
219.17461	8.3
227.17979	11.3
235.17030	9.7
237.02771	10.6
247.17014	11.5
263.06833	7.4
283.24060	9.9
305.08197	15.0
337.10696	21.9
391.33548	20.0
409.34689	62.9
435.32614	11.0
437.34232	100.0
455.35229	30.6
487.33926	16.2
567.35962	8.3
579.50873	7.6
628.11023	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	649.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25382	0.9
55.05510	5.7
56.86273	0.9
57.07066	2.5
60.30188	0.7
60.49782	0.8
64.54340	0.8
67.05505	4.9
67.53158	1.1
68.88723	0.8
69.07074	6.2
71.09812	2.3
79.05484	3.5
81.06641	1.2
81.07066	12.1
82.41811	0.8
83.08637	7.4
89.03914	7.4
91.05488	6.5
93.07058	9.8
95.08611	22.3
97.10161	1.5
105.07037	12.8
107.08604	23.3
109.10160	13.0
117.03384	20.6
117.07008	1.8
119.08594	28.0
121.10148	21.1
122.08480	1.0
123.11713	11.2
129.07037	1.1
131.08575	5.8
133.10136	19.4
134.03603	2.2
135.04424	2.2
135.08130	0.8
135.11705	12.2
137.13197	2.2
139.07562	1.1
143.08536	3.3
145.02863	53.6
145.10126	11.1
147.11699	15.2
149.05983	9.2
149.13286	10.0
153.05504	1.9
153.09123	1.3
157.10115	2.1
158.06062	0.9
159.11688	10.8
161.13254	10.5
163.03902	3.3
163.14856	8.0
169.09981	1.0
171.11679	2.3
173.13239	4.7
175.14827	12.8
177.05484	100.0
177.16391	14.2
185.13306	1.9
186.05548	3.0
187.14847	5.6
189.16380	22.5
191.17940	6.8
195.04736	1.5
195.06535	27.2
199.14856	1.5
201.16403	15.1
203.17984	29.0
205.15845	6.8
205.19522	1.5
207.17448	3.9
213.16394	3.3
215.17950	17.2
217.19481	2.3
221.19022	1.2
227.17963	1.1
229.19511	1.0
235.16949	5.1
239.17952	1.3
241.19495	1.6
243.21077	1.8
247.16930	8.9
249.18497	4.0
253.19563	0.9
255.20912	1.5
261.18494	11.3
267.21198	1.3
273.18634	1.1
295.24319	1.5
305.04327	1.2
315.23233	1.7
327.23245	1.1
355.26379	1.6
391.33594	8.1
394.28625	1.7
409.34741	10.5
411.32623	9.4
437.34241	36.4
440.28943	2.7
455.34888	2.3
487.52539	1.0
649.44135	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.8
55.32591	1.4
55.41261	1.3
57.07073	3.8
63.15398	1.4
67.05514	9.1
67.90087	2.0
69.07072	11.4
78.04776	1.5
79.05487	4.9
81.07064	15.4
83.04975	2.1
83.08631	10.5
85.06554	1.6
86.09715	2.3
89.03941	8.4
91.05490	7.9
93.07056	15.7
95.04976	3.6
95.08624	31.5
97.10166	1.7
98.20691	3.5
105.07034	20.5
106.06006	1.6
107.08602	24.0
109.06541	2.9
109.10176	15.6
114.14272	1.5
117.03388	21.9
117.07084	2.4
119.08597	31.2
121.06494	2.0
121.10145	20.4
123.11701	7.7
125.06046	2.5
131.08543	4.5
133.10150	17.4
134.03647	1.7
135.04448	2.7
135.08116	2.4
135.11696	14.1
137.05986	1.8
137.13271	1.9
143.08554	4.0
145.02861	49.8
145.10136	12.8
147.11705	17.1
149.06010	7.2
149.13258	10.5
157.10114	3.2
159.11717	9.5
161.13278	10.2
163.03934	4.3
163.14827	7.2
165.12718	4.0
171.11673	2.1
173.13332	6.0
175.14880	13.3
177.05481	100.0
177.16394	11.6
184.07321	4.0
185.13307	2.0
186.05547	4.0
187.14841	6.4
189.16423	26.1
191.14409	1.9
191.17950	4.5
195.06560	23.5
199.14861	2.0
201.16411	26.6
203.16260	1.4
203.17969	33.3
207.17470	7.1
213.16406	5.9
215.18008	14.1
227.17915	2.5
229.19482	4.3
235.16963	3.9
241.19601	6.0
241.53687	1.6
243.21185	4.1
247.16997	3.5
249.18536	4.3
255.21045	2.2
259.16766	2.2
261.18533	6.0
267.21167	2.2
272.55869	1.7
348.85638	1.5
391.33615	9.0
409.34613	9.0
411.32257	8.3
417.20157	1.9
437.34143	32.3
649.45563	12.5
664.02869	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03952	0.4
55.05515	2.7
56.23042	0.4
57.07062	1.3
58.53058	0.5
64.19619	0.4
65.03912	0.5
67.05503	4.3
69.07071	5.6
78.04720	0.6
79.05487	3.1
81.07056	9.9
83.08617	4.2
89.03918	6.0
91.05476	4.5
91.47024	0.5
93.07044	8.5
93.91741	0.4
95.04945	0.4
95.08611	17.4
97.10173	1.3
103.05440	0.9
105.07033	9.4
107.08599	13.2
109.06496	0.9
109.10153	6.7
117.03384	17.5
117.07018	1.5
119.08582	19.1
121.06473	0.6
121.10144	12.1
123.11696	6.3
127.77802	0.5
129.07018	0.5
131.08575	3.9
133.09122	0.6
133.10130	12.8
134.03622	1.4
135.04388	1.4
135.11711	7.6
137.09595	0.5
137.13255	1.6
143.08557	1.7
145.02847	45.0
145.10120	7.9
147.11685	11.2
149.05981	7.2
149.13245	5.5
151.14731	0.7
153.05473	0.7
153.09157	1.0
155.93738	0.5
157.10158	1.6
158.05974	0.6
158.10846	0.8
159.11705	6.3
159.82840	0.5
161.13246	6.0
162.03146	0.9
163.03925	3.1
163.07439	0.6
163.11160	0.7
163.14845	4.9
165.12785	0.9
169.10159	0.7
171.11707	1.6
173.13275	3.3
175.14828	9.2
177.05472	100.0
177.14948	0.9
177.16380	8.3
178.05832	0.7
180.33807	0.4
183.11655	0.8
185.13292	0.9
186.05504	3.2
187.14824	3.0
189.16383	19.1
191.17984	3.5
193.15981	0.6
195.06532	37.4
199.14748	1.5
201.16386	15.6
203.17964	22.5
205.15919	1.2
205.19516	0.8
207.17455	3.8
211.14774	0.6
213.16418	5.1
215.17970	13.0
217.19510	1.6
219.17464	0.7
221.15356	1.3
225.16446	1.0
227.17986	0.9
229.19580	1.2
233.15352	0.6
235.16960	1.5
239.17883	1.1
241.19551	2.1
243.21039	1.9
247.16895	3.5
249.18488	2.0
253.19531	0.7
255.21077	1.1
259.17001	1.1
261.18530	4.2
267.21039	1.4
269.22653	0.8
273.18338	0.5
285.03400	0.5
285.18417	0.6
299.20004	0.6
301.21729	0.8
315.23389	0.5
329.24826	0.7
355.26392	0.7
365.31979	0.5
383.82019	0.5
391.33630	6.0
394.28677	0.7
409.34650	8.4
411.32556	6.5
437.34149	26.4
447.42191	0.5
613.12408	0.5
649.44147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4097
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
53.03957	0.5
55.05507	3.3
56.77790	0.4
57.07072	1.3
63.02379	0.6
64.68716	0.4
67.05499	4.1
69.03441	0.6
69.07072	5.3
70.74671	0.9
70.75043	1.1
78.04720	0.5
79.04274	0.5
79.05496	2.6
81.07058	10.3
83.08620	4.0
89.03922	6.0
91.05473	5.3
93.07045	8.4
95.08608	16.3
97.10157	1.4
103.05472	0.6
105.07034	10.1
107.07867	0.9
107.08593	15.1
109.10151	8.8
117.03381	16.2
117.06970	0.7
119.08580	15.4
121.06497	0.5
121.10146	14.7
121.94618	0.5
123.11701	6.5
125.05959	0.5
129.07054	0.6
131.08569	3.8
133.10132	13.1
134.03639	1.5
135.04416	1.4
135.11697	7.3
137.13222	1.4
143.08638	2.5
145.02847	45.9
145.10115	8.0
147.11696	10.2
149.05975	7.3
149.09621	0.9
149.13266	4.8
151.07445	0.5
151.14862	0.8
153.09129	1.5
157.10078	1.6
159.11694	5.9
161.13258	7.3
162.03046	0.6
163.03925	2.5
163.14824	3.5
165.12799	0.7
169.10126	0.8
171.11673	1.5
173.13303	3.9
175.14844	7.1
177.05470	100.0
177.16396	11.2
178.05855	0.9
183.11685	0.6
185.13252	1.1
186.05537	2.3
187.14827	3.2
189.16379	15.1
191.14258	0.7
191.17932	4.2
195.06535	32.9
197.13252	0.8
199.14859	1.3
201.16393	11.8
203.17958	17.3
205.15828	3.7
205.19688	0.6
207.14006	0.6
207.17430	2.4
209.15332	0.7
211.14827	0.5
213.16342	3.1
215.17958	12.2
217.19505	1.5
219.17464	0.7
221.18922	0.7
223.33287	0.5
227.17963	0.8
229.19510	1.4
231.91391	0.5
235.16927	2.8
241.19510	1.5
243.21129	1.7
247.16940	4.9
249.18440	1.7
249.99323	0.5
253.19511	1.4
255.21054	1.2
259.16843	0.5
261.18509	8.8
267.20987	0.7
269.22565	0.8
287.19962	0.7
295.24323	0.7
299.20035	1.1
301.21613	0.5
309.25705	0.6
313.21677	0.5
315.23163	1.0
327.23431	0.6
330.87866	0.5
365.32025	1.1
391.33572	5.0
392.40991	0.5
394.28583	1.5
409.34515	5.2
410.96252	0.5
411.32538	7.9
437.34195	25.6
438.34286	0.7
455.35077	0.6
640.88385	0.5
649.44202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
56.26558	0.1
58.06602	0.3
60.08167	5.2
60.08474	0.3
65.21279	0.1
66.02386	0.2
67.05507	0.6
71.07380	3.5
71.38741	0.4
74.09720	0.3
79.05492	0.3
81.07061	0.4
86.09711	28.2
90.37996	0.2
93.07063	0.3
94.46605	0.2
95.08627	0.3
97.06609	0.1
98.98469	2.9
104.10757	2.4
107.08597	0.4
107.47771	0.1
109.10165	0.5
111.33237	0.2
121.10146	0.2
124.44996	0.2
125.00012	18.6
133.10178	0.2
143.00987	0.2
147.11641	0.2
152.15189	0.2
184.07352	100.0
185.07570	0.2
288.68704	0.2
492.11365	0.2
496.34219	0.2
650.43842	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	651.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66316	0.9
53.03944	1.3
53.14958	0.9
55.05511	4.1
55.30627	1.0
57.07075	1.5
65.03947	1.2
67.05496	7.7
69.03443	1.3
69.07065	6.6
71.58625	1.7
77.03944	1.4
79.05495	6.7
81.07063	16.5
83.04965	4.7
83.08625	3.4
89.03919	8.8
91.05479	7.8
93.07056	14.4
95.04977	2.5
95.08610	23.2
97.06534	1.7
97.10200	1.9
104.07925	1.0
105.07038	17.9
107.04961	4.2
107.08591	24.1
109.10152	18.3
111.08077	2.0
117.03386	12.6
117.07035	3.4
119.08587	33.5
121.02827	2.0
121.10152	16.9
123.04446	1.3
123.08041	1.9
123.11694	5.4
125.09624	3.5
129.06976	1.1
131.08565	10.5
133.10136	22.0
134.42006	1.0
135.04428	19.3
135.11708	8.4
137.09569	1.1
139.11218	1.2
143.08580	4.4
144.09340	2.0
145.02846	12.4
145.10117	22.2
147.04393	3.1
147.11674	13.3
149.09518	1.4
149.13309	7.0
157.10168	5.1
159.11697	20.3
161.13266	10.6
163.03909	100.0
163.14764	7.4
169.10182	1.4
171.11697	4.2
173.13261	13.1
175.11317	1.3
175.14838	14.2
177.16393	9.2
179.14265	1.1
181.04974	4.6
183.11737	2.0
185.13307	4.1
187.14835	22.9
189.16382	22.5
191.14357	3.9
191.17902	5.2
193.15843	1.5
197.13347	1.3
199.14845	7.1
201.16382	29.0
203.14330	2.9
203.18018	9.0
205.15906	7.1
207.17445	3.0
211.14871	1.8
213.16388	11.8
215.14401	1.3
215.17920	13.2
217.15871	4.8
217.19568	2.7
219.13911	1.3
219.17400	13.3
225.16280	2.0
227.18011	3.9
229.19495	1.4
231.17534	2.0
233.15347	1.5
233.19038	1.7
235.16890	7.6
239.17921	1.5
241.19595	2.6
243.21101	2.3
247.16930	5.3
249.14673	1.3
255.21043	2.3
257.22626	1.9
259.16876	2.6
261.18518	1.7
267.21048	2.7
281.22690	1.8
327.23248	1.7
341.24805	1.4
365.58603	1.1
389.32010	5.3
407.33109	29.3
409.34686	3.5
423.32507	1.9
435.32556	13.0
451.31882	1.8
453.33627	29.9
469.33157	6.6
486.31967	1.3
496.32074	1.5
633.37689	1.4
668.85712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
54.83632	0.6
55.05508	8.4
56.54554	0.6
57.07078	2.8
59.23285	0.6
63.02374	1.1
65.03946	0.7
67.05510	8.4
69.07069	9.4
70.76868	1.7
71.04988	0.7
79.05494	6.8
81.07062	15.8
83.08625	11.8
85.06551	0.9
89.03912	6.7
91.05476	7.0
93.07050	14.6
95.04978	1.4
95.08609	34.1
97.10176	1.6
97.13074	0.6
99.08073	3.1
105.07032	20.7
107.04945	1.9
107.08595	28.7
109.06523	1.0
109.09446	1.1
109.10153	12.9
111.11750	1.3
114.06601	0.6
115.05456	0.6
117.03383	8.4
117.07009	3.6
119.08588	39.5
119.16148	0.6
120.09422	0.7
121.06467	1.3
121.10143	21.1
123.08042	0.9
123.11700	11.2
125.09624	0.7
128.06233	1.1
129.07013	2.6
130.07787	0.6
131.08580	14.7
131.39890	0.6
133.10139	19.3
135.04424	17.9
135.05414	1.3
135.08084	0.9
135.11696	17.8
137.09518	0.5
137.13271	3.8
139.07602	0.8
142.07715	1.0
143.08572	7.5
144.09329	0.7
145.02853	13.1
145.10124	24.3
147.11700	15.2
149.06009	0.7
149.13261	9.4
151.11148	0.8
151.14845	1.3
153.09134	1.2
155.08521	1.9
156.09360	1.1
156.73697	0.6
157.10127	8.6
158.10898	1.6
159.11696	20.3
160.12468	0.8
161.09633	0.9
161.13271	11.0
163.03914	100.0
163.07510	2.9
163.11092	1.5
163.14841	7.9
169.10165	5.2
170.10872	1.2
171.11696	9.0
172.12440	0.9
173.09709	0.9
173.13261	13.7
175.14828	17.7
177.09114	0.9
177.16371	10.5
179.14346	0.8
181.04962	19.4
181.06511	1.1
181.10147	0.8
181.12184	1.0
182.10976	0.6
183.11702	4.3
185.13275	9.0
186.05521	0.9
187.14822	18.5
189.09096	0.8
189.16391	22.6
191.17984	4.3
193.15976	1.2
195.11676	2.2
197.13266	5.0
198.13991	1.0
199.14830	13.1
201.16394	30.0
203.14290	4.9
203.17938	10.0
205.12242	0.8
205.15936	5.6
207.17424	6.4
209.13293	2.8
211.14842	8.8
213.16383	12.9
215.14360	1.9
215.17949	6.7
217.15936	1.1
217.19548	1.6
219.13831	2.3
219.17494	2.4
221.15401	1.4
223.14775	1.5
223.16771	0.7
225.16422	3.1
227.17912	4.5
229.15930	0.8
229.19498	2.2
231.13789	2.2
231.17468	3.1
233.15376	3.9
237.16306	1.0
239.17923	3.2
241.19562	2.8
243.13841	0.9
243.21043	0.8
245.15372	6.6
247.16953	4.1
249.14771	6.4
251.17982	1.0
253.19586	4.6
255.21207	1.5
257.15439	1.2
257.22607	1.2
259.16968	6.6
261.18533	0.8
265.19608	1.8
267.21088	4.8
269.22427	0.8
273.18408	0.9
279.21085	1.7
281.22644	1.0
283.16983	1.2
283.24130	0.8
285.18414	1.7
287.20041	1.1
293.22617	1.0
295.24319	1.0
297.18387	0.9
299.20258	3.2
305.22672	0.7
307.24396	1.4
311.20251	0.8
313.21802	1.5
319.24179	1.1
325.21646	1.9
327.23154	1.7
333.25613	1.1
335.27271	0.9
339.23276	0.8
352.23666	0.7
353.24835	2.2
363.30469	2.5
365.24866	0.9
379.26382	1.0
389.32047	11.9
391.33582	2.2
392.26892	0.7
402.63950	0.6
407.33112	21.0
409.25601	1.3
409.30991	24.0
409.36276	1.2
425.34219	3.9
427.32007	1.8
435.32602	42.4
436.32874	1.0
453.33673	19.2
469.14456	1.3
532.84937	0.7
629.25812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05510	4.7
57.03424	0.4
57.07079	1.1
65.03948	2.3
67.05511	5.4
69.03439	1.1
69.07065	4.0
70.82413	1.3
79.05492	4.7
81.03403	0.6
81.07060	12.2
82.25249	0.4
83.04984	3.7
83.08629	4.4
85.06500	0.6
85.43671	0.5
86.09731	0.5
91.05485	22.2
93.07050	13.4
95.04990	2.3
95.08614	17.7
97.06531	1.1
97.10176	0.8
98.21273	0.6
98.54387	0.5
99.08083	3.2
105.07039	15.7
107.08604	21.5
109.06531	2.1
109.10167	9.7
111.08101	2.2
113.85166	0.5
115.05425	1.0
117.07023	2.8
119.04955	26.9
119.08591	27.0
121.06503	1.4
121.10153	13.9
123.08094	1.1
123.11710	5.1
125.05980	0.6
125.09637	3.7
128.06264	0.9
129.06967	2.3
130.07802	0.5
131.08578	13.1
133.10141	15.7
135.08058	1.3
135.11711	6.8
137.05963	0.6
137.09633	2.1
137.13237	0.7
139.03912	0.6
141.07022	0.5
142.07803	1.7
143.08575	7.2
144.09267	1.2
145.10135	20.0
147.04420	100.0
147.11699	11.5
147.12662	0.3
149.09695	1.0
149.13258	4.6
151.07489	0.5
151.11180	2.1
151.87149	0.5
153.09071	0.8
155.08557	2.4
156.09375	1.7
157.10136	8.2
158.10904	1.4
159.08109	0.7
159.11708	16.5
161.09694	1.1
161.13283	8.2
163.03905	1.1
163.07565	1.7
163.11165	0.9
163.14871	2.4
165.05513	5.4
167.08539	0.8
168.09340	0.6
169.10158	3.2
170.10954	1.2
171.11697	7.1
172.12436	0.6
173.13272	12.4
175.14824	9.1
177.16370	3.0
179.14288	0.7
181.10172	0.8
182.10968	0.6
183.11690	4.1
184.12476	0.7
185.09692	0.5
185.13271	13.9
186.14102	0.6
187.14836	22.6
189.12767	0.7
189.16391	5.7
191.14336	2.1
191.17966	1.2
193.15955	0.9
195.11739	1.6
197.13231	4.7
198.13927	0.7
199.14827	14.1
199.16229	0.6
201.16388	17.6
203.12617	0.8
203.14334	5.7
203.17979	1.8
205.15895	5.7
207.11810	0.5
207.13910	0.5
207.17505	1.2
209.13260	1.4
211.14816	3.6
213.16391	11.8
215.14252	1.1
215.17976	3.3
217.15833	3.7
219.13760	0.9
219.17471	4.8
221.15405	0.7
223.14796	0.8
225.16463	2.5
227.17964	1.9
229.15936	1.3
231.17412	3.3
233.15416	3.6
233.19028	1.0
237.16391	1.4
239.18033	2.6
241.19473	2.5
243.17488	0.8
243.21080	0.8
245.15408	3.1
247.16989	1.5
249.14804	4.8
253.19460	2.5
255.21133	1.0
257.19037	0.8
259.16983	3.3
265.19580	1.3
267.21027	3.2
269.22824	0.7
279.21234	0.8
281.22702	0.9
283.20706	0.9
293.22498	1.1
297.22113	0.8
299.20218	0.8
299.23682	0.7
307.24341	0.5
335.23944	0.6
345.26056	0.6
347.27335	1.2
349.25208	0.7
351.22974	0.6
351.26865	0.8
377.24808	0.5
377.32257	0.7
387.30502	3.5
387.34885	0.7
389.31891	1.3
393.27823	1.8
405.31577	23.6
406.32025	0.6
407.33380	5.9
415.30240	0.6
417.38391	0.5
421.31216	0.9
423.32590	7.7
433.31036	8.4
441.33734	0.6
451.32120	14.0
469.33194	16.6
553.19373	0.6
651.36603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4112
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
53.03951	5.1
55.05516	11.9
57.03432	4.0
67.05516	20.0
69.03442	17.7
69.07074	16.9
70.06590	8.4
71.04977	4.3
71.58889	2.6
73.31444	2.8
79.05493	18.5
81.03415	3.5
81.07059	46.8
83.08624	8.3
85.02913	52.9
85.83118	2.1
86.09720	4.6
91.05473	23.8
93.07052	40.4
95.04971	4.5
95.08615	70.8
95.88274	2.8
97.02921	13.8
97.10197	3.6
98.97570	6.4
99.08105	10.8
105.07039	52.2
105.07751	2.5
107.08601	68.4
108.08910	3.0
109.02887	5.2
109.06521	3.1
109.10162	48.3
110.97561	2.7
111.08080	13.9
111.30230	2.4
111.41185	2.9
115.05462	3.5
117.06988	7.8
119.04964	3.5
119.08590	72.0
121.06547	11.2
121.10155	41.9
123.08022	3.8
123.11686	14.0
125.09610	5.2
127.03954	13.3
128.42416	2.4
129.07031	4.6
131.04996	3.1
131.08592	27.1
133.10132	42.1
135.11696	25.6
137.05980	10.8
137.13229	5.3
139.11197	3.2
143.08586	16.4
145.02873	6.5
145.04976	9.6
145.06439	2.6
145.10149	46.3
147.04446	10.8
147.11700	46.4
149.13258	46.7
151.07597	5.7
155.08589	2.9
157.10172	14.8
159.06650	2.8
159.11693	34.1
161.13251	31.1
163.03946	4.0
163.06061	3.6
163.07607	6.2
163.11180	2.4
163.14780	13.9
165.09137	3.6
169.10176	8.0
171.11674	13.8
172.12505	2.7
173.13269	26.5
175.14839	28.3
177.05513	8.5
177.16376	16.8
180.06583	10.0
183.11725	6.9
185.13298	22.7
186.14166	3.0
187.14859	33.9
189.16411	29.9
191.17947	7.2
195.11673	3.3
195.17435	4.3
197.13252	8.1
199.14822	20.5
201.16405	53.2
203.14349	6.2
203.17970	17.8
205.12225	3.0
205.15805	12.9
207.17424	18.3
211.14853	7.5
213.16377	19.3
215.14404	3.3
215.17964	13.3
217.15837	5.0
217.19617	3.5
219.17416	8.4
221.15419	3.3
222.07701	4.7
223.14847	3.7
225.16370	8.1
227.17981	7.5
229.19511	4.5
231.13737	3.6
233.15434	5.6
239.17931	5.4
239.77991	3.3
241.19499	5.3
245.15428	7.2
247.16930	13.6
253.19524	4.6
255.21126	4.7
259.17001	7.3
262.07111	2.8
267.21222	7.0
270.51743	2.7
271.06070	7.5
273.18539	2.9
281.22778	3.2
285.18494	4.7
287.20023	2.7
290.18332	2.9
297.18246	3.8
325.21579	4.9
339.28973	3.3
349.29117	3.8
367.29956	11.1
389.32150	16.0
395.29355	13.6
407.33167	43.3
413.30673	13.3
423.32739	18.6
425.34113	16.7
435.22086	3.5
435.32660	100.0
436.21689	6.0
453.27911	4.9
453.33731	68.5
471.17035	4.8
471.34439	8.3
667.61334	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	651.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76145	2.8
53.03952	5.6
55.05518	20.1
57.03440	4.1
57.07068	6.0
61.02921	5.9
67.05507	25.6
69.03438	21.9
69.07075	28.6
69.83655	14.8
70.06577	8.7
71.04982	3.1
79.05492	27.9
81.03442	7.4
81.07063	72.6
83.04981	7.1
83.08627	21.3
84.08119	3.5
85.02908	81.7
86.09731	4.3
91.05483	28.3
93.07049	53.0
95.08618	83.7
97.02898	25.7
97.06530	3.7
97.10175	8.2
98.20785	4.2
98.97610	4.6
99.04427	3.9
103.05471	9.7
105.06404	3.9
105.07050	58.8
107.04950	3.4
107.08601	71.3
109.02896	8.8
109.06535	6.7
109.09467	4.7
109.10170	67.8
111.04431	3.3
111.08090	10.9
111.11739	7.1
115.07616	3.3
117.03390	3.6
117.07025	7.4
119.04955	3.8
119.08593	72.7
120.08112	10.0
121.06520	37.2
121.10155	52.8
122.06851	3.9
123.08049	3.0
123.11695	24.3
125.09650	9.8
127.03903	14.7
131.08600	28.7
132.04440	3.0
133.10146	53.4
135.07994	3.1
135.11708	33.9
137.06003	16.8
137.13251	7.5
139.11186	5.3
143.08528	15.2
145.02832	5.3
145.04977	12.6
145.10138	37.2
147.04401	9.0
147.11690	46.7
149.09641	3.8
149.13263	47.8
151.03903	3.5
151.11174	4.9
155.08601	6.2
157.10173	14.8
159.11732	37.2
161.09663	5.6
161.13284	40.1
163.03928	7.7
163.06096	5.0
163.07472	4.6
163.11220	4.4
163.14873	25.0
165.12703	3.9
169.10153	6.1
171.11717	16.6
173.13278	38.0
175.07516	4.0
175.14865	35.5
177.05490	12.7
177.09132	5.8
177.16389	24.7
179.14322	6.6
180.06618	20.2
181.10217	3.9
183.11719	8.9
185.13235	25.5
187.14857	32.1
189.16394	45.5
191.14287	4.0
191.17952	11.2
193.15968	6.8
197.13298	4.6
197.15375	6.4
199.14810	24.7
201.16383	61.2
203.14284	9.2
203.17990	47.4
205.15887	34.2
205.19472	8.4
207.17464	9.2
211.14793	5.9
213.16420	29.0
215.17986	19.0
217.12271	4.0
217.15918	7.4
217.19545	10.7
219.17480	9.0
220.06064	47.0
220.78180	3.5
221.18985	5.4
222.07744	4.5
225.16339	6.5
227.17943	10.8
229.19458	7.0
231.17409	5.5
233.15439	4.5
233.19041	4.6
237.16455	6.1
239.17979	8.3
241.19514	12.8
245.15367	13.3
247.16888	11.2
249.14868	12.6
253.19504	7.1
259.16959	7.9
262.07089	26.3
267.20963	7.6
273.18558	4.8
279.21133	4.5
281.22745	5.7
285.18457	5.4
287.20126	10.3
295.24301	3.5
299.20157	7.2
321.27805	4.5
339.29053	9.0
351.22919	3.2
353.24603	4.4
367.30228	3.4
389.31952	22.1
391.33429	5.9
395.29355	17.1
407.33099	38.2
409.34451	7.2
413.30396	7.2
423.32498	10.1
425.34109	10.2
435.32602	82.4
441.33804	7.8
453.33728	100.0
471.17691	43.6
471.34494	10.8
489.36072	4.9
577.22333	6.1
651.40674	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	651.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.7
69.21938	8.9
69.22372	8.0
81.04892	1.9
93.07094	2.0
98.21624	3.3
102.36887	1.7
105.08665	2.1
119.08624	2.0
124.80811	1.7
125.24400	1.6
149.15096	2.0
169.48299	1.9
253.11948	1.8
286.56030	1.8
317.21039	5.3
373.23337	2.2
651.45984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58464	1.9
52.34283	1.8
53.03949	3.8
53.24196	1.8
54.89521	1.9
55.05514	25.5
56.96559	2.4
57.03428	6.3
57.07079	49.8
59.04987	2.6
67.05511	12.7
69.03439	21.0
69.07069	63.1
70.78865	6.2
71.04981	2.9
71.08636	44.7
76.97671	2.4
79.05495	9.8
81.07063	42.5
83.04973	4.6
83.08626	50.4
85.02915	16.4
85.06538	6.8
85.10188	27.0
87.04477	12.6
91.05479	8.2
93.07063	18.5
95.04972	1.9
95.08613	48.5
97.02909	22.5
97.06519	11.3
97.10173	32.6
99.11733	5.1
101.06026	3.2
105.04745	1.9
105.07037	19.4
107.08593	24.7
109.06555	3.9
109.10170	30.4
111.08089	6.4
111.11727	25.4
113.13295	2.8
115.03926	25.1
115.07573	10.1
119.08590	24.8
121.06477	2.5
121.10148	21.8
123.08063	9.4
123.11681	18.5
125.09685	3.3
125.13289	11.0
127.03928	2.9
127.07545	5.5
129.09094	7.7
131.08542	2.2
132.31104	2.2
133.04953	17.1
133.10143	20.8
133.30228	2.0
135.11731	15.5
137.05989	18.6
137.09613	10.7
137.13246	9.1
139.11174	3.7
139.14825	6.2
141.09091	9.3
143.10651	5.9
145.04970	3.9
145.10060	3.4
147.11699	25.6
149.09642	3.9
149.13278	11.1
151.11218	11.6
151.14781	3.4
153.12732	4.1
153.16350	4.2
155.10674	8.4
157.12254	3.2
159.11694	4.4
161.13243	23.2
163.11060	2.6
163.14828	6.3
165.12756	19.9
165.16380	2.1
167.14256	3.1
169.12250	14.3
169.19371	2.1
171.13811	5.0
173.13245	2.9
175.14848	9.5
177.16385	4.2
179.14326	17.3
183.13811	30.4
185.15387	6.1
187.14819	2.1
187.60262	2.1
189.16348	5.1
193.15874	8.1
193.19611	3.1
195.04947	1.9
197.15390	32.0
199.16905	5.1
201.16551	2.9
203.18024	3.8
207.17439	4.9
209.22556	2.7
211.16870	11.1
213.18503	5.3
217.19434	3.6
221.19048	2.9
225.18489	9.6
231.21004	3.1
239.20110	8.2
241.21640	4.5
249.22256	4.1
253.21555	10.6
263.27368	5.1
267.23151	9.2
277.09064	2.1
287.27325	8.0
295.10187	8.8
295.29584	2.2
305.28430	20.7
323.29456	100.0
347.29410	6.5
365.30515	4.2
383.29703	3.3
389.30579	6.0
401.30319	10.8
407.31409	5.3
419.31558	10.0
437.32831	3.3
616.21289	2.5
652.93872	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	652.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31802	13.2
55.05503	42.3
67.05514	100.0
68.05847	13.8
69.03425	27.3
69.07050	17.2
71.57873	19.2
71.58280	12.9
79.05496	66.3
81.03434	20.0
81.07068	84.0
83.04985	16.3
85.06528	12.9
91.05470	49.3
93.07038	62.4
95.08612	62.4
97.06515	13.8
105.07028	42.6
107.08607	60.6
109.10173	87.4
117.07050	20.4
119.08584	49.8
121.10146	50.6
123.11687	17.5
125.09624	18.6
129.07005	14.1
131.08534	20.5
133.10133	27.3
135.11711	22.5
145.10114	31.4
147.11714	28.2
157.10022	12.0
159.11703	23.8
161.13283	12.5
173.09703	11.9
173.11775	13.9
173.13300	19.2
184.07422	19.6
189.11205	33.3
257.19016	16.2
259.64862	15.0
275.20041	91.5
279.23196	37.6
293.20947	19.2
401.26688	15.3
634.40778	25.9
652.42126	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92410	13.7
54.68137	11.3
55.05511	21.1
60.12468	11.1
67.05509	99.4
69.07059	38.8
70.68323	30.7
72.69837	13.0
79.05492	38.5
79.08398	12.2
80.09834	12.3
81.07065	100.0
83.08633	24.3
85.06544	26.9
91.05471	49.1
93.07019	64.7
93.81921	12.0
95.04929	15.1
95.08588	38.1
97.06533	12.8
105.07034	34.8
107.08610	50.8
109.10155	48.9
111.35670	12.2
117.07048	11.6
119.08580	29.6
121.10118	57.9
123.11696	24.4
131.08571	13.8
133.10103	30.2
135.07988	13.4
135.11700	43.4
145.10143	22.1
147.11662	16.5
149.13255	28.6
157.10080	13.9
161.30197	13.5
163.11134	14.0
184.07361	18.4
241.19502	17.5
259.20596	56.7
277.21689	76.7
290.87662	13.1
295.22678	29.1
483.78070	12.5
553.42285	14.2
571.43121	16.8
652.42780	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	653.2081
Annotation	Aeschynanthoside D
Peak:m/z	Relative Intensity
53.03944	0.5
55.01884	0.4
55.05513	0.3
57.03431	1.1
60.26001	0.3
63.94761	0.3
65.02089	0.3
67.05515	0.3
69.03423	1.8
69.96391	0.6
69.96786	0.7
70.06578	0.4
71.05000	10.1
74.14529	0.3
79.05495	0.7
81.03413	1.1
83.04979	0.9
85.02914	11.7
86.09692	0.4
89.03917	3.5
91.05514	0.6
95.04955	0.8
97.02895	3.7
99.04453	1.0
101.05422	0.3
105.00946	0.3
107.04959	1.7
109.02889	0.5
109.06425	0.3
111.04437	1.0
117.03398	5.2
121.06531	0.8
123.04427	3.0
125.05972	0.4
127.03923	0.5
129.05478	3.2
133.02834	0.4
133.06506	0.3
135.03394	0.5
135.04424	10.7
137.05984	0.8
139.03908	0.8
145.02861	8.7
147.04420	0.5
147.06528	0.7
149.06073	0.4
151.03906	1.3
151.04990	0.3
153.05476	13.3
161.05983	0.6
163.03918	100.0
164.04266	0.9
165.05530	1.6
167.03395	0.8
167.07056	1.2
175.03911	0.6
177.05511	0.8
179.06996	0.4
181.05000	1.7
182.05650	0.4
183.06520	1.3
187.07571	0.3
189.05516	0.7
191.07016	0.5
193.04913	0.5
195.06551	0.7
207.06616	2.5
219.06544	0.8
231.06567	0.9
235.06061	0.5
237.07407	0.3
249.07625	0.7
249.50404	0.3
261.07730	0.4
273.07529	0.4
275.09079	0.8
291.08600	1.2
293.10269	1.1
307.08157	0.9
309.09708	1.0
311.11255	0.5
311.24719	0.3
325.09216	9.0
489.13956	2.1
653.26312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01871	0.3
57.03453	1.5
62.34479	0.3
63.02371	0.4
69.03442	1.6
70.06597	0.3
70.99767	0.6
71.01363	0.3
71.04997	10.5
77.03961	0.3
79.05480	0.6
81.03419	1.2
83.04976	0.8
84.08124	0.4
85.02911	10.5
87.04472	0.5
89.03922	3.5
91.05471	0.3
93.07065	0.3
95.04971	0.5
95.34967	0.3
97.02901	3.8
99.04461	0.8
105.03410	0.5
107.04960	1.3
109.02927	0.3
111.04431	1.0
112.11234	0.5
117.02527	0.3
117.03384	5.2
121.06494	0.9
123.04432	2.9
124.11345	0.3
127.03901	0.6
129.05499	3.0
133.02858	0.7
133.06508	0.6
135.04433	10.3
137.05989	0.6
140.49858	0.3
145.02866	9.0
145.03905	0.4
146.23555	0.3
147.04430	0.5
147.06474	0.7
149.05968	0.3
151.03909	1.1
152.04633	0.3
153.05484	13.0
161.05988	1.0
163.03915	100.0
164.04268	0.5
165.05461	1.1
167.03429	0.6
167.07033	1.0
173.06047	0.4
175.03918	1.2
177.05484	0.9
181.04990	1.5
182.05782	0.3
183.06584	1.4
187.07486	0.3
189.05521	0.7
191.07080	0.4
193.05026	0.5
195.06500	0.5
203.07118	0.3
207.06595	2.5
216.89261	0.3
217.05089	0.3
219.06549	1.0
221.08107	0.4
229.08690	0.3
231.06641	0.9
237.07526	0.3
249.07681	0.5
261.07675	0.4
273.07678	0.6
291.08524	1.5
293.10291	1.1
307.08264	0.6
309.09747	1.2
311.11218	0.7
325.09207	9.7
453.11572	0.4
471.14508	0.4
489.14001	1.7
653.26727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2826
Annotation	Saludimerine B
Peak:m/z	Relative Intensity
52.57924	0.5
52.61375	0.6
53.03952	0.6
53.07907	0.5
55.05512	3.3
57.07078	33.8
65.03941	12.2
69.07054	1.1
70.87527	1.8
70.99594	0.6
79.05498	1.2
81.07072	0.9
83.04985	11.8
87.33014	0.5
88.48905	0.6
91.05479	8.2
91.91588	0.5
95.08609	1.1
97.01130	1.1
98.98452	1.0
99.02682	100.0
104.06264	1.2
105.07038	6.1
107.08618	1.7
109.10152	0.9
115.05444	1.6
117.07021	1.8
119.08585	4.1
121.10175	1.1
129.07011	1.1
130.07843	0.6
131.08560	0.9
132.09366	2.6
133.10133	2.0
141.06955	4.4
141.43678	0.6
142.07780	3.3
147.08047	1.1
147.11688	32.7
147.22636	0.6
159.08096	2.2
161.13243	2.1
166.99307	1.8
169.07559	1.5
171.38464	0.5
173.04228	1.9
175.01575	10.7
175.05746	1.0
175.19632	0.6
178.99220	1.2
187.01581	1.4
189.16423	0.9
197.00340	9.0
221.03481	0.9
227.04710	2.1
239.04744	3.2
243.07756	1.0
254.98360	1.0
255.02452	2.6
267.15771	0.7
273.03430	11.8
273.06271	0.9
276.96649	0.6
285.67487	0.6
311.08853	0.8
329.09705	15.8
353.00055	18.2
360.57346	0.6
385.15884	3.0
400.11566	0.6
409.06424	10.8
485.09521	5.5
487.21619	0.8
536.61542	0.6
541.15814	25.3
542.16199	0.9
561.25403	0.7
597.22034	79.9
598.22900	1.2
626.47711	0.8
635.28656	0.8
653.28290	84.3
654.29102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47725	0.3
53.03940	0.8
57.03442	0.6
69.03433	2.1
70.68471	0.4
70.68794	0.6
71.04991	2.3
79.05506	0.5
81.03400	0.8
83.04990	0.5
85.02905	3.6
89.03930	1.5
91.05501	0.8
92.39658	0.4
95.04976	0.9
97.02901	5.8
99.04444	0.4
101.02393	0.5
103.05437	0.5
105.03424	0.4
106.38728	0.3
107.04967	1.5
109.02845	0.3
111.04442	0.5
113.02380	0.4
117.03384	2.7
118.19650	0.3
121.06525	4.0
123.04432	6.5
125.06003	2.0
127.03918	0.4
129.05473	0.5
135.04420	6.8
136.04805	0.4
137.06004	0.5
139.03903	0.6
141.05388	0.4
141.22205	0.3
144.76874	0.3
145.02858	6.3
147.90810	0.3
151.03952	0.7
151.05055	1.0
152.04657	0.4
153.05476	100.0
154.05821	1.2
163.03918	61.0
164.04260	3.0
166.06250	1.3
167.07042	1.1
181.05023	1.9
181.06288	0.4
183.06566	2.5
184.07323	85.7
185.07631	0.5
215.83624	0.4
305.57697	0.4
307.08087	0.8
307.82117	0.4
311.59653	0.3
325.09201	18.1
326.09436	0.7
391.22186	0.4
508.15695	2.1
654.25671	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83749	0.2
57.03459	0.2
60.22780	0.2
65.53407	0.2
69.03426	0.2
70.23823	0.6
78.29057	0.2
85.02895	0.4
94.04079	0.2
97.02876	0.3
98.97606	0.4
119.03562	0.7
121.06483	0.3
136.06194	100.0
137.04631	0.3
137.06622	0.4
163.03905	0.5
164.04398	0.2
187.13316	0.2
201.00815	0.2
219.01749	0.3
225.48718	0.2
255.28719	0.2
268.10425	32.9
332.22552	0.2
339.07568	0.2
363.08774	0.2
375.45993	0.2
378.24225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
54.41692	0.6
55.05510	3.3
56.96545	0.6
57.03433	0.7
57.07071	0.7
65.03943	1.7
67.05508	14.9
67.19560	0.5
69.03426	1.0
69.07075	3.1
69.23727	4.6
71.05009	0.9
79.05060	0.9
79.05494	14.3
81.03405	1.5
81.07059	17.9
83.08606	2.1
84.13837	0.5
85.02910	2.6
91.04893	0.7
91.05479	15.0
93.06467	1.0
93.07053	16.8
95.04940	1.1
95.08609	13.3
96.41469	0.5
97.06526	0.7
97.10169	0.8
99.08086	0.9
103.05470	2.4
105.04525	0.7
105.07035	6.5
107.08602	10.3
109.10146	6.1
110.28617	0.5
111.08083	0.8
117.07012	3.8
119.04948	17.6
119.08589	5.2
121.10156	10.3
123.11752	2.6
125.09616	1.0
131.04938	8.0
131.08563	6.3
133.10136	5.2
134.15237	0.5
135.11705	7.3
137.05983	11.0
137.13293	1.3
143.08582	0.9
145.04991	0.9
145.10126	5.0
147.04414	100.0
147.11687	4.5
148.04785	0.9
149.13278	5.7
151.11192	0.6
151.14864	0.5
159.11681	4.5
161.05934	0.6
161.13263	3.8
163.07542	6.5
163.14874	3.2
173.13293	4.1
175.07558	1.3
175.14871	1.3
177.16467	0.8
179.07037	25.7
180.08687	1.2
187.07480	1.1
187.14815	2.1
188.07100	0.9
201.16438	1.0
203.10760	0.6
213.09361	0.6
215.18094	0.6
217.12346	0.7
233.22714	0.8
241.19553	1.0
243.21077	7.5
259.20541	2.8
261.22150	25.7
277.21426	0.6
315.79138	0.6
349.65417	0.5
421.27493	1.1
437.34369	0.8
439.28632	4.3
457.29572	1.5
523.61542	0.6
637.10699	0.6
642.71716	0.5
654.35858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41962	2.0
55.61527	2.0
62.48965	2.0
63.32035	2.2
67.05498	3.4
69.07067	4.2
69.61018	7.3
69.61443	5.7
79.05482	2.6
81.07056	8.8
83.08598	3.7
91.05488	8.0
93.07044	9.5
95.04973	16.2
95.08614	14.9
103.04465	2.1
105.07040	7.0
107.04987	4.4
107.08598	15.0
109.10168	7.4
113.74249	1.7
115.14346	2.0
119.04959	7.9
119.08578	16.5
121.06551	2.8
121.10149	12.9
123.04443	100.0
123.11697	7.7
125.09654	2.0
131.08624	4.0
133.10146	11.2
135.05122	2.0
135.11711	7.3
137.13254	3.7
143.08501	2.4
145.10144	7.7
147.04416	53.8
147.11665	8.2
149.13307	5.3
159.11731	7.2
161.13264	5.5
163.14851	2.9
165.05479	66.5
173.13274	4.6
175.14850	8.4
177.09155	2.4
177.16396	7.0
178.15884	2.5
187.14832	6.4
189.16383	10.0
191.17838	4.0
199.14838	2.4
201.16412	13.5
203.17920	16.1
205.15950	3.0
213.16415	5.7
215.18033	16.8
217.19534	2.2
219.17293	4.6
241.19637	2.0
247.17017	6.1
261.18546	15.9
264.90280	2.0
276.13657	4.5
320.16220	5.1
363.42932	2.0
391.33759	4.5
407.32889	10.2
409.34576	7.4
411.32477	5.3
427.35681	2.8
435.32489	6.8
437.34241	39.5
453.33606	3.0
455.35452	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32378	0.1
65.03933	0.2
67.01867	0.8
68.54022	0.1
68.99774	0.7
69.03423	0.3
69.93273	0.5
70.06575	0.2
81.03413	1.0
83.81660	0.1
85.02889	0.3
89.03909	0.3
91.05490	3.7
95.04974	0.2
97.02884	0.4
98.21433	0.1
99.04463	0.2
103.05463	0.2
104.91951	0.1
109.02876	0.5
117.03387	0.3
119.04948	5.2
121.06552	0.2
124.71396	0.1
127.03941	0.2
129.01862	0.1
129.03329	0.1
131.04857	0.1
132.02097	0.2
135.04425	1.7
137.02361	0.8
137.05968	0.4
145.02858	0.4
146.72966	0.1
147.04417	4.6
148.19138	0.1
149.02412	0.2
151.03889	0.2
153.01836	6.3
157.03984	0.5
161.02362	1.2
163.03929	0.3
167.07072	0.2
170.75029	0.1
171.02921	0.8
175.03911	9.5
177.05513	0.4
179.03407	0.5
179.07016	0.4
185.05978	0.1
192.04144	0.1
201.05481	0.1
203.03401	0.2
207.06538	26.3
208.06892	0.3
219.06523	0.3
225.07591	0.3
231.06573	0.2
241.05002	0.8
245.04520	0.3
259.06052	0.1
269.04526	0.4
287.05505	100.0
288.05856	1.3
294.69336	0.1
351.10678	1.8
351.14731	0.2
369.11877	1.7
391.65311	0.1
393.82312	0.1
655.15588	0.2
660.74945	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	655.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93408	0.2
59.80525	0.2
69.31567	2.1
69.60817	0.2
79.05521	0.2
80.00670	0.2
83.81941	0.2
95.08624	0.4
169.04765	0.5
184.37468	0.2
184.44604	0.2
198.08331	0.2
202.06049	0.2
217.04730	1.5
232.07065	11.0
233.07918	1.2
273.09848	0.3
347.11508	0.2
445.25684	1.8
655.34558	100.0
656.35242	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14711	0.3
53.03961	0.4
55.01884	0.2
57.03450	1.4
57.03662	0.3
61.72496	0.2
67.01057	0.3
69.03416	1.1
69.64997	0.5
69.65401	1.5
70.06570	0.5
71.04995	9.2
73.02920	0.3
81.03408	0.3
81.07011	0.3
83.04960	0.6
85.02905	10.9
85.60030	0.2
89.03917	2.6
91.05479	0.7
97.02897	2.4
99.04444	0.5
103.05490	0.4
110.07149	0.4
111.04449	0.4
112.74064	0.3
117.03387	9.2
119.04930	0.5
121.06483	0.4
127.03925	0.4
129.05484	2.8
129.95859	0.3
131.04907	0.5
134.03598	0.7
135.04411	1.9
137.06001	1.5
137.09563	0.3
145.02849	34.0
146.08116	1.0
147.04431	1.4
147.06512	0.8
149.05981	3.6
151.07469	0.3
163.03915	17.3
164.09227	1.0
165.05473	0.7
167.99983	0.3
175.07613	0.4
177.05475	100.0
178.05821	0.9
179.07013	0.5
181.04951	0.4
186.05525	0.7
194.08154	0.3
195.06580	0.8
203.07182	0.3
205.04800	1.0
206.05142	0.3
207.06381	0.3
218.61310	0.3
233.08144	0.3
245.08124	0.6
247.09731	0.4
269.08142	0.3
271.98071	0.3
287.09186	0.7
305.09979	0.6
309.09702	0.5
320.89926	0.3
323.11310	1.5
325.09189	2.8
339.10751	5.7
351.74643	0.3
656.24329	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02371	0.5
53.03742	0.2
53.03950	2.6
55.01867	0.3
55.98289	0.2
65.03920	0.2
69.03439	0.5
69.19141	1.5
77.03932	0.8
81.03432	0.5
85.02906	0.5
91.05484	8.7
93.07050	13.0
95.04972	2.3
97.02903	0.3
98.21296	0.8
102.04738	0.2
103.05475	10.0
105.04543	1.1
121.06512	100.0
122.06831	0.6
144.04434	0.3
146.06004	0.6
153.05460	0.8
154.05815	0.5
162.05573	0.3
163.03928	0.8
176.07091	0.9
178.08633	4.3
178.10094	0.3
184.07362	0.7
185.07697	0.4
190.05000	0.2
204.06557	0.9
210.11324	0.5
222.07617	4.8
236.09273	0.4
248.44991	0.2
288.61789	0.2
298.14359	0.5
324.12457	0.5
342.13361	5.9
352.50586	0.2
356.14682	0.2
374.16016	1.1
494.21671	1.7
504.18658	2.6
518.20221	0.2
536.21362	0.3
624.24506	0.8
656.27039	47.0
657.27527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13093	0.7
65.03941	5.2
67.05497	3.1
69.03433	0.9
69.07067	2.5
69.73257	0.6
71.04978	0.6
74.09698	2.2
81.04773	0.9
81.07050	2.4
83.04985	1.0
89.03941	3.2
91.05495	1.5
93.03407	6.7
93.07073	0.8
95.05019	0.9
95.08604	2.3
97.02898	100.0
105.07021	1.2
107.08593	0.9
109.10143	2.1
110.03680	0.9
111.04375	0.9
115.05471	0.8
117.03381	10.4
119.08651	0.9
121.02871	2.6
121.06516	1.0
121.10165	0.9
123.11685	1.2
124.05156	0.9
125.02385	0.9
125.06024	1.7
128.06244	1.1
128.66864	0.7
129.06992	5.5
135.04494	1.1
137.05986	2.3
139.03889	1.1
139.05484	1.0
141.06996	1.9
145.02858	33.6
145.10133	1.0
149.02359	9.4
149.05978	4.0
151.03943	2.6
157.06473	7.4
159.11763	1.0
163.03987	1.1
163.07556	1.0
167.03421	54.1
167.04880	3.3
169.06519	3.0
177.05475	73.3
178.05754	0.9
185.06050	2.4
186.05545	1.1
187.07559	1.8
188.08304	2.0
189.05481	1.5
189.09114	8.0
199.07545	5.3
201.09151	1.0
207.06573	1.5
213.05566	1.2
215.07048	1.4
217.08592	7.0
227.07011	5.7
244.60541	0.8
245.08128	11.7
273.07632	3.4
281.42554	0.8
291.08640	48.5
309.09738	7.7
339.10840	1.1
339.35583	0.8
432.60645	0.8
673.33124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01869	6.5
55.05294	2.1
55.05515	20.0
57.03447	20.2
57.07080	56.7
65.03933	3.8
67.05511	68.1
68.47623	1.8
69.03406	3.1
69.07075	62.9
69.55258	11.6
71.04641	2.0
71.05000	22.4
71.08639	40.8
73.02900	5.3
77.56879	1.4
79.05499	57.7
81.03429	14.0
81.07063	68.2
83.04980	12.3
83.08615	23.2
85.06534	3.8
85.10181	21.9
91.05488	39.1
92.31494	1.6
93.06465	2.8
93.07047	46.3
95.04979	15.2
95.08611	54.3
97.06539	100.0
97.10166	7.2
99.08083	5.1
99.11692	1.8
105.04509	1.5
105.07039	28.2
107.04969	10.0
107.08601	23.3
109.06519	14.1
109.10167	20.6
111.08087	6.4
111.11724	2.9
115.05427	2.4
115.07580	46.6
117.07016	19.8
119.08575	16.2
121.06481	7.5
121.10149	13.6
123.08075	4.4
123.11697	8.7
125.09690	2.4
128.06230	1.8
129.06975	8.0
131.08585	18.6
133.06517	3.5
133.10149	14.8
135.08047	8.7
135.11688	5.7
136.76933	1.7
137.09567	2.6
137.13226	1.7
139.11176	2.6
142.07809	2.2
143.08568	6.5
145.10127	8.8
147.08023	5.4
147.11696	7.2
149.09656	5.6
149.13303	7.7
151.11153	2.8
157.10083	6.5
159.11716	11.1
161.09634	5.2
161.13220	2.2
163.11226	3.9
165.09106	1.7
169.10109	2.2
171.11702	4.4
173.13315	2.4
175.11177	4.4
177.12784	8.4
185.13254	3.8
189.12857	2.0
193.12198	2.2
195.13765	4.2
199.11234	1.6
199.14883	2.5
201.12730	2.6
203.14259	1.6
217.15862	8.1
221.15341	3.2
227.17949	3.6
233.15414	4.2
235.16908	1.9
237.16454	2.1
239.23689	6.0
245.19044	4.8
251.16331	1.9
253.14308	9.4
255.17575	2.3
263.20117	2.8
267.15979	6.2
269.17493	11.9
273.18527	32.5
291.19580	17.9
297.16998	3.7
307.19116	2.7
313.27393	83.5
314.27676	1.8
323.18552	1.8
339.65063	1.5
341.26929	9.2
344.05591	1.4
347.22159	11.8
355.66391	1.6
365.23233	14.5
383.23953	2.0
383.31537	1.8
493.39224	2.1
505.38846	2.2
507.40491	67.8
523.39447	2.5
535.40015	5.8
545.41919	2.0
585.45068	3.5
603.45959	14.0
621.46759	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	657.3764
Annotation	Mauritine J
Peak:m/z	Relative Intensity
67.05526	0.4
69.91295	1.6
81.07074	0.8
98.20842	0.5
117.07018	0.3
119.08580	0.5
131.08571	0.5
135.11823	0.3
137.15637	0.3
187.03671	9.0
187.05275	0.6
219.10164	1.2
356.44052	0.3
424.55371	0.4
493.32904	3.2
607.93024	0.4
657.37640	100.0
658.38269	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3766
Annotation	Mauritine J
Peak:m/z	Relative Intensity
64.01655	0.3
69.07066	0.3
79.05470	0.3
81.07057	0.5
89.06047	0.3
95.08666	0.3
99.53534	0.3
105.06992	0.3
107.08581	0.4
109.10074	0.4
119.08620	0.3
123.58593	0.3
142.91533	0.3
143.07291	0.2
159.04167	3.5
194.70808	0.3
203.03159	24.6
244.05884	0.4
254.12360	0.3
284.90573	0.3
305.75818	0.3
412.15799	0.4
427.17593	0.4
455.17252	0.9
462.84296	0.3
464.02478	0.3
464.92767	0.3
477.33676	0.6
483.16754	1.0
517.47913	0.3
527.15741	2.4
568.76886	0.3
626.16064	0.3
629.22522	1.4
657.22125	4.9
657.37616	100.0
658.22845	0.3
658.37598	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16924	0.3
52.33662	0.4
53.34862	0.3
58.00138	0.4
60.13382	0.4
67.05457	0.5
67.58851	0.3
70.06564	0.4
71.40598	0.5
71.93285	0.4
80.51871	0.3
81.07019	0.4
91.05441	0.5
109.10110	0.4
135.71016	0.3
203.05255	0.8
275.07379	1.1
283.14450	1.5
300.85098	0.4
335.09500	48.2
336.09857	0.4
345.27707	0.4
657.38251	100.0
658.38654	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	658.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03941	0.5
55.01874	0.2
55.05495	0.2
65.03935	1.8
67.05489	0.2
69.03435	1.5
69.07051	0.2
70.06583	0.5
70.89157	0.5
71.05000	0.4
79.05502	0.7
81.03419	2.4
81.07067	1.6
84.08199	0.2
85.02927	1.2
86.09700	0.2
89.03954	0.3
91.05486	17.9
93.03405	0.6
93.07059	0.8
93.86555	0.2
95.04982	0.7
95.08604	0.3
95.84721	0.2
97.02898	5.5
99.04420	0.4
105.07024	0.3
107.04965	0.4
107.08594	0.9
109.02890	1.4
109.06524	1.2
111.04449	0.5
115.03847	0.2
117.03387	1.0
119.04955	11.0
119.08589	0.2
121.02876	12.1
121.06496	0.5
123.00803	0.7
127.03924	1.1
127.04700	0.2
135.04425	0.4
135.11696	0.7
137.05986	100.0
138.06335	0.4
139.03918	2.0
139.05409	0.2
145.02861	4.4
145.04868	0.4
149.02336	2.3
149.05984	0.5
151.03929	0.3
151.07574	0.6
153.05504	0.2
153.12689	0.3
155.03468	0.2
161.06012	0.4
163.03931	1.3
164.06987	0.2
165.05467	0.3
167.03416	3.6
175.07573	0.6
177.05482	12.8
178.05759	0.2
179.07047	2.4
181.04974	3.9
187.06012	0.7
187.07524	0.2
189.05521	0.4
189.09175	0.4
191.03386	1.3
203.07185	0.2
205.04991	0.4
205.06987	0.3
209.04448	1.0
215.06987	0.2
217.08669	0.4
223.06007	5.6
245.08159	0.5
247.27269	0.2
250.59863	0.2
265.07025	2.7
273.07623	0.6
283.08102	2.1
291.08533	2.2
309.09720	2.3
341.12506	0.3
345.09760	2.1
387.10855	0.9
419.13525	0.7
477.29022	0.2
533.75238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03941	0.5
55.01874	0.2
55.05495	0.2
65.03935	1.8
67.05489	0.2
69.03435	1.5
69.07051	0.2
70.06583	0.5
70.89157	0.5
71.05000	0.4
79.05502	0.7
81.03419	2.4
81.07067	1.6
84.08199	0.2
85.02927	1.2
86.09700	0.2
89.03954	0.3
91.05486	17.9
93.03405	0.6
93.07059	0.8
93.86555	0.2
95.04982	0.7
95.08604	0.3
95.84721	0.2
97.02898	5.5
99.04420	0.4
105.07024	0.3
107.04965	0.4
107.08594	0.9
109.02890	1.4
109.06524	1.2
111.04449	0.5
115.03847	0.2
117.03387	1.0
119.04955	11.0
119.08589	0.2
121.02876	12.1
121.06496	0.5
123.00803	0.7
127.03924	1.1
127.04700	0.2
135.04425	0.4
135.11696	0.7
137.05986	100.0
138.06335	0.4
139.03918	2.0
139.05409	0.2
145.02861	4.4
145.04868	0.4
149.02336	2.3
149.05984	0.5
151.03929	0.3
151.07574	0.6
153.05504	0.2
153.12689	0.3
155.03468	0.2
161.06012	0.4
163.03931	1.3
164.06987	0.2
165.05467	0.3
167.03416	3.6
175.07573	0.6
177.05482	12.8
178.05759	0.2
179.07047	2.4
181.04974	3.9
187.06012	0.7
187.07524	0.2
189.05521	0.4
189.09175	0.4
191.03386	1.3
203.07185	0.2
205.04991	0.4
205.06987	0.3
209.04448	1.0
215.06987	0.2
217.08669	0.4
223.06007	5.6
245.08159	0.5
247.27269	0.2
250.59863	0.2
265.07025	2.7
273.07623	0.6
283.08102	2.1
291.08533	2.2
309.09720	2.3
341.12506	0.3
345.09760	2.1
387.10855	0.9
419.13525	0.7
477.29022	0.2
533.75238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
52.93022	0.2
53.03941	0.5
55.05482	0.4
57.03437	0.4
64.69156	0.3
65.03938	1.7
67.05499	0.4
69.03429	1.7
70.06593	0.7
70.83887	0.6
79.05487	0.6
81.03416	2.1
81.07059	1.5
85.02921	1.2
89.03910	0.4
91.05483	19.3
93.03398	0.4
93.07067	1.7
95.04964	1.3
95.08590	0.3
97.02898	6.7
99.04443	0.4
102.45917	0.3
105.07046	0.4
107.04987	0.3
107.08587	1.5
109.02889	1.8
109.06544	1.3
111.04462	0.7
111.58595	0.2
117.03387	2.0
119.04951	10.0
121.02874	13.4
121.06516	0.6
123.00753	0.6
127.03929	1.3
131.05005	0.3
135.04434	0.4
135.11670	1.0
137.05986	100.0
138.06332	0.8
139.03928	2.6
145.02858	6.3
145.04918	0.5
147.04456	0.5
149.02367	2.3
149.06046	0.5
151.07542	1.4
153.05464	0.5
153.12753	0.7
155.03278	0.3
155.74611	0.2
157.06554	0.6
163.03957	1.3
164.07019	0.3
165.05486	0.3
167.03426	4.0
175.07553	0.5
177.05476	14.4
179.07040	2.4
181.04974	5.2
187.06035	0.8
187.07555	0.4
189.05533	0.4
189.09117	0.6
191.03462	2.1
195.15779	0.2
205.07019	0.3
209.04443	1.2
217.08705	0.4
223.06046	5.8
227.07057	0.3
228.45680	0.3
234.74562	0.3
245.08044	0.6
265.07025	2.8
273.07550	0.7
283.08148	2.2
291.08652	2.5
309.09763	2.3
312.02881	0.2
341.12231	0.3
345.09790	2.5
387.10696	1.2
388.64572	0.3
419.13556	0.9
611.11230	0.3
658.26196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81750	0.3
53.03941	0.5
57.03444	1.3
69.03431	1.6
70.06595	0.5
71.05001	8.4
73.02926	0.4
78.19296	0.2
79.05482	0.9
81.03430	0.8
81.07049	0.3
83.04981	0.6
84.08121	0.3
85.02912	10.4
86.09714	0.3
89.03916	2.3
91.05473	0.5
93.07043	0.6
95.04948	0.4
97.02903	3.7
98.97603	0.3
99.04479	0.7
101.02383	0.3
107.04971	2.9
107.46823	0.3
109.02886	0.4
109.06532	0.3
111.04427	0.5
114.36307	0.3
117.03387	3.9
119.04968	0.4
121.06506	1.8
123.04443	1.0
127.03923	0.8
129.05487	2.6
132.07753	0.3
135.04436	10.0
137.05965	1.2
145.02856	8.3
145.04799	0.3
147.04396	1.0
147.06529	1.1
149.05966	0.5
151.03879	0.3
153.05478	2.9
162.02322	0.3
163.03918	100.0
164.04277	1.0
164.07037	0.4
165.05524	0.8
175.08649	0.3
181.05006	1.7
182.08217	0.5
273.07507	0.3
307.08337	0.4
309.09714	0.9
325.09210	15.5
363.79150	0.3
411.86444	0.4
459.13135	0.6
658.25006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.05523	1.4
56.24085	0.5
61.02917	0.5
65.03945	5.6
67.05513	3.4
69.03429	1.0
69.07070	1.3
70.06592	1.7
71.58357	0.6
79.05505	3.5
79.05888	0.5
81.03431	1.0
81.07063	2.0
83.04989	0.8
85.02910	1.6
89.03922	3.0
91.05483	7.5
93.03410	6.2
93.07052	22.9
95.04976	1.3
95.08606	2.9
97.02898	84.7
97.06528	0.8
103.05501	0.6
105.04514	0.6
105.07063	2.5
107.05006	0.6
107.08604	19.9
109.06544	1.1
109.10130	0.5
110.26980	0.5
111.04444	0.9
115.05453	0.5
117.03388	12.1
119.04972	1.1
119.08634	0.5
119.80554	0.4
121.02858	2.7
121.06525	1.5
123.04423	0.8
125.02370	1.1
125.05989	0.9
127.03856	0.5
128.06232	1.5
129.07010	4.5
134.03596	0.5
135.04414	0.7
135.11707	16.5
137.05975	10.7
139.03893	0.9
139.05412	0.9
141.06993	1.4
145.02855	44.9
145.90146	0.6
147.04414	0.8
149.02347	9.5
149.06007	4.2
151.03893	3.0
151.07571	1.1
153.12750	0.8
157.06509	6.9
163.03949	1.5
163.07516	0.7
164.07062	0.6
164.41148	0.5
165.05478	0.7
167.03423	56.4
169.06516	3.1
174.06812	0.6
175.07545	0.6
177.05479	100.0
178.05804	0.7
179.07036	1.7
180.06555	0.6
181.04950	0.6
185.06020	2.3
186.05469	0.6
187.07587	1.0
188.08356	1.6
189.05476	2.0
189.09100	8.2
191.06941	0.6
195.04361	0.8
195.06552	0.8
199.07568	4.9
207.06595	2.3
212.04738	0.6
213.05458	1.2
215.07057	1.1
217.08617	7.7
223.06055	1.0
227.07031	5.8
245.08116	11.2
273.07510	3.0
291.08640	41.4
309.09683	8.7
339.10895	0.8
387.10474	0.6
443.20517	1.1
450.70840	0.6
630.08484	0.5
658.25494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
55.01852	0.4
55.05515	1.2
55.37808	0.3
57.07085	0.5
63.02388	0.6
65.03947	3.8
67.05509	1.6
69.03429	2.1
69.07084	1.1
70.06602	0.9
71.10981	0.4
71.58704	0.4
73.49346	0.3
79.05502	2.8
81.03416	1.1
81.07057	2.8
83.04984	0.5
84.04549	0.4
85.02888	2.2
85.06542	0.5
89.03894	3.2
91.05486	18.6
93.03413	3.5
93.07046	23.7
95.04972	1.3
95.08601	2.0
97.02895	43.0
98.03209	0.4
99.04457	0.6
103.05518	0.6
105.04530	0.5
105.06999	2.2
106.04186	0.3
106.09975	0.4
107.08596	17.3
109.02886	4.5
109.06535	1.5
109.10179	0.6
110.03696	0.4
111.04441	0.5
115.05434	0.4
117.03382	11.5
119.04946	7.2
119.08598	1.3
121.02863	1.4
121.06509	0.7
121.10160	1.0
123.04440	0.7
123.11771	0.4
125.02380	0.7
125.05994	0.8
127.03934	2.5
128.06255	0.5
129.07007	2.3
131.04955	0.5
133.06516	0.4
133.10136	0.7
134.03659	0.8
135.04428	0.7
135.11700	19.3
135.66666	0.3
137.05981	66.8
138.06346	0.8
139.03891	0.9
139.05426	0.6
141.07004	1.0
143.08548	0.4
145.02847	40.9
146.03212	0.4
147.04414	0.9
149.02359	4.6
149.05992	4.7
151.03908	1.5
151.07558	0.5
153.05475	0.5
157.06522	3.6
161.05998	0.5
163.03917	1.7
163.07594	0.5
164.04282	0.4
164.07129	0.4
165.05482	1.0
165.09108	0.5
166.05858	0.4
167.03412	26.4
167.04778	1.2
167.80951	0.3
169.05051	0.7
169.06516	1.3
174.06831	0.4
175.07600	0.7
177.05473	100.0
178.05772	1.0
179.07034	1.4
180.06541	0.6
181.04993	3.2
185.06015	1.1
186.05479	0.9
187.05943	0.7
187.07556	0.7
188.08308	1.0
189.05460	4.5
189.09122	4.1
191.03421	0.8
194.07936	0.4
199.07516	3.1
203.06998	0.7
205.07091	1.7
207.06546	2.2
213.05496	0.5
215.07042	1.2
217.08591	3.4
223.06012	4.2
227.07039	3.3
227.10451	0.4
229.08633	0.6
245.08128	4.9
265.07016	0.7
271.06058	2.7
272.06308	1.6
273.07526	3.4
283.16949	0.5
288.76654	0.4
291.08633	18.2
307.09756	0.4
309.09717	5.6
311.16281	1.0
339.10776	0.5
345.09521	1.4
387.10419	0.8
425.19415	0.4
443.20264	0.4
658.25531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82203	0.3
55.20358	0.3
56.11432	0.3
57.07077	6.5
58.06611	1.7
58.06831	0.4
61.02874	0.4
65.03938	0.8
67.05485	0.8
69.07040	0.3
69.91019	0.6
69.91411	0.7
70.06595	16.9
71.08632	2.3
72.08140	0.6
72.28735	0.3
84.08129	0.4
85.02905	0.8
85.10152	0.8
88.07635	19.8
95.08578	0.4
97.02868	0.4
102.09180	14.6
103.05438	0.3
105.03373	0.6
118.70052	0.3
119.08559	0.4
121.02781	0.4
131.04881	0.5
132.10214	0.5
135.11664	0.4
146.11784	0.4
147.04420	0.5
149.02348	34.9
175.03891	1.4
176.28819	0.4
177.05385	0.8
193.04967	43.7
194.05327	0.4
212.23740	0.8
219.06488	1.4
225.05568	0.6
226.60208	0.3
237.07568	10.2
256.26361	42.3
269.04468	2.0
294.31876	0.4
297.03903	2.0
300.29004	1.5
313.07001	2.3
335.25833	0.4
341.06516	9.7
343.08173	0.5
359.07596	6.9
359.95026	0.4
375.28128	0.3
385.09164	21.1
386.09348	0.5
403.10672	0.4
429.11832	24.8
430.12314	0.7
640.34991	1.1
658.35870	100.0
659.36230	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01868	3.1
55.05516	10.7
57.03437	3.4
57.07084	1.8
59.06125	1.3
59.78210	1.1
60.04519	2.0
65.03948	1.9
67.05509	33.0
69.03432	6.5
69.06719	2.3
69.07070	29.4
71.04989	3.8
71.58505	2.3
74.95582	1.3
75.07967	1.3
79.05056	2.3
79.05495	29.6
81.03421	5.3
81.07063	38.3
83.01374	1.3
83.04979	3.7
83.08627	8.6
85.02914	7.4
85.06561	2.4
89.06020	3.1
91.05486	33.2
93.07047	30.1
95.05007	7.1
95.08050	2.5
95.08610	31.2
97.02900	70.3
97.06537	5.6
97.10191	2.8
99.04487	3.0
103.08720	1.4
105.06380	2.5
105.07043	30.9
107.04945	2.9
107.08598	26.2
109.06510	5.9
109.10148	12.2
111.04469	2.3
111.08098	3.3
114.05547	2.0
115.05460	3.0
117.07025	15.5
117.25512	1.5
119.08594	25.6
121.06490	2.9
121.10158	13.5
123.04440	2.4
123.08073	7.4
123.11721	4.7
124.66253	1.3
125.05989	1.8
125.09626	1.9
127.03939	2.3
127.82137	1.4
128.06258	3.7
129.06999	9.1
130.07805	1.6
131.08588	20.9
133.06497	4.5
133.08615	1.7
133.10135	17.0
135.08066	4.9
135.11681	10.5
137.09647	3.7
139.07562	2.3
141.07039	4.1
142.07773	2.2
143.08585	10.8
145.06491	3.3
145.10132	16.8
147.08052	5.6
147.11710	13.1
149.09613	5.5
149.13281	5.3
151.07567	2.2
151.11287	1.4
153.09074	2.0
155.08586	6.2
157.06487	1.3
157.10153	8.7
159.08076	4.8
159.11707	14.6
161.09630	3.2
161.13277	6.3
163.11227	3.5
163.14738	1.3
165.09203	1.9
167.08510	1.5
169.10149	6.1
171.08080	3.0
171.11732	7.1
173.09633	4.7
173.13300	8.1
175.11200	3.5
175.14879	2.3
177.11197	1.4
177.12759	1.5
179.08650	1.5
181.10126	3.2
183.11694	5.3
185.09764	1.7
185.13228	5.9
187.11235	3.5
187.14778	3.2
189.12753	2.4
193.12277	1.6
195.11745	3.8
197.13257	3.7
199.11154	2.0
199.14731	2.6
201.12834	3.1
203.14366	2.3
209.13258	1.9
211.14859	2.1
213.12865	1.7
213.16458	2.2
223.14925	1.5
225.12730	1.8
227.14250	1.5
229.16254	1.5
241.16040	2.5
241.19542	2.8
243.21227	1.4
259.20630	6.1
261.22134	3.3
271.17035	1.4
271.20596	3.0
273.18738	1.6
273.22101	2.9
275.20169	2.8
275.23694	2.2
277.21536	7.8
285.22159	1.4
289.18262	1.5
289.21548	3.3
291.23242	2.0
301.21521	2.3
303.23257	8.3
307.97052	1.4
311.23615	2.6
313.21381	1.6
319.22641	1.9
327.22989	2.4
329.24823	5.8
339.23267	14.4
345.24158	2.4
357.24323	26.5
375.25327	100.0
393.26224	6.0
410.29193	2.7
425.30731	1.6
443.31662	3.9
461.32648	3.8
462.46600	1.4
537.30676	11.1
658.38635	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
55.05518	19.0
57.03439	12.4
57.07082	41.0
67.05509	62.6
69.03445	2.6
69.07072	19.6
71.04989	2.9
71.05441	2.3
71.05820	4.2
71.08635	28.0
79.05508	17.0
81.07059	53.3
83.04984	5.3
83.08636	18.2
85.06534	4.2
85.10190	15.1
89.06023	10.8
91.05499	19.4
93.07048	25.1
95.05009	4.1
95.08612	31.1
97.06511	5.4
97.10176	14.2
103.07616	2.4
105.07023	18.0
107.04934	4.1
107.08605	20.2
109.06530	4.8
109.10163	54.0
111.08096	3.6
117.07054	3.7
119.08595	16.4
121.06493	2.5
121.10155	10.9
123.11716	6.0
125.09631	9.1
129.07002	3.6
131.08572	8.6
131.64618	2.3
133.08647	7.1
133.10114	13.9
135.08078	6.1
135.11731	6.2
137.09596	3.2
139.40771	2.5
145.10130	8.3
147.11707	4.6
149.09636	3.2
149.13269	6.4
155.10707	2.4
157.10149	3.4
159.11691	7.2
173.11749	5.1
173.13179	4.8
177.12732	2.8
195.13864	2.9
227.12808	18.1
229.14375	46.2
229.33847	2.2
239.18031	2.4
239.23636	3.0
244.97093	2.3
257.18991	6.6
257.24686	4.1
269.17444	29.4
275.20078	32.8
293.21143	5.6
303.37082	2.2
308.57870	2.4
313.27396	100.0
349.23645	16.5
367.24759	10.0
409.33551	3.2
459.28094	3.0
467.37329	37.8
483.36963	2.5
491.40488	2.7
507.40601	45.0
587.46747	23.2
605.47675	18.2
658.42053	4.9
659.44330	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	659.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75513	0.8
56.96560	2.4
67.05502	1.6
69.07041	0.9
70.98126	1.2
71.04987	2.0
71.57938	1.0
72.65286	0.9
77.95026	0.8
77.97646	0.9
79.05470	1.2
79.18722	0.8
81.07043	2.5
85.02893	2.4
91.05462	2.7
93.07036	2.1
94.07382	0.9
95.08584	2.2
97.02921	0.9
98.97569	0.8
105.07024	2.0
107.08598	1.7
109.06505	1.1
109.10092	0.7
115.05453	1.4
117.07021	1.5
118.06544	3.7
119.08615	0.8
121.06482	6.3
121.10172	0.9
129.07004	1.1
131.08574	0.8
142.06528	1.1
144.08090	2.7
145.10078	1.3
146.06023	8.7
163.03952	2.7
164.07146	1.1
169.06737	0.8
173.09431	1.1
180.06590	1.2
188.07048	7.7
194.08081	1.7
204.03470	1.0
216.03365	1.9
222.07579	1.1
226.02699	3.0
229.03378	0.9
234.04520	2.0
236.02347	2.1
244.13342	1.0
246.04564	1.0
254.03380	1.9
254.10240	2.0
262.03818	2.7
286.14426	1.8
292.05865	1.4
304.27374	0.9
305.12744	5.7
350.06265	1.0
363.10971	1.6
393.11926	1.2
424.05988	1.1
435.13211	100.0
436.13547	1.3
437.10181	3.9
441.16733	1.5
455.11163	8.0
478.12778	2.0
479.12125	13.7
485.20734	1.4
523.16602	4.3
615.20917	2.7
628.70166	0.9
658.33582	1.0
659.19824	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	659.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14196	0.6
53.41870	0.7
55.05499	0.9
57.02323	0.7
61.61263	0.7
62.70063	0.7
67.05487	1.4
69.03407	0.9
69.07045	0.9
69.86932	1.3
69.87341	2.5
79.05461	0.9
81.07022	2.7
86.09678	0.8
90.83344	0.6
91.05491	4.3
93.07001	1.6
95.08620	0.8
95.77468	0.8
97.02918	3.1
97.06509	0.7
97.96770	0.7
98.20802	0.8
98.97555	1.1
103.05408	0.9
105.07012	1.5
107.08556	1.0
109.10114	1.3
115.05459	11.2
117.03376	0.9
117.05749	0.7
117.07003	1.3
118.06554	14.5
119.04918	2.2
120.04423	1.1
120.08100	1.1
121.06493	2.5
121.10163	0.8
123.11719	0.9
130.06516	4.8
133.02797	0.7
137.06013	4.0
142.06546	11.5
143.07346	3.2
144.04448	1.0
144.08102	12.8
145.02798	1.8
146.06024	32.9
147.04428	3.2
149.05954	0.7
149.13222	0.9
159.11775	0.9
162.05536	1.2
163.03883	1.7
164.07115	1.1
166.05052	0.8
166.06308	0.8
166.08519	0.9
169.07590	1.8
170.06004	3.5
177.05525	1.4
178.05034	4.3
180.06538	2.7
182.05797	8.4
187.07518	0.8
188.03471	3.4
188.07086	22.1
190.04840	0.8
194.08113	3.6
196.05977	0.9
201.16357	1.5
210.05270	16.0
219.01706	0.8
227.11772	2.1
228.34288	0.7
237.72078	0.9
244.10091	0.7
245.10748	5.9
246.11591	0.8
254.10306	8.1
261.07526	1.3
269.12854	2.4
271.05676	0.8
273.10172	3.2
276.08441	12.6
277.09558	1.0
285.12326	1.1
287.13925	2.5
290.10162	0.8
305.12860	48.7
306.13443	0.9
307.14233	0.8
313.11795	2.2
327.11087	2.4
331.12903	2.9
332.11377	5.7
334.09055	1.2
337.15546	7.1
338.08200	1.0
341.11304	1.7
347.13623	7.8
359.13467	0.9
377.15070	1.0
387.13257	4.2
419.15814	100.0
420.16171	1.6
437.16840	6.4
441.16486	2.1
443.35501	0.9
461.36520	0.8
463.14771	24.9
464.15356	0.9
501.20447	1.7
523.18549	4.4
567.22595	1.0
583.20343	1.9
609.23584	1.0
615.23126	4.4
627.24292	1.2
641.25818	1.1
659.22125	42.2
659.31891	1.6
671.02844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66285	0.5
53.03942	0.7
55.05508	0.8
65.03947	0.9
67.05515	1.1
67.34720	0.5
69.03410	0.8
69.07066	1.1
69.32577	0.5
70.06603	0.6
72.08156	1.1
79.05486	1.7
80.05000	0.6
81.03387	0.5
81.07068	2.5
83.04982	0.8
84.08110	0.7
85.02929	0.7
85.46350	0.5
89.03898	1.6
91.05496	3.6
93.07047	1.5
94.06555	3.5
95.04932	0.6
95.07349	1.2
95.08607	1.2
96.08149	3.6
97.02296	0.6
97.02904	8.7
97.06499	0.7
98.03249	1.2
103.05438	0.8
105.07021	0.7
106.06553	0.5
107.04906	0.6
107.08617	0.6
108.04509	0.6
108.08136	4.0
109.02837	0.6
109.10061	0.6
110.09094	0.6
110.09719	5.1
116.04968	2.7
117.03388	0.8
119.04990	0.9
120.04472	0.8
120.08118	4.1
121.06495	2.1
121.10120	0.7
122.06033	4.5
123.00775	1.1
124.07606	5.6
128.06288	0.5
129.06999	0.6
130.06554	0.5
131.04951	0.6
131.08531	1.0
132.04442	0.6
133.05240	0.7
133.06339	0.6
134.06032	1.4
135.04456	0.9
135.11684	0.7
136.07588	6.5
137.06026	3.3
138.09157	6.8
139.42319	0.5
141.06947	0.6
143.08607	0.7
143.85861	0.5
144.04445	6.4
144.08136	1.0
145.02892	3.4
145.10127	0.9
146.03204	1.3
146.06036	2.0
147.04413	2.5
148.07581	1.5
149.02359	1.1
149.05945	0.8
150.05452	0.9
151.03906	0.8
152.07083	1.0
153.12752	1.7
154.13158	0.7
157.10071	0.7
160.03931	2.4
160.07521	1.0
161.07114	0.8
162.05502	3.2
163.03923	1.8
163.23695	0.6
164.07076	1.3
165.05545	1.0
165.09148	1.0
166.08659	10.7
167.03406	4.8
167.07040	0.9
168.03741	1.5
169.10062	0.6
170.09628	4.3
172.03943	28.7
172.07703	0.9
172.09900	0.8
172.11259	1.1
173.04619	0.6
173.07164	0.6
175.08714	1.0
177.05504	6.0
178.04785	0.6
178.05978	1.1
180.06635	2.6
180.07936	0.7
181.04993	1.3
184.11252	1.0
187.07452	0.6
187.12325	5.3
188.03506	1.1
188.10632	0.7
190.04991	5.0
194.08170	0.6
198.09163	22.2
200.09241	2.5
200.10948	1.3
201.13901	0.6
204.06573	39.9
212.10840	4.5
214.08873	0.6
215.11803	19.8
222.07698	0.9
223.05930	1.0
225.10208	2.0
226.08682	7.1
227.08263	1.3
227.11807	2.6
228.08904	0.8
229.13458	0.9
231.11412	1.0
237.10289	0.9
239.11873	0.8
240.10211	2.3
241.09662	2.7
241.13327	1.8
242.10521	2.0
243.11310	100.0
244.11597	0.9
251.11786	0.7
253.09734	1.0
253.13452	0.6
255.11267	5.3
256.12106	1.3
257.12833	6.0
261.07602	0.6
265.09531	0.6
267.11346	1.1
269.12860	1.2
273.26334	0.5
279.11288	1.1
281.12772	0.7
283.10733	1.2
284.11508	1.3
285.12350	95.3
286.12717	1.2
287.05597	1.2
291.08569	2.0
292.08902	2.4
295.10718	0.8
297.12326	1.5
299.13956	0.8
301.11813	6.0
302.12619	0.7
303.13406	97.1
304.13766	1.1
310.10062	0.7
311.10254	0.9
313.11740	1.5
325.11862	8.2
327.08636	1.0
329.15897	0.6
339.09750	1.0
341.10568	1.6
343.13092	1.0
357.14493	4.8
358.15268	1.7
359.11304	1.3
359.15869	0.7
371.12540	1.5
418.17560	1.6
458.17288	0.7
462.16690	3.2
463.21341	1.4
470.17154	1.8
474.16638	3.5
476.18317	3.4
479.22269	2.3
488.17725	0.9
494.19452	1.0
506.18655	0.6
583.25342	2.2
585.23499	0.6
599.24658	2.4
609.23145	1.6
613.26904	1.2
623.24951	1.1
627.24738	5.4
641.16418	0.9
641.26196	12.5
659.26849	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	659.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
59.04988	1.0
60.18185	0.8
65.03940	4.4
67.05507	2.9
69.03440	0.8
69.50229	5.1
71.04992	4.6
73.06541	1.3
79.05478	0.9
81.07063	5.2
85.02925	1.8
89.03927	2.8
91.05479	1.7
93.03419	6.4
93.07050	4.2
95.04952	0.8
97.02896	100.0
107.08593	3.1
109.10164	0.9
111.04442	0.9
117.03384	14.0
119.04922	1.1
121.02875	2.4
121.06503	1.0
125.02353	1.6
128.06241	1.0
129.06995	4.6
135.11729	5.0
136.07619	0.9
137.05980	4.3
139.03900	1.0
139.05420	1.0
141.06996	2.1
142.20602	0.8
145.02853	43.5
149.02364	10.1
149.05986	4.5
151.03894	2.7
153.12762	25.4
157.06516	8.0
158.07210	0.7
165.05496	2.3
167.03419	60.8
167.04840	2.5
169.06516	2.0
172.03952	2.1
177.05479	94.7
185.06046	2.3
186.05482	1.5
187.07585	1.3
188.08330	2.1
189.05463	1.4
189.09131	8.0
190.99232	0.9
199.07518	5.8
204.06586	5.1
207.06563	1.4
213.05399	1.2
217.08640	8.3
227.07018	6.7
245.08104	12.1
273.07648	3.3
276.04053	0.7
291.08630	46.0
303.13275	0.9
309.09665	9.7
339.10834	1.7
357.14557	1.2
392.30109	0.8
404.16135	0.7
415.14841	1.3
474.16806	1.3
627.24341	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52808	1.0
55.01862	1.4
55.05495	1.2
57.07886	1.0
59.04987	1.4
65.03935	4.1
67.05499	4.6
68.05011	2.8
69.03427	2.2
69.07055	1.3
70.06593	2.2
70.61475	2.2
71.04990	5.2
72.45546	1.0
74.56483	1.1
79.05484	2.6
81.03421	2.1
81.07047	7.2
84.08105	1.6
85.02886	2.2
89.03925	2.9
91.05480	5.4
91.31043	1.1
93.03412	6.0
93.07037	4.8
95.04967	2.2
95.06041	1.4
95.08600	1.8
97.02895	97.4
102.05553	1.5
103.05467	1.4
107.08595	3.4
109.06555	1.4
109.10172	1.3
117.03385	10.4
119.04932	2.9
120.08164	1.7
121.02859	2.6
121.06506	3.6
123.04417	1.5
128.06288	1.3
129.07004	3.8
131.04994	2.3
135.04417	1.5
135.11717	6.6
137.06000	11.0
138.06378	1.7
141.07051	1.6
145.02853	42.1
147.04405	4.5
149.02348	7.4
149.05991	5.9
151.03877	15.2
153.01825	5.1
153.12749	22.6
156.82129	1.4
157.06477	7.3
163.03951	5.0
163.07498	1.6
164.04213	1.2
165.05501	8.2
166.05879	2.4
167.03415	58.0
167.04817	2.4
167.07088	1.7
169.06456	1.2
175.03931	1.6
177.05476	93.8
185.05989	3.1
187.07611	2.4
189.09045	7.3
199.07614	6.8
207.06551	3.3
215.07089	1.5
217.08592	6.8
227.07050	5.3
240.08665	1.6
243.40736	1.1
245.08131	10.7
273.07541	3.4
287.05515	100.0
288.05612	2.8
291.08649	49.1
309.09613	8.4
339.10809	2.0
385.84808	1.2
424.19748	1.5
539.36432	1.1
547.71643	1.3
612.63831	1.5
628.48083	1.4
641.14850	3.3
659.22589	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	659.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94366	0.8
53.03956	5.3
55.01871	4.3
55.05514	10.7
57.03438	24.2
57.07079	2.7
61.02929	80.2
62.54218	1.0
65.03937	2.9
67.05507	44.8
69.03076	1.9
69.03433	30.4
69.07068	11.0
70.06582	3.0
71.01346	4.5
71.04976	3.7
71.08640	1.1
71.59143	1.4
73.02918	30.2
75.04478	1.9
79.05495	32.5
81.02982	1.6
81.03423	26.6
81.07058	47.1
83.01363	1.2
83.04990	5.5
83.08626	5.2
85.02908	100.0
85.06524	2.4
87.04462	4.3
88.07626	2.0
91.03959	56.0
91.05480	19.0
93.07047	34.5
93.07630	2.2
95.04947	3.8
95.08611	37.6
97.02895	81.3
97.06555	2.4
97.10166	2.0
99.04467	13.0
99.08081	2.0
101.02393	8.5
102.09212	2.5
103.03954	12.5
103.05502	1.1
105.07034	15.3
107.04929	2.1
107.08591	19.3
109.02883	14.6
109.06509	3.4
109.10154	18.9
111.04435	3.6
111.08089	2.1
115.03954	5.0
117.05513	2.7
117.07011	6.7
119.08581	11.8
121.10139	18.0
123.08078	1.4
123.11697	8.8
127.03919	35.2
129.05502	5.7
129.06987	1.8
131.08577	9.3
133.10133	10.6
135.11703	10.7
137.05946	1.1
137.09619	2.7
137.13280	1.8
143.08545	1.9
145.04968	24.1
145.10121	8.6
147.08060	1.5
147.11671	7.0
149.02364	4.3
149.13292	7.7
150.02718	1.3
151.11217	1.2
155.07082	1.3
157.10130	2.3
159.06552	3.9
159.11691	8.0
161.13260	6.6
163.06088	6.0
163.14867	5.1
169.10153	1.0
171.06566	3.6
171.11694	2.7
173.13295	7.6
175.14847	3.0
177.16339	1.6
183.06532	13.4
185.13223	2.4
187.14812	4.8
191.14302	1.8
193.04901	5.5
194.05276	2.5
197.13301	1.5
199.14940	1.2
201.07605	8.2
201.16504	1.8
233.22675	1.9
237.07692	1.5
239.14357	1.3
241.19540	1.1
243.21075	5.2
256.26376	4.0
257.26733	4.4
259.20505	2.2
261.22150	21.0
277.21628	1.3
279.23309	1.9
284.40097	1.0
303.23199	3.0
305.24805	1.1
315.23276	1.7
317.24762	2.5
323.23431	1.2
327.23376	2.4
333.24231	2.1
335.25809	92.1
341.24863	1.4
345.24298	2.1
358.16293	1.1
359.25931	1.2
363.25381	3.5
369.24213	3.7
377.26852	4.2
385.09198	1.1
387.25449	1.5
405.26572	1.8
430.11932	2.8
443.28009	3.0
461.28735	4.2
479.30249	9.0
490.56580	1.2
497.31302	4.8
572.14172	1.2
659.25787	1.7
659.36261	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29250	1.1
53.03942	5.9
55.01863	4.8
55.05514	10.2
57.03442	20.1
57.51139	1.1
61.02932	79.2
64.26151	1.2
65.03932	1.8
67.05507	39.5
69.03078	2.3
69.03434	32.7
69.03806	1.7
69.07073	9.3
71.01353	3.5
71.05004	6.0
71.08277	2.0
71.08631	2.5
73.02549	2.1
73.02921	25.2
75.04522	1.4
79.05496	29.0
81.02990	1.8
81.03427	24.4
81.07061	41.2
83.01326	1.3
83.04980	6.2
83.08620	6.7
85.02911	100.0
87.04482	3.0
91.03398	2.8
91.03962	55.9
91.05492	15.8
91.69284	1.2
93.07055	30.5
95.04974	4.2
95.08047	2.1
95.08614	29.3
97.02898	77.7
97.06517	2.8
97.10154	3.1
99.04469	12.0
101.02386	7.7
103.03957	8.3
105.07036	11.7
107.04974	1.8
107.08598	15.4
109.02873	10.9
109.06535	2.8
109.10149	15.4
111.04436	3.6
115.03925	6.6
117.05496	1.6
117.07024	7.1
119.08597	11.6
121.06557	2.3
121.10150	13.6
123.08026	1.6
123.11716	5.5
127.03926	41.8
129.05490	6.4
129.07031	2.4
131.08582	10.4
133.10155	11.1
135.11711	12.9
137.13237	2.2
143.08618	3.4
145.03926	1.1
145.04970	29.1
145.10104	9.0
147.11688	7.0
149.09637	1.8
149.13286	6.0
151.11195	1.7
157.10133	1.8
159.06592	3.4
159.11696	7.0
161.13266	5.4
163.06056	6.8
163.11209	1.4
163.14824	3.4
165.12804	1.8
171.06480	1.6
171.11636	2.2
173.13237	6.7
175.11224	1.4
177.12747	1.5
183.06535	6.7
183.11751	1.3
185.13309	3.3
187.14838	4.0
193.05157	1.5
201.07619	5.1
243.21088	5.3
259.20554	2.7
261.22122	17.0
275.19891	1.4
277.21594	1.7
303.23331	2.7
335.25821	73.2
351.23230	1.8
363.25516	2.1
369.24188	3.7
405.26230	2.3
443.27917	4.5
461.29001	3.4
479.30014	11.0
497.30777	2.3
659.35455	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	659.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60861	0.3
67.05494	0.3
81.07072	0.3
93.07060	0.4
95.08605	0.4
97.83968	0.2
100.96711	0.2
107.08619	0.4
119.08591	0.3
121.10160	0.3
143.04753	0.4
147.11787	0.3
154.81763	0.2
169.49359	0.3
194.74503	0.3
200.79515	0.3
205.04736	3.7
239.02397	0.4
403.70465	0.3
477.33932	0.5
659.39258	100.0
660.39862	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	660.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59859	0.2
53.03931	0.8
53.85389	0.2
55.01867	0.6
55.05502	0.4
57.03445	2.5
57.64528	0.2
60.30841	0.2
61.02929	0.3
65.03922	0.4
69.03431	2.5
69.39270	0.5
69.39671	1.4
70.06591	1.1
71.04997	14.2
72.08151	0.3
73.02908	1.0
75.04474	0.6
77.03950	0.2
79.05494	0.7
81.03417	2.4
81.07050	0.4
83.04966	1.2
84.08154	0.5
85.02910	18.8
86.09747	0.2
87.04494	1.3
89.03930	2.1
91.05486	1.8
93.03439	0.4
93.07066	0.4
95.04983	0.3
97.02902	2.5
97.87434	0.3
99.04449	0.9
103.03941	0.4
105.07034	0.4
107.04959	1.8
109.02892	2.5
111.04463	2.0
115.03957	0.4
115.05434	0.5
117.03396	3.9
119.04938	1.6
121.10178	0.5
123.04430	5.7
127.03939	3.4
129.05487	4.3
131.04916	0.3
133.06480	0.7
135.04430	10.8
137.02353	0.4
137.05988	8.6
139.03914	5.0
143.04904	0.4
145.02858	8.5
145.04895	1.4
145.06055	0.2
145.06458	0.2
147.04414	1.4
147.06526	1.7
149.05965	0.9
151.07578	0.5
153.05479	2.8
161.05977	1.2
163.03914	100.0
164.04262	1.0
164.09241	0.9
165.05481	6.4
173.05960	0.4
175.03845	0.3
175.07553	0.4
177.05484	2.0
179.07077	0.8
181.04988	5.8
187.06024	1.1
187.07501	0.2
189.05490	5.9
191.07001	0.5
199.05995	0.5
203.07053	0.5
205.04820	0.7
205.06999	0.6
207.06537	4.6
211.07571	0.8
217.08688	0.6
219.06549	0.7
221.08092	0.6
223.05992	1.2
225.07578	0.3
227.07089	0.4
233.08008	0.3
237.07695	0.3
239.07071	0.7
242.05869	0.7
245.08076	2.0
255.06456	0.5
257.08109	2.5
263.09122	2.2
263.77789	0.2
265.07111	0.3
273.07419	0.3
275.09155	1.9
279.08630	0.4
281.10254	0.5
283.08105	1.0
289.07080	1.0
291.08475	0.6
297.09790	0.7
299.09143	4.7
307.08185	1.9
309.09750	1.1
315.08478	0.3
317.10233	8.7
325.09192	17.0
327.08450	0.3
333.09415	0.3
343.10272	0.7
351.10941	0.3
365.10449	0.4
369.11951	0.3
407.11682	0.3
417.11200	0.4
425.12518	1.0
435.12784	0.6
443.13501	1.9
461.14514	1.7
471.14877	0.6
479.15616	0.5
600.17188	0.6
651.76086	0.3
660.18799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01878	0.5
57.03444	3.0
61.02926	0.8
62.55390	0.4
69.03432	3.6
70.06593	0.9
70.13011	0.4
71.05000	11.3
71.56635	0.9
73.02915	0.5
76.58395	0.5
81.03394	1.5
83.04980	1.0
84.08115	0.7
85.02911	16.4
89.03905	2.2
91.05471	1.6
93.03372	0.8
93.07060	1.2
95.08601	0.6
96.59655	0.5
97.02905	5.7
98.21170	0.5
98.97590	1.0
99.04446	1.3
100.67693	0.5
103.05495	1.0
105.07072	0.6
107.04942	1.3
107.08578	0.4
111.04432	2.1
114.10309	0.8
115.03900	0.6
116.98603	0.5
117.03380	3.6
119.04960	0.9
121.06521	4.5
123.04432	2.0
125.74381	0.5
127.03907	2.5
129.05495	5.4
129.95338	0.5
133.10127	0.8
135.04433	8.6
137.05995	2.4
139.03906	5.8
145.02858	7.0
145.04909	1.4
146.08148	0.7
147.04350	0.5
147.06535	1.9
149.05914	0.6
151.11159	1.1
153.05505	1.3
163.03915	100.0
164.04204	1.2
164.09213	1.1
164.11398	0.4
165.05466	2.1
169.12286	0.7
177.05475	1.0
181.04977	2.8
187.13307	1.4
189.05521	0.9
202.08397	0.6
204.10248	1.4
205.05005	0.6
207.13837	0.9
241.07597	0.6
245.08040	0.8
248.09196	0.6
273.07733	0.6
273.76102	0.5
283.08115	2.8
297.09814	1.0
299.51282	0.5
307.08023	1.3
309.09726	2.1
317.10123	0.9
325.09189	30.2
346.06967	1.2
367.09726	0.5
399.37604	0.7
403.12857	1.0
453.13373	0.6
471.14685	0.8
491.02841	0.6
498.15277	4.3
660.26196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01878	0.5
57.03444	3.0
61.02926	0.8
62.55390	0.4
69.03432	3.6
70.06593	0.9
70.13011	0.4
71.05000	11.3
71.56635	0.9
73.02915	0.5
76.58395	0.5
81.03394	1.5
83.04980	1.0
84.08115	0.7
85.02911	16.4
89.03905	2.2
91.05471	1.6
93.03372	0.8
93.07060	1.2
95.08601	0.6
96.59655	0.5
97.02905	5.7
98.21170	0.5
98.97590	1.0
99.04446	1.3
100.67693	0.5
103.05495	1.0
105.07072	0.6
107.04942	1.3
107.08578	0.4
111.04432	2.1
114.10309	0.8
115.03900	0.6
116.98603	0.5
117.03380	3.6
119.04960	0.9
121.06521	4.5
123.04432	2.0
125.74381	0.5
127.03907	2.5
129.05495	5.4
129.95338	0.5
133.10127	0.8
135.04433	8.6
137.05995	2.4
139.03906	5.8
145.02858	7.0
145.04909	1.4
146.08148	0.7
147.04350	0.5
147.06535	1.9
149.05914	0.6
151.11159	1.1
153.05505	1.3
163.03915	100.0
164.04204	1.2
164.09213	1.1
164.11398	0.4
165.05466	2.1
169.12286	0.7
177.05475	1.0
181.04977	2.8
187.13307	1.4
189.05521	0.9
202.08397	0.6
204.10248	1.4
205.05005	0.6
207.13837	0.9
241.07597	0.6
245.08040	0.8
248.09196	0.6
273.07733	0.6
273.76102	0.5
283.08115	2.8
297.09814	1.0
299.51282	0.5
307.08023	1.3
309.09726	2.1
317.10123	0.9
325.09189	30.2
346.06967	1.2
367.09726	0.5
399.37604	0.7
403.12857	1.0
453.13373	0.6
471.14685	0.8
491.02841	0.6
498.15277	4.3
660.26196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84593	0.3
67.05508	0.3
68.05018	0.5
69.03432	0.3
69.07072	1.1
70.06595	100.0
71.05038	0.4
71.08839	0.6
74.59534	0.3
79.05503	0.6
81.03422	1.2
81.07074	0.5
84.04477	0.4
84.08144	0.9
85.02915	1.5
86.09715	1.9
91.05460	0.7
93.07033	0.8
93.61692	0.3
94.06583	0.7
95.01343	0.3
95.07325	0.3
96.08149	0.8
97.02908	1.6
102.05524	0.3
103.05457	0.3
108.04475	0.5
108.08128	1.1
109.02884	3.9
110.09695	0.8
112.07611	84.2
113.07928	0.5
114.05537	0.7
116.07121	1.9
118.06573	0.8
119.04934	0.4
120.04507	0.4
120.08115	0.7
121.06509	1.8
122.06018	0.7
124.07612	1.0
127.03958	0.4
130.05014	1.2
131.04977	0.4
134.06041	0.5
136.07576	1.0
137.05968	2.9
138.09151	1.3
138.66624	0.3
140.07072	52.6
140.93767	0.3
142.05003	1.1
144.04460	0.6
145.02858	0.5
146.06055	0.8
148.07549	0.6
151.03923	0.4
158.08130	8.7
162.05507	0.7
163.03926	0.6
163.05879	0.3
163.11050	0.3
164.07091	0.4
166.08659	1.5
167.09030	0.7
172.03987	3.1
173.04315	1.1
175.07559	0.8
176.07123	0.5
177.05516	1.1
179.07040	0.3
180.06590	0.7
187.07474	0.4
190.04971	1.7
191.05342	0.7
194.08151	0.7
197.12842	0.3
198.11282	2.8
200.09210	0.3
204.06563	4.8
205.06934	1.7
206.07971	0.3
212.09270	0.9
213.10292	0.6
214.10579	0.7
224.09268	0.6
228.12088	0.3
230.10260	1.2
236.09149	0.5
237.10175	0.4
241.09822	0.6
242.10196	0.6
243.11256	1.1
243.13347	1.5
244.11615	0.6
255.11414	0.4
264.08881	0.5
265.09586	0.5
266.10211	3.2
271.10574	0.3
273.12415	0.5
279.10565	0.3
280.08118	0.4
283.10791	0.5
284.11285	9.7
285.12396	1.7
286.12585	0.6
288.10602	0.4
297.12155	0.8
298.12643	0.5
299.14014	0.5
302.12231	2.4
303.13379	2.1
304.13672	2.1
323.13150	0.5
324.10452	0.6
325.11887	2.6
326.12247	2.5
343.12842	0.5
344.13678	0.6
345.14511	0.5
346.15414	0.5
357.14389	0.8
358.14996	0.8
359.15939	0.7
371.12155	0.4
372.12967	0.5
373.13892	0.4
386.14621	1.0
387.15430	1.5
388.16156	0.4
395.17715	0.4
402.13998	0.5
404.15808	0.7
405.16232	0.9
414.14529	0.5
415.15143	2.4
416.15530	2.2
418.15088	1.4
419.17902	0.4
421.15326	0.4
432.15674	0.5
433.15778	1.6
447.17563	0.6
456.15695	0.4
457.15970	0.6
462.16803	0.4
463.16858	1.3
464.23804	0.9
474.16782	1.5
475.16946	4.2
507.19873	1.5
522.21411	0.3
584.25836	0.4
586.23615	1.3
597.69104	0.3
600.25055	0.8
610.24054	1.4
627.24408	0.5
628.24847	14.3
660.27612	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	660.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	8.3
58.06605	13.9
59.05005	0.7
61.71598	0.6
67.05515	0.9
68.05029	3.5
69.96073	0.5
70.06596	100.0
71.57117	0.8
72.08157	2.4
73.02937	0.6
82.06600	2.7
84.08147	37.0
84.40110	0.6
85.02905	1.4
85.06559	0.9
86.06077	7.6
91.05473	3.0
91.79598	0.6
93.07038	3.3
94.06594	2.1
96.04518	0.7
96.08137	16.1
97.07667	1.7
98.06050	1.0
98.09699	21.2
100.07615	1.5
102.09221	0.6
103.05482	2.2
110.94257	0.6
111.74410	0.7
112.07625	4.4
113.07155	1.0
114.05536	27.6
114.09200	1.1
115.12344	4.2
121.06515	19.5
124.07629	1.1
125.07142	1.6
125.10774	3.9
127.08706	1.3
127.12344	2.2
128.07072	6.4
133.10159	1.0
137.05946	0.9
140.06992	0.6
141.10268	2.5
142.08643	20.1
144.04440	0.7
146.06033	2.0
153.10278	0.7
161.06001	0.6
163.03896	0.9
169.09709	4.7
171.11293	3.2
171.14954	1.6
176.07147	1.7
178.08640	6.2
186.07645	8.3
186.09158	1.0
187.13345	1.6
192.10158	0.9
197.12875	13.9
199.14464	0.9
204.06650	1.6
210.11406	0.7
215.14034	1.1
218.08118	0.8
222.07623	5.9
225.12453	1.8
236.09200	0.9
243.13423	38.6
247.10617	0.7
275.17715	1.0
279.13446	2.7
319.16568	1.4
374.16037	2.0
375.98114	0.7
392.18149	1.4
427.22217	0.9
431.21912	4.7
439.22281	1.2
443.22244	0.7
464.20383	6.5
468.25031	1.8
471.25305	0.6
478.21951	1.4
512.23627	4.0
544.26563	28.9
556.26831	0.6
584.26062	5.5
588.29260	9.4
616.28674	73.7
617.29218	2.0
670.53992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51887	0.4
53.03930	0.4
55.01875	2.2
56.05051	2.0
57.03434	0.5
65.03936	0.5
67.05495	0.8
68.77782	0.4
69.03434	0.5
69.06726	0.5
69.07075	6.7
70.06581	1.1
71.58597	0.5
72.08138	0.6
81.07059	0.8
82.06630	0.5
83.06103	1.7
84.04511	34.4
84.08146	2.0
85.02911	5.4
86.09712	8.2
91.05502	5.6
92.05799	0.5
93.03447	0.4
93.07073	2.1
94.07370	0.6
95.01318	0.8
95.04969	0.5
95.08592	0.6
96.08133	0.9
97.02897	8.0
97.06547	10.2
98.03234	0.6
98.09692	0.5
101.07138	4.1
102.05532	1.5
103.05470	0.4
107.08582	1.3
108.08895	0.5
109.02890	0.5
109.10155	0.8
110.09695	1.1
112.03983	0.7
112.11257	0.9
114.05540	1.8
114.09174	1.4
117.03394	1.9
119.04964	2.2
119.08607	0.5
120.04475	0.7
120.08113	0.5
121.02774	0.5
121.06506	1.4
121.10212	0.4
124.07589	0.6
127.03873	0.6
128.03488	0.4
129.06633	0.5
130.05011	29.2
132.10220	0.6
135.11731	1.0
136.12022	0.5
137.05997	8.6
138.06328	1.2
138.09158	1.4
139.06485	0.4
140.10658	0.9
142.04990	5.3
144.10210	0.6
145.02875	4.6
146.03201	0.7
147.07674	2.7
148.03914	0.7
149.02393	0.6
149.05978	0.5
151.06310	0.6
152.07066	1.5
152.10721	1.5
158.11729	0.5
162.05467	0.5
163.03967	0.8
164.07077	1.8
164.10587	0.4
166.04982	2.6
166.08675	2.3
167.03404	3.6
167.07097	0.8
172.03915	1.1
175.07603	0.9
175.49763	0.4
176.06995	0.4
177.05489	9.2
178.05849	2.5
179.06001	0.5
180.06567	40.7
180.10104	1.2
181.05017	0.7
181.06741	0.5
184.06044	0.7
188.06453	0.4
190.04990	1.2
194.08182	0.6
197.12843	1.4
198.09438	0.8
198.11278	13.1
204.06624	1.2
208.06166	1.2
220.06055	0.6
222.07631	13.0
226.10825	1.3
227.06949	0.6
237.10220	0.7
243.13422	8.0
256.64413	0.5
276.12320	0.9
291.08630	3.0
292.09058	0.6
293.09238	0.8
294.13461	1.4
305.11813	0.6
305.14780	2.2
309.09763	0.5
318.13199	0.4
319.16629	1.5
325.11765	0.7
336.14410	0.8
344.11328	0.7
347.16119	1.1
361.17825	1.9
376.18555	0.6
405.16354	2.0
418.19891	0.6
422.19266	8.1
444.16345	0.5
447.17679	2.0
450.18774	1.2
464.20319	100.0
465.20654	2.0
480.19781	2.5
506.19461	3.6
538.21661	0.9
586.23853	10.1
599.19336	0.6
600.25525	0.8
628.24347	0.6
660.27551	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
55.05504	0.5
56.05020	1.4
64.55300	0.3
65.03904	0.3
67.05499	0.6
69.06738	0.5
69.07075	7.0
69.59763	1.8
70.06590	0.8
72.08147	0.6
79.05481	0.8
81.07047	0.9
82.02919	0.3
82.81816	0.3
83.04948	0.3
83.06091	1.3
84.04510	30.7
84.08134	1.8
85.02905	6.8
86.06090	0.3
86.09707	8.8
89.03895	0.4
91.05484	3.5
93.07044	2.0
95.01325	0.9
95.08618	0.4
96.08130	0.4
97.02877	3.4
97.06538	8.2
98.06030	0.3
98.09688	0.5
101.07141	3.8
102.05559	1.5
105.07029	0.5
107.08596	1.6
108.08897	0.5
109.06504	0.3
110.06043	0.4
110.09689	0.5
112.03973	1.5
114.05560	2.0
114.09146	1.2
116.10718	0.3
117.03367	0.9
118.03613	0.3
119.04945	1.7
121.06503	1.1
124.07545	0.4
127.03940	0.5
129.06638	1.1
130.05011	28.9
131.04924	0.4
132.10246	0.6
135.11732	0.8
136.07549	0.3
137.05986	6.4
138.05473	0.5
138.09148	0.7
140.10678	0.6
142.04999	7.2
144.10229	0.6
145.02832	3.3
146.03214	0.8
147.04407	0.4
147.07637	2.9
148.03899	0.6
149.02249	0.4
149.05977	0.4
151.06371	0.7
152.07068	1.3
152.10695	1.9
156.06537	0.4
163.03836	0.5
164.07069	1.3
164.10635	0.4
166.04996	3.3
166.08630	0.4
167.03458	1.9
167.07103	0.5
169.03873	0.3
172.04016	0.4
175.07520	0.4
177.05479	6.5
178.05864	2.2
178.08612	0.5
179.05984	0.8
180.06567	39.5
181.04976	0.3
181.07057	0.3
184.06050	0.6
192.06592	0.3
193.08687	0.5
194.08104	0.7
197.11111	0.4
197.12845	2.5
198.11266	19.5
204.06630	0.5
206.08078	0.4
208.06145	0.9
220.06067	1.1
222.07628	11.7
226.10782	1.6
243.13409	11.0
253.09755	0.3
262.07043	0.5
263.10327	0.5
276.12201	0.6
291.08649	0.8
293.09113	0.6
294.13312	0.9
302.10397	0.3
305.11661	0.5
305.14987	1.9
309.09299	0.4
318.13354	0.4
319.16534	1.1
332.43628	0.3
336.14267	0.8
344.11404	0.5
347.16223	1.2
361.17654	0.7
376.18887	0.4
405.16473	1.7
406.19669	0.4
408.17676	0.4
418.19696	0.5
418.97125	0.3
422.19229	7.8
422.24872	0.4
447.17505	1.4
450.19025	1.6
464.20297	100.0
465.20755	2.0
480.19794	3.6
498.24841	0.6
506.19641	0.5
538.21539	0.4
586.23969	10.4
586.33575	0.5
600.25409	0.7
618.26202	0.5
628.24084	0.5
660.27136	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01871	1.3
55.05519	3.9
57.03444	5.7
57.07079	2.0
61.02921	1.2
65.03936	1.1
67.05509	31.9
69.07079	11.2
71.04991	2.9
71.57041	1.2
71.57406	0.8
73.02915	1.8
75.11797	0.8
79.05051	1.3
79.05499	17.7
81.03409	1.2
81.07062	39.7
83.04967	4.2
83.08636	7.8
85.02905	2.0
85.06556	2.3
86.09719	1.3
91.03937	1.0
91.05487	9.4
93.07056	29.8
95.04952	4.3
95.08609	11.2
97.02885	0.9
97.06538	5.1
97.10201	1.1
99.04471	0.9
99.08098	1.9
100.65012	0.8
105.07027	4.1
107.08607	17.1
109.06555	1.4
109.10164	2.5
111.08116	4.3
111.11697	0.9
113.06017	1.0
117.07031	4.7
119.04953	1.0
119.08584	1.5
121.06517	3.6
121.10146	12.1
122.37672	0.8
123.11729	1.7
131.08566	6.1
133.10136	4.3
135.08025	1.2
135.11705	3.3
147.11685	1.1
149.13277	20.3
151.11255	1.0
159.11700	8.4
165.31882	0.9
177.12782	4.5
184.07378	2.6
195.13824	6.9
213.14902	0.8
269.17502	52.6
306.20117	0.8
431.19525	0.9
463.30597	100.0
464.30908	1.7
524.28906	0.8
525.46509	0.8
569.73877	0.9
587.48834	1.1
590.68396	0.8
660.38617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22969	0.2
50.61949	0.2
52.03099	0.3
54.20034	0.2
55.01879	1.7
55.05504	0.3
56.05025	1.1
57.03434	0.5
65.03931	0.5
67.05497	0.8
67.58599	0.3
69.03426	0.5
69.07072	7.2
70.06590	0.4
71.04973	0.3
71.58350	0.5
79.05504	0.5
81.03396	0.4
81.07048	1.0
82.02928	0.6
83.04980	0.5
84.04509	17.4
84.08129	1.1
85.02435	0.5
85.02913	6.5
86.09710	5.1
89.03911	1.1
91.05479	3.0
92.05000	0.3
93.07015	1.0
94.06551	0.5
95.08604	0.6
96.08096	0.5
97.02902	3.3
97.06537	3.1
102.04940	0.4
102.05551	6.3
103.05441	0.3
105.06992	0.7
107.04918	0.3
107.07330	0.3
107.08604	1.4
108.08129	0.6
109.06486	0.6
109.10159	0.8
110.09671	0.8
112.04018	0.4
114.05526	1.1
117.03386	3.0
119.04926	1.8
119.08573	0.6
120.04430	0.7
120.08099	1.1
121.05271	0.3
121.06494	0.7
121.10135	2.5
122.06034	0.3
122.07278	0.4
123.11687	0.3
124.07582	0.4
125.09610	0.3
130.05013	11.5
133.10086	0.5
133.47008	0.2
135.08061	0.5
136.07573	0.8
137.05983	4.2
137.09615	1.8
138.05475	0.4
138.09122	1.2
139.20709	0.3
142.04999	3.5
145.02855	6.9
146.05975	0.3
147.04424	0.8
147.11647	0.3
148.03926	1.2
148.06049	4.1
149.05974	0.9
149.09581	0.7
149.13269	1.1
151.06242	0.9
151.11179	1.7
152.07048	2.4
152.10710	0.7
156.06522	0.5
162.05516	0.4
163.14818	0.4
164.07079	1.4
165.05470	0.5
166.04997	4.8
166.08620	1.8
167.03360	0.7
172.03929	1.2
173.13193	0.3
176.07011	0.4
177.05492	12.3
177.07065	0.6
178.05830	1.0
178.08646	0.7
178.25496	0.3
180.06564	70.0
181.06923	0.8
184.06009	0.3
190.04993	1.3
191.14331	2.0
194.08118	1.1
198.11258	4.6
204.06587	1.1
208.06021	1.3
208.43280	0.3
209.15436	1.5
220.06044	0.4
222.07629	19.9
238.10869	0.4
242.88614	0.3
244.11850	0.4
253.09729	0.4
259.17520	0.3
265.09729	0.6
285.12241	0.3
291.08557	2.2
293.09116	0.4
297.12332	0.5
302.10269	0.8
306.11478	0.3
313.11771	0.7
325.11868	0.5
335.10120	0.3
341.11435	0.7
344.11218	0.6
373.13593	0.4
377.17197	1.8
407.18143	0.6
409.15936	0.8
419.18301	1.4
423.17624	14.3
437.19354	0.4
451.16876	1.5
464.20255	1.2
465.18723	100.0
466.18896	1.5
478.20032	0.6
481.20374	0.5
506.19217	3.1
538.21820	1.0
587.22394	9.9
588.23132	0.3
611.24701	1.2
619.24500	0.6
629.25848	0.5
661.27826	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	661.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
53.41542	0.6
54.69173	0.6
70.06591	1.0
71.04990	1.2
71.55950	0.6
71.56353	0.9
75.93259	0.6
79.05486	2.3
80.05018	0.9
81.05804	1.3
82.06583	1.6
84.29160	0.7
85.02928	1.5
89.03919	0.8
91.05484	3.1
93.07047	4.7
94.06574	8.1
95.04939	0.8
95.07369	3.6
96.08138	12.5
97.06548	1.5
103.05468	0.8
106.06535	1.1
108.08114	10.0
110.09691	23.8
116.04990	2.3
120.04466	5.2
120.08119	14.2
121.06543	4.0
122.05994	3.3
123.89021	0.7
124.07590	7.0
134.06038	1.5
136.07574	9.0
138.05479	3.3
138.09146	33.0
144.04486	3.6
146.05992	3.9
148.03871	1.2
148.07541	3.8
150.09152	0.9
152.07135	1.5
157.10208	0.7
160.03943	2.0
162.05540	2.8
163.03937	1.8
164.07074	2.4
166.05038	3.7
166.08649	57.2
172.02505	1.5
172.03960	24.5
174.05411	0.9
178.05046	1.1
178.08606	0.7
190.04997	12.4
197.10822	1.2
204.06546	12.6
209.10669	2.5
211.08681	0.8
212.09464	2.3
213.10239	0.9
216.06546	1.3
218.04517	0.7
222.11656	0.9
224.09483	1.6
225.10217	4.1
226.10934	0.9
227.11821	2.6
234.09305	0.8
236.09438	2.2
237.10257	8.5
238.10976	1.4
239.08250	2.0
239.11743	3.3
241.07524	0.7
241.09773	2.4
245.12837	1.2
247.14444	3.4
249.10271	1.7
250.07437	0.8
250.11096	0.8
251.08124	2.6
251.11775	5.9
252.09012	2.1
252.12587	1.2
253.09755	6.4
253.13402	1.2
254.10588	0.8
255.11351	1.7
259.38663	0.7
263.11868	1.4
264.08978	1.3
265.09738	13.7
266.10464	2.5
267.11368	3.2
268.08572	0.9
269.12839	2.7
271.10822	3.3
273.12296	5.5
277.09750	0.9
278.06577	3.8
279.11267	9.3
279.14047	1.1
280.08603	1.4
280.12024	0.6
281.09283	2.2
281.12875	2.6
283.10873	4.7
285.12384	2.0
286.06815	0.7
287.13980	1.9
288.08600	1.1
289.09659	0.8
291.11273	1.2
292.08218	2.0
293.09204	15.8
294.10034	3.3
295.10773	2.2
296.11563	1.3
297.12344	6.9
299.10406	2.3
299.13690	1.0
300.11099	2.1
307.10779	3.7
309.12256	4.5
310.13055	1.1
311.10321	1.6
312.11179	4.0
313.11798	4.3
323.10400	0.9
325.11859	19.6
326.12265	0.9
327.13416	1.3
328.13998	1.0
335.10193	6.8
340.10437	2.5
341.11343	14.6
343.13019	1.8
353.11325	11.8
356.14102	0.9
357.14468	4.1
373.13962	10.4
385.13837	4.6
398.15067	1.3
399.15729	1.5
416.15833	1.1
428.16074	0.9
434.20834	1.2
437.19601	1.3
438.20224	1.1
446.16891	1.2
458.17050	2.9
460.18863	2.5
462.20370	2.2
465.18951	7.6
471.68292	0.8
478.19785	4.7
488.18286	6.3
506.19266	100.0
507.19809	3.2
510.22226	1.3
520.20648	1.6
521.21362	2.0
538.21924	20.8
538.30188	1.1
559.90875	0.7
611.25189	9.3
661.33801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.9
55.01861	4.1
55.05515	13.9
57.03159	1.5
57.03437	22.2
57.07074	4.9
59.05005	1.5
61.02927	79.0
65.03953	1.8
67.05507	44.0
69.03431	31.6
69.07070	15.8
70.63013	2.9
71.01344	3.8
71.05001	5.7
71.08634	1.9
73.02919	27.6
75.04470	1.6
79.05495	15.5
80.57917	1.0
81.03423	23.7
81.07058	49.2
83.04978	5.4
83.08620	11.3
85.02907	100.0
85.06487	1.6
87.04465	4.4
91.03956	56.9
91.05469	10.8
93.07053	15.7
95.04964	2.8
95.08607	35.1
96.50829	1.0
97.02895	76.1
97.06517	3.8
97.10179	7.1
98.21465	1.2
99.04459	13.9
99.08064	1.8
101.02391	7.2
103.03951	12.3
105.07034	8.7
107.04882	1.2
107.08595	11.8
109.02879	14.7
109.06528	1.8
109.10153	16.8
111.04464	2.7
111.08089	2.0
111.11717	2.1
113.09753	1.2
115.03940	6.7
117.05496	2.4
117.76323	1.1
119.08574	8.8
121.06502	1.1
121.10136	11.8
123.04432	1.5
123.08083	1.3
123.11723	9.3
125.05973	3.2
125.09622	1.7
127.03920	40.0
127.11218	1.5
129.05490	6.8
129.06956	1.0
131.08548	3.2
133.10127	9.2
135.11697	6.8
137.05966	2.1
137.09619	1.6
137.13243	3.6
143.08487	1.2
145.04956	22.4
145.06013	1.8
145.10048	1.4
146.42354	1.0
147.06519	1.2
147.11746	5.5
149.13268	4.9
151.11180	1.3
151.14841	2.1
153.12737	1.1
155.07141	1.6
157.10089	1.2
159.06572	3.2
161.13292	4.7
163.06023	7.1
163.11179	3.2
163.14828	4.3
165.12750	2.1
165.16368	1.7
171.06560	2.3
173.13280	2.0
175.05061	1.1
175.14842	4.7
177.16389	1.2
179.14285	2.4
181.12225	4.1
183.06526	13.6
187.14792	1.5
189.12735	1.1
189.16415	2.1
201.07635	9.9
205.15929	1.6
219.08565	1.4
245.22667	11.8
261.22137	3.2
263.23682	20.4
275.23654	1.5
303.23163	1.3
305.24811	3.4
317.24799	1.8
329.24911	1.6
337.27374	95.3
338.27304	1.3
347.25781	2.5
353.24557	2.5
359.17282	1.4
365.26929	4.8
371.25723	4.6
379.28439	3.5
380.34802	1.2
389.26892	1.4
404.52985	1.0
407.27679	1.8
421.29105	2.5
427.28427	1.2
445.29376	5.7
463.30692	7.4
481.31552	14.2
499.32706	3.1
661.37579	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	661.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
57.03423	0.8
57.07081	3.1
62.99478	0.6
67.05489	2.1
70.95612	0.5
71.08621	2.3
72.28029	0.5
81.07079	2.8
83.08631	1.1
85.10159	1.2
91.05441	0.9
93.07053	1.0
95.04944	0.7
95.08608	1.6
97.06513	0.7
104.37165	0.5
107.08606	1.4
109.10153	1.1
117.57999	0.5
119.08613	0.7
121.10159	0.6
127.13387	0.6
131.08560	0.7
133.10103	0.7
137.73351	0.7
159.25780	0.6
238.54883	0.6
288.64111	0.5
313.27481	1.2
343.47650	0.6
349.19904	9.9
398.95697	0.6
405.22583	3.8
539.58673	0.7
595.63837	0.6
654.49591	0.6
661.46497	100.0
662.46802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.05517	10.7
57.03449	7.9
57.07078	5.0
59.05011	3.0
61.02931	4.8
65.03949	1.3
67.05511	59.7
69.07073	14.9
69.40527	5.0
69.40949	3.3
71.04994	3.0
71.08627	1.7
79.05499	6.0
81.07059	17.6
82.07371	0.9
83.08621	13.9
85.02906	2.5
85.06555	1.8
86.09694	1.5
87.04473	10.4
91.03972	1.2
91.05502	4.6
93.07036	9.2
95.08621	13.6
97.02899	2.5
97.06548	2.1
97.10186	6.9
105.07044	1.3
107.08578	5.1
109.10162	53.9
111.08096	2.6
111.11730	1.4
119.08601	5.6
121.10150	8.1
123.11716	2.9
125.09617	1.7
133.10141	1.1
135.11717	4.8
137.09633	1.6
141.09772	1.0
142.27309	1.0
149.13286	2.6
155.10625	4.9
163.14906	1.3
173.11755	14.7
184.07425	3.9
223.40097	1.1
229.14371	100.0
237.22255	1.2
311.25821	68.8
312.26376	1.6
386.69336	1.1
465.35788	55.8
491.09775	1.1
557.70538	1.0
662.43964	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01866	6.0
55.05263	2.4
55.05516	40.2
57.03213	1.7
57.03445	16.3
57.07069	6.2
57.11482	1.4
65.03927	5.2
65.29781	1.5
66.98798	1.5
67.05509	100.0
69.03446	3.8
69.06725	2.7
69.07075	39.0
69.75875	8.0
71.04994	4.6
77.03930	1.9
78.54984	1.7
79.05499	86.8
81.03414	2.9
81.07060	96.6
83.04978	7.4
83.08630	19.4
85.06543	3.9
87.04478	13.5
91.04893	2.1
91.05485	66.5
93.07051	84.4
95.04977	10.0
95.08611	66.9
95.09248	3.2
97.06528	11.5
97.10176	19.1
99.08105	4.3
105.04540	1.6
105.07032	58.9
107.04955	5.6
107.08602	53.5
109.06534	6.4
109.10167	25.4
111.08092	5.1
113.75410	1.5
117.07027	23.4
119.08588	35.0
121.06522	5.6
121.10149	33.3
123.08058	4.4
123.11696	8.6
125.09647	16.3
128.06226	1.8
129.07016	7.8
131.08578	32.8
133.10143	28.1
135.08060	3.9
135.11700	20.7
137.09619	4.1
137.13248	2.1
138.12773	2.5
141.07001	3.3
143.08543	9.2
145.10133	27.6
147.08022	2.1
147.11688	20.9
149.09656	9.5
149.13243	7.5
155.08540	2.5
157.10158	8.7
159.11697	17.4
161.09671	2.3
161.13252	12.0
163.11215	6.2
163.14818	3.3
165.12756	2.2
169.10201	3.3
171.11708	5.2
173.09520	1.6
173.11948	2.1
173.13278	10.9
175.14879	3.7
177.12794	3.6
179.14316	3.3
183.11731	5.4
185.13264	8.5
187.14876	5.7
189.11241	7.6
189.16428	2.8
195.11641	1.5
195.13899	1.7
197.13370	5.2
199.14902	3.1
201.12953	2.0
203.14339	4.3
205.15758	2.8
209.13362	2.0
213.16396	2.5
219.17453	2.9
227.12785	28.0
227.18060	2.0
229.14418	3.5
229.19595	3.1
239.18047	6.7
243.21152	3.5
247.20576	3.1
257.19046	17.0
259.20502	3.2
261.22064	11.0
265.21747	1.5
267.15942	6.5
269.17407	1.7
275.20093	48.1
277.21674	1.8
283.19092	1.5
293.21078	3.2
299.23550	1.8
317.24640	2.2
321.24521	1.9
322.27548	2.1
331.22601	3.7
333.24182	2.4
335.25821	98.8
349.23718	40.7
431.32028	3.4
489.35757	11.4
505.35367	8.3
513.39331	5.4
515.37262	3.2
529.39044	4.8
546.41595	5.3
569.42206	3.9
609.45123	39.9
627.45892	6.0
644.48883	3.9
662.46967	14.5
663.47394	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.7
53.45844	5.3
55.05515	28.1
57.03455	9.2
57.07071	11.5
67.05170	7.6
67.05508	100.0
69.07076	25.4
69.43408	16.7
69.43831	18.7
73.55429	4.6
79.05507	77.6
80.10541	4.5
81.07070	90.2
83.05009	9.3
83.08613	9.9
87.04478	54.7
88.23795	4.1
91.05489	58.5
93.07059	74.2
95.04985	12.6
95.08610	55.6
97.06535	10.6
105.07034	43.5
107.04967	7.5
107.08601	44.8
109.10170	14.8
109.91376	3.8
111.08083	6.0
117.07008	19.5
119.08614	34.0
121.06548	7.8
121.10140	31.9
123.11753	6.7
125.09543	4.8
131.08559	27.6
133.10168	25.3
135.11673	18.3
143.08554	5.3
145.10123	9.3
147.11716	8.6
149.13274	9.6
159.11694	18.7
159.22166	4.7
161.13309	8.4
171.11758	4.5
173.13338	8.6
175.14790	4.7
187.15022	4.6
193.19093	5.5
239.18103	5.6
255.15955	6.9
261.22214	8.4
269.17456	10.8
275.20099	18.5
335.25797	87.9
349.23642	17.0
459.22073	7.1
515.37494	8.7
529.38959	65.4
569.42236	6.5
585.40350	5.4
609.45508	6.9
662.45282	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	662.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
55.05297	2.5
55.05516	25.0
57.03426	11.6
57.07061	8.5
65.03925	4.4
67.05177	4.0
67.05510	60.7
69.07076	23.8
71.26579	5.3
76.08535	2.9
76.12594	3.4
79.05500	53.0
81.07060	49.8
83.08620	12.4
87.04470	26.6
91.05491	53.0
93.07055	51.7
95.04978	6.5
95.08607	42.3
97.06532	3.6
97.10194	7.7
99.08099	3.0
102.69334	3.5
103.43052	3.0
105.07041	51.4
107.08591	30.1
109.06505	4.1
109.10162	18.7
111.08080	3.2
117.07023	24.5
119.08597	44.8
121.10164	24.1
125.09603	5.0
128.06241	3.8
129.07036	14.3
131.08588	36.0
133.10141	29.5
135.11688	9.0
140.15869	3.4
141.06967	6.0
143.08603	18.4
145.10123	32.7
147.11676	19.1
149.13197	5.6
155.08586	12.0
156.09291	3.4
157.10178	15.2
159.11714	20.5
161.13277	8.3
163.14754	2.8
167.08540	6.3
169.10182	13.9
171.11656	18.1
173.13269	9.4
174.53906	3.3
175.14838	4.7
179.08652	4.2
181.10129	6.9
183.11671	9.6
185.13220	13.8
187.14793	7.4
189.16463	3.9
195.11708	5.9
197.13223	12.3
199.14781	7.1
209.13329	5.7
211.14804	5.1
213.16364	4.7
223.14827	5.7
225.16391	7.0
229.19637	4.4
233.19011	4.5
237.16248	4.7
251.17923	2.9
257.19049	7.6
259.20743	7.2
274.24289	3.7
275.20215	4.9
325.25244	3.6
333.24155	10.0
335.25955	5.2
341.67374	3.1
351.26724	3.7
365.27966	3.9
420.64926	3.1
421.30600	3.2
447.32556	3.1
473.32617	3.4
517.40173	13.0
535.41119	9.6
591.43353	6.9
609.45190	100.0
610.44562	3.8
662.44879	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	662.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.1
55.05519	20.9
57.03436	11.8
57.07072	6.9
67.05509	62.8
69.07073	18.7
69.19946	35.4
71.04993	4.6
71.08634	28.5
79.05495	64.9
81.03426	10.0
81.07059	66.7
83.05010	10.6
83.08624	10.0
87.04472	41.1
91.05483	62.3
91.06011	6.1
93.07048	80.2
95.04974	15.3
95.08618	46.4
97.06541	7.3
98.21556	6.0
99.08088	16.2
99.82426	3.5
105.07032	52.4
107.04935	8.4
107.08584	37.2
109.06491	3.6
109.10171	13.6
117.07027	19.6
119.08600	41.5
121.06654	4.0
121.10167	35.5
123.08084	3.6
123.11683	7.8
129.07010	12.1
131.08583	19.1
133.10173	25.3
135.11703	34.0
137.09557	3.4
143.08578	7.4
145.10152	16.8
147.11696	24.3
149.13258	12.5
151.11198	11.7
157.10170	7.2
159.11725	15.3
161.13313	19.5
163.11198	4.6
171.11668	8.8
173.13286	9.6
175.11328	4.3
175.14890	6.2
179.14320	66.0
185.13309	8.2
191.67834	4.0
202.15913	14.0
219.17560	3.7
220.17024	5.1
231.21251	3.4
241.19531	15.4
259.20514	27.1
275.20142	4.6
276.85687	4.3
277.21655	50.4
315.23221	14.5
333.24222	61.3
335.25638	11.2
348.56622	3.9
349.23315	4.6
351.25241	37.9
383.12915	4.5
493.69498	4.1
609.45184	100.0
627.46338	4.7
662.45477	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	663.1687
Annotation	SC 28762
Peak:m/z	Relative Intensity
63.48988	0.9
71.56577	1.5
76.14518	1.0
94.34978	0.9
311.46442	0.9
654.94116	1.0
663.16827	100.0
664.17206	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	663.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74400	0.4
58.47803	0.3
58.57687	0.3
66.20581	0.4
70.35770	0.5
70.36137	1.2
77.91792	0.3
94.93034	0.4
98.20995	0.6
112.89610	0.4
119.92508	0.9
136.94073	0.5
168.71198	0.4
177.85353	0.3
206.84113	0.4
211.46542	0.4
255.73982	0.4
309.77408	0.4
320.95322	0.5
320.98853	2.5
419.03378	0.5
639.26447	0.4
663.18982	100.0
664.20111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61229	0.6
55.05498	0.9
57.07083	2.4
62.02462	1.0
67.05512	1.3
69.03430	2.8
69.07070	5.2
69.30123	0.6
70.02969	0.6
70.06593	1.1
71.58714	0.7
71.59081	0.7
73.02946	0.9
74.02447	22.0
79.05503	2.1
81.07063	1.0
83.04983	2.2
84.08149	1.4
86.09718	11.4
88.04008	1.8
91.05489	3.8
93.07062	1.5
95.04981	1.1
95.08614	1.4
97.02885	1.1
98.97565	0.7
99.04472	1.9
103.05479	14.7
105.07044	28.2
106.96410	0.6
107.08591	1.7
108.01027	0.7
109.06599	0.7
109.16896	0.6
112.07613	3.7
117.03346	0.8
117.07068	0.7
118.06573	1.2
119.04965	0.8
119.08603	1.5
120.08116	2.9
121.06524	8.7
129.83052	0.6
130.08643	9.8
131.04927	7.0
131.08647	1.1
132.08075	1.6
132.10182	2.8
133.10152	0.9
143.08510	0.9
145.02869	1.0
145.10150	1.2
147.04491	1.1
147.06798	0.8
147.11652	0.6
152.07043	1.0
159.11691	1.1
161.13354	0.7
163.03925	0.6
165.09236	0.7
166.05060	1.4
167.06978	0.9
167.12115	0.6
169.10199	0.7
171.11696	0.6
174.12779	1.9
177.05492	2.5
180.06570	24.9
188.14368	2.0
189.12733	1.1
193.12206	0.7
208.06166	1.1
216.13889	2.8
220.13354	1.2
222.07654	6.9
234.14857	2.1
262.14542	1.1
356.08981	0.7
381.24591	0.7
395.19485	0.9
437.20706	1.8
441.20313	11.1
467.18362	2.7
469.19736	0.9
483.21307	100.0
484.21640	2.1
589.25580	8.8
663.30432	1.6
663.42780	0.9
686.67511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	0.4
69.03441	0.4
69.07069	0.3
70.95687	0.7
71.05010	0.3
79.05503	0.5
81.03445	0.3
81.07052	0.5
82.73515	0.3
84.55983	0.3
85.02922	0.5
88.88830	0.3
91.05491	0.6
93.07035	0.4
97.16867	0.3
103.05465	0.3
105.07051	0.4
109.10207	0.7
118.20295	0.3
120.08102	0.3
121.06524	2.7
140.48303	0.3
145.10114	0.5
146.06120	0.3
149.02441	0.4
159.07964	0.4
160.41779	0.3
163.03926	0.3
173.09654	0.5
175.76126	0.3
180.06534	0.6
187.11142	0.4
193.05099	0.5
203.05124	0.3
243.08374	0.7
301.24722	0.3
306.25717	0.3
413.17764	0.5
427.24677	0.5
445.25586	2.0
474.14948	0.4
483.21204	0.7
491.23077	0.7
501.28403	2.8
635.34088	1.0
645.32080	0.4
663.33545	100.0
664.33673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
53.78886	1.1
55.01874	4.0
55.05264	1.3
55.05513	15.0
57.03435	18.7
57.07079	6.7
59.05000	1.3
61.02928	59.2
65.17598	1.1
67.05504	17.1
69.03078	2.0
69.03426	24.5
69.06731	1.6
69.07072	24.9
69.23649	11.3
71.01347	2.3
71.04971	5.6
71.08626	3.7
73.02921	21.0
79.05492	9.1
79.40421	1.1
81.03419	22.1
81.07059	21.9
83.04975	4.1
83.08622	17.7
85.02905	72.4
85.10192	1.6
87.04462	4.1
89.03915	1.5
91.03955	48.5
91.05482	3.6
93.07035	10.8
93.77798	1.2
95.04951	3.2
95.08607	20.1
97.02893	60.7
97.06522	3.3
97.10172	10.4
99.04432	9.1
99.08073	1.8
101.02382	6.3
103.03940	9.2
105.07022	3.9
107.08595	9.3
109.02885	11.0
109.06544	2.2
109.10162	11.3
111.04424	2.4
111.08083	2.0
111.11726	5.3
115.03904	6.2
117.03415	1.8
117.05508	2.4
119.04953	1.7
119.08575	4.9
119.98402	1.2
121.10158	15.7
123.11732	3.2
125.06034	1.5
127.03921	33.6
129.05482	5.0
131.08592	1.7
133.10136	2.0
135.11713	10.0
137.13231	1.5
145.02905	2.4
145.04951	21.7
145.10115	2.9
146.58504	1.2
147.04419	2.6
147.06599	1.6
147.11751	2.2
149.13289	3.6
151.14783	1.9
153.05399	1.7
153.12730	1.7
159.06593	4.0
163.06094	7.0
163.14784	1.4
165.08966	1.2
171.06517	2.2
175.14815	1.6
177.05452	6.5
177.12878	1.4
183.06519	12.5
189.16354	5.2
201.07552	8.5
218.64156	1.3
219.13808	3.2
242.04765	1.4
247.24251	7.3
263.23813	1.9
265.25241	21.7
283.26382	1.7
319.26346	1.5
339.28952	100.0
339.65717	1.3
349.27365	2.6
367.28421	4.8
373.27332	3.0
381.29974	4.9
409.29135	2.6
423.31894	4.6
447.31165	7.1
451.02716	1.4
465.32117	6.9
468.39548	1.5
469.33121	10.2
483.33206	16.4
501.34286	1.9
663.39136	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	663.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	6.1
67.05495	0.6
69.07057	0.2
71.04972	0.3
71.95252	0.8
72.96037	0.4
79.05482	0.3
81.07061	0.4
83.04907	0.2
84.96029	0.3
85.02890	0.2
91.05472	0.3
92.25579	0.2
93.07059	0.5
95.04961	0.4
95.08594	0.5
97.96848	0.3
98.97578	0.3
106.31642	0.2
109.10143	0.2
110.97587	0.6
115.00686	0.4
119.08565	0.2
121.06503	0.4
127.00715	0.3
128.98618	1.0
133.01762	0.2
133.10173	0.4
136.06215	0.3
141.02269	0.2
145.10130	0.3
146.99564	0.3
147.03305	0.3
153.02238	0.2
155.03839	0.4
157.10110	0.2
159.03357	0.3
159.11699	0.3
163.03941	0.3
167.03853	0.4
169.01794	0.2
169.05356	0.2
171.03310	0.6
173.04872	0.6
175.02692	0.2
175.06468	0.2
181.01772	0.2
181.05376	0.4
183.06947	0.6
184.07191	0.2
185.01228	0.3
185.04834	1.0
187.06435	0.4
189.04333	0.3
195.06898	1.1
197.04951	0.3
198.05661	0.3
199.02835	0.5
199.06334	1.3
199.09961	0.2
201.04408	0.2
201.07993	1.0
203.05965	0.7
211.06519	0.6
213.07988	8.8
215.09550	0.4
217.07484	0.9
223.06447	0.5
225.08064	0.3
227.09573	0.5
229.07542	2.1
231.09058	7.3
236.09537	0.8
239.05914	0.2
239.09575	0.2
241.07510	1.9
241.11131	0.6
243.09044	2.1
245.10637	0.4
247.08501	0.6
253.11130	0.2
254.10683	0.5
255.09097	0.5
257.10617	0.6
259.08563	0.7
261.10117	0.7
269.10666	0.4
269.15271	0.2
277.21484	0.2
293.13889	0.2
295.15726	0.2
303.16266	0.4
307.15784	0.3
307.19168	0.3
309.17474	0.3
315.16269	1.0
321.17477	1.0
331.15875	0.8
333.17377	13.8
335.20789	0.2
336.47989	0.2
339.18439	0.3
349.16989	1.8
351.18436	100.0
352.18777	1.6
369.19504	3.5
374.19968	1.0
392.21097	6.2
393.21259	0.3
410.38217	0.2
587.60730	0.2
663.32684	0.6
663.42969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42208	0.7
57.07079	48.3
62.91409	0.7
67.05479	0.8
71.26895	1.6
87.04455	2.0
91.05489	6.9
93.07055	1.0
95.04948	0.9
102.17667	0.7
105.07027	2.0
119.08584	1.7
147.11688	7.6
149.52988	0.9
152.06258	1.2
153.06985	2.9
205.71330	0.8
229.10101	1.3
233.03642	5.8
251.04665	16.2
307.10989	2.0
312.66910	0.7
327.07809	100.0
328.08014	1.8
383.14081	69.9
384.14359	1.1
439.20370	71.1
440.20566	0.9
495.26614	64.2
496.26724	0.8
551.32880	80.9
552.33160	1.4
607.39087	73.1
608.39020	1.0
663.45404	20.6
664.45282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
56.03745	0.2
57.03436	0.7
60.05615	0.1
65.03952	0.1
69.03446	0.9
69.12382	0.1
69.50719	0.5
69.51151	0.6
71.04996	3.8
75.04501	0.1
79.05504	0.3
81.00900	0.1
81.03425	0.5
83.04999	0.3
85.02911	4.1
87.04462	0.2
89.03924	1.1
91.05492	0.5
91.39344	0.2
97.02895	2.6
98.21046	0.5
99.04483	0.3
107.04944	0.5
108.05737	0.2
109.02882	0.2
110.36945	0.2
111.04473	0.3
117.03384	1.7
119.04955	0.2
121.06503	0.9
123.35545	0.1
127.03941	0.3
129.05475	0.8
133.05223	0.8
134.06041	0.2
135.04428	3.4
135.06799	1.9
145.02850	3.6
147.06570	0.2
149.04761	1.1
149.05830	0.2
161.04741	1.1
162.05472	0.4
163.03914	36.6
163.06239	1.7
164.03380	0.5
164.07033	0.4
165.05469	0.2
176.07085	2.4
181.04970	0.9
191.07071	0.2
194.08138	100.0
195.08479	0.7
226.10632	0.2
264.29926	0.1
307.08154	0.5
309.09637	0.2
314.75870	0.2
325.09195	8.5
471.14548	0.3
518.16345	0.6
528.17157	0.2
535.64917	0.2
554.59131	0.2
616.64795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
53.36438	0.6
55.01855	0.9
55.05513	3.9
57.07063	2.2
59.04979	2.3
62.99058	2.1
65.03913	0.8
67.05511	8.9
69.03407	2.5
69.07075	5.6
69.52106	4.3
71.04998	18.4
71.08629	0.9
73.06528	1.0
75.02687	1.4
77.00603	0.7
79.05500	12.7
79.97876	0.6
81.07063	47.8
83.04974	2.0
83.08604	2.2
85.01097	1.4
85.06535	4.4
87.02666	1.0
91.02176	0.8
91.05491	3.9
93.07040	6.4
95.04954	2.0
95.08621	5.5
97.01081	1.8
97.06546	3.4
97.10179	3.7
98.20741	1.0
99.02651	2.1
99.08096	6.4
103.05449	0.6
105.07046	4.6
107.04931	0.7
107.08606	15.6
109.06501	2.9
109.10165	23.6
111.02692	6.8
111.08072	1.9
111.11687	1.3
113.00546	0.8
113.04194	2.3
115.02149	4.5
119.01663	3.3
119.08561	1.4
121.06527	5.9
121.10157	12.6
123.08124	1.0
123.11716	26.1
125.04252	0.8
125.08769	0.7
125.09644	13.6
127.11163	2.4
129.03688	2.1
130.94481	0.6
133.10136	7.8
134.10851	0.9
135.11685	1.5
139.05739	1.4
139.11185	10.6
141.03711	4.6
141.07330	1.8
143.09605	1.0
143.10681	16.0
144.04440	0.9
146.05983	2.3
149.09602	1.1
151.11189	11.9
155.08907	0.9
155.10661	0.8
163.03857	0.7
165.07317	1.0
169.12256	38.8
175.04234	1.4
176.07024	1.3
178.08624	5.4
183.08403	5.6
187.04243	3.2
201.09459	100.0
204.06557	1.3
209.09943	0.8
219.10513	16.3
222.07611	5.4
227.11009	2.9
237.09447	1.0
252.74216	0.6
255.10497	3.2
260.57004	0.7
273.11600	3.7
275.35361	0.6
291.12625	52.7
358.54312	0.6
374.16055	5.3
470.29269	0.8
632.25153	0.9
664.27869	47.0
665.28040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05510	2.3
57.07063	1.1
63.77687	0.4
67.05236	0.4
67.05505	5.2
69.03423	2.6
69.07057	2.8
70.12768	1.2
71.04996	0.8
71.51537	0.6
79.05493	4.5
81.03433	2.7
81.07062	9.7
83.04970	1.2
83.08610	1.7
85.02907	19.3
86.09715	0.5
87.04455	1.6
91.05480	6.1
93.07053	5.9
95.04971	1.4
95.08607	4.2
97.02869	0.8
97.06503	0.5
98.21449	0.7
99.04455	0.6
105.07037	12.4
107.08585	4.1
109.02869	0.8
109.06548	2.3
109.10139	4.0
111.08035	0.5
115.05482	0.6
117.06995	3.1
119.08582	16.4
121.10143	5.0
123.08067	1.1
123.11707	23.3
125.00029	0.6
125.05985	1.8
125.09565	0.5
129.06998	1.7
130.07767	2.3
131.08569	4.6
131.63437	0.5
133.06488	5.5
133.10104	2.8
135.11685	1.0
143.08585	2.6
145.10127	18.0
146.10846	0.9
147.08025	1.5
147.11693	24.5
149.09625	2.0
149.13237	0.9
151.07529	1.2
155.08568	0.9
156.09338	5.0
157.10063	0.5
159.08063	1.6
159.11681	1.4
161.09608	0.7
161.13307	0.9
165.12740	1.0
171.11667	4.1
173.13269	0.6
174.10376	1.7
178.17758	0.5
184.07356	1.6
189.12752	100.0
190.13083	0.9
207.13806	20.0
224.16458	0.5
225.14838	3.5
249.15028	0.6
369.24185	1.2
387.25339	1.2
405.26392	1.2
560.24042	0.6
664.45966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45929	1.0
55.05516	5.9
57.03445	11.1
57.07081	22.4
59.04990	3.0
61.02936	3.9
67.05511	64.2
68.57774	1.0
69.07075	5.7
69.64535	0.9
70.38035	2.6
70.38405	1.3
71.04996	2.0
71.08636	17.6
73.02914	1.1
74.09728	0.8
79.05494	1.2
81.07069	15.8
83.08628	10.6
85.02924	4.7
85.06562	1.6
85.10194	10.8
87.04461	0.9
87.22847	0.8
91.03970	1.7
91.05479	5.0
91.52088	0.8
93.07052	2.9
95.08614	16.0
97.02902	2.9
97.10179	2.7
98.21432	1.1
107.08623	1.9
109.10163	68.0
111.08096	2.6
118.46008	0.8
119.08575	5.8
119.17100	0.9
123.11710	2.1
135.08266	0.8
135.41214	0.9
137.09656	3.7
137.13245	1.1
155.10680	6.5
173.11752	19.6
184.07433	1.3
184.42911	0.8
229.14372	100.0
239.23581	1.8
257.24741	2.0
313.27393	79.4
314.27762	1.1
400.88086	0.9
467.37375	68.2
468.37640	1.1
475.72980	1.0
595.92096	0.9
664.46417	1.6
683.66559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93658	1.2
55.01869	3.9
55.05517	6.7
57.07072	2.6
67.05508	15.1
69.07050	5.0
71.59196	1.9
79.05503	11.5
81.06583	1.6
81.07060	30.8
83.04961	3.2
83.08631	2.6
87.62173	1.2
89.06043	1.5
91.05500	5.6
93.07045	10.6
95.08613	13.1
105.07030	4.2
107.08602	7.6
109.06511	10.8
109.10159	5.8
111.04456	16.1
117.07036	1.4
119.08621	5.8
121.10148	7.2
123.11685	2.3
125.06001	3.8
131.08563	2.6
133.10132	4.7
135.07982	2.8
135.11678	5.7
137.05991	100.0
137.13216	1.1
137.82608	1.1
143.08502	1.2
145.10110	1.6
147.08005	2.2
147.11697	6.2
149.09634	3.6
149.13258	1.4
151.07594	2.6
156.31305	1.3
157.10226	2.1
159.11708	1.4
161.09558	6.6
161.13272	3.1
162.32426	1.2
163.11130	3.0
163.14703	1.2
165.09167	1.7
175.11185	6.2
175.14818	1.4
176.74147	1.1
179.94691	1.3
183.18404	1.0
193.12209	1.8
203.17953	4.4
213.16376	3.7
231.17516	8.2
249.18466	4.1
253.18245	1.4
277.18002	46.3
295.19089	8.0
308.52051	1.3
335.25848	25.6
351.21677	17.9
388.59906	1.1
530.76855	1.3
552.33386	1.5
581.85657	1.2
611.43176	62.3
612.43451	2.2
626.77136	1.3
629.44037	2.1
664.45276	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31102	1.9
53.03943	6.4
55.01874	4.6
55.05516	38.1
57.03443	14.3
57.07087	9.6
59.05016	2.6
65.03944	4.7
67.05508	100.0
69.03432	3.4
69.07074	38.6
71.04995	3.3
71.08589	2.6
71.08889	2.7
72.09988	1.8
79.05499	56.0
81.03413	2.8
81.07062	95.9
83.04980	7.0
83.08620	20.6
85.06557	4.2
85.10186	2.5
87.04490	2.6
91.05074	1.1
91.05485	45.1
93.07052	51.7
95.04984	8.6
95.08612	66.7
97.06535	7.1
97.10175	14.2
99.08115	4.2
105.04549	2.0
105.07036	39.6
107.04977	6.8
107.08606	39.6
109.06557	3.9
109.10165	36.0
109.10911	2.3
111.08106	5.1
114.35000	1.9
117.07040	11.8
119.08588	31.9
119.09370	3.2
121.10133	23.0
123.08072	3.7
123.11732	7.3
125.09627	10.4
129.07016	4.6
131.08589	16.7
133.10156	25.8
135.08087	4.7
135.11688	13.0
136.56262	1.9
137.09627	3.0
137.13275	3.7
141.07016	2.4
143.08562	5.9
145.10133	15.2
147.11716	15.6
149.09625	5.3
149.13263	6.8
151.11227	3.1
155.08572	2.9
157.10052	4.5
159.11711	13.2
161.13281	9.6
163.11208	6.6
163.14806	2.2
165.09155	1.9
165.12827	2.5
169.10164	4.2
171.10295	2.5
171.11748	5.4
173.13254	6.3
175.14796	4.1
179.14320	3.5
183.11739	2.5
185.13252	10.1
187.14848	2.3
189.11232	6.2
197.13232	2.3
199.14839	2.1
200.57256	2.0
203.14383	5.1
219.17448	2.5
223.88342	1.8
227.12779	31.7
229.14391	7.8
239.17976	3.8
241.19582	2.2
257.18976	13.3
261.22086	4.5
263.23700	3.3
267.16064	3.8
269.17487	4.6
275.20068	35.5
277.21664	3.5
293.21167	3.0
327.07999	2.9
335.25809	12.9
337.27414	67.4
349.23788	32.4
351.25415	4.2
367.24881	2.3
383.14063	3.4
433.32950	3.5
440.20547	2.6
489.35648	7.3
491.37238	12.8
507.36520	2.9
529.38904	14.7
531.40717	4.1
547.40039	3.1
552.33032	4.6
571.43829	4.7
611.46631	33.9
628.49261	2.4
629.47369	7.3
664.49438	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	23.0
57.03435	12.4
57.07073	18.8
67.05508	81.8
67.13811	7.1
69.07068	31.4
70.77099	16.9
79.05483	35.7
81.03405	8.3
81.07072	100.0
83.08614	23.9
84.70840	8.6
91.05485	41.9
93.07076	49.0
93.62821	7.5
95.04951	11.8
95.08616	59.5
98.98460	22.0
105.07021	25.9
107.08588	34.9
108.48811	8.9
109.10168	24.3
117.07072	14.8
117.96286	8.0
119.08575	23.5
121.10165	19.5
123.11745	14.7
133.10158	19.5
135.11729	14.1
145.10153	15.3
147.11674	11.7
149.13234	10.2
163.11197	10.8
195.13892	8.3
255.15999	12.8
262.48590	8.4
269.17566	12.5
275.20065	21.4
327.07733	14.3
328.07996	9.6
337.27402	61.4
348.46143	8.0
349.05844	9.4
349.23663	18.3
383.14297	9.4
440.20752	9.6
517.38721	18.8
531.40381	75.6
552.33337	17.7
582.95007	8.5
611.46643	10.9
664.44873	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	665.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39867	0.7
71.59183	1.2
81.07090	0.8
84.08131	0.9
85.02934	0.8
91.05457	1.7
93.07030	0.7
97.02888	2.2
99.81374	0.8
105.07008	0.9
117.03418	1.3
119.04952	0.9
121.06498	1.7
123.06610	0.7
131.04955	1.0
135.04401	2.5
137.05980	6.8
144.81590	0.8
145.02859	3.1
147.04419	1.1
163.03912	17.4
163.05225	1.1
163.07497	1.0
164.07047	0.9
165.05466	0.8
175.07622	0.9
177.05560	1.7
189.25146	0.8
203.01169	1.5
209.15375	0.9
271.06192	1.3
277.07141	1.1
295.08191	4.7
448.97388	0.7
471.06918	2.4
487.10068	1.0
501.10043	2.1
503.09549	21.6
517.66144	0.9
532.20685	0.9
612.76691	0.7
665.14764	100.0
666.14899	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09189	0.7
55.05499	1.0
61.01150	1.7
65.03942	4.2
67.05482	2.3
69.03426	3.0
69.07069	1.9
70.06582	1.1
70.96694	1.1
70.97050	1.5
71.04989	1.1
77.03918	0.7
79.05515	2.0
81.07061	2.3
83.05000	3.7
87.04476	1.0
89.03923	3.8
91.05486	3.2
93.03423	6.1
93.07062	2.4
95.04974	1.5
95.08602	7.2
97.02898	100.0
97.06497	1.3
99.08081	1.8
103.05455	1.2
105.07018	1.7
107.04972	1.6
107.08596	9.4
109.06516	2.4
109.10136	4.5
111.08144	0.8
115.05463	0.8
117.03381	6.4
119.04982	0.8
119.08660	1.1
121.02894	1.9
121.06523	5.4
121.10139	9.8
123.04415	1.0
123.08041	1.5
123.11703	0.8
125.02302	1.0
125.09617	4.2
128.06241	1.0
129.06995	9.0
131.04971	1.1
131.08586	1.6
131.85301	0.7
133.10133	3.5
135.04427	13.7
135.08038	4.1
135.11673	1.3
137.02344	3.7
137.05991	3.3
137.09612	2.0
139.03925	0.8
139.05476	1.0
139.11153	1.0
141.07014	3.2
145.02853	11.8
145.06477	0.9
145.10100	1.2
147.04411	2.2
147.08023	1.1
147.11739	2.4
149.02350	3.9
149.09610	3.5
149.13263	6.1
151.03860	1.3
151.11189	24.2
157.06516	6.7
160.05222	1.2
161.06061	1.3
163.03915	88.6
163.14822	3.9
164.04321	1.0
164.07147	1.1
165.12727	3.7
167.03427	24.2
167.04906	1.7
167.10760	1.0
169.06516	2.4
171.94812	0.7
173.06046	2.4
173.13269	4.3
174.06689	0.7
175.03986	1.7
175.07567	13.8
177.05542	1.0
183.04381	0.9
185.05965	12.5
187.07574	2.1
191.14313	26.7
200.05525	0.9
201.05450	3.5
203.07042	9.6
209.15388	31.0
209.17400	1.6
213.05453	8.0
221.06818	0.7
231.06546	14.7
250.10812	1.2
251.11076	1.3
259.05997	4.8
271.06036	0.9
277.07074	53.4
295.08139	10.2
325.09146	1.2
339.12183	0.9
469.12787	1.8
484.14386	1.3
485.14957	2.5
503.33881	1.0
513.14221	1.3
555.71338	0.8
574.90076	0.8
621.81055	0.9
647.27521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
55.01873	0.9
55.05523	1.1
57.03439	0.8
58.48312	0.4
59.05005	0.7
61.02933	0.9
65.03947	4.9
67.05506	2.5
69.03437	5.4
69.07071	1.4
70.06573	0.5
70.44877	1.4
71.04993	0.7
77.03922	0.5
79.05491	1.9
81.03412	5.1
81.07064	2.1
83.04998	1.0
85.02908	7.9
89.03914	4.8
91.03938	0.6
91.05489	2.1
93.03410	7.7
93.07048	1.3
94.04193	0.6
95.05000	2.3
95.08614	1.9
97.02896	97.8
99.08091	0.8
103.05493	1.0
105.07044	2.1
107.04950	2.3
107.08605	3.0
109.02865	1.2
109.06541	3.5
109.10195	1.1
110.03673	0.5
111.04434	1.2
115.05463	1.6
117.03388	8.3
117.07043	0.8
119.04951	1.4
119.08591	1.4
121.02879	2.1
121.06509	1.2
121.10167	4.2
122.03664	1.0
123.04456	0.9
123.08070	2.6
123.11695	2.1
125.02357	1.3
127.03921	1.3
128.06233	2.2
129.07014	10.7
131.04951	1.1
131.08589	0.7
133.10146	0.9
135.04430	15.6
135.08051	0.9
135.11693	0.5
136.07639	0.8
137.02365	3.9
137.05983	15.2
137.09619	2.1
139.03922	0.8
139.05461	1.3
141.07005	3.2
143.04955	1.0
145.02852	13.8
145.04936	1.6
145.06540	0.5
147.04385	3.3
147.08061	1.7
147.11687	1.3
149.02344	4.8
149.06029	0.7
149.09608	3.7
149.13269	3.1
151.03891	1.4
151.07634	0.5
151.11194	15.9
157.06520	8.3
160.05193	0.8
161.05956	1.8
163.03912	100.0
163.07553	2.2
164.04266	1.0
165.12758	29.5
167.03424	24.2
167.04874	1.8
169.06476	2.4
173.06059	2.6
173.13309	0.6
174.06757	1.5
175.03923	1.5
175.07561	20.8
177.05489	1.8
180.06624	0.7
185.05988	13.2
187.07562	1.9
191.14328	2.2
193.15884	2.1
194.08119	1.8
195.04420	0.6
199.07521	1.1
201.05560	3.1
203.07022	9.1
203.08678	1.2
209.15373	80.3
210.15717	0.9
213.05484	6.4
215.07054	0.8
231.06512	20.4
241.05035	0.7
244.99635	0.5
248.41364	0.5
259.05917	4.7
271.06009	4.0
277.07080	49.0
291.10138	0.6
295.08136	7.1
301.08472	0.6
321.11130	0.6
323.12704	1.9
325.09430	1.0
327.12076	0.6
357.13278	1.1
371.20557	0.7
468.14673	0.8
469.14685	0.8
665.23004	2.4
665.36414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.05505	1.4
56.54240	0.5
57.03431	1.4
58.21093	0.4
61.02926	2.5
65.03941	0.5
67.05510	5.6
69.03423	2.2
69.07072	1.8
71.04971	1.1
71.58527	0.8
72.23180	0.6
73.02915	2.1
79.05495	4.5
80.86671	0.4
81.03423	1.2
81.07053	10.0
83.04973	0.8
83.08611	1.6
85.02908	3.7
85.30078	0.4
89.03914	1.5
91.03964	2.0
91.05482	2.7
93.03400	0.8
93.07049	8.3
95.04960	0.9
95.08607	4.9
97.02929	2.3
97.06543	1.5
99.04436	0.6
101.02358	0.9
103.05490	0.5
105.07035	4.6
107.08604	6.4
109.10167	2.9
111.04488	0.9
111.08074	0.8
117.03391	6.0
117.07039	1.2
119.08600	5.6
120.63817	0.4
121.10165	3.9
123.08087	0.7
123.11736	1.1
125.06016	1.5
127.03954	1.3
129.06946	0.6
131.08612	2.0
133.10147	4.4
135.04359	0.5
135.11739	2.0
137.05998	1.7
143.08566	0.9
145.02855	14.4
145.10168	3.5
147.04433	0.8
147.11694	2.5
149.05988	2.8
149.13274	4.0
153.05486	3.0
157.10110	1.3
159.11700	4.2
161.13283	1.9
163.03902	0.9
163.14778	0.7
171.11790	0.8
173.13321	1.6
175.14810	1.6
176.11639	0.5
177.05472	32.3
177.12695	0.9
177.16376	1.2
179.07039	1.4
185.04228	0.7
185.13211	0.5
186.05579	1.1
187.14841	4.6
189.16444	2.4
191.18030	1.1
195.06555	5.3
195.13846	0.6
199.14810	1.2
201.12830	0.6
201.16391	2.8
203.17992	1.7
205.15897	1.0
205.19551	0.5
211.14822	0.5
215.18013	2.2
217.15884	0.8
217.19553	0.5
219.17502	1.4
233.19099	0.7
235.13101	2.7
241.19615	0.6
243.08452	1.6
243.21213	0.6
247.17021	0.7
261.18552	0.6
267.21072	0.6
269.17462	1.0
291.15683	1.0
389.32074	1.1
407.33087	3.4
435.32617	0.9
453.20956	17.6
453.33627	2.5
665.35065	100.0
666.35437	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	665.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05310	0.4
55.05514	4.9
57.07065	2.0
62.09478	0.4
63.02372	0.8
65.03941	0.5
65.91123	0.5
67.05507	6.1
69.07073	7.5
69.35580	2.2
69.36001	1.4
71.04980	0.7
78.04719	0.7
79.05495	4.7
81.07064	14.1
83.05007	0.5
83.08144	0.6
83.08627	10.8
85.06528	0.6
89.03920	7.5
91.05471	6.9
93.07046	11.2
95.04965	1.1
95.08612	25.5
97.10155	1.6
98.20618	0.4
99.08095	2.0
102.12129	0.5
103.05457	1.0
105.07034	15.6
107.08603	21.4
109.06528	1.0
109.10158	10.4
111.00898	0.4
111.08048	0.6
115.05450	0.7
117.03386	18.2
117.07019	2.4
119.08589	29.8
121.06505	0.7
121.09312	0.9
121.10159	15.3
123.08118	0.6
123.11713	7.2
125.09603	0.8
126.13771	0.4
128.06224	1.0
129.06996	1.0
130.07805	1.1
131.08582	10.2
133.10138	16.2
134.03636	1.5
135.04410	1.6
135.11691	12.6
137.13260	2.9
139.58597	0.5
141.07004	1.0
142.07780	1.0
143.08557	6.3
144.09328	0.6
145.02853	49.3
145.10126	16.1
146.10864	0.8
147.11699	12.9
149.05984	8.8
149.09602	0.5
149.13264	6.3
151.07539	1.1
151.11235	0.6
151.14870	1.0
153.09033	0.7
155.08542	1.8
156.09317	1.3
157.10149	6.6
158.10905	0.9
159.11702	15.3
161.13284	7.7
162.03172	0.9
163.03908	3.4
163.07510	1.8
163.11182	1.4
163.14836	6.2
165.12791	1.0
169.10136	4.0
170.10951	0.5
171.11707	6.5
172.12462	0.6
173.13274	8.1
175.14833	12.5
177.05481	100.0
177.16377	6.9
178.05876	0.7
181.12273	0.6
182.11070	0.5
183.11678	4.1
184.12508	0.7
185.13274	7.5
186.05540	2.3
186.14047	0.6
187.14838	14.9
189.16397	17.8
191.18039	4.0
195.06538	29.3
195.11697	1.4
197.13277	4.8
198.14116	0.9
199.14841	8.7
201.16396	21.0
203.14288	4.5
203.17958	8.7
205.12367	0.6
205.15915	4.3
207.17467	4.9
209.13309	1.9
211.14839	6.1
213.16396	9.7
215.14488	1.0
215.17973	4.1
217.15942	1.0
217.19545	1.4
219.13809	1.2
219.17470	1.6
221.15428	0.7
221.19000	0.6
223.14873	1.1
225.16373	1.2
227.17969	2.0
229.19510	1.4
231.13782	0.9
231.17496	2.3
233.15370	2.9
233.19006	0.6
237.16399	1.2
239.17960	2.5
241.19524	2.9
243.21094	1.3
245.15372	3.1
247.17029	2.6
249.14874	4.6
251.17882	1.3
253.19495	2.3
255.21098	1.6
257.15381	0.8
257.22678	0.6
259.16986	4.6
265.19537	0.9
267.21072	3.5
277.17966	0.7
281.22681	0.8
285.18469	0.7
287.20074	0.7
293.22592	0.6
295.24155	0.9
297.18512	0.8
299.20114	1.9
305.22675	0.7
307.24179	1.3
313.21967	0.8
319.24164	0.9
325.21506	0.9
327.23251	1.5
333.25760	0.9
339.23184	0.6
340.76218	0.6
347.27444	0.7
347.88354	0.5
351.23087	0.6
353.24939	2.3
353.28458	0.5
363.30527	1.5
367.26312	0.6
379.26361	1.4
381.31775	0.9
389.32098	7.1
391.33624	1.9
392.26920	0.6
393.27933	0.6
407.33157	13.9
409.31012	16.9
410.31525	0.7
425.34503	2.7
427.32114	2.5
435.32635	33.2
453.33688	12.4
537.21954	0.5
676.82599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05511	2.3
65.03954	0.6
67.05511	3.8
69.07072	2.8
70.61079	1.4
70.61469	0.5
79.05509	2.9
81.07067	7.1
82.53182	0.4
83.04974	1.5
83.08633	1.2
89.03920	7.0
91.05479	4.5
93.07040	7.1
95.04953	1.9
95.08610	8.9
97.06508	0.8
97.10167	0.6
103.05454	0.7
105.07044	8.6
106.04181	0.8
107.08598	10.3
109.06518	1.4
109.10149	5.8
111.08067	1.6
117.03392	18.3
117.07034	1.3
119.08589	11.7
121.06497	1.2
121.10154	6.4
121.72740	0.5
123.08089	0.5
123.11707	2.7
125.09631	2.2
128.06270	0.5
129.07016	0.8
131.08580	4.8
133.10139	8.9
134.03703	1.1
135.04433	1.5
135.08075	0.6
135.11710	3.9
137.09663	0.6
137.13251	0.6
143.08554	1.7
145.02856	43.2
145.10123	9.6
145.45065	0.5
147.11710	5.2
149.05997	7.2
149.09665	0.8
149.13248	3.0
157.10123	2.0
158.05992	0.6
158.10899	0.6
159.11687	7.1
161.13245	4.7
163.03947	1.7
163.14854	2.6
169.10133	0.7
171.11682	2.1
173.13228	4.5
175.14821	4.9
177.05481	100.0
177.16423	4.5
178.05818	0.6
183.11705	0.8
184.07330	0.6
185.13237	1.0
186.05516	3.3
187.14825	12.0
187.16452	0.9
189.16373	9.2
191.14334	1.8
191.17947	2.1
193.15901	0.6
195.06532	10.1
197.13272	0.7
199.14766	2.7
201.16397	11.3
203.17982	5.1
205.15906	2.3
211.14905	0.7
213.16370	5.1
215.17978	6.8
217.15886	2.1
217.19522	1.2
219.17435	6.1
221.15253	0.7
227.17957	1.0
229.19406	0.9
231.17445	0.9
233.18994	1.5
235.16951	3.1
241.19603	1.2
243.21091	1.0
247.16937	1.5
249.18372	0.6
255.21056	1.0
261.18521	2.0
267.21091	1.5
281.22604	0.8
283.24164	0.5
287.19980	0.5
349.29001	0.6
389.31979	2.9
395.29605	1.8
407.33151	12.7
409.34711	1.3
423.32297	0.9
425.34210	1.0
430.42944	0.5
435.32587	4.3
440.12820	0.5
443.34885	0.8
453.33704	10.3
473.19476	0.6
524.83490	0.5
565.48993	0.4
614.04352	0.6
629.39032	0.5
665.33093	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.2
63.87611	1.3
67.05515	6.9
69.07056	4.6
70.28792	5.6
79.05495	3.4
81.07063	12.1
83.08621	4.7
88.81039	1.4
89.03918	8.6
91.05492	4.7
93.07053	8.0
95.08617	16.5
105.07024	13.3
107.08611	13.5
109.10184	13.6
117.03390	24.0
117.07080	2.2
119.08588	17.3
121.10155	10.2
123.11710	3.4
131.08566	8.5
133.10139	13.1
134.03580	2.3
135.04419	2.0
135.11693	6.4
136.80818	1.3
143.08583	3.5
145.02858	54.5
145.10110	11.1
147.11688	11.4
149.06004	7.7
149.13246	6.6
157.10109	4.6
159.11714	7.0
159.25378	1.5
161.09573	2.0
161.13248	8.3
163.03830	1.9
163.14818	3.4
164.96690	1.4
166.06880	1.5
169.10066	1.6
171.11671	4.6
173.13301	6.8
175.14828	8.6
177.05482	100.0
177.16367	6.1
185.13281	6.8
186.05470	3.2
187.14795	6.0
189.16389	11.0
191.17958	2.0
195.06540	19.0
197.13171	1.5
199.14816	4.7
201.16399	10.2
203.14319	2.3
203.18010	10.1
205.15887	3.5
205.19510	1.7
213.16388	6.8
215.17981	2.5
217.15919	1.6
217.19472	2.0
219.17331	1.7
220.71080	1.8
225.16357	2.3
227.17952	2.5
233.15317	2.3
238.05602	1.6
243.21092	2.1
245.15300	2.1
247.16953	2.4
249.14786	3.2
271.16611	1.5
281.22672	1.7
327.23206	3.5
389.31805	4.8
407.32953	5.6
435.32794	14.9
453.33783	10.8
647.39142	2.8
665.36261	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
57.07055	1.2
63.02365	0.7
67.05504	3.1
69.07072	2.9
71.03015	0.8
77.03935	0.4
79.05495	2.7
81.07054	6.0
83.08625	4.3
89.03916	7.2
91.05479	3.8
93.07043	6.3
95.04967	0.4
95.08609	12.8
97.10175	0.7
97.88834	0.4
99.08081	1.8
103.05459	0.5
105.07028	9.3
107.07867	0.7
107.08598	13.0
107.74339	0.3
109.06524	0.5
109.10158	10.1
111.08085	0.6
111.11655	0.4
114.33876	0.4
117.03378	16.6
117.07024	1.6
119.05050	0.4
119.08579	16.1
119.09457	0.8
120.45258	0.4
121.10144	10.7
123.11701	4.3
125.06026	0.5
129.06932	0.7
131.08574	6.3
133.10133	15.6
134.03619	1.6
135.04422	1.2
135.11703	7.3
135.57358	0.4
137.09543	0.7
137.13258	1.9
142.07742	0.5
143.08557	3.5
145.02847	44.2
145.10124	11.5
147.11681	8.6
149.05974	6.7
149.13254	5.0
151.11186	0.5
151.14827	0.9
153.05405	0.8
155.08566	0.8
157.10112	4.0
158.05925	0.4
158.10844	1.1
159.11694	9.5
161.13246	4.7
162.03119	0.4
163.03911	1.4
163.07497	0.9
163.11203	2.1
163.14836	4.1
165.12740	0.6
169.10159	1.4
170.10912	1.0
171.11682	3.2
172.12399	0.5
173.13260	8.3
175.14830	7.4
177.05470	100.0
177.16365	4.7
178.05829	0.7
179.14351	0.8
181.10139	0.5
183.11745	1.9
185.13261	7.4
186.05482	2.6
187.14832	11.2
189.16420	5.7
191.17976	2.1
193.15892	0.8
195.06538	15.0
195.11736	0.8
197.13278	1.7
199.14809	4.9
201.16385	17.5
201.18259	0.8
203.14305	4.7
203.16022	0.5
203.16408	0.4
203.17957	4.1
205.15915	4.9
207.17508	2.5
209.13217	1.0
211.14793	2.1
213.16379	4.4
215.14395	0.7
215.17918	2.9
217.15749	0.5
217.19550	0.8
219.13869	0.9
219.17468	1.5
221.15411	0.5
221.19070	0.8
223.14819	0.9
223.16917	1.4
225.16396	1.3
227.17993	1.9
229.15971	0.4
229.19559	1.2
231.13947	0.5
231.17581	0.8
233.15402	1.8
237.16322	0.8
239.17941	1.1
241.19635	0.7
243.21150	0.6
245.15446	1.9
245.19081	0.6
247.16861	2.5
249.14859	6.1
251.17967	0.8
253.19540	1.1
255.21153	0.6
259.16959	1.6
261.18445	0.5
267.21069	1.3
279.21109	1.0
281.22565	0.6
285.18521	0.6
293.22403	0.6
295.24210	0.5
309.25702	0.9
319.24326	0.7
327.23212	0.9
335.27643	0.5
337.88837	0.4
341.24811	0.6
349.28821	1.4
353.24774	0.6
353.32266	0.4
367.29810	0.8
379.26297	0.5
389.32065	4.5
391.33411	0.6
395.29440	2.4
407.33118	17.2
409.30548	2.2
417.31543	0.6
425.34058	4.4
435.32581	10.0
453.33710	6.8
471.34720	3.2
526.56549	0.4
647.39362	5.1
665.38373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
67.05488	0.8
69.03425	0.5
69.07111	0.5
69.28458	1.4
69.28889	2.9
70.06588	0.5
74.09732	0.5
81.07069	0.9
85.02914	0.5
91.05482	5.7
93.07051	4.3
95.04966	0.9
95.08607	0.8
97.02899	1.5
98.21449	1.0
103.05480	3.1
105.07042	0.7
107.08628	0.5
108.95442	0.5
109.10152	0.6
115.05460	1.5
116.98489	0.4
117.05724	0.6
117.07035	1.6
118.06551	33.3
119.05011	0.5
119.08619	0.5
121.06512	41.9
121.10146	0.6
126.61784	0.4
130.06541	0.8
132.08078	0.6
133.10153	0.7
137.05966	0.6
142.06532	2.9
143.07320	2.8
144.04471	1.1
144.08092	22.1
146.06018	100.0
147.06329	0.9
147.11623	0.4
149.09622	0.5
152.07051	0.5
160.07561	1.5
161.13261	0.8
163.03944	0.6
166.04997	2.5
168.94951	0.5
170.06026	8.0
177.05525	0.9
180.06567	19.5
188.07079	90.3
189.07480	0.6
194.08131	1.0
208.06030	1.4
220.06062	0.8
222.07619	14.4
238.07018	1.4
246.42833	0.5
254.10254	2.0
262.07465	0.6
263.08160	0.9
276.08868	0.5
280.08167	1.9
289.09723	2.0
291.11127	1.3
303.11145	0.7
305.12723	0.5
307.10611	0.9
328.11813	1.5
335.10275	20.6
337.27295	1.0
341.10236	0.7
349.11798	6.5
377.11435	0.6
395.12408	6.9
409.13962	44.7
410.14255	0.6
437.13455	19.1
438.13437	0.5
441.16705	3.7
454.33292	0.5
455.09735	0.6
455.16071	8.6
469.15732	0.7
515.18195	44.7
516.18329	0.7
529.19452	2.3
547.20636	0.7
557.19275	10.5
589.21832	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	666.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71908	2.7
53.03950	4.2
55.05513	15.9
57.03432	9.7
61.02929	33.0
65.03957	2.9
67.05171	4.3
67.05508	62.7
69.03430	3.3
69.07054	12.6
69.30108	17.4
69.30532	7.6
71.04990	8.8
73.02927	13.8
74.40769	2.6
79.05501	59.6
81.03424	4.2
81.07062	80.9
83.04974	2.7
83.08624	10.1
85.02908	41.8
85.06522	5.0
91.03955	30.3
91.05494	40.4
93.07056	64.3
95.04978	6.3
95.08616	70.4
97.02910	20.8
97.06512	5.2
97.10188	4.1
99.04478	3.5
99.08109	3.5
105.07031	34.3
107.04971	3.5
107.08599	53.0
109.06515	2.8
109.10165	32.2
111.08085	5.5
117.07026	11.4
119.08588	27.8
121.06517	11.5
121.10155	61.3
123.11713	17.3
127.03922	11.8
131.08580	39.2
133.10149	36.7
135.11713	46.6
137.09615	5.5
139.11159	2.8
145.04970	18.1
145.10149	32.8
147.11690	14.3
149.13254	19.3
151.11211	8.3
156.00780	2.8
159.11711	21.7
163.03918	4.4
163.05994	22.4
173.13277	11.7
179.55472	3.3
185.09361	2.9
187.14874	7.4
205.19469	5.5
215.17976	71.4
233.19020	100.0
246.27376	3.0
251.20085	6.1
307.22726	47.1
325.23715	35.9
469.27975	5.4
666.34827	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	666.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.01860	5.3
55.05511	33.5
57.03440	12.5
57.07076	9.4
65.03941	9.0
67.05506	96.8
69.03430	41.8
69.07074	36.2
69.34729	5.0
71.04985	14.6
79.05499	82.5
81.03420	51.6
81.07054	100.0
83.04984	18.2
83.08614	16.7
85.02898	41.3
85.06534	6.8
91.05479	77.3
93.07040	86.4
95.04969	25.1
95.08609	78.2
97.02880	25.8
97.06531	65.1
97.10152	10.0
99.04434	9.0
99.08070	9.0
100.64734	5.6
103.05408	6.1
105.07029	75.2
107.04973	6.6
107.08595	81.6
108.08938	7.4
109.02917	8.9
109.06514	37.0
109.10168	42.2
111.04446	11.8
111.08072	6.9
113.06089	6.0
115.05439	6.8
117.07011	30.3
119.08581	60.7
121.06544	10.4
121.10154	65.8
123.04473	5.5
123.08111	13.3
123.11725	35.8
127.03911	16.0
129.07001	21.3
130.07782	5.5
131.08563	66.3
133.06506	9.6
133.10139	70.6
135.08060	16.8
135.11681	29.1
137.09637	6.6
139.11269	5.5
141.06970	7.3
143.08589	16.9
145.06500	8.7
145.10144	61.8
147.08037	9.5
147.11681	65.4
149.09674	7.2
149.13268	20.8
151.07530	6.7
151.11136	11.2
153.09094	15.6
155.08557	9.9
157.10165	14.5
159.11729	29.5
161.13280	12.0
163.14780	13.2
165.06949	5.3
165.12686	8.9
169.10101	9.3
171.11722	16.8
173.13268	43.1
175.11212	7.4
175.14853	8.7
183.11658	10.5
185.13297	7.8
187.14825	9.6
189.12773	92.4
191.14288	33.4
197.13289	7.6
199.14865	10.0
207.13847	21.5
209.15358	61.7
227.16420	52.9
244.09718	35.2
261.22168	21.1
273.21939	9.6
277.21652	7.1
279.23187	7.0
285.22195	7.6
289.21490	6.9
303.23260	21.9
310.97733	6.3
315.23260	8.8
319.22641	6.6
327.23166	8.8
341.24762	7.7
351.23215	18.1
359.25891	7.9
369.24207	50.5
387.25278	46.4
405.26364	47.3
416.36578	5.6
423.27487	16.4
631.41174	8.1
666.40161	9.3
667.44385	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	667.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03948	1.5
55.01866	0.4
65.03932	0.4
66.04709	0.7
67.05531	0.2
69.03420	0.2
69.27807	1.5
69.28611	0.2
77.03928	0.7
78.04722	0.3
79.05066	0.2
79.05496	3.1
81.03420	0.8
81.07047	1.0
85.02896	0.8
89.03923	2.5
90.68476	0.2
91.04962	0.3
91.05485	3.7
93.07050	0.6
94.04204	1.1
95.04964	1.2
98.20681	0.4
103.05460	0.8
105.03387	1.6
105.04459	0.3
105.07047	0.4
107.04972	1.4
107.61788	0.2
109.02893	0.3
109.06512	2.3
112.11276	0.2
114.91795	0.2
117.03384	3.4
119.04959	2.9
121.06513	3.2
122.03653	1.1
123.04447	1.2
127.03951	0.2
129.07016	0.3
131.04903	0.2
133.02869	1.9
135.04424	8.2
136.05115	0.2
137.02264	0.2
137.05150	0.2
137.05986	6.2
143.08556	0.4
145.02847	4.3
145.03978	0.2
147.04417	5.1
149.05980	0.4
151.03880	1.6
151.07513	0.4
161.05983	0.9
162.86542	0.2
163.03915	37.3
164.04288	0.3
165.05481	100.0
166.05844	0.6
167.07057	0.4
171.08044	0.4
173.05965	0.4
175.03995	0.9
175.07576	0.6
177.05457	0.5
179.07083	0.9
179.08405	0.2
181.06413	0.3
183.04500	0.2
183.06558	0.5
185.06001	0.2
189.05533	0.3
193.05022	0.3
199.07538	0.6
203.07082	0.6
207.06555	0.9
215.07144	0.4
217.08624	1.6
221.08127	0.3
227.07062	0.5
231.06657	0.2
233.08119	0.7
243.06555	0.5
245.08115	7.2
254.08766	0.2
263.09207	1.8
265.07120	0.5
401.18399	2.3
401.68460	0.6
443.13644	0.9
457.26382	0.2
667.20703	0.2
697.15656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.3
64.24979	1.0
65.03940	2.9
67.05493	2.1
69.03418	2.9
71.04996	1.1
71.59199	1.8
75.35526	1.1
79.05489	3.5
81.07050	3.9
84.22834	0.9
85.02893	2.9
85.37242	1.0
91.05482	27.1
93.07037	2.1
95.08604	2.8
97.02930	5.6
98.97578	1.4
99.10628	1.0
103.05472	3.7
105.07021	4.4
107.04950	1.5
107.08611	2.1
107.69911	1.0
109.06504	1.4
109.10174	1.8
111.54818	1.1
115.05487	1.0
117.06973	1.3
118.06548	3.4
119.04959	11.5
119.08576	3.5
120.08121	23.9
121.06462	2.2
121.10119	1.8
129.06976	3.0
130.06522	1.1
131.04929	2.9
132.04456	3.6
133.10144	1.6
134.06023	1.1
137.05981	46.7
137.09666	1.4
145.02834	1.4
145.10130	1.1
146.05969	6.3
146.09654	14.4
149.05969	1.3
149.13193	1.4
151.07544	1.2
156.34679	1.1
158.09698	1.6
160.03952	2.9
161.04707	1.6
163.03920	3.2
164.07085	2.7
166.05017	12.0
167.07016	1.4
175.14775	2.0
177.05482	2.7
177.16357	1.3
180.06554	19.1
181.70981	1.0
187.14857	1.2
190.43834	1.1
192.06619	1.7
192.10240	1.9
203.17949	1.4
204.06569	3.9
206.04501	54.5
208.06029	2.5
218.08191	2.5
220.06056	97.9
220.09529	2.7
222.07680	4.7
246.07715	1.4
248.03133	2.0
248.05588	28.9
262.07117	55.8
287.05450	1.3
336.44885	1.1
339.13513	1.3
342.09695	9.6
365.14938	2.9
371.12326	1.3
377.20969	1.0
384.10712	13.6
385.13925	2.7
397.13965	5.7
411.15552	13.3
415.15063	3.2
427.14767	1.2
429.16470	4.5
439.14923	2.5
457.10098	1.9
457.16113	29.2
471.17664	100.0
472.18027	2.5
499.17102	12.5
533.19257	2.6
593.21332	67.3
607.22931	1.7
635.21698	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32324	0.2
53.88113	0.2
59.59494	0.2
69.03454	0.2
71.52502	0.4
74.02435	0.5
85.02911	0.9
91.05482	0.6
97.02916	0.3
102.41584	0.2
115.05476	0.9
117.05779	0.6
117.06999	1.0
118.06551	13.9
119.06911	0.2
121.06521	0.7
130.06544	1.1
130.38940	0.2
132.08113	4.7
142.05528	0.3
142.06514	1.5
143.00175	0.2
143.07275	1.3
144.04469	0.5
144.08096	11.4
146.06021	55.8
147.06396	0.7
155.06035	0.2
159.07965	0.4
159.09200	5.7
160.07610	0.9
170.06010	4.2
188.07079	100.0
189.07463	1.0
205.09741	50.7
206.10107	0.7
236.30186	0.2
251.14857	0.2
313.28839	0.2
535.44061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15191	1.8
55.05509	6.9
67.05508	7.9
69.07078	4.9
69.80132	9.5
79.05499	7.0
81.07056	18.5
83.04543	1.6
83.04986	6.0
83.08616	5.7
84.70052	2.0
86.79164	1.6
89.03924	7.9
91.05472	8.3
93.07044	18.8
94.06171	1.7
95.04986	2.4
95.08622	20.5
97.02906	2.7
97.10187	3.0
98.97582	1.8
99.08095	2.9
105.07045	20.6
107.04967	3.8
107.08597	25.7
109.06532	2.4
109.10158	13.2
111.08098	2.2
117.03390	8.4
117.07005	2.9
119.08588	28.8
121.06499	1.6
121.10141	15.7
123.08075	2.1
123.11729	6.5
125.09632	5.8
129.06996	3.1
131.08575	16.5
133.10156	18.5
135.04411	20.3
135.08162	1.7
135.11720	7.8
137.05968	2.2
137.09610	1.8
143.08601	9.1
144.09358	2.4
145.02872	13.6
145.10138	25.1
145.38724	1.4
147.11694	14.5
149.13258	5.9
151.11209	2.8
155.08546	3.3
157.10126	8.5
159.11694	20.3
161.13255	9.6
163.03911	100.0
163.14847	4.5
169.10138	3.6
170.10942	3.6
171.11684	9.5
172.12471	2.0
173.09515	1.6
173.13278	14.0
175.14816	11.7
177.16396	3.6
181.04961	7.3
183.11684	4.4
185.13281	16.8
187.14818	27.3
189.16418	7.1
191.14346	3.0
197.13293	5.1
199.14798	15.8
201.16400	16.3
203.14305	8.0
203.17937	3.2
205.15817	7.7
209.13156	1.9
211.14844	6.7
213.16440	11.7
215.17975	5.1
217.15916	6.6
219.13797	2.4
219.17458	4.3
223.14738	1.8
225.16444	3.0
227.18024	3.9
231.17461	5.2
233.15233	3.9
236.58232	1.7
237.16380	1.8
239.17995	2.8
241.19543	2.7
245.15431	4.4
249.14938	6.4
253.19554	2.6
259.16968	3.7
265.19659	2.1
267.21048	2.4
267.81363	1.6
290.18683	1.6
291.20834	1.7
337.21332	1.7
337.25421	1.6
387.30353	5.1
393.27512	3.2
405.31583	29.3
407.33188	7.8
423.32843	12.4
433.31094	9.5
451.32086	19.1
469.33273	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	667.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.05513	13.6
56.57084	2.1
57.07068	4.2
61.02922	2.3
65.03921	2.7
65.68243	1.8
67.05501	15.3
67.58385	1.8
69.03422	4.9
69.07069	12.3
71.04990	2.5
71.59435	2.1
72.22377	1.6
75.16374	1.9
79.05494	15.5
81.03436	1.9
81.07069	36.7
83.04974	5.3
83.08622	15.9
85.02908	14.6
85.06554	2.0
89.03947	2.1
91.05486	26.2
93.07057	51.3
95.04951	6.7
95.08614	45.1
97.02883	8.1
97.06575	2.6
97.10180	2.4
99.08097	7.7
103.05505	4.4
105.07043	42.1
107.08604	79.7
109.02841	2.3
109.06504	5.3
109.10168	34.4
111.08062	10.4
114.03800	1.8
117.03373	3.5
117.07023	8.6
119.04945	4.0
119.08592	68.1
121.06523	5.3
121.10155	39.7
122.05994	2.4
123.08085	5.7
123.11715	15.1
125.09642	53.2
128.06160	2.8
129.06995	4.8
130.07822	2.2
131.04951	5.6
131.08583	32.2
133.08444	1.8
133.10155	43.7
133.47896	1.8
135.04480	2.8
135.08063	3.4
135.11713	16.8
137.05971	21.2
137.09615	6.8
142.07802	3.9
143.08578	18.2
145.02850	5.5
145.10130	53.6
147.04407	4.2
147.11719	25.3
149.09659	3.5
149.13283	11.5
151.03918	4.9
151.07585	5.2
151.11176	8.1
155.08557	5.0
156.09291	3.6
157.10123	22.7
158.11002	3.2
159.11714	43.3
161.13261	18.6
163.03889	2.4
163.07591	5.6
163.14868	5.5
165.05547	2.2
167.07094	3.1
167.08461	1.8
169.10173	9.3
170.10942	2.1
171.11722	21.2
172.12309	2.5
173.13297	35.3
175.14850	27.2
177.05495	15.5
177.09065	2.5
177.16411	8.4
181.04840	2.5
183.11731	13.1
184.12457	3.1
185.13272	31.2
187.14828	52.9
188.06786	3.1
189.16432	18.8
191.14320	7.5
191.17934	2.2
193.15904	4.6
195.11717	4.5
197.13275	11.7
198.14091	1.9
199.14850	42.9
201.12738	2.1
201.16400	41.8
202.21596	3.0
203.14383	15.1
203.17955	4.4
205.15866	13.1
207.11751	2.3
209.13405	4.0
211.14885	11.2
213.16405	35.7
215.14294	2.1
215.17979	6.4
217.15869	5.3
219.13885	4.2
219.17404	10.0
223.11925	1.9
223.14816	4.4
225.16353	6.3
227.17984	7.2
229.15875	2.3
231.17514	8.5
233.15413	7.7
239.17975	5.4
241.19513	4.1
245.15453	14.8
247.17009	4.5
249.14822	13.3
251.18076	4.5
253.19484	5.7
255.21088	3.2
259.16956	9.3
265.19614	3.9
267.21069	10.4
269.22418	2.3
270.73352	2.1
271.20599	2.6
275.06674	2.0
279.21091	2.8
281.22705	4.0
287.05585	2.9
287.20035	2.1
293.22623	2.6
299.20068	2.6
307.09729	2.2
311.13629	8.7
311.23792	2.4
313.21698	2.6
317.22662	2.8
325.21637	3.3
327.22980	2.5
339.23267	6.2
341.24701	6.9
349.11606	2.0
349.25235	2.3
360.10645	2.5
375.14557	2.8
387.30518	9.2
389.31918	2.6
393.27640	2.4
402.33844	2.0
405.31580	79.5
407.33301	20.1
421.30975	7.2
423.32520	18.3
429.07080	2.0
433.31058	53.4
439.32187	3.5
440.15366	2.4
451.32138	100.0
452.32324	2.6
468.18527	2.4
469.33200	75.0
471.17511	4.3
472.18274	3.0
487.34042	5.1
513.18909	3.5
591.25665	4.2
635.24884	63.8
636.24921	4.1
667.27435	25.9
672.05450	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	667.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67795	0.4
52.00041	0.4
56.96330	0.5
56.96569	6.4
60.85851	0.3
67.05498	0.6
67.19503	0.3
69.07080	0.4
70.35466	0.4
71.56508	0.5
71.56918	0.5
71.95240	0.6
72.96051	0.4
79.05486	0.4
79.29362	0.4
81.07031	1.2
85.02905	0.6
91.05443	0.7
93.07030	1.0
95.04967	1.0
95.08627	0.8
97.49637	0.4
98.10513	0.4
105.07005	0.9
109.10152	0.7
119.08566	0.7
121.06484	0.9
121.10157	0.6
131.08585	0.4
133.10088	0.7
147.03358	0.4
155.03795	0.7
161.04845	0.5
162.22638	0.4
163.03903	0.9
169.05377	0.6
173.04851	0.6
175.14832	0.4
187.06374	0.6
189.12758	0.4
195.07019	1.3
197.08455	0.8
199.06467	1.3
199.10071	0.6
201.07977	0.9
213.07979	11.5
215.09457	0.5
217.07391	0.8
217.11124	0.5
227.09566	0.7
229.07472	1.8
231.09056	8.5
236.09554	1.4
241.11052	0.6
243.09038	0.7
243.12891	0.6
247.08609	0.5
254.10637	0.7
261.10071	0.5
266.41840	0.4
269.10440	0.5
305.17981	2.0
307.19519	0.7
317.17834	2.5
321.17102	0.5
323.18933	3.0
333.17300	0.7
335.18942	19.6
336.19199	0.6
351.18420	4.3
353.19998	100.0
354.20209	0.9
357.19577	0.7
369.19522	1.0
371.21072	17.4
371.25797	0.9
376.21518	1.5
392.21008	0.4
394.22675	11.8
417.34784	0.4
445.36380	0.4
450.27328	0.4
496.57266	0.4
667.34039	0.9
667.44763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.05515	1.0
57.03440	0.5
57.07053	0.2
65.03934	0.4
67.05505	2.3
69.07076	1.0
71.73391	0.2
79.05498	2.8
81.07060	2.3
83.08635	0.3
84.90833	0.2
91.05483	2.1
93.07047	3.1
95.04993	0.4
95.08612	1.7
97.10159	0.2
105.07050	1.9
107.08606	1.4
109.06477	0.3
109.10191	0.5
117.07014	0.5
119.08595	1.2
121.10188	0.9
123.11703	0.2
129.06969	0.2
131.08588	0.7
133.10156	1.0
135.11736	0.5
145.10182	0.4
147.11723	0.6
149.13286	0.4
157.10147	0.4
159.11797	0.3
161.13315	0.3
161.35629	0.3
175.14909	0.3
259.20648	0.3
299.19833	0.7
303.15732	0.4
303.85147	0.2
317.20865	4.4
332.76471	0.2
333.24197	0.3
363.17697	0.3
371.07999	0.2
373.23499	4.6
597.37939	0.6
649.42645	0.3
667.45453	100.0
668.45807	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	667.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36567	0.5
50.37945	0.6
55.05503	1.2
57.03421	1.1
67.05511	2.9
69.07076	1.4
69.48618	1.7
69.49041	2.7
71.08618	0.6
79.05495	2.1
80.69302	0.5
81.07069	3.4
83.08624	0.9
91.05467	1.0
93.07043	1.6
95.08622	2.1
97.10154	0.7
98.20773	1.2
105.07035	1.0
107.08586	1.5
109.06506	0.6
109.10175	1.1
111.08141	0.6
119.08610	0.8
123.11731	0.6
138.97960	0.6
145.83244	0.6
168.07863	0.6
179.14314	0.6
196.55333	0.6
317.20975	2.0
333.20407	6.1
335.25784	0.9
373.23450	1.4
389.23077	1.9
499.51166	0.6
635.95990	0.6
667.45483	100.0
668.45819	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	667.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05500	1.1
57.03440	0.4
65.03918	0.3
67.05511	3.1
69.07061	1.2
71.08639	0.6
77.88272	0.3
78.95570	0.3
79.05498	2.7
81.07072	3.0
83.04971	0.5
83.08646	0.7
85.06516	0.3
91.05475	2.4
93.07056	3.8
95.04989	0.5
95.08607	1.5
97.06510	0.4
97.10207	0.4
98.21530	0.6
99.08097	0.4
105.07037	2.0
107.08623	1.4
109.10166	1.0
113.77830	0.3
117.07019	0.5
119.08601	1.3
121.06488	0.4
121.10160	1.0
123.11732	0.5
131.08588	0.7
133.10138	1.1
135.11725	0.7
143.14581	0.4
145.10194	0.5
147.11703	0.6
151.11188	0.4
159.11668	0.5
179.14352	0.6
202.15926	0.5
275.98383	0.3
315.19266	0.5
317.20895	9.0
373.23486	4.6
667.45483	100.0
668.45721	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	668.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96306	0.5
53.03952	0.9
56.96548	0.7
57.03440	4.3
58.26700	0.4
61.02918	1.7
65.03931	0.6
65.68719	0.5
69.03430	4.0
70.06596	1.7
71.04996	27.5
73.02919	0.8
75.04488	1.3
79.05504	0.6
80.04981	0.6
81.03429	1.4
82.06596	0.7
83.04971	2.0
84.08141	0.8
85.02908	34.7
87.04455	1.4
89.03918	3.9
91.05480	0.8
92.05000	0.7
93.07043	1.1
93.99503	0.5
95.05003	0.9
97.02899	9.9
98.97591	1.1
99.04467	0.9
107.04930	1.7
108.04476	1.4
109.02895	1.2
110.06053	6.2
111.04440	1.6
117.03391	4.6
120.04449	1.2
121.06489	3.5
122.06049	1.3
123.04430	1.4
124.03975	1.0
124.07597	1.0
125.04742	1.3
127.03926	1.3
129.05469	6.3
134.06039	1.0
135.04428	12.7
137.05928	0.7
138.05508	38.4
140.03441	0.6
140.07080	5.6
144.06570	0.7
145.02856	11.5
145.03990	0.6
147.06503	1.6
148.03952	2.8
150.05486	4.1
152.07103	1.7
153.04224	9.7
153.05429	1.0
158.99678	0.6
161.32188	0.5
162.05518	1.4
163.03912	100.0
164.04256	1.6
165.04242	0.8
165.05492	0.9
166.05020	1.5
168.06570	35.8
178.08640	1.5
180.06569	9.1
181.04962	3.5
198.07625	84.4
199.08148	0.5
219.01668	0.7
237.02856	0.5
265.07245	0.7
275.09656	1.4
307.08069	1.8
308.11353	0.9
314.12283	0.7
325.09210	22.7
344.13239	1.7
360.12759	1.4
374.23196	0.7
413.10962	1.1
514.16772	0.6
522.16095	24.2
523.16656	0.5
549.17957	0.8
650.19916	0.5
668.23767	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	668.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
57.03423	2.1
59.05025	0.3
61.02941	0.5
69.03424	2.5
71.04996	9.7
71.40240	0.5
73.02914	0.5
75.04481	0.5
79.05497	0.6
79.30579	0.4
81.03416	1.4
83.04979	0.4
83.44862	0.3
84.08125	0.4
85.02909	13.2
87.04477	1.1
89.03915	2.5
91.05480	4.2
93.07050	0.6
95.04974	0.5
97.02896	6.2
98.97600	0.5
99.04447	0.4
105.07024	0.7
107.04961	1.1
107.08577	0.5
109.02932	0.5
111.04417	0.7
115.05489	0.5
117.03394	3.5
117.07023	1.7
118.06551	1.0
119.04962	3.2
121.06522	2.0
122.06046	1.9
123.04448	0.4
127.03897	0.4
129.05458	1.9
132.08084	0.8
134.06038	2.5
134.09653	1.2
135.04416	8.2
135.06802	1.2
135.07976	0.5
136.07593	2.9
137.05966	0.6
137.08342	0.8
139.72964	0.3
144.08121	2.2
145.02855	8.7
145.04965	0.4
145.06505	0.7
146.06036	0.5
147.04424	0.6
147.06747	0.8
148.07545	0.8
149.08388	1.0
152.07069	0.8
153.04251	0.6
153.07864	3.4
154.08647	1.7
160.07635	0.7
161.05916	0.3
162.09154	19.5
163.03912	70.1
164.04199	0.8
164.07079	1.4
164.75801	0.3
166.08623	1.7
168.06563	4.2
169.37804	0.4
177.07870	1.2
178.08658	1.2
179.02428	0.4
180.06758	1.8
180.10202	29.8
181.04936	1.7
186.09123	0.9
192.10149	0.7
194.11800	1.0
195.22015	0.4
196.09625	0.4
197.10300	0.6
198.11266	100.0
199.11595	0.6
204.10271	2.6
208.09657	2.1
210.11273	1.7
220.09679	0.5
222.11272	4.3
234.11157	0.7
240.12390	3.2
248.09097	0.6
250.10515	0.4
264.12338	0.9
266.10263	0.5
290.13882	0.7
294.13416	0.4
302.72891	0.4
306.13361	2.7
307.08176	0.8
308.11523	0.9
308.14908	1.9
324.14401	4.6
325.09195	11.5
326.15903	2.9
342.15387	0.5
344.17105	3.8
360.16327	1.1
372.59381	0.4
470.19879	0.5
486.17294	1.4
504.18384	1.1
522.19733	19.5
551.21558	0.4
632.23364	0.4
650.23975	0.6
668.25232	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	668.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.15294	1.5
55.01856	2.0
55.05518	22.0
56.96580	2.3
57.03439	4.0
57.07082	14.5
61.44800	1.4
67.05511	21.2
69.03430	10.2
69.07073	53.8
71.05013	2.5
71.08617	9.9
71.58840	3.1
72.08139	1.7
73.02934	2.4
77.04041	1.5
78.70248	1.4
79.05494	8.1
81.03461	1.6
81.07062	66.5
83.04982	3.3
83.08626	48.9
85.02905	9.7
85.06541	7.4
85.10204	4.6
87.04467	5.2
91.05495	9.2
93.07056	23.6
95.08613	72.5
97.02893	33.6
97.06538	6.9
97.10176	26.4
99.04500	2.6
101.06020	2.6
103.05467	4.4
105.07024	13.6
107.08597	23.1
107.63751	1.4
109.06522	4.8
109.10165	48.0
111.08104	2.2
111.11720	20.2
115.03969	5.4
115.07555	8.7
117.06993	2.0
119.05003	3.3
119.08587	14.2
121.02892	1.8
121.06506	8.2
121.10156	19.6
123.08080	3.3
123.11716	28.4
125.09669	1.8
125.13286	9.3
127.07561	4.5
129.09164	3.7
131.04932	4.5
131.08585	4.5
133.05002	6.0
133.10141	13.0
135.08090	3.9
135.11697	18.7
137.06013	9.5
137.09601	5.8
137.13258	18.3
139.07622	1.8
139.14830	4.8
141.09137	4.8
145.02847	3.7
145.10144	6.5
147.04445	1.9
147.11690	14.6
149.09708	2.3
149.13275	10.8
151.03856	2.6
151.07602	1.8
151.11223	6.3
151.14827	8.1
153.09036	2.4
153.16350	2.6
155.10710	5.5
159.11703	6.5
161.13234	6.5
163.03862	1.9
163.11195	4.0
163.14929	4.0
165.12761	14.3
165.16420	4.7
167.03397	2.4
167.07088	2.0
167.10728	4.0
169.12193	8.1
171.13797	2.3
173.13297	6.7
175.14868	5.1
177.05574	4.0
177.12737	6.2
177.16406	4.5
178.05843	2.4
179.14368	6.4
179.17967	5.6
180.06575	4.8
181.12274	5.7
183.13774	11.8
187.14854	5.2
189.16377	3.0
191.14291	9.9
193.15968	3.8
193.19464	3.2
195.13782	13.4
197.15327	10.0
201.16411	4.7
203.17839	2.3
205.15918	3.8
207.17456	3.5
207.21072	3.7
209.15428	11.3
211.16980	6.6
215.18007	3.3
219.17479	2.1
221.19022	2.8
223.16963	4.9
225.18596	3.0
229.19559	3.0
237.18515	4.4
239.20100	7.4
245.08144	3.1
247.20610	5.6
251.20137	6.3
261.25824	3.4
265.21640	12.0
271.55023	1.6
285.25708	8.4
287.05569	4.1
303.26828	23.2
321.27893	65.8
339.28958	100.0
340.29102	1.8
407.33197	2.5
413.16876	1.8
433.63071	2.0
472.20645	2.6
668.25427	2.6
668.36469	2.0
695.36127	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46873	0.5
63.12251	0.5
67.05511	0.5
69.90925	1.8
70.65952	0.4
117.46887	0.4
150.18901	0.5
178.81523	0.5
271.05966	1.1
340.93564	0.5
669.39758	100.0
670.40405	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52702	0.3
54.05487	0.4
55.05505	1.0
67.05508	3.0
69.07065	0.7
69.86447	1.8
72.87316	0.3
73.45226	0.3
79.05493	1.7
81.07068	3.2
81.63681	0.4
83.08627	0.5
91.05490	1.6
93.07036	2.1
95.08608	2.4
98.20774	0.5
98.86835	0.3
104.54301	0.3
105.07037	1.5
107.08600	0.9
109.10169	0.9
119.08614	0.8
121.10132	0.5
126.51595	0.4
131.08571	0.6
135.11760	0.6
147.11621	0.5
149.13295	0.4
259.20755	0.3
317.21024	1.5
319.22495	1.4
321.76401	0.4
373.23721	2.2
373.95773	0.4
375.24811	1.8
669.47064	100.0
670.47040	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	670.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
57.03435	0.6
60.32502	0.3
62.25159	0.3
65.03946	0.6
65.28832	0.3
67.05504	0.6
68.99807	1.2
69.03429	2.0
70.11135	1.5
71.05009	1.0
73.73016	0.3
74.65065	0.3
76.91651	0.3
77.03902	0.5
77.25082	0.3
79.05505	1.1
79.48941	0.3
81.03451	1.1
83.04986	0.8
85.02917	2.4
89.03909	2.2
91.05495	1.0
93.03419	0.9
95.04987	1.7
97.02901	4.9
97.06564	0.6
105.03388	0.4
107.04954	1.7
109.02899	0.5
109.06542	0.8
110.03683	0.5
111.04458	2.9
113.03284	0.3
117.03394	3.3
121.02895	0.6
121.06525	1.0
123.04446	4.5
125.06004	25.9
126.06326	0.4
133.02858	0.5
135.04425	7.0
137.05986	7.5
139.03918	1.4
145.02849	8.0
149.05942	0.7
151.03923	10.6
151.04977	0.5
152.04730	1.8
153.05479	47.8
154.05803	0.7
163.03920	100.0
164.04253	1.2
165.04172	0.5
165.05496	9.3
167.07054	9.1
181.04988	2.5
183.06544	74.4
184.06831	0.7
207.06467	0.4
291.08832	0.5
307.07910	1.0
311.11078	0.8
325.09210	20.3
326.09570	0.5
342.04379	0.4
507.15048	2.0
508.21002	0.3
534.91284	0.3
627.75037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99753	0.1
53.03939	0.2
57.03433	0.3
63.02362	0.3
66.97118	0.2
69.03420	0.6
69.47676	0.7
69.48090	0.3
70.06605	0.3
70.50723	0.1
71.04996	1.0
77.03924	0.2
79.05482	0.7
79.88414	0.1
81.03412	1.2
83.04987	0.7
83.26186	0.1
84.08163	0.2
85.02905	2.0
89.03407	0.3
89.03921	3.7
89.04472	0.2
91.05477	0.7
95.04984	0.3
97.02888	0.9
98.21516	0.2
98.38754	0.2
99.04494	0.1
103.05439	0.2
105.03366	0.2
107.04964	1.6
109.02897	0.7
111.04449	0.6
117.03381	4.8
121.06509	0.4
123.04420	0.8
125.05998	3.7
127.03913	0.4
129.05473	0.2
130.75589	0.1
135.04419	11.0
137.05981	2.1
139.03915	0.4
145.02853	9.8
149.05913	0.2
151.03914	2.1
152.04688	0.6
153.05475	7.7
163.03909	100.0
164.04297	0.8
165.05487	3.2
167.07043	8.3
175.07611	0.2
177.05473	0.5
178.75935	0.1
181.04965	3.4
183.06537	18.1
184.07007	0.2
186.05499	0.2
194.08150	0.2
207.06546	0.2
250.47400	0.2
273.07697	0.2
289.07413	0.2
291.08362	0.2
307.08154	1.8
309.09750	1.5
325.09171	5.5
327.10562	0.2
345.11737	0.6
490.17899	0.2
507.14850	0.5
541.43555	0.2
560.20062	0.2
620.49030	0.2
670.22845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
56.53213	0.5
65.03941	1.2
67.05521	1.2
68.99799	1.6
69.03440	2.5
70.24477	1.4
71.05009	1.3
75.12037	0.5
79.05494	1.7
81.03414	0.7
83.04988	0.9
85.02921	3.3
89.03906	2.3
91.05473	1.9
93.03401	1.4
95.04976	1.9
97.02896	10.3
97.06548	1.3
102.71063	0.5
107.04967	2.3
109.02837	0.8
109.06496	1.2
109.76202	0.4
110.03647	0.7
111.04443	3.1
117.03408	4.8
119.04967	0.6
121.02856	0.8
121.06490	1.4
123.04427	6.1
124.05238	0.4
125.05997	30.4
126.06297	0.5
133.02809	1.0
135.04433	9.2
137.05984	11.8
139.03896	1.6
145.02852	11.1
149.06020	0.8
150.11052	0.5
151.03915	11.8
151.05077	1.0
152.04654	2.6
153.05470	59.2
163.03911	100.0
164.04265	1.1
165.05490	15.4
167.03418	3.3
167.07042	13.4
169.06454	0.7
175.07487	0.8
175.98409	0.5
177.05466	8.1
181.04965	1.4
183.06537	97.0
184.06987	0.8
207.06425	0.5
219.10222	1.8
220.10490	1.2
227.07172	0.5
231.68088	0.5
245.08090	1.1
291.08524	2.9
307.08203	0.7
309.09714	1.6
325.05667	0.8
325.09177	10.2
345.11807	0.7
375.98383	0.5
444.66498	0.5
507.14865	2.8
514.07190	0.6
637.35138	0.7
670.24347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.26554	0.1
54.15728	0.2
55.63021	0.1
57.03438	1.9
61.38784	0.2
63.02402	0.2
69.03428	1.6
69.26073	0.4
69.26479	1.3
71.04996	9.8
73.02913	0.3
73.96514	0.2
75.04458	0.4
76.19871	0.2
79.05479	0.5
81.03404	0.6
83.04973	0.7
85.02908	9.8
87.04487	0.3
89.03911	2.1
90.20280	0.1
91.05489	0.4
95.04971	0.2
97.02901	4.3
98.12407	0.2
98.20802	0.5
99.04471	0.6
101.02426	0.2
104.07087	0.2
105.03375	0.3
107.04984	1.0
109.02896	0.3
109.06514	0.2
109.76323	0.2
111.04449	0.4
117.03399	2.9
123.04431	1.5
127.03918	0.3
129.05481	3.0
133.02858	1.0
135.04422	8.5
137.05981	0.6
145.02849	7.4
145.04002	0.3
147.06526	1.0
150.05489	0.2
151.03928	2.1
152.04646	0.2
153.05466	3.7
156.56752	0.2
161.06038	0.3
163.03911	100.0
164.04248	0.9
165.05437	1.2
167.03368	0.3
167.07050	1.1
175.03879	0.5
177.05463	0.2
179.07146	0.3
181.04988	2.0
183.06546	2.4
189.05559	0.4
195.06526	0.2
207.06535	2.2
211.06276	0.2
215.07135	0.2
219.06522	0.3
231.06467	0.3
247.09709	0.3
249.07602	0.7
258.09045	0.2
265.07013	0.2
273.07608	0.3
275.09055	0.4
291.08594	0.6
293.10175	0.8
307.07990	0.8
309.09747	1.1
311.11160	0.7
325.09189	15.4
404.64417	0.2
445.63504	0.2
471.14050	0.2
489.13815	0.8
519.00311	0.2
533.26447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
51.96171	0.2
53.03943	1.2
54.27077	0.2
55.01879	1.7
56.96586	0.2
58.99593	1.2
65.03936	0.2
65.06719	0.2
69.03442	0.3
70.75460	0.4
70.75809	0.3
77.03940	0.5
79.05509	0.3
81.07070	0.3
83.04987	1.4
85.02934	0.5
86.99056	1.0
91.05483	6.0
93.07052	5.4
95.04974	1.4
95.08620	0.4
97.02892	0.3
103.05472	2.0
105.00098	0.6
105.04510	0.5
105.07019	0.3
111.08075	1.0
115.03919	0.3
119.08596	0.8
120.08106	0.3
121.06516	16.1
121.10150	0.6
123.08004	0.3
127.03905	0.2
131.08647	0.2
132.04468	0.4
135.08067	0.2
135.11734	0.2
137.06067	0.2
137.09705	0.2
139.07552	0.3
139.83925	0.2
145.10107	0.2
147.08046	0.5
149.05991	100.0
150.04301	0.4
150.05478	7.3
159.11696	0.6
163.03951	0.3
163.11194	0.6
164.07080	15.9
165.07353	0.2
165.09166	0.4
172.08855	0.4
176.07092	2.0
177.00826	0.2
177.79709	0.2
181.12213	0.3
187.11186	0.5
190.08647	6.5
197.19034	0.4
205.12253	33.6
206.12601	0.4
223.13393	1.0
230.44229	0.2
234.07611	0.3
252.03316	0.7
254.04826	1.2
266.04855	3.3
268.06403	14.1
269.06549	0.2
270.11285	1.9
296.12787	0.4
324.11453	0.2
327.12650	0.2
332.82852	0.2
372.08905	0.5
374.10599	12.0
391.91071	0.2
416.11688	0.3
448.14209	0.4
472.17886	2.9
476.17661	0.3
490.18994	4.1
578.22095	2.8
596.23138	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	670.401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18723	2.1
53.18349	2.1
55.05511	28.4
55.07379	2.0
56.87363	2.2
56.96156	1.9
56.96570	2.0
57.03434	9.3
57.07080	11.3
59.98774	2.1
61.02922	25.1
67.05507	36.3
69.03430	3.6
69.06719	3.2
69.07071	44.5
70.94124	5.4
71.05012	3.8
71.08622	12.1
73.02912	11.5
75.04485	2.3
76.69319	2.0
79.05510	15.6
81.03412	3.7
81.07060	56.1
81.98573	2.3
83.04990	3.3
83.08619	44.7
85.02905	37.1
85.10181	5.3
91.03960	25.9
91.05487	4.1
93.07051	22.8
95.08611	44.7
95.09196	2.2
96.52756	2.2
97.02881	17.4
97.06546	12.0
97.10173	27.5
107.08605	22.3
109.10180	18.5
111.08089	7.2
111.11699	6.5
121.06538	3.5
121.10145	45.9
123.11721	15.1
125.09615	4.1
127.03912	10.2
135.11693	37.9
137.12270	2.3
137.13254	11.5
139.11188	5.7
141.12779	2.5
145.04970	14.0
149.05998	10.1
149.13268	14.5
153.12802	4.0
163.03906	3.5
163.06032	26.2
163.14839	7.3
177.16438	2.9
184.07327	3.9
219.21088	46.2
237.22137	96.9
255.23177	29.1
268.06491	3.0
301.67752	2.4
311.25797	100.0
329.26849	85.5
358.16556	2.7
473.30969	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	672.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.01868	0.4
57.03435	1.4
61.68932	0.3
64.88607	0.3
66.15028	0.3
69.03432	1.6
70.67892	0.5
70.68256	0.6
71.05000	9.6
79.05492	0.8
81.03413	0.9
83.04979	0.9
84.08171	0.4
85.02913	10.4
87.02723	0.3
87.04474	0.6
89.03923	1.9
91.05475	0.3
93.07034	0.5
97.02898	3.4
99.04450	0.7
103.05457	0.4
106.31644	0.3
107.04959	2.9
111.04451	0.4
117.03392	3.1
121.06513	2.3
123.04441	0.5
125.06047	0.4
127.03937	0.4
129.05492	3.7
129.19904	0.4
131.76996	0.3
135.04434	9.8
137.06006	0.4
141.75005	0.3
145.02861	7.2
147.06548	1.6
153.05516	2.5
157.98744	0.3
160.87088	0.3
163.03915	100.0
164.04280	0.8
164.09161	0.3
165.05489	0.4
177.05487	0.3
181.04974	1.4
291.08679	0.7
300.34134	0.3
307.08078	0.6
309.09619	1.5
325.09207	18.3
459.12448	0.6
471.14798	0.6
556.31451	0.4
667.38422	0.3
672.26166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
53.96010	0.3
55.01862	0.4
55.05302	0.4
55.05510	3.9
57.03439	3.7
57.07079	38.1
61.02930	14.1
62.08326	0.3
67.05508	9.2
69.03429	2.1
69.06729	0.4
69.07074	6.8
71.04990	0.4
71.08634	31.9
71.59047	0.4
73.02921	6.2
75.04482	1.8
79.05501	0.9
81.03415	0.9
81.06580	0.8
81.07059	16.3
83.08621	12.2
85.02911	18.8
85.06537	0.7
85.10184	18.6
89.06031	1.2
91.03404	0.7
91.03960	14.2
93.07046	1.0
93.60057	0.3
93.71423	0.3
95.08611	24.1
97.02900	8.9
97.10176	6.4
99.04426	0.7
99.08113	0.4
99.11724	1.6
103.07607	0.6
109.02869	0.6
109.10159	11.5
111.11725	1.4
112.39593	0.4
115.03928	0.7
121.10116	0.4
123.11703	5.8
125.13280	0.9
127.03923	5.9
137.13293	2.3
139.14862	0.6
145.04955	7.8
151.14766	0.6
163.06018	14.1
165.16466	0.5
195.52037	0.3
221.22653	1.1
239.23709	21.8
257.24774	4.4
298.27521	0.4
299.67538	0.4
313.27374	100.0
314.27734	1.2
316.09399	0.5
331.28430	45.9
408.70493	0.4
452.39441	0.4
454.54193	0.4
475.32526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
53.10957	0.4
55.05512	4.1
57.03195	0.5
57.03445	3.9
57.07081	32.9
61.02930	11.9
67.05168	0.6
67.05506	8.4
69.03424	1.6
69.06731	0.4
69.07078	6.4
69.62788	1.1
69.63197	1.3
71.05002	0.5
71.08637	26.1
73.02925	4.5
75.04486	2.7
80.05032	0.4
81.03412	1.2
81.07066	14.2
83.08624	9.7
85.02911	14.7
85.06542	0.7
85.10188	16.7
89.06022	1.3
91.03963	12.3
91.05494	0.6
92.69706	0.4
93.07041	1.1
95.08617	21.9
97.02911	6.6
97.10177	4.5
98.21412	0.9
99.04436	1.1
99.08103	0.4
99.11732	1.2
103.07594	0.5
105.95334	0.4
107.08622	0.7
109.09460	0.6
109.10173	10.9
111.11697	1.8
115.03941	0.8
121.06508	0.6
123.11710	4.4
125.13283	1.1
127.03930	4.4
135.11719	0.4
137.13234	2.4
140.48784	0.4
145.04974	5.8
151.14819	0.6
154.93950	0.4
163.03941	0.5
163.06020	9.5
165.16374	0.5
220.45430	0.4
221.22682	0.8
239.23723	19.6
257.24814	5.3
298.27542	0.6
313.27383	100.0
314.27780	1.7
331.28455	35.2
332.28970	0.5
401.28857	1.0
412.23105	0.4
434.17496	0.4
457.31622	0.5
475.32898	2.8
702.62164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82404	0.2
57.31175	0.2
68.05037	0.3
69.03429	0.6
69.05823	0.2
69.07070	0.2
69.22101	0.4
69.22525	1.6
70.06595	100.0
71.06925	0.4
81.03411	1.1
85.02905	0.3
91.05499	0.3
93.07073	0.3
93.21902	0.2
97.02904	1.3
103.05465	0.2
109.02888	3.7
112.07610	85.4
113.07919	0.3
114.05555	0.4
116.07108	2.0
121.06529	0.3
121.10060	0.2
127.03915	0.5
137.05980	1.3
140.07071	55.8
141.07458	0.2
145.02817	0.2
147.04324	0.2
151.07588	0.7
158.08142	9.2
163.03862	0.2
167.03461	0.3
169.09743	0.2
175.07613	0.3
177.05493	0.6
180.06625	1.1
189.09108	0.5
201.09061	0.2
212.09137	0.6
230.10168	1.0
242.10204	0.6
266.10251	3.8
277.11929	0.2
284.11292	9.6
293.11353	0.2
302.12360	2.2
319.12964	0.3
337.14157	0.3
478.21786	1.8
494.21472	1.5
600.25037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54134	1.6
69.54560	1.7
71.04992	0.5
73.56746	0.4
84.04478	2.3
85.02888	0.5
91.05476	0.5
94.93559	0.5
98.20757	0.9
130.05058	0.6
137.05934	0.5
150.35992	0.4
153.05565	0.5
163.03943	1.1
167.03113	0.5
169.81274	0.4
177.05493	0.6
187.03722	2.7
205.04773	0.9
233.04298	0.9
237.74596	0.4
239.32213	0.5
289.95245	0.5
349.09073	1.2
365.08380	0.5
501.13864	1.2
529.13281	6.0
545.26624	0.5
647.19556	0.8
675.18976	100.0
676.19373	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	675.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61108	0.3
71.05016	0.5
71.58090	0.3
77.60780	0.3
78.32764	0.3
78.42007	0.4
79.04849	0.3
83.04943	0.4
84.04492	1.1
85.02882	0.3
96.86846	0.3
97.02846	0.4
122.74403	0.4
124.96516	0.4
137.05992	0.5
163.03903	0.8
177.05559	0.6
187.03674	2.6
189.05203	0.5
205.04715	0.7
233.04204	0.8
335.06064	0.3
349.08978	0.8
365.08371	0.4
479.17438	0.6
501.13867	0.9
511.14001	0.7
529.13153	5.3
647.19543	0.8
675.18958	100.0
676.19299	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92140	0.2
56.50275	0.3
64.31834	0.3
69.03425	0.6
69.52469	2.1
71.04986	0.7
79.05480	0.8
81.07058	3.9
82.07370	0.6
83.04971	0.8
85.02915	2.0
88.67106	0.3
91.05487	0.5
93.07040	1.0
97.02909	0.8
98.20888	0.8
98.21475	0.6
119.04962	0.6
121.06495	0.3
127.03911	0.5
133.10172	0.4
145.04980	1.0
147.04401	4.3
148.04778	0.5
151.11206	0.4
153.12758	0.4
163.03900	0.4
165.05487	2.8
166.05873	0.6
185.04224	15.0
187.03674	4.3
254.78339	0.3
319.08105	0.4
349.08948	100.0
350.09393	0.7
418.33960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07877	0.3
62.13482	0.3
70.67931	0.3
71.05775	0.3
71.28307	0.7
79.05490	0.4
81.07064	0.5
91.05467	0.5
93.07037	1.0
94.06580	1.4
95.07368	0.9
96.08126	1.8
97.02901	1.0
106.96302	0.3
108.08118	2.4
109.35889	0.3
110.09676	2.9
114.63779	0.3
115.85252	0.3
120.04486	1.3
120.08115	2.0
121.06554	0.4
122.06039	0.6
122.09677	0.4
123.71018	0.3
124.07595	0.8
136.07600	2.2
137.06023	0.4
138.09166	5.1
144.04504	0.5
145.57051	0.3
146.06015	0.5
148.07607	0.9
150.09151	0.4
152.07101	0.7
152.10728	0.5
159.11795	0.3
160.03816	0.4
162.05501	0.6
163.03932	1.2
164.07066	0.8
166.08649	6.5
169.06438	0.3
172.03944	3.0
177.05397	0.4
180.06554	0.4
180.10194	0.5
190.05031	0.7
192.10258	0.6
194.08202	0.8
196.09720	0.7
197.10710	0.5
201.16510	0.4
204.06572	5.5
209.10786	0.4
211.08739	0.4
212.09555	0.4
223.08582	0.4
224.09506	0.5
225.10274	1.3
226.10883	0.3
227.11899	1.0
228.31944	0.3
235.08632	0.4
236.09334	0.4
237.10252	2.6
238.10873	0.4
239.08127	0.5
239.11873	1.4
241.09727	0.5
248.09349	0.6
249.10257	1.8
251.08191	1.2
251.11842	2.9
252.09045	0.4
252.12621	0.6
253.09641	1.9
255.11375	0.3
261.10345	0.9
262.11105	0.3
263.11865	1.1
265.09695	3.4
266.10480	0.6
267.11340	2.3
269.12802	0.9
271.10855	1.4
273.12515	0.4
277.06793	0.4
277.09677	0.5
278.10413	1.5
279.07733	2.2
279.11340	3.6
280.12128	1.4
281.09317	1.0
281.12900	1.3
282.10016	0.7
283.10797	2.7
284.11560	0.4
285.12433	1.1
287.13818	2.4
289.09772	1.6
291.11359	1.3
293.09280	1.2
293.12894	2.2
294.10013	2.3
295.10855	1.5
295.13867	0.3
296.11594	1.3
297.09290	0.4
297.12378	1.7
299.10239	1.1
306.09821	0.8
307.10855	1.2
308.11542	0.5
309.12332	1.6
311.10312	3.7
311.13986	1.0
312.11230	1.7
313.11743	1.6
314.12793	0.6
315.13712	0.4
321.12396	0.7
323.10367	1.0
323.13922	0.7
324.11029	1.0
325.11942	1.7
326.12683	2.4
327.13428	4.8
335.10147	2.9
337.11993	0.9
339.13416	23.2
340.10510	0.4
340.14145	0.6
342.16153	0.4
343.13095	0.5
352.10645	0.5
354.12250	1.8
355.12915	6.7
357.14536	1.6
367.12915	12.3
370.15488	0.4
371.12274	0.8
371.16483	0.7
372.13492	0.4
384.13208	0.5
385.14041	0.4
386.14798	1.1
387.15549	1.1
398.15106	0.7
399.15555	4.6
400.16589	0.4
404.16348	0.6
416.15714	0.7
428.15863	0.6
436.18912	0.4
446.16989	0.7
447.18011	0.7
450.20670	0.4
452.21680	0.6
458.17218	1.2
459.34262	0.4
460.18652	0.9
474.20224	0.4
478.19992	0.3
479.20636	2.4
480.21225	0.4
488.18274	1.3
490.19797	0.6
492.21204	2.4
502.19583	0.6
520.20844	6.7
552.23438	100.0
553.23950	3.2
611.25012	5.0
615.73584	0.3
643.27496	1.4
675.24890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.9
65.03930	1.7
67.05515	1.6
68.94376	0.6
68.99783	2.5
69.03428	1.2
69.84391	3.9
70.06590	1.9
72.08156	1.2
79.05479	3.1
81.03418	1.4
81.07047	2.6
84.08133	1.8
85.02901	1.4
91.05497	4.2
93.03409	2.3
94.61692	0.8
95.01323	2.1
95.04977	2.9
97.02908	7.3
98.21513	0.8
107.04968	3.6
109.06506	1.8
111.03782	0.7
111.04436	4.4
119.04930	2.8
121.02874	12.5
121.06535	1.4
122.03638	2.6
123.00813	8.6
123.04441	2.5
125.06091	0.9
135.04420	4.8
137.05992	40.8
139.03932	5.0
141.01825	2.1
145.02858	3.1
147.04414	2.8
149.02356	33.4
149.05876	0.8
151.03975	1.0
151.07564	1.2
153.04308	1.4
153.05479	15.2
155.03406	2.7
156.06790	0.8
160.41246	0.7
161.05949	0.8
163.03920	9.8
165.05492	100.0
166.05855	0.8
167.03416	20.1
167.07062	2.3
177.05431	5.0
179.07062	1.6
180.06573	2.7
181.04973	79.0
183.06534	1.1
189.05370	0.7
191.03416	24.5
193.05009	0.8
194.08124	0.8
195.06619	1.2
195.21204	0.6
197.08153	1.9
205.05023	3.3
209.04469	21.8
209.07767	0.9
220.06071	2.7
223.06030	69.9
224.06496	1.1
227.05388	1.0
235.06006	2.1
241.07047	8.8
242.67342	0.7
247.06129	1.1
251.05539	3.3
262.07092	1.6
265.07092	19.4
265.09863	1.3
269.06631	1.6
283.08136	38.1
291.13342	0.8
299.09180	0.8
301.09271	3.9
313.07050	1.7
327.08609	1.5
333.14536	0.9
345.09738	2.7
355.08191	1.7
359.11063	1.8
360.15213	1.0
363.15573	1.0
369.09540	1.5
373.09244	2.4
387.10721	2.9
405.11841	2.7
447.12738	3.8
480.19620	6.6
602.23138	0.8
676.27533	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	676.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.9
55.01873	0.7
65.03938	2.0
67.05506	1.7
68.99804	2.8
69.03432	0.9
70.06587	4.7
71.04988	0.6
71.59229	0.8
72.08153	0.6
79.05497	4.6
81.03422	1.5
81.07053	2.8
81.83247	0.6
83.05016	1.6
83.17753	0.6
83.39664	0.7
84.08152	0.8
85.02936	2.0
89.03947	0.7
91.05494	5.6
93.03418	2.5
93.07050	0.6
94.04211	0.6
95.01324	3.4
95.04981	3.3
97.02898	6.5
103.03987	0.9
105.07089	0.8
107.04962	3.8
107.08639	0.6
109.06537	1.4
111.04453	4.8
112.07642	0.7
119.04973	2.3
121.02876	14.7
121.06530	1.7
122.03710	2.8
123.00793	10.4
123.04449	2.5
126.12833	0.8
127.03913	0.7
132.04410	0.6
135.04425	6.6
137.05984	43.9
139.03902	5.7
140.04689	0.8
141.01849	3.8
145.02849	2.1
147.04431	3.6
149.02351	38.7
150.03101	0.8
151.03908	1.7
151.07521	1.6
153.04303	1.2
153.05481	17.8
155.03404	3.0
156.06436	0.9
163.03922	10.5
165.05489	100.0
166.05756	0.8
167.03415	21.5
167.07019	4.7
173.02368	0.8
177.05524	4.5
179.07008	1.5
180.06543	2.0
181.04965	91.4
182.05336	0.8
187.03906	0.6
189.05412	1.2
191.03410	30.9
195.06578	1.5
197.08124	1.5
201.09741	0.9
203.07011	0.8
205.05017	3.2
209.04457	24.6
215.03511	0.9
220.06081	0.8
223.06024	78.8
224.06252	0.8
227.05466	1.0
235.05943	1.4
239.14886	0.7
241.07088	9.7
247.05994	1.4
251.05530	3.8
253.08539	0.8
257.16058	1.3
265.04276	1.3
265.07074	20.6
267.06473	1.4
269.06570	2.6
277.07047	0.9
281.08047	0.7
283.08148	46.7
285.07587	1.5
299.09076	1.2
301.09186	4.8
313.06973	1.8
325.47885	0.6
327.08624	2.5
343.11761	0.8
345.09723	3.7
355.08084	1.9
359.11209	1.3
369.09924	1.2
387.10513	4.2
405.11606	2.1
436.21640	0.9
447.12967	4.9
478.23047	1.7
480.19543	1.7
496.23563	2.4
676.27466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01866	7.9
55.05306	3.1
55.05516	36.8
57.03438	20.0
57.07071	3.7
65.03938	5.2
67.05509	78.0
67.05874	4.0
69.03432	8.2
69.07074	24.9
71.04993	5.7
71.09643	3.6
75.83997	2.7
79.05499	66.4
81.03413	12.9
81.07062	73.7
83.04981	7.0
83.08627	20.0
85.06544	8.0
89.35906	2.5
91.05488	46.4
93.07054	61.3
95.01352	4.6
95.04997	18.7
95.08615	52.3
97.06535	25.4
97.10174	13.8
97.54131	2.5
99.08070	2.9
103.05467	3.5
105.07039	32.7
107.04958	21.5
107.08595	36.8
109.02913	3.7
109.06545	21.8
109.10172	24.8
111.08086	4.9
113.06004	3.8
115.05450	3.8
117.07028	12.9
119.08584	24.7
121.02908	17.3
121.06493	19.3
121.10158	25.7
123.04407	4.3
123.08083	14.5
123.11710	7.0
125.05995	8.3
125.09641	11.9
128.06259	3.5
129.06993	9.5
131.08563	23.6
133.06445	3.4
133.10146	14.7
135.08061	16.8
135.11674	12.6
137.09612	2.9
142.07861	2.5
143.08566	5.1
145.06483	4.4
145.10124	11.5
147.08058	6.8
147.11685	11.9
149.05994	4.2
149.09630	7.3
149.13232	4.3
157.10153	5.6
159.08069	29.5
159.11699	8.0
161.09592	5.4
161.13271	4.9
163.07550	8.8
163.11188	6.6
165.12732	2.9
171.11668	4.4
173.13289	3.7
175.11243	3.9
177.09224	4.5
184.07355	4.6
187.14807	4.6
189.11232	8.7
191.10843	2.9
193.12263	7.3
201.16257	3.0
215.14404	3.7
219.13850	10.7
221.11697	5.3
227.12741	9.1
233.15462	19.5
237.14760	3.3
241.14474	5.5
241.19649	3.4
247.13286	6.8
251.16367	4.3
253.15800	4.9
261.18576	5.7
261.22113	7.9
267.15942	6.9
271.16989	20.8
289.17966	43.7
307.18997	15.0
313.16293	3.8
333.24374	2.8
335.25824	100.0
363.21799	13.8
381.22839	10.8
440.40714	2.5
527.36664	3.1
581.38715	2.8
623.43127	12.7
641.44421	12.8
676.25970	3.8
676.43304	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	676.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64773	2.7
53.03942	5.7
55.01876	6.8
55.05518	33.7
57.03436	9.7
57.07075	3.6
60.08138	6.9
60.99463	2.8
61.51872	2.9
67.05511	62.6
69.03429	11.1
69.07065	35.7
69.57953	18.2
70.15969	2.8
71.07355	3.3
79.05499	51.6
81.03429	7.1
81.07067	48.9
83.04984	5.9
83.08614	13.6
85.06532	4.2
86.09711	27.9
91.05495	56.2
93.07048	46.5
95.04948	9.9
95.08619	27.5
97.02903	11.1
97.06533	6.6
97.10178	20.3
99.08102	3.0
105.07042	51.0
107.04967	6.7
107.08602	31.1
109.06493	3.3
109.10139	15.5
110.26421	2.7
115.05437	3.6
117.07014	18.7
119.04979	3.1
119.08597	41.1
121.06471	4.3
121.10139	17.8
123.08080	3.7
123.11675	3.1
125.00024	22.8
125.09667	14.5
127.07050	3.0
129.06990	10.7
131.08588	23.6
133.06514	4.8
133.10149	30.4
134.07062	3.1
135.08086	6.9
135.11702	12.5
136.06250	4.4
137.09660	3.7
143.08577	14.1
145.10129	22.1
147.08064	7.2
147.11703	25.1
149.09621	6.1
149.13312	9.9
155.08549	5.4
157.10168	8.9
159.11711	13.0
161.09608	2.8
161.13289	13.6
163.14828	3.7
169.10139	3.8
171.10307	3.7
171.11699	12.1
173.13234	10.2
175.14856	4.7
179.10570	4.6
183.11710	4.1
184.07356	100.0
185.13257	10.6
189.11217	6.3
197.13318	4.8
199.14809	4.8
209.13206	4.5
213.16328	7.3
223.13330	24.3
227.12810	10.8
237.86789	3.4
241.19612	19.3
247.59720	2.9
259.20581	39.7
273.18488	12.2
291.19574	88.1
300.78241	3.1
315.23230	7.0
333.21008	3.5
333.24359	42.1
365.23355	25.1
365.72519	3.4
467.03555	3.4
525.35059	6.0
529.97455	2.9
543.36414	5.1
605.42273	5.4
623.42914	26.2
658.90344	3.3
676.45056	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	677.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03935	1.0
54.36728	0.2
55.01866	0.5
55.05496	0.9
57.03416	0.3
59.01371	0.3
65.03947	0.3
66.04716	0.5
67.05502	0.4
69.03431	0.6
71.04985	0.6
71.18782	0.2
72.41931	0.3
77.03931	0.5
79.05126	0.3
79.05504	3.7
81.03407	0.8
81.07057	0.7
83.04985	4.8
85.02895	0.4
89.03925	3.1
91.05479	1.6
94.04196	0.7
95.04962	1.1
97.02885	0.9
98.21538	0.5
99.04451	0.6
105.03379	1.4
105.04490	0.6
107.04971	1.2
109.02882	0.7
109.06525	2.1
111.04437	2.4
111.58999	0.2
117.03382	3.7
119.04963	0.7
121.02830	0.4
121.06506	0.6
122.03640	0.9
123.04408	1.2
127.03870	0.3
133.02849	1.8
135.03384	0.5
135.04425	8.4
137.05972	3.5
139.03873	0.4
141.06960	0.4
145.02863	5.8
145.03993	0.5
147.04413	0.9
151.03915	4.0
157.06465	0.3
163.03915	42.7
164.04254	0.4
165.05479	100.0
166.05894	0.9
167.07002	0.4
169.06493	0.3
175.03935	0.8
177.05464	0.5
179.07024	0.4
181.04959	0.5
183.06546	0.4
185.05975	0.4
189.05505	0.5
193.05009	1.0
197.06088	0.3
203.03424	0.3
207.06534	1.0
221.08240	0.3
225.05470	0.5
225.07520	0.5
227.07172	0.2
229.08667	0.2
231.06465	0.5
233.08096	0.6
243.06531	1.1
257.08054	1.6
261.07654	1.1
267.06631	0.5
273.07553	0.4
275.09140	5.4
279.08667	0.5
285.07620	0.5
291.08914	0.3
293.10004	0.2
299.09286	0.4
307.08127	0.4
317.10229	0.9
325.09302	0.7
353.12332	0.3
369.09888	0.5
489.13751	0.4
531.14752	0.7
677.20990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87798	1.3
61.01162	2.1
61.56649	1.2
67.05500	2.5
69.03445	2.2
69.07084	1.3
70.06602	10.9
71.58328	1.8
72.08144	1.6
79.05504	2.4
81.03419	2.3
81.07067	2.4
82.06594	2.0
84.08154	3.2
85.02930	2.7
85.06540	1.6
86.09708	2.7
89.03927	2.0
91.05495	5.6
93.07083	4.7
94.06582	6.8
95.05012	2.1
95.07362	2.2
95.08616	1.9
96.08133	7.0
97.02905	9.6
97.06526	1.5
98.06110	1.5
98.21415	1.3
98.97459	1.1
103.05491	2.5
105.07032	2.0
106.06554	2.0
108.04489	1.8
108.08117	9.3
109.02865	1.5
110.09704	13.2
112.07620	4.4
116.04982	2.4
117.03404	3.8
119.04957	3.0
120.04474	2.2
120.08112	10.2
121.06503	6.5
122.06017	6.7
124.07602	10.5
131.04915	2.1
134.06068	3.6
136.07576	11.5
137.05972	8.1
138.09152	12.2
140.07095	3.3
144.04462	6.4
145.02881	11.8
146.06026	6.9
147.04482	2.9
147.11665	1.5
148.07603	5.5
149.05974	1.5
149.09702	1.4
150.05542	1.5
151.03903	3.4
152.07040	2.3
160.03987	2.8
162.05562	2.7
163.03976	3.1
164.07103	4.8
165.05507	3.9
166.08643	13.1
167.03398	1.8
170.09843	1.2
172.03955	23.2
174.05533	1.5
176.07161	4.5
177.05484	20.1
180.06613	4.2
185.38330	1.1
187.07462	1.7
190.05003	18.7
190.21069	1.5
204.06592	37.8
207.06616	4.1
207.13823	1.8
212.09430	2.4
213.10321	4.6
215.11827	2.9
217.08748	1.8
222.07671	1.9
223.08765	1.9
225.10303	2.8
226.08739	1.5
227.11734	3.0
237.10294	3.0
238.11078	3.0
239.11761	2.7
241.09778	3.4
243.11311	13.1
249.10146	1.8
251.08304	1.7
252.08797	1.8
255.11435	3.3
264.08969	3.6
265.09778	2.9
267.11319	1.6
269.09293	3.5
271.06046	2.4
271.10757	3.5
273.12445	4.9
277.09778	2.3
278.10440	1.5
279.11139	2.2
283.10904	4.4
284.11411	2.0
285.12360	22.3
287.10248	7.0
291.08563	2.4
293.09055	1.5
297.12445	7.6
299.10666	2.6
299.14001	4.2
301.11948	2.2
302.12952	2.1
303.10074	2.4
303.13403	26.2
313.12003	2.9
315.10303	2.0
316.11026	1.9
317.14960	1.5
323.10349	4.6
325.11868	30.0
326.12637	1.6
327.13535	4.1
329.11694	1.7
330.12338	1.9
331.13235	1.7
343.13010	5.5
344.13809	2.6
345.14951	1.5
346.15570	2.6
357.14737	9.1
358.11475	1.7
358.15549	5.2
368.13962	1.8
370.11926	2.6
371.12613	3.7
372.13437	3.6
373.14246	3.5
374.15002	2.7
384.13452	1.3
386.15109	10.7
387.15829	4.3
392.16138	2.4
402.14258	2.7
403.15231	1.4
404.16251	4.4
406.18066	1.9
410.14981	1.6
414.14606	11.0
415.15320	19.7
416.16028	2.4
418.17853	2.9
420.15753	3.0
428.16232	3.0
430.17773	3.9
432.15701	18.0
438.16553	1.9
444.15607	2.7
446.17252	2.1
456.15485	6.4
462.16553	9.6
474.16599	34.9
476.18890	1.7
481.20541	2.6
494.19336	2.2
506.19269	8.8
545.33362	2.0
583.25507	3.2
585.23474	3.7
599.24896	1.9
609.23584	8.3
627.24554	100.0
628.24890	2.3
645.25720	3.1
659.27100	4.4
677.24536	13.1
677.37170	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	0.2
71.57131	0.3
93.07016	0.3
105.07061	0.2
153.84291	0.2
185.04254	1.1
209.74799	0.2
259.08020	0.6
264.72003	0.2
284.22415	0.2
347.09448	1.3
515.31940	26.1
516.32599	0.4
677.37195	100.0
678.37567	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06175	0.3
57.07076	0.4
67.05492	0.7
70.06619	0.3
70.61217	0.7
71.04989	0.3
79.05492	0.6
79.14291	0.3
85.02943	0.4
91.05479	0.3
91.77127	0.2
93.07062	0.5
95.08636	0.6
104.51975	0.3
107.08619	0.4
118.86900	0.3
121.06499	0.3
139.15013	0.3
185.04214	0.5
203.05304	1.4
203.73950	0.3
256.26447	0.3
259.07956	0.8
305.08368	0.3
347.09549	1.4
365.10577	4.2
402.15286	0.4
421.12845	1.2
515.31964	21.6
516.32269	0.4
545.22961	0.3
565.83795	0.3
573.22229	0.6
590.22565	1.1
677.37195	100.0
678.37555	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74497	1.4
53.03942	3.0
55.05511	12.1
57.03423	3.7
57.07074	2.5
61.02658	1.9
61.02928	24.3
65.02200	1.2
65.03913	1.8
67.05508	61.0
69.03420	3.1
69.07074	12.3
71.04986	3.1
73.02920	9.0
73.74699	1.3
74.53438	1.3
75.85073	1.3
79.05071	2.1
79.05499	37.0
79.05953	2.6
81.03419	3.0
81.07059	74.1
83.04955	2.1
83.08612	7.2
85.02905	29.1
85.06533	4.0
91.03954	21.9
91.05492	24.0
93.07050	57.0
95.04959	4.5
95.08607	57.4
97.02892	13.0
97.06502	3.4
97.10159	4.1
99.04446	2.3
99.08108	3.1
105.07018	19.0
107.08598	40.4
109.06516	1.8
109.09462	2.4
109.10161	32.0
111.08089	2.7
111.98613	1.4
113.09632	2.2
115.03926	1.6
117.05548	1.6
117.07018	9.7
119.08592	18.8
121.09319	2.7
121.10143	37.4
122.04218	1.4
123.11714	17.4
127.03907	9.6
131.08580	21.2
133.10124	12.0
135.11702	28.2
137.13235	6.1
139.11113	2.2
143.08586	2.2
145.04991	12.5
145.10123	17.0
147.11661	12.8
149.13255	20.1
151.14824	1.7
153.12794	2.5
157.10175	1.5
159.11687	14.4
161.13268	11.7
163.06024	19.0
163.11195	2.5
163.14830	17.3
165.12744	2.4
173.13252	17.0
175.14818	5.6
177.12747	1.8
177.16357	5.9
179.14293	2.3
185.13283	1.7
187.14796	9.4
191.14273	1.7
201.16412	2.4
205.15941	1.9
219.17583	1.5
233.18651	1.5
233.22685	3.3
243.21094	36.0
251.16249	1.6
261.22156	100.0
279.23199	2.7
335.25769	20.3
353.26859	44.5
461.28958	1.6
470.33768	1.4
497.31027	4.6
605.01459	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.05512	17.7
57.03448	9.3
57.07059	5.9
61.02927	20.7
65.03946	3.2
67.05508	88.0
69.03412	5.7
69.06787	1.6
69.07072	17.6
71.00224	1.8
71.00559	2.8
71.04984	3.4
73.02899	8.2
79.05075	2.9
79.05501	50.8
81.03411	3.7
81.07062	99.7
82.07349	1.4
83.04960	2.3
83.08627	8.5
85.02912	24.5
85.06531	4.9
85.85811	1.5
88.99086	1.5
91.03963	20.7
91.05483	26.6
93.07047	67.8
95.04980	3.7
95.08612	81.6
97.02910	13.1
97.06524	3.8
97.10152	4.5
99.04477	1.6
99.08115	3.1
99.16328	1.7
105.07042	20.6
107.08598	38.6
109.06482	1.9
109.10159	40.8
111.08094	2.4
113.09628	1.6
117.07029	8.6
119.08590	18.1
120.89599	1.3
121.10144	37.2
122.56081	1.5
123.08113	1.8
123.11713	19.4
127.03912	7.0
127.11314	1.8
131.08571	21.8
133.10126	14.2
135.11707	29.9
137.09647	2.2
137.13277	9.1
139.11154	2.6
145.04982	7.3
145.10123	17.2
147.11690	14.0
149.13261	23.6
151.11169	2.8
151.14851	2.0
153.12737	1.5
159.11684	13.7
161.13290	15.0
163.06012	9.8
163.11189	1.4
163.14824	16.4
165.12671	2.8
173.13269	18.8
175.14847	3.4
177.12730	1.6
177.16388	4.9
179.14343	3.0
187.14807	10.3
201.16339	3.5
233.22626	2.6
243.18782	2.8
243.21106	34.8
261.22156	100.0
262.22427	1.6
279.23108	6.0
312.41373	1.9
335.25815	32.8
353.26892	39.3
453.21048	2.2
465.20874	2.6
497.31042	6.3
677.35077	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	678.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
58.21924	0.4
62.95644	0.4
65.03907	0.6
70.06595	0.5
71.12690	0.9
73.24651	0.4
84.04485	0.8
85.02887	1.1
91.05479	4.2
92.04983	0.6
93.06537	0.6
93.07045	4.9
95.04961	0.8
103.05486	3.7
106.06529	0.6
117.05750	1.2
117.72652	0.4
118.06563	2.7
119.04967	0.4
120.04494	0.7
120.05689	1.8
120.08118	1.0
121.06516	22.3
121.08871	0.6
122.09667	0.6
126.05531	1.2
134.09686	0.9
136.07480	0.5
139.42024	0.4
142.03172	0.8
144.04454	2.7
146.06027	13.6
147.06747	0.4
148.03960	0.7
148.07579	1.5
152.07074	1.0
160.07613	0.7
162.05516	1.6
162.09143	0.9
163.03868	0.6
164.07086	2.7
164.10709	2.9
165.11508	4.3
165.99803	0.4
172.03915	1.5
176.07043	2.4
178.08647	23.3
179.09323	0.8
180.10213	11.9
188.07077	5.8
190.04964	1.1
190.08623	4.5
197.10475	5.1
204.06583	1.8
206.08113	6.4
208.09705	12.7
210.07639	0.8
213.08769	0.5
216.06587	5.6
220.09705	21.2
221.10359	0.7
222.11269	61.3
223.08577	0.7
223.12041	17.8
224.12807	1.5
227.07976	0.8
234.07616	8.2
248.09192	15.8
249.10120	2.5
250.05368	1.0
250.10776	2.7
256.10001	4.2
259.09366	1.6
266.10260	45.4
267.10791	0.8
268.06250	2.2
268.11856	1.7
282.07965	19.0
300.08844	2.1
386.15997	11.2
420.14835	10.4
540.16534	14.4
573.18939	0.7
591.20020	1.2
618.62170	0.5
660.22571	1.8
678.23285	100.0
679.23773	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
65.03916	0.6
70.02934	0.6
70.06590	0.8
71.04967	0.7
71.57195	0.5
84.04478	1.1
85.02872	1.4
91.05489	5.9
92.05003	0.5
93.06565	0.5
93.07051	6.4
95.04971	1.3
102.20866	0.5
103.05479	4.2
106.06561	1.2
108.04465	0.9
112.03880	0.6
117.05749	1.2
118.06558	3.7
120.04440	0.7
120.05729	1.9
120.08089	1.2
121.06521	27.3
121.08842	0.7
126.05521	1.8
134.09575	0.9
136.07556	0.9
144.04425	2.5
146.06021	15.1
147.06786	0.6
148.07578	1.2
152.07065	1.2
160.07590	1.0
162.05518	2.2
162.09137	1.4
163.03903	1.3
164.07089	3.5
164.10724	2.5
165.11523	4.1
172.03938	1.6
172.06084	0.8
176.07089	1.9
178.08652	22.2
180.06450	0.6
180.10205	13.3
180.11711	0.9
188.07101	6.1
190.05034	1.7
190.08606	4.1
193.24075	0.4
197.10503	5.6
204.06621	1.6
206.08134	6.3
208.09708	15.9
208.11638	1.1
210.07623	0.8
213.08704	1.0
216.06593	4.0
220.06464	0.6
220.09703	24.3
222.11267	61.9
223.08583	0.9
223.12033	17.7
224.12730	1.5
227.32652	0.5
234.07643	8.7
236.09222	0.8
241.08295	0.8
248.09213	15.3
249.09958	3.2
250.05328	1.3
250.10736	3.0
254.08354	0.5
256.09998	5.3
259.09323	2.0
266.10257	53.8
267.10803	0.7
268.06454	1.8
268.11914	1.9
282.07974	20.2
283.08286	0.6
284.13776	0.4
300.09058	1.9
367.49567	0.5
386.16003	11.4
387.16040	0.6
420.14783	13.0
471.24652	0.5
522.15656	0.9
527.76050	0.5
540.16492	16.8
573.19159	1.4
660.22540	3.2
678.23285	100.0
679.23743	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	678.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.4
55.01880	2.4
55.05510	13.8
57.03431	3.5
60.08171	6.7
60.72805	1.3
62.43059	1.3
65.03926	2.7
66.32458	1.3
67.05509	33.3
68.05875	1.3
69.03418	1.6
69.07076	15.6
71.03552	1.4
71.05020	1.8
71.07381	2.0
71.57566	1.8
79.05495	27.0
81.03431	1.9
81.07058	27.4
83.04984	3.6
83.08609	7.0
85.06549	2.5
86.09717	31.9
91.05489	28.4
91.29711	1.4
93.07051	26.9
95.04974	3.2
95.08620	19.8
96.95264	1.3
97.06523	2.4
97.10161	5.4
98.98489	3.0
104.10762	2.4
105.07030	27.6
107.04939	2.0
107.08596	18.2
109.06523	2.4
109.10166	10.9
111.08076	2.6
115.05454	1.5
117.07023	14.1
119.08591	15.7
121.10152	6.9
123.08125	1.6
123.11713	2.8
125.00001	18.5
125.09666	3.8
128.06223	2.1
129.07053	8.0
131.08554	12.2
133.10133	13.6
135.08063	2.7
135.11697	5.5
141.06989	3.0
142.07870	1.6
143.08588	8.7
145.10149	13.5
147.11690	11.9
149.09616	3.2
149.13388	1.6
155.08582	4.1
157.10118	6.3
159.11682	8.6
161.13281	5.5
163.11255	1.9
167.08566	2.7
169.10147	5.7
171.11723	6.1
173.13286	5.3
181.10072	1.8
183.11708	5.6
184.07352	100.0
185.13304	4.4
187.14804	2.4
189.11221	2.3
195.11714	3.9
197.13293	5.0
199.14903	2.7
209.13210	2.4
211.14760	3.5
213.16289	1.8
223.14873	1.6
227.12857	2.4
227.18010	1.7
229.14436	3.4
241.19550	2.9
257.19086	2.6
259.20627	8.4
275.20050	5.0
333.24243	5.2
349.23697	3.1
399.00214	1.6
421.31012	2.2
435.32681	1.5
513.35565	8.2
527.37482	6.7
533.39716	3.0
607.43335	5.5
625.44653	8.5
678.30109	4.0
678.47064	8.4
688.92090	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37619	1.1
53.03959	7.9
55.01875	7.3
55.05513	25.8
57.03447	16.3
57.07076	4.2
60.08167	6.2
65.03932	5.6
67.05507	82.1
67.88983	1.2
69.03429	3.4
69.07070	50.6
69.59808	4.7
69.60213	2.4
71.04995	20.2
71.07378	3.7
71.08624	1.9
73.02921	3.5
77.03932	1.4
79.05496	80.6
81.03423	12.6
81.07060	87.3
83.04991	12.4
83.08624	12.2
85.06561	4.7
86.09714	25.6
91.05487	51.9
93.07047	81.1
95.04970	17.5
95.08611	54.0
97.06537	74.7
97.07023	1.3
97.10168	5.9
98.21476	2.3
99.08117	6.1
103.05452	2.7
104.10738	2.1
105.04514	2.9
105.07038	43.7
107.04952	6.7
107.08601	39.5
109.06527	14.4
109.10169	22.4
111.08087	7.6
113.05995	1.5
113.09670	1.8
115.05466	2.8
115.07572	31.3
116.44355	1.2
117.07020	22.7
119.08582	27.3
121.06496	5.1
121.10141	26.1
123.08104	8.0
123.11739	6.7
125.00026	17.2
125.09650	3.8
128.06241	3.4
129.07005	11.1
131.08580	28.3
133.06464	3.1
133.10136	28.5
135.08052	8.2
135.11690	17.6
137.09628	4.5
139.11200	1.6
141.06982	2.0
142.07846	2.1
143.08559	7.1
145.10138	19.0
147.08055	5.3
147.11694	15.0
149.09641	4.4
149.13264	11.6
151.11185	5.4
155.08511	1.5
157.08971	1.5
157.10089	9.1
159.11699	15.8
161.09621	4.2
161.13248	6.5
165.09164	1.4
165.12770	2.2
169.10176	2.4
171.11673	8.4
173.13258	7.7
175.11189	3.7
175.14883	2.2
177.12782	5.1
181.10117	2.3
183.11667	1.6
184.07349	100.0
185.13257	4.7
187.11186	1.6
187.14851	4.3
189.12773	2.8
189.16435	2.2
191.14326	1.8
193.12233	4.5
195.11769	2.6
195.13708	3.1
197.13152	1.7
199.14845	3.3
201.12727	2.2
201.16484	1.7
203.14323	1.8
213.16656	1.5
217.15900	5.5
219.13716	2.2
221.15408	1.7
227.18095	1.7
233.15373	2.9
240.72487	1.3
241.19585	3.7
243.21135	3.3
245.19040	3.9
249.14798	1.7
253.14322	10.4
255.17627	2.5
259.20618	5.5
261.22083	7.6
263.20105	1.4
267.15891	6.2
269.17471	5.5
273.18506	22.2
275.20081	5.7
277.21655	2.9
291.19455	13.6
293.21194	3.4
297.16986	2.9
333.24258	5.1
335.25827	53.6
347.22147	4.4
363.25259	3.6
364.35104	1.6
365.23163	7.3
367.24976	2.2
501.34790	1.4
527.37396	1.9
529.38892	33.5
531.37085	2.2
545.37933	3.1
557.38721	2.0
607.43445	3.6
611.46686	8.4
625.44733	14.0
643.45477	5.4
678.46820	8.1
679.47235	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	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80764	2.9
53.03932	10.1
55.01867	7.8
55.05515	42.9
57.03439	19.8
57.07071	4.4
58.81527	2.5
60.08165	2.5
60.43539	2.6
65.03950	4.8
67.05505	98.5
69.07072	28.0
69.97075	14.7
71.04989	4.5
79.05496	88.6
81.07059	100.0
83.04984	12.5
83.08633	23.2
84.05429	2.6
85.06536	7.1
86.09699	8.8
91.05484	86.5
93.07049	98.3
95.04963	12.4
95.08611	59.7
97.06544	13.7
97.10165	9.1
99.08134	4.2
99.37156	2.6
105.07038	89.0
107.04963	8.3
107.08610	45.9
109.06508	8.6
109.10152	22.6
111.08119	3.6
113.63897	2.6
116.49003	2.7
117.07016	26.2
119.08587	66.4
121.06483	6.5
121.10162	36.1
121.77288	3.0
123.08135	3.4
123.11718	6.7
123.86228	2.6
125.00001	9.4
125.09639	6.5
128.06291	6.0
129.06985	20.9
130.07832	3.5
131.08575	37.7
133.06491	3.2
133.10139	52.2
135.08060	7.2
135.11702	28.5
137.09641	4.8
141.06981	4.2
143.08626	13.6
145.10143	36.7
147.11690	38.7
149.09608	6.3
149.13284	13.9
155.08575	10.5
157.10179	16.8
159.11714	28.9
161.13266	23.2
163.11143	7.9
163.14954	3.1
165.12830	5.0
168.09358	3.5
169.10089	11.1
171.11708	19.1
173.13261	15.1
175.14845	10.0
177.12703	3.0
181.10074	7.0
183.11697	12.3
184.07373	44.5
185.13261	10.9
187.14879	6.6
195.11780	4.2
195.13808	5.3
197.13318	5.8
199.14821	5.0
209.13264	3.9
223.14777	3.5
225.16484	3.2
231.21083	3.2
241.19725	13.7
253.14186	4.5
255.15973	15.5
257.18927	5.8
259.20581	38.6
261.22241	3.3
267.15900	5.7
269.17230	17.6
275.20126	16.0
277.21634	6.1
291.19592	4.0
297.22107	4.0
315.22961	8.0
333.24228	47.3
335.25812	3.3
349.23822	7.7
435.32434	5.7
453.33221	5.3
470.18762	3.1
471.34836	3.7
483.93265	2.6
509.36581	3.7
513.35822	16.0
527.37378	37.0
545.38379	4.2
607.43347	12.0
625.44733	15.0
678.46075	6.6
679.41547	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01859	7.9
55.05515	28.9
56.05031	2.6
57.03449	11.8
57.07083	3.2
60.08165	7.4
65.03919	4.4
67.05170	4.2
67.05510	66.8
69.03413	3.5
69.07072	25.9
71.04990	4.5
71.07404	2.7
71.27055	4.0
74.25919	2.1
79.05058	4.8
79.05497	57.5
81.03429	3.6
81.07065	71.6
83.04973	5.3
83.08645	13.4
84.42346	2.0
85.06526	2.6
86.09711	30.9
91.05487	60.3
93.07050	60.3
95.04972	7.3
95.08041	3.9
95.08611	41.7
97.06552	10.9
97.10181	4.9
98.98451	3.9
99.60047	2.2
104.10733	4.1
105.04559	2.5
105.07037	63.4
107.04968	3.9
107.08606	36.2
107.66112	2.1
108.92717	1.9
109.06529	7.7
109.10142	16.4
111.08104	3.4
113.99004	2.0
115.05481	4.1
117.07031	19.8
119.08582	46.7
121.06468	2.8
121.10157	19.3
123.08063	3.0
123.11715	6.8
125.00027	20.6
125.09679	3.3
128.06210	4.5
129.07022	12.2
129.54869	2.3
129.76051	2.1
131.08568	25.5
133.10146	35.4
134.10565	1.9
135.08051	3.2
135.11699	15.5
137.09608	4.1
139.11252	2.4
141.06920	4.9
142.07776	4.5
143.08556	16.8
145.10115	26.5
147.08054	2.9
147.11687	25.8
149.09666	4.9
149.13255	10.2
151.11159	2.8
155.08556	7.5
156.09364	2.9
156.68489	2.2
157.10146	13.0
159.11720	20.7
161.13275	11.3
163.11235	5.1
163.14883	3.2
165.12686	2.9
167.08521	2.4
168.09351	3.4
169.10161	7.5
171.11665	13.1
173.13309	10.3
175.14859	5.8
177.12775	4.3
181.10178	4.2
183.11699	8.4
184.07347	100.0
185.11801	2.3
185.13194	11.2
187.14844	4.3
195.11743	5.8
195.13733	2.5
197.13301	5.9
199.14841	6.5
209.13252	4.7
211.14847	3.6
221.13359	2.2
227.12843	3.6
231.21227	2.8
235.16997	2.6
241.19504	6.5
255.15971	10.1
257.19125	4.9
259.20630	26.5
269.17514	7.0
275.20053	14.1
315.23132	5.0
333.24225	23.6
349.23764	5.8
421.31219	3.3
435.32806	4.5
513.35675	13.8
515.37775	2.9
527.37262	17.4
551.40839	3.5
575.82263	2.4
607.43793	11.2
625.44391	12.6
678.45972	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83426	0.2
53.03955	0.6
55.01866	0.5
63.02374	0.5
65.03938	0.4
65.62567	0.2
66.04725	0.3
69.03442	1.8
69.07097	0.3
70.06603	0.3
71.58865	0.3
72.66658	0.2
73.09528	0.2
73.92548	0.2
78.04711	0.6
79.05498	1.0
80.36079	0.2
81.03424	3.2
81.07058	0.6
84.08151	0.5
85.02914	1.5
89.03922	7.7
91.05488	3.8
93.07059	0.3
94.04197	2.1
95.04993	0.5
97.02907	2.2
99.04456	0.3
100.11266	0.4
103.03904	0.2
103.05477	3.7
105.07042	1.7
106.04176	0.5
107.04974	0.9
107.08607	0.4
109.02908	1.5
109.06516	0.9
115.03878	0.3
115.05472	1.9
117.03387	22.9
117.07027	1.0
119.04987	0.8
119.08585	2.4
119.29591	0.2
120.08121	0.3
121.06506	0.8
121.98376	0.3
122.03657	3.6
127.03941	0.5
128.06244	1.4
129.07028	1.2
131.04935	4.7
132.05721	2.2
133.06494	0.9
134.03645	1.5
135.04451	1.4
137.05986	36.5
138.06328	0.4
141.07008	0.8
143.04994	0.4
145.02855	50.6
145.06535	0.7
146.03360	0.4
147.04416	0.9
147.08057	3.1
149.05989	7.7
151.03928	1.4
151.07558	0.7
156.05678	0.3
157.06496	0.3
158.06093	0.4
158.07338	0.4
158.09674	0.2
159.08060	0.4
160.05217	1.7
161.05989	5.1
162.03122	0.4
163.03931	2.1
163.07561	9.4
167.03474	0.6
169.06519	0.6
171.08032	0.5
175.04118	0.3
175.07561	31.0
177.05478	100.0
178.05826	0.9
180.06555	0.5
184.05170	0.8
186.05450	1.3
187.07568	1.8
189.07176	0.3
189.09097	0.7
190.07732	0.3
191.07068	0.3
191.08534	1.2
195.06491	1.1
199.07547	5.0
201.05502	0.5
201.09138	0.9
202.07736	1.7
203.06853	0.4
203.08563	3.4
205.06577	0.5
217.08546	0.3
218.07188	0.4
219.08070	1.5
220.08777	0.9
230.07214	0.4
231.08078	4.6
232.08807	1.0
233.09578	0.4
235.07616	0.5
235.11145	0.3
236.08322	0.3
237.09225	0.4
247.07544	1.1
248.08340	1.8
249.09061	0.5
251.10732	0.8
258.06781	0.4
259.07535	2.4
260.08380	1.6
260.10770	0.3
261.09134	0.8
263.10709	2.1
264.07938	0.2
265.08661	0.5
276.07849	1.3
277.08560	1.2
279.10263	0.3
289.08572	0.5
291.10260	6.3
292.10953	1.5
293.08298	0.5
295.09769	0.3
295.13168	0.4
308.10535	0.5
309.10593	0.3
311.12811	2.1
315.09885	0.3
321.09644	4.9
323.12802	7.2
325.14386	3.3
335.12762	0.5
339.10712	2.5
341.13986	0.5
363.12494	0.5
393.13361	0.4
443.14722	0.5
459.17828	0.3
471.18616	0.4
483.15726	0.2
484.17221	0.4
487.17456	0.3
499.17371	1.0
507.15802	0.3
517.18103	0.4
679.24530	1.9
679.50586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.42662	0.3
57.07071	0.6
61.78184	0.3
63.76529	0.2
65.03941	0.6
67.05523	0.5
69.03413	0.8
69.07075	7.5
69.44910	1.8
74.02444	6.5
79.05486	0.8
81.07043	0.8
83.04995	0.7
84.08131	0.4
85.02888	0.7
86.09704	4.0
88.03982	0.5
91.05488	4.3
93.07054	1.0
95.04931	0.3
95.08604	0.4
97.02867	1.5
97.06525	2.1
103.05470	6.6
105.07037	10.1
107.04921	0.6
109.10153	0.3
112.07617	1.0
117.07037	0.4
118.06546	1.0
119.04951	1.2
119.08626	0.4
120.04446	0.7
120.08110	44.3
121.06505	1.1
128.04909	0.7
128.45578	0.3
129.07040	0.3
130.06537	0.4
130.08632	2.9
131.04930	3.8
132.08104	0.8
132.10216	0.6
137.05989	3.9
145.02852	0.5
145.06429	0.3
145.10136	0.3
146.06017	6.9
146.07097	0.6
147.04333	0.4
147.11609	0.3
148.03961	0.9
149.05980	0.7
151.06282	0.8
152.07089	1.6
160.07596	0.5
163.03905	0.8
164.07085	1.0
166.05000	3.5
166.08643	7.1
166.09935	0.5
167.07045	0.6
174.09172	4.3
174.12843	0.7
177.05428	1.3
180.06563	50.5
188.14381	1.0
190.05009	0.5
192.06514	0.4
194.08115	0.7
200.54398	0.3
201.05470	0.5
208.06058	1.1
216.13820	2.1
220.13373	0.7
222.07622	14.5
234.14961	1.2
262.14566	0.6
277.06946	0.3
302.09979	0.5
328.11826	0.3
335.09152	0.3
344.11334	0.4
355.11746	0.4
367.11606	0.3
376.14096	0.5
395.19623	0.9
403.24707	0.3
427.18762	0.8
437.20837	0.7
441.20218	13.3
455.22183	0.3
469.19528	1.0
483.21280	100.0
484.21744	2.5
511.45853	0.3
563.23926	0.4
605.24945	8.8
619.25665	0.3
637.27551	0.6
679.28033	1.0
679.40442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.4
50.91710	0.2
51.02374	0.4
53.03957	0.6
55.01886	0.7
55.05507	0.3
57.03450	0.4
57.07080	0.4
61.02914	0.3
63.02388	0.7
65.03940	6.4
67.05506	3.0
69.03426	3.3
69.07069	0.9
69.30779	1.0
69.31204	1.0
76.27024	0.2
78.04732	0.4
79.05490	0.8
81.03418	3.0
81.07060	1.2
83.04987	0.9
85.02911	4.0
87.33003	0.2
89.03917	5.9
91.03994	0.3
91.05465	1.8
93.02807	0.4
93.03407	8.5
93.07054	1.0
95.04961	1.7
95.08607	1.1
97.02895	93.7
98.03233	0.6
99.04466	0.4
99.08096	0.4
103.03928	0.3
103.05460	1.1
105.07050	1.3
106.04167	0.2
107.04954	0.4
107.08603	2.1
109.02885	1.0
109.06509	2.4
109.10172	0.9
110.03656	0.8
111.04424	1.1
113.72639	0.2
115.05468	0.6
117.03384	17.4
119.04939	0.9
119.08578	1.5
121.02892	3.3
121.06505	0.5
121.10140	2.7
122.03656	0.7
123.04454	0.4
123.08073	1.8
123.11718	1.5
124.05204	1.0
125.02378	1.4
125.05989	1.7
127.03921	1.2
128.06239	1.6
129.07011	6.9
131.04942	1.0
131.08559	0.7
133.06482	0.4
133.10173	0.4
134.03680	1.0
135.04413	1.0
135.08069	0.7
135.11679	0.2
137.05981	7.5
137.09601	1.1
137.13304	0.2
139.03886	0.9
139.05417	1.2
141.06993	2.0
145.02849	50.7
146.03181	0.4
147.04416	1.2
147.08043	0.5
147.11685	0.7
149.02348	10.0
149.05984	6.8
149.09604	2.2
149.13269	1.7
151.03917	2.6
151.07553	0.3
151.11183	9.3
153.05499	0.3
155.04871	0.3
156.05740	0.5
157.06491	7.8
158.07222	0.3
160.05298	0.4
161.05956	1.4
162.03070	0.3
163.03899	0.6
163.07550	1.8
163.14806	0.2
165.05421	0.3
165.10713	0.3
165.12759	18.1
167.03410	49.0
168.03745	0.3
169.06482	2.9
171.08020	0.4
172.05202	0.2
173.05927	0.4
173.13257	0.6
174.06779	1.0
175.07558	5.4
177.05470	100.0
178.05878	1.1
179.54985	0.3
180.06566	1.2
183.04419	0.4
184.05229	1.0
185.05969	3.1
185.07449	0.4
186.05359	1.1
187.07516	1.7
188.08313	1.8
189.05510	1.6
189.09106	9.4
191.14320	1.4
193.15892	1.0
195.04448	1.0
195.06313	0.4
197.05942	0.4
199.07552	8.0
200.04710	0.7
201.09091	0.9
202.07854	0.4
203.08572	0.5
207.06528	2.7
209.15366	44.1
210.15701	0.7
212.04713	0.5
213.05434	1.6
214.06303	0.5
215.07048	1.3
217.08601	7.7
219.10109	0.3
222.07649	0.4
227.07018	6.7
229.08507	0.4
231.08252	0.5
245.08096	13.9
246.08501	0.4
251.10802	0.2
255.06459	0.9
259.07495	0.4
273.07562	3.6
277.08716	0.3
279.09692	0.2
291.08606	35.7
292.08826	0.7
309.09677	6.0
311.12671	0.4
321.09744	0.8
323.12732	1.3
325.14349	0.4
339.10632	1.0
341.13928	0.4
371.20352	0.2
419.18011	1.0
433.10184	0.2
483.18011	1.1
607.82013	0.2
679.24170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
60.99072	0.5
63.02399	0.5
65.03942	6.6
67.05511	3.7
69.03442	2.7
69.07070	1.2
69.58167	1.3
69.58580	1.9
71.04989	0.7
79.05508	1.5
81.07055	1.2
83.04996	2.3
83.08640	0.6
85.02911	1.1
87.35612	0.4
88.39506	0.4
89.03922	3.5
91.05494	1.6
93.03403	7.7
93.07041	1.8
95.04976	1.0
95.08611	3.8
97.02898	100.0
97.06509	0.6
98.03230	0.7
105.07024	1.2
107.04961	0.6
107.08599	6.2
109.06523	1.3
109.10167	3.0
110.03645	0.7
111.04443	0.7
115.05444	0.5
117.03381	14.5
119.08596	0.7
121.02892	2.5
121.06504	1.6
121.10144	6.0
123.11720	0.7
124.05195	0.8
125.02348	1.3
125.06010	1.7
125.09633	2.2
128.06245	1.9
129.07016	7.0
131.04964	0.9
131.08606	1.1
133.10130	2.0
134.03615	1.0
135.04321	0.5
135.08061	1.7
135.11702	1.0
137.05988	1.9
137.09621	1.4
139.03909	0.9
139.05421	1.3
139.11185	1.0
141.07007	2.3
145.02853	45.0
146.03201	0.6
147.04381	0.9
147.11707	1.9
149.02354	11.0
149.05992	6.2
149.09663	2.6
149.13272	3.6
151.03864	2.8
151.11195	15.9
157.06509	9.2
158.10880	0.6
163.03848	0.7
163.07623	0.6
163.14819	2.6
165.12788	1.1
167.03418	52.6
169.06476	2.6
173.06013	0.6
173.13266	2.4
174.06757	0.9
175.07463	0.8
177.05479	93.3
178.05826	0.8
183.04390	0.6
185.06006	2.3
186.05418	0.8
187.07527	1.1
188.08337	1.6
189.05463	1.6
189.09128	9.6
191.14314	15.9
195.04417	1.0
199.07558	5.8
207.06548	1.3
209.15370	21.1
213.05508	2.0
215.07004	1.3
217.08598	7.9
227.07031	6.7
245.08110	12.8
273.07626	4.2
291.08636	42.6
292.08951	0.5
309.09698	8.9
339.10654	1.4
600.94629	0.4
679.26404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45741	1.7
53.03934	2.7
55.05513	19.3
57.03435	8.6
57.07083	9.3
57.14952	1.8
59.93538	1.6
61.02931	19.3
63.63035	1.5
65.03927	2.5
67.05505	81.6
69.03426	3.1
69.07067	31.9
69.61740	6.8
69.62148	2.8
71.04978	3.0
71.08622	7.2
73.02915	8.0
79.05495	22.7
81.03405	2.6
81.07059	100.0
83.04931	1.6
83.08620	18.7
83.18773	1.5
85.02911	19.6
85.06532	5.1
85.10179	2.0
91.03971	16.4
91.04979	1.8
91.05485	18.7
93.07048	29.3
95.08608	78.4
97.02897	11.0
97.06528	6.7
97.10175	13.9
99.08086	3.1
105.07037	15.2
107.08606	21.2
109.10162	43.6
111.08069	5.0
111.11721	3.7
113.09652	3.4
115.03944	1.7
119.08585	13.8
121.10140	23.5
121.36052	2.0
123.08054	1.8
123.11713	24.5
125.13277	1.8
127.03911	4.3
131.08591	1.9
133.10147	16.8
135.11714	13.7
137.09593	1.9
137.13292	8.6
141.12735	3.8
145.04953	8.2
147.11641	10.3
149.13275	11.1
151.14841	9.1
153.00574	2.3
153.12772	1.9
155.14334	3.8
161.13252	18.0
163.06049	13.3
163.14880	9.9
165.16365	8.5
175.14818	14.4
177.16338	3.3
179.14366	1.8
179.17957	9.8
181.15912	2.5
185.12822	1.7
189.16408	5.7
193.15900	2.2
203.17984	2.3
211.13031	1.6
245.20052	2.4
245.22656	71.0
263.23700	87.9
322.35461	1.7
337.27371	72.0
355.28387	10.5
359.16965	1.9
359.67606	2.3
361.16763	5.5
361.66922	5.5
499.32639	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	680.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
55.01872	1.9
55.05510	13.0
56.96555	2.4
57.03438	2.4
57.07085	2.6
59.42615	1.5
60.04531	3.2
65.03941	3.1
67.05177	3.0
67.05510	34.3
69.03431	6.7
69.07077	8.5
69.37428	13.6
71.05014	3.6
79.05495	28.2
81.03422	3.7
81.07062	34.0
83.04994	3.8
83.08616	6.7
85.02898	3.0
91.05487	44.4
93.06496	1.6
93.07053	32.6
95.04979	9.2
95.08614	29.5
97.02900	88.9
97.06546	5.7
97.10173	2.4
98.20779	3.7
99.04459	2.9
99.08104	2.4
102.19009	1.7
105.07042	30.7
107.04966	3.5
107.08602	24.2
109.06504	9.1
109.10143	12.7
111.04446	2.3
111.08064	2.8
113.81252	1.5
114.05573	1.8
115.05494	2.0
117.07013	17.6
119.08582	25.9
121.06504	5.9
121.10155	17.7
123.04400	2.8
123.08058	5.9
123.11738	4.1
125.09670	2.3
128.06239	4.2
129.07021	11.2
131.08569	26.3
133.06491	3.3
133.10141	17.5
135.04411	1.9
135.08060	6.6
135.11700	11.1
137.09625	2.2
139.07510	2.1
141.07022	4.3
143.08577	9.1
145.06543	3.4
145.10124	22.2
147.08070	6.6
147.11674	12.2
149.09610	2.7
149.13249	5.9
151.07541	2.1
153.09070	3.4
155.08545	8.9
156.09315	2.2
157.10150	9.2
159.08112	3.7
159.11703	16.3
161.09625	3.8
161.13300	6.1
163.11224	2.6
163.14777	1.9
165.09155	2.0
169.10150	5.6
171.08052	1.7
171.11682	7.8
173.09656	3.2
173.13261	9.3
175.11177	3.5
177.12796	2.1
181.10109	4.1
183.11693	6.1
185.09637	2.3
185.13278	5.3
187.11221	3.8
187.14824	6.0
189.12801	3.6
189.16418	2.5
193.10158	2.1
193.12271	2.0
195.11739	2.6
197.13258	3.7
199.14743	1.6
201.12819	2.6
201.16432	2.7
203.14354	3.0
209.13304	3.3
211.14833	3.0
213.12886	2.5
213.16437	1.8
219.11754	1.7
223.14935	3.1
239.02348	2.6
241.19620	1.9
247.16920	1.9
259.20572	7.2
271.20584	1.9
273.22153	3.5
277.21661	5.5
289.21716	4.0
291.23196	2.2
299.19965	2.4
303.23096	6.9
311.23715	3.3
313.21445	1.8
319.22397	1.8
321.22168	1.6
327.23254	2.1
329.24731	5.8
339.23160	15.5
345.24307	3.0
357.24286	28.5
375.25348	100.0
393.26401	6.1
410.29407	1.7
446.00873	1.4
537.30365	5.0
691.55792	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.2
53.03933	5.4
55.01860	3.7
55.05513	30.1
57.03444	13.5
57.07067	5.4
57.24099	2.3
63.90223	2.3
65.03937	4.8
67.05508	100.0
69.03410	2.3
69.06721	2.9
69.07073	35.1
70.96421	4.3
71.04984	6.2
72.56245	2.0
78.38812	2.2
78.86622	1.9
79.05061	3.4
79.05499	55.7
81.03404	2.4
81.07060	84.1
83.04972	6.2
83.08621	15.0
85.06532	4.2
85.38219	2.1
88.09561	2.2
91.05489	45.5
93.06468	4.3
93.07047	71.1
95.04966	9.0
95.08046	3.9
95.08609	51.0
97.06535	8.4
97.10184	10.0
99.08097	2.7
105.07030	36.2
107.04942	5.1
107.08600	43.9
109.06528	5.5
109.10164	39.6
111.08076	6.0
117.07016	15.1
119.08591	31.8
121.06505	2.6
121.10146	24.2
123.08072	2.1
123.11716	9.7
125.09664	5.5
129.06996	6.6
131.08559	23.0
133.10144	20.7
135.08081	4.2
135.11699	18.4
137.09656	2.8
141.07013	2.7
143.08539	5.0
145.10112	17.9
147.11707	15.0
149.09619	5.9
149.13264	15.4
151.11227	3.8
155.08543	3.9
155.10660	2.4
157.10060	4.7
159.11658	13.2
161.13269	8.9
163.11153	4.6
163.14810	3.8
165.12773	2.8
169.10081	2.7
171.11652	3.8
173.11746	5.2
173.13220	8.2
175.14806	3.0
177.12749	4.8
179.14313	2.4
183.11707	2.8
184.07335	2.9
185.13257	4.9
187.14754	2.9
189.11208	3.1
195.13731	2.6
197.13295	3.0
199.14839	4.0
215.17833	2.4
227.12791	10.4
227.18065	2.9
229.14343	31.1
232.01871	2.1
236.06174	2.2
243.21172	6.4
257.18942	3.3
259.20575	7.9
261.22092	12.5
269.17444	25.8
275.20059	24.2
277.21567	4.8
293.21091	4.5
317.24924	3.9
331.22714	2.6
333.24207	6.3
335.25870	79.2
335.29938	5.0
336.26361	2.1
349.23779	10.1
367.24762	9.8
435.32681	2.7
437.34790	2.1
467.41165	2.4
475.05325	2.2
489.35809	21.8
515.37134	5.8
517.39368	3.8
525.80322	3.0
527.37256	8.8
529.38989	39.7
569.41919	3.5
609.45514	19.8
627.46136	16.6
662.21997	3.2
680.41638	6.9
681.43329	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	681.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30422	0.4
55.05515	0.9
64.65571	0.4
65.03949	5.9
67.05518	4.6
69.03426	1.6
69.07072	1.7
69.99392	1.4
69.99802	0.7
71.01348	0.6
71.04997	0.5
79.05506	0.7
81.07072	2.4
83.04987	1.2
83.08616	0.5
83.47315	0.4
85.02904	0.5
88.04024	0.7
89.03916	3.9
91.05483	1.2
93.03410	7.5
93.07043	1.0
95.05010	0.7
95.08615	4.7
97.02899	100.0
98.03248	1.4
99.08174	0.5
103.05479	1.6
105.07035	1.6
107.08608	2.3
109.06522	1.1
109.10166	13.6
110.03683	0.7
111.04441	0.8
111.08092	0.5
113.09651	0.5
117.03381	13.2
119.04913	1.1
119.08587	4.3
121.02869	2.5
121.10141	1.8
123.08066	1.6
123.11711	1.4
124.05228	0.6
124.93032	0.5
125.02345	1.2
125.05971	1.3
128.06210	1.0
129.07027	5.9
131.04947	1.3
133.10150	3.4
134.03616	0.7
135.04404	0.7
135.11703	12.1
137.05988	1.4
137.09636	2.4
139.03929	0.7
139.05527	0.9
141.07013	1.7
145.02855	42.0
146.03177	1.2
147.04425	2.5
149.02354	11.0
149.05988	5.2
149.13246	1.2
151.03893	2.5
151.11217	1.1
151.14824	1.3
157.06500	7.7
163.03934	0.9
163.07596	0.5
165.16354	0.5
167.03421	54.7
168.03737	0.7
169.06500	2.7
174.06810	0.9
175.07481	0.6
175.14838	4.7
177.05484	93.1
178.05838	1.8
179.05923	0.6
180.06552	1.0
185.05952	2.9
186.05505	0.6
187.07632	1.4
188.08333	1.5
189.05492	2.0
189.09122	8.1
193.15863	5.1
195.04454	0.8
195.06433	0.5
199.07549	6.0
201.09137	0.5
207.06497	1.7
211.16954	17.0
212.04692	1.0
212.17322	0.6
213.05431	1.4
215.07062	1.0
215.79999	0.4
217.08617	7.4
227.04968	0.6
227.07060	6.7
231.06622	0.4
245.08121	12.4
246.08536	0.5
255.06468	1.0
263.09250	0.5
271.86429	0.4
273.07593	3.7
291.08643	42.0
292.08975	1.1
300.55203	0.5
309.09698	9.9
339.10785	1.0
365.32697	0.5
485.15555	3.1
700.85730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.1
64.39468	0.8
67.05493	2.4
69.07058	3.1
70.18922	3.5
79.05473	3.6
81.07059	7.9
83.04974	2.2
83.08608	2.4
89.03919	7.3
91.05471	3.9
93.07048	7.5
95.04987	1.1
95.08612	11.2
99.08058	1.4
103.05476	0.9
105.07033	10.9
107.08591	12.1
109.06535	2.5
109.10175	6.2
117.03378	18.3
117.07014	2.0
119.08580	16.7
120.15929	0.8
121.06548	1.3
121.10132	7.4
123.08018	1.0
123.11720	2.4
125.09619	2.3
129.07007	1.3
131.08582	9.3
133.10133	9.5
134.03645	1.6
135.04364	1.9
135.11668	3.1
137.09596	1.0
143.08537	4.5
145.02850	49.1
145.10132	11.3
147.11723	7.3
149.06000	8.1
149.09497	1.0
149.13228	2.6
151.11119	1.7
157.10144	6.6
158.10857	1.3
159.11679	9.7
161.13297	5.9
163.03929	2.2
163.11240	1.1
163.14835	1.2
169.10114	2.0
170.10892	1.1
171.11688	4.5
173.13280	6.9
175.14804	5.8
177.05479	100.0
177.16423	2.3
180.06476	0.9
183.11691	2.5
185.13300	7.7
186.05530	2.7
187.14851	12.6
189.16385	3.6
195.06511	8.0
197.13271	3.2
199.14816	8.9
201.16379	10.4
203.14342	3.8
203.17984	1.6
205.15797	4.3
211.14839	2.7
213.16367	7.2
215.17998	2.1
217.15862	2.1
219.17427	2.6
225.16402	0.9
227.17934	1.5
229.15933	0.9
231.17435	1.4
233.15482	2.0
239.17842	1.2
245.15343	2.0
247.16951	1.4
249.14836	2.7
253.19365	1.5
259.16998	1.5
265.19614	1.3
267.21054	1.3
287.19995	1.1
292.18372	0.9
353.24756	1.0
374.31824	0.9
387.30524	1.7
393.27725	1.5
405.31558	12.8
407.33203	3.2
423.32312	4.9
433.31107	4.5
451.31995	4.8
469.33206	7.8
681.34863	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	11.7
63.75835	0.3
67.29532	0.3
70.44760	1.2
71.95268	1.6
72.96033	1.5
91.05428	0.3
92.82671	0.3
97.02884	0.5
97.96841	0.4
102.77737	0.3
103.77437	0.3
105.00128	0.6
109.74908	0.3
110.97578	1.1
121.06476	1.1
137.02673	0.4
137.05949	0.9
145.02853	0.4
147.04344	0.4
151.04192	0.5
162.08537	0.3
171.11923	0.3
173.04944	0.3
177.05502	1.1
197.08408	0.3
217.70982	0.3
223.10011	5.2
229.07472	0.6
235.10039	8.1
240.64639	0.3
241.11118	44.6
242.11467	0.4
247.97226	0.3
251.09595	0.5
253.11116	85.1
254.11365	0.6
259.12189	30.4
264.12738	2.8
271.12173	87.0
272.12567	0.9
276.12601	1.9
282.13760	1.1
287.05389	0.5
289.13116	2.0
294.13776	8.9
467.26843	100.0
468.27045	1.8
568.28455	0.3
582.14581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86612	0.8
52.93526	0.6
55.05493	1.0
55.62706	0.8
57.03432	1.1
67.05508	3.4
69.07058	1.4
69.30167	6.2
70.30592	0.6
72.05807	0.7
79.05499	3.7
81.07066	4.5
85.06567	0.9
91.05469	2.5
93.07062	4.8
95.04966	2.4
95.08611	2.3
101.89781	0.6
105.07018	2.4
107.08601	2.1
109.06566	0.9
109.10143	1.3
117.07021	0.7
119.08591	2.0
121.10146	1.7
129.07002	1.0
131.08563	0.9
133.10165	1.3
135.08101	0.7
135.11781	0.8
145.10103	0.8
159.11720	0.8
170.13191	0.8
191.80746	0.8
249.19359	0.9
277.97449	0.8
314.96677	0.7
324.01114	0.8
331.18768	11.1
387.21609	5.2
635.65625	0.8
681.43359	100.0
682.43396	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
55.05507	2.5
57.03436	0.9
57.07087	0.6
65.03927	0.9
67.05508	5.2
67.94819	0.7
69.07069	2.6
71.57605	0.9
79.05498	5.0
81.07056	4.9
83.08612	1.6
86.09704	0.6
91.05479	3.6
93.07034	3.9
95.04987	1.2
95.08641	3.2
97.10213	0.7
105.07060	2.6
106.07354	1.2
107.08567	3.1
109.10168	2.0
117.07051	1.0
119.08599	2.4
121.10156	1.6
131.08583	2.2
133.10146	1.5
135.11752	1.4
145.10155	0.9
147.11682	1.2
161.13336	1.0
173.13188	0.9
184.07448	1.5
187.14828	0.6
223.13223	0.6
259.20374	0.8
317.20795	1.1
331.18756	5.6
333.24460	0.8
336.13495	0.7
373.23636	2.5
387.21646	2.4
446.22784	0.7
528.37769	1.0
610.45453	0.9
681.43359	100.0
682.43225	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	682.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59371	0.3
53.03954	0.5
55.01859	0.5
55.05519	0.9
55.40557	0.3
57.03438	7.0
59.05003	0.6
61.02929	0.6
63.02399	0.4
69.03437	3.1
71.01357	0.8
71.04996	39.2
71.10310	0.6
71.10658	0.4
73.02937	0.5
75.04500	1.4
79.05492	0.6
81.03417	1.4
83.04980	1.2
85.02909	43.8
86.03304	0.3
87.04462	1.3
89.03921	2.9
91.05485	0.8
93.07089	0.4
94.06563	0.8
95.04983	0.7
97.02903	7.6
99.04459	0.7
101.47495	0.3
107.04950	1.2
108.08107	0.5
109.02882	0.4
109.06532	0.4
110.06064	0.7
111.04462	1.3
117.03394	4.9
118.06556	1.2
120.08117	0.5
122.06037	2.2
122.22641	0.3
123.04427	0.5
123.06848	0.4
124.07613	0.5
127.03894	0.9
129.05482	8.3
135.04425	9.9
136.07561	2.3
139.06262	0.9
140.07079	0.4
145.02855	9.7
146.06000	1.2
147.06532	1.4
148.07571	0.6
150.05568	1.6
151.03940	0.7
153.07877	1.4
153.21759	0.3
154.08641	6.2
159.53677	0.3
163.03912	96.3
164.04266	0.6
164.07080	5.1
166.08649	9.4
167.05785	0.6
172.33376	0.4
181.04959	2.8
182.08151	5.2
184.09705	16.5
189.89940	0.3
194.06747	0.4
194.08136	15.7
212.09186	100.0
213.09453	1.1
288.19370	0.3
307.08133	1.4
325.09204	17.8
340.13879	1.2
358.14990	8.7
374.14621	1.8
471.15033	0.6
518.16107	0.9
536.17670	28.4
537.17694	0.8
682.23132	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01851	0.7
55.05482	3.0
58.99568	1.0
59.04966	1.2
62.99060	2.4
65.03928	1.2
65.52010	0.6
66.70729	0.7
67.05504	4.0
69.03403	1.1
69.07074	11.0
70.06578	0.7
71.04993	16.0
71.40319	1.1
73.01120	1.0
73.06521	0.7
75.02708	7.7
79.05499	26.2
81.03394	0.8
81.07061	58.1
83.04949	1.5
83.08612	1.1
84.08136	1.8
85.01140	4.0
85.02887	1.0
85.06517	2.0
87.02652	2.3
87.08083	2.0
89.12393	0.7
91.02164	0.7
91.05480	3.4
93.07054	6.8
93.68123	0.7
95.04978	3.9
95.08606	3.2
97.01122	5.8
97.06539	9.3
97.10167	1.7
99.02670	3.2
99.08095	7.8
101.00600	0.7
103.02178	2.2
103.05437	0.8
105.04512	0.8
105.07040	3.2
107.04970	3.6
107.07967	0.8
107.08605	10.0
108.02957	0.6
108.05719	0.8
109.06516	4.8
109.10167	11.2
111.02673	9.7
111.11739	3.4
111.12366	0.7
112.11201	0.7
112.96892	0.6
113.00595	5.4
113.04253	5.4
115.02164	26.3
119.01624	1.0
119.08571	1.5
121.06530	9.3
121.10158	12.8
123.02640	1.9
123.08089	0.9
123.11711	6.5
125.04205	0.9
125.05935	0.9
125.09631	6.6
127.02100	2.1
127.11165	3.1
129.03757	3.3
131.08588	1.2
133.10112	4.2
133.49232	0.6
135.11678	2.5
137.09602	1.4
139.05733	2.1
139.11194	9.4
141.03693	17.8
141.07289	1.8
143.10712	0.6
146.05981	1.1
147.04396	1.1
149.09593	4.3
150.10358	1.9
151.11171	9.1
155.08891	4.0
155.10695	2.9
157.12257	2.5
163.03928	1.4
164.35770	0.7
165.07347	4.7
167.10623	1.2
173.09958	2.2
176.07100	1.6
178.08615	5.8
183.08415	23.9
192.10226	1.1
201.09457	100.0
202.09743	1.0
204.06575	1.4
204.13297	0.6
219.10515	97.4
220.10812	1.4
222.07640	7.0
236.09114	1.3
236.11308	1.1
237.11554	8.0
283.94241	0.7
307.18607	1.0
314.71741	0.7
374.16031	6.3
394.91483	0.6
664.27966	1.1
682.28937	47.4
683.29211	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.3
62.97261	1.0
67.05511	5.7
69.07085	1.7
71.57177	1.3
75.97725	1.0
79.05499	4.3
81.07060	4.6
91.05487	3.1
93.07058	3.4
95.04986	1.1
95.08617	3.3
105.07063	1.6
107.08620	2.0
109.10175	2.7
119.08640	1.8
121.10168	1.6
125.55589	1.1
131.08557	1.0
133.10197	1.4
229.14583	1.2
333.20471	1.7
349.19492	1.3
369.99249	1.3
388.29462	1.2
530.39429	1.5
683.43732	100.0
684.44122	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	683.4498
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
50.59412	0.2
53.03962	0.3
55.05514	0.9
57.03442	0.5
57.07080	0.3
67.05509	2.6
69.07069	1.2
69.19635	2.3
79.05499	2.6
81.07062	3.0
83.04995	0.4
83.08636	0.4
91.05480	2.3
93.07053	3.1
93.65996	0.2
95.04985	0.5
95.08614	1.7
105.07048	1.9
107.08609	1.6
109.10168	0.8
117.07084	0.4
119.08611	1.4
121.10181	0.4
131.08574	0.4
133.10170	1.1
135.11720	0.7
139.03767	0.3
143.08546	0.4
145.10095	0.4
145.39046	0.3
147.11720	0.5
159.11760	0.3
173.13249	0.4
218.36850	0.2
245.79344	0.3
246.01338	0.2
295.02716	0.3
317.21021	0.9
333.20374	7.8
334.20755	0.4
340.02560	0.3
373.23648	0.9
389.22980	4.1
461.25269	0.6
515.57642	0.4
571.36884	0.3
585.37415	0.3
613.36835	0.4
683.44989	100.0
684.45306	3.8
704.23694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.05518	9.5
57.03457	2.7
65.03942	1.8
67.05513	26.4
69.03441	1.7
69.07080	7.0
70.43216	2.9
70.43596	2.4
74.06110	1.2
75.51482	1.2
79.05499	41.6
81.03416	5.0
81.07061	23.4
83.04980	7.9
83.08624	4.7
85.06522	3.0
86.09725	3.3
91.05483	32.1
93.07052	41.1
95.04988	11.2
95.08607	16.1
97.02886	1.7
97.06517	3.1
97.10194	2.9
104.10753	3.7
104.31744	1.5
105.04513	1.4
105.07044	22.9
107.04952	4.1
107.08612	11.5
109.06529	4.5
109.10165	4.4
115.05453	1.4
117.07024	5.5
119.08598	14.5
121.06474	4.1
121.10167	3.5
123.08064	4.4
125.00051	2.6
126.12831	1.2
129.07008	8.8
131.08560	2.7
133.10127	7.5
143.08588	4.4
145.10146	7.2
147.08009	1.8
147.11694	22.7
161.09647	2.8
161.13257	5.9
171.11713	19.0
172.95241	1.3
184.07317	2.5
185.22591	1.4
189.12766	5.4
207.13811	16.8
225.14897	2.4
227.43532	1.2
255.23352	1.3
281.17502	44.2
335.25842	1.9
348.25906	1.5
469.29028	2.1
487.30597	100.0
488.31046	2.7
537.29456	1.6
537.79993	3.8
538.30908	1.8
626.02594	1.5
631.81274	1.3
646.84003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.1
51.02382	0.3
53.03936	0.8
55.01879	0.3
63.02369	0.3
63.36777	0.1
65.03936	0.4
66.04723	0.2
67.05505	0.3
69.03426	0.3
70.08591	0.6
77.03939	0.6
79.05055	0.2
79.05495	2.5
81.03423	0.5
81.07059	0.7
85.02907	0.3
86.12508	0.2
89.03394	0.3
89.03919	3.5
91.05487	2.4
94.04189	0.7
95.04976	1.3
97.02890	0.4
98.20921	0.2
105.03402	1.1
105.04516	0.4
107.04955	1.1
109.02904	0.3
109.06529	1.6
117.03384	3.8
119.04945	1.8
121.02850	0.2
122.03650	0.7
123.04424	1.4
127.03926	0.3
133.02867	1.6
135.04425	8.5
137.05988	5.9
139.03905	0.1
145.02853	6.0
145.04004	0.3
147.04402	1.4
151.03903	5.4
151.07466	0.3
153.05424	0.3
161.05977	0.4
163.03915	44.9
164.04218	0.4
165.05479	100.0
166.05786	0.9
167.07053	0.4
167.08475	0.2
175.03951	0.6
175.07578	0.3
177.05412	0.2
179.07027	0.5
181.04956	1.0
181.06381	0.2
183.06581	1.2
187.07559	0.2
189.09169	0.2
193.04993	0.6
195.08179	0.3
199.07602	0.4
203.06961	0.2
207.06560	1.5
213.08978	0.2
217.08658	0.4
223.07535	0.2
225.05513	0.2
225.07455	0.7
227.07042	0.2
245.08090	2.0
263.09222	0.4
265.07275	0.2
269.07980	0.3
277.07135	0.3
287.09131	0.4
291.08743	1.1
295.08438	0.3
307.08157	2.4
309.09836	0.3
319.11771	0.8
325.09244	0.2
346.58060	0.1
369.09552	0.2
377.99884	0.1
378.63269	0.2
443.13199	0.4
457.11353	0.5
461.14642	0.2
499.12149	0.3
531.15100	0.8
685.20941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49249	0.4
55.05503	1.2
57.03440	0.4
67.05503	3.6
67.90367	0.3
69.07069	1.7
69.94266	0.9
69.94670	0.9
74.84047	0.3
79.05495	1.4
81.07056	3.5
85.41943	0.3
91.05493	1.2
93.07054	1.5
95.04989	0.5
95.08596	1.9
96.48381	0.3
96.78824	0.4
105.07035	0.8
107.08610	1.2
109.10178	1.1
110.01775	0.4
119.08604	1.1
121.10174	1.0
131.08598	0.4
133.10150	0.6
137.49422	0.4
145.10170	0.7
333.20459	1.2
335.26004	1.0
351.21442	5.3
389.22919	0.6
407.24268	2.0
566.68219	0.4
685.46490	100.0
686.46857	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	686.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02337	0.3
53.03917	1.5
60.20961	0.4
70.06560	0.4
71.04974	0.7
71.57101	0.4
71.57484	0.5
77.03929	0.5
79.05482	0.5
81.03397	0.5
84.08120	0.5
85.02877	1.3
91.04961	0.5
91.05486	7.5
93.07046	7.4
95.04934	1.4
103.05468	6.7
105.04485	0.7
117.05746	1.2
118.06538	4.7
120.04430	0.7
121.06514	29.2
122.06881	0.4
132.08064	0.6
134.09645	1.4
136.07544	0.8
144.04474	2.9
144.07973	0.4
146.06017	20.6
147.04391	1.4
147.06328	0.6
148.03937	0.5
152.07124	0.4
160.07611	0.8
162.05548	2.2
162.09108	1.4
163.03951	0.5
164.07027	1.4
165.05528	0.7
172.03874	1.3
176.07066	1.4
178.08640	33.6
188.07065	6.5
190.05008	1.6
190.08643	5.9
194.08119	0.6
204.06543	1.7
204.10217	0.6
206.08133	7.9
208.09677	2.7
209.10463	0.9
216.06567	3.7
220.09705	19.8
222.11263	77.2
223.11775	1.1
224.09286	0.5
224.12778	0.7
234.07625	5.1
248.09192	13.1
252.08713	0.5
266.10251	72.5
267.10687	0.9
288.52576	0.4
361.13425	0.4
386.15955	4.9
522.23877	1.8
535.96411	0.5
548.21240	0.5
566.22253	0.6
593.32434	0.5
686.28088	100.0
687.28632	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	686.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03920	1.6
53.40397	0.4
53.53928	0.4
65.03911	0.6
70.47408	1.4
71.04980	0.4
71.29237	0.4
73.25781	0.4
77.03918	0.6
79.64345	0.4
85.02875	0.7
91.04979	0.7
91.05489	8.1
93.06485	0.4
93.07045	7.8
95.04940	1.8
98.20789	0.4
103.04885	0.5
103.05476	6.3
105.04497	1.0
117.05743	1.5
118.06546	5.3
120.04434	1.0
121.06510	32.7
122.06830	0.4
131.43636	0.4
132.08049	0.5
134.09630	1.4
136.07550	0.5
144.04451	3.4
146.06017	24.0
147.04424	0.6
148.03923	0.7
160.07518	0.6
161.51952	0.4
162.05524	2.6
162.09135	1.2
163.03908	0.7
164.07068	1.7
165.05489	0.4
172.03946	1.3
176.07043	1.5
178.08638	34.3
180.06516	0.5
187.75401	0.4
188.07050	6.5
190.05020	1.4
190.08638	5.8
194.08150	0.4
204.06560	1.4
204.10213	0.5
206.08141	9.6
208.09679	4.2
216.06548	4.2
220.09712	19.7
222.11266	77.5
223.11598	1.0
224.09102	0.5
224.13000	0.5
234.07602	6.6
248.09210	14.0
252.08591	0.8
266.10248	75.8
267.10638	1.1
286.72522	0.4
352.49338	0.5
358.11191	0.5
362.84918	0.5
386.15939	4.2
434.96359	0.5
517.16034	0.4
522.23615	1.5
566.22479	0.5
613.88855	0.4
686.28094	100.0
687.28589	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	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.8
55.05511	11.4
57.03239	1.3
57.03445	13.4
57.07079	1.8
59.04983	2.7
61.02926	4.8
65.03956	1.8
67.05507	100.0
69.03415	2.3
69.07072	10.8
70.70624	1.6
71.04985	4.3
71.18136	2.5
79.05495	20.8
81.07063	43.8
83.08629	9.2
85.02899	3.8
85.06546	3.9
91.05489	16.0
93.07050	27.3
95.05013	2.4
95.08607	30.7
97.02904	3.6
99.08036	2.0
100.18827	1.6
105.07026	7.8
107.08607	18.8
109.10160	76.0
111.08076	5.0
117.07021	4.3
119.04929	1.5
119.08584	10.9
120.64571	1.3
121.10143	14.9
123.08183	1.5
123.11676	4.8
131.08585	5.9
133.10141	6.7
135.04491	1.9
135.11699	6.9
137.09677	3.4
145.10156	4.6
147.11708	3.7
149.13278	4.3
153.01826	2.1
155.10655	4.5
159.11716	5.1
161.13274	3.3
163.14871	2.2
173.11763	15.5
173.13156	2.9
187.14758	1.8
227.12788	4.1
229.14354	91.6
243.21109	5.4
261.22195	18.8
287.05493	39.7
317.24677	2.6
335.25812	78.4
489.28958	3.1
489.35806	64.3
507.36539	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	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
53.11716	0.6
55.01881	1.2
55.05514	11.0
57.03443	13.9
57.07081	2.1
59.05008	3.1
61.02932	5.0
65.03941	2.9
66.33176	0.6
67.05508	96.8
69.03446	1.4
69.07073	8.2
69.28197	2.0
69.28610	3.8
71.05003	3.1
71.08643	0.7
73.02920	1.5
79.05499	18.5
79.05962	0.9
81.07062	34.9
83.05007	0.9
83.08633	7.9
85.02901	4.4
85.06548	2.9
87.04483	0.8
91.03960	1.2
91.05487	13.6
93.07052	24.3
95.04993	3.2
95.08613	25.6
97.02903	1.7
97.06558	1.6
97.10175	2.0
99.08060	1.0
105.04534	0.6
105.07047	7.5
107.08596	12.4
109.06506	1.0
109.10165	74.9
111.08105	4.3
117.07050	2.2
119.08595	13.6
121.10147	10.8
123.08096	1.0
123.11738	3.8
125.09676	1.5
127.11163	0.7
131.08566	5.8
133.10146	5.9
135.11708	8.1
137.09610	3.7
137.13210	1.3
145.10109	4.4
147.11714	4.0
149.13271	5.1
155.10677	5.8
159.11673	3.1
161.13350	2.8
163.14850	3.0
165.12738	0.9
173.11778	20.4
173.13287	3.4
175.14795	1.4
177.16431	1.2
184.07355	0.8
187.14841	1.9
189.11292	0.6
199.14824	0.9
201.16383	1.1
217.28252	0.6
218.23068	0.5
227.12805	5.2
229.14366	100.0
230.14697	1.4
233.22702	0.7
243.21165	4.1
261.22156	16.3
299.23795	0.6
317.24686	2.6
335.25824	71.3
336.26208	1.6
379.30014	1.0
397.30960	1.4
415.32068	1.3
471.34656	1.8
489.35785	47.5
490.35928	1.3
507.36713	4.4
686.45276	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39602	0.7
55.05519	1.2
57.03441	1.5
57.25005	0.8
61.02922	3.5
67.05511	5.9
69.03429	2.4
69.07058	1.9
69.96706	0.8
70.90168	2.0
73.02921	3.0
79.05482	5.6
81.03423	2.2
81.07055	5.4
83.04942	1.0
85.02914	3.0
91.03959	1.7
91.05476	5.9
93.07055	4.9
95.04999	2.7
95.08617	3.1
97.02908	3.1
97.67104	0.7
99.04442	0.9
101.02342	1.2
105.07045	3.4
107.04972	1.4
107.08611	1.8
109.02866	1.0
109.06572	0.9
109.10179	0.8
117.06996	1.1
119.08592	3.8
121.10142	1.2
127.03994	1.4
129.07072	1.5
133.10120	1.4
143.08577	1.2
145.10172	1.5
147.11746	2.3
161.13312	1.1
171.11745	1.9
184.07425	2.2
243.08372	1.7
247.13092	2.7
274.54163	0.7
281.17371	1.0
303.15573	1.4
391.88840	0.8
465.20987	14.9
590.30713	0.8
689.35065	100.0
690.35187	3.8
695.53552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.6
55.01868	9.4
55.05513	30.2
57.03440	14.2
61.02935	13.2
63.08362	2.2
64.78358	2.5
65.03941	6.1
67.05174	3.6
67.05508	53.8
68.03362	2.7
69.03434	26.6
69.07072	23.0
71.04998	15.1
71.57242	3.3
73.02918	9.8
79.05495	41.8
80.22859	2.6
81.03427	73.9
81.07059	61.2
83.04987	23.7
83.08619	9.4
85.02911	17.2
91.03953	6.4
91.05479	48.6
93.07048	44.3
95.04974	10.7
95.08615	40.9
97.02899	23.1
97.06538	8.3
97.10136	4.2
99.04459	10.2
105.07039	34.4
107.04966	4.8
107.08607	28.0
109.02878	9.6
109.06532	4.7
109.10156	15.4
109.84603	2.6
111.04439	6.3
111.08098	3.9
115.05453	3.8
117.07027	19.2
119.08598	26.3
121.06540	5.9
121.10160	23.9
123.11708	9.5
127.03962	12.3
128.06232	3.7
129.05496	12.0
129.06996	15.7
131.08580	35.1
133.06546	3.1
133.10152	19.2
135.11703	11.1
137.09538	3.1
141.06979	7.1
142.07814	3.9
143.08611	25.3
145.10138	25.3
147.11700	20.3
149.09543	3.6
149.13251	10.0
155.08580	11.3
157.10146	22.1
159.11711	25.2
161.13298	5.1
165.12738	4.4
167.08554	5.6
169.10149	18.1
171.11700	17.2
173.04489	31.2
173.13286	10.6
181.10136	5.5
183.11740	14.0
183.13844	3.2
184.07370	5.7
185.13287	16.1
187.14813	5.0
193.10153	4.5
195.11682	10.1
197.13243	9.2
199.14821	8.7
207.11679	4.8
209.13177	7.1
211.14857	4.2
221.13368	3.6
223.14931	4.8
259.20804	5.0
267.15884	6.4
269.17572	11.1
293.99817	2.7
295.20700	2.8
299.20193	3.5
335.25665	4.0
417.31314	4.5
435.32480	10.5
453.33414	7.7
471.34744	4.7
496.10309	3.1
509.36029	8.5
509.42896	2.5
515.37012	2.7
517.38843	6.1
525.35779	5.0
527.37378	100.0
528.37207	4.6
529.38824	3.8
538.13666	3.0
539.36975	7.0
543.35999	3.4
545.38544	12.4
569.38666	3.7
602.23712	5.0
635.39246	5.5
653.40540	7.4
671.41455	12.4
689.42554	73.2
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
51.47403	0.1
55.05516	0.1
56.05045	0.7
57.07069	0.1
58.06354	0.2
58.06625	0.4
59.07391	0.1
60.08166	5.8
67.05502	0.3
67.72305	0.1
69.07040	0.1
69.55447	0.8
70.06594	0.2
71.07378	3.1
74.05083	0.1
79.05504	0.2
81.07060	0.5
85.10159	0.1
86.09711	30.0
87.10060	0.1
93.07052	0.2
93.93583	0.1
95.08618	0.2
95.67289	0.1
98.97854	0.2
98.98474	3.0
104.10748	2.5
107.08564	0.2
109.10185	0.1
125.00012	20.3
143.01071	0.2
145.10129	0.2
146.20689	0.1
166.02583	0.2
184.07350	100.0
185.07689	0.4
221.55122	0.1
452.23688	0.1
496.33850	0.2
690.47162	10.1
691.47217	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	690.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.8
56.17207	0.6
57.03408	1.2
57.07054	1.2
60.08168	6.0
67.05505	6.7
69.07060	3.0
69.18089	6.2
69.18493	1.1
71.07371	3.0
79.05500	6.1
81.07068	6.7
83.08622	1.3
86.09714	26.6
87.21412	0.6
91.05493	6.2
93.07056	7.3
95.08611	5.7
97.45328	0.8
98.98471	3.0
104.10735	3.0
105.07019	5.9
107.08625	4.2
109.10153	2.8
117.07015	3.0
119.08574	5.4
120.97531	0.6
121.10136	4.8
123.11751	0.8
125.00010	19.9
129.07018	1.9
131.08577	3.2
133.10153	4.3
135.11676	2.5
143.08554	1.6
145.10146	3.9
147.11700	4.2
149.13266	1.5
155.08540	1.4
157.10147	1.9
159.11716	3.9
161.13278	1.3
169.10179	1.8
169.28920	0.7
171.11650	1.9
173.13214	1.4
175.14749	0.9
181.10025	0.8
183.11693	1.5
184.07350	100.0
189.16428	1.2
197.13326	0.8
199.14783	1.2
201.16339	0.9
223.14882	0.9
225.16400	1.0
229.16232	0.7
239.17914	1.6
251.18065	1.1
257.18924	1.1
259.20566	1.5
333.24234	1.7
335.26117	1.0
385.05493	0.7
517.40778	1.7
535.41833	1.0
591.44037	1.3
609.45050	15.6
611.01495	0.8
690.47107	12.5
705.60767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01863	4.1
55.05507	3.0
56.96548	1.4
57.03433	1.5
57.07074	3.2
58.99590	5.9
59.04997	3.6
62.99065	2.4
67.05510	10.9
69.03432	5.8
69.07064	6.8
70.06580	1.1
71.04648	1.9
71.05001	22.2
71.56602	1.4
73.01171	1.2
73.06573	1.5
75.02670	1.4
76.03986	4.1
79.05502	14.7
81.03426	1.3
81.07066	56.3
83.04980	3.6
83.08621	2.1
84.04507	2.6
85.02908	4.1
85.06547	6.5
86.09692	1.8
86.99061	3.2
90.64078	1.0
91.05482	6.5
93.07049	12.1
95.04957	3.3
95.08629	7.0
97.01120	2.4
97.06515	3.9
97.10173	3.7
99.02672	2.2
99.04440	1.4
99.08097	5.1
103.05470	2.6
105.07045	6.8
107.04998	1.1
107.08605	19.6
109.06526	8.6
109.10163	30.0
111.02704	5.6
111.03371	1.0
111.08082	1.5
111.11727	1.7
112.03993	3.3
113.04213	3.5
115.02157	6.7
116.00897	1.2
116.01690	20.1
119.01656	2.9
119.08608	2.0
121.06511	17.9
121.10152	11.2
123.08084	3.0
123.11725	31.7
125.04203	2.0
125.09635	14.2
127.05815	1.2
127.11179	2.3
128.03586	1.2
129.03709	2.3
130.05019	6.1
131.08527	2.0
133.10147	10.0
135.11716	1.4
137.05992	1.5
139.11197	10.8
141.03716	7.7
141.09154	1.2
143.10678	16.0
144.01151	6.9
149.09639	2.0
151.11198	70.6
153.73613	1.2
155.08852	1.7
157.10173	1.2
162.02200	17.0
163.03893	3.4
164.04199	1.1
164.07094	2.4
165.07307	2.0
169.12263	43.5
174.02228	1.5
180.03281	3.6
181.41101	1.3
182.41548	1.3
183.08403	5.8
186.05925	1.6
198.05856	1.7
201.09467	60.3
219.10507	11.1
232.06352	3.4
237.09464	1.3
244.06456	4.2
278.13983	1.3
284.13104	2.1
312.12668	37.1
330.13770	24.3
348.14789	84.6
366.96851	1.2
474.74249	1.4
479.18594	11.9
493.19904	1.6
511.21173	100.0
512.21613	3.0
521.19330	1.8
617.25385	9.3
691.28900	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	691.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01865	3.6
55.05518	3.9
56.83245	0.8
57.03428	1.4
57.07069	3.5
58.99590	5.1
59.04993	3.3
62.99067	1.3
64.37999	0.8
65.03928	1.3
67.05225	0.9
67.05512	10.4
69.03422	3.7
69.07076	7.0
70.06585	1.4
70.17156	0.8
71.05001	24.0
71.56538	1.3
73.06557	2.3
76.03993	2.6
77.03937	0.9
77.08436	0.9
79.05499	12.8
81.03414	1.2
81.07066	57.0
83.04971	3.4
83.08620	2.1
84.04499	2.7
85.01116	1.5
85.02915	1.8
85.06554	6.4
86.99062	3.0
88.02213	1.4
88.50105	0.7
89.03927	0.9
89.06057	1.4
91.05495	6.4
93.07050	10.3
95.04964	4.8
95.08607	7.7
97.01108	2.5
97.02874	0.9
97.06547	4.1
97.10173	2.5
99.02672	1.7
99.04494	0.9
99.08099	7.0
101.00601	1.1
103.02198	0.8
103.05456	1.6
105.07063	6.7
107.04954	1.5
107.08598	21.5
109.06527	9.2
109.10165	32.7
110.07130	1.3
111.02684	6.0
111.08063	1.9
112.03955	3.0
113.00578	1.5
113.04243	2.5
115.02187	4.6
116.01691	23.0
119.01649	5.0
119.08649	1.4
121.06522	15.7
121.10159	9.8
123.08083	2.8
123.11716	34.1
124.12063	1.0
125.04163	1.2
125.06005	0.9
125.09643	12.9
127.11216	4.3
129.03716	3.3
130.04988	6.4
130.83688	0.8
131.08519	1.1
133.10135	10.3
135.04416	1.1
135.11708	2.1
137.05969	1.1
137.09641	1.1
139.11206	10.7
141.03722	6.4
141.07320	1.5
143.10687	16.4
144.01170	6.7
145.02837	1.3
146.06036	1.1
147.04422	1.4
149.09659	1.4
151.11192	72.5
154.54155	0.8
155.08968	1.5
155.10667	1.1
159.08032	1.0
162.02222	19.2
163.03922	8.3
164.04208	1.3
164.07082	2.4
165.07346	1.1
169.12256	40.7
174.02219	2.6
178.01662	1.0
180.03253	3.3
183.08403	7.0
185.09840	1.5
186.05846	2.1
190.01694	2.0
198.05879	3.2
200.49777	0.8
201.09465	63.4
204.06633	2.4
208.09695	0.9
213.09045	1.1
214.05322	2.1
219.10576	8.3
220.09666	1.6
221.33664	0.8
227.10733	1.0
232.06433	3.4
244.06400	3.8
277.08228	1.2
284.13126	2.9
295.78369	0.9
312.12671	33.5
330.13757	23.0
348.14795	80.8
349.14908	2.2
365.17203	1.0
367.77609	1.0
397.13632	1.0
479.18570	9.9
493.19885	3.1
511.21170	100.0
512.21332	2.6
522.95062	0.9
599.24579	1.3
617.25287	9.5
659.25830	1.0
691.28937	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	691.403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01889	0.4
55.05516	1.2
55.27875	0.3
57.03442	1.9
59.05003	0.5
61.02932	4.5
67.05509	7.7
69.03425	2.4
69.07066	1.0
71.01578	0.5
71.05008	0.9
73.02926	3.7
79.05494	2.4
81.03423	1.3
81.07071	3.4
83.08630	0.8
84.92522	0.4
85.02912	4.0
87.04488	0.6
88.52229	0.3
91.03970	2.9
91.05497	1.8
93.07045	3.0
95.04967	0.9
95.08083	0.4
95.08608	3.1
97.02898	3.9
99.04473	1.0
101.02373	2.0
103.03939	0.7
104.14087	0.4
105.07044	1.3
107.08601	1.3
109.02915	0.7
109.10168	7.1
115.03954	0.6
117.07020	0.5
119.08616	1.3
121.06530	0.4
121.10172	0.8
127.03938	1.2
131.08606	0.7
133.10143	0.7
135.11734	0.5
147.11711	0.4
149.13358	0.4
155.10675	0.6
167.23010	0.4
173.11766	1.2
184.07378	0.9
185.04314	0.7
185.25192	0.3
195.09981	0.6
210.24835	0.3
229.14468	0.9
243.08432	2.4
244.97708	0.3
251.12791	0.4
288.43149	0.4
323.58389	0.4
413.17838	9.4
413.23007	0.6
502.35757	0.4
514.03094	0.5
519.29236	4.6
529.38818	0.5
619.39166	0.4
691.40314	100.0
692.40875	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	691.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05518	1.3
57.03440	1.7
61.02937	4.3
67.05499	5.9
69.03434	3.7
69.07072	1.2
71.05018	0.8
73.02927	4.0
79.05488	2.4
81.03425	1.5
81.07059	4.8
83.08638	1.0
85.02913	5.0
91.03963	4.5
91.05501	2.0
93.07047	3.1
95.08614	3.7
97.02901	4.5
101.02391	1.9
105.07052	1.1
107.08607	2.4
109.02885	0.9
109.10182	5.4
115.03984	0.9
119.08565	0.9
121.10149	0.8
121.45889	0.6
123.11732	0.7
127.03934	1.5
131.08574	0.9
135.11746	0.8
147.11745	1.0
162.60931	0.6
173.11726	0.7
195.09999	1.1
201.69289	0.6
203.05394	0.8
229.14435	1.1
241.39609	0.7
243.08569	1.5
408.98788	0.7
413.18024	5.1
519.29456	7.5
555.78766	0.7
691.40308	100.0
692.40692	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	694.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03973	0.4
55.01866	1.1
55.05511	0.8
63.36678	0.4
65.03944	4.3
65.85110	0.4
67.05507	3.2
68.34406	0.3
69.03430	0.9
69.07066	1.1
71.58054	0.3
79.05504	1.7
81.03423	0.6
81.07061	6.6
85.02900	0.6
85.50703	0.4
89.03912	3.4
91.05487	3.1
93.03406	6.9
93.07040	2.3
95.05025	0.7
95.08606	4.2
96.08916	0.4
97.02893	100.0
98.97563	0.5
104.05205	0.3
105.07032	8.0
107.04955	1.4
107.08585	2.8
109.10149	2.5
110.03644	0.5
111.04439	0.9
113.99145	0.4
114.05517	0.4
115.05460	1.0
117.03382	5.3
117.07022	0.9
119.08591	6.4
121.02882	2.0
121.06496	0.4
121.10163	1.7
123.04410	1.0
123.11690	1.7
125.02356	0.6
128.06265	1.4
129.07013	8.8
131.04945	0.4
131.08578	1.0
133.10130	3.5
135.04417	10.9
135.11671	1.6
137.02361	3.5
137.03340	0.6
139.03929	1.1
139.05423	1.6
141.07004	3.3
143.08495	0.4
145.02861	9.7
145.06465	0.5
145.10127	1.1
147.04410	1.0
147.08058	1.2
147.11691	15.9
149.02354	5.5
157.06511	8.1
157.10103	0.4
159.11708	0.8
159.90092	0.4
160.05208	0.7
161.06035	0.4
161.13208	2.0
163.03906	90.2
163.14777	3.0
164.04239	0.7
167.03415	27.5
167.04843	1.4
169.06464	2.9
173.05988	3.1
174.06821	1.9
175.03946	0.8
175.07545	17.9
175.14828	0.9
185.05980	13.5
185.07661	0.6
187.07611	1.6
195.04463	0.7
197.06013	0.6
201.05475	2.8
201.16440	0.8
203.07042	8.9
203.17955	17.8
205.19649	0.4
213.05478	7.7
221.19016	1.5
227.18013	0.5
231.06511	18.4
232.13385	0.9
241.04961	1.0
249.07491	0.4
259.05997	4.8
277.07080	69.6
278.07434	0.8
295.08163	11.9
299.20035	1.2
325.09036	0.9
337.21741	0.4
439.12064	0.4
457.13730	0.5
607.53790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01862	0.9
55.05493	2.4
57.03437	2.8
67.05505	4.1
69.07081	1.2
71.04972	1.3
71.17401	1.3
72.04525	0.8
79.05496	3.2
81.03416	2.0
81.07065	7.1
83.04982	7.0
85.02910	0.9
85.06549	0.7
86.09750	0.6
91.05496	4.8
93.07042	6.1
95.04969	1.9
95.08617	3.1
97.02913	0.6
97.06488	0.8
103.05482	1.3
105.07028	3.3
106.06581	0.8
107.04954	2.9
107.08597	2.3
109.06528	1.8
109.10126	1.3
111.04461	5.7
117.07049	1.5
119.08562	1.6
119.99969	0.5
120.05705	1.1
120.08146	0.7
121.06514	13.2
121.10119	1.1
122.05999	0.8
123.08086	1.3
129.06973	0.9
130.06543	0.5
131.08585	2.1
132.04453	0.8
133.06461	0.8
133.10121	1.8
135.08034	0.9
135.11665	1.9
137.04749	1.2
137.09583	0.7
138.05511	0.5
141.06920	0.6
143.08543	1.0
144.08177	0.6
145.06523	1.8
145.10123	1.2
147.08040	0.7
147.11693	0.9
149.13289	0.9
150.05515	4.9
151.06369	2.7
151.07443	0.6
157.10117	0.7
159.08054	0.9
159.11766	0.9
161.09599	0.9
164.07079	31.8
169.07396	1.2
169.10185	0.7
173.09633	0.9
176.07121	0.9
177.12758	1.3
181.07343	7.5
184.07295	0.8
190.08623	1.9
194.08157	16.8
195.08939	14.4
205.15881	1.4
206.08116	0.9
207.08884	0.7
208.09706	100.0
209.10110	1.4
218.08138	2.1
219.08875	0.8
220.09682	4.7
232.09756	1.2
233.15385	1.2
234.11264	7.7
240.10231	0.7
243.17403	0.6
246.11238	0.9
248.09288	0.9
255.08992	0.5
258.11304	1.5
260.12848	2.2
261.18515	1.9
271.16925	1.5
274.14471	0.6
276.12381	1.8
278.14075	0.6
289.17993	10.6
300.12622	0.9
301.13150	1.6
302.13858	0.7
307.19168	4.7
314.13904	12.9
340.15530	0.7
356.15088	0.7
364.15164	0.7
380.45004	0.7
388.17569	6.3
426.22522	1.0
430.22385	1.4
464.23969	0.7
482.25436	10.6
496.26917	1.1
500.26443	15.0
504.29758	0.5
514.28052	52.0
515.28119	1.7
542.27563	4.3
620.32257	40.4
621.32214	1.1
662.33289	12.6
694.36176	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	694.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01879	0.6
55.05511	8.7
56.13614	0.4
57.03440	5.4
57.07079	3.1
61.02929	24.5
64.27943	0.5
65.03941	1.6
67.05507	53.8
69.03436	3.6
69.07072	9.8
69.36677	3.8
71.04986	2.3
71.08626	0.7
73.02502	0.5
73.02922	9.1
75.04486	0.6
77.03899	0.4
79.05497	31.7
81.03423	1.6
81.07060	60.6
83.04996	1.2
83.08622	6.0
85.02908	30.4
85.06550	2.4
91.03960	26.6
91.04881	0.7
91.05482	17.6
93.07048	48.0
95.04966	1.8
95.08610	47.7
97.02895	14.4
97.06542	2.1
97.10165	3.0
99.04469	1.4
99.08108	1.8
103.03900	0.5
103.05428	0.5
105.06498	0.3
105.07035	14.3
107.08600	31.7
109.02873	0.9
109.06534	1.2
109.10160	27.5
110.10511	0.4
111.08086	2.2
111.11754	0.7
113.09687	1.0
115.03931	1.6
117.07017	6.6
119.06049	0.5
119.08586	14.0
121.10148	28.5
123.08054	1.4
123.11710	15.7
125.09627	1.9
127.03924	11.7
127.11177	0.5
129.05431	0.5
129.06978	0.9
131.07574	0.8
131.08572	17.0
133.10132	12.3
135.11700	23.7
137.09653	1.7
137.13257	5.7
139.11176	1.6
141.12746	0.5
145.04962	12.8
145.10132	13.3
147.11693	10.6
149.09639	0.6
149.13260	18.5
151.11163	1.5
151.14795	2.4
153.12799	1.3
159.11699	11.7
161.13249	9.0
163.06018	23.0
163.11156	0.7
163.14824	16.7
165.12775	2.9
165.16396	0.7
167.14320	0.6
173.13272	13.0
175.14783	3.4
177.12811	1.0
177.16399	7.3
179.14307	3.1
187.14809	8.5
189.16431	1.0
191.14310	1.9
201.16362	2.8
205.15883	1.8
215.17982	1.8
217.14336	0.5
219.17412	1.3
233.22607	3.1
243.21091	35.4
245.22655	0.9
261.22150	100.0
262.22559	1.7
263.23709	2.5
269.17404	0.5
279.20071	0.7
279.23038	2.8
297.20575	0.8
317.24881	0.6
335.25830	19.1
336.26083	0.9
353.26880	66.6
354.27145	1.4
362.96259	0.4
378.15662	0.5
439.30444	0.6
443.28027	0.5
497.30640	0.7
524.81506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01868	7.3
55.05518	29.0
57.03447	33.5
57.07076	5.2
59.83839	2.4
61.02641	3.8
61.02930	50.9
65.03919	4.5
67.05508	88.8
69.03430	31.8
69.07075	29.3
71.04983	8.6
71.58940	2.4
73.02930	20.0
75.04498	18.7
79.05498	76.4
81.03418	35.0
81.06580	5.0
81.07061	100.0
83.04993	14.3
83.08628	14.3
85.02911	87.5
85.03429	3.6
85.06559	4.0
91.03958	58.4
91.05488	63.2
93.05525	73.8
93.07047	99.4
94.12580	2.4
94.54782	2.4
95.01341	3.2
95.04977	14.2
95.08615	78.6
97.02898	44.5
97.06532	8.1
97.10178	5.5
99.04470	13.5
99.08094	3.3
103.03951	9.2
105.07040	66.1
107.04960	9.2
107.08604	60.5
109.02882	8.7
109.06560	11.7
109.10171	33.6
111.04433	10.4
111.08092	5.3
113.09653	2.5
115.03910	5.5
115.05492	5.9
117.07028	36.4
119.08582	54.0
121.06516	7.4
121.10153	45.4
123.04468	5.9
123.08073	6.4
123.11727	15.1
125.06009	3.0
125.09621	4.7
127.03915	28.3
128.06244	3.7
129.05502	6.1
129.06981	15.7
131.04889	3.4
131.08572	45.8
133.06490	9.5
133.10135	36.2
135.08080	10.6
135.11713	27.6
135.76295	2.4
137.05995	4.5
137.09575	5.2
141.06964	9.1
143.08594	15.4
145.04974	33.8
145.06477	3.6
145.10129	37.3
147.04405	2.7
147.08096	8.7
147.11697	32.5
149.09622	6.3
149.13248	16.8
151.07536	3.8
151.11185	2.7
154.07771	2.9
155.08615	8.7
157.10126	18.6
159.08073	3.1
159.11710	33.6
161.09662	5.0
161.13327	17.0
163.06029	67.1
163.11230	6.5
163.14835	7.2
167.08600	6.6
169.10143	10.0
171.08105	4.5
171.11673	12.7
173.09625	6.3
173.13251	22.5
175.07721	2.3
175.11226	5.9
175.14839	7.8
181.10088	4.7
183.07997	2.8
183.11720	8.5
185.09691	5.4
185.13278	12.3
187.11188	4.9
187.14854	11.3
193.12228	3.4
195.11716	3.9
197.13310	6.5
199.11256	3.3
199.14874	7.3
201.16403	2.6
203.14410	3.5
205.15994	3.2
209.13185	4.5
211.11270	2.7
211.14693	2.6
213.12738	3.6
213.16525	4.5
215.17844	3.1
217.15892	3.1
219.13828	2.8
225.12798	4.3
227.14259	3.0
233.15425	3.8
235.13367	4.7
239.14139	3.0
241.19547	2.8
243.21281	4.0
249.15018	3.7
255.10712	17.8
259.20566	8.5
261.22101	20.3
273.22177	8.4
277.14407	8.3
277.21765	14.7
279.23279	3.8
279.32227	2.6
283.20529	3.6
285.22144	6.2
289.18408	3.3
289.21628	8.9
291.23181	10.5
292.59067	3.1
297.22168	3.5
301.21713	7.4
303.23093	17.5
309.22061	2.9
313.21802	5.6
315.23236	11.8
317.24542	2.8
319.22818	3.3
323.23685	3.3
327.23285	8.7
331.22809	6.9
333.22220	2.9
341.24664	14.9
343.22580	4.5
345.24286	9.8
351.23129	18.8
359.25882	3.5
369.24255	74.4
387.25302	63.5
405.26379	92.0
406.26724	3.2
423.27444	35.1
466.21161	2.6
497.31161	7.3
567.31750	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	694.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.8
55.01866	8.4
55.05518	31.2
56.29891	4.4
57.03427	11.4
57.07078	6.3
65.03925	6.9
67.05511	93.8
69.07081	42.8
70.53440	4.9
71.04986	7.5
71.57070	6.1
73.06512	3.9
75.01138	3.6
79.05501	73.5
81.03412	8.4
81.07064	100.0
83.04980	19.3
83.08623	23.6
85.06587	3.7
88.66077	4.1
91.05485	77.6
91.06018	7.6
93.07055	76.6
95.04971	13.7
95.08612	51.0
97.06552	21.2
97.10166	8.4
99.08145	4.0
105.07040	60.7
107.04974	12.3
107.08613	43.2
109.06496	7.9
109.10155	14.9
110.86768	4.6
111.08074	12.4
114.29958	4.2
115.05483	3.9
117.07043	27.8
119.08593	42.2
121.04408	4.1
121.06504	10.6
121.10124	28.0
123.08092	7.3
123.11752	6.1
125.09630	8.0
129.07021	14.0
131.08577	33.5
133.10138	38.2
135.08061	7.8
135.11691	26.7
143.08549	8.5
145.10175	24.0
147.11739	18.3
149.09602	19.2
149.13261	12.6
155.08643	6.4
157.10133	9.4
159.11765	19.4
161.09645	5.3
161.13248	6.7
163.11212	14.8
169.10201	5.2
171.11678	9.8
173.13269	13.9
177.12717	5.7
179.14279	5.4
181.12492	4.6
183.11678	6.3
184.07420	18.4
189.11230	6.1
195.13809	8.5
197.13266	4.3
227.12775	14.9
229.19272	5.0
239.18025	9.1
252.45659	3.9
255.16002	18.2
257.19153	11.1
269.17468	32.5
275.20099	47.7
314.81580	4.9
349.23795	40.6
436.84601	4.4
449.29022	16.3
463.30405	16.6
529.35486	7.1
543.36932	31.2
561.38385	6.9
623.43030	8.7
641.44086	4.6
694.47131	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	696.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13350	0.1
51.16478	0.1
53.03936	0.8
54.71129	0.2
55.01861	0.3
55.05490	0.2
57.03437	1.7
61.02912	0.2
65.03930	0.7
67.01859	0.5
68.99788	0.2
69.03439	1.4
71.01336	0.2
71.04993	11.5
71.57104	0.2
71.57450	0.1
73.02905	0.2
75.04479	0.3
78.20156	0.1
81.03417	2.4
83.01295	0.2
83.04982	0.9
83.80926	0.1
85.02905	12.3
87.00826	0.6
87.04458	0.4
91.05482	6.5
93.07025	0.3
95.04945	0.2
97.02888	3.0
99.04466	1.1
103.05441	0.2
107.04995	0.4
109.02879	3.5
111.04428	0.6
119.04946	17.9
121.06512	3.0
127.03912	3.4
129.05487	3.3
141.06992	0.2
145.06537	0.2
146.07089	0.1
146.08139	0.6
147.04411	100.0
148.04745	0.8
163.03912	0.3
163.07524	0.3
164.09174	1.6
165.05489	6.1
166.05927	0.2
173.02318	0.9
173.06033	0.2
177.05630	0.2
181.06490	0.4
183.07979	0.2
185.05942	0.3
187.07509	0.2
191.03329	0.8
199.03851	0.2
205.06496	0.2
209.06007	0.3
211.07530	0.4
213.03969	0.7
213.05704	0.4
227.07155	0.2
229.08548	0.4
231.04689	0.2
231.06587	0.6
237.05472	0.3
237.07675	0.3
255.06526	3.6
257.08032	0.2
273.07495	0.5
285.11142	1.0
291.08652	0.9
293.10095	0.4
323.07568	0.2
359.07452	0.9
377.08667	0.6
395.09732	22.2
396.10187	0.5
410.74744	0.2
449.81787	0.2
498.17096	0.2
505.13538	0.2
523.14691	0.2
541.15662	0.4
693.98291	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13790	0.6
53.03955	0.9
55.01883	1.3
55.05512	2.4
55.48153	0.5
57.07067	1.0
65.03954	2.9
67.05508	4.4
69.03417	0.8
69.07066	4.0
69.61207	3.6
79.05495	5.9
80.56111	0.6
81.07061	35.7
83.05005	0.9
83.08628	1.6
85.02914	0.9
89.03937	2.6
91.05475	3.0
93.03413	6.0
93.07050	24.2
95.04973	1.2
95.08045	1.0
95.08613	11.6
97.02900	99.4
97.10164	1.2
98.97562	1.0
105.07021	3.5
107.05017	1.2
107.08600	10.7
109.10165	10.2
111.04466	1.3
111.11746	1.3
117.03396	2.9
119.08583	1.5
121.02917	1.3
121.10151	92.3
122.10532	0.8
123.04469	0.7
123.11704	4.2
128.06268	0.9
129.07016	5.9
131.08578	0.7
135.04428	6.4
135.11710	6.8
137.02322	2.9
137.06010	1.2
137.13202	0.5
139.05496	0.9
141.07010	1.8
145.02856	5.7
145.10071	1.0
147.04437	2.2
147.11736	1.0
149.02330	3.4
149.13266	18.0
151.03899	1.1
157.06519	5.7
163.03917	73.5
163.14845	1.2
164.04285	1.2
167.03418	38.7
167.04713	1.4
169.06503	2.5
173.06013	2.4
174.06729	0.8
175.04042	0.7
175.07570	13.7
181.04932	0.6
185.05998	10.2
187.07564	1.4
201.05522	2.5
201.16258	0.7
203.07057	7.9
203.18019	1.1
205.19531	78.5
206.19945	1.2
213.05493	6.2
215.07011	0.8
222.22133	0.8
231.06537	18.8
237.00771	0.6
241.04781	0.6
249.07542	0.6
259.06067	5.1
277.07092	100.0
278.07489	1.7
280.22424	0.7
295.08151	21.1
317.82120	0.6
427.00482	0.6
439.12421	1.2
457.13318	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.05513	11.9
57.03432	5.0
57.07077	7.8
61.02927	23.8
65.03902	1.2
66.14742	0.8
67.05502	57.9
69.03422	2.5
69.06729	1.3
69.07069	18.5
69.47906	2.1
69.48328	3.5
71.04978	1.5
71.08624	4.5
73.02914	7.5
79.05066	1.3
79.05489	16.9
81.03413	1.3
81.07053	74.3
82.07405	1.1
83.04960	1.4
83.08135	1.3
83.08614	15.4
85.02904	29.7
85.06523	2.5
85.10167	2.3
91.03952	23.5
91.05474	11.8
93.07044	20.3
95.04979	1.0
95.08603	58.4
97.02889	14.9
97.06539	6.1
97.10168	9.7
97.59073	0.7
99.04425	2.1
99.08084	2.9
103.03977	0.8
105.07024	8.1
107.08590	12.7
109.02906	1.3
109.10149	31.2
111.08083	3.8
111.11692	2.1
113.09606	1.7
115.03925	1.9
117.07003	0.9
119.08588	9.6
121.10137	18.3
123.11696	17.7
125.09616	1.6
125.13294	1.0
127.03904	8.0
127.11169	1.4
127.88490	0.7
129.05444	0.7
133.10118	13.9
135.11694	10.7
137.09590	1.2
137.13263	7.0
139.11154	0.8
141.12729	3.4
145.04958	12.2
147.11688	8.7
149.13246	8.2
151.11127	1.2
151.14806	6.0
153.12682	1.0
155.14291	3.1
161.13252	13.0
163.06026	23.8
163.14803	9.1
165.16385	8.8
173.13394	0.8
175.14815	9.3
177.16402	2.3
179.14270	1.2
179.17929	7.9
181.15906	0.9
189.16379	4.1
193.15912	0.9
203.17946	1.4
217.19467	1.3
245.22641	64.2
247.24303	0.8
263.23697	100.0
264.24069	2.0
265.25235	3.5
277.41467	0.8
281.24771	2.7
337.27353	44.5
342.95953	0.8
355.28452	12.6
446.70779	0.9
499.32443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05270	0.9
55.05518	15.1
56.31965	0.8
57.03226	0.7
57.03444	7.0
57.07086	8.3
61.02930	26.0
62.33311	0.7
65.03931	2.1
67.05509	62.0
69.03428	3.0
69.07074	21.5
69.07454	1.0
71.04994	3.2
71.08644	4.7
71.49287	1.1
73.02925	8.2
75.04471	1.0
79.05497	16.8
81.03416	1.3
81.07063	77.5
83.04974	1.8
83.08624	16.6
85.02908	28.9
85.06544	2.2
85.10173	2.9
91.03966	26.0
91.05490	15.6
93.07051	19.7
95.04981	2.2
95.08613	68.1
95.89957	0.8
97.02909	13.5
97.06557	6.5
97.10171	13.3
99.04440	1.7
99.08109	4.0
105.07038	11.3
105.94562	0.7
107.08601	16.9
109.02874	1.2
109.06554	1.0
109.10164	38.3
111.08109	4.3
111.11727	3.6
111.42964	0.7
113.09652	1.9
115.03931	1.3
119.08589	12.0
121.10152	20.0
123.08057	1.2
123.11713	18.3
125.09653	1.4
125.13280	2.4
127.03936	10.6
127.11216	1.9
129.32683	0.8
133.10139	14.6
135.11696	11.8
137.09645	1.9
137.13289	6.9
139.11180	1.6
141.12755	2.8
145.04962	11.8
147.11714	12.3
149.13275	9.5
151.11211	1.0
151.14818	7.7
153.12791	1.3
155.14334	3.8
161.13268	13.7
163.06026	20.3
163.14825	10.7
165.12796	1.5
165.16411	9.6
167.14333	1.1
175.14827	14.1
177.16423	2.1
179.14372	1.0
179.17982	8.7
181.15837	1.5
189.16385	5.0
193.15935	2.0
203.18025	2.0
203.44875	0.8
245.22670	63.7
263.23712	100.0
264.24023	2.6
265.25369	0.9
281.24796	2.6
283.02777	0.9
337.27383	71.6
338.27722	1.2
355.28436	17.1
499.32425	5.4
686.79498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.05511	16.6
57.07086	3.9
63.43042	3.4
63.83168	3.7
65.03984	3.3
66.50724	3.0
67.05522	27.7
69.03424	8.9
69.07071	19.2
71.04993	24.3
79.05499	36.6
81.03422	10.3
81.07062	100.0
83.04978	4.0
83.08636	8.1
91.05479	24.6
93.07047	48.8
95.04976	6.5
95.08619	51.3
97.10162	3.7
104.26774	3.2
105.07040	53.4
107.08598	56.6
109.10188	33.5
117.07021	6.1
119.08589	64.0
121.10180	17.7
123.11743	21.8
125.09604	7.2
127.11191	17.5
129.06985	3.8
131.08572	15.0
133.10144	45.8
134.04126	3.6
135.11711	94.1
137.09595	3.8
137.13260	5.5
143.08594	8.9
143.10706	9.5
145.10155	11.6
147.11726	26.4
149.09668	4.1
149.13286	8.0
150.98103	3.5
153.12715	9.2
157.10100	5.8
159.11725	9.9
161.13292	18.1
169.10194	4.8
171.11685	6.5
173.13261	6.0
175.14799	9.7
187.14780	4.0
199.14821	4.8
203.17969	44.3
221.19040	46.6
241.19588	4.2
271.06076	4.3
303.23328	5.7
341.25024	4.7
351.23260	5.4
369.24216	17.2
387.25156	17.1
397.79300	4.0
405.26294	17.2
423.27460	5.0
424.56393	3.7
626.22992	4.6
696.38776	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	696.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.05267	0.4
55.05512	5.5
56.05036	3.2
57.03413	0.4
57.07072	3.1
58.06586	0.9
60.04525	2.2
61.02919	0.6
65.03948	0.8
65.04819	0.3
67.05509	11.6
68.05004	0.8
69.03433	2.1
69.07072	7.4
69.35480	2.5
70.06586	2.0
71.08607	1.3
72.08160	1.5
76.03989	0.3
76.31243	0.3
79.05063	0.7
79.05493	8.1
80.05021	3.3
81.03408	1.1
81.05810	1.6
81.07063	9.6
81.93044	0.3
82.06124	0.4
82.06583	5.6
83.08630	3.9
84.08130	0.7
85.02908	3.8
85.10188	0.8
91.04967	0.5
91.05483	7.8
93.05785	0.8
93.06476	0.5
93.07053	9.1
94.06571	17.1
95.04949	0.9
95.07352	7.9
95.08607	8.1
96.08130	6.1
97.02885	2.4
97.10188	2.1
100.07587	0.5
105.04531	0.4
105.06374	0.5
105.07037	6.1
107.07373	0.5
107.08595	4.4
108.08132	3.4
109.02888	0.6
109.10160	3.2
110.09707	0.5
111.08126	0.4
111.11713	1.1
117.07021	0.4
119.08580	5.2
120.08051	0.5
121.08840	0.7
121.09239	0.3
121.10147	5.5
122.09670	1.4
123.11689	1.1
124.11174	0.3
127.03927	0.7
131.08661	0.3
133.10138	4.5
134.09624	0.5
135.10507	0.8
135.11679	2.8
136.11218	1.0
137.13237	0.7
147.11662	1.6
149.13243	1.1
151.14810	0.6
161.13240	1.0
163.14816	0.7
169.15703	0.4
175.14754	0.3
191.17865	0.3
219.21106	0.9
220.20454	0.4
233.22687	3.3
234.22153	0.9
237.22110	0.4
245.22653	3.9
247.24335	0.4
250.25336	6.0
254.24867	1.5
260.23813	0.5
262.25311	100.0
263.25854	1.5
264.26886	0.8
272.25894	4.8
280.26370	5.3
296.25885	0.4
311.98087	0.3
312.25244	0.8
314.26614	0.3
396.41327	0.3
442.31360	0.6
504.47800	4.0
516.47791	33.2
517.48102	0.8
518.49341	8.7
519.49597	0.3
534.48926	8.3
535.48688	0.3
696.54132	6.4
711.74115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03766	0.2
51.04944	0.2
52.03352	0.1
52.16417	0.2
53.03932	0.5
63.02379	0.2
69.03423	0.6
69.92448	0.6
69.92850	0.3
70.06586	0.2
71.04996	0.2
78.54813	0.2
79.05506	0.8
81.03423	3.5
85.02907	1.2
89.03920	4.6
91.05476	0.3
91.54091	0.2
97.02895	0.8
97.47693	0.2
99.04468	0.4
107.04951	1.8
109.02911	1.1
115.05490	0.1
117.03387	7.2
120.14464	0.1
121.06492	0.3
122.03655	0.3
127.03922	0.4
135.04422	13.5
137.05992	4.2
137.06909	0.1
138.06314	0.4
145.02855	10.8
147.04411	0.2
149.05920	0.2
151.03940	0.5
151.07556	2.7
157.06538	0.3
159.08136	0.2
163.03909	100.0
164.04243	1.2
165.05461	0.3
167.03455	0.2
167.07065	0.3
174.06779	0.3
175.07536	0.5
177.05498	0.7
180.51076	0.2
181.04965	3.7
186.05521	0.5
187.07521	0.3
189.09082	0.6
199.07477	0.2
201.09126	0.7
203.10751	0.2
265.07205	0.2
276.20877	0.2
284.10303	0.2
285.11230	0.2
305.11908	0.2
306.12396	0.2
307.08102	3.7
311.12985	0.2
325.09180	3.9
337.14297	0.8
355.15335	0.8
371.14929	0.3
497.56909	0.2
697.24664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86416	1.8
54.42518	1.6
55.05504	4.8
57.01671	1.5
57.03436	2.3
59.05000	2.0
61.02909	2.7
67.05505	3.6
68.83929	1.7
69.03427	6.9
69.06718	2.8
69.07072	42.5
69.77627	10.0
70.06594	2.6
71.05000	49.1
73.02903	1.7
73.06558	4.4
81.03416	2.6
81.07047	6.7
83.04978	2.2
85.02908	32.4
91.03935	2.1
91.05482	3.8
93.07051	6.2
95.04972	1.7
97.02908	8.0
97.06538	100.0
98.21460	3.6
105.07006	1.9
107.08591	7.0
109.02895	2.3
109.06516	3.9
109.10135	7.5
111.08071	2.8
121.06494	6.0
121.10096	2.3
123.08100	2.2
123.11720	10.3
127.03896	7.6
133.10144	2.5
139.11147	2.2
141.12849	2.1
145.04974	15.2
151.07654	1.8
151.11192	18.9
163.03923	12.1
163.06059	10.4
163.29131	1.7
165.05505	1.9
169.12253	79.6
179.07034	4.5
181.08653	4.8
183.06616	2.3
187.13281	4.3
192.13240	1.7
219.83511	1.4
227.09219	3.3
247.84915	1.8
322.83963	1.6
367.58890	2.0
697.24561	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	698.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.05512	24.9
57.03439	7.4
57.07076	16.6
60.78242	0.9
61.02646	1.7
61.02927	23.6
64.82176	0.9
65.03936	0.9
66.23763	0.8
66.69484	0.8
67.05508	33.3
68.56428	0.7
69.03429	2.6
69.07069	48.0
71.04993	2.2
71.08640	10.0
71.40128	1.0
73.02924	8.6
75.04475	2.6
79.05495	15.6
81.03371	1.0
81.07059	47.9
81.91600	0.9
83.04996	1.3
83.08620	41.2
84.96018	1.5
85.02906	28.1
85.06541	2.3
85.10164	4.4
90.71446	0.8
91.03957	24.3
91.05475	2.7
93.06470	1.6
93.07045	20.5
95.08611	43.8
97.02895	13.0
97.06532	10.4
97.10174	23.8
99.04411	1.5
99.08081	1.8
105.06976	1.5
107.04984	1.8
107.08586	17.8
109.10159	25.0
111.08091	5.0
111.11713	8.3
115.03974	1.2
117.05460	0.9
119.08604	1.2
121.10149	39.0
123.11716	8.9
125.09618	4.0
125.13298	2.5
127.03899	9.0
127.11247	1.2
133.10130	1.3
135.11696	36.0
137.13223	2.9
139.11160	3.1
143.14287	1.3
145.04955	11.5
147.11667	0.9
149.13260	13.4
151.14832	5.1
153.12811	1.8
163.06030	19.1
163.14815	6.1
165.16437	4.9
167.14337	1.7
175.14856	1.2
177.16408	2.5
181.15868	1.2
185.15437	1.9
191.17908	2.7
247.24217	31.4
265.25266	87.3
266.25558	1.5
283.26318	21.9
317.17889	1.4
339.28946	100.0
340.29214	2.2
357.30005	70.4
359.19104	1.7
372.25665	1.0
457.36786	1.6
483.33203	1.2
501.34399	6.5
633.88092	1.0
657.36774	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
53.67911	0.9
54.33295	0.8
55.05518	23.8
57.03445	8.0
57.07084	15.6
59.87524	1.0
61.02650	1.7
61.02934	25.8
64.26498	1.0
65.03930	1.1
67.05511	36.2
69.03426	2.7
69.07076	47.3
69.93687	2.5
69.94086	2.0
71.04990	3.6
71.08633	8.3
73.02926	10.9
75.04514	2.0
79.05502	17.3
81.03426	1.4
81.07065	45.2
83.04997	1.7
83.08627	37.3
85.02914	33.9
85.06536	1.6
85.10188	6.9
91.03963	31.5
91.05456	2.0
93.07053	23.6
95.08617	48.2
97.02904	15.6
97.06527	8.6
97.10181	27.3
99.04437	2.1
99.08087	2.5
103.03937	1.0
107.08609	20.1
109.02907	2.0
109.09462	1.5
109.10165	23.5
111.08112	5.3
111.11739	10.1
113.09641	1.1
115.03909	1.1
121.10153	42.8
122.10444	1.2
123.11709	9.7
125.09622	3.7
125.13275	2.3
127.03935	10.8
135.10686	1.8
135.11707	33.8
137.13278	5.0
139.11165	3.9
140.34900	0.9
143.10689	1.4
143.14388	1.4
143.58237	0.8
145.04979	14.6
149.13261	14.7
151.14847	4.6
153.12775	2.3
157.12125	1.0
163.06030	25.0
163.14825	6.5
165.16408	5.6
167.14323	1.0
171.13780	1.2
177.16391	3.2
179.17842	1.2
181.15794	1.1
191.17944	3.6
195.17410	1.1
201.26663	0.9
205.19476	1.0
218.90109	1.0
247.24237	36.7
265.25290	100.0
266.25616	2.0
283.26337	21.4
339.28976	89.5
340.29211	1.5
357.30038	79.1
358.30392	2.0
419.22992	1.0
524.55060	1.0
698.23785	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01860	2.2
57.03425	1.4
61.02930	1.0
65.03920	1.6
69.03419	4.4
70.06586	1.2
71.04993	1.3
71.59301	1.1
79.05497	2.9
81.03408	1.9
81.04838	0.9
81.07066	1.5
82.19003	1.0
85.02912	9.2
90.25365	1.0
90.91201	0.9
91.03956	1.3
91.05483	8.3
94.04189	3.3
95.04974	4.9
97.02906	2.4
103.05462	4.2
105.03345	1.2
105.07037	9.9
107.04961	7.9
109.02882	1.3
109.06522	1.3
115.05437	7.0
116.06209	1.3
117.03359	1.6
117.06997	1.5
118.04212	1.2
119.04932	6.9
119.08553	1.7
121.06491	4.5
122.03649	7.8
123.04430	1.9
123.78319	1.0
128.06238	5.2
128.20529	1.1
129.07007	4.1
131.04935	9.5
131.08601	1.3
132.05710	2.1
133.02843	4.0
133.06554	5.9
135.04373	4.8
137.05983	100.0
141.06924	1.8
143.04979	1.6
144.05692	3.9
145.02899	1.4
145.06459	2.0
147.04419	9.6
147.08038	3.0
149.05986	4.7
151.03912	2.9
151.07538	2.9
155.04892	2.5
156.05679	3.3
157.06454	2.1
159.04420	1.6
159.08060	12.4
160.05168	2.7
161.05978	21.7
161.09679	1.5
162.06786	1.2
163.03868	5.8
163.07513	3.3
164.04320	1.5
165.07013	2.8
166.07791	1.4
167.07045	4.9
168.05693	1.4
171.04456	2.4
171.08000	1.3
172.05220	12.1
173.05898	1.0
175.07564	23.0
177.05533	2.3
178.07747	3.1
179.07031	4.4
179.08495	1.6
181.04778	1.0
181.06461	1.6
184.05261	5.9
184.06657	1.2
185.05992	3.6
186.06784	2.8
187.07552	56.3
189.05447	2.3
189.07002	2.8
190.07802	4.9
191.06987	2.1
191.08565	8.9
193.10147	1.2
195.08000	1.0
199.07550	35.6
201.05496	1.4
202.06114	1.4
202.07747	7.3
203.08577	11.7
204.09326	1.7
205.06522	3.1
205.10144	1.2
206.07286	4.4
207.08064	3.4
209.09560	1.4
211.07640	1.2
213.09064	1.3
215.06929	1.1
215.08632	7.3
216.07756	8.5
217.06654	1.8
217.08513	8.8
218.07277	8.0
219.08043	17.2
220.08844	4.0
221.09601	11.4
222.06757	1.2
223.07507	1.8
230.07190	2.0
231.08040	12.7
232.08803	3.6
233.06090	1.3
233.09615	9.4
234.06665	4.9
234.10257	1.5
235.07570	6.7
235.11218	1.7
236.08276	3.6
237.09079	2.9
243.07974	2.3
245.05997	3.4
245.09525	1.1
246.06766	4.2
247.07600	8.8
248.08379	6.4
249.09163	17.4
250.09943	3.5
251.10721	11.8
253.08693	2.7
259.07489	4.8
260.08258	3.6
261.09128	12.4
262.06104	1.7
262.09943	1.7
263.07065	3.7
263.10675	5.6
264.07858	2.1
265.08585	4.3
265.12076	1.5
266.09479	1.8
267.10175	1.3
273.11389	1.7
274.06335	2.3
275.06973	1.0
275.10596	1.8
276.07846	2.4
277.08633	12.4
278.09363	9.0
279.10168	10.3
280.10974	1.8
281.11563	5.0
283.09808	1.4
285.11301	7.4
289.08511	7.2
290.09363	2.0
291.10135	11.7
292.10910	2.6
293.08395	1.6
293.11694	19.6
294.12067	1.1
296.10153	1.7
297.11166	6.3
303.10175	2.0
306.08945	1.3
307.09625	3.6
308.10526	1.5
309.11221	96.1
310.11609	2.9
311.12799	25.6
315.12326	5.0
320.10538	1.1
321.11221	55.8
322.11929	4.0
323.12881	8.6
333.11127	1.3
335.12881	6.7
339.12292	3.1
347.12659	2.5
348.35855	1.2
357.13190	2.0
365.13846	1.6
439.15582	1.2
459.17947	5.0
469.16122	3.0
471.17789	2.8
489.19077	2.9
588.26624	1.1
597.89868	1.2
642.21844	1.2
645.00946	1.2
699.25696	1.4
700.67651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.3
70.56416	0.4
70.56795	0.4
79.05481	0.2
81.07090	0.2
83.05064	0.2
93.07008	0.3
95.08604	0.3
109.10077	0.2
121.06544	0.5
165.12741	0.2
177.86134	0.2
183.77605	0.2
185.04271	0.6
203.05322	0.3
259.08051	0.6
301.20111	0.4
347.09363	1.2
375.24924	0.2
421.13376	0.3
537.30377	20.5
538.31055	0.4
699.35608	100.0
700.35986	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	699.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58565	0.6
81.07051	0.6
93.07061	0.5
141.67624	0.5
155.03314	0.4
176.10828	0.5
185.04156	0.6
203.26118	0.5
242.58537	0.5
277.08957	33.5
358.16629	3.2
358.66888	0.6
393.23260	0.5
509.69806	0.6
699.35608	100.0
700.36169	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	699.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.7
69.34319	2.7
69.34728	0.8
81.07068	0.9
95.08588	0.5
98.20721	0.7
105.07055	0.5
105.96074	0.4
109.10187	0.4
121.10198	0.4
129.71603	0.4
207.49449	0.4
259.16794	0.4
261.18854	0.4
280.21863	0.4
347.83957	0.4
461.25018	0.9
463.26883	3.2
587.36536	0.5
629.40698	0.6
681.44635	0.6
699.44501	100.0
700.44507	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	700.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01860	1.4
55.15799	0.3
56.96548	0.5
58.99594	4.3
65.03945	0.6
67.05488	0.4
69.03434	0.5
71.57285	0.4
77.03922	0.6
79.05468	0.6
79.92874	0.3
81.07033	0.3
83.04970	1.1
85.02917	0.9
86.09719	0.5
86.99073	2.9
91.04960	0.6
91.05491	8.8
93.07050	9.9
95.04964	2.5
95.08644	0.5
97.02879	0.3
103.05473	5.6
104.10773	0.6
105.00112	1.5
105.04521	0.7
105.07022	0.4
107.08569	0.3
109.10188	0.3
111.08102	0.9
112.87068	0.3
116.04974	0.5
117.05784	1.3
118.06562	2.4
119.08590	0.7
120.04472	0.3
121.06515	50.9
122.06852	1.2
131.08585	0.4
132.08028	0.4
135.08081	0.4
135.11659	0.3
137.09642	0.5
139.07556	0.4
144.04468	4.6
144.08057	0.5
145.10176	0.3
146.06024	10.0
147.08182	0.4
149.05989	39.9
150.06381	0.4
151.03885	0.6
159.11743	0.5
162.05521	3.3
163.03929	1.4
164.07071	0.7
165.05438	0.4
170.05997	0.4
172.03969	2.0
172.07626	0.7
172.08937	0.4
176.07079	8.8
178.08643	34.3
184.07346	0.5
187.11185	0.6
190.05009	3.8
202.08679	1.1
204.06575	10.9
204.10182	3.6
205.12262	8.3
210.05788	0.4
210.11296	1.3
222.07623	28.9
223.08011	0.4
223.13362	0.5
230.08282	0.5
236.09219	1.6
237.29057	0.3
241.96114	0.4
248.09213	2.3
254.10258	0.9
280.06454	1.2
282.08054	2.0
308.05927	2.5
324.05438	2.1
326.06934	23.4
327.07391	0.5
340.08453	0.8
342.13599	0.4
374.16110	4.7
400.17670	1.2
445.13043	0.4
446.12619	0.9
476.13489	1.8
478.15350	100.0
479.15466	2.2
668.62628	0.4
682.27081	1.6
700.28339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59077	0.3
51.33133	0.3
51.33411	0.2
53.03952	0.4
55.01874	0.5
57.03434	0.8
61.02925	0.9
65.03944	0.8
65.24883	0.2
69.03434	2.3
70.06608	0.7
71.05000	0.8
71.58398	0.3
73.02917	0.4
79.05511	0.7
81.03415	1.8
81.07054	0.3
84.08170	0.3
85.02911	8.5
91.03931	0.6
91.05492	1.4
93.03407	0.8
93.07027	0.3
94.04177	1.4
95.04947	0.5
97.02896	3.0
97.22965	0.3
98.97634	0.4
99.04444	0.6
103.05466	1.3
107.04975	0.3
109.02880	0.9
109.06525	1.3
111.04453	0.8
115.03894	0.3
115.05446	4.8
117.07028	1.6
119.04982	0.8
121.06503	0.3
121.10207	0.3
122.03679	2.6
125.06030	1.0
127.03963	1.9
128.06227	0.7
129.07001	4.2
131.04924	2.8
133.02933	0.3
135.04492	0.3
137.05988	69.3
138.06348	0.8
139.05597	0.3
143.04944	9.9
144.05687	1.1
145.02867	0.6
145.04956	3.0
145.06470	1.4
146.03644	0.5
147.04439	0.7
147.07976	0.4
149.05989	0.7
151.03912	1.2
151.07565	0.8
153.05482	2.0
157.06516	4.1
160.05212	13.8
161.05986	2.6
162.07620	0.4
163.03886	1.2
163.06174	0.5
163.07523	2.0
165.05511	0.9
167.07050	0.8
172.05219	2.1
173.06015	0.7
174.06775	1.7
175.07559	100.0
176.07898	1.1
177.05498	1.2
177.09061	0.4
179.07104	0.5
180.08662	1.5
187.07558	33.1
188.08231	0.4
189.09126	6.8
191.07013	0.6
191.08594	0.4
193.08600	0.4
196.05154	0.4
199.07553	0.8
203.08585	1.8
205.08614	24.0
209.04538	0.3
211.07585	1.3
217.08604	2.9
219.08066	1.2
220.08702	0.5
220.88876	0.3
221.09494	0.3
231.08089	1.8
234.07468	0.3
235.09665	37.3
239.07085	0.9
240.07640	0.4
247.07483	1.2
248.08328	1.4
251.10707	0.9
252.08800	0.4
253.08798	0.4
255.06548	0.9
256.07306	0.4
259.07458	1.5
263.07910	0.3
263.10696	2.2
265.08691	0.4
268.07214	0.4
270.08945	2.0
271.09726	4.0
276.07791	1.1
277.08609	0.7
279.10162	1.5
283.09595	0.7
290.09384	0.4
291.07074	0.5
291.10165	5.5
292.10892	0.3
293.08054	0.6
294.09436	0.3
296.10355	0.4
297.11255	0.6
308.10464	0.8
309.11133	0.5
311.12793	2.6
312.13397	0.3
323.12802	7.2
332.58557	0.3
341.13858	12.7
382.11099	0.5
419.70529	0.3
426.53189	0.3
700.24646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03851	0.2
53.11576	0.2
54.56075	0.2
55.05502	1.1
56.05036	1.7
57.03446	0.5
57.07091	0.3
58.06585	1.8
59.07373	0.4
60.08168	18.6
65.10656	0.2
67.05500	1.6
69.03451	0.4
69.07064	0.8
69.56855	0.6
69.57275	1.3
70.06606	0.3
71.04996	0.3
71.07378	7.5
75.23106	0.2
79.05499	0.9
81.03442	0.3
81.07060	1.9
83.08621	0.6
85.02917	0.6
86.09710	50.4
91.05477	0.5
93.07055	1.0
95.08611	1.3
97.06503	0.3
97.10186	0.3
98.98472	4.6
104.10749	100.0
105.07005	0.4
105.11069	0.6
107.08612	0.3
109.10170	0.5
113.82309	0.2
121.06516	0.6
123.11720	0.3
125.00010	30.1
125.79049	0.2
133.10127	0.3
136.99928	0.3
143.01007	0.3
163.01605	0.4
163.03955	0.4
178.82605	0.3
184.07349	88.2
185.07774	0.3
258.11111	0.6
337.27515	0.7
520.34033	4.6
538.35071	49.2
539.35138	1.4
580.36383	0.3
615.71124	0.2
682.39276	3.8
700.40393	19.6
701.40332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.6
56.83125	0.9
57.03431	2.9
57.07078	37.0
61.02929	14.6
67.05508	11.2
69.03413	1.6
69.07072	7.2
71.04982	0.9
71.08634	32.5
71.59190	1.0
73.02915	4.6
75.04467	3.3
79.05512	0.8
81.03409	1.0
81.07054	18.2
83.08620	10.4
85.02431	1.5
85.02909	20.6
85.06587	1.1
85.10188	19.4
86.09705	2.1
89.06039	1.9
91.03494	1.2
91.03963	14.3
93.07062	1.9
95.08609	25.9
97.02896	8.9
97.10172	10.1
99.11694	1.5
104.07725	1.1
109.10154	13.0
111.11722	5.1
121.06565	1.0
123.11719	6.9
125.00057	1.2
127.03936	6.6
137.13219	3.4
145.04993	8.6
163.06030	14.2
184.07362	6.1
249.25648	1.1
267.26837	19.6
267.29703	1.2
274.83862	0.9
283.26285	1.1
285.27823	2.9
341.30524	100.0
342.30920	1.7
359.31564	43.1
700.44543	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	701.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
56.12311	0.6
56.27721	0.6
56.51893	0.6
59.98611	0.7
67.05496	0.7
69.69531	3.2
69.69944	1.7
70.06596	2.1
71.04994	2.3
84.08140	1.4
85.02940	3.8
86.09708	0.8
91.05500	1.9
93.07053	1.7
95.04951	0.7
98.46645	0.7
99.76134	0.8
103.05499	1.7
119.04963	1.9
121.06522	7.9
122.06816	0.8
135.04289	0.7
137.05989	1.3
147.04410	7.5
163.03941	2.8
164.07059	1.1
165.05516	2.0
176.07065	0.7
178.08698	1.5
340.22318	1.0
352.78723	0.8
370.12918	0.9
469.14774	8.8
487.14291	0.9
511.15692	13.0
555.14789	33.5
615.20367	4.9
657.21558	48.9
658.22394	1.2
697.93604	0.7
701.20496	100.0
701.47528	4.6
702.21021	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	701.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01878	1.3
55.05503	0.5
57.03443	0.7
65.03947	0.7
67.05509	1.9
69.03432	8.4
69.07073	0.4
70.06593	1.3
71.05003	2.4
72.08159	0.3
73.02921	1.1
79.05499	7.6
79.05965	0.4
81.03423	4.9
81.03861	0.5
81.07074	1.2
83.01344	1.2
83.04986	0.9
84.08168	0.3
85.02923	1.7
86.09711	0.3
87.04470	0.3
89.64818	0.2
91.05483	5.6
93.07053	6.6
95.04988	1.0
95.08616	0.6
97.02901	14.9
97.06525	1.5
99.04447	3.0
103.05510	0.4
103.79264	0.2
105.07037	3.5
107.04953	3.3
107.08602	29.2
109.02885	19.0
109.06513	1.6
109.10192	1.6
111.04474	0.6
111.08088	3.8
115.03944	1.6
115.04601	0.2
115.05440	1.5
116.07112	0.3
117.07041	2.2
119.04923	0.4
119.06084	0.9
119.08576	0.3
120.08134	0.3
121.06515	4.5
121.10158	0.4
122.03687	0.3
123.08064	0.3
124.07620	0.3
125.06020	1.4
125.09652	0.4
127.03925	10.1
129.06996	0.5
130.07816	0.3
131.04938	0.4
133.06476	0.5
135.08061	100.0
136.08408	1.0
137.05992	8.7
137.09624	0.8
138.09109	0.3
139.07535	1.9
142.08675	0.3
143.04936	0.4
145.04970	34.3
146.05389	0.3
147.04391	0.4
149.06017	0.5
151.03955	0.6
151.07582	0.7
153.09113	10.8
157.06502	0.5
159.07982	0.4
160.05199	0.7
161.06064	0.3
163.03940	0.4
163.07552	6.9
165.05478	0.9
167.07019	0.4
173.05962	0.3
173.77574	0.2
173.84924	0.2
175.07544	2.9
177.05496	1.6
177.09061	0.5
180.06555	1.0
181.08607	17.5
187.07584	3.3
189.09142	1.1
191.08417	0.3
199.09669	9.9
201.09114	0.9
203.08513	0.5
205.08624	0.5
211.07587	0.3
217.08563	0.7
219.08084	0.7
219.10150	0.4
222.07697	0.3
229.05827	0.3
231.08102	0.5
247.07590	0.3
248.08334	0.3
253.10722	0.5
260.08118	0.3
263.10620	0.7
265.08533	0.3
271.09198	1.4
271.12234	1.2
276.07819	0.4
277.08392	0.3
279.10110	0.8
283.09454	0.3
287.05429	0.7
289.10654	0.8
291.10181	1.7
293.08014	0.4
296.10461	0.4
307.11826	5.9
310.12366	0.3
311.12799	1.3
323.12836	3.1
325.12970	2.9
341.13889	3.1
343.13760	0.9
361.17554	0.3
362.17850	0.5
396.88675	0.3
504.23166	0.7
505.24124	1.3
521.22296	1.5
627.26672	0.5
701.27771	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	701.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01878	1.3
55.05503	0.5
57.03443	0.7
65.03947	0.7
67.05509	1.9
69.03432	8.4
69.07073	0.4
70.06593	1.3
71.05003	2.4
72.08159	0.3
73.02921	1.1
79.05499	7.6
79.05965	0.4
81.03423	4.9
81.03861	0.5
81.07074	1.2
83.01344	1.2
83.04986	0.9
84.08168	0.3
85.02923	1.7
86.09711	0.3
87.04470	0.3
89.64818	0.2
91.05483	5.6
93.07053	6.6
95.04988	1.0
95.08616	0.6
97.02901	14.9
97.06525	1.5
99.04447	3.0
103.05510	0.4
103.79264	0.2
105.07037	3.5
107.04953	3.3
107.08602	29.2
109.02885	19.0
109.06513	1.6
109.10192	1.6
111.04474	0.6
111.08088	3.8
115.03944	1.6
115.04601	0.2
115.05440	1.5
116.07112	0.3
117.07041	2.2
119.04923	0.4
119.06084	0.9
119.08576	0.3
120.08134	0.3
121.06515	4.5
121.10158	0.4
122.03687	0.3
123.08064	0.3
124.07620	0.3
125.06020	1.4
125.09652	0.4
127.03925	10.1
129.06996	0.5
130.07816	0.3
131.04938	0.4
133.06476	0.5
135.08061	100.0
136.08408	1.0
137.05992	8.7
137.09624	0.8
138.09109	0.3
139.07535	1.9
142.08675	0.3
143.04936	0.4
145.04970	34.3
146.05389	0.3
147.04391	0.4
149.06017	0.5
151.03955	0.6
151.07582	0.7
153.09113	10.8
157.06502	0.5
159.07982	0.4
160.05199	0.7
161.06064	0.3
163.03940	0.4
163.07552	6.9
165.05478	0.9
167.07019	0.4
173.05962	0.3
173.77574	0.2
173.84924	0.2
175.07544	2.9
177.05496	1.6
177.09061	0.5
180.06555	1.0
181.08607	17.5
187.07584	3.3
189.09142	1.1
191.08417	0.3
199.09669	9.9
201.09114	0.9
203.08513	0.5
205.08624	0.5
211.07587	0.3
217.08563	0.7
219.08084	0.7
219.10150	0.4
222.07697	0.3
229.05827	0.3
231.08102	0.5
247.07590	0.3
248.08334	0.3
253.10722	0.5
260.08118	0.3
263.10620	0.7
265.08533	0.3
271.09198	1.4
271.12234	1.2
276.07819	0.4
277.08392	0.3
279.10110	0.8
283.09454	0.3
287.05429	0.7
289.10654	0.8
291.10181	1.7
293.08014	0.4
296.10461	0.4
307.11826	5.9
310.12366	0.3
311.12799	1.3
323.12836	3.1
325.12970	2.9
341.13889	3.1
343.13760	0.9
361.17554	0.3
362.17850	0.5
396.88675	0.3
504.23166	0.7
505.24124	1.3
521.22296	1.5
627.26672	0.5
701.27771	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	701.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14634	0.2
69.41282	1.5
84.16918	0.2
96.19149	0.2
133.08789	0.2
142.43367	0.2
185.04272	0.7
203.05417	0.3
257.02478	0.2
259.07986	0.5
321.22763	0.3
347.09512	1.2
377.26511	0.5
421.13174	0.3
539.31946	20.3
540.32227	0.4
688.25580	0.3
701.37207	100.0
702.37537	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	701.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17505	0.2
54.53090	0.2
55.05514	0.3
57.07055	0.2
67.05503	0.9
69.03415	0.2
69.07100	0.3
69.18788	2.1
79.05512	0.5
81.03431	0.2
81.07055	0.6
85.02921	0.3
86.09717	0.2
91.05494	0.6
93.07056	0.5
95.04958	0.2
95.08624	0.6
98.21436	0.5
100.17600	0.2
105.07040	0.4
107.08598	0.4
109.10175	0.2
119.08595	0.3
121.06606	0.2
123.11703	0.2
129.07042	0.3
131.08537	0.2
132.16107	0.2
133.03419	0.2
145.10138	0.3
152.23250	0.2
165.65527	0.2
184.07312	0.4
185.04277	0.5
203.05273	1.5
232.32635	0.3
259.07944	1.4
281.06946	0.2
305.07849	0.3
321.22678	0.4
333.17377	0.3
347.09479	1.3
365.10617	3.1
421.13226	1.3
422.48514	0.2
539.31903	18.5
540.32275	0.5
547.90509	0.2
701.37189	100.0
702.37463	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	701.4601
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
50.22213	0.4
53.04246	0.3
57.08627	0.4
62.31035	0.4
69.07076	0.5
70.58852	0.5
81.07056	0.7
83.08609	0.5
88.64028	0.4
95.08660	0.4
99.71245	0.3
102.81302	0.3
109.10149	0.7
189.77965	0.4
193.67934	0.4
258.05319	0.9
261.18356	0.6
286.04813	2.1
286.68546	0.5
301.07083	7.2
364.89917	0.5
376.60962	0.4
419.47482	0.4
457.05093	0.5
463.26801	4.7
490.85794	0.5
701.45990	100.0
702.46368	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	702.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22131	0.2
57.03436	1.3
59.60015	0.2
69.03447	1.3
71.04997	9.1
71.11755	0.5
73.02908	0.4
75.04486	0.3
79.05481	0.4
81.03407	0.7
83.04969	0.5
85.02911	9.4
85.03425	0.6
89.03907	2.0
91.05465	0.9
93.07007	0.4
95.04952	0.6
97.02896	3.8
99.04464	0.4
107.04934	1.1
109.02940	0.3
109.06516	0.4
110.19738	0.3
111.04450	0.7
117.03384	3.0
117.41586	0.2
119.04942	0.2
121.06503	2.3
123.04457	1.8
125.42352	0.3
129.05489	3.2
133.02859	0.8
133.06462	0.3
135.03387	0.5
135.04420	7.6
137.05980	1.0
145.02859	7.5
146.06001	1.0
147.04395	0.3
147.06499	1.3
151.03883	1.9
153.05475	4.3
154.05956	0.4
161.05922	0.5
163.03912	100.0
164.04259	1.3
165.05511	0.9
167.07024	0.9
175.03879	0.5
177.05492	0.4
178.08643	1.5
181.04893	1.8
183.06564	2.1
184.06882	0.4
188.07098	0.3
189.05449	0.6
193.05144	0.4
206.08128	0.4
207.06529	2.5
219.06496	0.5
220.09734	0.9
222.11261	3.2
237.07597	0.4
248.09218	0.6
249.07501	0.6
263.82718	0.3
266.10275	2.5
273.07666	0.8
275.09164	0.6
291.08533	1.2
293.10208	1.4
295.13950	0.3
307.08139	0.7
309.09698	1.3
311.11255	1.1
325.09204	20.6
326.09418	0.5
351.60901	0.2
352.12131	0.3
387.11136	0.3
471.14264	0.5
489.13925	1.5
501.69901	0.3
535.59839	0.3
537.52307	0.3
623.40039	0.3
669.29260	0.4
702.27582	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	702.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01865	1.5
55.05511	3.6
57.03436	3.1
57.07082	3.4
61.02928	4.8
64.61809	0.6
65.03936	1.0
65.67364	0.6
67.05506	8.5
69.01993	0.6
69.03429	10.9
69.07072	8.1
71.04999	3.6
71.58868	0.9
72.08143	1.2
73.02904	2.2
75.58198	0.5
79.05489	3.8
81.03420	4.8
81.07059	24.6
83.04959	0.9
83.08620	3.7
85.02908	76.2
85.06075	0.7
85.06548	8.5
86.09696	2.8
87.04454	1.6
91.03960	3.6
91.05476	4.2
93.07053	12.5
95.08611	41.3
97.02895	22.9
97.06482	1.2
97.10144	2.8
98.97585	0.7
99.04465	3.2
105.07034	9.3
107.08596	15.4
109.02890	6.7
109.10160	27.0
113.09629	2.4
115.03903	1.2
116.07037	0.6
117.07027	1.5
118.23595	0.6
119.08573	12.0
121.06514	2.1
121.10149	17.5
123.07973	1.0
123.11710	15.4
125.09599	1.0
127.03927	23.1
131.08574	3.5
133.10143	14.6
135.11700	14.3
137.05986	1.4
137.09618	1.9
137.13261	17.2
143.08511	1.3
144.06583	0.9
145.04964	46.0
145.10109	8.2
147.11697	11.3
147.25787	0.8
149.13249	11.2
151.11200	1.3
151.14807	5.5
157.10127	1.4
159.11700	7.2
161.13254	10.3
163.06020	24.9
163.11209	1.5
163.14833	6.6
165.12759	2.2
165.16389	2.0
167.03462	0.8
171.11668	1.3
173.13266	7.8
175.14798	5.3
177.05460	1.4
177.12770	1.1
177.16405	3.9
179.14354	3.4
180.06557	4.4
180.08493	0.8
183.60782	0.6
185.13182	1.2
187.14822	7.7
189.16386	7.7
191.14302	10.2
191.17967	10.2
193.15962	1.5
199.14796	1.7
201.16376	7.6
203.17961	4.4
205.15894	2.5
205.19505	3.7
207.17360	1.4
213.16347	1.0
215.17961	5.0
217.19469	2.4
219.17462	1.0
220.06067	0.8
222.07532	0.9
227.17979	1.3
229.19543	2.4
231.17517	0.8
231.21150	0.9
233.19006	1.4
241.19566	2.4
243.21068	1.8
247.20616	0.7
253.07251	0.6
255.21144	2.1
269.22638	3.1
271.08014	1.6
283.24146	1.0
289.09213	2.5
299.27353	2.2
305.14908	3.0
325.11313	14.5
325.28891	53.0
326.29166	1.2
328.41544	0.6
343.29956	100.0
344.30264	1.7
347.15921	1.6
361.30960	9.6
384.32541	0.8
506.25070	11.3
523.20935	0.8
564.12671	0.7
628.27740	1.2
664.87555	0.7
702.31934	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	702.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.2
56.05031	0.7
58.06592	0.4
59.62456	0.2
60.08163	6.5
62.80909	0.2
67.05492	0.4
69.07056	0.2
69.81718	0.8
71.07375	3.7
71.08638	0.2
72.78516	0.2
79.05485	0.3
81.07050	0.4
86.09706	32.1
87.04495	0.3
89.06033	0.4
91.05448	0.3
91.65289	0.2
93.07027	0.3
95.08617	0.3
98.21449	0.3
98.98464	3.4
104.10731	2.6
105.07056	0.2
107.08574	0.4
120.05870	0.2
125.00005	21.2
133.08618	0.4
133.10123	0.2
143.00995	0.2
166.02788	0.2
184.07339	100.0
184.45863	0.2
185.07707	0.5
236.31345	0.2
311.25562	0.3
496.34225	0.3
505.38705	0.6
595.65765	0.2
702.47052	9.2
703.47430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98434	0.2
53.03937	0.2
55.05521	0.7
56.05039	0.7
57.03434	0.6
57.07067	0.7
58.06627	0.6
60.08165	6.2
67.05504	1.6
69.07059	1.1
71.07373	3.7
71.08633	0.4
71.32922	0.3
76.03694	0.1
79.05493	1.2
81.07058	2.2
83.08627	1.1
86.09708	31.9
89.05981	0.3
91.05470	0.6
93.07040	2.0
95.04944	0.2
95.08596	1.5
97.06544	0.3
97.10159	0.3
98.98466	3.1
99.08092	0.2
104.10750	3.0
105.07034	0.2
107.08603	0.9
109.10169	0.4
111.08056	0.3
117.07001	0.3
121.10157	0.9
125.00007	21.1
125.09600	0.2
133.08621	0.3
133.10217	0.2
135.11711	0.6
149.13229	1.0
159.11746	0.5
166.02591	0.2
184.07344	100.0
185.07625	0.4
195.13774	0.3
269.17477	4.0
269.20157	0.3
311.25879	2.4
467.82141	0.2
505.38962	4.6
702.47015	10.9
703.46979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38127	0.3
53.03940	0.6
55.05505	0.4
65.03934	0.4
70.06564	0.6
71.04985	0.4
71.40269	0.7
71.40618	0.4
76.29048	0.3
84.08124	0.6
85.02916	0.8
86.86594	0.3
90.74181	0.4
91.04967	0.7
91.05489	6.7
93.04477	0.3
93.07058	3.4
95.01340	0.5
95.04976	1.0
103.05464	3.2
105.04556	0.4
112.11253	0.4
115.05451	3.3
117.05746	1.4
117.07035	3.9
118.06549	52.8
119.06871	0.5
121.06509	19.7
124.00775	0.3
128.04959	0.5
132.08057	1.1
135.04463	0.5
137.05968	0.6
142.06535	4.0
143.07310	4.7
144.04457	1.3
144.08092	24.5
145.05290	0.5
145.06487	0.6
146.06015	100.0
147.04420	0.4
147.06354	1.2
155.06073	0.8
158.37219	0.3
160.07596	1.3
162.05565	0.5
163.03925	2.1
164.07019	0.5
165.05507	1.3
170.06017	8.3
178.04942	0.4
188.07072	90.6
189.07376	0.8
190.05020	0.7
204.06581	3.2
206.04541	2.5
230.04297	0.6
233.97664	0.4
237.02782	0.4
260.05536	0.8
262.07123	0.5
264.08719	0.9
292.08182	0.7
352.10327	5.5
352.14563	0.4
360.07303	0.4
378.08270	3.4
396.09277	7.3
436.08994	0.6
454.10001	0.6
516.15063	33.5
517.15271	1.1
574.15405	2.5
583.15771	0.9
703.21301	30.5
704.21692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03944	2.2
55.01877	1.0
57.03447	0.8
65.03932	0.7
67.05504	1.3
69.03439	3.1
70.06614	1.1
71.04985	0.9
72.08163	1.8
77.03919	2.7
78.04729	0.6
79.05510	1.3
81.03429	7.4
81.07056	2.8
84.08162	0.7
85.02934	2.7
89.03926	4.4
91.05492	14.8
93.07079	2.5
94.04202	0.9
95.04976	4.1
97.02899	2.3
98.09694	0.6
99.04456	1.3
103.05457	3.2
105.03414	3.6
106.04172	0.6
107.04964	1.6
107.08581	2.4
109.02862	2.5
109.10178	2.1
117.03370	5.3
119.04954	18.8
121.06519	6.2
122.03654	2.1
123.04446	1.8
127.03920	3.1
131.04958	1.4
133.02864	100.0
134.03702	0.9
135.04424	6.5
135.08076	5.9
137.05986	21.1
138.06415	0.6
145.02856	4.6
145.04996	0.8
145.06499	0.7
147.04428	12.7
149.05997	31.2
150.06783	14.7
151.03937	4.3
153.09138	1.5
157.03992	2.3
158.03670	0.7
161.05986	6.6
162.03090	0.8
163.03935	8.2
163.07513	0.9
165.05499	18.1
165.06870	0.7
166.08762	0.5
167.07079	1.0
173.05988	1.9
175.03922	43.5
176.06136	1.1
177.05490	8.2
177.07053	2.1
179.06920	0.6
180.06497	1.6
181.04970	1.2
181.08626	1.8
189.07013	0.8
191.08591	0.9
193.05006	1.9
194.07277	0.7
199.09653	14.2
201.05484	15.1
205.06517	5.4
219.08301	1.2
221.05980	2.1
222.06650	2.6
229.60204	0.6
232.05171	0.6
233.05981	11.4
233.08310	0.6
235.07651	0.6
237.09120	1.4
247.07616	3.0
249.05481	5.2
250.06232	4.1
260.04846	0.6
261.05469	5.6
262.06372	0.5
263.06982	0.7
264.07800	2.8
265.08597	7.0
275.07059	2.0
277.04993	2.7
278.05774	0.9
292.07297	7.1
293.08044	9.5
297.11243	0.7
307.09540	4.2
311.12875	1.1
325.10727	70.3
326.10977	1.4
343.11884	0.7
390.16211	0.6
437.11505	0.5
469.14990	7.6
487.16129	9.1
507.20871	3.3
523.20544	0.8
629.24719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58755	0.2
56.64864	0.2
62.45231	0.2
69.07040	0.3
93.07045	0.2
111.05548	0.2
131.72534	0.2
131.79417	0.2
185.04185	1.0
194.62025	0.2
203.05302	1.5
224.13136	0.4
229.39975	0.2
237.13919	1.0
259.07986	1.4
265.13330	0.4
275.25061	0.2
325.15411	0.3
341.11548	0.4
347.09515	0.9
365.10629	3.9
371.62686	0.2
421.13043	1.2
433.42053	0.2
523.23505	0.3
541.33508	20.0
542.34045	0.8
551.21863	0.2
565.24030	0.4
593.23975	0.6
653.25940	4.8
654.26068	0.3
685.28522	0.7
703.38770	100.0
704.39044	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	703.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01319	0.2
55.62772	0.3
64.50653	0.2
71.58241	0.4
74.64863	0.2
85.55167	0.3
98.58342	0.3
101.83930	0.3
105.06979	0.3
140.23686	0.2
185.04312	0.7
203.05203	0.3
259.07932	0.5
266.38666	0.3
321.43512	0.3
338.03412	0.3
347.09485	1.1
421.13342	0.5
435.45340	0.3
448.32123	0.3
541.33496	22.0
542.34094	0.3
703.38745	100.0
704.39154	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	704.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03947	1.4
55.01883	0.6
61.02913	0.4
67.05524	0.7
69.03430	1.4
69.43353	2.2
73.02968	0.3
75.04499	0.5
77.03917	0.5
79.05508	0.7
81.03385	0.8
85.02910	4.7
87.04448	0.4
88.81389	0.3
91.05482	4.7
93.07052	5.4
95.04973	25.6
97.02915	1.6
103.03979	0.5
103.05460	3.5
105.03409	0.4
105.04510	0.5
109.02868	0.6
109.06528	0.7
119.04951	3.0
121.06510	100.0
122.06798	0.8
123.00810	2.2
123.03562	0.6
123.04433	9.8
127.03898	1.0
128.33821	0.3
131.85716	0.4
133.02835	0.9
137.05963	0.6
145.04988	1.1
147.04431	2.1
151.03912	36.2
155.03371	0.5
163.03871	0.6
165.05481	46.3
166.05788	0.7
169.00407	0.3
173.09517	0.3
175.03882	2.0
179.08656	0.5
183.06493	1.3
193.04976	9.0
197.09650	0.4
207.06519	2.6
213.57422	0.3
219.06520	0.5
225.07570	32.3
253.08630	0.4
271.09662	4.2
275.47977	0.3
313.10580	0.6
331.11777	4.5
345.13324	3.2
363.14453	2.7
387.12521	0.6
415.30249	0.4
704.25958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73545	0.7
57.92393	0.6
62.84698	0.7
63.22073	0.6
69.30382	5.8
74.62775	0.7
85.02911	1.4
98.97586	0.9
103.45675	0.6
132.06030	0.7
163.03969	1.3
165.89481	0.7
173.01241	0.9
245.05130	0.8
411.43890	0.7
423.08057	0.9
468.51578	0.7
474.07172	0.8
483.90326	0.7
543.13245	21.5
543.21503	1.1
606.86609	0.8
705.18555	100.0
706.18921	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83668	0.5
65.74550	0.4
67.27881	0.5
69.02538	0.6
71.47645	0.7
79.66090	0.6
102.18710	0.5
112.89633	1.6
114.89332	1.3
124.24145	0.5
144.39635	0.5
183.97870	0.6
192.76508	0.5
212.85295	2.5
214.85059	0.7
374.42337	0.6
403.85535	0.6
454.03748	0.5
492.09802	0.6
525.12067	0.7
543.13306	22.4
705.18555	100.0
706.18884	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03937	0.9
55.01852	0.8
55.05494	0.5
55.27158	0.4
55.45725	0.4
56.60051	0.4
60.50758	0.5
65.03950	2.3
69.03412	2.1
69.52487	0.5
70.06582	0.9
72.08147	0.5
77.03912	0.8
78.04697	0.6
79.05480	1.9
81.03418	3.8
81.07059	1.0
81.52795	0.4
85.02895	1.7
89.03925	3.3
91.05488	26.4
93.07048	0.5
94.04178	1.6
95.04955	1.1
97.02911	2.9
99.04474	0.6
103.05463	4.6
105.03385	0.8
105.07018	3.0
107.04952	2.7
109.02856	1.4
109.06496	1.4
110.97555	0.6
113.05969	0.4
115.05460	2.7
116.06273	0.6
117.03389	6.5
117.07027	1.3
119.04949	33.1
119.08598	4.4
121.06502	1.4
122.03661	2.7
123.04430	0.8
125.02330	0.8
127.03898	0.8
128.06230	2.1
129.03400	0.6
129.06996	1.5
131.04944	7.2
132.02075	1.8
132.05737	3.1
133.02805	0.5
133.06480	2.0
135.04439	1.1
136.05244	0.7
137.05981	37.3
141.06973	0.9
145.02850	13.9
146.03592	1.0
147.04417	29.0
147.08057	3.7
149.02332	1.2
149.06021	2.8
151.03889	1.1
151.07571	0.8
157.03998	3.6
157.06445	0.5
159.08047	0.6
160.05165	2.8
161.05972	6.7
162.06758	0.5
163.03920	1.6
163.07547	12.0
164.04652	1.4
165.05463	1.0
167.03389	0.7
167.07062	8.0
169.06468	1.2
173.05951	0.8
175.03926	48.4
175.07550	43.4
175.08777	0.6
176.04396	0.6
176.07985	0.7
177.05476	23.8
179.07016	3.0
181.04945	1.2
184.05174	1.3
187.04871	0.4
187.07515	2.3
191.06979	1.3
191.08580	1.1
192.04219	1.2
193.08614	4.0
199.07567	5.6
201.09187	0.9
202.07840	1.4
203.08589	2.9
204.10124	0.6
205.06494	0.9
207.06534	100.0
208.06918	1.2
213.05396	0.6
215.06906	0.6
215.08832	0.6
218.07379	0.7
219.08092	2.0
220.08911	0.5
225.07559	1.1
231.08049	5.2
232.08803	1.3
233.09584	0.8
235.07494	0.6
243.07953	0.6
247.07449	1.3
248.08234	2.3
249.08960	0.7
251.10770	0.9
259.07660	2.7
260.08328	2.7
261.09045	1.5
263.10651	2.2
264.07996	0.7
275.07108	0.6
276.07788	2.1
277.08771	1.4
279.10065	0.6
289.08643	1.5
290.09473	0.8
291.10162	9.2
292.10962	1.1
293.08212	0.7
293.11948	0.5
301.06918	1.1
307.09619	0.9
308.10547	0.6
311.12802	1.6
315.10434	0.6
319.09744	0.6
321.10733	1.5
323.12811	8.3
325.14386	4.2
337.11557	3.3
339.10632	0.6
341.13992	0.7
351.10757	6.0
353.13882	1.9
355.15442	1.3
369.11807	3.0
375.12064	0.9
379.12665	0.7
411.14261	0.6
433.55481	0.6
467.12238	0.5
469.16687	1.1
473.15842	1.0
489.18811	0.6
497.15906	1.0
517.18597	1.2
529.18646	2.0
547.19867	0.9
555.19208	0.6
556.20105	0.5
661.24603	0.6
691.23895	0.5
709.27039	2.5
709.38605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.8
55.05526	0.6
56.09816	0.6
57.53464	0.4
61.02934	0.5
65.03944	7.9
67.05507	2.6
69.03433	3.1
70.06605	1.0
71.05012	0.7
71.25764	1.0
79.05506	0.8
81.03424	2.2
81.07065	1.5
83.04995	1.4
85.02911	3.7
91.05490	19.5
93.03419	6.9
93.07033	0.9
95.04974	2.2
95.08609	1.6
96.40602	0.5
97.02899	100.0
98.03201	0.6
103.05474	1.0
105.07049	1.6
107.04957	0.8
107.08601	2.6
109.02888	0.7
109.06503	2.5
109.10167	0.7
111.04494	0.7
115.05478	1.4
119.04955	27.3
119.08582	1.1
121.02883	3.0
121.06581	0.8
121.10143	2.1
123.04420	1.8
123.08059	1.5
123.11710	0.7
124.05305	0.6
124.08803	0.5
125.02362	2.2
127.03911	1.4
128.06233	0.6
129.07008	0.9
131.04942	1.4
131.08566	1.8
132.02084	1.2
133.10158	0.8
135.04391	0.5
137.05975	5.6
137.09601	1.5
137.13345	0.5
139.03917	0.7
140.04688	2.9
141.06969	3.4
144.05740	2.9
145.02827	2.4
145.04938	1.0
145.06506	0.6
147.04420	23.9
147.11772	0.5
149.02356	12.0
149.09624	2.7
149.13284	1.7
151.11185	8.2
152.42351	0.5
153.05473	0.9
154.06274	2.3
155.04936	0.9
155.07051	3.5
156.05722	0.6
156.84625	0.5
157.03979	2.9
157.06503	1.3
159.08083	3.0
162.84952	0.6
163.07553	1.3
164.04579	0.5
165.12769	18.9
167.03412	53.3
167.07104	1.3
169.06534	2.5
175.03926	48.6
175.07437	4.6
176.04442	1.0
177.05487	3.7
179.07050	2.5
181.04971	4.3
187.07553	8.0
189.05377	0.6
191.14388	1.4
193.15860	1.2
197.05988	3.1
199.07626	0.7
201.05412	0.7
204.07762	0.6
207.06541	98.9
208.06886	1.3
209.15381	46.2
211.07623	0.7
213.05357	0.8
214.06363	0.8
215.06995	4.1
217.08493	1.1
218.09416	2.2
219.06561	3.4
219.10141	5.1
225.05486	0.7
229.08585	6.4
231.10310	0.5
243.06609	1.3
244.07222	0.5
247.09663	5.8
257.08078	5.4
275.09155	22.7
285.07635	0.5
291.10336	0.7
303.08646	6.1
321.09705	29.8
323.12814	0.6
339.10742	6.3
369.11707	0.7
500.30939	0.8
691.36688	0.7
709.37842	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	709.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17662	0.4
53.03950	0.4
55.01874	1.1
55.05508	0.9
57.03435	0.6
59.63823	0.6
62.90509	0.5
65.03945	6.6
67.05510	3.6
67.65437	0.4
69.03435	3.1
69.07074	1.6
70.06600	0.8
71.04974	1.0
79.05497	1.4
81.03416	2.0
81.07058	2.6
83.04989	2.7
84.08170	0.7
85.02909	2.0
86.09711	0.6
87.60223	0.5
89.03919	1.9
91.05492	18.4
93.03413	6.1
93.07076	1.4
95.04961	1.7
95.08607	4.0
96.03505	0.5
97.02898	100.0
97.06544	0.8
98.03207	0.6
98.21508	1.2
99.08125	1.6
103.05497	1.3
105.07034	2.1
107.04965	1.3
107.08613	5.3
109.06529	1.9
109.10150	3.0
111.04440	1.1
115.05466	1.2
117.03381	2.6
119.04951	28.1
119.08574	0.8
121.02880	2.7
121.06524	1.6
121.10160	5.4
122.03637	1.1
123.04430	1.3
123.08068	1.3
123.11686	0.9
125.02337	0.9
125.09618	2.5
128.06186	0.6
129.03459	0.5
129.06993	1.3
131.04927	1.2
131.08548	2.5
132.02113	0.8
133.10152	2.5
135.04456	0.7
135.08047	2.2
135.11705	0.9
137.05981	17.0
137.09631	1.6
139.03987	1.3
139.11255	0.8
140.04700	2.5
141.07007	3.0
144.05727	2.7
145.02855	9.0
145.04916	1.1
145.06485	1.2
147.04424	23.8
147.11671	2.3
149.02370	10.7
149.05988	1.2
149.09595	1.9
149.13268	3.5
151.03925	1.8
151.07547	2.2
151.11192	13.8
153.05476	0.7
154.06261	1.9
155.07053	3.3
157.03935	2.6
157.06456	0.6
158.07291	0.9
158.10889	0.8
159.08102	2.4
161.05960	1.0
163.03923	1.5
163.07544	0.9
163.14821	2.2
165.05492	1.7
165.12746	5.7
167.03413	48.1
167.07074	1.8
168.03821	0.7
169.06467	2.8
169.07742	0.6
171.08049	0.6
173.05946	0.6
173.13245	1.9
175.03917	41.7
175.07497	1.5
177.05484	14.3
179.07019	2.1
181.04990	4.1
187.07552	7.6
189.09143	0.6
190.21960	0.5
191.06979	0.8
191.14314	12.1
192.04094	0.6
193.08704	0.7
197.05971	2.3
199.07613	0.9
201.05389	0.9
201.09155	0.9
205.08646	0.8
207.06540	94.3
208.06883	0.9
209.15379	26.5
214.06261	1.0
215.07024	3.1
217.08560	1.4
218.09358	2.0
219.06586	4.8
219.10118	4.3
225.05446	0.7
229.08624	6.1
243.06512	0.9
245.08104	0.9
247.09682	4.8
257.08102	4.8
271.05936	0.5
275.09161	19.3
285.07590	0.8
287.05731	0.5
303.08594	5.5
305.34769	0.5
321.09689	30.1
339.10788	7.2
341.13840	0.9
355.15259	1.1
369.11713	2.1
371.14703	1.2
393.95795	0.5
479.06207	0.6
647.89453	0.5
709.24365	4.8
709.37244	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.4
57.22086	1.9
57.61492	1.8
65.03942	4.3
67.05494	5.3
68.58318	2.1
69.07046	5.7
70.90678	4.4
79.05476	5.6
81.07058	37.3
91.05463	4.9
93.03402	4.6
93.07047	25.4
95.08591	12.7
97.02893	100.0
105.07035	2.6
107.08598	7.4
109.10156	8.6
117.03383	8.6
119.08522	2.0
121.10143	97.0
123.11655	3.9
127.40620	1.7
129.07011	3.7
135.11678	7.9
137.05997	3.6
143.84657	2.1
145.01781	3.1
145.02850	33.8
147.04404	2.1
149.02336	8.1
149.05928	2.6
149.13263	14.9
151.03917	2.6
157.06476	6.1
167.03415	83.0
177.05478	83.2
189.09093	7.1
199.07515	5.2
205.19518	70.2
213.05379	2.4
217.08597	8.0
227.07016	5.4
245.08054	13.9
273.07471	4.7
280.77094	2.2
283.23105	2.0
291.08627	70.7
309.09644	18.8
316.54984	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	711.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01879	0.4
55.76598	0.3
57.03420	0.3
63.02386	0.5
65.03958	0.4
68.57791	0.3
69.03432	1.3
69.73954	1.8
70.06580	0.5
71.04998	0.6
78.04733	0.3
79.05515	0.4
81.03424	3.7
81.07061	0.6
84.08137	0.4
85.02906	1.3
89.03922	5.2
91.05467	2.1
93.07052	0.5
94.04197	0.5
95.04957	0.5
95.08588	0.4
97.02898	4.8
98.03230	0.4
98.21535	0.3
99.04451	0.4
103.05460	0.8
105.07059	0.5
106.04179	0.5
107.04947	0.7
107.08616	0.6
107.85084	0.3
109.02864	1.6
109.06536	0.5
109.10169	0.5
113.03714	0.3
117.03388	15.6
118.06389	0.3
119.04934	1.0
120.08127	0.3
121.06496	1.2
125.02476	0.4
127.03969	0.4
129.06999	0.5
131.04932	0.9
134.03661	1.0
135.04424	1.2
137.05988	8.9
138.06401	0.7
145.02855	44.6
146.03171	0.7
147.04413	0.8
149.05988	6.2
149.13310	0.4
151.03920	2.2
151.05025	0.5
151.07553	4.9
157.06470	0.4
158.07253	0.3
163.03943	2.1
163.07553	0.5
165.05482	2.0
167.03424	1.2
167.07069	1.1
168.03741	0.4
175.07545	1.1
177.05478	100.0
178.05902	1.8
179.07043	0.8
180.06581	0.4
186.05475	1.1
187.07561	0.8
189.09100	0.9
193.98929	0.3
195.06573	1.6
195.08052	0.3
201.09091	1.2
201.16350	0.4
203.10501	0.4
212.02727	0.3
215.10709	0.4
217.08676	0.4
243.83366	0.4
263.10498	0.3
265.48666	0.4
277.07047	0.5
279.13989	0.3
284.10025	0.3
305.11642	0.6
307.09732	0.4
311.12769	0.4
321.09708	4.7
322.12283	0.4
325.13974	0.4
335.12866	0.8
337.14444	1.6
339.10794	4.9
339.15463	0.4
353.13748	0.7
355.15378	0.8
371.14890	1.2
501.34140	0.3
616.22083	0.3
711.25928	0.9
711.40961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48416	0.3
53.03951	0.3
55.01881	0.5
55.05510	0.5
63.02377	0.6
65.03938	0.4
67.05521	0.5
69.03426	1.2
70.06614	0.5
70.13968	1.6
71.04987	0.4
78.85889	0.3
79.03978	0.3
79.05492	0.4
80.44978	0.3
81.03419	4.0
81.07082	0.5
85.02915	2.1
89.03927	5.6
91.05476	1.6
93.03374	0.4
93.07042	0.7
94.04224	0.6
95.04984	0.3
95.08578	0.4
97.02892	3.4
99.04464	0.3
103.05478	1.2
105.07029	0.8
106.04131	0.5
107.04984	0.7
107.08622	0.5
109.02881	1.5
109.06546	0.4
111.77048	0.3
117.03387	16.5
119.04932	0.6
121.06509	1.3
121.10155	0.4
122.03656	0.8
127.03945	0.4
129.47116	0.3
131.04941	0.6
133.10031	0.3
134.03651	1.5
135.04408	1.4
137.05197	0.2
137.05981	9.2
145.02856	44.5
146.03192	0.5
147.04408	1.1
149.05995	6.7
151.03915	1.9
151.07555	5.9
163.03862	1.8
163.07549	0.7
165.05481	1.9
167.03429	0.8
167.07074	0.5
175.07568	1.0
177.05479	100.0
178.05811	1.1
179.07054	0.9
186.05495	1.5
189.09134	0.8
195.06509	1.9
201.09085	1.0
201.16426	0.4
205.08553	0.5
207.06668	0.6
215.10735	0.7
217.08463	0.4
285.11072	0.4
291.10080	0.6
293.08582	0.4
305.11642	0.5
306.12476	0.6
307.09421	0.7
321.09689	5.3
325.10660	0.9
335.12460	0.4
337.14267	2.1
339.10788	5.6
339.15381	0.6
353.13712	0.9
355.15018	0.9
371.14758	1.0
593.08691	0.4
605.97656	0.4
711.25421	1.1
711.39636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
57.03425	0.3
63.02383	0.3
65.03917	0.3
67.05492	0.3
69.03432	1.4
70.06595	0.3
70.73128	0.6
71.04969	0.2
77.55913	0.2
78.04703	0.2
79.05495	0.3
81.03426	3.8
85.02908	1.4
87.03974	0.2
89.03919	4.8
91.05479	0.8
93.03465	0.2
93.07076	0.3
94.04198	0.4
95.08614	0.3
97.02892	1.8
98.21450	0.2
99.04456	0.7
103.05484	0.4
105.07043	0.3
106.04195	0.5
107.04929	0.4
109.02895	1.7
111.55199	0.2
117.03390	16.4
118.03745	0.2
119.04936	0.3
121.06503	0.2
121.10165	0.2
122.03703	0.4
123.11690	0.2
127.03911	0.4
129.07010	0.3
131.04922	0.5
134.03635	1.4
135.04419	1.1
136.05212	0.2
137.05989	7.7
138.06346	0.4
143.04851	0.3
145.02852	44.7
146.03165	0.6
147.04401	0.4
149.05997	6.6
151.03961	1.6
151.07547	4.3
156.20453	0.2
157.06480	0.5
162.03160	0.3
163.03911	1.8
163.07568	0.4
165.05463	1.4
165.09111	0.4
166.05978	0.2
167.03448	0.4
174.06744	0.2
175.07582	0.6
177.05479	100.0
178.05881	1.4
179.07076	0.5
179.59161	0.2
186.05476	1.7
187.07506	0.4
188.08279	0.3
189.09076	0.7
195.06540	1.5
201.09128	0.8
217.08481	0.4
254.09245	0.4
265.33621	0.2
277.06937	0.5
285.11282	0.5
287.05527	1.7
291.10068	0.4
305.11615	0.3
306.12640	0.3
310.12021	0.3
321.09695	4.9
325.14404	0.2
335.12735	0.5
337.14243	1.2
339.10803	4.8
339.15414	0.4
353.13849	0.6
355.15549	0.8
371.15015	1.2
440.61954	0.2
497.69254	0.3
515.18146	0.3
585.32483	0.2
709.41211	0.2
711.25452	1.7
711.37885	0.5
722.37122	0.2
725.61182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03949	1.5
55.01854	0.3
55.38283	0.2
62.41010	0.2
64.48582	0.2
65.03911	0.3
69.03414	0.4
71.04994	0.3
79.05458	0.6
81.07062	0.3
85.02892	0.3
91.05489	6.7
93.07050	6.9
95.04967	2.3
98.20687	0.5
102.04771	0.3
103.05479	6.8
105.04511	0.8
106.52766	0.2
110.93410	0.3
115.05451	1.7
117.05756	0.8
117.07009	1.7
118.06551	27.6
119.06902	0.3
121.06511	100.0
121.49223	0.3
122.06861	1.2
130.05025	0.3
130.06602	0.4
132.08058	0.5
142.06544	2.0
143.07304	2.3
144.04472	1.1
144.08092	11.8
145.06477	0.3
146.06017	52.4
147.06395	0.6
162.05467	0.4
163.03917	0.9
165.05450	0.3
170.06023	3.6
176.07063	0.9
178.08646	3.9
188.07076	23.9
190.04985	0.5
203.89784	0.3
204.06575	1.2
218.08174	0.6
220.10863	0.3
221.10228	0.4
222.07632	7.8
234.07739	0.3
236.09253	1.8
237.11693	0.3
239.10982	0.3
262.07071	0.9
280.08188	1.5
295.93353	0.2
342.13406	1.9
409.13910	3.3
524.21320	5.2
529.19757	1.8
531.22363	0.4
582.21887	0.8
707.21313	0.3
711.27600	32.8
712.27789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
53.66259	1.1
54.52383	1.1
54.92005	1.1
55.01877	1.4
57.03427	1.9
58.17033	1.2
60.29130	1.2
61.02925	5.6
61.97216	1.1
69.03432	7.9
70.01095	1.3
71.04974	2.2
71.58067	1.9
73.02919	1.4
74.11176	1.2
78.58798	1.1
79.05502	1.9
79.63891	1.2
81.03418	9.1
85.02910	51.5
89.03898	1.4
91.03950	2.4
91.05495	9.6
93.07050	7.8
94.04173	2.0
94.07352	2.1
95.04949	4.3
97.02896	17.5
99.04453	2.0
103.05489	11.5
104.05804	1.8
105.04454	1.7
107.04968	2.0
109.02862	4.6
111.04424	1.3
115.05411	5.9
117.03362	2.5
117.07014	2.9
119.04933	2.2
121.06510	71.3
122.03637	3.7
122.06840	21.2
127.03925	10.5
128.06229	1.7
129.07008	4.6
131.04916	4.1
133.02844	1.4
135.04373	2.0
136.05157	4.6
137.05984	100.0
138.06342	2.9
139.07542	4.1
143.04935	13.2
145.02843	5.2
145.04970	19.8
145.06482	2.8
146.03271	1.4
147.04379	1.6
149.05992	1.8
151.03926	4.6
151.07547	46.1
153.05461	3.7
157.06497	7.8
158.07262	6.1
159.04459	2.7
159.08051	2.0
160.05180	17.0
161.05931	3.3
163.03944	7.6
163.06027	5.5
163.07471	1.8
165.05507	8.0
167.07043	4.0
172.05206	3.0
172.08849	4.4
173.06078	2.9
174.06776	35.4
175.07558	84.4
177.05458	17.1
177.09134	5.2
178.05783	4.6
179.07063	1.8
186.06813	2.0
187.07553	28.0
188.08395	6.8
189.09117	98.6
191.10593	1.5
191.54028	1.1
199.07516	1.4
201.09116	46.3
203.10632	7.4
205.06740	2.1
205.08609	17.0
207.06532	1.2
211.07550	1.7
214.45708	1.2
217.08626	4.7
219.08093	2.6
219.10150	25.2
221.05859	1.5
225.09109	1.9
227.07016	1.3
231.08275	0.8
231.10193	15.8
233.09456	2.0
235.09634	29.5
239.07178	1.7
241.08621	3.0
249.11237	38.2
253.08546	2.5
254.09444	6.1
255.06546	2.4
258.88361	1.2
261.09177	2.5
262.09882	3.9
263.10745	1.6
265.12006	1.4
269.08038	4.8
270.08917	3.5
273.08972	1.6
274.09952	3.2
277.12192	1.9
279.10031	2.9
280.10779	2.0
284.10403	19.8
285.11179	12.3
289.09207	1.3
290.09589	2.2
291.10284	5.8
293.11615	3.9
294.12738	1.2
295.09641	2.1
297.10941	3.3
301.11078	1.5
305.11746	11.5
306.12509	9.4
307.09732	2.5
310.11899	2.9
322.11917	4.4
325.14413	6.3
337.14355	39.0
355.15424	51.1
531.59631	1.3
594.18744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
53.66259	1.1
54.52383	1.1
54.92005	1.1
55.01877	1.4
57.03427	1.9
58.17033	1.2
60.29130	1.2
61.02925	5.6
61.97216	1.1
69.03432	7.9
70.01095	1.3
71.04974	2.2
71.58067	1.9
73.02919	1.4
74.11176	1.2
78.58798	1.1
79.05502	1.9
79.63891	1.2
81.03418	9.1
85.02910	51.5
89.03898	1.4
91.03950	2.4
91.05495	9.6
93.07050	7.8
94.04173	2.0
94.07352	2.1
95.04949	4.3
97.02896	17.5
99.04453	2.0
103.05489	11.5
104.05804	1.8
105.04454	1.7
107.04968	2.0
109.02862	4.6
111.04424	1.3
115.05411	5.9
117.03362	2.5
117.07014	2.9
119.04933	2.2
121.06510	71.3
122.03637	3.7
122.06840	21.2
127.03925	10.5
128.06229	1.7
129.07008	4.6
131.04916	4.1
133.02844	1.4
135.04373	2.0
136.05157	4.6
137.05984	100.0
138.06342	2.9
139.07542	4.1
143.04935	13.2
145.02843	5.2
145.04970	19.8
145.06482	2.8
146.03271	1.4
147.04379	1.6
149.05992	1.8
151.03926	4.6
151.07547	46.1
153.05461	3.7
157.06497	7.8
158.07262	6.1
159.04459	2.7
159.08051	2.0
160.05180	17.0
161.05931	3.3
163.03944	7.6
163.06027	5.5
163.07471	1.8
165.05507	8.0
167.07043	4.0
172.05206	3.0
172.08849	4.4
173.06078	2.9
174.06776	35.4
175.07558	84.4
177.05458	17.1
177.09134	5.2
178.05783	4.6
179.07063	1.8
186.06813	2.0
187.07553	28.0
188.08395	6.8
189.09117	98.6
191.10593	1.5
191.54028	1.1
199.07516	1.4
201.09116	46.3
203.10632	7.4
205.06740	2.1
205.08609	17.0
207.06532	1.2
211.07550	1.7
214.45708	1.2
217.08626	4.7
219.08093	2.6
219.10150	25.2
221.05859	1.5
225.09109	1.9
227.07016	1.3
231.08275	0.8
231.10193	15.8
233.09456	2.0
235.09634	29.5
239.07178	1.7
241.08621	3.0
249.11237	38.2
253.08546	2.5
254.09444	6.1
255.06546	2.4
258.88361	1.2
261.09177	2.5
262.09882	3.9
263.10745	1.6
265.12006	1.4
269.08038	4.8
270.08917	3.5
273.08972	1.6
274.09952	3.2
277.12192	1.9
279.10031	2.9
280.10779	2.0
284.10403	19.8
285.11179	12.3
289.09207	1.3
290.09589	2.2
291.10284	5.8
293.11615	3.9
294.12738	1.2
295.09641	2.1
297.10941	3.3
301.11078	1.5
305.11746	11.5
306.12509	9.4
307.09732	2.5
310.11899	2.9
322.11917	4.4
325.14413	6.3
337.14355	39.0
355.15424	51.1
531.59631	1.3
594.18744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
56.22853	0.7
67.05510	6.3
69.03415	1.2
69.07064	2.1
69.39277	5.0
69.39700	1.1
70.06579	1.5
71.04996	11.9
79.05484	1.7
81.07062	5.9
83.04977	2.1
84.08113	1.3
85.02901	3.3
85.06071	1.2
85.06551	17.5
91.05486	8.3
93.07037	3.2
97.02895	1.1
105.07035	7.0
107.08605	9.6
109.06490	0.9
109.10164	13.9
111.35825	0.6
121.06499	1.5
123.11694	2.7
133.10141	33.1
134.10414	0.7
151.09961	1.6
151.11191	32.2
154.28429	0.8
163.03894	2.5
169.10818	1.5
169.12250	21.6
187.13304	100.0
188.13730	0.7
244.10812	1.7
289.60736	0.7
294.47061	0.7
301.04971	0.8
349.18512	1.1
366.21384	1.7
368.15692	2.4
387.13281	1.2
480.42838	0.8
482.17642	0.9
568.19202	1.0
714.28400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5517
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03940	1.0
55.05514	6.0
56.04819	0.3
56.05050	3.7
57.07082	2.6
58.06600	0.9
60.04539	1.9
65.03918	0.9
67.05509	12.2
68.05032	0.8
69.03414	1.0
69.07075	7.3
69.35425	0.3
70.06598	2.3
70.65132	0.5
70.65482	0.8
71.04987	0.4
71.08640	2.3
79.05070	0.6
79.05501	9.7
80.05021	3.1
81.03403	0.6
81.05792	1.6
81.07065	11.4
82.06118	0.5
82.06583	7.9
83.08621	4.1
84.08157	0.6
85.02905	2.1
85.10181	0.8
86.06055	0.5
89.56435	0.3
91.05486	8.3
93.05782	0.5
93.07055	10.1
94.06575	17.9
95.04955	1.0
95.07352	8.0
95.08612	7.8
96.08129	5.1
97.02894	0.6
97.10181	2.5
105.04481	0.9
105.07043	5.8
107.08602	4.6
108.08124	2.7
109.10159	3.1
111.11739	0.5
117.07044	0.5
119.08585	5.0
120.08134	0.4
121.08851	0.9
121.10159	6.3
122.09679	1.9
123.11708	1.4
124.11229	0.5
127.03900	0.6
133.10153	4.3
134.09695	0.5
135.10475	0.7
135.11691	2.7
136.11243	1.0
137.13219	0.7
147.11682	1.3
149.13239	1.4
161.13264	1.0
175.14828	0.5
182.19016	0.5
191.17960	0.5
200.40584	0.4
219.21036	0.5
233.22697	3.5
234.22305	0.8
237.22269	0.4
245.22690	4.6
250.25333	8.3
254.24600	0.9
260.23688	0.6
262.25320	100.0
263.25638	1.6
272.25851	5.6
280.26382	7.3
312.25354	0.9
465.00293	0.5
493.62851	0.4
504.47839	5.7
516.47821	31.2
517.48138	1.2
518.42651	0.4
518.49530	5.4
534.48853	20.1
535.49054	1.1
650.25098	0.4
696.54224	6.7
734.60846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18067	0.4
54.17006	0.3
56.96571	0.6
63.61061	0.3
67.48859	0.3
69.03436	0.9
70.03610	1.7
71.22051	0.3
81.87234	0.4
85.02914	3.0
89.03916	0.6
91.05506	0.5
97.02915	1.0
98.97613	1.2
109.02890	0.4
110.20720	0.3
116.98631	0.6
117.03380	0.5
119.01926	0.6
121.01601	0.3
127.03929	0.7
135.04433	1.0
137.06009	1.1
145.02861	0.8
145.05020	0.9
147.04433	0.7
158.99681	0.5
161.03006	0.7
163.03920	5.7
167.07059	1.3
175.83276	0.4
177.05469	1.6
185.04218	2.1
191.03386	0.4
206.05524	3.3
207.06306	5.5
219.01752	0.7
237.00613	0.4
237.02834	0.7
250.33168	0.4
271.04639	0.4
279.07153	0.6
309.09525	0.5
338.09778	0.6
356.51764	0.4
369.11578	100.0
370.03601	0.6
370.11865	1.4
389.11246	0.5
399.12164	2.7
415.09119	0.6
447.59280	0.4
564.72614	0.4
599.57751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01875	1.2
55.05505	0.9
56.67900	0.3
57.03434	0.8
65.03934	1.1
67.05507	2.1
68.99792	0.3
69.03072	0.6
69.03430	9.2
69.07056	0.5
70.06583	0.6
71.04987	2.8
71.58712	0.6
72.08155	0.5
73.02912	1.1
77.03913	0.5
79.05066	0.5
79.05498	7.6
81.03416	5.2
81.07054	1.4
83.01344	1.3
83.04974	0.8
85.02917	1.6
86.09706	0.7
91.04975	0.3
91.05489	6.9
93.07051	8.2
95.04980	0.7
95.08603	0.7
97.02897	20.9
97.06517	1.5
99.04459	3.3
101.73117	0.4
103.05489	0.6
105.07047	2.7
107.04972	2.5
107.08601	29.5
109.02888	15.8
109.06494	1.7
109.10182	1.7
111.04475	0.8
111.08086	4.0
115.03925	1.6
115.05457	1.3
117.07042	2.5
119.04941	0.6
119.06055	0.9
119.08581	0.7
121.06509	5.2
122.03630	0.6
125.05984	1.5
125.09659	0.9
127.03928	11.7
129.06924	0.5
131.04935	0.4
132.70659	0.3
135.08060	100.0
136.05237	0.3
136.08412	1.0
137.05986	7.7
137.09621	0.6
138.06213	0.3
139.07578	1.9
145.02945	0.9
145.04967	35.8
147.04396	0.4
149.06042	0.5
151.03963	0.4
151.07553	5.3
153.07889	0.8
153.09113	12.5
157.06528	0.8
158.07329	0.5
159.08112	0.5
160.05188	0.9
163.03865	0.6
163.07541	8.5
165.05528	0.5
165.09134	0.5
167.03510	0.4
167.07080	0.4
173.05969	0.4
174.06766	1.3
175.07552	3.1
177.05492	1.4
177.09085	0.8
181.08604	17.7
182.08951	0.4
187.07539	1.9
188.08275	0.4
189.09122	4.0
199.09659	10.9
201.09137	2.8
203.10699	0.6
205.08681	0.4
211.07495	0.4
217.08675	0.4
219.08133	0.4
219.10181	0.7
224.90073	0.3
231.10188	0.7
246.10490	0.5
253.10703	0.7
254.09526	0.4
262.06982	0.4
262.09790	0.4
271.11893	1.7
285.11288	1.1
289.10828	0.6
290.09235	0.5
293.11542	0.5
294.12262	0.4
305.11801	1.2
306.12540	0.8
307.11880	5.0
322.11850	0.4
325.12698	4.4
337.14319	4.0
339.15857	0.4
341.12390	0.5
343.13864	1.3
355.15442	3.4
715.27649	2.1
726.18317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
65.03942	0.6
69.31268	3.1
69.31664	0.6
79.05496	0.5
81.03426	1.0
81.07037	0.6
84.44872	0.4
91.05501	1.4
93.03410	1.0
94.04184	2.3
103.05479	1.5
103.53744	0.4
107.05005	0.4
109.06519	1.0
111.04466	0.6
115.05456	6.7
117.07023	1.8
117.49065	0.3
119.04975	0.7
122.03661	5.1
125.06003	1.8
128.06244	1.2
129.07018	4.8
131.04916	3.5
137.05988	71.1
138.06386	1.0
139.29074	0.4
143.04938	8.8
144.05728	2.7
145.06476	1.7
146.03673	1.0
147.08084	0.4
149.05913	0.6
151.03911	1.6
151.04977	0.5
151.07541	1.0
151.47545	0.4
153.05518	2.2
157.06494	4.7
160.05206	15.5
161.06030	2.8
163.07536	2.5
165.05464	0.7
172.05183	2.8
173.05992	0.7
174.06779	1.4
175.07558	100.0
176.07906	1.0
177.05522	0.8
177.09026	0.4
179.07019	0.4
185.06047	0.4
186.71416	0.4
187.07556	32.0
189.09123	6.2
199.07660	0.8
203.08592	0.9
205.08609	16.8
205.10561	0.9
206.08780	0.4
211.07462	0.7
217.08614	3.6
219.08078	1.2
220.08710	1.1
231.08014	1.8
232.08702	0.7
235.07700	0.5
235.09657	12.3
239.07034	0.9
247.07588	1.1
248.08344	1.5
251.10742	0.8
254.79715	0.4
255.06606	0.9
259.07547	0.5
263.10764	1.9
265.08719	0.5
270.08908	2.0
271.09644	3.6
276.07959	1.1
277.08505	0.6
279.10233	1.9
283.09659	0.8
288.34985	0.4
291.10138	4.8
293.08041	0.5
308.10406	0.7
311.12930	2.1
323.12735	4.0
341.13889	4.1
374.83380	0.5
509.20166	0.4
540.84192	0.5
714.58014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43480	0.6
55.05509	1.9
57.03440	1.2
57.06273	0.7
57.07087	0.6
57.78948	0.6
61.02932	5.2
63.89766	0.6
67.05518	5.0
69.03430	2.7
69.07079	1.6
71.01341	0.7
71.56936	0.7
73.02923	3.3
79.05503	3.0
81.03440	1.6
81.07060	5.1
83.04993	1.6
84.00499	0.7
85.02929	3.9
86.09691	1.1
91.03946	3.2
91.05499	2.4
93.07050	5.2
95.04974	0.7
95.08629	3.6
97.02891	3.6
99.04501	1.0
101.02366	2.3
105.07040	1.7
107.08625	3.3
109.02895	1.1
109.06558	0.7
109.10173	1.7
111.08119	0.5
117.07051	0.7
121.06537	2.6
121.10150	1.5
123.11728	1.0
125.00005	0.8
127.03889	1.1
131.08595	1.5
133.10175	0.8
135.11740	2.0
184.07422	2.8
221.11568	2.4
243.08612	1.8
257.80453	0.7
272.77240	0.6
296.38800	0.6
371.87875	0.7
405.19421	0.7
413.53088	0.8
439.19519	4.3
519.29352	8.3
537.51300	0.6
717.41907	100.0
718.42468	4.4
722.43250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01879	0.9
55.05532	0.5
57.03450	0.5
57.56397	0.3
65.03952	0.9
67.05508	1.4
69.03435	10.1
69.22469	0.8
69.22873	2.3
70.06606	0.5
71.05003	2.4
73.02920	1.2
79.05499	7.3
81.03420	5.8
81.07069	1.2
83.01348	1.1
83.04967	0.4
84.04494	0.5
84.08144	0.4
85.02883	1.7
87.04497	0.3
90.38283	0.3
91.05489	6.5
93.07049	6.9
95.04983	1.1
95.08617	0.8
97.02900	17.9
97.06547	1.2
99.04457	3.7
101.84897	0.3
103.05464	0.5
105.07050	3.1
107.04960	2.3
107.08605	28.8
108.08909	0.5
109.02889	19.8
109.06525	2.5
109.10181	1.9
110.78291	0.3
111.08093	3.7
115.03964	1.7
115.05474	1.4
117.03365	0.4
117.07023	3.1
119.06082	0.8
119.08580	0.6
121.06528	5.2
123.08134	0.4
125.06000	1.2
125.09624	0.5
127.03928	12.1
131.04959	0.5
133.06552	0.5
133.10091	0.5
135.08066	100.0
136.08401	1.0
137.05988	7.8
137.09619	0.8
138.06322	0.4
139.07539	1.6
143.04933	0.7
145.04971	41.6
151.03906	0.7
151.07530	0.9
153.09120	10.8
160.05301	0.5
161.06006	0.3
163.07562	7.3
165.09052	0.6
166.04897	0.4
167.03432	0.7
167.07072	0.6
175.04062	0.4
175.07558	4.0
177.05484	1.2
180.06581	1.7
181.08611	17.4
187.07559	2.3
189.09149	0.8
199.09673	11.9
199.11520	0.6
201.09119	0.4
205.08549	1.0
207.06433	0.4
217.08629	0.4
220.06018	0.8
222.07677	0.4
235.09602	0.4
243.10153	0.4
247.09738	0.4
253.10638	0.9
262.06958	0.5
263.10654	0.4
271.09247	0.5
271.11755	2.2
279.12503	0.5
289.10617	1.5
291.10062	0.9
307.11819	8.7
311.12695	1.1
321.14261	0.4
323.12958	1.9
325.12827	7.5
341.13870	2.2
343.13947	2.3
363.15302	0.5
522.23419	1.5
644.26233	0.4
718.29053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01874	2.3
55.05511	6.8
57.03436	12.2
57.07078	37.3
58.21126	0.5
59.05015	0.7
61.02920	1.9
65.03938	0.6
67.05505	13.3
69.03436	24.6
69.07069	6.9
71.01362	1.6
71.02509	1.4
71.04995	63.2
71.08633	26.1
73.02913	2.6
75.04479	3.5
79.05489	0.9
81.03420	28.5
81.07057	17.3
83.04984	17.7
83.08620	11.9
85.02905	100.0
85.06541	0.9
85.10186	16.6
87.04467	2.0
91.05482	3.0
91.18398	0.5
93.07063	1.3
95.04978	2.9
95.08613	24.1
95.09230	1.3
96.18967	0.6
97.02897	27.0
97.10181	6.5
99.04449	6.7
99.11725	0.9
101.02401	0.9
103.03950	9.4
105.07030	2.0
108.04515	1.0
109.02880	23.0
109.06504	0.7
109.10156	12.2
111.04447	16.0
111.05210	1.0
111.11723	1.3
113.06026	0.7
115.05458	1.0
119.04964	1.3
121.02876	0.6
121.06528	1.4
123.04428	1.8
123.11723	5.1
125.02328	0.8
125.13270	1.1
127.03918	33.3
129.05489	20.9
129.06975	1.2
131.04999	0.9
133.06477	1.3
135.04414	1.9
137.05984	9.9
137.13245	2.2
143.04918	0.7
145.04962	11.5
145.06525	1.0
146.08154	0.7
147.04425	3.1
147.06509	6.4
147.07632	0.8
149.05989	2.4
151.03897	1.8
151.07567	5.0
151.14789	0.7
153.05502	0.6
154.97279	0.5
157.06461	1.4
161.05998	4.2
163.03954	0.8
163.07622	0.9
164.09207	3.5
165.05487	13.2
167.07047	1.1
169.04953	0.6
171.06583	1.0
171.08009	0.8
173.06004	1.2
175.07573	3.3
177.05519	1.2
179.07031	10.8
181.05028	0.7
181.06520	1.3
185.05998	0.7
187.07619	0.9
189.05479	1.5
189.09186	0.8
191.07045	3.5
193.04962	1.0
195.06560	2.2
197.08086	1.4
199.07590	2.1
201.05441	1.1
203.07022	5.9
205.08601	1.1
209.08061	0.7
217.08641	2.9
219.06520	1.5
221.08112	7.5
227.07074	1.7
233.08168	1.8
237.07610	9.3
239.23703	34.9
245.08109	14.8
247.09654	4.2
255.08673	4.7
257.24808	3.5
263.09161	18.7
265.10773	1.0
273.09756	0.8
281.10208	1.8
298.27435	1.1
299.11450	0.9
299.25650	2.9
323.25867	0.8
341.26865	9.4
365.26895	5.2
383.27942	23.4
385.29553	2.2
401.28998	58.1
402.29242	1.9
425.29041	0.9
493.31601	1.9
501.32059	1.8
511.32678	4.7
519.33173	14.2
529.33630	1.9
537.34106	2.3
718.45691	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	719.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.3
53.03948	7.3
55.01868	6.1
55.05514	30.2
57.03437	10.4
57.07066	3.9
57.24290	2.0
61.02930	4.8
65.03947	5.5
67.05508	95.1
69.03432	6.7
69.07068	21.3
71.04988	5.5
71.08620	2.8
71.56979	3.0
73.02901	2.7
79.05495	99.7
81.03447	10.1
81.07063	71.3
81.07452	1.2
83.05000	10.6
83.05406	1.9
83.08635	14.3
85.02902	5.6
85.06550	4.6
91.03939	3.1
91.05485	94.7
93.07050	99.2
95.04972	21.6
95.08617	55.4
97.02911	5.1
97.06546	5.8
97.10172	8.1
99.08083	4.1
103.05481	3.2
105.04519	5.6
105.07035	86.4
107.04966	9.2
107.08599	36.3
109.06518	5.7
109.10165	13.7
109.42679	1.9
111.08099	3.9
115.05434	2.3
117.07025	28.6
119.08588	62.3
121.06522	5.7
121.10147	20.4
123.08083	7.8
123.11731	4.6
125.09632	3.2
128.06241	6.6
129.07014	27.5
130.07820	2.3
131.08575	28.0
133.06462	2.6
133.10138	45.4
133.11078	3.3
135.08044	3.4
135.11685	16.3
137.09592	2.6
137.13380	2.1
141.07024	6.3
141.76273	2.1
142.07800	2.2
143.08563	27.7
145.10143	30.5
147.08087	3.0
147.11696	55.7
149.09596	3.1
149.13290	9.5
155.08525	10.2
156.09355	3.5
157.10118	16.5
159.11707	18.9
161.09694	4.6
161.13272	36.0
163.11182	2.7
163.14813	4.8
167.08577	5.8
169.10165	9.8
171.11693	35.3
173.13274	17.4
175.11259	1.9
175.14819	15.5
177.12804	2.4
181.10173	6.1
183.11739	9.2
184.07353	3.1
185.13268	13.7
187.11185	2.4
187.14845	5.0
189.12788	7.8
195.11720	5.1
197.13275	7.3
199.14871	9.5
207.11868	3.5
207.13780	17.2
209.13258	7.0
211.14830	5.3
213.16451	3.1
221.13261	2.9
225.16458	2.7
231.21104	6.7
239.18076	3.7
241.19531	22.9
259.20593	58.0
259.23349	3.0
261.22186	3.5
277.21759	2.7
279.15854	13.0
281.17493	53.0
297.22321	3.5
315.23325	5.8
333.24261	41.5
429.31888	2.4
437.34161	5.3
447.32623	15.7
447.55020	2.1
465.33582	10.5
483.34790	6.1
501.36121	2.9
521.36121	5.6
529.38971	5.5
539.37378	100.0
540.37683	5.4
557.38397	44.7
698.58789	2.1
701.42316	7.0
712.25201	2.2
719.36548	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	721.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.1
66.42686	0.1
67.05495	0.2
70.06586	0.4
71.59012	0.1
75.02042	0.1
75.18211	0.1
77.09841	0.1
77.10320	0.1
84.04480	0.1
85.02932	0.1
91.05483	1.1
93.07014	0.1
94.07382	0.1
97.02850	0.1
98.97583	0.1
103.05478	0.4
105.07025	0.1
106.51755	0.1
115.05467	1.0
116.06228	0.3
116.34441	0.1
117.07011	0.4
119.04973	0.2
119.08620	0.1
121.06512	0.8
122.03616	0.1
122.06837	0.2
127.05434	0.1
128.06221	1.1
129.07013	5.6
130.07788	0.2
131.02121	0.1
131.04938	0.9
131.08572	6.3
133.10046	0.2
137.05994	1.3
141.06995	4.8
142.03235	0.2
143.03691	0.1
143.04927	0.4
143.08560	0.4
143.71632	0.1
144.05710	0.7
145.06448	0.6
146.07274	0.4
147.01982	0.1
147.04398	0.1
148.05197	0.3
151.07465	0.2
152.81351	0.1
155.06038	0.1
157.06505	4.7
158.07285	2.2
159.04414	0.3
159.08066	5.8
160.05200	0.9
161.05975	0.2
161.09615	0.8
162.06700	0.2
163.07547	0.6
169.06483	2.7
169.07593	0.2
170.07275	1.2
171.04445	0.2
171.07909	0.2
172.05162	0.2
173.05984	0.5
173.09619	0.2
174.06772	12.4
175.07558	2.8
176.08366	0.1
182.08186	0.1
183.08017	0.1
185.05980	0.1
186.06764	3.1
187.07506	0.4
188.08374	0.7
189.09116	25.9
190.09474	0.3
191.07050	0.3
191.10675	2.2
201.09117	9.4
202.09435	0.1
207.10168	0.7
219.10173	100.0
220.10524	1.2
237.11237	0.9
369.62695	0.1
447.73645	0.1
464.27377	0.1
525.23151	0.1
721.21259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74474	1.2
53.03944	5.7
55.05512	17.1
57.03443	8.5
65.03927	2.5
67.05506	48.0
69.03409	1.7
69.07078	10.8
71.04973	1.5
73.06584	1.6
79.01195	1.4
79.05498	52.7
81.03412	4.9
81.07059	46.8
83.04987	9.0
83.08613	5.5
86.09697	2.9
91.05483	41.4
93.07049	58.9
95.04944	11.1
95.08609	31.3
97.06557	3.7
97.10136	2.5
98.21490	3.8
103.39283	1.4
105.04500	2.2
105.06388	2.0
105.07043	24.5
107.04987	3.4
107.08604	19.6
109.06528	1.8
109.10170	7.7
111.08087	1.7
117.07018	7.9
119.08590	16.9
121.06506	3.3
121.10126	8.9
123.08049	3.8
123.11720	2.4
125.00037	2.1
129.07024	9.0
131.08556	6.2
133.10139	8.4
135.11685	6.3
143.08566	4.1
145.10136	9.6
146.37286	1.5
147.08044	2.7
147.11699	20.3
149.13274	2.2
159.11714	4.4
161.13261	6.0
161.81680	1.7
171.11693	11.6
173.13322	2.1
184.07341	7.1
189.12769	4.6
207.13803	13.2
243.21136	1.9
261.22095	5.9
263.49872	1.7
271.94119	1.4
279.15857	1.8
281.17453	40.6
335.25812	45.9
338.36096	1.6
387.13876	1.8
541.38898	100.0
542.39008	2.7
721.41418	2.5
721.50812	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01858	4.3
55.05515	25.8
57.03439	13.1
57.07066	3.9
57.38461	1.6
61.02918	5.7
65.03942	4.4
67.05509	74.9
69.03435	16.3
69.07069	23.0
70.38928	1.4
71.04996	30.0
73.02879	2.3
79.05061	2.9
79.05499	47.9
81.02991	2.1
81.03429	33.5
81.07065	100.0
83.04971	9.9
83.08630	13.3
85.02898	5.7
85.06547	10.9
91.03953	2.1
91.05486	62.6
93.07047	49.9
95.04990	9.9
95.08610	43.2
97.02902	12.8
97.06538	10.9
97.10178	3.9
99.04460	4.7
99.34846	1.7
103.05489	2.2
105.07032	48.9
107.04958	4.9
107.07887	3.2
107.08604	42.8
109.02867	7.4
109.06522	5.1
109.10178	18.5
111.04429	3.5
111.08125	4.3
115.05427	3.3
117.07022	20.6
119.08591	43.1
121.10149	26.5
123.04406	2.0
123.08054	4.4
123.11732	13.4
125.09632	2.4
127.03925	6.0
128.06241	3.9
129.05515	3.6
129.06982	16.4
130.07802	1.9
131.08585	29.5
133.09195	1.1
133.10152	33.7
135.08057	2.8
135.11703	16.7
135.77068	1.8
137.09627	1.9
139.11179	2.4
141.07025	4.7
142.07764	4.3
143.08557	17.0
144.09338	2.1
145.06499	3.3
145.10141	28.5
147.08025	2.4
147.11694	26.4
149.09596	3.1
149.13280	12.8
150.33449	1.9
151.11183	6.5
153.12788	2.1
154.07831	1.7
155.08496	8.5
157.10146	19.7
159.08041	4.1
159.11713	23.5
161.09628	3.3
161.13251	11.3
163.14819	5.0
165.07031	2.0
165.12798	4.6
167.08533	5.4
168.09293	2.3
169.10143	11.6
169.12239	2.3
171.11678	18.1
173.04474	16.9
173.09618	3.2
173.13239	12.0
175.11238	5.3
175.14851	6.7
177.12727	4.2
177.16447	2.5
181.10152	5.9
183.11699	9.2
184.07297	2.5
185.09639	2.8
185.13284	11.9
187.13260	7.1
187.14859	7.9
189.12781	2.1
189.16357	6.8
191.17702	1.9
193.12236	3.1
195.11694	5.2
195.13628	2.5
197.09537	2.9
197.13258	11.1
199.11150	2.2
199.14830	5.4
201.16429	2.9
203.18018	4.1
205.15833	4.2
207.11890	1.9
209.13269	7.0
211.14874	4.5
213.16457	2.7
221.13332	1.7
223.14786	2.8
225.14766	3.5
227.14293	1.7
227.16388	3.8
231.20969	2.4
239.17972	3.2
241.19452	5.5
243.15945	7.4
257.17169	3.5
259.20874	12.7
261.22147	3.8
267.15970	2.5
269.17511	6.8
271.20731	3.2
279.52954	1.8
283.20480	2.0
285.22247	1.8
299.18378	1.9
301.20126	4.8
309.22122	1.9
315.23315	3.3
321.22549	1.9
323.23727	2.1
333.24301	10.0
335.25818	2.5
337.21744	2.3
339.23322	2.8
341.24832	2.2
349.21790	2.6
349.57382	1.7
351.23187	3.8
367.22656	5.2
369.24191	2.2
385.23645	3.7
411.32629	2.8
435.32623	4.3
441.26300	3.1
445.24319	4.0
451.19568	1.7
471.35046	2.0
484.35019	2.4
484.85031	9.0
485.35196	7.2
501.35834	24.2
503.37274	42.9
505.36346	1.9
509.36520	2.5
513.34375	2.8
515.35327	1.9
527.37415	39.4
533.38074	4.9
543.36670	2.3
559.39850	8.0
611.39490	2.4
625.41455	2.1
635.39258	3.2
653.40161	6.8
667.41541	6.3
671.41650	12.7
685.42615	5.7
689.42596	14.3
702.98730	1.9
703.43719	6.3
721.02209	3.2
721.39069	5.7
722.00836	1.9
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
50.69275	0.2
55.05524	0.2
56.05042	0.7
57.07069	0.4
57.87539	0.2
58.06623	0.4
60.08168	6.1
66.57216	0.1
67.05502	0.7
69.07059	0.3
70.06589	0.2
71.04996	0.2
71.07382	3.0
71.08633	0.4
71.09860	0.2
71.10199	0.3
72.87658	0.1
79.05506	0.4
79.58304	0.1
81.07070	1.0
83.08641	0.3
85.10192	0.2
86.09712	28.9
91.05500	0.4
93.07035	0.5
93.36893	0.2
95.08615	0.7
98.98473	2.9
103.05073	0.2
104.10754	2.2
105.07043	0.3
107.08613	0.3
109.10159	0.2
121.06528	0.5
121.10181	0.2
123.11757	0.3
125.00016	19.5
133.10152	0.2
145.21635	0.1
151.11201	0.2
155.05226	0.2
184.07353	100.0
185.07724	0.6
206.75909	0.2
243.15987	0.3
248.29405	0.2
269.17480	0.2
287.18494	0.4
306.27884	0.2
313.27426	0.5
481.38864	1.0
556.51910	0.2
631.96698	0.2
690.47327	0.7
722.49768	8.8
723.42944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01871	2.6
55.05307	1.7
55.05518	20.9
57.03442	9.7
57.07073	3.0
65.03937	3.9
67.05512	74.5
69.03439	9.3
69.07074	14.9
69.49800	1.6
71.04996	21.8
71.08614	2.5
79.05064	2.8
79.05503	40.4
81.03426	18.5
81.07063	100.0
83.04979	15.5
83.08645	9.4
85.02901	2.9
85.06528	6.6
86.09698	2.8
91.05492	32.8
93.07054	42.8
95.04964	5.8
95.08622	32.7
97.02895	4.0
97.06529	5.5
97.10175	2.4
99.08044	2.0
105.04508	2.4
105.07030	18.7
107.04990	2.4
107.08610	23.1
109.02868	2.1
109.06512	2.8
109.10176	15.4
111.04400	2.6
111.08123	2.5
113.20279	1.5
115.05503	1.8
117.07019	7.4
119.08603	11.5
120.01545	1.8
121.06520	8.8
121.10172	15.8
122.06851	1.8
123.11711	12.2
127.03957	2.4
129.05490	5.2
129.06990	2.6
131.08549	12.4
133.10138	15.7
135.07979	1.9
135.11667	10.3
137.09544	2.0
139.11206	1.9
143.08575	2.4
145.10112	7.4
147.11699	8.1
149.13319	7.9
151.11203	5.3
156.94533	1.7
157.10217	2.2
159.11673	10.8
161.13240	5.0
171.11685	3.3
173.04469	8.7
173.13222	2.9
175.11119	2.0
177.12746	2.7
183.11565	1.8
183.13803	3.4
184.07376	5.9
185.07579	1.8
187.13313	5.7
187.14804	1.9
193.12341	1.8
201.14835	2.9
243.15918	4.6
261.22202	2.4
269.17502	8.7
279.23160	2.2
287.15048	1.9
317.24762	2.2
335.25867	29.7
369.24152	2.6
443.01294	1.9
445.24271	7.3
503.37393	48.0
504.37396	2.1
505.38855	4.5
516.78094	2.1
517.38593	5.0
529.39020	13.4
561.41547	53.0
655.41595	2.0
673.42737	5.5
691.43860	3.2
705.45728	15.4
723.44354	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	724.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
53.20426	0.2
55.01862	0.5
55.05515	0.6
57.03442	5.7
59.04993	0.4
63.02394	0.4
68.99812	0.2
69.03436	3.0
70.68642	0.2
70.80180	0.6
71.01346	0.7
71.04998	33.2
73.02922	0.8
75.04481	0.8
79.05503	0.7
81.03444	1.3
83.04984	1.5
84.04502	0.5
85.02911	36.2
86.03263	0.2
86.06092	1.9
87.04475	11.2
89.03916	3.9
94.06602	0.3
95.04990	0.5
97.02904	7.9
98.97482	0.2
99.04471	0.7
101.02380	0.3
104.05032	0.2
107.04952	1.4
109.02894	0.6
110.06058	0.9
111.04446	1.2
117.03387	5.0
119.04906	0.2
120.08128	0.3
121.06527	0.3
122.06037	3.6
123.04438	1.5
127.03904	0.8
129.05487	6.9
132.04454	2.2
134.09697	0.5
135.04431	10.3
136.07579	0.3
138.05524	1.8
140.07039	0.8
141.90353	0.2
144.08118	0.4
145.02859	9.6
146.06012	0.4
147.06554	1.2
148.07597	0.7
149.04762	0.2
150.05519	5.4
150.09135	0.6
151.03914	4.5
152.07085	0.7
160.07623	0.4
162.05539	1.0
162.09163	4.4
163.03914	95.3
164.04283	0.8
164.07127	0.4
165.05501	0.3
168.06567	2.4
172.07622	0.6
177.07903	1.2
178.08656	1.3
181.04977	3.1
182.08504	0.3
190.08652	2.9
196.09769	1.3
200.07089	0.5
206.08116	5.4
208.09691	0.9
218.08122	4.6
224.09172	1.8
226.10754	5.7
236.09189	9.5
254.10246	100.0
255.10643	1.3
284.24673	0.2
291.08643	0.3
307.08261	1.1
309.09686	0.4
325.09198	16.7
353.65738	0.2
399.70441	0.2
400.16174	1.4
416.15402	0.9
471.15195	0.5
578.18738	34.0
579.18689	0.8
597.52069	0.3
724.24591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
56.96542	0.8
63.02404	0.9
65.03956	5.3
67.05504	6.0
69.07054	2.6
69.90994	1.5
69.91416	3.0
74.09708	0.9
79.05480	2.6
81.07067	6.8
83.08659	0.8
83.74101	0.7
84.68272	0.8
85.02906	2.5
85.66948	0.7
86.09679	1.1
89.03919	3.4
91.05471	6.9
91.65509	0.7
93.03414	6.3
93.07029	5.3
93.49100	0.8
95.05003	1.1
95.08615	4.1
97.02897	75.6
98.97601	0.8
103.05486	1.0
105.07046	9.5
107.08602	6.4
109.09456	1.4
109.10158	16.5
117.03387	12.2
117.07021	3.8
118.49178	0.8
119.04935	0.9
119.08584	6.5
121.02855	2.1
121.06538	1.9
121.10139	3.0
123.11691	2.2
125.02344	1.4
125.05981	1.5
127.03893	0.7
128.06210	0.8
129.06987	4.4
130.07732	1.2
131.04994	0.8
131.08582	6.9
133.10138	2.7
134.03572	1.0
135.04399	1.2
135.11690	1.5
137.05992	3.3
138.06396	0.7
141.06961	2.1
143.08557	1.5
145.02855	40.8
145.06392	0.9
145.10121	17.3
147.04364	2.2
147.11705	2.1
149.02348	7.8
149.06007	5.4
151.03908	3.5
157.06480	6.3
157.10114	1.7
159.11697	8.3
161.06015	1.1
161.13251	4.1
163.03871	1.4
167.03412	50.8
167.04855	2.1
168.03712	0.9
169.06424	1.9
173.13278	4.0
174.06650	1.0
175.07567	1.8
177.05473	100.0
178.05869	1.6
185.05862	1.8
186.05470	1.6
187.07474	1.1
187.14781	0.9
188.08359	1.3
189.05437	1.6
189.09146	7.1
195.04456	0.9
199.07552	6.3
199.14755	0.8
201.16393	45.6
202.16647	0.9
203.17917	2.5
207.06508	2.4
213.05528	1.6
214.06158	0.9
215.07138	1.0
217.08604	8.4
219.17393	4.1
219.45349	0.8
220.06059	1.6
227.07065	6.1
245.08099	10.0
273.07510	3.9
291.08627	42.9
292.08624	0.9
309.09634	11.1
339.10666	1.0
367.14001	1.3
395.21570	0.8
430.50720	0.8
509.25186	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
55.01871	0.4
55.05516	1.0
56.96577	0.4
57.07062	0.5
65.03948	4.5
65.73016	0.4
67.05509	3.3
69.03427	1.3
69.07080	0.5
70.06586	0.5
70.20913	0.6
70.21262	1.4
71.05008	0.4
71.08627	0.4
71.36470	0.4
74.09698	0.5
79.05501	1.2
81.03408	0.5
81.07059	3.2
83.04979	0.6
84.08156	0.5
84.19677	0.3
84.97670	0.4
85.02924	2.1
88.65753	0.4
89.03911	4.4
91.05479	3.0
93.03410	5.6
93.07055	2.7
95.01271	0.3
95.04980	0.6
95.08619	2.7
97.02901	81.0
98.97588	0.4
103.05484	1.4
105.03365	0.6
105.07041	6.2
107.04880	0.4
107.08606	3.5
109.10150	2.0
110.03686	0.6
111.04446	0.7
115.03985	0.3
115.05469	0.4
117.03389	11.4
117.07023	2.1
119.04967	0.6
119.08589	2.6
120.08120	1.2
120.08945	0.3
121.02894	2.4
121.06513	2.1
121.09427	0.3
121.10106	1.8
122.06818	0.4
123.04418	0.7
124.05247	1.1
125.02370	0.9
125.05981	1.2
128.06247	1.3
129.07019	5.6
130.07771	0.9
131.04935	0.7
131.08574	4.7
133.10156	1.8
134.03651	0.7
135.04443	0.9
135.11673	0.8
137.05980	2.4
139.03903	0.9
139.05429	0.8
141.06990	1.7
142.07802	0.5
143.08575	1.3
144.09364	0.9
145.02859	42.5
145.09035	0.7
145.10136	10.9
146.03197	0.8
147.04459	0.5
147.11758	0.8
149.02367	8.2
149.05997	5.5
151.03928	2.5
157.06509	7.3
157.10126	1.2
159.11703	10.8
161.05992	0.5
161.13272	2.4
163.03928	1.0
163.11203	2.4
164.07133	0.7
167.03427	51.4
169.06546	2.6
173.13278	1.9
174.06699	0.6
175.07559	0.7
175.20210	0.4
177.05484	100.0
178.05846	1.7
179.49094	0.4
180.06635	1.0
181.10205	0.6
183.04333	0.5
183.11725	0.5
184.05103	0.5
185.06009	2.6
186.05515	1.5
187.07520	1.1
187.14815	0.6
188.08337	1.3
189.05478	1.4
189.09120	7.3
195.04451	0.9
195.06459	0.8
199.07573	6.1
199.14868	1.2
201.08998	0.5
201.16399	18.9
203.17979	1.2
207.06494	1.8
213.05467	1.0
215.07037	1.4
217.08627	7.8
219.17474	5.8
220.06073	1.4
227.07040	6.0
245.08113	9.7
255.06525	1.0
262.07111	0.7
273.07651	3.7
279.17456	0.4
291.08658	42.9
292.08847	0.8
297.18488	0.7
309.09711	10.9
315.19513	0.4
339.10739	1.1
349.21649	0.6
381.22696	0.8
413.32739	0.4
471.14841	0.4
509.25497	0.9
544.19263	0.9
573.07904	0.4
580.46851	0.4
616.98914	0.4
650.23230	0.6
724.32684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.1
53.03949	4.6
55.01860	4.0
55.05510	14.2
57.03184	1.5
57.03438	16.3
57.07072	2.1
61.02908	1.0
65.03946	3.0
67.05506	28.5
67.85635	0.9
69.03427	12.6
69.07066	10.9
69.62129	5.1
71.01342	1.4
71.04994	91.8
73.02910	3.3
75.04466	2.9
79.05495	23.0
81.03417	20.5
81.06582	2.2
81.07059	35.4
83.04986	17.5
83.08616	5.7
85.02907	100.0
85.06531	2.6
86.06064	1.0
87.04460	3.3
87.78465	0.9
87.84380	0.8
91.05480	23.8
93.06470	1.9
93.07046	30.9
95.04972	10.9
95.08607	27.9
97.02901	9.5
97.06526	3.8
97.10165	3.1
98.20758	1.9
99.04449	4.8
99.08089	1.4
99.34740	0.9
99.48372	1.0
103.03946	3.0
103.05466	1.5
105.04578	1.1
105.07030	22.4
107.04958	5.0
107.08595	18.5
109.02898	5.8
109.06549	4.5
109.10147	12.6
111.04451	16.1
111.08086	2.8
115.03902	2.3
117.07018	13.4
119.04902	1.2
119.07806	1.2
119.08594	17.0
121.06512	17.3
121.10148	15.1
121.10999	0.9
123.04447	3.5
123.08082	2.6
123.11696	5.5
125.09623	1.5
127.03893	7.2
127.07559	1.0
128.06218	3.0
129.05486	27.1
129.06963	7.2
131.08580	19.3
133.06497	4.2
133.10132	14.9
135.04353	1.2
135.08051	3.7
135.11697	11.9
137.05922	3.5
137.09680	1.3
137.13295	1.4
139.11182	1.1
141.06955	3.4
142.07742	1.3
143.08559	8.2
145.06516	5.9
145.10129	15.3
146.08113	1.6
147.04446	1.6
147.06551	5.9
147.08043	2.7
147.11702	10.1
149.05972	2.0
149.09619	1.7
149.13272	5.7
151.07544	2.1
151.11198	1.3
155.08543	3.5
157.06480	2.4
157.10141	6.6
159.08073	3.5
159.11687	11.2
161.05948	1.1
161.09657	2.0
161.13249	7.1
163.07527	3.3
163.11195	2.4
163.14850	3.2
164.09204	5.3
165.05502	1.0
165.09065	1.8
165.12723	1.4
166.95985	1.0
167.08524	1.3
169.10126	4.4
171.08072	3.3
171.11703	6.3
173.09731	2.2
173.13232	8.1
175.07581	1.7
175.11148	2.6
175.14790	2.7
177.09151	1.3
177.12747	1.3
177.16415	1.4
179.08549	1.2
179.10667	1.2
181.10098	2.4
181.12300	1.2
183.11691	4.2
185.09599	2.0
185.13203	4.8
187.07544	3.6
187.11206	1.7
187.14775	5.5
189.09120	1.4
189.12820	1.7
191.07072	1.5
193.10149	1.3
195.11766	1.7
197.09697	1.3
197.13287	3.0
199.11156	2.6
199.14824	4.3
201.16389	1.3
203.10638	2.1
205.08612	3.4
205.12276	1.4
205.16000	1.2
209.08017	1.2
209.13278	2.6
211.14906	2.4
213.12804	2.4
213.16455	1.7
217.15926	1.0
219.17511	1.1
223.14818	1.6
225.12697	1.8
227.14413	1.4
229.08521	1.2
231.10204	2.5
233.15300	1.5
237.07350	4.6
238.70848	1.0
241.19527	2.2
243.21069	2.8
247.09608	1.9
249.11316	1.4
255.21179	1.2
257.19077	1.4
259.20636	4.2
261.22150	9.0
263.16187	1.0
267.12186	1.8
271.20609	1.7
273.18704	0.9
273.22046	2.6
275.23486	1.2
277.21686	7.0
279.23178	3.1
283.20581	1.6
285.22061	2.8
287.20169	1.2
289.21701	3.0
291.23193	4.3
295.15302	1.3
297.22153	1.5
299.23605	1.8
301.21683	3.9
303.23190	8.9
309.21997	1.4
313.21524	2.8
315.23260	4.9
319.22662	3.2
321.24387	1.4
323.23703	2.2
327.23093	4.2
331.22620	1.8
341.24689	4.5
345.24225	5.0
351.23154	9.2
353.24786	1.5
357.24313	1.3
359.25885	2.2
369.24237	23.0
371.25821	2.3
387.25330	30.0
389.26733	1.7
405.26343	26.5
423.27496	6.0
478.75522	1.0
484.77048	0.9
515.29968	3.1
533.30859	3.5
620.97235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
56.05029	0.8
58.06644	0.3
60.07881	0.3
60.08171	6.1
60.49950	0.2
63.56680	0.2
67.05507	0.9
69.07075	0.5
69.28647	0.6
69.29050	2.1
71.07375	3.7
71.45184	0.2
79.05480	0.5
81.07047	0.6
86.09712	28.9
91.05490	0.3
93.07024	0.4
98.98463	2.9
104.10769	2.1
104.86005	0.3
107.08540	0.4
109.10178	0.4
116.47444	0.3
117.30188	0.3
119.08601	0.4
125.00016	20.0
149.53786	0.3
184.07355	100.0
185.07698	1.0
204.27422	0.3
263.23856	0.3
277.17990	0.3
305.94217	0.3
409.46729	0.2
530.46912	0.3
644.25787	0.3
688.34265	0.6
688.45526	8.1
689.45392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2291
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
51.60584	0.1
52.99842	0.1
55.01849	0.1
55.05500	0.1
57.03434	0.7
59.04984	0.1
66.13022	0.1
67.01868	0.2
68.99463	0.1
68.99824	0.2
69.03416	0.1
71.01338	0.1
71.04998	4.2
71.58570	0.1
73.02901	0.1
75.04458	0.1
83.04980	0.3
85.02910	5.6
87.04469	0.2
91.05472	0.2
96.34632	0.1
97.02914	0.1
99.04449	0.1
102.48268	0.1
104.11932	0.1
109.02888	0.1
111.04441	0.3
114.05249	0.1
119.04951	1.1
121.02860	0.4
127.03928	0.1
129.05493	1.3
137.05965	0.1
145.02818	0.4
147.06500	0.3
150.51932	0.1
152.07088	0.1
153.01839	3.3
163.03918	0.3
163.06093	0.1
171.02866	0.2
194.06323	0.1
194.08076	0.1
201.05368	0.1
203.07021	0.1
225.05505	0.3
229.05008	0.3
239.09035	0.1
243.06491	0.2
247.06104	0.1
257.10104	0.1
271.06021	100.0
272.06348	1.6
283.05975	0.1
313.07144	0.2
316.11649	0.1
337.06882	0.1
417.11615	0.1
433.11316	1.3
579.17114	5.8
580.17114	0.2
725.23010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01852	1.6
55.05517	12.4
57.03438	9.5
57.07047	2.0
61.02939	2.8
61.03169	0.5
65.03922	2.1
67.05508	54.8
69.03415	0.9
69.07073	16.7
71.04996	3.4
71.26227	0.9
74.99858	0.7
79.05495	35.7
81.03391	1.6
81.07060	60.5
82.07353	0.7
83.04985	4.4
83.08619	9.3
85.02878	2.4
85.06547	3.4
86.09665	0.9
89.32531	0.6
91.03943	0.9
91.05482	18.5
93.07047	48.6
94.31396	0.6
95.04948	2.5
95.08612	28.4
97.02882	1.0
97.06541	7.1
97.10138	1.8
99.04442	0.6
99.08098	2.8
105.04473	1.0
105.07034	9.0
107.07875	1.3
107.08598	26.9
109.06487	2.4
109.10152	9.5
111.08097	3.6
111.11695	1.1
113.05989	0.6
113.09637	1.0
117.07026	7.5
119.08594	7.4
121.06489	2.2
121.10143	20.0
123.08102	0.9
123.11732	3.4
125.09596	1.2
129.07127	0.6
131.08572	9.0
133.10132	7.1
135.08044	1.4
135.11690	10.1
137.13264	0.8
139.11160	1.2
145.10121	3.6
145.77098	0.7
147.11681	2.8
149.09627	0.6
149.13261	23.8
150.13608	0.6
151.11237	0.7
157.10106	0.8
159.11702	10.6
161.13229	2.4
163.14775	1.6
165.12675	0.7
171.11668	0.8
173.13234	2.3
174.18066	0.6
175.14775	1.1
177.12781	3.5
177.16232	0.7
184.07382	2.9
187.14842	0.9
195.13814	7.6
243.21072	2.6
261.22092	8.5
263.42142	0.5
267.15848	1.7
269.17490	78.2
270.17908	0.9
317.24710	3.0
335.25815	53.2
336.25854	1.1
433.29163	0.6
437.34192	1.6
455.35535	0.8
529.38910	100.0
530.39349	2.7
547.40137	1.7
726.45758	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01880	0.5
55.05511	3.5
57.03427	1.2
57.07072	1.8
65.03938	0.8
66.04723	0.6
67.05508	12.9
69.03434	0.9
69.06722	0.5
69.07073	6.1
71.04986	0.6
71.58828	0.6
71.59203	0.5
72.82706	0.4
76.06406	0.4
79.05495	14.3
81.03436	1.5
81.07060	100.0
82.07388	1.0
83.04991	1.1
83.08618	1.7
85.02924	1.1
85.06532	0.8
91.05481	6.7
93.07045	9.3
94.87151	0.4
95.04982	2.1
95.08610	19.3
97.02894	10.2
97.06549	1.6
97.10172	0.5
105.07034	7.3
105.97929	0.5
107.05005	0.9
107.08599	6.0
109.06533	1.5
109.10165	4.1
111.08081	0.6
115.05483	0.4
117.07015	4.3
118.02760	0.4
119.08591	5.2
121.06523	1.1
121.10142	3.6
123.08102	0.8
123.11780	0.6
128.06230	0.7
129.07010	2.0
131.08577	4.2
133.06534	0.6
133.10132	4.3
135.08104	0.7
135.11714	2.7
137.09668	0.4
137.13260	18.6
141.07071	0.5
143.08569	2.1
144.06619	0.4
145.06511	0.8
145.10138	3.7
147.08054	0.6
147.11722	2.3
147.23625	0.4
149.09651	0.8
149.13290	1.7
151.07649	0.4
154.15959	0.5
155.08630	1.5
157.10181	1.8
159.08075	0.9
159.11717	3.9
161.09659	0.9
161.13281	1.9
163.11249	0.8
169.10173	0.9
171.08037	0.6
171.11752	1.8
173.09654	1.0
173.13261	1.4
175.11241	0.6
175.14896	0.9
177.12790	0.5
183.11761	1.4
185.09659	0.4
185.13310	1.1
187.11223	0.6
187.14844	1.2
189.12761	0.6
193.12273	0.5
195.11778	0.7
195.13814	0.5
197.13359	0.7
199.14897	0.8
201.12759	0.8
201.16341	0.5
211.14728	0.6
221.15189	0.5
223.14874	0.4
237.16345	0.5
241.19394	0.6
259.20758	0.9
261.22223	1.0
269.17484	3.7
273.22040	0.6
277.21747	1.3
285.22168	0.6
289.21619	0.7
303.23224	1.1
311.23972	0.6
327.23212	0.6
329.24838	1.1
335.25861	3.3
339.23270	3.4
345.24231	0.6
357.24246	5.0
375.25302	21.9
376.25974	0.5
393.26297	1.2
529.38959	5.1
537.30603	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	728.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.1
63.71894	0.4
69.03397	0.9
69.43587	0.7
69.43994	2.0
70.06557	0.4
71.04974	0.8
85.02872	1.3
91.04974	0.4
91.05485	5.4
93.07050	6.9
95.04939	1.3
97.02885	0.7
98.20885	1.1
103.05470	4.4
105.04510	0.6
116.05000	0.4
117.05733	0.6
118.06549	2.9
120.04518	0.6
121.06518	28.1
129.05531	0.4
134.09647	1.0
136.07594	0.4
144.04491	1.8
144.08029	0.4
145.02789	0.7
146.06023	13.7
148.03859	0.5
149.05907	0.4
160.07536	0.6
162.05479	1.4
162.09117	1.1
163.03922	2.3
164.07076	1.4
172.03922	1.5
176.07068	1.6
177.05537	0.6
178.08647	29.2
179.08800	0.4
180.10214	0.7
188.07027	4.2
190.04993	1.5
190.08635	6.0
194.08147	0.7
196.09587	0.5
204.06546	1.4
206.08148	8.1
208.09721	4.2
209.10425	0.8
216.06557	4.2
220.09706	20.1
222.11270	71.8
223.11794	2.3
224.09242	0.7
224.12735	0.4
234.07634	6.4
238.10713	0.8
240.12466	0.6
243.08624	0.3
248.09200	14.8
266.10257	100.0
267.10620	1.1
282.13251	2.1
312.14600	0.9
384.16632	0.8
386.15918	6.6
402.17847	1.9
403.12866	0.6
428.15549	1.4
446.16779	2.3
476.19290	0.9
506.20383	0.8
522.30579	0.4
548.21082	2.5
564.80328	0.4
566.22369	30.2
567.22485	0.9
590.20953	0.4
728.27649	82.6
729.27802	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	728.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03946	2.3
65.03945	0.9
69.03405	0.4
70.06593	0.7
79.05488	0.4
81.03379	0.8
85.02897	1.2
87.04472	36.8
89.03964	0.4
91.05486	11.3
92.04977	0.7
93.07053	11.4
95.04973	2.7
99.85355	0.4
103.05479	9.3
105.04509	1.0
109.07235	0.4
116.05004	0.5
117.05752	2.8
117.09794	0.4
118.06556	5.8
120.04519	0.5
121.06513	51.2
122.06854	0.7
127.03907	0.5
132.08089	0.8
134.05983	0.8
134.09677	1.2
136.07518	0.4
137.06017	1.7
138.06310	0.5
144.04459	6.9
144.08084	0.5
146.06018	19.6
147.06343	0.6
162.05507	4.9
163.03905	1.7
164.07094	1.5
172.03963	3.2
176.07100	9.1
177.07539	0.4
178.08646	51.2
188.07178	0.4
190.04993	4.4
204.06577	7.8
222.07623	9.7
223.07950	0.4
248.09166	1.8
250.10780	1.2
251.11450	0.6
262.10794	5.2
264.12332	14.0
267.47400	0.4
270.55783	0.4
273.02036	0.4
276.08704	2.5
290.10263	8.1
308.11292	49.3
309.11658	1.1
428.17184	3.8
529.41559	0.4
564.24225	0.6
608.23065	0.6
728.29163	100.0
729.29462	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	728.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.5
53.03949	2.7
53.12428	0.3
55.01868	0.5
65.03928	0.7
70.06591	0.6
71.55905	0.4
72.15868	0.3
79.05497	0.5
85.02903	1.0
87.04475	35.6
91.05491	9.8
91.06062	0.6
92.05001	0.7
93.07053	10.6
95.04990	2.3
97.02920	0.4
103.05476	9.6
105.04510	1.0
116.04988	0.9
117.05776	1.7
118.06538	4.8
119.04963	0.5
120.04487	0.6
121.06518	49.2
122.06853	0.8
132.08136	1.0
134.06035	0.6
134.09697	1.2
135.04509	0.4
136.07529	0.4
137.05992	1.2
144.04463	5.9
145.04892	0.4
146.06020	18.8
147.06294	0.5
162.05515	5.4
163.03937	1.6
164.07076	1.9
172.03989	2.6
176.07082	8.0
178.08649	46.4
179.08968	0.4
188.07053	0.7
190.04979	4.3
204.06570	6.6
222.07639	9.6
248.09236	1.4
250.10699	1.2
262.10788	5.3
264.12332	13.0
266.10132	0.5
276.08835	2.4
290.10272	8.3
294.09882	0.7
308.11304	49.6
309.11615	1.0
314.33643	0.3
329.57532	0.3
351.12411	0.4
428.17108	4.1
564.24438	1.0
728.29150	100.0
729.29553	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	728.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.05262	1.2
55.05515	17.4
57.03443	12.7
57.07068	2.3
61.02924	3.8
65.03944	2.3
67.05509	67.8
69.03416	1.7
69.07072	21.3
71.04988	4.3
79.05495	27.1
81.07061	68.1
83.04987	1.6
83.08624	17.7
85.02900	3.5
85.06546	6.4
86.09695	1.8
91.05481	15.0
93.07048	33.4
95.04974	2.6
95.08613	96.4
97.02885	2.2
97.06544	7.2
97.10188	4.6
99.08096	3.1
105.07030	12.9
107.08597	17.4
109.06542	2.2
109.10161	27.9
111.08089	1.9
111.11762	1.5
115.07473	0.9
117.07011	3.6
119.08605	11.8
121.06535	1.3
121.10148	13.4
121.32938	1.0
123.11734	4.7
125.00027	1.3
127.48584	0.9
131.08568	6.8
133.10143	10.7
135.11676	13.3
137.09584	2.1
137.13231	3.5
145.10153	4.0
147.11693	2.8
147.14177	0.9
149.13255	5.3
159.11696	3.5
161.13266	13.3
163.14812	1.8
173.13278	3.8
177.16393	1.1
179.14360	4.6
184.07379	4.0
187.14897	1.7
197.15387	2.0
215.16394	1.8
243.21053	2.7
244.11047	0.9
261.22128	9.9
269.17505	2.8
271.19052	77.7
317.24762	2.5
335.25809	100.0
336.26141	1.5
371.53851	1.0
428.78522	1.1
450.53290	0.9
531.40479	91.2
532.40735	4.0
549.41046	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	729.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
54.25934	0.6
55.01868	1.4
57.03412	0.7
59.66366	0.5
60.74664	0.6
65.03943	9.6
67.05505	1.6
69.03424	2.0
70.06585	1.0
71.57897	0.7
72.97176	0.5
78.04714	1.8
79.05502	3.5
81.03410	1.3
82.04187	2.1
85.02921	3.6
86.09711	0.6
89.03910	0.8
91.05490	6.6
93.03406	7.5
94.04220	0.7
95.01315	1.8
95.04970	2.2
97.02909	1.8
97.06500	0.6
103.05470	2.6
105.07039	4.9
106.04189	1.4
107.04971	6.0
109.98782	0.5
110.02907	0.7
110.03661	10.9
111.04453	10.5
115.05435	3.4
117.07005	0.7
118.04182	1.0
119.04951	5.6
119.08591	1.2
121.02790	0.7
121.06499	2.4
122.03648	0.8
123.04409	3.4
124.05194	1.5
125.06003	13.4
127.03941	0.8
128.06212	2.1
129.07019	4.9
131.04921	4.4
131.08531	0.6
132.05673	0.8
133.02856	1.6
133.06517	3.6
137.05983	9.3
138.03119	1.3
143.04979	0.6
143.41135	0.6
144.05728	1.0
145.02834	0.7
145.06476	1.7
147.04408	7.0
147.08014	1.6
149.06004	1.3
151.03909	2.1
151.07524	2.4
152.04721	1.0
153.05469	63.3
155.04913	0.8
156.05598	0.8
157.06505	0.6
159.04160	0.6
159.08095	6.1
160.05203	1.4
161.06001	5.8
162.06738	0.8
163.03928	1.4
163.07561	2.0
165.05482	1.6
165.06960	1.0
167.07045	38.3
171.04346	1.2
171.08119	0.7
172.05190	2.0
175.07521	9.2
176.04663	0.7
177.05473	2.9
178.07753	1.8
179.06967	4.2
179.08353	0.7
181.04930	0.8
184.05203	1.0
185.06004	1.6
186.06775	2.0
187.06062	1.1
187.07542	10.1
189.05463	3.7
189.07011	1.6
189.09216	0.7
190.06210	0.7
190.07689	2.8
191.07140	4.2
191.08426	3.7
192.09283	0.7
193.06497	0.7
193.10185	0.9
194.07214	0.8
195.07979	1.2
198.06770	1.2
199.07535	4.5
201.05444	0.9
202.07726	4.1
203.08591	3.3
204.09372	0.7
205.06502	2.5
205.10127	0.8
206.07281	2.7
207.06367	0.8
207.08063	2.3
208.08812	1.0
211.07462	0.6
214.06268	1.1
215.06995	2.1
215.08743	1.3
216.07790	9.1
217.06546	1.4
218.07251	3.7
219.08057	9.6
220.08809	3.9
221.05983	2.6
221.09604	2.9
222.06821	1.5
223.07510	1.5
229.06471	1.1
229.08565	6.7
231.08026	4.0
232.08849	1.4
233.05988	2.4
233.09644	3.3
234.06715	3.4
235.07547	6.1
236.08211	5.6
237.09091	2.7
239.06924	1.2
245.05896	1.5
245.09770	0.7
246.06764	2.2
247.07559	6.3
248.08345	4.7
249.05505	1.5
249.09151	7.5
250.06224	1.4
250.09837	1.4
251.07155	1.6
251.10689	11.9
253.08591	1.6
259.07651	2.4
260.08328	1.6
261.05533	1.7
261.09140	4.2
262.06134	1.1
262.09854	0.9
263.06979	5.0
263.10519	2.8
264.07834	10.0
265.08563	9.3
266.09418	1.2
267.06549	0.7
267.10098	0.7
274.06326	0.9
275.07043	4.4
275.10239	0.9
276.07806	8.3
277.08649	6.5
278.06284	1.0
278.09216	5.3
279.06882	1.1
279.10120	9.0
280.07275	0.6
280.10837	1.3
281.08237	1.7
281.11743	4.0
287.91721	0.7
288.07883	1.8
289.05527	0.6
289.08578	3.8
290.09363	1.3
291.06897	1.0
291.10165	3.9
292.07349	2.7
292.10757	0.8
293.08118	5.4
293.11749	2.3
294.08981	1.3
295.09521	1.1
301.08392	0.7
304.07346	2.0
305.08087	2.1
306.08856	2.8
307.09637	37.5
308.10315	6.6
309.07654	1.1
309.11133	6.2
310.11893	0.7
311.09314	0.8
311.12811	2.3
319.09656	7.8
320.10468	3.3
321.07574	1.1
321.11108	5.5
323.09174	1.0
323.12744	6.5
324.09937	1.6
326.11404	0.9
337.10648	2.5
337.14264	0.7
339.12271	100.0
340.12558	2.9
341.13812	11.9
351.12286	28.4
352.12759	1.7
353.13776	5.8
369.13239	3.8
499.17459	2.1
612.19318	0.7
711.70667	0.6
729.27032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26411	0.6
53.03942	0.8
55.01881	1.4
61.02931	0.7
65.03944	5.6
66.04729	0.6
67.05511	1.2
69.03441	3.8
69.36813	1.4
69.37220	3.3
71.04987	0.9
71.95387	0.6
77.03926	0.9
78.04707	2.4
79.05495	4.9
81.03403	1.7
85.02899	6.7
89.03915	1.2
91.05479	9.0
92.58523	0.6
93.03403	4.7
94.04205	0.7
95.04962	1.6
97.02883	1.9
98.21476	1.0
103.05460	4.8
104.06245	0.7
105.07037	7.1
106.04178	0.8
107.04960	9.1
109.02896	1.0
110.03667	3.7
111.04453	4.2
115.05457	4.9
117.03344	0.8
117.07001	1.9
118.04160	2.2
119.04969	6.9
119.08619	3.3
121.02847	0.6
121.06529	1.3
122.03665	1.4
123.04436	5.0
124.05219	2.6
125.05999	5.9
127.03883	0.9
127.05465	0.7
128.06206	3.0
129.06996	4.9
130.04152	1.0
131.04942	4.8
132.05688	3.5
133.02858	12.7
133.06499	6.1
134.03548	0.8
135.04437	1.5
136.05276	0.7
137.05986	12.5
137.71588	0.6
141.07019	2.0
143.04958	1.1
144.05745	1.5
145.02811	0.8
145.06534	2.0
147.04417	8.0
147.08090	4.3
149.05983	3.8
150.06725	1.6
151.03947	3.0
151.07558	2.2
152.04677	2.0
153.05475	24.9
156.05710	1.1
157.06537	1.0
159.08073	6.8
160.05222	2.7
161.05980	8.7
163.03960	1.4
163.07518	2.5
165.05495	2.0
167.07051	100.0
168.05743	0.7
168.07402	0.9
169.06519	2.0
171.04434	1.0
171.08041	1.6
172.05188	1.0
173.06105	1.5
175.03940	3.7
175.07556	37.0
176.04694	2.2
176.07951	0.7
177.05467	2.2
178.07761	1.2
179.07074	7.4
179.08594	1.1
181.06541	0.8
181.08604	0.7
183.06459	0.6
184.05200	1.5
185.06050	1.4
186.06766	1.7
187.05869	0.9
187.07545	16.7
189.05479	4.1
189.07031	1.8
189.09105	1.7
190.07816	3.4
191.07043	14.4
191.08614	2.5
193.06793	1.2
193.08588	9.5
193.10194	0.7
194.07208	0.6
199.07526	11.9
201.05469	1.7
201.09105	4.5
202.07845	2.7
203.06975	1.2
203.08607	4.1
203.31024	0.6
204.09409	0.7
205.06509	3.3
205.08275	0.7
206.07294	1.3
207.06505	1.5
207.08118	1.8
208.08836	1.2
209.08049	0.8
214.06221	0.9
215.06882	1.5
215.08646	2.3
216.07861	2.3
217.06586	1.0
218.07329	4.3
219.08069	8.1
220.08873	2.7
221.06157	1.3
221.09618	3.8
222.06741	1.0
223.07564	1.1
224.11108	1.0
229.06563	0.8
229.08690	2.0
230.07254	1.4
231.08072	4.9
232.08826	2.3
233.06032	3.5
233.09625	4.7
234.06769	3.2
235.07529	5.3
236.08253	3.1
237.09019	1.7
243.08113	1.4
245.06012	1.9
246.06758	2.9
247.07588	5.8
248.08301	5.9
249.05560	1.3
249.09140	5.9
250.06238	1.7
250.09964	1.7
251.07069	1.7
251.10664	5.4
253.08754	1.2
258.06870	1.7
259.07565	3.4
260.08334	3.4
261.05569	3.2
261.09116	4.5
262.06418	0.9
262.09882	2.0
263.07007	3.4
263.10712	2.6
264.07794	4.2
265.08618	8.0
266.09503	1.4
270.20163	0.6
273.05603	0.6
273.09164	1.6
274.06219	1.7
275.07138	3.7
275.11191	0.7
276.07840	9.7
277.05429	1.0
277.08609	4.9
278.09311	3.7
279.07242	1.0
279.10092	4.5
281.08408	1.2
281.11737	4.5
287.07074	1.4
288.07965	1.7
289.08582	5.2
290.06287	1.0
290.09207	3.9
291.06815	1.0
291.10196	6.3
292.07364	1.4
292.10822	1.4
293.08090	5.7
293.11771	3.3
294.08902	2.1
295.09814	1.0
296.10388	0.8
303.10095	0.8
304.07227	3.2
305.08044	2.7
305.11200	0.7
306.08853	2.6
307.09680	13.8
308.10419	5.5
309.11215	4.5
310.12012	0.8
311.12753	4.5
318.08810	0.8
319.09653	16.7
320.10257	3.6
321.07645	1.0
321.11185	10.1
322.11816	0.9
323.09253	0.9
323.12759	8.3
324.09839	0.8
325.10715	7.3
325.14297	1.7
326.11627	0.9
336.09964	1.9
336.13571	1.1
337.10754	1.6
338.11639	1.4
339.12289	42.0
340.12656	1.4
341.09885	1.2
341.13846	12.4
351.12292	50.5
352.12921	1.7
353.13849	12.6
355.15387	1.9
369.13339	8.0
369.63715	0.6
489.19012	1.1
501.18951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01883	1.5
57.03425	1.5
61.02916	2.3
69.03438	8.6
70.06583	2.8
71.04988	1.7
71.57823	1.9
74.46374	1.3
79.05493	4.2
81.03421	8.9
81.07078	2.2
85.02910	19.0
86.09691	2.0
91.05472	4.1
95.04980	2.6
97.02893	6.3
97.62633	1.2
98.97598	3.3
103.05469	6.3
105.07035	3.3
107.04959	8.7
107.84106	1.3
109.02867	2.2
111.04418	1.7
115.05445	9.7
117.07032	11.0
119.04948	2.7
121.06516	3.0
122.03632	3.0
123.04425	4.3
125.06024	2.2
127.03908	3.6
127.05389	1.3
128.06259	2.8
129.07033	7.3
131.04936	8.1
131.08575	3.2
133.02869	2.3
137.05981	75.2
138.06297	2.8
143.04904	6.8
144.05676	2.6
145.05161	2.4
145.06487	24.9
147.04356	3.5
147.07996	2.4
149.05916	1.6
151.03882	2.9
153.05490	2.7
155.06065	3.5
156.05713	3.6
157.06517	8.1
159.08063	5.0
160.05203	15.4
161.06046	7.0
163.03914	5.0
163.07523	4.7
165.05473	3.2
167.07053	36.0
172.05170	2.2
173.05994	54.7
174.06758	3.1
175.07553	100.0
177.05463	5.4
178.73445	1.3
180.08780	6.2
181.08791	1.4
185.05930	1.8
187.07559	40.9
189.09155	8.0
190.06261	19.3
193.08702	1.7
202.06158	2.3
203.06995	7.1
205.08601	94.9
217.06532	2.9
217.08603	41.9
219.10089	2.1
221.09720	2.0
223.09747	2.7
233.09654	2.1
234.06718	2.1
235.07724	2.0
235.09657	56.6
241.08624	4.4
247.07513	1.7
247.09749	7.8
248.08386	1.6
249.09200	2.6
250.09836	1.6
259.08487	1.4
261.09128	5.2
263.07040	3.1
265.10742	47.8
269.07971	2.0
277.08603	4.2
278.09497	3.1
279.09845	1.7
281.11737	4.0
285.07565	6.2
289.08728	1.9
293.11670	4.7
300.09979	7.9
301.10657	4.4
306.08780	2.5
307.09738	1.8
309.11111	3.2
311.12781	1.7
313.10596	1.5
321.11197	5.8
323.08951	1.8
326.11578	1.8
339.12173	2.5
341.13873	10.9
353.13834	11.8
371.14868	37.4
432.11508	1.4
521.62714	1.2
610.55988	1.6
730.26349	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01871	5.4
55.05504	6.3
57.03432	4.2
65.03944	1.8
67.05500	5.4
69.03432	16.6
69.07070	23.0
70.06557	1.9
71.05003	8.8
71.57430	2.3
73.06544	3.2
79.05495	15.3
81.03424	12.1
81.07068	11.7
83.04987	65.2
85.02902	12.5
85.06519	2.8
91.04956	2.8
91.05482	23.0
93.07055	17.2
95.04992	13.5
95.08583	6.7
97.02892	6.6
97.06543	51.5
99.04461	13.8
101.06039	2.8
103.05476	2.0
105.07036	49.1
107.04963	8.3
107.08595	10.5
109.02893	3.2
109.06509	14.5
111.04436	2.1
111.08154	1.7
112.07836	1.6
112.11183	1.7
113.05998	3.0
115.03933	1.9
115.05465	3.2
117.07031	9.9
119.04907	3.7
119.08574	10.9
121.06519	45.7
121.10181	2.9
122.06805	2.6
123.04453	3.9
125.06004	100.0
127.03941	4.5
128.06187	3.0
129.06992	5.0
130.07825	4.2
131.08586	17.5
133.06496	10.3
133.10124	5.3
135.04419	5.6
135.08031	3.1
135.11728	3.3
137.05943	7.4
139.07573	1.7
141.07005	2.3
142.07761	2.0
143.07047	85.1
143.08492	6.3
144.05736	2.4
144.09358	4.5
145.06537	10.2
145.10132	77.7
147.08022	5.2
147.11676	2.6
149.06078	1.7
151.07555	15.7
155.08527	4.2
156.09315	1.8
157.10114	3.0
158.07307	9.4
159.08070	11.2
159.11720	29.7
161.09665	3.0
163.03886	9.0
163.07578	2.9
163.11203	24.2
165.05502	4.7
167.08463	1.7
169.10144	13.6
171.08031	3.6
172.08740	3.5
173.09639	68.3
175.11015	1.9
177.12759	15.4
187.09494	3.1
187.11200	63.6
189.09084	2.2
189.12752	4.9
191.10661	24.7
197.09645	10.3
198.09631	1.6
205.12256	66.5
206.12491	2.3
209.11697	10.1
215.10699	56.7
217.12190	1.7
223.13339	4.0
231.19164	1.8
233.11749	94.0
251.12790	45.0
251.15211	3.6
258.07648	3.7
259.08121	1.8
265.47266	1.7
269.13837	6.7
279.12329	2.0
289.14969	1.8
317.13800	2.8
359.14905	5.5
377.15955	13.1
395.17188	11.1
413.18069	42.5
519.21625	1.8
575.22974	3.7
730.29468	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	730.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01872	7.7
55.05519	1.0
57.03439	5.9
60.04507	0.4
61.02925	6.3
66.23999	0.3
67.05499	1.5
68.99790	3.0
69.03429	33.9
69.07056	0.4
69.61156	2.3
71.01348	0.7
71.04994	4.0
73.02920	5.8
79.05493	0.8
81.03419	23.9
81.07061	3.0
83.01340	0.8
83.04988	1.2
85.02905	100.0
86.03249	0.7
87.00831	38.1
87.04476	0.8
91.03951	1.6
91.05486	1.7
93.07028	1.9
95.04977	0.8
95.08602	3.7
96.26821	0.4
97.02891	34.3
97.10181	0.8
98.06071	0.4
99.04453	13.3
101.02377	0.7
103.03960	1.7
104.10733	0.4
105.01865	63.0
105.07035	2.1
107.08594	1.5
108.04493	1.8
109.02879	32.5
109.10144	2.1
111.04477	0.5
111.11691	0.5
115.03962	0.8
117.01836	2.5
117.07016	0.4
118.89777	0.4
119.08594	1.6
119.17355	0.4
119.82174	0.4
121.06545	0.6
121.10163	1.6
123.04441	1.0
123.11723	1.0
125.02323	0.8
126.05569	0.8
127.03917	73.8
129.01849	5.1
129.05478	0.6
131.08557	1.0
133.10147	1.9
135.11710	1.6
145.04961	30.3
145.10126	0.9
147.02904	4.0
147.06490	0.5
147.11699	2.8
148.50655	0.4
149.13261	1.5
151.03886	1.0
159.02884	11.6
159.11597	0.8
161.13239	2.3
163.03944	0.5
163.06001	0.7
163.14781	0.5
169.04936	0.9
171.02869	0.8
173.04382	0.4
173.13226	0.7
175.14856	2.5
177.04025	0.8
179.99626	0.4
180.08748	0.4
181.04979	1.3
184.07336	0.4
187.05998	0.4
187.14847	0.7
189.03972	3.3
193.04973	0.4
201.03923	0.5
201.16388	1.3
211.06004	0.8
213.03943	8.4
215.17964	0.4
217.03806	0.4
223.06079	0.5
226.83539	0.4
229.07004	0.6
231.05009	34.9
241.19421	0.4
247.08107	0.5
248.07681	1.5
249.06067	16.3
253.07043	2.5
257.22647	21.2
258.23059	0.5
266.08694	1.3
271.08075	3.4
273.05963	0.7
285.22180	0.8
302.24524	0.4
303.23184	2.7
339.07617	0.5
357.08194	1.7
375.09280	1.5
393.10269	2.2
410.12921	0.5
411.11523	0.5
411.25470	0.5
428.13876	2.5
469.25974	0.5
487.26547	0.7
505.28055	3.0
533.27496	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	731.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01858	1.5
65.03936	0.7
67.05511	3.3
69.03436	1.1
69.07053	1.0
69.39737	1.5
69.40164	2.7
70.06583	0.8
74.50808	0.5
77.03913	1.3
79.05478	2.2
81.03404	1.4
81.07035	1.5
84.08125	0.6
85.02908	1.2
90.41999	0.5
91.05486	7.5
93.07050	7.3
94.04171	1.1
95.01352	0.5
95.04977	34.5
95.08607	1.0
97.02874	2.8
103.05485	6.1
105.03374	1.6
105.04536	1.5
105.07044	1.7
107.04964	1.3
107.08574	1.0
109.02891	1.3
109.06510	1.5
109.10144	0.9
117.03325	0.6
117.07005	0.7
119.04972	3.2
121.06513	100.0
122.03681	0.7
122.06812	0.9
123.00774	1.7
123.04434	13.6
127.03945	1.0
129.07053	0.6
131.04947	1.3
133.02861	1.6
134.22038	0.6
135.04413	1.7
137.06001	6.2
145.02863	1.6
147.04395	4.7
151.03912	63.1
152.04263	0.8
154.47409	0.6
161.05969	0.7
163.03963	1.4
165.05487	95.7
167.03395	1.1
167.07140	1.4
175.03938	3.7
177.05553	3.5
178.05972	0.9
179.08656	1.0
180.06570	1.1
181.05075	0.7
181.06511	0.6
182.07300	0.7
183.06552	2.2
189.09210	0.8
191.03505	1.1
193.04979	14.1
197.12964	0.8
207.06505	2.6
225.07561	20.7
241.21884	0.7
241.82426	0.6
253.08752	2.3
270.07870	0.7
271.09790	2.3
295.09119	0.6
313.10739	7.2
327.12164	3.2
335.51117	0.6
419.35229	0.7
425.12378	0.7
445.12790	2.9
463.13937	3.5
477.15717	1.8
487.13791	0.9
495.16586	8.7
505.14929	1.1
511.14240	6.1
551.25684	0.8
731.32642	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	731.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60128	0.5
69.03444	0.6
69.07108	0.7
69.66987	0.5
70.47408	0.5
71.05013	0.7
71.58797	0.7
74.99348	0.5
81.07066	1.9
82.38852	0.5
85.02898	0.7
88.77382	0.5
91.05531	0.7
93.07037	1.2
95.08628	1.5
97.02900	1.5
105.07054	0.8
107.08622	1.1
109.10167	0.7
110.64278	0.5
119.08618	0.6
121.06531	1.2
133.10123	0.7
137.05966	1.2
145.02933	0.6
151.07669	0.6
159.11752	0.7
177.05412	0.7
180.06621	0.7
203.05246	0.5
253.19025	0.7
389.32095	0.9
391.10193	0.5
401.34146	0.6
407.33771	0.6
419.35052	1.2
421.11151	1.2
423.23398	1.0
437.36475	1.9
451.12158	2.7
511.14282	21.3
545.06342	0.6
718.12836	0.6
731.32526	100.0
732.32715	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	731.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12129	5.6
55.05503	12.0
67.05522	26.2
69.03421	20.0
69.07053	13.7
71.04971	6.2
71.58619	6.1
72.08146	8.0
79.05493	14.3
81.03416	18.6
81.07066	35.6
83.04990	6.3
85.02903	14.2
91.05467	21.6
93.07027	18.0
95.08617	40.7
97.02898	11.5
97.06518	16.4
105.07004	20.8
107.04919	6.5
107.08588	12.2
109.02872	7.2
109.06499	7.7
109.10191	11.0
115.05440	8.6
119.08556	19.3
121.10178	10.2
127.03912	16.4
129.07008	9.6
133.10138	15.8
135.08112	6.4
137.05988	74.7
139.07603	12.1
145.10075	8.1
151.07541	46.0
156.43489	6.5
160.05177	14.2
161.13231	24.5
174.06775	26.8
175.07556	63.6
179.14337	13.1
180.06625	7.5
187.07578	27.8
189.09132	71.2
201.09132	46.0
203.10730	8.6
205.08571	11.4
217.08604	5.4
219.10211	9.4
235.09435	6.8
284.10297	7.8
285.11243	16.0
287.16415	6.0
305.17532	19.9
306.12283	8.0
323.18637	54.0
337.14331	16.7
341.19589	15.1
355.15305	12.9
376.87012	5.7
437.36249	7.9
511.14020	13.3
535.28113	10.1
553.00128	6.3
555.25275	5.5
731.32458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01857	0.2
55.05512	1.2
55.52978	0.2
55.92178	0.2
57.03435	1.7
61.02645	0.3
61.02937	5.4
61.41842	0.2
65.03935	0.2
67.05170	0.4
67.05510	5.2
69.03440	2.7
69.07084	1.4
69.56657	1.2
69.57068	0.3
71.01363	0.5
71.04993	0.6
73.02922	4.0
74.70300	0.2
75.63821	0.2
79.05501	3.3
81.03419	1.4
81.07066	5.5
83.04999	0.3
83.08607	0.6
84.81628	0.2
85.02914	5.3
85.06566	0.3
87.04485	0.5
91.03960	3.6
91.05506	1.5
93.07053	4.2
95.04995	0.5
95.08608	3.0
97.02906	4.6
97.06522	0.4
97.10187	0.3
99.04471	0.9
101.02399	1.6
103.03957	0.3
105.07046	1.2
107.08613	2.1
109.02897	0.8
109.10171	1.5
111.08070	0.3
115.00234	0.2
115.03957	0.5
117.07027	0.5
119.08591	1.0
121.10166	1.6
123.11737	0.4
127.03914	1.3
131.08556	1.0
133.10147	0.8
135.11707	1.1
145.04971	0.4
145.10126	0.6
147.11707	0.3
149.13312	1.2
159.11719	0.6
161.13217	0.3
173.13249	0.3
175.14992	0.3
177.12727	0.3
185.04216	0.6
203.05338	0.3
214.84689	0.2
235.13016	1.3
243.08420	2.1
254.43399	0.2
269.17731	0.3
335.25970	0.6
453.21054	4.2
470.29742	0.2
519.29309	7.4
519.37128	0.4
520.30017	0.3
569.37939	0.2
731.43445	100.0
732.43750	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	731.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59687	0.2
61.02915	0.5
63.98759	0.2
67.05498	0.8
69.03412	0.3
69.07055	0.4
71.40314	0.4
73.02888	0.3
79.05497	0.7
81.07070	1.1
85.02911	0.7
87.10443	0.2
91.03957	0.4
91.05476	0.4
93.07040	0.7
95.08595	0.8
97.02910	0.5
109.10207	0.3
121.10157	0.3
134.98189	0.3
135.11629	0.3
149.13327	0.2
173.11942	0.2
183.26614	0.2
190.01109	0.2
235.13268	0.3
453.21051	0.7
505.27780	0.2
519.29602	0.6
535.28864	0.5
593.29346	26.0
594.29846	0.7
595.30920	10.8
619.46545	0.4
731.43420	100.0
732.43658	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	732.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
54.58465	0.7
55.01880	1.6
55.05506	2.5
56.96571	0.9
57.03415	0.8
64.77767	0.7
65.03940	7.4
67.05504	14.5
69.03432	13.8
69.07075	1.7
70.06581	1.1
71.05006	2.2
71.58877	1.5
72.08151	1.4
73.02939	0.9
79.05495	8.2
81.03419	11.5
81.07059	24.2
83.01353	2.0
83.04994	1.2
85.02914	3.2
86.09731	2.0
86.39886	0.7
89.03927	2.6
91.05481	12.5
93.03413	8.1
93.07035	8.3
95.04967	1.1
95.08609	1.0
97.02895	100.0
97.06537	1.5
98.97565	1.0
99.04445	6.3
103.05508	1.8
105.07034	4.1
107.04983	1.8
107.08596	29.2
109.02882	48.7
109.06495	1.7
109.10162	15.9
111.04449	2.0
111.08102	1.9
115.03922	1.7
115.05470	2.1
116.98738	0.8
117.03394	9.6
117.07039	5.0
119.08600	1.9
121.02921	2.4
121.06498	5.7
123.04429	1.0
125.02378	1.7
125.05990	3.4
125.09616	0.9
127.03922	36.7
127.38998	0.8
128.06233	1.8
129.06990	6.9
129.58197	0.9
131.05038	1.1
134.03609	0.8
135.08057	53.2
137.05986	13.1
137.09669	0.8
139.07582	1.2
141.07021	1.4
145.02853	35.9
145.04947	18.2
145.06171	1.1
145.10229	1.0
147.04482	1.0
149.02356	7.9
149.05984	4.8
151.03943	2.5
151.07556	6.5
153.09105	15.5
157.06491	7.9
160.05269	1.3
163.03903	1.4
163.07550	14.6
165.05482	0.9
167.03418	49.9
167.04832	3.0
169.06573	2.2
173.05946	1.0
174.06828	3.6
175.07556	8.6
177.05473	70.0
178.05814	1.3
180.06616	3.0
181.08604	24.2
185.05975	2.0
186.05576	1.4
187.07529	4.4
188.08408	2.2
189.09113	15.1
189.10716	1.1
199.07646	6.0
199.09639	45.5
201.09140	4.4
203.10753	1.5
207.06581	2.1
213.05547	1.1
217.08627	7.0
219.10228	1.4
220.06090	3.3
227.07051	6.0
231.10333	1.4
235.09637	1.5
245.08066	10.7
255.06422	0.9
262.07208	2.9
271.11752	5.3
273.07657	2.7
284.10394	1.0
285.11264	1.1
289.10886	1.7
291.08609	40.2
292.09311	1.0
305.11945	1.5
306.12659	1.2
307.11826	18.1
309.09604	6.9
325.12796	45.2
337.14297	7.2
339.16208	1.2
343.13977	3.9
355.15402	6.9
377.17300	1.5
446.22632	0.8
462.40115	0.9
509.12558	4.4
510.13007	5.4
511.14398	2.6
512.14697	3.2
536.26782	3.6
552.22754	2.9
732.32861	29.1
733.31830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.45
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05502	1.6
55.74577	0.5
56.91873	0.5
57.03428	1.9
61.02929	4.9
67.05508	5.0
68.37280	0.5
69.03431	2.9
69.07056	1.6
70.54192	0.5
71.05000	1.0
71.57362	0.7
71.57737	0.5
71.58553	0.5
73.02930	4.0
79.05497	3.3
81.03414	1.7
81.07066	6.1
83.08634	1.3
85.02909	4.9
91.03950	3.1
91.05487	1.5
93.07066	2.7
95.08620	7.3
97.02890	4.0
97.06533	0.5
101.02387	1.8
103.31983	0.5
105.07034	1.2
107.08588	1.9
109.02905	0.7
109.10158	2.9
117.07056	0.6
119.08551	1.3
121.06609	0.5
121.10141	0.8
125.09623	0.6
127.03902	1.0
131.08618	1.0
133.10089	0.7
135.11674	1.0
149.13321	0.7
161.13232	1.5
161.29607	0.5
184.07384	1.6
185.04289	0.6
226.07584	0.6
243.08522	1.8
293.17252	0.7
335.25888	0.6
455.22614	6.2
519.29364	6.2
537.41199	0.7
683.29596	0.6
733.44965	100.0
734.44855	3.2
764.32947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58980	1.6
53.03943	6.1
54.34864	1.3
55.01863	1.6
55.05515	14.0
57.03442	6.1
59.06129	7.2
64.14155	1.3
65.03957	1.5
67.05506	42.9
68.86887	1.4
69.07067	8.6
69.20125	2.0
69.20531	12.7
79.05495	44.8
81.03422	4.7
81.07060	39.2
83.04988	6.3
83.08628	4.8
91.05481	32.0
93.07047	45.9
95.04990	9.3
95.08607	27.1
97.06525	3.1
97.10194	4.1
98.21506	3.4
101.07160	6.8
102.07468	1.5
102.09157	1.7
103.08710	3.2
105.07040	22.2
107.04965	3.6
107.08595	16.4
109.06509	3.0
109.10143	10.7
111.08073	2.1
117.06995	6.8
119.08578	17.2
121.06529	1.4
121.10126	10.7
123.08073	2.6
123.11735	2.9
123.99607	1.5
129.07010	7.5
131.08554	3.5
133.10165	7.3
135.11703	6.2
143.08571	6.0
145.10114	6.9
147.11670	16.8
149.13220	3.0
161.09688	2.2
161.13223	6.8
171.11697	13.1
172.11961	1.5
189.12810	3.3
207.13803	10.1
261.22186	4.6
279.15833	2.3
281.17493	33.5
318.26810	1.4
335.25790	44.2
541.38928	100.0
542.38782	3.7
623.47791	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05025	0.9
58.06633	0.4
59.07416	0.2
60.08162	6.2
64.74747	0.1
67.05490	0.2
69.48678	0.2
69.90644	0.8
70.06594	0.3
71.07376	3.6
72.33256	0.1
79.05490	0.5
81.07048	0.4
86.09705	31.6
91.05489	0.4
93.07040	0.3
95.08590	0.2
97.10271	0.1
98.98463	2.8
104.10741	3.1
105.07005	0.2
109.10095	0.2
112.05067	0.2
121.06467	0.2
125.00004	22.4
127.52894	0.1
133.10118	0.2
134.53682	0.2
163.03961	0.2
167.40794	0.2
177.27217	0.2
184.07339	100.0
185.07697	0.6
195.75581	0.1
208.78716	0.2
319.54733	0.1
516.30615	0.2
657.17767	0.2
722.43884	9.3
723.43640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01865	1.6
55.05268	0.7
55.05512	10.6
55.07724	0.6
55.45131	0.6
57.03436	7.5
57.07061	1.3
61.02909	0.9
65.03925	1.9
67.05506	36.7
69.03411	1.3
69.06728	0.6
69.07073	10.7
71.04985	2.8
73.02914	1.0
74.07034	0.5
79.05495	28.8
81.03413	0.8
81.07058	36.2
83.04958	2.6
83.08624	7.6
85.02900	1.4
85.06551	1.1
86.09700	2.3
91.05479	13.0
93.07046	41.7
95.04967	5.3
95.08607	41.2
95.09070	0.5
95.09244	0.8
97.02908	3.1
97.06539	3.1
97.07079	0.7
97.10176	0.8
99.04443	2.7
105.07030	9.5
107.04950	5.6
107.08598	26.0
109.06541	1.6
109.10162	10.0
111.04464	0.7
111.08084	1.2
117.07029	6.8
119.08587	12.3
121.06515	4.4
121.10156	15.1
123.08054	0.7
123.11686	2.3
125.00034	0.9
125.05989	2.5
125.09631	1.0
130.07744	1.2
131.08578	3.6
133.10136	4.3
135.08057	1.8
135.11690	34.4
137.13179	0.6
139.07570	1.1
145.10120	21.0
147.11671	3.2
149.13306	3.0
159.11679	1.9
161.13280	1.4
163.11180	42.0
163.14787	1.3
170.54114	0.6
173.13237	1.8
181.12242	6.7
184.07362	7.0
198.41386	0.6
209.11760	1.1
227.12787	45.9
243.21078	2.2
261.22159	5.3
264.92694	0.6
283.15402	47.5
284.15802	0.8
299.13104	0.7
317.24844	1.6
335.25800	100.0
336.26224	1.9
529.93573	0.7
543.36816	77.4
544.36890	3.1
740.43359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01884	0.7
65.03937	1.3
66.04708	0.5
69.03434	2.2
70.06601	0.4
71.04987	0.5
71.58220	0.3
71.58628	0.3
77.03922	0.8
78.04707	0.3
79.05480	0.9
81.03413	5.4
81.07056	0.7
84.04530	0.3
85.02909	1.6
89.03915	0.7
91.05485	18.1
92.05801	0.4
93.07036	0.7
93.88045	0.3
94.04222	0.4
95.01299	0.3
95.04964	0.7
95.08640	0.4
97.02899	1.5
99.04475	0.3
103.05466	1.1
105.03368	0.6
107.04964	0.9
107.08531	0.5
108.05736	0.3
109.02882	1.9
109.06503	0.6
117.03371	0.5
118.04132	0.5
119.04950	27.6
120.72901	0.3
121.06498	2.4
122.03637	1.0
123.04402	0.3
127.03874	0.7
129.03343	0.5
129.04602	0.3
131.04927	0.7
132.02074	1.1
135.04440	0.8
136.05177	1.0
137.05988	10.9
138.06306	1.1
145.02866	1.5
147.04414	24.7
149.02347	0.5
151.03929	3.3
151.07558	8.0
152.07951	0.3
157.03995	3.2
158.07187	0.6
161.05972	0.3
163.07547	0.5
164.04684	1.3
165.04163	0.5
165.05475	7.1
166.79181	0.3
167.07054	8.0
174.06792	0.5
175.03914	47.3
175.07452	1.2
176.04327	0.7
177.05498	2.5
179.07037	4.1
180.06494	0.4
181.04959	0.6
187.07555	0.9
189.09087	1.1
192.04193	0.7
201.09062	0.7
203.07300	0.3
203.10406	0.4
207.06534	100.0
208.06842	1.8
209.08160	1.6
210.05260	0.3
217.08681	0.5
219.10204	0.4
225.07475	0.5
279.10019	0.5
285.11395	0.6
293.11768	0.4
297.11154	0.4
306.12405	0.5
307.09354	0.3
320.10580	0.4
321.11292	0.5
325.14182	0.7
335.12732	1.4
337.14474	1.6
339.15961	0.5
341.14014	0.4
351.10727	5.8
353.13913	3.0
355.15210	0.9
369.11813	6.7
371.14911	4.2
394.10596	0.5
741.26959	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	741.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95714	0.6
53.03954	2.1
55.04166	0.6
55.05514	1.7
62.71177	0.6
67.05505	2.0
70.06580	5.7
71.05019	0.9
71.17931	1.3
72.08153	1.9
77.33658	0.7
77.91240	0.6
79.05494	1.3
81.03383	0.8
81.16644	0.7
84.08154	3.2
85.02901	1.1
91.05487	9.0
93.07045	9.8
95.04980	2.3
95.08619	0.8
96.04472	0.9
102.68983	0.7
103.05476	8.2
105.07071	1.5
106.06563	0.8
106.86002	0.8
107.04957	0.9
112.11253	1.3
117.05754	1.0
120.05722	7.0
120.08135	1.6
121.06512	57.2
124.07603	0.9
132.08124	1.1
134.06067	2.1
135.04369	0.8
135.08084	0.7
136.07608	1.4
146.06038	1.2
146.09676	1.3
147.10443	1.4
148.07579	0.8
148.11244	1.3
150.09154	1.6
151.07556	6.1
158.09714	1.3
160.07573	1.4
160.11247	5.1
161.12022	6.4
162.09167	1.1
163.03943	2.5
164.07129	2.7
165.07880	2.3
166.08704	3.7
172.11229	1.8
174.12794	6.0
175.13593	1.3
176.07095	0.8
178.08626	6.8
179.09389	1.5
180.10260	1.9
186.09174	0.6
188.10744	2.2
190.08636	3.1
191.09457	1.4
192.10202	15.9
193.11053	1.5
196.47243	0.6
198.09122	1.6
202.08626	0.8
202.12300	1.3
204.10255	3.3
205.11069	2.0
206.11781	10.5
216.10204	1.7
218.11772	11.0
219.12555	3.2
220.13330	32.2
221.13776	1.0
224.00099	0.6
228.10078	0.9
230.11833	2.1
232.09718	1.0
232.13338	7.3
233.14067	0.8
234.11383	0.8
234.14929	1.8
236.43205	0.8
242.11800	1.0
244.09676	0.8
246.11250	2.2
248.12929	2.4
258.11194	1.0
260.12744	1.0
262.14410	1.0
276.12448	1.0
278.14020	0.9
279.11450	1.4
280.15369	1.5
311.13953	1.4
318.13391	1.1
323.17487	1.0
326.17719	1.1
329.14951	2.3
339.20724	4.6
340.18982	1.5
340.95215	0.8
343.16638	1.1
355.16510	0.9
365.18533	4.3
367.16812	1.2
368.18854	1.3
369.18393	1.0
381.18481	0.9
383.19684	19.8
384.18631	1.2
391.16876	1.3
395.16058	4.4
396.17929	3.5
397.21280	2.8
398.19852	2.2
400.21204	14.6
409.17636	3.9
423.19141	3.5
424.17783	0.9
428.36630	0.8
441.20187	2.1
465.20657	1.1
491.54077	0.7
491.62399	0.7
503.25397	5.6
533.23059	2.8
547.24536	6.0
561.25873	7.3
562.26819	1.0
576.25787	3.0
603.26776	5.8
635.25854	0.8
692.13605	0.7
741.33630	100.0
742.33630	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	742.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01871	1.1
55.05511	2.4
57.03442	0.6
57.07080	1.3
59.05003	1.0
62.71990	0.5
63.02398	0.8
63.69214	0.6
65.03932	5.4
67.05507	6.9
69.03434	1.5
69.07069	3.9
70.06595	2.1
71.04994	10.3
71.58939	0.7
73.06564	1.5
77.03959	0.7
79.05493	3.6
81.03426	1.1
81.07058	12.0
81.07523	0.9
83.04984	1.5
83.08625	2.2
83.79207	0.6
84.04486	0.6
84.08138	0.8
85.02910	1.8
85.06545	2.3
86.09722	1.1
88.80343	0.5
89.03918	3.4
89.04456	0.5
91.05490	8.6
93.03410	7.4
93.07053	9.6
95.04973	1.3
95.08611	12.6
97.02895	89.8
97.06535	2.1
97.10186	1.3
98.03271	0.5
99.08086	1.4
103.05489	2.0
105.07036	15.0
107.04965	0.8
107.08601	11.1
109.06544	0.7
109.10165	5.8
111.04459	0.8
111.08089	0.6
115.05495	0.8
117.03381	11.7
117.07008	1.4
119.04903	2.6
119.08584	5.7
120.08094	0.8
121.02899	3.5
121.06524	2.8
121.10155	6.6
122.03567	0.6
123.04424	1.2
123.11726	2.4
124.05270	0.8
125.02371	1.3
125.06015	1.8
125.09640	10.4
127.07563	0.8
127.11186	2.0
128.06200	1.0
129.07002	5.4
131.04868	1.1
131.08591	2.4
133.06432	0.6
133.10135	21.1
135.04459	1.3
135.11687	2.0
137.05998	6.1
138.06323	1.0
139.03879	0.9
139.11171	0.6
141.07019	1.9
143.08501	0.6
143.10684	19.9
145.02853	42.4
145.10143	4.3
146.03230	0.6
147.04414	2.7
147.11700	7.4
149.02351	9.3
149.05974	3.4
149.13268	9.9
151.03917	2.5
151.07523	0.7
151.11230	1.4
157.06502	6.7
159.11700	2.9
161.05988	0.6
161.13249	2.3
163.03925	2.4
163.07582	0.9
165.05521	2.3
165.12843	0.7
167.03415	73.6
167.07083	3.0
167.14331	22.6
167.15773	0.9
168.03783	0.7
168.07312	0.7
169.06529	2.8
169.12158	0.6
173.13275	1.1
174.06818	0.6
175.03975	2.9
175.07561	1.2
176.04218	1.3
177.05473	100.0
178.05856	0.9
179.07129	0.8
180.06522	1.3
181.04980	1.0
185.05969	2.2
186.05443	1.0
187.07558	1.7
188.08307	1.2
189.05472	1.8
189.09117	9.2
191.18004	1.0
197.06256	0.7
199.07567	6.5
201.16386	4.4
203.17937	0.6
207.06548	7.7
208.06868	2.1
213.05507	1.4
215.07065	1.6
217.08600	6.9
217.33514	0.6
219.17450	13.7
227.07050	6.6
237.18532	3.1
245.08104	11.7
245.10034	0.3
246.24405	0.6
255.06458	1.0
265.08640	0.6
268.07315	0.7
271.06152	0.6
273.07617	3.9
283.09558	0.7
287.05505	1.3
291.08636	53.2
292.08871	0.9
297.11285	0.6
309.09689	17.5
312.86673	0.5
325.10666	0.5
330.39490	0.6
336.13632	0.7
339.10703	1.8
347.15497	0.6
354.14508	0.7
371.15005	0.7
417.15408	1.0
445.13617	0.5
451.19296	0.6
453.13824	0.7
471.15146	0.7
532.78381	0.5
554.06342	0.5
562.23688	0.8
742.25275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05515	4.1
55.09019	0.6
57.03439	0.8
57.07082	0.7
59.05030	0.6
65.03935	6.0
67.05512	5.2
69.03435	2.5
69.07093	3.0
70.06601	2.3
71.04996	8.1
71.58759	0.9
73.06558	1.2
75.37480	0.6
79.05501	8.2
81.03429	0.9
81.07060	15.3
83.04998	1.8
83.08600	0.8
84.08156	0.9
85.02915	1.7
85.06556	2.1
86.09708	1.1
89.03929	3.3
91.05487	14.9
93.03417	8.3
93.07047	9.5
95.04974	2.0
95.08615	6.5
97.02898	84.5
97.06530	2.3
97.10171	2.8
99.08088	5.7
103.05471	13.5
104.66363	0.7
105.07040	24.5
107.04961	6.1
107.08601	10.4
109.02914	1.3
109.06530	2.3
109.10180	4.6
110.03662	0.9
111.04475	1.6
115.05453	1.6
116.07043	0.6
117.03381	11.1
117.07029	1.8
119.04962	3.3
119.08587	9.4
120.08112	1.9
121.02864	2.5
121.06519	2.7
121.10148	5.5
123.04442	0.7
123.08054	0.9
123.11722	2.4
124.05197	1.0
125.02348	1.2
125.06014	1.6
125.09637	17.1
127.07564	2.4
127.11198	2.0
128.06165	1.5
129.07014	6.8
131.04933	6.5
131.08578	2.6
133.10139	31.0
134.03621	0.9
135.04445	0.7
135.11703	2.6
136.07550	0.6
137.05984	14.7
138.05515	2.2
139.03827	0.6
139.05562	0.8
141.07010	1.5
143.10683	32.6
145.02856	40.6
145.10147	6.3
146.03276	0.9
147.04376	1.4
147.11693	8.4
149.02348	8.7
149.05972	4.8
149.13300	3.7
150.05527	1.6
151.03906	2.6
151.07584	1.1
151.11177	1.9
157.06479	7.5
159.11705	5.0
161.13310	3.1
162.05464	3.0
163.03925	1.5
163.07462	0.8
163.11282	1.0
164.07062	5.8
166.05026	11.4
167.03415	69.7
167.04771	2.9
167.07069	2.1
167.14330	8.0
169.06509	2.3
169.12317	1.8
173.13243	0.8
174.06715	1.1
175.07501	0.9
175.14842	0.7
177.05478	100.0
177.16312	0.6
178.05954	1.4
180.06544	6.2
184.05162	0.7
185.06007	2.1
186.05566	1.3
187.07555	1.4
188.08328	1.2
189.09108	8.7
195.04424	0.7
195.06490	0.6
199.07619	6.0
201.16382	4.9
207.06548	2.6
208.06049	9.9
213.05510	0.8
215.07076	1.5
217.08604	6.9
219.17438	15.8
227.07001	6.7
237.18488	3.7
242.08145	2.6
245.08101	12.3
250.07014	0.9
255.06622	1.1
263.09177	0.7
268.07370	1.0
270.07706	0.7
271.05972	1.3
273.07587	4.6
277.73898	0.8
279.05099	0.6
283.09689	0.9
288.08737	3.3
291.08646	58.3
292.08862	1.4
298.10828	4.8
309.09695	17.6
310.10028	0.8
312.12296	11.4
339.10910	0.8
393.71429	0.7
417.38797	0.8
472.12357	1.0
486.13730	1.5
532.14490	6.4
535.69073	0.7
546.16162	16.4
547.16339	0.9
562.24268	1.2
574.15613	10.2
668.19403	2.2
710.20465	0.8
722.36938	0.7
743.25616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.4
53.03938	0.9
55.01869	0.6
55.05508	1.8
57.03428	0.4
57.07084	0.7
59.05009	0.8
65.03944	5.2
67.05508	4.7
69.03416	1.3
69.07081	3.5
70.06589	1.6
71.04992	9.5
71.58339	0.5
73.06564	1.4
79.05504	3.7
81.03446	1.0
81.07063	10.9
83.04977	1.6
83.08623	1.5
84.08176	0.5
85.02901	1.6
85.06570	1.0
86.09702	0.6
89.03925	2.5
91.05482	6.4
92.05761	0.5
93.03410	6.2
93.07048	9.2
95.04967	1.9
95.08611	12.2
97.02896	77.6
97.06538	1.7
97.10141	1.0
98.03246	0.4
99.08086	1.7
103.05454	1.5
105.03382	0.4
105.07036	12.8
107.04969	0.8
107.08595	9.7
109.06532	0.7
109.10159	7.7
110.03651	1.0
111.04449	0.9
111.08100	0.7
115.05443	0.7
117.03381	9.1
117.07006	1.2
119.04936	2.5
119.08588	4.6
120.05323	0.5
121.02895	2.2
121.06510	2.2
121.10152	5.9
123.04416	0.7
123.11720	2.7
124.05182	1.0
125.02335	0.6
125.06000	1.5
125.09650	10.9
127.07593	1.0
127.11184	2.4
128.06201	1.0
129.07004	4.8
129.41858	0.5
131.04935	1.0
131.08572	2.6
133.06566	0.4
133.09103	1.0
133.10136	19.3
134.03662	0.6
135.04428	1.2
135.08078	0.7
135.11736	1.1
137.05980	5.2
137.09612	0.5
139.03931	0.7
139.11180	0.4
141.06979	1.6
143.10683	20.2
143.11812	1.0
145.02852	38.0
145.10133	3.9
147.04408	2.1
147.11687	5.8
149.02359	8.6
149.06003	4.5
149.13263	9.4
151.03911	2.4
151.07570	1.1
151.11209	0.9
153.05551	0.4
157.06491	6.1
158.10991	0.4
159.11678	2.9
161.05960	0.6
161.13297	2.2
163.03889	2.4
163.07497	0.8
163.11186	0.8
164.04607	0.4
165.05470	2.2
166.05844	0.6
167.03413	69.3
167.07080	2.5
167.14319	24.3
168.03741	0.8
169.06491	2.2
169.12274	1.0
171.07980	0.5
173.06032	0.5
173.13318	0.6
174.06735	1.0
175.03929	3.1
175.07553	1.1
175.14845	0.5
176.04236	0.8
177.05479	100.0
177.16266	0.7
178.05850	1.3
179.14307	0.5
180.06584	1.3
181.04987	1.1
181.60313	0.4
184.05170	0.6
185.05930	2.0
186.05505	1.1
187.07596	1.1
188.08279	1.3
189.05457	1.6
189.09094	8.0
191.07147	0.6
191.17966	0.8
195.04453	0.8
195.06473	0.7
197.05966	0.6
199.07536	6.2
200.04755	0.5
201.05533	0.5
201.08989	0.8
201.16447	4.6
203.07198	0.4
203.18005	0.7
207.06523	7.7
208.06888	2.3
213.05534	1.2
215.07045	1.0
217.08606	6.7
219.17456	15.4
222.07576	0.5
227.07047	6.3
229.08606	0.6
231.06633	0.5
237.18524	3.4
245.08118	11.9
246.24266	1.3
268.07416	0.5
273.07547	4.3
283.09705	0.7
291.08643	57.0
292.08911	0.8
302.54111	0.4
309.09683	17.5
331.16391	0.5
337.10812	0.5
339.10822	1.2
369.11783	0.6
419.18048	0.5
453.14011	0.8
471.14594	0.9
507.16116	0.6
527.26917	0.6
530.19031	0.5
562.23730	1.2
742.29327	0.7
743.25659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.01867	3.4
55.05516	22.3
57.03442	16.7
57.07085	6.6
61.02925	3.3
65.03941	4.5
67.05510	80.7
69.03432	2.6
69.06717	2.3
69.07071	30.5
71.05001	6.4
71.57324	1.2
72.00759	1.3
79.05499	70.3
81.03423	4.4
81.07063	93.2
83.04997	7.9
83.08627	20.3
85.02914	3.6
85.06546	5.6
86.09721	1.9
91.05487	68.3
93.07052	90.8
94.07349	1.5
95.04446	1.2
95.04967	8.3
95.08614	42.0
97.02891	1.4
97.06554	12.8
97.10161	5.3
99.08087	4.2
103.05481	1.8
105.04521	2.1
105.07041	62.2
107.04952	1.5
107.08607	57.8
108.85902	1.3
109.06511	4.9
109.10164	13.4
111.08119	7.5
113.06039	1.5
113.09672	2.1
115.05422	2.2
117.07028	24.1
119.08590	55.5
121.06518	3.7
121.10143	38.0
123.08048	3.5
123.11718	3.9
123.70294	1.3
128.06285	2.2
129.07014	11.1
130.07863	1.7
131.08571	30.7
133.10141	50.8
135.08084	3.0
135.11707	24.3
142.07773	2.3
143.08565	11.1
145.10132	18.7
147.11696	43.9
149.09666	2.6
149.13264	40.1
151.11211	1.9
155.08505	1.8
157.10138	10.2
159.11720	30.4
161.09599	1.6
161.13257	28.3
163.11151	3.9
163.14835	3.3
165.12787	3.0
169.10091	2.2
171.11710	12.8
173.13278	11.2
175.14842	14.8
177.12801	7.6
183.11707	2.0
184.07469	6.7
185.13293	10.9
187.14822	4.9
189.16283	1.6
195.12064	2.1
195.13823	12.1
199.14845	7.4
213.16481	2.0
215.18047	1.8
217.19600	1.3
231.21062	7.2
232.15990	1.3
241.19539	37.8
259.20599	93.5
260.20996	1.5
261.22076	2.4
264.15680	1.4
267.15973	13.4
269.17493	100.0
270.17804	1.7
275.19977	1.5
287.20123	1.3
297.22025	2.1
315.23355	6.4
333.24261	65.5
335.25552	1.5
360.57584	1.4
417.31757	2.5
435.32571	5.5
453.33920	4.6
471.34851	4.1
509.36105	3.1
517.38849	4.3
527.37384	89.2
528.37451	2.5
545.38361	23.5
598.37048	1.4
635.39093	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79448	0.2
53.03949	0.9
54.10944	0.3
55.01871	0.3
55.05520	1.1
57.03442	1.4
57.75455	0.3
61.02636	0.4
61.02930	4.8
64.36304	0.3
65.22916	0.2
67.05506	4.8
69.03429	2.8
69.07071	1.2
71.01349	0.3
71.04996	0.5
73.02921	3.5
76.74506	0.3
79.05505	3.6
81.03431	2.2
81.07063	4.6
83.04984	0.7
83.08624	0.7
85.02913	4.8
91.03964	3.3
91.05487	2.4
91.10372	0.2
93.07051	4.1
95.04990	0.8
95.08618	3.6
97.02905	4.7
97.06537	0.5
99.04477	0.9
101.02386	1.5
103.03958	0.3
105.04501	0.3
105.07047	2.1
107.05013	0.2
107.08588	1.9
109.02917	0.8
109.06598	0.3
109.10175	1.0
115.03941	0.3
117.07044	0.7
119.08586	1.5
121.06547	0.4
121.10158	1.4
123.08086	0.3
123.11759	0.4
127.03939	1.5
129.07028	0.5
131.08592	0.8
133.10156	1.0
135.11725	0.8
137.13312	0.3
145.10167	0.8
147.11745	0.9
151.11314	0.3
159.11797	0.3
161.13289	0.6
171.11726	0.7
184.07472	0.4
185.04192	0.7
203.05339	0.4
208.76738	0.2
243.08487	1.5
247.13019	1.6
258.19620	0.2
263.06882	0.2
266.13882	0.3
268.56705	0.2
303.15771	0.4
335.25995	0.7
387.06885	0.2
465.20895	3.9
519.29297	7.2
628.25958	0.2
743.43433	100.0
744.43646	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	744.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
54.03468	0.5
57.03433	0.8
64.86659	0.2
69.03440	1.1
69.04515	0.3
69.90818	0.4
69.91198	0.4
71.01337	0.2
71.04996	3.5
79.05502	0.2
81.03438	0.8
81.04543	18.1
82.05326	0.3
83.04964	0.2
85.02909	4.3
87.04518	0.2
89.03906	1.4
91.05479	0.4
94.04068	0.5
97.02898	4.0
98.20797	0.3
99.04451	0.3
103.05492	0.2
107.04955	0.5
117.03372	2.1
121.06506	0.3
127.03920	0.5
129.05501	0.7
133.05255	0.3
133.06377	0.4
135.04420	3.9
135.06783	0.2
137.05984	0.2
145.02850	3.8
145.07658	0.4
146.06041	0.4
149.05896	0.3
155.05997	0.2
158.07140	0.3
159.09212	0.4
160.07561	0.2
161.04742	0.5
163.03912	35.0
164.04242	0.3
164.06998	0.2
169.07585	1.2
170.05896	0.2
170.07172	0.3
171.07930	0.5
171.09235	0.3
172.08713	2.0
174.05516	1.1
175.06258	0.7
176.07060	2.5
181.04977	0.9
181.08656	0.2
183.07953	0.3
184.08760	0.6
185.05801	0.3
185.09500	0.4
186.06708	0.5
186.10281	1.3
188.07069	0.6
194.08171	5.9
196.08730	2.0
197.07170	0.6
197.09460	0.3
198.06645	0.3
198.10301	0.7
199.07442	0.6
200.08220	2.3
200.11929	0.2
206.08138	4.8
210.66823	0.2
211.07193	0.2
212.08228	2.3
213.08978	2.2
214.05919	0.4
214.07602	0.5
214.09726	4.8
224.05998	0.3
224.08200	4.4
225.08984	2.5
226.06120	10.3
226.09740	0.7
227.06644	0.4
227.10472	0.9
228.07727	1.4
228.11270	1.0
229.08284	3.7
229.11667	0.2
230.12901	0.4
232.10825	0.5
237.41570	0.2
238.09761	0.5
239.08211	0.4
240.07677	3.7
241.08469	19.4
242.09251	8.2
243.09991	0.8
244.07175	0.5
244.10779	1.7
247.10832	0.7
256.10815	32.6
257.11179	0.5
258.08804	0.2
273.10934	0.2
274.11862	100.0
275.12103	1.6
298.11990	0.3
307.08115	0.3
316.12872	0.6
325.09216	6.9
420.17603	1.8
436.17197	1.7
598.20361	15.9
599.20435	0.4
744.25745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
53.51007	0.4
55.01835	0.4
55.05508	1.1
65.03940	5.7
67.05509	4.5
69.03418	1.2
69.07063	1.8
70.06591	1.6
71.04993	2.2
71.58760	0.6
72.08145	0.5
74.40137	0.4
77.93288	0.4
79.05490	3.4
81.07061	12.1
82.33519	0.4
83.04965	0.6
83.08648	0.5
85.02930	0.8
86.09698	1.1
89.03911	3.5
91.05482	3.6
93.03413	7.4
93.07043	6.6
95.04993	0.8
95.08624	2.9
97.02895	100.0
98.03230	0.6
99.08060	0.6
103.05454	1.2
104.80788	0.4
105.07036	7.9
107.08599	7.8
109.06563	0.7
109.10152	4.7
110.03664	0.6
110.83514	0.4
111.04444	1.3
115.05437	0.9
117.03388	10.7
117.07021	0.8
119.04973	1.8
119.08585	12.4
121.02889	3.2
121.06506	1.3
121.10165	1.3
122.03675	0.4
123.04461	0.7
123.11712	1.4
124.05193	1.0
125.02377	1.2
125.05978	1.7
127.11199	3.1
128.06244	0.9
129.07004	6.8
131.04929	1.6
131.08580	0.5
133.10147	4.0
134.03574	0.4
135.04448	0.8
135.08101	0.4
135.11700	8.8
137.05992	3.8
138.06314	0.7
139.03909	1.0
139.05396	0.6
141.07011	1.6
143.10701	1.0
145.02853	46.3
145.06487	0.9
145.10112	0.6
146.03221	0.9
147.04440	1.7
147.11694	2.9
149.02347	10.4
149.05995	4.2
149.13248	0.8
151.03906	3.5
153.05467	2.1
153.12785	1.1
157.06482	8.4
159.08150	0.4
159.11708	0.5
160.05206	0.5
161.06000	1.1
161.13239	1.3
163.03963	1.0
163.07532	1.3
165.05513	0.7
167.03413	68.0
167.04758	2.8
167.07079	2.3
168.03671	0.5
169.06512	3.2
173.05983	0.6
174.06839	1.1
175.03925	0.9
175.07527	1.1
175.14928	0.5
177.05478	99.2
177.80853	0.4
178.05833	1.5
180.06473	1.9
181.04884	0.4
184.05179	0.5
185.05980	2.9
186.05489	1.0
187.07555	1.6
188.08308	2.0
189.05464	2.3
189.07411	0.5
189.09114	9.0
189.10748	0.7
191.07088	0.7
191.12421	0.4
195.04379	1.1
195.06459	1.0
199.07562	6.0
200.04660	0.5
201.05464	0.5
201.09195	0.5
203.06973	0.4
203.17917	5.2
207.06496	4.7
212.04713	0.6
213.05470	1.7
214.06140	0.5
215.07025	1.3
217.08627	8.3
221.19003	5.0
227.07042	7.3
229.08623	0.6
245.08099	12.6
249.09291	0.5
255.06351	0.6
265.08844	0.4
271.05978	0.6
273.07584	3.4
277.08554	0.7
291.08630	51.1
292.09067	0.7
307.09573	0.6
309.09668	13.0
311.09964	0.5
326.02429	0.4
326.10696	0.4
327.12375	0.5
339.12433	2.2
341.13879	0.7
351.12289	0.6
357.13763	0.4
365.33392	0.4
405.16605	0.6
471.14761	0.5
511.27563	0.5
548.22217	2.4
564.23035	0.4
613.71484	0.4
670.26440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31363	2.7
53.03953	7.1
55.05514	24.8
55.77311	2.8
57.03443	15.7
57.07074	8.7
62.32001	2.5
67.05506	30.1
69.03432	17.7
69.07074	23.5
70.11242	2.6
71.01357	2.9
71.05003	74.4
71.08628	3.3
75.04450	2.9
79.05506	17.1
79.05891	3.0
81.03428	27.1
81.07063	30.8
83.04982	15.1
83.08621	16.9
85.02915	100.0
85.10176	3.2
87.04476	5.3
91.05489	12.2
93.07053	20.4
95.04974	9.0
95.08614	32.2
97.02893	12.5
97.10174	12.9
98.20769	5.9
99.04453	6.8
103.03925	3.2
105.07069	13.8
107.08587	9.7
109.02894	13.2
109.10165	12.1
111.04476	17.2
111.11681	4.1
117.07005	6.1
119.08588	6.3
121.06516	4.4
121.10160	15.8
123.04449	7.1
123.08086	3.0
123.11678	6.5
125.09604	3.8
127.03922	10.9
129.05479	18.7
131.08571	6.4
133.06517	3.7
133.10114	7.9
135.11688	12.6
137.05981	13.1
147.04489	3.7
147.06526	4.6
147.11664	3.9
149.06050	5.6
149.13249	6.2
151.07558	4.8
161.06035	5.1
161.13310	2.5
164.09311	3.3
165.05458	14.1
175.07379	3.4
179.07133	9.0
185.06049	2.9
203.07039	5.6
217.08611	5.1
221.08055	8.1
237.07590	8.4
245.08107	19.8
246.51636	3.1
247.09641	3.7
247.24156	6.6
255.08533	3.9
263.09125	21.2
265.25272	13.9
305.24792	5.8
307.26212	5.6
323.25858	7.9
331.26324	6.9
337.27206	3.6
345.27930	4.3
349.27396	6.7
355.26370	6.6
367.28415	7.6
373.27271	22.3
391.28503	46.8
409.29550	29.2
414.09213	3.4
427.30643	9.9
432.65060	2.9
434.49026	2.9
504.73682	3.4
519.33374	4.0
537.34198	7.9
545.34692	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	744.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.2
53.57429	0.2
55.05499	0.7
56.05027	0.6
57.03431	0.5
58.06620	0.4
58.74049	0.2
60.08165	5.8
67.05508	2.5
69.03429	0.2
69.07047	0.5
71.05006	0.4
71.07027	0.3
71.07377	3.4
71.57922	0.3
79.05498	1.3
81.07060	3.1
83.04980	0.5
83.08612	0.5
85.06557	0.5
86.09706	30.0
89.67429	0.2
91.05474	1.1
93.07055	2.0
95.04950	0.3
95.08601	1.4
97.06544	0.2
98.98472	3.0
104.10746	2.2
105.07028	0.6
107.08599	1.0
108.15623	0.2
109.10146	0.5
110.66387	0.1
117.07039	0.4
117.88049	0.2
119.08569	0.2
121.10136	0.6
123.11720	0.4
125.00006	21.2
131.08566	0.4
133.10147	0.7
135.11664	0.4
140.03407	0.3
145.10164	0.2
149.13286	0.5
151.11118	0.3
159.11775	0.3
166.05017	1.0
169.12247	0.2
177.12892	0.2
184.07341	100.0
185.07700	0.5
187.13258	0.2
217.26009	0.2
243.15880	0.5
261.22147	0.2
264.02716	0.4
269.17447	0.9
287.18600	1.1
335.25818	1.8
384.08517	1.1
396.09052	0.2
484.27002	0.2
503.37341	2.8
528.17987	0.2
529.39032	0.4
547.39990	1.4
564.18707	0.2
616.07605	0.2
666.76776	0.2
712.45496	0.6
744.48108	5.5
745.48779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91739	0.9
65.03944	1.3
66.38214	1.0
71.10699	2.5
79.05486	1.6
81.03405	3.0
91.05470	3.8
93.03394	1.0
94.04179	2.2
103.05455	3.6
103.15210	1.1
107.04939	4.1
109.06489	1.6
115.05462	9.0
117.07024	1.6
118.53235	1.1
121.06498	4.0
122.03646	6.0
124.05188	1.5
125.05986	1.5
128.06235	2.9
129.07002	7.2
131.04884	3.3
135.04451	1.3
136.05215	6.0
137.05988	90.1
138.06310	1.5
139.07532	3.5
143.04948	9.8
144.05649	3.0
145.06491	3.1
146.03665	1.4
146.07225	2.4
147.08037	1.3
149.05910	1.4
151.03940	1.2
151.07553	49.0
153.05516	1.9
157.06525	9.0
158.07300	8.3
159.04439	4.3
159.08090	2.1
160.05206	16.8
161.05965	4.1
162.06691	1.3
163.07559	3.1
165.05479	2.5
167.07045	3.2
172.05196	3.3
172.08813	5.2
173.05966	3.3
174.06783	42.6
175.07553	96.5
176.08049	1.3
177.05403	1.8
177.09097	4.5
179.07050	2.7
186.06760	4.2
187.05853	1.9
187.07562	32.3
188.08322	6.2
189.09117	100.0
193.08629	2.0
201.09119	44.7
202.07730	1.8
203.10696	9.6
205.08601	16.5
217.08559	2.7
219.08136	2.4
219.10164	17.2
225.09024	2.1
227.06996	1.5
231.08086	2.3
231.10136	12.7
235.09618	10.6
239.07011	2.1
241.08559	3.0
245.09608	1.8
246.10373	1.6
247.07463	2.2
249.11238	9.4
254.09421	4.7
261.09082	2.1
262.09845	2.1
263.10696	1.7
269.08047	5.4
270.08716	2.5
274.09851	3.9
275.10507	2.0
276.07819	1.8
277.12238	3.8
278.09525	1.2
279.10129	3.0
284.10406	12.3
285.11240	15.0
290.09393	3.8
291.10190	6.8
293.11655	2.5
295.09741	1.5
297.11331	3.3
305.11694	8.2
306.12482	7.6
307.09601	2.9
310.11847	2.8
322.11899	4.8
325.14209	4.9
337.14365	28.9
355.15460	15.9
482.94623	1.1
629.88538	1.1
634.09302	1.1
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
53.03944	0.5
55.01878	0.4
55.05507	1.6
57.03424	1.3
60.08171	2.1
61.02937	4.5
61.03225	0.7
66.41070	0.4
67.05512	6.2
69.03441	3.7
69.07068	1.3
71.01342	0.6
71.04993	0.6
71.07386	0.9
73.02925	3.6
79.05502	4.5
81.03419	1.6
81.07056	4.8
83.08625	0.9
85.02911	4.9
86.09714	8.3
87.10039	0.9
91.03960	3.5
91.05508	2.4
93.07051	5.2
95.04948	0.5
95.08620	4.2
97.02902	4.2
97.06497	0.7
98.98478	0.8
99.04445	0.7
101.02380	1.3
104.10781	0.9
105.07050	1.4
107.08612	2.4
109.02927	0.5
109.10167	2.1
110.04372	0.4
115.03951	0.6
117.07062	0.7
119.08569	1.1
121.06522	0.7
121.10155	2.2
125.00009	5.7
127.03925	1.0
131.08604	1.1
133.10115	0.9
135.11728	2.5
145.10159	1.6
149.13234	0.4
163.11240	2.2
181.12152	0.5
184.07361	27.1
185.04213	0.7
185.07719	3.7
219.09891	0.6
227.12796	1.5
229.17683	0.6
243.08443	2.4
249.11012	10.9
305.13803	0.6
335.25970	0.8
386.37714	0.4
467.18912	4.7
503.37619	0.5
504.37598	0.6
519.29327	7.9
530.39264	0.6
548.40417	0.7
745.41284	100.0
746.41656	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	747.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01859	0.2
55.05509	0.9
57.03446	1.4
57.07074	0.3
61.02930	3.6
67.05510	3.7
68.63110	0.2
68.85088	0.2
69.03442	2.1
69.07066	1.2
71.04980	0.6
73.02921	3.0
75.00207	0.2
79.05496	3.5
81.03428	1.3
81.07069	4.5
83.08622	1.1
85.02909	3.8
85.06568	0.3
87.04473	0.3
91.03963	2.7
91.05487	2.3
93.07053	5.5
95.04974	0.6
95.08607	2.2
97.02911	3.4
97.06561	0.8
97.10189	0.3
98.20752	0.4
99.04465	0.6
101.02381	1.2
102.56045	0.2
105.07042	2.1
107.08601	2.7
109.02903	0.7
109.06496	0.3
109.10165	0.6
111.08126	0.2
115.03899	0.3
117.07044	0.9
119.08579	1.4
121.06523	0.4
121.10146	1.6
123.11699	0.4
127.03943	1.2
129.05511	0.6
131.08592	1.0
133.10124	1.6
135.11720	1.2
142.11400	0.2
143.08580	0.5
145.10153	0.4
147.11710	0.8
149.13258	1.7
159.11694	1.2
171.11740	0.2
173.13252	0.2
177.12825	0.4
184.07401	1.0
185.04269	1.0
185.13339	0.3
195.13795	0.3
201.03775	0.4
203.05362	0.4
234.64909	0.3
235.13062	1.6
243.08444	2.5
259.20697	0.3
269.17374	0.5
291.15640	0.3
301.09000	1.3
315.10553	0.6
317.20859	0.4
327.10568	0.3
333.16830	0.4
371.16940	0.4
371.70642	0.3
373.10913	0.4
383.16977	0.4
385.18185	0.3
437.21082	0.3
443.18945	0.5
453.21002	8.0
465.21262	0.7
468.10010	0.2
469.21173	0.2
483.22031	0.3
525.23444	1.4
535.28827	5.1
539.24506	0.3
553.25964	0.4
567.27887	0.3
595.30432	0.3
609.32440	0.6
677.34253	0.3
747.42932	100.0
748.43262	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	749.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07101	0.4
69.35107	2.7
69.35513	0.7
70.06596	0.6
71.04982	0.3
76.84877	0.4
79.05447	0.4
81.07054	0.7
84.08138	0.5
84.22163	0.4
85.02910	0.9
86.09706	0.5
91.05496	1.2
93.07023	0.4
95.08555	0.7
97.02883	0.8
98.20715	0.7
103.05508	0.6
105.07045	0.7
109.10166	0.6
119.04946	0.3
119.08565	0.4
121.06537	0.7
121.10203	0.4
128.10732	0.3
131.04890	0.4
131.08530	0.4
137.06015	2.8
145.02919	0.8
147.04434	0.7
161.02930	0.4
161.05923	0.4
163.03870	0.5
167.07082	1.6
168.07350	0.4
177.05540	1.3
180.06659	0.9
193.08542	0.5
201.03622	0.4
245.94684	0.4
287.05801	0.5
371.59888	0.4
421.11182	0.7
451.12109	3.0
509.12738	32.5
510.13074	0.6
511.14252	19.0
512.14557	0.5
569.21204	0.9
749.33575	100.0
750.33710	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	749.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
53.63393	0.3
55.01872	1.2
55.05516	4.1
57.03439	2.4
57.07074	0.9
61.02932	3.6
65.03937	0.9
67.05509	30.7
69.03072	0.6
69.03433	9.0
69.06716	0.5
69.07073	7.0
69.74682	1.7
71.04990	1.2
73.02927	1.7
79.05495	4.9
81.03423	3.4
81.07060	16.6
83.08625	2.6
85.02909	46.1
86.03238	0.3
87.04488	0.9
91.03955	1.9
91.05479	4.0
93.07050	9.3
95.04966	0.7
95.08614	15.9
97.02899	14.6
97.10152	1.4
99.04448	2.4
103.03963	0.4
103.05477	0.4
105.07039	9.8
107.08602	14.5
109.02895	3.8
109.10162	100.0
110.10483	0.8
111.11657	0.3
115.03957	0.5
115.28319	0.3
117.07015	0.7
119.08588	11.1
121.06530	0.6
121.10154	10.5
123.11713	4.9
127.03925	11.2
131.08598	1.8
133.10141	7.7
135.11705	9.7
137.05968	0.4
137.13225	1.6
143.08568	0.4
144.09401	0.3
145.04965	15.6
145.10135	3.9
147.11700	8.9
147.12576	0.2
149.13268	5.0
151.14832	0.5
157.10149	0.8
159.11713	4.4
160.12572	0.5
161.13261	8.2
163.03970	0.5
163.06032	4.9
163.14842	2.4
169.10164	0.4
171.11702	1.0
172.12444	0.5
173.13271	2.0
175.14798	3.0
177.05467	0.5
177.16420	1.0
183.11752	0.4
185.13284	0.8
187.14822	3.5
189.16394	8.5
191.17961	22.5
192.18294	0.4
197.13130	0.4
199.14839	1.0
201.16405	4.4
203.17973	7.7
205.19514	2.1
207.17444	1.7
209.43755	0.3
213.16415	1.3
215.17969	3.5
217.19536	10.3
219.01799	0.4
219.21100	0.7
227.17923	1.0
229.19490	1.0
231.21118	0.9
241.19524	0.8
243.21007	0.7
245.22679	0.5
253.19655	0.4
255.21091	0.8
257.22617	1.4
269.22665	0.7
271.24081	0.8
281.22742	0.4
283.24179	0.7
285.25681	0.4
289.09207	0.4
295.24136	0.5
297.25754	1.8
299.19934	0.3
311.27173	0.3
325.11203	0.5
325.28888	0.6
337.29041	0.4
351.30463	2.6
365.32077	0.4
369.31369	0.4
407.36771	14.8
407.42139	0.8
408.36914	0.5
425.37857	2.2
481.16235	0.4
569.42096	0.5
749.31549	1.0
749.47253	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
53.86804	0.2
55.01870	0.4
55.05484	1.2
57.03440	2.2
57.78820	0.2
59.04976	0.9
61.02902	0.6
63.02379	0.2
65.03919	0.4
66.00345	0.2
66.70502	0.3
67.05501	0.4
69.03435	1.9
70.71429	0.7
71.01366	1.3
71.04993	8.0
73.02898	1.1
75.04459	0.9
77.03949	0.5
79.05463	1.0
81.03423	2.1
83.01333	0.5
83.04993	1.4
85.02907	10.8
85.06560	0.3
87.04447	0.8
89.03915	4.0
91.04977	0.3
91.05482	3.5
93.07021	0.3
95.04981	0.5
97.02370	0.3
97.02896	2.7
99.04442	1.1
103.05454	0.8
105.03397	3.0
105.04461	0.3
105.07018	0.6
107.04951	1.7
109.02868	1.1
111.04440	0.8
114.32674	0.3
114.94257	0.2
115.05439	0.8
116.04964	1.1
117.03378	4.4
117.05719	0.6
119.04940	0.6
119.08538	0.3
121.06523	1.7
127.03909	0.5
129.05461	0.5
130.06519	1.1
132.04413	0.3
132.08046	0.6
134.03590	0.5
135.04416	9.3
142.06500	1.0
144.04462	3.0
145.02841	7.8
145.03984	0.5
146.05983	1.8
148.07512	0.3
158.06000	1.9
160.07509	1.4
162.05493	0.3
163.03908	53.8
164.04195	0.5
164.07089	0.4
165.06967	0.4
167.07260	0.6
170.05986	0.9
174.05377	0.3
179.07317	0.7
180.08099	2.7
181.04933	0.8
181.08815	0.6
182.09637	0.6
191.07254	0.3
192.08067	0.5
193.08884	1.8
194.09624	3.2
195.10429	0.5
204.08107	0.8
205.08833	0.5
206.09669	2.1
207.06775	0.8
207.10345	1.3
208.07578	2.7
208.11223	1.5
209.08359	1.9
210.09131	0.7
210.12784	0.8
218.09769	0.6
219.10466	0.7
220.07608	1.0
220.11244	1.2
221.08330	2.9
222.09143	23.3
223.09895	3.8
224.06969	1.3
224.10706	0.3
233.08336	0.6
234.09166	3.0
235.09894	1.9
236.07140	1.7
236.10652	3.2
237.07814	0.8
237.11476	4.8
238.08638	1.9
238.12268	2.5
239.09431	0.5
246.09219	1.2
247.09982	0.9
248.07059	4.1
248.10683	2.7
249.07864	2.0
250.08635	40.2
251.09410	23.5
252.10172	3.5
254.11798	0.3
264.10199	28.0
265.10913	2.1
266.11768	26.5
267.12167	0.4
268.09689	8.6
282.11240	16.4
283.12033	9.8
284.12808	3.9
294.11411	0.6
300.12500	0.3
306.11368	0.4
310.10724	8.7
311.11258	0.5
325.09317	0.8
325.13010	0.4
331.24359	0.3
332.04544	0.3
373.64630	0.3
426.15677	0.9
473.56287	0.2
483.24905	0.3
499.91455	0.3
606.19678	6.7
607.20221	0.6
752.25476	100.0
753.25818	3.7
784.66400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31450	0.2
56.05037	0.8
58.06615	0.5
59.07394	0.2
60.08170	6.6
65.91528	0.2
67.05499	0.3
69.53225	1.1
71.07377	3.8
71.35912	0.2
72.84740	0.2
80.97510	0.2
81.07034	0.5
81.94203	0.2
86.09711	33.1
87.10069	0.2
89.07382	0.2
93.07051	0.3
95.08601	0.3
98.20879	0.4
98.21471	0.4
98.98466	3.6
99.60043	0.2
104.10750	2.0
119.24894	0.2
122.61310	0.2
125.00014	21.3
134.93518	0.2
149.67215	0.2
175.06894	0.2
181.36615	0.2
184.07352	100.0
185.07713	0.5
225.20129	0.2
277.00311	0.2
294.20346	0.2
362.16275	0.2
698.00397	0.2
747.40784	0.2
752.52124	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	753.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
59.20000	0.6
62.92445	0.8
69.03422	1.9
70.06581	0.8
71.04980	0.9
71.58504	1.2
85.02885	2.8
87.92269	0.7
91.05486	2.5
91.22226	0.7
91.81564	0.6
93.98654	0.6
94.04191	2.1
95.04984	0.7
96.26491	0.6
97.02951	0.9
98.97594	1.2
103.05485	1.8
107.04922	1.4
109.06532	1.8
111.04428	1.1
115.05425	0.8
119.04945	1.5
122.03658	4.8
125.06044	1.1
128.06281	0.9
129.07025	7.4
131.04916	5.7
131.08519	1.8
137.05988	100.0
138.06355	1.7
141.79436	0.7
143.08522	1.3
144.05730	2.4
145.06517	1.0
147.04425	1.4
151.03931	0.9
151.07558	3.1
153.05457	1.7
157.06496	6.2
158.07205	1.3
159.04507	0.8
160.05212	4.2
161.05960	1.3
163.07593	2.1
165.05536	1.3
171.08057	1.3
172.05220	3.5
174.06775	8.4
175.07553	25.5
177.05490	1.0
179.07039	0.8
187.07561	65.2
188.08116	1.7
189.07378	1.3
189.09114	24.9
190.07771	1.1
191.07065	0.8
191.08621	2.3
199.07628	3.7
202.07745	0.9
203.08536	5.4
205.06807	0.9
205.08591	3.4
217.08633	24.3
218.07187	1.2
219.01743	1.2
219.08041	7.3
220.08894	2.0
227.07140	1.0
231.08075	8.0
232.08684	1.0
233.06143	1.2
233.09680	1.4
235.09691	2.4
236.08345	1.6
239.07042	1.0
242.53372	0.7
247.07594	6.5
248.08318	7.1
251.10632	3.8
253.08585	1.0
255.06599	1.1
258.06863	0.9
259.07608	2.8
260.08310	2.1
261.09067	2.2
263.07510	1.2
263.10703	10.2
264.07785	1.6
265.08688	2.9
270.08994	2.6
271.09641	2.7
276.07813	3.6
277.08588	1.9
279.10150	11.6
280.10892	1.0
281.08218	1.1
283.09662	2.1
291.10159	21.8
292.10953	2.0
293.08151	3.1
293.11224	0.8
296.10355	5.5
308.10513	2.6
309.10901	1.1
311.12811	17.1
323.12799	34.2
329.13834	1.5
341.13858	81.6
342.14246	2.6
421.88187	0.7
427.12253	1.0
735.40393	0.7
753.25598	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01879	0.2
57.03444	1.1
63.02386	0.3
65.03941	0.4
69.03443	1.9
70.89909	0.3
71.01370	0.2
71.05000	5.0
73.02923	0.2
75.04492	0.2
79.05508	0.4
81.03427	0.6
83.04991	0.3
85.02917	7.1
85.03433	0.4
87.04459	0.2
89.03925	1.8
91.05489	13.8
93.07037	0.4
95.04984	0.3
97.02908	5.0
98.21110	0.3
99.04479	0.3
103.05481	0.6
104.04992	0.2
106.44953	0.2
107.04953	0.9
109.06561	0.2
111.04440	0.4
116.05003	0.2
117.03396	2.8
117.05777	3.6
118.06544	0.3
119.04956	1.5
121.06515	1.6
127.03921	0.4
129.05501	1.0
130.06538	0.8
131.04987	0.3
135.04434	6.4
136.04692	0.2
137.06029	0.2
143.07295	0.3
145.02863	5.9
146.06033	0.3
147.06516	0.2
148.07487	0.2
149.05997	0.6
156.08121	0.3
158.06050	0.3
162.05605	0.2
163.03923	61.6
164.04276	0.4
164.07092	0.2
167.07298	0.5
168.08089	0.3
174.05539	0.3
175.06310	0.5
176.06982	0.2
178.07791	0.4
179.08568	0.6
180.08125	0.6
181.04985	1.5
181.08759	0.7
181.10193	0.2
182.09596	0.8
186.05537	0.2
188.07127	1.2
191.07289	0.4
192.08195	0.3
193.08832	0.8
194.09691	1.2
195.06874	0.2
195.10437	0.5
196.07666	0.3
196.11243	0.5
204.08144	0.5
205.08873	0.5
206.08087	0.7
206.09721	4.1
207.08310	0.2
207.10451	0.7
208.07635	0.9
208.11253	1.4
209.08330	1.1
210.09138	1.3
217.08807	0.3
218.09747	0.3
220.07646	0.8
221.08485	0.5
222.09161	1.1
223.09912	1.9
224.07248	0.2
224.10703	5.3
233.08357	0.6
234.09160	3.9
235.09966	3.2
236.07106	2.4
236.10683	1.5
238.08730	1.6
238.12309	2.9
239.09494	0.7
242.11867	0.3
248.10782	0.7
250.08598	1.9
251.09442	15.5
252.10176	1.9
253.10982	0.3
254.11758	0.6
266.11792	40.7
267.12262	0.8
282.11139	0.2
283.11972	0.3
284.12839	100.0
285.13165	1.7
307.08289	0.9
325.09210	14.1
326.09708	0.3
363.45111	0.2
430.18622	0.4
436.49966	0.2
446.18344	1.3
446.23630	0.2
471.14621	0.2
474.35306	0.2
532.58234	0.2
590.19037	0.3
608.21356	5.0
701.03149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.1
55.01861	3.0
55.05304	2.5
55.05515	27.5
57.03438	10.9
57.07063	2.8
65.03935	3.3
67.05510	72.7
69.07064	17.4
69.22154	2.4
69.41274	16.5
71.04991	2.9
79.05498	100.0
79.81459	2.1
81.03429	11.7
81.07060	64.6
82.86843	1.8
83.04991	12.5
83.08621	10.5
85.02905	2.1
85.06498	2.8
91.05488	94.3
93.07050	98.0
95.04978	19.1
95.08614	47.3
96.09489	2.0
97.02877	2.2
97.06535	5.9
97.10178	4.8
103.05516	2.3
105.04563	5.1
105.07037	91.7
107.04948	8.2
107.08598	36.3
109.06521	8.0
109.10184	13.2
113.09569	2.0
117.07033	23.5
119.08582	61.5
121.06476	4.1
121.10152	19.8
123.08041	5.7
123.11734	4.7
125.00021	2.6
128.06218	3.8
129.07014	31.6
130.07835	2.5
131.08577	20.4
133.10139	42.9
135.08060	2.5
135.11716	15.7
141.06985	2.3
143.08594	19.3
145.10133	25.3
147.07996	3.3
147.11694	63.4
149.13237	7.7
156.09352	2.5
157.10149	11.8
159.11710	19.2
161.09711	3.2
161.13266	34.6
163.11214	3.2
163.14862	2.5
169.10162	3.0
171.11713	31.1
173.13329	10.7
175.14868	11.4
183.11684	4.3
184.07294	4.9
185.13271	8.4
187.14867	3.0
189.12733	9.4
191.14241	2.5
194.86348	1.8
197.13306	3.6
199.14828	6.4
200.30122	2.0
207.13858	26.5
213.16364	2.6
241.19499	32.5
257.18964	2.8
259.20590	59.6
261.22232	3.3
279.15976	23.5
280.48343	2.2
281.17471	66.4
297.16888	3.2
315.23175	3.8
333.24249	50.5
396.29434	2.4
447.32367	7.5
465.33374	6.1
483.34320	4.8
521.35944	2.7
529.38995	3.5
539.37378	93.8
540.37091	2.4
557.38409	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	756.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.7
57.07079	0.2
58.06356	0.2
58.06630	0.4
59.07413	0.2
60.08168	6.1
67.05511	0.3
69.07062	0.1
69.22056	0.9
69.22462	0.3
70.06603	0.2
71.07375	2.9
72.93860	0.1
81.07058	0.3
85.10182	0.1
86.09709	28.0
91.05508	0.2
93.07037	0.2
95.08610	0.3
98.98468	3.4
104.10752	1.9
107.08624	0.1
109.10168	0.1
121.10162	0.1
125.00010	19.4
147.11623	0.1
166.02565	0.2
170.52423	0.1
184.07349	100.0
185.07669	0.4
206.52579	0.1
208.30260	0.1
213.62787	0.1
215.39445	0.1
242.29166	0.1
298.54605	0.1
390.81061	0.1
397.38092	0.4
500.31180	0.2
543.91418	0.1
626.96167	0.1
646.21942	0.1
742.79791	0.1
756.55438	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	756.554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.8
57.07071	0.2
58.06629	0.5
59.07387	0.1
60.08168	7.1
67.05498	0.3
70.06579	0.1
71.07379	3.9
71.38232	0.1
80.97414	0.1
81.07047	0.2
83.08595	0.1
86.09711	33.9
87.10046	0.2
91.05428	0.1
95.08618	0.1
98.79829	0.1
98.98472	4.2
104.10754	2.1
107.41748	0.1
109.10154	0.1
113.13266	0.1
125.00012	23.0
143.01060	0.2
166.02698	0.2
175.17377	0.1
184.07352	100.0
185.07701	0.5
478.33411	0.1
496.33856	0.1
500.32010	0.1
756.55499	3.1
757.16742	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05510	0.3
57.03450	1.1
59.04988	0.2
69.03445	1.9
69.24574	1.2
69.24988	0.7
70.06577	0.7
71.01354	0.4
71.05000	5.2
73.02893	0.3
75.04474	0.3
79.05529	0.4
81.03411	0.8
83.04980	0.5
84.08102	0.2
85.02911	7.5
85.03435	0.4
86.09699	0.4
87.04439	0.2
87.36967	0.2
89.03923	2.1
91.05482	0.5
94.02178	0.2
95.04974	0.3
96.38858	0.2
97.02901	4.9
99.04474	0.3
101.02390	0.3
103.05540	0.2
103.20736	0.2
107.04951	0.8
109.02859	0.3
111.04479	0.5
116.76510	0.2
117.03393	2.9
120.08209	0.2
121.06515	0.8
127.03947	0.4
129.05489	1.0
129.69489	0.2
131.04941	0.2
133.10173	0.3
135.04427	6.7
137.05977	0.7
145.02858	6.2
145.04005	0.4
163.03915	50.3
164.04269	0.6
165.05421	0.2
167.07033	0.6
170.06084	0.2
172.07585	0.5
177.05469	1.5
181.04990	1.4
186.05554	0.4
200.07079	1.4
202.04993	0.8
213.49802	0.2
214.05000	0.6
215.05786	0.3
218.19637	0.2
222.07655	0.2
226.97189	0.2
227.05740	1.9
228.06563	5.8
229.07333	0.6
230.04486	1.8
240.06572	0.3
242.04535	0.3
242.08136	2.2
243.05292	0.3
244.06099	0.4
254.04469	0.3
255.05293	3.5
256.06067	3.1
257.06866	1.5
258.07587	0.8
260.09189	5.9
270.07632	7.0
270.18600	0.3
272.06195	0.2
272.09003	0.5
273.25552	0.2
288.08676	100.0
289.08975	2.1
307.08109	0.7
325.09180	10.4
450.13980	2.2
536.19415	0.2
568.60413	0.2
612.17169	8.7
613.17938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00616	0.1
53.03944	0.2
55.01884	0.1
55.05513	0.4
57.03441	1.6
58.48651	0.1
59.04992	0.2
60.47314	0.1
61.02915	0.2
62.29307	0.1
63.02380	0.2
63.90402	0.1
68.99797	0.1
69.03082	0.1
69.03437	1.8
70.08537	0.2
70.08920	0.2
71.01358	0.5
71.04996	5.6
73.02923	0.4
75.04473	0.4
79.05486	0.3
81.03419	0.8
83.04996	0.7
85.02910	7.3
87.04475	0.3
89.03922	2.5
91.05509	0.1
95.05035	0.1
97.02898	4.7
99.04446	0.4
101.02380	0.2
104.40611	0.1
105.36362	0.1
107.04969	0.9
109.02878	0.4
111.04453	0.3
117.03383	3.3
121.06490	0.3
127.03902	0.4
129.05476	1.0
133.05269	0.1
135.04424	6.7
145.02855	5.5
145.03810	0.1
147.06558	0.2
158.06047	0.2
160.07588	0.1
163.03911	47.3
164.04242	0.4
170.06039	0.5
172.07559	0.8
181.04991	1.6
183.06807	0.1
184.03970	0.1
184.07468	0.1
186.05499	0.5
199.06143	0.1
200.07085	1.4
202.05023	0.5
212.07082	0.4
214.05025	0.4
215.05792	0.4
226.05122	0.2
227.05786	2.2
227.08020	0.2
228.06557	5.4
229.07275	0.8
230.04483	1.7
240.06609	0.1
242.04460	0.2
242.08128	2.2
242.10416	0.2
243.05345	0.4
243.08864	0.2
244.06026	0.6
254.04497	0.3
254.08157	0.1
255.05286	3.6
256.06058	3.6
256.08810	0.1
257.06793	2.1
258.07700	1.1
260.09198	5.9
265.07104	0.2
270.07629	6.5
271.07925	0.2
272.09143	0.5
274.07092	0.2
288.08667	100.0
289.09048	1.8
294.18277	0.1
307.08258	0.7
312.08707	0.1
316.08151	0.3
319.74527	0.1
325.09183	10.0
326.09595	0.2
330.09738	0.1
361.76376	0.1
434.14432	0.1
450.13922	2.1
471.15054	0.1
612.17151	8.6
613.17725	0.5
657.76373	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01869	0.2
55.05494	0.2
57.03440	1.4
60.94495	0.2
63.02368	0.3
66.46351	0.2
69.03436	1.7
70.06584	0.4
70.63025	0.2
71.01359	0.4
71.04998	8.7
71.55836	0.2
73.02911	0.5
75.04491	0.2
77.03920	0.3
79.05499	0.6
81.03424	0.5
81.07047	0.3
83.04975	0.7
84.08109	0.2
85.02912	9.1
87.04472	0.5
89.03913	2.4
91.05457	0.4
95.04976	0.5
95.08614	0.3
97.02902	3.8
98.97581	0.3
99.04444	0.5
104.07097	0.3
106.04993	0.2
107.04955	1.0
109.02914	0.4
111.04439	0.5
113.05968	0.2
114.10274	0.4
117.03392	3.7
121.06511	0.8
123.04420	1.5
127.03912	0.6
129.05486	2.7
133.02876	0.7
133.06473	0.3
135.04431	7.9
136.06184	2.7
137.05994	0.6
145.02855	8.0
147.04399	0.3
147.06497	1.0
151.03897	1.5
152.04590	0.3
153.05469	4.4
161.05965	0.5
163.03915	100.0
164.04294	1.6
165.05588	1.2
167.03375	0.2
167.07056	1.0
175.03879	0.6
177.05522	0.6
179.07126	0.3
181.04955	1.7
183.06554	1.8
189.05499	0.4
199.09599	0.3
200.10187	0.2
207.06526	2.4
207.13789	0.4
219.06519	0.4
223.06311	0.2
237.07681	0.2
244.13234	0.5
247.06201	0.2
249.07605	0.7
273.07593	0.4
275.09229	0.5
288.10818	0.3
291.08685	0.6
293.10229	0.8
307.08112	0.6
309.09711	1.5
311.11295	0.9
325.09207	17.4
326.09549	0.5
327.09760	0.3
371.16809	1.9
372.17239	1.3
471.14606	0.3
489.13773	1.0
651.90778	0.2
758.28381	0.5
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
55.01863	0.9
55.05512	3.6
55.89001	0.5
57.03432	1.4
57.07068	1.5
58.02551	0.5
61.02917	2.0
65.03949	0.5
67.05505	5.1
69.03428	4.4
69.07081	4.4
70.06601	0.8
71.04990	1.7
71.58991	0.6
73.02915	0.9
79.05485	2.4
81.03427	2.8
81.07063	14.0
83.04978	0.5
83.08618	2.1
85.02912	29.5
85.06542	0.8
86.09702	3.0
91.03943	0.9
91.05493	2.7
93.07047	9.1
95.08614	25.3
97.02908	8.8
97.06525	0.8
97.10189	1.4
99.04462	4.9
101.06026	2.0
105.07039	5.9
107.08603	13.7
108.20200	0.5
109.02878	2.6
109.10162	11.8
111.08145	0.5
111.11717	0.8
119.08590	7.3
121.06483	0.9
121.10152	14.6
123.08098	0.7
123.11728	6.7
127.03925	8.4
127.07571	0.8
128.32219	0.5
128.81287	0.5
131.08562	1.4
133.10141	7.7
135.08035	1.2
135.11708	13.4
137.05995	1.0
137.13254	7.4
145.04965	13.0
145.10162	2.5
147.11699	7.6
149.09671	0.9
149.13271	11.6
151.14827	1.8
153.09113	1.3
157.10068	0.7
159.11703	3.4
161.13231	4.3
161.14200	0.4
163.03961	0.9
163.06009	6.3
163.11203	0.8
163.14864	3.0
165.09138	0.8
165.16365	0.7
167.10710	0.8
171.11664	0.5
173.13261	1.4
175.11192	0.8
175.14828	2.4
177.05499	0.7
177.12743	2.3
177.16385	2.8
179.10718	0.9
180.06548	1.5
181.12271	1.3
183.11922	0.5
185.13190	0.7
186.73572	0.5
187.14775	0.9
189.12793	0.7
189.16434	3.0
191.14349	1.7
191.17960	26.3
193.12302	0.8
195.13829	3.9
201.16469	1.4
203.17957	4.6
205.19481	3.0
207.13805	2.6
209.15392	4.2
211.14813	0.7
217.16037	0.6
217.19521	2.0
221.15469	1.1
225.16312	0.5
229.15892	0.9
231.21120	0.9
235.16939	2.6
241.04799	0.5
243.17451	0.8
243.21065	0.7
247.16878	4.6
249.18523	1.8
261.18539	1.8
263.20151	1.2
271.08261	0.6
275.20123	2.4
288.08704	1.0
289.09256	0.8
325.11328	4.0
343.26190	0.7
381.31378	1.3
399.32596	100.0
400.32806	2.8
403.22348	1.0
417.33759	6.0
562.31122	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	758.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01871	0.9
55.05516	14.9
57.03443	5.3
57.07076	2.4
59.05016	1.1
60.08165	1.1
61.02921	3.0
65.03935	2.1
67.05508	65.5
69.03424	2.0
69.07074	13.5
69.92960	0.6
70.13956	1.9
71.04999	20.1
71.07346	0.7
71.08642	0.8
79.05498	39.9
81.03417	1.1
81.07062	100.0
83.02235	0.5
83.04995	5.0
83.08627	7.8
85.02907	3.2
85.06549	9.7
86.09685	3.5
91.03977	1.5
91.05488	29.2
93.07048	40.7
95.04974	3.7
95.08613	28.6
95.09242	0.9
97.02898	1.6
97.06530	4.9
97.10183	2.6
98.87827	0.6
99.08070	1.2
105.04528	0.8
105.07039	16.0
107.08600	24.3
109.06532	1.7
109.10156	11.8
111.08071	3.5
117.07008	5.4
119.08585	9.9
121.10154	19.2
123.08115	1.4
123.11716	14.9
124.45377	0.7
125.00026	2.7
127.04015	0.7
131.08560	8.2
133.10136	17.8
135.11696	9.8
137.13271	0.8
145.10123	5.0
147.11699	3.8
149.13295	6.7
151.11194	7.2
153.12775	0.8
157.39238	0.6
159.11691	6.5
161.06062	0.6
161.13353	3.1
163.14784	1.0
169.12265	1.5
173.13243	3.0
175.14932	0.8
177.12814	2.0
177.16437	0.6
183.13828	3.0
184.07335	12.2
185.07671	0.8
187.13341	3.9
187.14807	1.0
195.13869	1.8
197.13220	0.6
199.14790	0.7
201.14873	0.7
227.16400	1.4
241.19513	0.7
243.21187	1.0
245.32184	0.6
257.17590	1.9
261.21988	2.9
269.17514	5.7
301.20102	16.4
317.24826	1.2
335.25809	29.7
361.15091	0.6
411.32764	0.7
437.34015	1.3
485.36060	3.2
503.37341	97.4
504.37610	2.7
511.38565	0.7
517.39093	3.6
529.38892	15.2
547.40228	0.9
561.41534	99.3
562.41815	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	759.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01856	0.3
55.05514	1.6
57.03439	1.5
57.07077	0.4
61.02930	4.8
67.05511	3.7
69.03430	2.2
69.07085	1.5
69.29892	0.6
69.30298	2.1
71.01353	0.3
71.05006	0.5
73.02924	2.8
79.05499	6.0
81.03425	1.6
81.07065	3.8
83.04975	0.7
83.08630	0.8
85.02906	4.6
86.15245	0.3
87.04441	0.3
91.03971	1.9
91.04945	0.6
91.05489	4.7
91.06026	0.5
93.07052	5.9
94.09769	0.3
95.04995	1.2
95.08614	3.0
97.02897	4.2
97.06551	0.4
97.10143	0.4
99.04465	0.7
101.02394	1.5
103.58034	0.3
105.07041	3.5
107.04952	0.7
107.08608	2.1
109.02895	0.7
109.06549	0.5
109.10192	1.0
115.03996	0.4
117.07038	0.8
119.08582	1.9
121.10172	1.5
127.03947	0.8
129.07034	1.1
131.08603	1.4
133.10133	2.0
135.11682	0.7
143.08609	0.7
145.05051	0.3
145.10178	1.1
147.11697	2.4
149.13297	0.5
159.11784	0.5
161.13310	0.9
171.11694	1.7
173.95091	0.3
179.23361	0.3
184.07375	1.0
185.04262	1.0
201.07521	0.3
203.05365	0.4
207.13918	0.4
225.00922	0.3
243.08435	2.8
247.13116	1.8
259.20752	0.4
267.16150	0.3
273.14755	0.3
296.58536	0.4
301.09085	1.5
303.15967	0.4
315.10623	0.7
317.20996	0.3
335.25912	0.4
371.16898	0.4
373.10992	0.7
373.23575	0.3
410.09738	0.3
429.17334	0.3
437.21677	0.4
447.65625	0.3
465.21051	11.9
495.22324	0.9
535.28821	5.9
537.23169	1.5
551.24469	0.4
562.38428	0.5
565.25977	0.4
579.28503	0.4
621.32196	0.7
759.42950	100.0
760.43408	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	760.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
53.44801	0.4
55.01870	0.8
61.02918	1.0
65.79294	0.4
69.03414	1.8
69.96834	0.4
70.06580	0.6
71.58640	0.6
73.02918	0.5
76.84117	0.4
78.93260	0.4
79.05488	2.8
81.03419	8.7
85.02914	6.1
91.03983	0.4
91.05491	1.7
95.04966	1.1
97.02903	3.2
102.04732	0.5
102.91403	0.4
103.05473	2.1
105.04542	0.4
105.07029	1.1
106.04179	0.4
107.04961	7.4
109.02900	0.8
115.05440	4.9
117.06217	0.8
117.07024	13.5
119.04974	0.5
121.06511	0.8
123.04445	2.2
124.05209	1.6
127.03913	1.5
127.05413	0.7
128.06248	1.5
129.06999	1.6
130.04155	1.3
131.04906	1.1
131.08595	2.5
132.05760	0.4
133.06464	1.0
135.04453	0.5
136.09457	0.4
137.05904	0.8
140.04637	0.4
141.06976	1.6
143.04939	0.6
144.05679	2.3
145.05055	1.6
145.06491	32.1
147.04424	0.9
147.08041	1.3
151.03906	0.5
152.04742	1.0
153.05394	0.8
155.06006	5.6
156.05696	5.4
157.06502	1.6
159.08057	5.6
160.05240	0.9
161.05925	3.2
162.07642	1.5
163.03879	0.8
163.06105	0.6
167.07051	38.3
168.07343	0.6
169.06418	0.5
169.07710	0.7
173.05992	61.4
174.06404	1.0
175.03902	0.6
175.07568	1.8
177.05493	1.1
179.07124	0.5
180.08664	3.0
181.04962	0.7
183.06531	0.7
184.05203	1.7
186.06798	1.0
187.07553	6.1
189.09041	0.5
190.06259	34.5
191.07036	2.3
191.08524	0.5
193.08545	1.3
201.09152	0.4
202.06248	4.0
203.07014	5.6
204.07780	0.7
205.08612	100.0
206.09047	1.3
207.06519	1.5
207.10052	0.7
209.08052	0.6
215.07031	1.2
217.08611	40.2
218.09126	0.5
219.08122	1.0
219.10197	4.2
220.08826	0.6
223.09587	2.6
231.08101	1.0
233.06059	0.4
233.09660	0.6
235.09653	32.3
236.10220	0.6
238.06360	0.7
247.07487	0.7
247.09692	7.8
248.08345	1.6
261.09000	0.5
263.10764	0.8
264.07782	1.0
265.10733	60.9
266.11154	0.8
269.08160	1.3
271.09692	1.8
275.06882	0.7
276.07849	0.9
277.08640	0.6
279.10226	1.1
282.09006	0.5
290.09604	0.7
291.10110	1.9
292.07043	0.7
293.08206	1.4
299.09085	1.2
301.07019	0.6
307.09604	1.4
308.10309	0.8
311.12820	0.6
315.08588	3.7
319.09570	1.0
323.12836	1.7
325.10489	0.5
330.10971	6.5
331.11752	3.4
336.10114	0.7
337.10574	1.1
339.12219	1.4
343.11813	0.8
351.12320	3.1
353.10327	1.0
368.12497	1.5
369.13348	0.9
371.15152	2.3
383.14911	12.4
401.15979	21.4
402.16449	0.7
447.55429	0.5
488.73730	0.5
598.08875	0.5
780.48883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01872	0.5
55.05516	4.3
57.03444	5.3
59.04999	0.7
61.02912	0.6
65.03955	0.5
65.08921	0.3
67.04256	2.0
67.05516	0.5
69.03444	2.7
70.06588	0.7
70.73384	0.4
71.01353	1.3
71.05000	25.5
71.57169	0.7
73.02912	1.3
73.76048	0.4
75.04472	1.5
79.05490	1.1
80.05027	8.6
81.03406	1.2
81.05785	1.0
81.07049	0.5
82.06587	62.0
83.04985	2.2
83.06900	0.4
84.08154	3.1
85.02912	31.3
87.04469	1.4
89.03928	3.6
91.05497	1.1
93.05740	0.5
94.06573	3.6
95.04974	1.3
96.08140	4.0
97.02895	6.4
98.97566	0.5
99.04483	1.2
105.04507	0.4
106.06563	1.4
107.04974	1.6
108.08128	16.0
111.04470	2.0
117.03401	4.3
120.08145	2.8
121.06521	1.2
122.06007	0.5
122.09669	1.1
124.07594	3.4
127.03942	0.5
129.05473	2.4
133.02849	0.4
135.04427	10.5
136.07666	0.7
137.05954	0.6
145.02853	7.6
146.09613	0.5
148.07600	1.3
149.05959	3.0
150.05551	1.3
150.09163	1.6
151.07565	0.8
152.07111	2.3
160.07664	0.5
161.92346	0.4
162.09196	0.8
163.03922	74.2
164.04291	1.0
164.07098	0.7
165.05504	0.4
165.07893	2.9
166.08620	1.0
167.07025	2.5
174.09222	1.4
178.08641	2.4
181.04984	2.0
183.08926	0.8
186.09059	0.6
189.07845	0.7
192.10155	2.0
194.08119	0.4
196.09760	1.3
200.10722	1.1
204.10274	0.9
206.11818	1.2
210.11324	0.7
216.10323	1.0
218.11850	0.6
222.11191	1.1
228.12427	0.6
234.11252	0.7
236.13005	0.5
243.14951	0.9
248.12840	0.7
254.13927	1.4
259.14572	1.1
273.16003	25.6
274.16589	0.7
275.14291	0.5
291.17053	20.9
307.08191	1.0
315.16925	2.3
319.16589	1.2
325.09241	5.8
326.10339	0.4
333.18137	3.5
383.19720	1.8
399.19415	0.8
401.20837	1.6
413.11398	0.6
417.20291	0.6
419.21994	1.7
437.23093	1.2
615.25677	1.4
761.31305	100.0
762.31500	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	762.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03737	0.1
53.03946	0.7
55.01857	0.2
57.03432	0.1
59.13047	0.1
61.02912	0.2
65.03935	0.2
69.03432	0.3
69.32869	0.1
69.33279	0.4
70.06582	0.1
77.03914	0.4
79.05478	0.1
81.03416	0.4
84.54143	0.1
85.02906	1.6
91.05485	4.1
92.05774	0.1
93.03381	0.1
93.07047	6.4
95.04971	1.2
97.02874	0.6
98.21612	0.1
99.04443	0.1
102.04730	0.1
103.05469	4.7
103.59067	0.1
105.04526	0.7
107.04964	0.1
109.02869	0.1
111.04469	0.1
114.05360	0.1
119.04930	0.1
121.06507	100.0
122.06834	1.0
123.00797	0.4
123.04451	0.1
127.03912	0.3
135.04442	0.1
137.05992	0.1
145.02826	0.1
145.04961	0.2
149.02345	1.0
149.06102	0.1
153.05476	0.1
155.03429	0.1
155.87369	0.1
163.03975	0.4
163.06155	0.1
163.07452	0.1
165.05531	0.2
167.03394	0.5
177.05487	0.1
181.04965	1.7
191.03400	0.9
205.04958	0.1
209.04427	0.2
223.06007	2.2
223.08154	0.1
241.07005	0.1
265.07025	0.6
283.08218	0.1
329.10123	0.4
350.00952	0.1
361.12805	0.1
371.11450	0.1
389.12445	0.1
403.13831	0.6
446.67572	0.1
611.38599	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	763.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01876	3.6
55.98489	1.5
65.03940	14.5
70.42017	1.4
71.57840	2.0
79.05478	4.0
79.45418	1.6
81.07038	2.1
82.04187	1.8
91.05496	12.3
93.02985	1.3
93.03423	13.4
93.07038	3.7
95.01339	2.7
95.04966	5.6
103.05459	7.8
103.18269	1.4
105.03430	1.5
105.07037	8.9
107.04935	11.0
110.03663	12.4
111.04439	11.9
112.29685	1.5
115.05441	4.2
117.06998	2.6
118.04175	1.7
119.04954	7.9
119.08607	1.6
121.02853	2.1
121.06511	37.7
122.06822	9.5
123.04433	6.3
124.05251	2.6
125.06001	22.2
128.06221	1.7
129.07028	7.3
131.04918	5.8
133.02852	3.2
133.06499	6.3
135.04396	1.6
137.05984	22.4
143.04910	2.3
144.05730	2.5
145.06471	3.9
146.03720	1.7
147.04366	6.5
147.08057	2.1
149.06010	7.8
151.03900	3.7
151.07565	7.4
152.04576	1.9
153.05476	72.5
153.06737	3.7
156.05585	2.3
159.08061	9.1
160.05157	2.0
161.06007	10.0
163.03853	2.1
163.07550	3.2
165.05565	2.5
165.06929	2.0
167.07054	66.8
172.05229	3.2
175.05118	1.6
175.07558	15.7
177.05481	4.1
178.07794	3.0
179.07037	5.2
181.04970	3.1
184.05212	2.8
185.05974	2.0
186.06772	3.6
187.07544	15.7
189.05484	3.8
189.07022	3.9
190.07724	2.3
190.25417	1.7
191.06985	6.3
191.08601	4.8
195.08119	2.2
198.06802	2.2
199.07535	6.9
202.07796	3.7
203.06938	1.8
203.08571	6.1
205.06476	4.2
206.07281	3.7
207.08069	4.2
208.08868	1.9
209.08070	2.0
211.07573	3.4
216.07837	7.0
217.06549	2.8
218.07306	4.8
219.08105	12.6
220.05641	1.8
220.08806	5.2
221.06010	4.2
221.09576	3.3
223.07677	2.5
229.08533	7.5
231.08057	3.1
232.08755	2.5
233.05952	3.6
233.09647	4.5
234.06752	4.7
235.07532	10.0
236.08307	6.8
237.09116	4.0
239.06964	1.8
240.07767	4.8
245.05934	3.1
246.06734	2.2
247.07520	9.4
248.08316	4.8
249.09113	11.0
250.06232	2.2
251.06966	5.1
251.10725	12.4
253.08589	3.3
258.06827	1.8
259.07556	3.6
260.08353	2.0
261.05563	2.9
261.09116	5.1
262.06265	2.0
262.09705	1.6
263.07047	6.5
263.10461	2.3
264.07788	12.8
265.08627	14.6
266.09354	3.8
267.10031	2.3
269.08130	3.1
275.07019	4.6
276.07776	6.4
277.08588	10.3
278.09232	9.2
279.10126	11.2
280.11096	2.1
281.08459	2.7
281.11746	9.9
283.09665	2.1
288.07614	2.0
289.08627	5.6
290.09506	2.5
291.06848	1.7
291.10153	5.5
292.07175	4.5
293.08099	6.8
293.11441	3.1
294.08942	2.7
295.09744	3.3
296.94931	1.7
297.11078	2.3
303.10333	1.6
304.07178	2.4
305.07974	3.8
305.11118	1.6
306.08630	2.7
307.09650	33.1
308.10324	8.9
309.11224	18.0
310.11749	2.7
311.09375	3.1
311.12662	11.2
319.09747	7.2
320.10406	2.6
321.11282	8.2
323.09161	2.4
323.12854	4.5
324.09961	2.4
325.10605	7.9
327.12390	9.9
329.94458	1.7
337.10837	8.1
339.12280	100.0
340.12820	4.6
341.13852	53.6
342.14270	2.4
343.11765	2.4
347.12668	1.6
351.12228	17.6
352.12888	2.5
353.13751	9.2
355.12012	2.0
357.13467	12.0
369.13293	3.0
383.14886	2.9
395.15125	1.7
426.61368	1.8
467.14941	1.8
487.17831	2.7
499.17801	2.9
631.08978	1.6
763.30768	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.4
55.01867	2.6
65.03947	16.1
67.05498	3.0
70.24825	5.1
70.25173	1.4
78.04720	2.7
79.05483	3.5
82.04225	1.7
84.11688	1.2
85.02936	1.3
85.42228	1.4
91.05480	11.6
93.03416	12.0
93.07056	3.4
95.04972	4.6
98.20845	1.6
103.05463	6.8
105.07046	8.9
106.04232	1.9
107.04959	9.0
108.05282	1.3
110.03667	13.2
111.04463	11.8
115.05473	5.4
117.07079	1.9
118.04101	2.0
119.04941	6.9
119.08582	2.8
121.02903	1.9
121.06512	31.7
122.06825	7.4
123.04445	6.1
124.05203	3.3
125.06010	17.2
128.06235	2.9
129.06979	8.3
131.04938	9.9
133.02875	3.1
133.06490	3.0
137.05995	18.7
138.03200	1.6
145.06454	2.9
146.03648	2.1
147.04454	7.4
147.08107	2.8
149.06015	3.9
151.03868	1.6
151.07570	5.7
152.04768	1.6
153.05486	70.1
155.04895	2.5
157.06499	1.9
159.08022	8.8
160.05215	2.1
161.06001	9.4
163.07619	3.6
165.05617	2.0
165.07014	2.8
167.07057	63.9
169.06506	2.5
171.08044	1.5
172.05193	1.7
175.07585	14.4
176.04720	2.0
177.05470	5.2
178.07784	2.2
179.07021	4.4
179.08490	2.7
181.04988	2.6
181.06548	2.2
185.05981	3.5
186.06804	3.4
187.07567	21.4
189.05489	4.2
189.06900	2.9
189.09062	2.1
190.07799	4.5
191.07004	5.1
191.08594	4.7
194.07379	1.9
195.08070	4.0
197.06023	2.3
199.07532	8.4
200.25584	1.6
201.05511	2.1
201.09172	3.7
202.07767	2.7
203.06966	2.7
203.08618	5.6
205.06485	4.9
206.07394	2.8
207.06406	1.8
207.08136	3.3
209.06116	2.7
209.07993	2.7
210.06699	2.0
214.06380	2.1
215.08646	2.2
216.07845	7.2
217.06577	2.5
217.08548	1.7
218.07272	5.3
219.08075	9.6
220.08852	3.8
221.06044	4.4
221.09651	6.2
223.07657	4.1
225.09024	1.8
229.08664	6.5
231.08090	6.1
232.08820	2.3
233.06071	3.2
233.09724	4.0
234.06787	5.4
235.07541	9.6
236.08354	6.1
237.09131	3.9
238.09714	1.6
239.07062	2.1
240.07860	4.0
245.05983	2.7
245.09459	1.7
246.06744	1.9
247.07480	8.6
248.08362	5.7
249.05386	3.4
249.09143	12.1
250.06331	2.7
250.09868	2.4
251.07042	4.7
251.10645	10.3
253.08691	3.8
259.07474	1.8
260.08362	2.1
261.09134	4.1
262.06143	2.0
262.09885	2.0
263.07083	6.0
263.10690	3.5
264.07813	11.7
265.08557	10.0
266.09448	2.3
267.10193	2.6
275.07050	5.7
276.07803	7.6
277.05792	1.3
277.08646	9.9
278.09421	5.4
279.10202	11.3
280.10745	1.7
281.08331	3.5
281.11755	7.4
283.09653	2.7
288.07831	1.9
289.08530	5.0
290.09250	2.6
291.10190	6.0
293.08093	7.4
293.11520	3.2
294.08804	3.2
295.09561	2.4
296.10602	1.7
305.08243	2.5
306.08664	2.2
307.09665	35.6
308.10361	6.6
309.07803	2.8
309.11166	15.6
311.09515	2.2
311.12933	10.3
313.10916	2.1
319.09735	7.3
320.10452	1.8
321.11197	9.5
323.12772	6.8
324.10049	2.3
325.10672	6.8
327.12210	7.0
337.10699	5.1
339.12311	100.0
340.12772	2.8
341.13855	58.4
342.13983	2.4
351.12256	21.9
352.13095	2.4
353.13675	9.5
357.13440	10.3
369.13449	3.5
371.14908	1.8
387.14703	1.8
499.17749	4.6
517.18573	1.9
629.18512	1.7
645.05927	1.7
665.22101	1.6
743.84198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05519	1.7
57.03457	1.2
61.02933	4.1
67.05513	5.2
69.03442	1.8
69.07069	2.8
71.04974	1.0
71.57556	0.7
73.02912	2.4
79.05497	3.2
81.03441	1.5
81.07061	6.2
83.04977	0.7
83.08633	1.6
85.02934	3.6
85.06590	0.6
86.09711	0.9
91.03973	2.0
91.05504	2.7
93.07078	4.2
95.04993	1.1
95.08612	2.5
97.02906	3.0
97.06517	0.8
99.04534	0.6
101.02419	1.5
105.07060	1.5
107.08614	2.6
109.02937	0.9
109.06541	0.8
109.10155	0.9
110.03606	0.5
119.08620	1.4
121.10201	1.6
123.11743	0.7
127.03973	1.7
131.08629	0.8
133.10181	1.0
135.11664	0.8
149.13275	2.2
169.30980	0.6
184.07445	2.1
185.04207	0.6
235.13095	1.0
243.08437	2.7
261.46622	0.6
263.06332	0.6
290.80594	0.5
328.37592	0.5
333.20474	1.6
389.23215	0.7
424.61469	0.6
453.21066	9.7
469.20398	0.8
551.28296	4.9
752.49432	0.7
763.42407	100.0
764.42853	5.2
773.46436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01870	0.4
55.05515	1.1
57.03442	1.6
61.02931	5.7
65.03951	0.3
65.33295	0.3
66.05245	0.3
67.05508	6.3
69.03433	3.8
69.07072	1.4
70.96500	0.8
71.01369	0.4
71.04995	3.4
73.02918	4.4
77.44119	0.2
79.05496	3.5
81.03426	1.9
81.07059	7.4
83.01373	0.2
83.05029	0.3
83.08628	0.7
85.02908	5.8
85.06564	0.8
87.04448	0.4
91.03967	4.1
91.05487	3.3
93.07047	4.0
95.04942	0.5
95.08609	3.7
97.02892	5.3
97.06549	0.5
97.10231	0.3
99.04482	1.1
101.02385	2.6
103.03945	0.7
105.07025	1.6
107.08603	2.3
109.02896	1.3
109.10154	1.1
111.08139	0.3
115.03951	0.3
117.07001	0.3
119.08609	0.9
121.06529	0.3
121.10152	1.8
123.11754	0.9
127.03932	1.6
131.08594	1.1
133.10110	1.5
135.11720	1.0
145.04970	0.4
145.10112	0.5
147.11710	0.5
149.13283	0.9
151.11250	1.1
151.12369	0.3
159.11732	0.6
177.12737	0.3
183.13820	0.4
185.04247	0.6
187.13292	0.4
203.05319	0.5
243.06140	0.4
243.08374	2.9
257.17505	0.5
267.15753	1.9
280.68542	0.3
287.64941	0.3
323.18347	0.3
335.25592	0.4
453.21072	0.8
485.23550	7.0
519.29340	7.1
520.29333	0.4
568.57733	0.3
710.57880	0.3
763.46039	100.0
764.46423	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	764.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	0.8
55.05513	12.8
56.96561	1.0
57.98796	1.5
58.99591	26.5
61.01139	1.8
69.03427	0.8
69.45360	4.2
70.06579	2.2
71.04984	1.7
73.01147	3.1
76.02216	0.9
76.04012	3.7
81.07053	1.9
83.08143	0.9
83.08627	14.8
84.04494	0.8
84.08140	1.4
85.02923	4.0
86.99062	20.6
87.04465	1.4
88.02225	7.7
91.05456	1.8
93.07045	2.2
95.04973	1.0
96.04476	0.7
97.02888	1.2
98.00640	0.9
98.06078	0.7
101.09635	1.0
103.05448	1.7
105.07033	0.7
107.08596	0.6
112.11235	1.1
113.02377	2.0
115.05830	0.8
116.01687	100.0
117.02063	0.7
121.06522	13.6
130.05002	6.1
130.06575	0.6
142.03267	5.8
142.04994	7.2
143.13287	0.6
144.01155	44.7
144.04454	1.0
146.02721	0.6
146.06041	2.8
154.05025	2.7
159.08424	3.3
162.02214	99.3
163.02632	1.0
163.03856	3.7
164.07104	3.1
165.05458	1.0
172.07565	0.8
174.02208	0.8
176.07114	1.7
178.08664	7.0
188.03806	1.9
188.05568	9.2
188.07129	0.6
192.03299	0.8
199.05421	1.1
199.07188	3.6
202.08682	0.7
204.06616	1.7
204.10213	2.3
211.07138	3.8
213.08890	0.7
222.07619	7.5
223.07962	0.6
244.10066	0.9
245.05605	6.1
245.08235	3.9
248.09203	1.6
250.10699	1.5
253.53331	0.6
255.50848	0.7
257.05069	0.5
257.07693	14.4
257.10211	1.1
262.11096	22.5
268.11841	0.8
273.05536	0.7
290.10358	0.8
291.06451	5.7
316.08264	1.4
325.08847	0.7
334.09351	3.7
347.16205	2.7
373.14447	0.8
374.16022	6.8
391.15363	77.3
392.15594	1.7
400.17554	0.6
417.67117	0.6
425.85138	0.6
444.54770	0.6
486.17743	7.1
584.22980	1.2
612.22205	1.9
706.09467	0.7
720.32202	1.1
732.27582	1.6
764.30573	43.6
765.30652	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
56.62154	0.8
57.03431	0.8
65.03932	4.5
65.28580	0.8
67.05492	1.3
68.05061	1.0
69.03427	3.8
69.51785	0.8
70.06592	3.0
71.59341	1.5
79.05493	2.6
79.09862	0.9
81.03415	3.1
81.07095	1.4
84.08112	1.1
85.02914	6.8
91.05480	7.2
93.03403	2.4
94.04179	1.0
95.04970	2.5
97.02874	2.3
103.05467	20.6
105.03422	1.5
105.07040	3.0
107.04956	6.7
108.02132	1.1
109.06509	1.8
110.03671	3.8
111.04462	4.8
115.05471	4.3
117.07043	2.8
118.04200	2.9
119.04964	5.8
119.08627	1.0
120.05786	1.3
121.02885	3.5
121.06527	6.1
122.03642	4.0
122.06770	1.0
123.04420	2.8
125.05967	4.6
127.03932	2.6
129.06993	2.1
131.04932	29.4
132.05772	1.3
133.02856	3.3
133.06493	5.0
134.03629	1.8
135.04445	1.2
135.08028	1.8
137.05983	64.1
138.03188	1.0
138.06323	1.5
139.07523	1.0
143.04929	3.6
145.04950	1.7
145.06497	5.4
147.04424	9.7
147.08047	1.6
148.05194	9.5
149.05971	4.4
151.03912	81.4
151.04965	4.1
151.07433	4.0
153.05469	18.6
157.06427	1.8
159.08115	2.1
160.05237	1.7
161.05991	5.3
163.03941	1.1
163.07550	31.9
165.05508	3.4
167.07066	20.8
167.08438	1.9
172.05176	1.1
173.06009	8.1
174.06802	1.1
175.07558	16.6
175.08987	1.5
176.04720	2.9
177.05505	4.5
177.09111	0.9
179.07054	9.1
179.08521	1.2
181.04985	25.1
181.06535	1.9
187.07545	7.4
188.08311	1.1
189.05466	1.5
189.09125	2.4
190.06201	1.7
191.07037	100.0
192.07451	1.4
192.69240	1.0
193.05110	1.0
193.08614	3.9
195.06570	1.3
195.08157	1.6
199.07626	3.3
201.05511	1.1
201.09050	1.2
203.07027	7.1
205.06688	1.0
205.08600	15.9
207.06493	1.7
207.08273	1.4
207.10184	1.9
209.07988	4.5
210.06729	1.1
211.07544	1.5
215.06966	2.4
217.08620	8.1
219.08295	1.1
219.10202	3.2
221.07942	1.5
229.08571	2.0
233.07985	4.7
234.06819	1.8
235.07561	2.3
235.09669	16.0
236.08337	1.9
237.09123	3.9
239.06964	2.0
241.08714	1.1
245.08127	1.4
247.07494	1.0
247.09753	5.0
249.09166	2.1
250.06300	1.4
251.07053	1.5
253.08589	2.4
254.09323	1.0
257.08084	1.8
259.09808	1.5
263.06607	1.4
263.09183	19.3
265.08603	1.4
265.10858	10.0
266.09488	1.0
267.10144	2.8
275.09427	0.9
277.08481	2.4
279.10120	1.0
291.10159	1.6
293.07849	1.6
295.09625	2.3
297.11227	2.5
300.09805	1.2
307.09637	2.8
309.10956	1.6
311.11514	1.9
321.11292	1.0
325.10660	10.6
327.12314	2.6
329.13861	2.5
337.10574	1.8
338.11887	1.1
339.12323	5.9
341.13773	4.2
351.12244	2.2
353.13849	3.5
355.11847	10.3
356.12122	0.9
357.13406	14.2
359.14664	1.3
365.13864	1.4
369.13330	7.1
371.14908	9.2
373.27441	0.9
387.14401	90.1
388.14725	3.2
425.15945	1.0
478.87753	1.1
519.20685	1.5
537.21405	1.1
549.20160	4.4
764.26984	1.2
773.52747	1.0
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
55.05502	25.7
57.03433	16.5
60.54729	5.3
67.05509	61.7
69.07086	39.4
71.04995	5.7
77.02600	5.8
79.05511	35.4
81.07053	65.0
83.08607	22.7
86.09720	7.7
91.05482	16.3
93.07043	34.4
95.08610	53.7
97.10138	11.4
105.07040	11.5
107.08600	24.0
109.10148	25.0
109.45647	5.3
111.08107	7.1
117.20499	4.8
119.08559	7.7
121.10136	22.6
123.11729	6.2
124.99957	8.0
125.44253	5.3
131.08650	8.1
133.10199	10.0
135.11720	22.1
145.10217	7.3
159.11769	7.8
161.13222	8.3
184.07355	20.8
195.00352	10.0
243.21028	8.2
261.22195	28.9
284.92917	5.6
311.25809	100.0
335.25845	94.9
350.69208	5.5
351.37747	5.8
383.49121	6.4
571.47516	48.1
589.48260	12.0
593.25623	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	769.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39126	0.3
69.32446	3.1
70.06596	0.5
76.80238	0.3
85.02866	0.4
90.27698	0.3
91.05515	0.4
94.68256	0.3
105.11370	0.3
112.47649	0.4
117.11870	0.3
137.05991	0.9
145.02937	0.4
151.03867	0.4
167.07100	0.7
175.03728	0.7
176.04358	0.4
177.05414	0.3
185.04242	1.1
204.03978	0.6
309.09598	0.5
337.09018	1.5
363.33569	0.4
379.11737	0.5
393.13605	0.4
395.10986	1.0
409.12686	0.9
410.13559	1.9
419.13263	1.1
429.49326	0.4
457.39667	0.4
529.17358	0.5
543.18323	1.3
553.17029	1.1
556.54572	0.4
557.16364	1.9
571.17871	2.5
572.18390	2.0
573.19232	0.6
597.59357	0.3
607.21594	1.2
769.26807	100.0
770.27124	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48895	2.0
55.05503	6.5
56.68505	1.8
57.03436	3.9
57.07075	2.4
57.54737	1.8
61.02925	4.2
62.54874	2.1
67.05512	11.6
67.63081	1.9
69.03444	12.5
69.03746	2.7
69.07082	11.0
70.06566	2.7
71.04990	3.9
71.58920	2.8
73.02891	3.4
79.05484	8.9
81.03435	3.7
81.07069	25.2
82.54774	1.9
83.08592	4.6
85.02915	62.3
85.18192	1.8
91.05470	9.6
93.07053	27.0
95.04945	3.1
95.08619	32.9
97.02899	18.5
97.10160	4.0
99.08125	2.4
105.07044	23.0
107.08607	35.9
108.59399	2.1
109.02871	5.5
109.10185	21.5
111.08090	6.3
117.07008	4.7
119.08598	31.8
121.06544	3.4
121.10162	22.5
123.11718	6.9
125.09573	2.3
127.03917	14.5
131.08553	9.7
133.10139	24.0
135.11713	22.8
137.06024	2.9
139.11169	3.6
143.08542	3.9
144.09406	2.6
145.04976	20.8
145.10130	13.6
147.11699	16.2
149.13275	16.8
157.10062	4.7
159.11731	20.8
161.13304	12.3
163.03926	2.9
163.06023	6.0
163.14857	19.3
165.09148	3.0
169.10135	3.5
171.11617	3.8
173.13248	11.8
173.44174	2.1
175.14857	8.6
177.05516	2.6
177.16420	6.3
181.15887	11.4
185.13266	5.0
187.14801	14.5
189.16386	13.3
191.17935	5.2
199.14806	7.5
201.16396	21.4
203.17975	22.0
205.15891	3.2
207.17566	4.9
213.16408	5.0
215.17958	4.3
217.19464	2.6
219.17476	19.3
225.16376	4.0
227.17899	5.7
229.19536	5.4
233.18997	2.3
237.18546	9.0
239.17944	2.2
241.19487	2.5
247.20764	3.3
253.19418	2.6
267.21027	2.3
321.25488	2.3
349.28961	3.6
351.30423	2.4
369.31497	11.9
391.33716	8.6
409.34692	100.0
409.40186	4.9
427.35754	43.9
445.36823	3.8
564.70245	2.3
769.32068	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	770.287
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.6
71.04955	0.9
71.29674	0.4
71.55945	0.6
81.03373	0.5
85.02849	1.6
87.04475	43.1
91.05484	8.1
92.04932	0.5
93.07057	9.3
95.04977	2.4
97.02865	0.5
97.28413	0.5
101.46726	0.5
103.05485	8.1
105.04475	1.1
115.62090	0.5
117.05742	1.7
118.06561	2.9
121.06517	61.0
134.05887	0.6
134.09628	0.9
144.04474	6.5
146.06020	14.3
162.05524	5.1
163.03946	3.8
164.04285	0.5
164.07018	1.7
172.03960	3.1
176.05528	0.5
176.07088	9.7
178.08647	53.2
180.10136	0.4
190.05006	5.9
196.09753	0.9
204.06583	10.0
222.07637	12.8
222.10944	0.5
238.10757	0.7
239.11554	0.7
242.39101	0.4
248.09161	2.0
250.10721	1.9
258.07858	0.5
262.10825	6.0
263.10632	0.5
264.12320	16.1
265.13034	3.4
276.08783	2.3
282.13333	0.6
290.10263	9.6
308.11301	100.0
309.11646	1.4
340.12097	0.5
342.13611	0.6
350.09122	0.5
384.16705	0.7
428.17044	6.6
444.18796	0.8
446.18073	1.3
452.15701	0.7
488.19006	3.6
518.20294	4.4
548.21503	5.0
590.22839	2.8
608.23462	34.6
609.23846	0.7
632.22400	0.7
770.28693	81.3
771.29633	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	770.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.2
56.10837	3.3
57.03427	9.9
57.07077	34.0
67.05189	4.1
67.05510	45.9
69.07082	17.1
70.76992	7.2
70.77352	5.2
71.08626	27.5
79.05503	22.3
81.07061	46.8
83.04964	3.4
83.08607	14.9
85.02945	3.3
85.10178	7.9
86.09705	4.7
91.05479	14.5
93.07058	27.7
94.39832	4.1
95.08608	47.5
96.23923	3.4
97.02905	5.0
97.10153	8.2
99.32300	3.7
105.07045	9.5
107.08602	19.0
109.10160	24.6
109.27386	3.8
117.07014	3.9
119.08576	10.1
121.10134	10.7
123.11728	8.6
131.08614	7.1
133.10126	4.8
135.11728	10.5
145.10034	5.9
147.11679	4.6
149.13286	6.8
163.14705	3.6
168.36732	4.3
173.13287	5.2
184.07301	20.0
212.61856	3.5
243.21130	9.5
261.22147	36.3
313.27344	100.0
317.24930	5.5
335.22034	5.8
335.25797	70.3
358.16486	3.4
573.48688	36.8
574.48291	3.7
591.49738	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	771.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
58.40474	0.3
65.03931	0.4
69.03441	0.8
69.99500	1.7
70.06594	0.6
71.04969	0.4
74.56713	0.4
77.03914	0.4
79.05475	1.5
85.02908	1.8
89.40376	0.4
91.05491	2.8
93.07034	0.5
94.04175	0.6
95.04976	0.6
97.02898	0.7
103.05479	2.3
105.07030	2.8
106.04144	0.5
107.04968	2.8
109.02849	0.7
111.04427	0.4
115.05444	1.0
117.03343	0.4
118.04161	1.3
119.04963	3.8
121.06504	2.4
122.74582	0.4
123.04395	1.8
124.05244	0.4
125.06022	0.6
127.03876	0.3
128.06227	1.2
129.07005	1.0
130.04129	0.6
131.04945	4.0
132.05757	0.4
133.02858	2.4
133.06476	1.8
137.05968	4.6
144.05618	0.6
145.02885	0.5
145.06470	0.8
147.04402	4.6
149.05988	1.0
151.03914	0.8
151.07545	1.0
152.04729	0.5
153.05473	1.0
159.04405	0.5
159.08049	1.5
161.05995	3.0
163.03931	2.0
163.07513	1.0
165.05559	0.7
167.07051	9.7
168.05685	0.6
169.06555	0.6
171.08028	1.2
173.06015	0.5
175.07512	1.6
176.04688	1.3
177.05457	1.5
177.06911	0.4
179.07019	2.4
179.08427	0.5
181.06468	0.6
183.06519	1.1
184.05205	1.2
187.07550	1.0
189.07043	1.3
190.07779	2.4
191.07024	8.9
191.08582	1.1
195.07968	0.4
199.07564	4.9
202.07741	3.0
203.08591	3.0
204.09259	0.7
205.06445	1.8
205.10133	1.1
206.07143	0.5
207.08064	0.8
213.07008	0.4
215.08620	2.7
216.09378	0.6
217.10164	0.4
218.07262	3.5
219.08095	3.5
220.08791	2.7
221.09688	0.9
222.06746	0.5
229.06442	0.9
229.08591	0.6
230.07285	1.5
231.08049	5.8
232.08743	3.5
233.06007	2.1
233.09584	5.8
234.06793	1.5
234.10246	0.7
235.07440	1.3
235.11209	0.5
237.09114	1.9
242.07883	0.4
243.08061	1.5
244.08800	0.6
245.05991	1.6
245.09691	1.2
246.06787	2.3
247.07541	3.9
248.08336	6.6
249.09180	3.7
250.06390	0.6
250.09886	0.8
257.05994	0.9
258.06720	2.3
259.07513	4.6
260.08267	3.8
261.05490	5.2
261.09122	7.8
262.06189	1.0
262.09875	1.4
263.07098	1.7
263.10651	4.1
264.07651	0.4
264.11444	0.7
265.08624	8.6
266.09335	0.7
273.05914	0.7
273.09055	6.8
274.06265	3.7
274.09445	0.7
275.07040	4.0
275.10587	1.1
276.07809	18.7
277.08557	5.4
278.05881	0.5
278.09396	2.7
279.10196	1.2
280.07364	1.0
280.10800	0.6
287.07010	0.9
288.07852	2.6
289.05286	0.7
289.08582	12.8
290.05981	0.7
290.09341	8.9
291.06665	0.8
291.10135	9.9
292.10944	1.5
293.08069	6.1
293.11710	2.5
301.08542	4.2
302.10272	1.9
303.06769	0.5
303.10150	1.3
304.07312	6.0
305.08051	3.7
305.11700	1.0
306.08762	2.2
307.09616	1.5
308.10410	7.8
309.11023	1.1
318.08875	1.2
319.09644	39.4
320.10367	9.3
321.07584	1.1
321.11166	13.2
322.11957	1.0
323.09305	0.8
323.12762	17.2
325.10385	0.5
335.09250	0.4
336.09872	2.9
336.13641	1.2
337.10760	0.9
337.14377	0.8
338.11462	0.9
351.12262	100.0
352.12775	4.5
353.13812	11.1
369.13446	1.8
379.12033	0.5
501.19073	0.6
513.17853	0.5
541.18671	0.6
626.18359	1.4
772.24286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
58.40474	0.3
65.03931	0.4
69.03441	0.8
69.99500	1.7
70.06594	0.6
71.04969	0.4
74.56713	0.4
77.03914	0.4
79.05475	1.5
85.02908	1.8
89.40376	0.4
91.05491	2.8
93.07034	0.5
94.04175	0.6
95.04976	0.6
97.02898	0.7
103.05479	2.3
105.07030	2.8
106.04144	0.5
107.04968	2.8
109.02849	0.7
111.04427	0.4
115.05444	1.0
117.03343	0.4
118.04161	1.3
119.04963	3.8
121.06504	2.4
122.74582	0.4
123.04395	1.8
124.05244	0.4
125.06022	0.6
127.03876	0.3
128.06227	1.2
129.07005	1.0
130.04129	0.6
131.04945	4.0
132.05757	0.4
133.02858	2.4
133.06476	1.8
137.05968	4.6
144.05618	0.6
145.02885	0.5
145.06470	0.8
147.04402	4.6
149.05988	1.0
151.03914	0.8
151.07545	1.0
152.04729	0.5
153.05473	1.0
159.04405	0.5
159.08049	1.5
161.05995	3.0
163.03931	2.0
163.07513	1.0
165.05559	0.7
167.07051	9.7
168.05685	0.6
169.06555	0.6
171.08028	1.2
173.06015	0.5
175.07512	1.6
176.04688	1.3
177.05457	1.5
177.06911	0.4
179.07019	2.4
179.08427	0.5
181.06468	0.6
183.06519	1.1
184.05205	1.2
187.07550	1.0
189.07043	1.3
190.07779	2.4
191.07024	8.9
191.08582	1.1
195.07968	0.4
199.07564	4.9
202.07741	3.0
203.08591	3.0
204.09259	0.7
205.06445	1.8
205.10133	1.1
206.07143	0.5
207.08064	0.8
213.07008	0.4
215.08620	2.7
216.09378	0.6
217.10164	0.4
218.07262	3.5
219.08095	3.5
220.08791	2.7
221.09688	0.9
222.06746	0.5
229.06442	0.9
229.08591	0.6
230.07285	1.5
231.08049	5.8
232.08743	3.5
233.06007	2.1
233.09584	5.8
234.06793	1.5
234.10246	0.7
235.07440	1.3
235.11209	0.5
237.09114	1.9
242.07883	0.4
243.08061	1.5
244.08800	0.6
245.05991	1.6
245.09691	1.2
246.06787	2.3
247.07541	3.9
248.08336	6.6
249.09180	3.7
250.06390	0.6
250.09886	0.8
257.05994	0.9
258.06720	2.3
259.07513	4.6
260.08267	3.8
261.05490	5.2
261.09122	7.8
262.06189	1.0
262.09875	1.4
263.07098	1.7
263.10651	4.1
264.07651	0.4
264.11444	0.7
265.08624	8.6
266.09335	0.7
273.05914	0.7
273.09055	6.8
274.06265	3.7
274.09445	0.7
275.07040	4.0
275.10587	1.1
276.07809	18.7
277.08557	5.4
278.05881	0.5
278.09396	2.7
279.10196	1.2
280.07364	1.0
280.10800	0.6
287.07010	0.9
288.07852	2.6
289.05286	0.7
289.08582	12.8
290.05981	0.7
290.09341	8.9
291.06665	0.8
291.10135	9.9
292.10944	1.5
293.08069	6.1
293.11710	2.5
301.08542	4.2
302.10272	1.9
303.06769	0.5
303.10150	1.3
304.07312	6.0
305.08051	3.7
305.11700	1.0
306.08762	2.2
307.09616	1.5
308.10410	7.8
309.11023	1.1
318.08875	1.2
319.09644	39.4
320.10367	9.3
321.07584	1.1
321.11166	13.2
322.11957	1.0
323.09305	0.8
323.12762	17.2
325.10385	0.5
335.09250	0.4
336.09872	2.9
336.13641	1.2
337.10760	0.9
337.14377	0.8
338.11462	0.9
351.12262	100.0
352.12775	4.5
353.13812	11.1
369.13446	1.8
379.12033	0.5
501.19073	0.6
513.17853	0.5
541.18671	0.6
626.18359	1.4
772.24286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05487	1.4
55.05725	0.3
56.52217	0.3
59.04993	0.8
65.03928	0.5
65.66517	0.3
70.06590	10.9
70.07756	1.3
71.04981	0.4
72.08147	2.1
77.03923	0.6
79.05489	0.6
81.03416	0.6
85.02898	0.6
91.05479	10.5
93.07044	14.2
94.04186	0.4
95.04985	3.4
98.21397	0.4
103.05466	12.1
104.04964	0.4
105.04472	1.6
105.07014	1.1
106.06496	0.3
107.04948	0.4
107.08552	0.4
117.05765	1.9
118.06548	0.9
119.04922	0.5
119.07378	0.4
119.08602	0.4
120.05722	5.6
120.08080	0.4
121.06502	77.7
122.06010	0.4
122.06839	0.8
130.06540	1.9
131.04916	0.6
131.07309	1.2
132.04453	1.6
132.08080	1.2
133.06461	1.3
133.08812	0.4
134.06055	1.8
135.04340	0.5
135.08083	0.6
136.07535	0.4
143.07332	0.7
144.04420	0.6
144.08081	1.2
146.05949	1.6
146.09659	4.0
157.08795	0.5
158.05991	1.5
158.09642	6.1
159.10425	4.2
160.07585	0.4
160.11250	2.2
161.11969	0.4
162.05527	0.9
163.03920	1.1
163.06288	2.9
163.07538	0.7
164.07069	9.5
164.08392	0.7
167.07448	0.3
168.08151	0.5
170.09702	0.4
172.07571	1.1
172.11197	4.7
173.08380	1.1
173.11992	1.0
174.09225	0.4
174.12793	1.9
175.11061	0.4
175.13683	0.4
176.07065	3.7
176.10648	0.5
177.05510	0.6
177.07835	2.5
178.08644	9.1
186.09146	5.3
187.09891	0.4
188.07048	1.9
188.10670	0.5
189.07820	0.5
190.08627	23.3
191.09311	0.9
192.10115	1.6
194.08083	0.5
198.09119	0.9
200.10693	4.1
202.08641	3.5
202.12228	2.6
203.09415	1.1
204.10204	16.5
205.10901	0.9
206.11739	1.8
207.12492	0.6
208.09561	0.6
216.10127	2.2
217.07295	0.4
217.10979	1.7
218.11755	100.0
219.12408	2.2
220.13338	1.1
222.07645	1.0
222.11082	0.6
226.08679	0.4
228.10205	4.6
230.08119	0.5
230.11836	1.4
232.09727	5.9
232.13303	6.8
233.13972	0.5
234.11259	1.0
234.14949	1.1
235.11696	0.4
236.09283	0.7
236.12686	0.4
244.09573	1.9
246.11263	7.2
248.09224	2.3
248.12697	0.4
250.10780	0.4
250.14444	0.8
258.11221	1.3
260.12796	2.0
262.10788	0.8
274.10666	0.6
276.12329	5.5
278.10699	0.6
278.13849	5.0
282.11301	0.7
283.11551	0.5
292.15634	0.3
300.12332	1.3
301.12799	0.6
308.14954	0.4
324.15961	1.8
338.17471	2.2
351.20807	0.5
356.18738	0.4
366.17081	0.6
368.99023	0.3
381.18188	1.5
396.17999	0.7
398.19614	31.2
399.19934	0.8
400.17590	1.6
410.15689	0.7
414.19135	0.4
425.17203	0.5
428.20676	2.1
430.22266	0.9
439.18637	6.9
456.20081	1.0
486.43546	0.3
545.23145	1.6
554.37408	0.4
576.26569	0.4
591.26953	1.1
608.28564	2.2
619.26691	2.8
633.28094	0.7
721.29480	0.3
739.31989	1.7
771.34821	71.4
772.34967	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	771.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37777	0.4
55.01789	1.7
55.05431	9.1
55.05732	1.9
57.03351	4.2
57.03659	0.8
57.06994	1.6
61.02840	12.5
61.03189	2.0
65.03841	1.8
67.05411	16.4
67.05811	2.4
69.03336	6.4
69.03754	0.9
69.06973	8.7
71.01286	0.8
71.04893	1.6
71.08575	0.8
71.48843	0.7
73.02821	6.9
73.03265	0.7
74.60796	0.5
79.05392	13.1
79.05891	1.2
79.06155	0.6
81.03318	3.2
81.06957	20.7
81.07492	2.0
83.04877	1.6
83.08517	4.7
85.02800	10.2
85.03358	0.9
85.06490	0.9
86.09620	0.5
91.03851	5.5
91.05374	12.5
91.05993	1.1
92.92905	0.4
93.06937	15.4
93.07564	1.1
95.04861	2.0
95.08495	16.3
95.09147	1.2
97.02786	10.1
97.03466	0.7
97.06416	2.0
97.10064	2.5
99.04356	1.5
99.08029	0.8
101.02390	2.0
103.05385	0.5
105.04431	0.5
105.07037	12.7
105.07666	0.8
107.04859	1.1
107.08600	9.0
109.02805	1.0
109.06390	1.5
109.10160	7.3
109.10818	0.5
111.04402	0.5
111.07997	1.0
115.03874	0.7
115.05366	1.3
117.07020	8.5
119.08582	11.0
121.06406	1.0
121.10149	6.2
123.07934	1.4
123.11721	2.1
124.99844	0.5
125.09506	0.8
127.03904	2.1
127.07366	0.4
128.06207	2.5
129.07019	9.6
130.07671	1.0
131.08575	11.0
132.09259	0.5
133.10139	8.0
135.07986	1.0
135.11708	4.3
137.09572	0.5
137.13170	1.0
141.06989	4.7
142.07788	2.0
143.08574	10.8
144.09248	0.6
145.04912	0.7
145.06290	0.5
145.10138	11.3
147.08006	0.6
147.11691	5.9
149.09492	1.1
149.13141	1.7
151.14694	0.6
153.06888	1.0
154.07640	1.5
155.08568	8.9
156.09177	1.1
157.10143	10.8
158.10733	0.6
159.07985	0.4
159.11693	8.6
161.13304	2.4
163.11145	0.6
163.14755	1.1
165.06885	1.2
165.12624	0.5
166.07710	0.7
167.08586	4.5
168.09203	1.9
169.10141	11.8
170.10764	0.9
171.11705	9.3
173.09494	0.5
173.13260	6.0
175.11137	0.5
175.14711	1.8
177.12724	0.5
179.08504	2.2
180.09242	1.2
181.10133	5.5
181.77864	0.4
182.10716	1.4
183.11705	11.6
184.07365	2.3
185.13266	6.9
187.14810	3.2
189.16397	0.9
191.08446	0.9
192.09233	0.5
193.10135	2.6
193.11703	0.7
194.10811	1.0
195.11722	7.8
196.12256	0.8
197.13258	9.2
199.13275	0.8
199.14819	5.2
201.16464	1.9
205.10107	0.6
207.11807	2.6
208.12361	0.5
209.13289	5.7
210.13773	0.6
211.14824	6.0
213.14595	0.4
213.16476	3.3
215.17912	0.9
219.11621	1.3
220.12291	0.5
221.13261	3.1
221.35205	0.5
223.14835	4.6
225.16353	3.7
227.18121	2.5
233.13188	1.1
235.14703	2.0
237.16400	3.7
239.17807	1.9
241.19569	1.0
247.14659	1.4
249.16229	1.7
251.17940	2.1
253.19394	1.2
254.23494	0.4
255.21225	0.5
257.18787	0.7
259.20407	0.5
261.16354	0.9
263.17831	1.2
265.19330	1.7
267.21136	0.6
275.17648	0.5
275.20303	0.5
277.19577	0.5
279.20953	0.5
283.20557	0.9
285.22031	0.8
289.19159	0.5
291.21024	0.6
293.18967	0.6
293.22409	0.4
297.21887	0.5
299.20184	0.9
299.23633	0.8
301.25079	0.5
303.21051	0.6
307.23923	0.4
309.22031	0.9
311.19888	0.5
311.23590	0.6
313.21545	0.6
321.21933	1.6
321.25504	0.7
323.23630	1.5
325.21722	0.6
325.25262	0.7
335.23297	0.6
337.25104	1.2
339.23123	0.8
341.24844	0.5
349.24896	0.8
351.26721	1.3
363.26587	1.2
365.24512	0.7
365.28406	1.2
379.30090	0.8
381.27899	0.7
391.30142	0.8
407.28964	0.6
409.30927	0.6
447.32321	1.4
449.34003	0.8
461.33615	0.9
473.33044	0.6
495.35025	0.6
499.33713	0.6
499.40179	0.6
501.35867	0.7
513.35614	0.7
515.37213	0.9
517.40546	5.8
521.35596	0.5
525.35406	0.8
527.37402	0.8
535.41748	3.4
539.37408	1.4
541.38129	0.7
573.43103	0.8
591.44080	7.8
607.44171	2.4
609.45154	100.0
610.45410	4.5
619.43597	0.6
621.45056	1.4
625.43127	0.7
633.45081	0.9
651.46283	1.2
661.43945	0.6
693.47333	0.7
699.46332	1.2
717.47284	1.5
735.48505	2.1
753.49261	2.6
771.50452	22.0
772.51190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98355	0.3
55.01746	1.1
55.02034	0.9
55.05382	5.7
55.05686	3.9
55.84016	0.3
57.03304	1.8
57.03617	1.0
57.06966	0.8
57.07236	0.8
61.02787	8.2
61.03140	4.4
61.03357	0.5
63.78941	0.3
65.03828	0.8
65.04122	0.4
66.41990	0.4
67.05356	13.1
67.05762	5.4
67.49210	0.3
69.03276	4.8
69.03704	2.0
69.06916	5.8
69.07339	2.1
69.85822	0.8
69.86237	1.4
71.01221	0.7
71.04866	1.0
73.02761	5.0
73.03222	1.6
74.64010	0.4
77.03854	0.5
79.05330	9.7
79.05846	2.8
80.66011	0.4
81.03249	2.6
81.03778	0.8
81.06890	14.7
81.07426	3.9
81.07714	0.7
83.02804	0.4
83.04829	0.9
83.05246	0.4
83.08456	3.8
83.08989	0.9
85.02734	9.5
85.03311	2.2
85.06376	1.0
86.09589	0.7
86.10065	0.4
87.04347	0.4
91.03779	4.6
91.05303	9.6
91.05944	2.0
93.06862	12.0
93.07520	2.3
95.04803	1.1
95.08428	14.3
95.09102	2.5
97.02708	8.5
97.03407	1.7
97.06351	1.5
97.09986	1.6
99.04267	1.4
101.02196	1.9
103.05299	0.4
105.06844	10.5
105.07625	1.7
107.04797	0.9
107.08401	7.1
107.09184	1.0
108.23919	0.4
109.02682	1.0
109.06361	0.6
109.09962	5.9
109.10797	0.9
111.07938	0.8
115.03800	0.8
115.04521	0.4
115.05312	0.8
115.07344	0.3
117.06818	7.1
117.07719	0.8
119.08378	9.9
119.09328	1.2
121.06362	0.9
121.09941	5.1
123.07888	0.9
123.11475	1.4
125.09434	1.0
127.03707	1.8
128.06010	2.0
129.06790	8.8
129.07863	0.9
130.07582	0.6
131.08356	9.4
131.09406	0.7
133.09914	6.8
135.07887	0.7
135.11485	3.7
137.13068	0.9
139.10995	0.4
141.06770	4.7
142.07558	2.1
143.08344	9.6
143.09540	0.9
144.09122	0.6
145.04761	0.5
145.09909	10.3
145.11134	0.9
147.11458	4.3
149.09518	0.5
149.13025	1.8
153.06769	1.1
153.08868	0.4
154.07657	0.9
155.08327	7.9
155.09698	0.6
156.09164	1.1
157.09898	10.6
157.11281	0.8
158.10658	0.5
159.11699	6.5
161.13020	2.1
163.14629	0.7
165.06822	1.1
165.16335	0.4
166.07669	0.5
167.08330	4.5
168.09128	1.3
169.10144	11.1
170.10770	0.7
171.11703	8.4
173.09427	0.5
173.13263	5.1
175.11020	0.5
175.14577	2.0
177.16205	0.5
179.08368	1.3
180.09122	0.4
181.10136	6.2
182.10654	1.2
183.11700	11.2
184.07390	2.1
184.12379	0.6
185.13269	6.9
187.14793	2.3
189.16188	1.0
192.09126	0.6
193.10187	2.5
194.10732	0.8
195.11699	7.3
196.12294	0.5
197.13248	7.5
199.14827	4.2
201.16161	1.1
205.09911	0.8
205.15601	0.4
207.11745	3.2
208.12447	0.7
209.13283	6.1
210.13824	0.6
211.14842	5.0
213.16481	2.4
215.17857	0.9
218.10773	0.6
219.11551	0.8
221.13266	2.5
223.14836	4.6
224.15276	0.5
225.16411	3.5
227.17758	1.7
233.13028	1.0
235.14592	1.7
237.16418	2.9
239.18060	2.0
241.17555	0.8
241.19539	0.8
245.12991	0.4
247.14546	1.1
249.16180	1.3
251.17702	1.6
251.20027	0.5
253.19527	0.9
255.21043	0.7
257.18887	0.8
259.20413	0.5
263.17807	1.1
265.19284	0.8
267.17307	0.4
267.20959	0.7
271.20392	0.4
275.17621	0.5
277.19318	0.7
279.20834	0.7
281.18707	0.6
283.20267	0.7
293.22406	0.4
295.20331	0.6
297.21829	0.8
299.19763	0.4
299.23322	0.7
301.21579	0.4
307.20242	0.4
307.23871	0.5
309.21884	0.7
311.19879	0.5
311.23401	0.5
313.24707	0.5
319.20645	0.4
321.21863	0.9
323.23456	1.1
325.24924	0.5
327.22986	0.7
335.23398	0.9
337.25000	1.2
339.22888	0.7
339.26730	0.9
349.25153	0.6
351.26498	1.4
353.24576	0.5
363.26602	1.0
365.28506	0.7
374.46906	0.4
375.27228	0.5
377.28159	0.4
379.25467	0.6
379.29846	1.0
391.29840	0.7
393.31708	0.8
405.31711	0.8
407.29318	0.6
417.30988	0.4
421.30661	0.7
429.31268	0.5
444.00555	0.4
447.32526	0.8
461.33380	0.7
473.33591	0.5
475.34760	0.5
499.39526	0.9
501.35629	0.9
503.36209	0.4
513.35699	0.7
515.37579	0.8
517.40546	5.8
521.36505	0.5
525.35120	0.5
527.37457	1.0
535.41638	3.3
539.37091	2.0
540.38171	0.5
541.38971	1.2
567.40228	0.5
573.43396	1.0
575.40112	0.4
581.41663	0.5
591.44104	5.7
607.43427	2.1
609.45160	100.0
610.45325	4.7
611.46649	1.4
619.42505	0.5
621.44989	1.3
633.45313	0.8
643.43622	0.4
651.46399	0.9
699.46362	0.8
717.47382	0.8
734.29150	0.4
735.48242	0.9
753.49103	1.9
771.50568	21.5
772.51019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.9
57.03424	3.7
57.07061	1.4
61.02927	13.2
66.91959	0.8
67.05508	18.9
69.03437	6.2
69.07066	7.4
69.22630	9.6
71.01346	0.9
71.04977	1.6
73.02938	6.2
78.94059	1.0
79.05489	9.9
81.03407	2.8
81.07059	18.8
83.04990	1.1
83.08619	4.9
85.02498	1.0
85.02911	11.4
86.93569	0.9
91.03960	4.7
91.05479	12.7
91.06017	1.7
93.07056	13.3
95.04930	1.4
95.08614	16.8
97.02901	10.6
97.06532	2.0
97.10153	1.3
98.21624	1.6
99.08137	1.3
101.02372	1.7
105.07045	9.5
107.08598	9.3
109.06509	1.6
109.10149	7.1
117.07012	6.6
119.08582	9.2
121.10145	5.9
123.11734	1.4
127.03900	1.3
128.06229	2.3
129.07036	6.8
131.08577	9.9
133.10158	8.9
134.08340	0.9
135.08098	1.0
135.11681	4.9
141.06985	3.9
142.07794	1.9
143.08575	9.0
145.10139	9.5
147.11699	4.4
149.09602	1.3
149.13263	2.7
150.55319	1.0
153.07033	1.4
155.08575	7.8
156.09312	1.4
157.10130	12.7
159.11736	6.6
161.13217	2.6
167.08591	3.4
169.10121	9.1
170.10881	1.0
171.11693	8.7
173.09537	1.1
173.13271	5.4
175.14801	1.5
177.05499	1.6
179.08549	1.3
181.10168	6.2
182.10983	1.4
183.11723	10.6
185.13263	7.0
187.14850	3.8
189.16391	1.0
193.10127	2.1
195.11665	6.5
197.13277	7.6
199.14804	3.9
201.16402	1.6
207.11754	2.8
209.13304	5.0
211.14877	5.2
213.16371	2.9
221.13271	1.6
223.14896	3.9
225.16357	3.4
227.18117	1.5
235.14804	1.3
237.16380	2.6
239.17845	2.8
241.19679	1.4
247.14713	1.1
249.16356	2.2
251.17865	1.3
263.18094	1.2
297.22235	1.3
337.25351	1.0
427.20624	1.0
447.32690	1.8
501.36130	1.3
517.40485	6.9
521.36237	1.2
535.41199	2.7
539.37384	2.0
591.44104	6.1
607.43555	1.9
609.45129	100.0
610.45251	4.3
621.44916	1.5
633.44415	1.1
651.46240	1.7
735.48370	1.4
743.86896	1.1
753.48785	2.2
771.50562	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	772.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.8
57.07040	0.1
58.06632	0.4
59.07402	0.2
60.08165	6.3
63.21121	0.1
70.06604	0.2
70.72626	0.2
70.72961	0.2
71.07377	3.4
78.95009	0.1
81.07048	0.1
86.09708	30.5
87.10020	0.1
93.07110	0.1
98.98470	3.3
104.10746	1.9
111.89367	0.1
114.30135	0.1
125.00008	20.4
143.01009	0.1
166.02657	0.2
184.07344	100.0
185.07716	0.6
188.45824	0.1
224.12971	0.1
305.19138	0.1
305.37021	0.1
369.40143	0.1
639.51422	0.1
754.53760	6.1
755.53217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.8
57.03450	2.2
57.07086	0.6
61.02930	6.4
65.03963	0.5
66.15231	0.4
67.05508	4.3
69.03432	3.8
69.07069	2.5
71.01363	0.7
71.05000	0.8
73.02921	4.2
73.90525	0.4
79.05508	2.6
81.03429	1.5
81.07069	4.7
81.21635	0.4
83.08623	1.7
85.02908	6.7
86.09698	1.2
87.04440	0.4
91.03964	4.2
91.05500	1.7
93.07046	4.0
95.08618	4.1
96.38976	0.4
97.02895	5.3
97.10172	1.1
99.04452	0.9
101.02412	2.4
101.52232	0.3
105.07047	1.1
106.61951	0.4
107.08573	1.9
109.02885	1.8
109.10176	1.5
111.21775	0.4
119.08587	0.7
121.10147	2.6
123.11682	0.6
125.00034	1.2
127.03939	1.6
127.60851	0.4
131.08588	0.4
135.11716	1.6
145.04947	0.7
147.11751	0.5
153.24780	0.4
184.07343	4.1
185.04211	0.4
203.05202	0.5
229.26694	0.5
243.08440	1.9
311.25717	0.6
313.74075	0.5
335.26019	0.7
451.95886	0.5
474.03204	0.4
495.29361	4.1
519.29297	8.6
773.51764	100.0
774.52155	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	773.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56274	2.1
54.88140	2.4
55.01866	4.5
55.05512	27.9
57.03432	11.2
57.07067	3.5
58.34460	2.5
61.02929	14.0
65.03934	3.9
66.71646	2.4
67.05510	100.0
67.05876	5.3
69.03434	10.9
69.07077	25.2
71.04971	3.9
71.08599	2.5
71.47816	5.1
73.02929	6.5
79.05495	72.2
81.03430	8.1
81.07062	85.7
83.04966	3.8
83.08640	13.6
85.02901	13.3
86.09698	5.0
91.03966	5.6
91.05486	73.8
93.07052	96.1
93.07635	5.7
95.04979	8.5
95.08614	77.7
97.02898	10.7
97.06535	7.2
97.10152	4.3
99.04459	4.0
99.08138	3.1
105.07040	64.1
107.04951	4.7
107.08599	45.9
109.06551	3.1
109.10152	31.0
111.08099	2.5
117.07031	26.0
119.08582	57.1
121.10168	40.3
123.11716	8.1
127.03891	2.7
128.06218	4.8
129.07004	15.0
130.07782	3.3
131.08578	39.4
133.06471	2.6
133.10141	52.1
135.11697	28.9
137.09575	2.6
141.06979	3.2
143.07545	3.1
143.08546	16.3
145.10133	35.6
145.13489	2.5
147.07996	3.2
147.11699	36.4
149.13240	16.9
155.08554	4.7
157.10124	21.5
159.11723	31.0
161.09607	3.2
161.13280	29.7
163.11145	3.7
163.14827	6.8
167.08549	3.6
169.10110	6.9
171.11665	17.4
173.13322	17.7
175.11307	2.8
175.14778	12.4
183.11697	9.4
184.07367	11.9
185.09631	2.9
185.13326	14.1
187.14842	10.6
197.13295	8.4
199.14848	8.7
201.16397	4.7
211.14917	4.8
213.16371	2.7
231.21082	6.1
239.17886	3.6
241.19522	21.9
257.19016	7.5
259.20624	50.0
261.22159	10.0
301.21854	4.1
315.23138	4.3
333.24243	39.9
335.25809	89.0
337.27490	4.7
339.23364	3.1
367.22742	3.2
393.26291	3.1
403.43402	3.5
441.26514	3.2
519.41608	5.2
593.45569	14.1
611.46808	99.7
612.46857	5.9
701.47229	6.2
719.49432	2.9
737.49921	4.9
755.51392	3.9
773.50494	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	41.2
57.03440	11.8
57.07078	12.4
57.39414	7.2
60.72502	7.9
60.96362	7.9
61.02915	11.4
67.05508	78.1
69.03434	10.8
69.07069	34.5
70.16096	33.0
73.47146	8.2
79.05490	60.2
81.07053	94.7
83.08615	12.0
89.06037	15.9
91.05474	54.0
93.07059	80.2
95.04987	8.7
95.08598	48.3
105.07049	59.6
107.08589	42.1
107.96813	9.2
109.10172	32.1
110.05923	7.4
117.07034	26.1
119.08591	51.7
121.10136	37.0
129.07002	10.3
131.08565	36.0
132.87700	7.5
133.10153	49.8
135.11694	25.9
143.08592	12.4
144.11906	8.0
145.10159	33.1
147.11697	38.1
149.13245	13.2
157.10149	20.3
159.11726	31.7
161.13280	25.2
171.11760	11.4
173.13219	19.9
175.14879	11.1
185.13321	14.4
187.14890	17.4
199.14920	13.9
229.10341	10.4
241.19586	22.6
259.20584	50.1
311.29440	17.3
312.29788	22.7
333.24280	36.1
335.25830	53.9
337.27606	11.0
353.43549	11.1
354.28848	7.7
611.46759	100.0
737.49353	10.4
755.00269	9.1
773.49506	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	773.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.6
55.05516	28.7
57.03443	14.1
57.07071	5.7
61.02929	13.3
64.12650	1.9
65.03945	4.3
67.05509	85.0
69.03437	10.1
69.07075	27.9
71.05000	3.2
71.08643	3.1
73.02913	6.8
76.48731	1.9
79.05499	70.8
81.03427	8.2
81.07061	89.4
83.04993	5.1
83.08619	16.8
84.04887	1.9
85.02923	12.6
85.06526	4.6
86.09699	3.5
91.03944	5.2
91.05489	60.9
93.06465	4.7
93.07053	78.1
95.04955	9.3
95.08614	72.5
97.02894	9.1
97.06532	5.2
97.10167	8.1
98.21539	4.8
99.08105	2.9
101.02391	2.1
103.05430	2.9
105.07038	66.2
107.08601	48.2
109.06496	4.5
109.10168	29.7
110.89709	1.8
111.08031	4.6
111.11670	2.0
113.09661	2.4
115.05436	2.4
117.07037	23.6
119.08598	54.9
121.10165	38.6
123.08098	3.0
123.11707	6.4
124.99989	2.7
125.09634	2.9
127.03883	2.3
128.06223	4.6
129.07002	17.4
130.07835	2.8
131.08575	41.4
133.10139	41.6
135.08029	2.7
135.11697	27.2
137.13275	3.2
140.23659	1.9
141.06989	3.9
142.07779	5.0
143.08578	14.9
144.09274	2.2
145.10139	36.1
147.11714	33.2
149.09622	3.1
149.13225	13.5
155.08563	8.7
157.10155	15.9
159.11723	29.3
161.09657	2.8
161.13272	32.6
163.14857	4.8
167.08467	2.9
169.10085	10.4
171.11674	18.0
173.13306	19.3
175.14850	19.3
177.12744	2.8
181.10168	4.1
183.11678	6.2
184.07404	11.7
185.13254	12.3
187.14839	9.4
189.12709	3.4
189.16278	2.5
195.11664	4.7
197.13252	4.9
199.14815	9.8
201.16432	3.9
211.14909	4.4
213.16418	3.8
215.18024	4.3
217.19554	2.4
219.70305	2.2
223.14818	2.2
225.16423	3.1
227.17961	2.4
229.16997	3.0
231.21100	6.4
241.19563	22.7
243.21170	2.7
251.20039	4.1
257.19046	7.8
259.20554	46.7
261.22162	7.2
285.22226	2.4
301.21780	2.7
302.07471	2.5
315.22992	3.3
325.21579	3.2
327.66708	2.0
331.22794	4.2
333.24268	34.5
335.25809	77.6
337.27505	2.8
353.28445	2.2
367.22733	6.5
441.26221	3.1
485.39899	5.0
519.42004	6.0
526.72424	2.1
593.45868	11.0
609.45026	5.2
611.46716	100.0
612.47064	5.0
635.46191	2.9
692.36395	2.5
701.47363	3.7
719.48462	3.0
737.49384	4.6
755.50873	8.3
773.52826	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	774.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
55.05513	18.2
57.03438	10.1
57.07088	2.3
61.02925	3.0
62.11723	1.7
67.05511	74.2
69.03427	2.4
69.07077	20.0
71.04998	39.9
71.91338	1.3
73.06560	1.6
77.03917	1.6
79.05497	48.9
80.04144	1.3
81.03426	4.9
81.07066	100.0
83.04983	4.7
83.08637	13.0
85.02869	3.0
85.06535	8.5
86.09703	3.4
91.03986	1.5
91.05489	67.1
93.07053	58.1
95.04986	5.4
95.08611	30.2
97.02896	1.4
97.06536	10.2
97.10160	4.5
97.96937	1.4
99.08101	2.6
101.06090	1.5
101.07362	1.3
103.05490	1.9
105.04548	1.8
105.07041	60.5
107.04921	1.7
107.08606	33.5
109.06535	2.8
109.10169	14.8
111.08070	4.4
113.09598	1.5
115.05457	1.4
117.07029	21.8
119.08593	38.2
121.06490	2.2
121.10156	19.3
123.08093	2.3
123.11723	12.4
125.00017	2.3
125.09624	6.7
129.05470	1.7
129.07024	11.5
131.08578	26.3
133.10139	47.4
135.08020	1.8
135.11707	16.2
137.09555	1.6
139.11176	4.4
141.07002	1.5
142.07774	2.9
143.08588	10.0
145.10133	18.6
147.11687	26.5
149.09621	2.3
149.13289	11.4
151.11198	10.7
155.08606	4.3
157.10149	11.0
159.11699	21.0
161.09555	1.6
161.13293	12.2
163.11140	2.4
163.14900	1.6
165.12785	1.8
167.08562	2.0
169.10138	6.5
171.11679	14.8
173.04501	3.1
173.13313	10.2
175.14853	5.0
175.65398	1.3
177.12737	4.2
182.21068	1.5
183.11700	5.9
183.13800	2.2
184.07365	13.2
185.13274	8.1
187.13274	3.6
187.14859	4.3
193.12270	1.7
195.11752	2.8
195.13803	1.9
197.13293	3.3
199.14911	4.9
201.14897	2.1
209.11383	1.3
209.13292	4.4
211.14833	2.7
213.16533	1.6
221.13280	2.0
223.15033	2.0
227.16365	2.0
231.21136	3.2
241.19591	9.5
243.15965	6.5
257.17505	5.3
259.20679	30.5
267.16046	2.8
269.17325	6.6
289.21646	2.7
297.22195	1.7
299.18481	3.3
301.20108	26.8
315.23087	8.7
333.24298	34.3
335.25781	3.1
341.24744	1.7
347.10727	1.3
379.99182	1.7
391.29922	1.7
402.26495	1.2
409.31000	5.1
415.28464	1.5
417.31155	1.5
420.47162	1.3
427.32040	2.1
435.32590	5.8
445.24039	1.7
447.32388	1.5
453.33963	2.9
480.09830	1.4
483.34644	7.6
501.35788	93.2
502.36185	3.3
503.37210	4.7
509.36597	8.5
515.37292	2.2
527.37347	68.2
533.38574	10.3
545.38367	13.1
559.40027	31.1
577.41284	2.3
671.41205	1.9
689.42511	2.9
706.59796	1.7
774.40631	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	775.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96290	1.1
56.96567	21.8
59.08854	0.9
71.04995	1.7
74.97616	1.4
78.38401	0.8
81.03410	1.1
84.96040	7.5
85.02904	2.0
91.05539	0.9
93.51550	0.9
98.97588	68.1
107.08592	0.9
110.97578	13.1
112.99129	4.3
115.00752	1.2
116.98631	21.6
119.01859	0.9
121.06519	2.3
123.01226	1.4
124.99144	2.1
126.97073	2.8
127.00706	1.8
128.98618	10.5
129.02216	3.7
131.00197	3.6
134.99666	3.7
135.11703	1.4
137.02759	1.4
139.00665	1.7
140.98601	3.8
141.02242	2.2
143.00165	6.4
143.03798	1.2
144.98076	3.2
145.01720	1.8
145.07019	0.9
146.99660	3.6
147.03293	2.6
149.01154	1.4
152.98663	2.9
153.06604	1.2
153.12741	6.2
155.00194	1.3
155.01920	0.9
155.03777	2.3
155.05562	1.0
157.01711	1.3
157.03458	1.3
157.05411	3.2
158.99651	13.6
159.03299	2.2
161.01251	3.3
161.04797	1.0
162.99286	1.7
163.00645	6.9
163.04051	1.4
170.99680	5.9
173.01215	2.4
173.04912	2.1
173.06624	1.3
175.06454	5.1
177.00739	9.3
177.02234	1.4
181.01733	5.2
183.03426	1.3
183.07001	2.0
183.08578	0.9
187.04567	0.9
189.00722	3.5
191.09106	1.0
193.01712	4.9
193.07497	1.0
195.03305	11.7
197.10274	0.8
199.02794	0.7
199.06442	4.0
201.00702	6.4
201.04375	1.3
201.07982	1.9
207.03329	3.5
209.08534	2.7
209.10268	9.5
211.02838	3.2
211.06487	2.5
213.04350	8.6
215.11267	0.8
215.73367	0.9
217.07507	2.6
219.01755	38.8
221.05020	1.1
223.02814	3.2
225.07932	1.5
225.09882	1.0
227.09537	27.3
227.11386	14.6
229.07483	5.7
237.02467	28.0
237.04593	10.1
237.07991	1.6
244.04298	1.0
245.10536	14.7
245.12421	27.3
249.04208	0.9
250.12967	1.2
251.09555	9.5
255.05424	3.2
255.09035	1.7
259.06680	7.6
261.04358	1.1
263.05682	1.1
263.13715	1.0
265.03845	1.6
265.07574	1.0
269.10608	72.0
270.11078	1.1
273.04254	1.0
279.05515	7.5
281.10696	1.4
283.09402	1.3
283.12143	7.0
287.11581	24.8
291.05313	1.7
297.06458	1.4
297.10144	1.7
299.13535	1.4
301.13177	1.8
307.08588	0.9
310.13324	2.9
311.11603	20.2
315.11230	1.2
329.12732	8.0
339.07526	100.0
340.07715	2.6
341.08902	1.3
341.12616	5.9
343.14301	3.8
357.08582	65.6
358.09076	1.0
371.13937	1.8
373.18335	19.9
380.10202	1.2
381.08588	75.6
382.09088	1.8
387.13388	1.8
389.16434	44.7
399.09628	18.9
407.15927	23.6
425.07468	22.8
425.12463	3.0
427.12720	1.2
430.18039	1.0
431.15875	15.7
449.16962	12.4
731.28174	4.8
775.28723	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	775.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79945	1.8
56.96326	2.1
56.96569	24.2
71.95285	1.8
81.07034	2.1
84.96033	5.7
98.97589	85.2
99.06828	1.6
110.97581	24.8
112.99145	27.7
116.98634	28.2
124.99113	6.3
128.98621	19.0
131.00180	42.1
134.99629	6.5
140.00188	4.5
140.98593	6.4
143.00163	18.5
146.99635	6.3
149.01233	34.2
152.98611	4.4
154.01761	2.6
155.00093	2.4
158.01266	2.2
158.99669	43.8
161.01233	9.2
166.01729	3.4
167.02324	7.1
170.99666	48.8
172.02797	4.4
173.01221	12.4
175.02782	2.4
177.00729	25.6
182.99695	2.8
184.02788	1.9
185.01245	11.3
189.00716	32.5
191.02318	10.1
194.99640	3.6
195.01630	2.0
199.02806	8.4
200.02365	4.0
201.00684	14.0
203.02176	7.7
212.02327	5.6
213.00793	6.0
215.02237	2.8
217.03831	7.6
219.01785	22.0
227.02423	4.0
231.01738	6.6
233.03345	4.0
235.23793	2.0
237.02840	10.4
242.03456	4.5
261.02841	31.6
275.04373	11.6
276.38437	1.6
279.03906	26.2
287.04938	1.7
291.03787	5.7
293.05460	41.8
297.04974	8.0
302.05472	5.2
309.04922	3.9
311.06635	10.0
316.07211	4.0
317.17874	35.5
321.04953	100.0
332.17230	1.7
334.08063	4.6
335.18869	7.8
339.05978	4.8
358.20538	3.4
362.07495	5.1
363.05936	3.2
381.06934	6.9
437.09644	29.6
455.10733	48.8
539.25159	6.6
553.26459	7.5
715.32159	74.3
753.21277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11129	0.9
67.05491	2.6
69.24809	4.2
69.25242	4.3
81.07076	1.9
91.05438	0.9
93.07042	1.5
95.08618	2.0
104.10764	2.1
105.90022	0.9
107.08606	1.4
121.06500	0.9
184.07407	3.1
202.07121	0.9
228.90921	1.0
295.94858	1.0
335.25851	1.9
406.29596	1.0
431.38071	1.1
775.40332	100.0
776.40967	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	778.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
61.02919	0.3
65.03937	1.2
69.03436	0.5
69.46446	0.7
79.05519	0.2
81.03434	0.3
81.07053	0.4
85.02909	1.6
91.05484	18.3
92.05820	0.2
95.01334	0.1
97.02895	0.6
98.21526	0.2
107.04941	0.2
109.02883	0.1
109.06513	1.1
111.04427	0.3
119.04951	11.1
120.05302	0.2
121.02864	0.7
123.00796	0.6
126.78513	0.1
127.03900	0.3
135.04436	0.3
137.05983	100.0
138.06326	0.9
139.03943	0.1
145.02907	0.1
145.04973	0.3
149.02348	1.5
153.05469	0.3
155.03438	0.3
163.03908	0.6
163.06059	0.1
163.07405	0.1
164.41591	0.1
165.05534	0.2
167.03394	1.3
179.07053	1.5
181.04962	4.2
191.03395	1.6
205.04942	0.2
209.04453	0.8
211.07869	0.1
223.06018	5.5
241.07103	0.2
251.05545	0.1
265.07089	1.9
283.08182	1.0
345.05756	0.2
345.09686	2.1
387.10760	0.5
405.11771	0.2
419.13391	1.0
709.31561	0.1
805.07269	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	778.5379
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05043	0.9
58.06631	0.4
60.08166	6.1
67.05510	0.2
69.83944	0.3
69.84341	0.2
70.06620	0.1
71.07376	4.0
79.05518	0.2
86.09708	32.9
87.10017	0.2
87.47154	0.1
89.57964	0.1
91.05506	0.1
92.30128	0.1
93.07038	0.2
95.08659	0.1
98.98468	3.6
104.10742	2.2
104.11404	0.1
125.00010	22.9
143.01103	0.2
166.02748	0.1
184.07346	100.0
185.07704	0.4
267.02469	0.1
500.30865	0.1
518.32385	0.2
778.53979	2.8
779.53601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
55.05514	1.0
57.03437	1.7
61.02929	4.2
67.05508	4.6
69.03438	2.9
69.07091	1.3
71.01364	0.6
71.05003	4.0
71.57653	0.3
73.02924	3.3
79.05490	3.1
81.03432	1.0
81.07063	5.2
83.04989	0.6
83.08644	0.7
85.02911	4.8
85.06561	0.5
86.09710	1.8
87.04461	0.6
91.03968	2.6
91.05479	4.3
91.05994	0.3
93.07047	4.9
95.08615	2.1
97.02902	4.1
97.06573	0.6
99.04498	0.9
101.02401	1.6
105.07035	2.5
107.08588	2.8
109.02869	0.6
109.06500	0.3
109.10179	0.9
111.08130	0.3
115.03905	0.4
117.07053	0.8
119.08618	1.5
121.10185	1.2
123.08084	0.4
123.11732	1.3
125.00027	1.1
127.03920	1.5
129.06989	0.4
131.08600	1.0
133.10136	2.6
135.11746	1.3
143.08522	0.3
145.10101	0.3
147.11725	0.9
149.13333	0.9
151.11240	0.9
159.11749	0.8
161.13272	0.4
162.69792	0.3
165.12784	0.3
172.28426	0.3
177.12906	0.3
183.13861	0.4
184.07350	4.8
185.04308	1.1
185.07762	0.4
187.13306	0.4
201.03830	0.3
203.05243	0.7
204.46149	0.3
241.06792	0.3
243.08397	3.1
257.17572	0.9
259.20743	0.4
267.15710	2.2
284.78207	0.3
301.09042	1.2
311.97717	0.2
315.10690	0.9
317.21158	0.5
323.18472	0.5
330.91779	0.2
373.11316	0.7
383.16321	0.3
385.18491	0.3
397.18549	0.3
437.21423	0.5
441.20840	0.6
453.21475	0.8
465.21112	0.8
485.23569	10.3
485.30652	0.6
501.23102	0.3
535.28851	6.1
557.25781	1.2
599.30695	0.5
606.96997	0.3
641.35168	0.6
681.38794	0.4
709.38550	0.4
724.22577	0.3
779.45532	100.0
780.45691	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	780.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
55.98017	0.1
56.05042	0.8
58.06632	0.4
59.07404	0.2
59.86716	0.1
60.08168	5.7
67.05513	0.7
69.07082	0.2
70.06599	0.2
70.73457	0.3
71.07380	3.1
75.16819	0.1
79.05495	0.4
81.07057	0.7
86.09711	30.2
87.10046	0.3
91.05464	0.2
93.07066	0.3
95.08611	0.6
98.98476	3.0
104.10751	2.0
105.07059	0.2
107.08597	0.3
109.10183	0.2
119.08572	0.3
121.10147	0.3
123.11742	0.3
125.00013	20.7
143.01064	0.2
166.02705	0.3
184.07352	100.0
185.07787	0.6
323.25751	0.4
335.25674	0.3
583.47095	0.2
707.31311	0.2
780.41742	0.2
780.55438	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	781.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.0
57.07085	2.8
67.05223	0.4
67.05518	4.2
69.03424	1.6
69.07061	1.6
69.49586	0.9
69.49984	2.4
70.06606	0.5
71.04997	1.9
71.25255	0.4
79.05495	1.3
81.07044	0.7
82.06465	0.4
83.04980	4.9
85.02927	2.2
85.06546	100.0
86.06875	0.6
91.05486	1.1
93.07036	3.2
95.04975	6.4
95.08604	2.1
97.02885	2.1
97.06530	7.3
98.97564	0.4
103.07593	3.9
105.07039	0.7
105.40428	0.4
107.08609	0.7
109.06545	0.8
109.10167	2.4
111.04497	0.7
118.95599	0.3
121.06502	0.9
121.10138	2.7
123.00826	0.5
123.04427	4.1
123.08061	3.0
125.02358	14.5
127.03867	0.5
131.08546	1.0
137.05972	2.8
137.09613	0.5
139.03906	2.3
139.11180	7.5
141.01855	0.6
141.05498	1.1
147.04416	1.1
149.09596	4.4
151.03906	7.0
155.07021	0.5
165.05464	3.9
167.03403	2.9
167.10681	32.9
168.11000	0.4
169.04976	1.4
175.03951	0.5
183.06555	0.7
188.18987	0.4
193.05045	0.9
193.07060	0.4
206.56282	0.4
211.06013	21.1
229.07133	4.5
243.08647	17.6
257.10254	2.8
318.68591	0.5
329.15845	0.6
341.15948	1.6
354.33142	0.4
359.17010	20.2
360.17114	0.4
377.08600	1.1
377.18094	1.1
427.12149	0.8
451.69949	0.4
547.16827	0.4
590.03473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
55.05498	4.4
56.90984	0.8
57.03418	1.6
65.03929	1.9
67.05513	14.9
68.16718	1.0
69.03428	4.6
69.07068	2.7
71.04989	1.1
79.05497	8.6
81.03432	6.0
81.07071	13.9
83.04970	1.4
83.08624	2.4
84.22095	0.9
85.02893	3.4
86.09706	1.4
91.05486	11.3
93.07046	8.4
94.04175	3.0
95.04955	2.9
95.08601	11.4
97.02887	3.1
97.06535	1.2
98.50210	0.9
103.03912	1.3
103.05449	2.8
105.04546	1.0
105.07047	7.9
107.04890	1.2
107.08625	7.1
109.02892	1.4
109.06505	2.2
109.10142	4.0
111.04408	1.4
115.03983	1.3
115.05440	3.1
117.07011	6.1
119.04951	1.8
119.08595	7.1
121.10183	5.6
121.67115	0.9
122.03684	7.1
123.11712	2.3
123.89775	0.9
127.03897	2.1
128.06226	2.0
129.07014	7.0
131.04929	4.9
131.08556	8.3
133.06512	1.5
133.10081	4.7
135.11688	3.9
137.05986	100.0
138.06389	1.3
141.07030	2.2
143.04901	3.8
143.08578	2.8
145.06442	2.6
145.10132	4.8
147.04337	2.1
147.11699	4.0
149.05991	1.7
149.13252	2.6
151.03918	26.8
151.05028	2.0
151.07520	6.3
157.06512	6.6
157.10123	2.7
158.07205	1.6
159.08057	1.9
159.11641	4.9
160.05183	3.6
161.05951	2.8
161.09624	1.4
161.13254	2.4
163.07550	4.0
165.05484	2.7
169.06433	2.2
169.10129	1.5
171.08041	1.5
171.11627	1.3
173.13307	2.3
174.06729	5.2
175.07567	14.1
175.11206	1.3
177.16486	1.1
179.07071	1.5
184.07350	4.5
185.07713	1.1
185.09711	1.0
186.06750	1.8
187.07549	10.3
187.14812	1.0
189.09137	13.1
191.07025	1.3
191.10703	1.5
193.04852	1.1
197.06000	1.2
199.07475	1.7
201.09097	6.0
203.06898	2.0
203.08612	2.4
203.10538	1.9
205.08530	3.7
211.07578	1.8
213.09122	1.3
213.12836	1.1
215.10609	1.5
217.08578	3.5
219.08075	2.4
219.10149	20.8
225.09171	1.8
227.06944	1.1
231.08044	3.4
235.07516	1.1
237.08980	1.6
241.19601	1.1
247.07497	2.6
248.08340	3.1
251.10681	1.0
254.52187	1.1
257.19046	1.3
259.07593	1.1
259.20456	2.2
261.09045	3.3
261.22177	2.5
263.10645	3.3
265.08798	1.3
270.08862	2.4
271.09604	1.8
276.07782	2.0
277.08609	4.0
277.21545	2.9
279.10077	3.1
283.09601	1.6
289.08691	1.1
291.10120	8.2
301.21500	1.4
308.10388	2.3
309.11285	4.2
311.12769	2.6
321.11185	6.4
323.12756	6.2
325.14236	4.2
335.12485	1.6
339.12292	6.0
341.13843	16.6
341.24692	1.3
343.15363	1.3
357.13388	16.9
365.13947	1.4
367.22720	2.0
383.15070	1.1
385.23770	2.8
403.24661	3.4
405.26514	1.7
421.25983	4.6
452.19220	1.0
691.40326	1.4
712.63831	1.1
745.39063	2.2
763.39545	2.8
781.41199	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	781.4734
Annotation	ACUTOSIDE A
Peak:m/z	Relative Intensity
55.01867	0.5
55.05510	1.4
57.03429	0.8
57.07071	0.6
61.02930	1.0
67.05511	2.1
69.03434	2.8
69.07073	3.1
70.06606	0.3
71.05002	0.3
71.09495	0.2
71.09818	0.3
73.02911	0.5
76.01757	0.2
79.05495	1.8
81.03431	1.5
81.07066	6.2
83.04996	0.2
83.08639	1.3
85.02909	9.9
85.06488	0.2
87.04477	0.4
91.03942	0.3
91.05485	2.2
93.07051	5.6
95.04986	0.9
95.08614	11.9
97.02900	2.6
97.06552	0.4
97.10192	1.0
99.04442	0.5
101.78767	0.2
103.05453	0.3
105.06382	0.3
105.07040	4.7
107.04893	0.2
107.08603	8.6
109.02890	1.0
109.06520	0.6
109.09457	0.4
109.10164	5.9
111.08092	0.4
111.11716	0.5
117.07014	0.5
119.04942	0.3
119.08588	5.8
119.09434	0.3
121.06488	1.1
121.10151	7.3
121.11028	0.4
123.08104	0.9
123.11712	4.3
125.09623	0.8
127.03918	1.5
128.06219	0.2
129.06998	0.5
131.08583	1.7
133.06511	0.3
133.10143	5.0
135.08064	1.1
135.11696	5.2
137.05981	0.9
137.09630	0.6
137.13272	1.1
139.07527	0.3
139.11197	0.2
143.08568	1.3
145.05000	1.3
145.06523	0.2
145.10141	2.3
147.04390	0.2
147.08049	0.7
147.11687	3.1
149.09669	1.1
149.13257	5.6
151.11188	0.3
151.14819	0.6
155.08589	0.5
157.10141	2.1
159.08055	0.3
159.11697	2.4
161.09633	1.7
161.13248	2.6
163.03964	0.3
163.06029	0.3
163.11218	0.5
163.14815	2.2
165.05571	0.2
167.07059	0.2
168.85350	0.2
169.10178	0.7
171.11720	1.4
173.09642	0.6
173.13260	2.2
175.11209	1.1
175.14848	2.5
177.05513	0.3
177.12740	0.4
177.16399	2.4
179.14296	0.3
183.11736	0.7
185.13263	1.3
187.11195	0.8
187.14864	2.3
189.12746	0.9
189.16406	2.8
191.14342	0.3
191.17987	2.1
195.11716	0.4
197.13269	1.1
199.14799	1.4
201.12778	0.6
201.16373	2.4
203.14355	0.7
203.17953	1.9
205.15965	0.3
207.17520	0.3
209.13237	0.3
209.57988	0.2
211.14792	0.6
213.16344	1.1
215.14323	0.5
215.17989	1.1
217.15907	2.9
217.19318	0.4
219.17445	2.3
220.06149	0.2
221.19038	0.6
223.14922	0.5
224.15752	0.2
225.16432	0.7
227.14233	0.2
227.18004	1.1
229.15903	0.4
229.19559	0.7
231.17458	0.7
231.20979	0.2
233.19119	0.2
235.16911	0.3
237.16406	0.3
239.18040	0.8
241.19481	1.2
243.21164	0.5
245.18994	0.5
247.16943	0.3
249.18466	0.4
251.17989	0.3
253.19615	0.6
255.21123	0.7
257.19012	0.8
257.22632	0.2
259.20657	0.3
265.19595	0.5
267.21133	1.4
271.20502	0.5
275.20093	0.4
281.22684	0.4
283.20581	0.6
283.24048	0.3
285.22147	2.4
289.21591	0.6
293.22803	0.6
299.23773	0.8
303.23273	0.3
307.24280	0.6
311.23761	0.7
319.24069	0.3
325.25336	1.0
333.75629	0.2
337.25186	0.4
343.26376	0.5
347.27393	0.3
351.26868	0.3
355.26474	0.4
369.27753	0.5
391.33267	0.3
403.33490	1.4
409.34708	0.9
421.34686	6.7
422.35144	0.2
439.35739	100.0
440.36151	2.9
457.36807	16.9
458.37280	0.4
601.41016	6.6
602.40967	0.2
619.41772	1.0
781.43829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
55.05501	2.8
57.03429	5.6
57.07066	1.0
60.08167	0.8
61.02931	5.9
62.11724	0.9
67.05506	3.4
69.03432	15.0
69.07076	4.1
71.04985	3.0
71.08599	1.0
71.18149	1.1
71.58574	1.1
73.02898	2.0
73.55447	0.9
79.05497	3.2
81.03404	4.9
81.07063	10.4
83.08628	3.1
84.44299	0.9
85.02909	100.0
87.04470	2.0
91.03946	2.8
91.05505	2.8
93.07050	8.0
95.08617	22.8
97.02899	26.6
97.10188	1.6
99.04468	3.3
102.29079	1.0
103.03944	1.1
105.07060	7.5
107.08598	14.3
109.02886	8.1
109.10172	14.3
111.08111	3.0
119.08578	10.1
121.06538	1.4
121.10153	14.9
123.11738	7.6
125.09671	2.2
127.03928	22.0
131.08589	3.0
133.10135	10.4
135.11722	10.1
137.09612	1.2
137.13257	2.2
139.11256	1.5
143.08617	2.2
145.04974	34.9
145.10143	3.9
147.11697	8.6
149.13255	8.9
157.10097	2.7
157.33043	0.9
159.11693	3.5
161.13234	5.2
163.03920	1.1
163.06029	13.4
163.14813	3.6
171.11717	1.6
172.38480	0.8
173.13310	3.8
175.14847	4.3
177.05470	1.1
177.16374	11.2
184.07408	1.8
185.07764	1.1
185.13287	1.2
187.14845	5.6
189.16388	7.7
191.14281	1.2
191.17848	5.8
193.15901	1.3
201.16377	4.0
203.17976	11.3
203.36363	1.0
205.15875	15.1
205.19493	2.7
206.16370	0.9
206.96634	0.9
207.17473	4.6
213.16406	1.1
215.17870	5.5
217.19493	5.5
221.19002	4.9
229.19479	2.6
233.19046	4.8
235.20595	2.3
243.21092	1.2
245.19051	1.3
257.22879	0.9
269.22702	1.4
287.05490	1.7
325.11301	2.2
327.26862	1.8
359.60104	1.0
389.69699	0.9
393.35327	1.1
397.35056	1.0
405.35361	6.5
409.65997	1.1
411.36255	10.0
423.36279	29.4
424.36688	2.1
441.37491	14.6
780.14819	1.1
783.35583	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.9
57.03439	26.9
57.07064	2.2
57.48161	1.0
59.04986	1.6
61.02932	8.2
67.05521	8.6
69.03435	30.9
69.07081	8.6
70.70323	2.3
70.70647	1.4
71.01334	3.9
71.04977	2.0
73.02922	51.7
79.05499	7.2
81.03412	4.1
81.07060	18.9
83.04961	1.0
83.08631	4.9
85.02908	45.2
87.04469	2.8
91.03945	1.3
91.05478	9.3
93.07052	17.7
95.08611	42.0
97.02898	42.4
97.06516	1.4
97.10166	3.8
99.08095	5.2
103.03925	1.7
105.07038	21.4
107.07860	2.1
107.08596	37.4
109.02865	4.6
109.09458	1.7
109.10163	23.7
111.08098	1.7
115.03935	29.0
117.07005	1.3
119.08585	35.6
121.06486	4.4
121.10153	30.5
123.08010	1.2
123.11727	6.4
127.03903	11.3
131.08568	14.0
132.06552	2.0
133.04974	9.5
133.10139	30.2
135.04425	1.8
135.08043	1.2
135.11694	21.9
137.05962	1.9
137.09599	1.5
137.13248	2.7
140.52449	1.1
143.08591	1.7
145.02795	1.7
145.04945	13.0
145.10129	18.0
147.11691	28.3
149.09563	1.3
149.13269	16.2
150.07626	4.9
151.11212	2.4
153.09151	1.7
157.10133	4.0
159.11685	18.3
161.13237	16.2
162.07649	2.5
163.03920	7.4
163.06009	2.8
163.11169	6.7
163.14818	15.8
171.11691	2.4
173.13306	8.8
175.14850	14.5
177.05478	2.0
177.16403	19.8
179.14308	3.5
180.08714	15.0
181.23621	1.1
185.13251	3.5
187.14839	21.8
189.16393	50.5
191.16209	2.5
191.17961	49.6
193.15955	1.0
199.14838	3.3
201.16402	36.0
203.17969	63.9
204.18230	1.6
205.15886	44.9
205.19406	5.1
207.17458	26.4
213.16388	2.8
215.17981	6.9
217.15967	1.5
217.19556	4.2
219.17445	7.1
221.19011	1.9
223.06064	3.3
223.16945	1.3
227.17926	2.6
229.15933	1.0
229.19624	2.8
231.17438	1.4
231.21133	2.1
233.15329	1.3
235.16924	2.2
241.07130	4.0
241.19525	1.7
245.19260	1.3
247.16867	6.1
249.18483	8.7
250.08665	7.6
251.09436	1.7
254.01169	1.1
259.08167	3.1
261.18759	1.4
264.10156	2.1
265.18005	1.6
266.11780	2.7
267.20883	1.3
268.09726	2.1
282.11246	1.2
295.10214	4.1
295.24200	1.6
299.19843	1.2
305.10046	1.0
312.12906	19.8
391.33627	9.3
409.34665	100.0
410.34949	3.7
419.33069	1.7
425.33969	1.4
427.35809	15.0
437.28220	1.1
437.34180	39.7
455.35245	63.3
456.35403	1.7
473.36264	6.9
606.19391	2.1
752.25366	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.1
56.96564	1.6
57.03440	16.5
57.07072	2.2
61.02922	5.4
65.03953	1.2
67.05508	7.8
69.03434	17.7
69.07075	7.1
69.32672	7.4
69.32948	0.6
71.01347	2.2
71.04993	1.4
71.08619	0.7
73.02924	29.3
79.05505	5.8
79.34629	0.7
81.03419	3.0
81.07065	25.2
83.04985	1.0
83.08620	4.9
84.96005	0.7
85.02911	31.8
87.04483	1.8
91.03941	1.5
91.05464	6.9
93.07054	15.0
95.08615	38.4
95.65526	0.7
96.08934	1.1
97.02901	30.5
97.10159	4.1
98.97579	3.9
99.04469	1.5
101.49821	0.8
103.05453	0.8
105.07041	21.1
107.08604	24.2
108.50015	0.7
109.02889	3.5
109.06480	1.0
109.09458	1.4
109.10167	23.4
110.97589	1.0
111.08101	6.6
111.11704	0.8
111.68377	0.9
115.03938	17.1
116.98645	1.9
117.07022	1.9
119.08590	26.7
120.08102	0.7
121.09306	1.5
121.10149	20.8
123.11698	8.0
125.09628	1.7
127.03934	9.0
128.98605	1.0
131.08559	5.9
132.06558	1.2
133.04962	4.1
133.10143	24.2
135.11696	10.4
137.05983	1.3
137.13246	3.0
143.08551	0.9
144.06566	1.6
145.04973	12.5
145.10133	11.7
147.11690	19.2
149.13266	35.8
150.07617	2.9
153.09177	1.4
157.10097	2.6
158.99628	1.4
159.11703	12.1
161.13258	22.9
162.07617	1.9
163.03951	1.1
163.06075	3.9
163.14844	11.9
164.61937	0.7
164.97704	0.7
167.03349	0.9
171.11668	1.6
173.13286	7.8
174.13914	1.0
175.14854	11.6
177.05453	1.5
177.16399	20.6
179.14198	1.2
179.17883	0.9
180.08684	9.0
185.13313	1.2
187.14832	9.8
189.16393	71.1
191.17979	8.0
199.14847	2.5
201.16389	15.0
203.17970	31.9
205.15871	4.2
205.19592	2.8
207.17459	100.0
208.17757	1.0
208.31075	0.8
213.16408	4.0
215.17975	10.4
217.15968	1.0
217.19547	3.6
219.01843	4.0
219.03687	0.8
219.17453	1.5
220.02106	0.7
221.18947	2.0
223.06020	1.0
227.17915	1.6
229.19505	2.8
231.17465	3.3
233.18945	1.2
235.16911	2.0
237.02803	3.9
241.07037	1.8
241.19592	1.2
243.21172	1.1
245.18933	1.0
247.16966	3.4
249.18484	5.3
250.41924	0.7
255.21135	1.0
257.22357	0.8
259.08139	1.9
261.02844	0.8
261.22235	0.9
279.03745	3.7
280.04251	1.3
295.10342	2.2
299.27441	5.0
301.28976	1.6
312.12891	13.0
325.11444	1.1
325.28986	1.5
327.23380	0.9
343.29950	1.7
351.30508	2.0
355.26459	0.9
379.33560	2.5
391.33569	6.0
397.31012	3.4
407.36960	7.5
409.34708	24.2
411.36282	0.9
419.33557	0.9
425.34030	10.0
427.35706	3.3
437.34198	41.5
438.34451	1.4
455.35260	18.1
473.36441	0.9
580.32190	1.9
724.36633	12.0
759.22693	0.8
784.37878	1.0
786.87299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05510	4.0
57.03437	15.0
57.07067	1.3
59.04990	1.1
60.04508	0.7
61.02925	6.4
67.05521	4.5
69.03433	19.0
69.07076	5.9
69.10758	0.6
69.60758	1.3
69.61163	2.7
70.06596	0.8
71.01347	2.2
71.04990	1.1
72.97115	0.5
73.02920	29.8
79.05112	0.6
79.05497	5.4
81.03410	2.2
81.07063	10.6
83.04974	1.5
83.08619	4.0
85.02908	29.8
85.06552	0.9
86.09718	0.5
87.04459	1.4
91.03952	1.2
91.05482	4.2
93.07043	10.0
95.04996	1.3
95.08608	26.8
97.02898	29.5
97.10162	2.0
98.97604	0.9
99.04445	2.0
99.08074	0.8
101.23978	0.5
103.03903	0.6
105.07034	11.6
107.08598	31.8
109.02861	2.4
109.06491	0.6
109.10153	13.9
111.08105	1.2
111.29586	0.6
115.03935	22.1
117.03361	0.6
117.07006	1.6
119.08581	20.6
121.06491	1.8
121.10145	19.5
123.08085	0.6
123.11704	5.0
125.09618	0.9
127.03921	6.4
131.03531	0.6
131.04918	0.7
131.08571	3.8
132.06529	1.3
133.04990	5.5
133.10130	18.4
135.04425	1.3
135.08025	1.1
135.11700	11.9
137.05948	1.7
137.09644	0.9
137.13255	1.8
143.08521	1.0
144.06523	1.1
145.02832	1.4
145.03903	0.8
145.04968	9.0
145.10121	11.0
147.04349	0.6
147.11696	15.2
149.05988	0.8
149.09613	0.8
149.13274	6.5
150.07614	3.2
151.07570	0.8
151.11140	0.7
153.09074	1.9
153.51018	0.6
157.10068	1.1
159.11702	9.0
161.13249	10.2
162.07623	1.1
163.03934	4.7
163.06047	2.5
163.07396	0.6
163.11188	12.1
163.14822	6.2
164.04279	0.9
165.12842	0.6
165.16406	0.5
167.03375	0.6
171.11693	1.5
173.13261	4.4
175.11250	0.7
175.14833	15.5
177.05452	1.5
177.16383	23.0
179.14340	2.9
180.06448	0.6
180.06847	0.6
180.08679	11.1
185.13222	1.0
187.14825	17.0
189.16385	41.9
190.16731	0.7
191.17926	6.6
193.05013	1.2
197.13232	0.8
199.14854	1.9
201.16380	9.0
203.14259	0.5
203.17963	28.8
205.15881	100.0
205.19514	4.1
206.16177	1.6
207.17444	23.1
213.16461	1.8
215.17952	5.5
217.15826	1.5
217.19492	1.5
219.01802	0.6
219.17444	1.8
221.18987	1.9
222.09175	0.9
223.05975	1.7
223.16913	1.8
227.17903	0.9
229.15851	0.7
229.19530	2.0
231.17438	1.3
231.20985	0.8
235.16875	1.5
237.02786	0.8
239.17816	0.9
241.07086	2.3
241.19496	0.8
243.21141	0.7
245.19078	0.8
247.16939	3.2
247.20718	0.9
249.18468	10.2
250.08604	1.8
251.09305	1.6
253.19664	0.6
255.21030	1.0
259.08167	1.8
261.18430	1.1
264.10263	1.8
266.11734	1.7
282.11310	2.1
283.12085	0.9
285.25781	1.7
291.08746	0.6
295.10263	2.7
295.24213	3.8
312.12894	10.7
313.25278	5.8
314.14001	0.9
349.28793	0.6
391.33539	4.5
395.29492	1.3
402.94598	0.6
407.32813	0.6
409.34644	57.2
410.34854	1.2
425.34097	1.5
427.35660	10.8
428.36258	0.7
437.34174	35.1
438.34357	1.5
453.33328	0.6
455.35202	15.0
473.36288	4.7
528.26733	1.4
569.36432	0.6
588.29047	0.7
606.19629	3.9
711.56238	0.6
742.37750	0.7
752.25781	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	785.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.4
55.05512	6.2
57.03437	2.6
57.07066	2.6
61.02912	2.1
67.05511	9.6
68.94052	1.1
69.03432	8.2
69.07078	10.5
70.06565	1.2
71.04987	1.6
71.58540	1.2
71.58965	2.2
73.02907	1.3
79.05495	10.2
81.03413	2.8
81.07063	24.9
83.04974	3.9
83.08607	5.3
84.96236	1.2
85.02912	41.6
85.06538	2.2
86.09706	1.4
91.03969	1.4
91.05484	11.6
93.07060	28.2
95.04967	2.9
95.08053	1.9
95.08617	30.7
97.02892	11.5
97.10145	2.3
99.04399	2.0
99.08092	6.7
105.07030	21.2
107.08604	50.9
109.02869	4.0
109.06531	2.4
109.10166	18.9
111.08104	7.3
117.07021	3.7
119.07807	2.2
119.08596	32.2
121.06496	2.7
121.10152	26.7
123.08023	2.5
123.11713	9.0
125.09653	25.8
127.03931	7.4
129.07016	1.5
131.08568	13.3
133.10141	28.1
135.08015	2.5
135.11725	16.8
137.06004	1.5
137.09589	6.4
137.13161	1.8
139.11201	3.0
143.08594	7.2
145.02904	2.0
145.05000	11.5
145.09196	1.7
145.10146	18.7
147.11697	15.3
149.09628	1.6
149.13286	10.7
151.11177	5.1
155.08542	2.7
157.10109	9.9
159.11690	14.8
161.13266	12.5
163.03973	2.1
163.06023	4.5
163.11211	1.3
163.14841	13.3
165.09120	14.9
165.12650	2.2
169.10143	2.2
171.11647	7.6
173.13289	14.6
175.14871	7.5
177.16356	3.8
181.15918	3.0
183.11671	3.4
185.13243	7.9
187.14861	21.9
189.12706	2.4
189.16412	8.1
191.14328	7.4
191.17926	2.2
193.15921	1.6
197.13275	4.3
199.14822	8.0
201.16383	10.2
202.91202	1.5
203.14227	2.8
203.17961	5.3
205.12177	2.6
205.15921	14.0
207.17499	2.5
211.14821	2.3
213.16405	10.7
215.17940	5.4
217.15958	2.6
217.19530	1.9
219.17410	3.1
223.14752	1.8
225.16388	2.3
227.17969	3.4
229.19444	2.2
231.17392	2.8
233.19055	4.7
239.17921	3.0
241.19490	4.2
243.20877	1.4
245.18973	3.1
259.20541	2.6
261.22141	1.6
271.20526	1.3
273.22150	4.3
285.22144	1.4
299.23596	1.7
310.80115	1.5
315.26938	1.4
337.24811	1.3
367.29944	2.3
389.31952	5.1
390.32800	1.4
395.33041	5.8
407.33127	33.7
408.33160	1.7
413.34195	2.4
425.34174	100.0
426.34393	2.7
443.35266	7.7
477.18851	1.5
598.06458	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.4
57.03426	2.3
61.02925	3.5
67.05502	22.8
69.07066	7.6
70.06567	1.9
71.04993	2.8
71.57986	2.4
79.05492	15.0
81.03403	2.0
81.07056	23.7
83.04976	1.8
83.08607	6.0
85.02921	2.9
91.05484	27.1
93.07039	19.7
95.04969	3.8
95.08612	15.1
97.06538	3.1
105.07037	18.6
107.04990	2.1
107.08592	10.6
109.06521	3.3
109.10172	5.4
111.08086	2.7
117.07008	10.7
119.08559	14.3
121.06491	6.1
121.10149	7.3
129.06993	11.2
131.08563	19.6
133.10164	8.3
135.08044	3.0
135.11687	4.1
137.09555	1.7
141.07024	4.7
143.08566	6.9
145.10152	11.8
147.07986	2.2
147.11684	4.2
155.08571	3.9
157.10118	7.2
159.11717	7.6
161.09613	2.6
163.03964	3.3
169.10159	4.6
171.11705	4.9
173.13344	2.2
183.11682	3.7
183.61319	1.8
187.14818	2.6
197.13275	2.6
199.14897	2.1
211.14821	2.8
213.16574	1.8
261.18481	1.6
275.20111	2.5
325.25226	2.6
335.23315	2.3
343.26187	4.8
353.24548	8.2
371.25800	11.7
389.26657	11.5
445.29480	100.0
446.29764	4.0
463.30573	64.0
464.30756	1.9
737.18011	1.7
787.38141	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	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.3
55.05515	31.9
57.03440	12.8
59.04997	4.1
61.02924	12.8
65.03941	5.9
67.05511	67.5
67.05872	3.3
69.03442	11.2
69.07071	33.3
71.04999	4.8
71.57776	2.9
73.02899	3.3
79.05499	46.6
81.03412	12.9
81.07059	58.7
83.05001	8.5
83.08624	17.5
85.02914	15.7
85.06532	3.0
86.09711	3.7
87.82603	2.4
91.03971	4.5
91.05487	46.7
93.07045	52.1
95.04974	7.4
95.08614	37.4
97.02888	13.3
97.06548	12.6
97.10172	9.8
99.04507	3.3
105.07038	45.2
107.04955	5.0
107.08608	30.1
107.14639	2.3
109.06519	6.1
109.10152	22.4
111.04479	3.5
111.08070	5.3
117.07013	21.1
119.08601	34.6
121.06538	5.8
121.10150	20.1
123.08080	7.9
123.11729	9.7
124.99957	3.3
125.09635	11.7
127.03934	4.9
128.06239	5.6
129.07010	12.4
131.08571	28.8
133.10149	27.7
134.03596	2.0
135.08067	5.7
135.11774	11.4
137.09564	3.3
141.07021	7.6
142.07808	3.8
143.08569	21.1
145.06526	3.6
145.10126	28.1
147.08063	2.6
147.11716	19.0
149.02313	12.2
149.09650	8.3
149.13269	3.9
153.06952	2.1
155.08565	13.3
156.09343	3.3
157.10152	22.0
159.08087	4.1
159.11685	21.2
161.13257	7.0
163.11151	3.8
167.08580	9.8
169.10187	14.9
171.11710	19.6
173.04433	3.3
173.09541	3.1
173.11876	2.5
173.13268	11.0
175.14790	2.9
179.08603	4.1
181.10106	12.6
182.10963	2.6
183.11714	16.0
184.07344	9.8
185.13266	10.3
187.11122	2.7
187.14767	5.7
189.11232	3.4
189.12794	2.7
189.16483	3.3
193.04974	7.6
193.10126	4.0
194.05376	3.7
195.11726	9.9
197.13232	13.0
199.14851	8.2
201.16351	3.0
207.11757	5.2
209.13367	6.4
211.11215	3.3
211.14902	9.0
212.15454	2.2
213.16586	2.6
219.11752	2.9
221.13339	4.3
223.14821	5.5
225.16441	4.9
227.12700	5.3
227.18028	3.2
229.14337	5.0
235.14850	3.6
237.16426	4.2
239.17952	5.7
251.17953	3.1
253.19801	3.5
257.18939	5.3
259.20575	7.3
271.20709	2.8
273.18674	5.5
275.20111	13.7
285.22089	3.1
291.19650	4.7
301.21573	2.8
313.21506	3.7
331.22705	2.4
333.24194	10.5
335.25879	4.1
349.23782	8.1
495.34402	4.1
513.36005	26.6
515.38550	9.2
527.37280	6.8
533.39850	7.6
551.40649	5.4
567.41101	2.5
589.43304	3.0
607.43707	52.5
625.44666	100.0
626.44910	4.8
769.48389	5.2
770.17456	5.6
787.49792	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	788.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.9
58.06628	0.5
59.07397	0.1
60.08168	6.4
65.28391	0.1
67.05497	0.1
69.07045	0.2
69.28741	0.1
71.07379	3.8
79.05507	0.1
81.07054	0.2
86.09711	32.8
87.10039	0.2
91.05489	0.1
92.67765	0.1
93.07069	0.1
95.04984	0.1
95.08617	0.3
98.20771	0.2
98.98467	3.5
104.10750	3.1
105.07094	0.1
107.08633	0.2
119.08598	0.2
125.00011	22.5
136.06187	0.4
143.01102	0.1
166.02698	0.1
166.06100	0.1
184.07350	100.0
185.07774	0.5
496.34180	0.4
523.78271	0.1
561.51953	0.1
650.43341	0.1
676.44788	0.2
690.47015	1.2
730.50983	0.2
752.52155	0.1
770.53455	0.9
788.54425	4.4
789.55481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05029	0.6
58.06610	0.5
60.07871	0.4
60.08164	5.6
67.05505	0.7
67.91257	0.2
69.07056	0.4
71.07375	3.4
71.08672	0.3
71.58027	0.3
72.82874	0.2
79.05496	0.6
81.07060	0.9
85.83945	0.2
86.09708	30.3
91.05487	0.8
93.07061	0.9
95.08596	0.4
98.98473	3.1
104.10753	3.1
105.07034	0.5
119.08563	0.4
125.00011	19.5
129.24045	0.2
131.69531	0.2
133.10098	0.2
135.14030	0.2
184.07347	100.0
185.07637	1.0
186.07782	0.3
335.25760	0.4
349.23764	0.3
496.33725	0.3
610.45215	0.6
690.47235	1.8
772.55231	1.4
790.56012	4.5
791.55493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	10.5
56.96830	0.6
70.80755	0.4
70.81094	0.5
70.95822	0.5
70.98077	0.4
71.04964	0.4
71.95206	0.2
72.93771	0.3
81.03398	0.2
81.07018	0.5
84.96041	1.1
85.02856	0.8
93.07018	0.6
95.06040	0.3
97.02877	0.3
98.97587	5.9
107.08572	0.5
110.97588	1.9
111.01247	0.2
112.99149	1.2
115.00021	0.3
115.00696	3.3
116.98619	1.7
118.96241	0.2
121.06451	0.5
124.99087	0.6
127.00696	2.5
128.98625	1.4
129.02263	1.2
130.97896	0.3
131.00117	1.0
132.95786	0.6
133.01735	1.1
134.99637	0.2
135.11652	0.6
139.00676	0.3
140.98560	0.3
141.02206	2.1
143.00192	1.8
143.03795	2.3
144.95827	0.4
144.98045	0.3
145.01723	3.5
146.99586	0.6
147.03253	0.9
153.02170	0.4
153.12723	1.2
155.03831	1.7
157.01654	0.7
158.97382	0.7
158.99623	0.9
159.03317	3.3
161.01219	1.0
161.04865	3.4
163.00647	0.5
163.02773	1.4
163.03986	1.7
167.03773	0.6
169.05321	0.3
170.99625	0.7
171.03259	1.0
173.01161	0.3
173.04855	3.6
174.96880	0.7
175.02779	0.5
176.98360	0.2
177.00690	0.9
177.04333	1.0
179.05894	0.9
181.01689	0.6
183.06844	0.3
185.04886	5.2
186.96817	0.3
187.06427	2.3
189.00734	0.4
189.04288	0.8
191.05905	0.6
193.01750	0.3
193.42165	0.2
195.03296	1.4
197.04785	0.4
199.06407	1.7
201.00700	0.7
201.07961	0.9
203.05923	8.5
204.09349	0.2
205.07509	1.1
207.03206	0.4
207.06796	0.5
209.04872	0.4
211.02739	0.3
211.06371	0.7
213.04320	0.7
213.07979	4.8
215.05852	0.6
216.97960	0.7
217.07516	1.1
219.01740	4.1
219.03639	0.4
219.09024	0.4
221.07014	2.5
223.02669	0.4
225.05862	0.6
225.07961	6.2
225.11263	0.3
227.05936	3.2
229.07520	3.2
231.09048	5.0
234.98959	3.3
237.02518	3.7
237.04376	0.8
241.07542	0.8
243.09053	25.8
245.07005	5.6
247.08635	1.6
249.10110	0.6
252.99937	0.3
255.05626	0.4
259.08487	0.3
261.10114	70.2
262.10492	1.0
263.08054	0.3
265.03940	0.6
266.10602	0.3
267.06708	0.4
269.10568	0.2
270.10022	0.2
271.08536	0.5
275.10248	0.8
277.11829	0.5
279.05917	0.4
279.11163	8.3
280.11548	0.2
284.11697	2.4
285.07425	0.4
285.10233	1.5
303.11154	1.1
315.11176	0.7
321.10800	1.3
339.07553	10.2
339.10986	0.4
345.12262	0.4
357.08557	7.2
369.10196	0.4
381.08572	5.3
387.11661	1.9
387.12637	1.9
389.17612	0.5
397.05905	1.3
399.09650	1.8
405.14383	100.0
406.14816	1.6
423.15421	12.7
425.07556	2.1
441.05322	0.3
441.11649	0.4
446.17038	1.2
447.15417	4.0
465.16217	0.3
542.39215	0.3
575.44031	0.3
640.98254	0.3
645.19452	1.9
747.27234	0.3
791.26208	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	791.5646
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80331	0.5
71.43011	1.0
74.53564	0.5
81.07105	0.5
230.07590	0.6
429.07141	0.5
760.89264	0.6
791.56519	100.0
792.56482	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	792.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
63.02397	0.4
65.03947	1.2
67.05520	0.2
69.03430	0.7
69.07088	0.3
70.06593	0.8
79.05501	0.3
81.03423	2.6
81.07064	0.8
84.08136	0.3
85.02477	0.2
85.02901	0.9
86.09715	0.4
87.59680	0.2
89.03922	2.6
91.05487	19.1
93.07047	0.4
95.04970	0.2
97.02899	0.5
98.97632	0.3
99.04481	0.2
103.05464	0.5
105.07050	0.3
106.04183	0.3
107.04958	0.4
107.08575	0.2
109.02882	1.1
109.06509	1.1
109.10136	0.3
111.04469	0.2
117.03391	9.3
119.04954	9.9
119.08579	0.2
120.08142	0.3
121.02887	0.6
121.06522	0.8
123.04446	0.4
127.03894	0.4
134.03661	0.5
135.04420	0.7
137.05986	100.0
138.06322	1.2
139.03888	0.2
145.02853	28.8
146.03156	0.3
147.04443	0.3
149.02362	1.1
149.05983	3.4
151.03923	0.5
153.05473	0.5
163.03899	1.3
165.05479	0.3
167.03416	1.3
167.07089	1.3
177.05479	62.6
178.05812	0.8
179.07043	1.7
180.06540	0.4
181.04971	6.6
182.05399	0.2
186.05528	1.2
191.03424	1.4
195.06488	0.9
205.04973	0.2
209.04488	0.5
222.07591	0.2
223.06023	6.0
224.06573	0.2
265.07031	1.6
283.08060	0.8
285.11322	0.3
313.10654	1.1
321.09674	2.6
339.10730	3.9
345.09671	2.1
361.32941	0.2
387.10541	0.3
399.10272	0.3
417.15433	0.2
419.13367	0.7
475.15930	0.2
596.23291	0.3
612.23596	0.2
614.23248	0.2
693.32898	0.2
792.31354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05266	1.0
55.05518	16.4
57.03185	1.0
57.03444	10.4
57.07076	2.4
61.02926	2.7
65.03943	2.4
67.05511	64.2
69.03444	1.5
69.06722	0.8
69.07076	15.6
69.19523	1.0
69.19926	5.2
71.04984	1.5
71.08635	0.8
73.02928	0.8
73.86397	0.6
77.03939	0.6
79.05504	40.4
81.03445	0.6
81.07066	63.1
83.04995	2.7
83.08626	6.6
84.90395	0.6
85.02915	2.7
85.06551	1.6
89.66563	0.6
89.67210	0.5
91.03978	1.1
91.05491	24.2
92.95748	0.5
93.07054	46.5
95.05000	3.2
95.08616	47.7
96.08944	0.6
97.02910	1.7
97.06551	2.7
97.10168	3.4
98.20792	1.4
98.21485	1.8
99.08097	1.2
103.05477	0.7
105.04507	1.1
105.07043	17.7
107.08607	25.2
109.06523	1.3
109.10167	22.3
111.08075	2.0
117.07023	8.2
119.08592	14.2
121.10159	20.2
123.08076	1.2
123.11705	8.3
125.09629	1.4
129.07004	1.9
130.07762	0.7
131.08578	11.7
132.69980	0.5
133.10138	12.6
133.11081	1.0
135.08148	0.7
135.11710	13.1
137.09601	1.1
137.13248	2.8
143.08574	1.9
145.10152	9.9
147.11707	11.2
149.13272	8.6
151.11325	0.7
151.14867	0.9
153.12724	0.5
157.10156	1.6
159.11713	8.5
159.12991	0.7
161.13278	6.6
163.14848	4.2
169.10191	0.7
171.11748	1.6
173.13295	6.5
175.14859	3.4
177.12805	0.8
177.16408	1.5
179.14241	0.7
183.11775	0.9
185.13278	1.6
187.14847	3.3
189.16336	1.0
199.14792	1.3
201.16370	1.7
203.18002	0.8
205.15881	0.6
213.16449	1.0
215.17989	0.8
223.16919	0.9
241.19621	2.6
243.21083	5.7
253.28722	0.6
259.20599	8.1
261.22174	17.2
263.23718	2.2
277.21582	0.8
279.23209	0.9
299.23694	1.0
317.24802	3.4
333.24344	7.1
335.25833	100.0
336.26276	1.9
337.27405	10.9
341.28320	1.0
353.27429	0.7
517.38959	0.9
521.43372	1.8
531.40448	0.7
539.44818	0.7
570.98657	0.6
595.47260	16.9
596.46899	0.7
613.48407	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	793.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73589	0.2
57.03448	1.6
69.03444	2.2
71.01339	0.4
71.04996	6.9
71.48645	0.5
75.04498	0.3
79.05502	0.6
81.03393	0.9
83.04977	0.3
85.02907	8.5
86.12690	0.2
87.04473	0.4
89.03928	3.3
91.05489	0.4
92.11165	0.2
95.04981	0.3
97.02895	5.9
101.02402	0.3
103.05441	0.5
107.04960	1.2
109.02864	0.5
115.05455	0.5
117.03386	4.8
117.05786	0.3
118.06551	0.7
124.07542	0.3
127.03908	0.3
129.05518	0.8
130.06534	33.0
131.05081	0.3
131.06046	1.3
131.06895	0.4
134.05937	0.2
135.04427	9.6
142.06503	0.9
143.06120	0.3
144.04480	1.1
144.66666	0.3
145.02858	8.5
145.05182	0.4
146.06020	2.1
148.07544	0.4
149.33072	0.2
152.07036	0.3
154.06497	0.3
155.06030	0.7
156.06824	0.6
158.05972	0.3
160.03949	0.6
160.07550	0.5
162.05461	0.3
163.03909	67.6
164.04237	0.6
164.07089	0.3
174.05515	3.4
175.06284	3.6
176.07091	7.8
178.08664	0.3
181.05049	1.8
182.08240	0.6
188.07085	1.6
189.07857	0.4
190.08571	0.4
194.08151	0.7
205.90823	0.2
206.08138	22.9
207.08893	0.9
213.07791	0.3
217.08736	0.4
218.09723	0.6
219.09184	1.0
220.09859	0.3
221.10721	0.6
232.09886	0.5
233.10759	0.9
234.07506	0.3
234.11488	0.6
235.08601	1.0
244.09990	0.4
245.10780	1.9
246.09296	0.3
246.11600	0.3
247.08530	0.6
248.09464	0.9
249.10185	0.9
259.08719	0.3
259.12378	0.3
260.09683	0.2
260.10782	0.3
261.10205	1.9
262.08560	0.3
262.10934	1.4
263.07907	1.2
263.11783	1.1
272.09451	0.7
273.07675	0.4
273.10223	2.1
274.08441	0.4
274.11072	3.4
275.08200	2.4
275.11734	0.9
276.09955	0.3
277.09747	2.1
277.13345	0.8
278.10315	3.7
279.11407	0.4
287.11612	0.4
289.09650	3.1
290.10489	8.1
291.11279	2.1
292.11987	0.8
293.09192	0.3
293.12457	0.3
294.11264	3.8
295.14398	0.7
296.12686	0.8
304.12039	0.3
305.12860	14.2
306.10944	0.5
307.08228	0.7
321.12491	0.4
322.13156	1.3
323.13910	100.0
324.14279	2.6
325.09186	11.3
365.15015	1.2
449.17233	0.3
469.19629	1.9
485.19138	1.5
530.16547	2.2
646.21521	0.6
647.22400	26.6
648.22681	1.3
689.23322	0.8
793.28253	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	793.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05500	0.8
61.15546	0.5
65.03942	7.6
65.09606	0.5
67.05498	1.9
68.21490	0.5
69.33576	3.7
69.33978	0.9
70.06581	1.5
71.04993	1.0
72.08162	0.7
75.56213	0.5
78.04710	0.8
79.05487	2.5
81.07058	0.8
82.04179	1.4
83.08592	0.9
84.08139	1.4
85.02922	2.5
86.09701	0.7
89.03947	0.6
91.05482	6.0
93.03409	5.8
93.07024	1.2
94.04189	0.6
95.01350	1.8
95.04989	4.0
95.08588	0.5
97.02213	0.5
97.02885	0.9
97.06508	0.8
100.11245	4.0
103.05472	2.8
105.04520	0.7
105.07024	3.1
106.04148	1.6
107.04957	5.6
107.08579	0.5
108.02106	0.7
109.06526	1.7
110.03654	7.8
111.03709	0.7
111.04453	9.2
115.05469	2.7
117.07011	1.1
118.04173	0.7
119.04916	2.7
120.08104	0.9
121.02885	2.1
121.06512	5.0
122.06900	0.5
123.04425	4.4
124.05209	0.7
124.07488	0.6
125.05994	13.6
127.24004	0.5
128.06230	1.4
128.07103	0.9
129.07010	3.0
130.04109	0.6
131.04944	2.5
131.08531	0.5
133.02850	1.0
133.06476	1.6
135.04416	2.1
136.07570	0.9
137.05978	11.1
138.03091	0.9
140.04668	2.0
143.04919	1.3
144.05722	1.0
145.02875	0.7
145.06499	1.7
147.04428	2.5
147.08052	1.1
148.05185	1.2
149.06029	3.1
151.03896	3.5
151.07565	4.3
153.05473	42.4
155.04901	1.1
155.07085	1.1
157.06474	1.6
159.08054	2.5
161.05940	2.6
162.06784	0.6
163.03902	4.3
163.07527	1.9
164.07126	0.7
165.05508	1.5
165.07011	0.6
166.06223	0.7
167.07048	26.4
168.07405	0.7
169.06531	1.8
172.03906	0.7
172.05197	0.9
173.05974	0.9
174.06650	0.6
175.07579	4.0
177.05519	3.5
177.06807	0.6
177.09119	1.5
178.07790	1.4
179.07024	1.7
179.08514	1.1
181.04951	3.0
181.06517	1.5
181.08646	1.2
182.15410	1.3
183.06516	1.5
183.08023	1.0
184.05162	0.6
184.65775	0.5
185.05965	1.0
186.06795	1.1
187.07574	5.6
188.08266	0.9
189.05450	0.7
189.07095	1.1
189.09113	1.6
190.07780	1.1
191.07016	3.1
191.08569	1.5
193.06555	0.5
195.06535	1.0
195.08098	1.2
197.05995	4.8
198.06616	0.8
199.07545	2.4
201.05443	1.0
201.09091	2.2
202.07770	1.7
203.08548	1.6
204.06415	0.9
205.06549	1.4
205.08536	0.6
206.07248	1.2
207.06487	1.9
207.08157	1.1
208.08900	0.7
209.06180	1.1
209.08041	5.4
209.16533	0.9
210.06746	1.3
210.14931	2.6
211.07542	2.3
212.08395	1.1
213.05511	0.7
214.06293	1.4
215.08699	0.7
217.08507	0.8
218.07253	1.5
219.08113	2.5
220.08847	1.0
221.05940	1.2
221.09674	1.5
222.06816	0.7
223.07526	1.8
224.08154	0.7
225.05458	2.3
225.07465	0.9
227.07086	1.3
229.08612	0.8
231.08075	1.3
231.10178	5.6
232.08774	0.9
233.09694	1.8
234.06775	1.7
235.07574	3.2
236.08290	1.9
237.09016	1.3
238.09920	1.0
239.07103	2.5
240.07814	14.6
241.08626	1.7
242.05682	1.2
247.07620	2.6
248.08340	2.2
249.09096	3.3
250.06210	0.7
250.09840	0.6
251.07047	1.6
251.10709	2.1
252.07872	0.8
253.08528	1.2
253.12251	1.0
254.09445	0.8
255.06442	1.1
255.10266	0.6
257.08078	5.2
261.09067	1.3
262.06393	0.6
263.07037	2.0
263.10632	1.1
264.07742	2.5
264.98572	0.5
265.08640	3.6
266.09467	4.5
267.06625	1.2
267.10178	2.4
268.07336	0.8
270.05164	0.8
270.08862	0.8
272.10526	4.2
275.07123	0.7
276.07822	1.1
277.08594	2.4
278.09424	2.2
279.06808	1.1
279.10175	4.1
280.11066	0.9
281.08331	1.3
281.11731	6.9
282.08926	2.3
283.09561	1.0
284.10474	1.0
285.07639	1.3
287.05573	2.1
289.08563	1.5
290.09262	0.7
291.10126	1.5
293.08163	0.9
293.11639	1.0
294.08856	1.1
295.09521	2.6
296.10349	0.9
297.07724	0.8
297.11520	0.8
298.12085	0.9
300.09961	3.6
304.07285	1.0
305.08066	0.8
306.09021	1.2
307.09720	2.4
308.10428	1.1
309.11230	26.1
310.11816	2.3
311.09317	1.1
311.12781	3.4
313.10901	0.9
313.14380	1.8
319.09747	1.2
321.11157	2.7
323.09433	0.8
323.12912	1.2
324.10010	0.8
325.11066	1.1
325.14413	1.3
326.11411	2.4
337.10736	7.8
338.11548	0.8
339.12247	18.1
341.13843	100.0
342.14313	2.4
351.12344	2.5
353.13870	10.6
355.11703	3.9
355.15424	0.6
357.13324	2.3
369.13309	1.6
371.14951	4.1
383.14697	1.5
395.14984	0.8
416.15085	0.9
417.15393	1.0
485.16101	0.6
487.17783	1.0
517.18457	1.5
549.21173	6.9
614.22620	0.7
615.23663	0.8
679.51550	0.7
761.29681	0.8
793.10651	1.1
793.30054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
55.05506	1.1
57.03435	0.5
57.78703	0.5
65.03939	7.9
67.05500	1.6
70.06580	1.7
72.08135	0.7
78.04704	0.9
79.05504	2.9
81.03419	0.8
81.07065	1.0
82.04186	1.5
84.08148	0.7
85.02912	1.6
86.09684	0.7
91.05488	5.7
93.03406	6.7
93.07054	1.2
95.01333	1.3
95.04958	3.1
97.02869	1.1
97.06541	0.6
99.42038	0.4
100.07700	0.4
100.11237	1.6
103.05501	2.1
104.10815	0.4
105.03362	0.5
105.04549	0.5
105.07007	1.8
106.04169	1.1
107.04950	5.8
108.02100	0.8
109.06510	0.8
110.03668	8.5
110.07132	0.6
111.04437	9.7
115.05447	1.9
117.03368	0.8
117.07021	0.7
119.04942	2.4
119.08562	0.6
121.02862	1.7
121.06506	4.7
122.03647	0.5
123.04397	3.1
124.05215	1.0
125.06005	13.9
128.06223	0.8
129.06999	1.9
131.04933	3.0
132.05692	0.6
133.02858	0.8
133.06496	1.4
134.03622	0.4
135.04410	1.9
136.05203	0.6
137.05984	9.1
137.06990	0.3
138.03134	1.3
140.04701	0.9
141.06970	0.5
143.04932	1.6
144.05638	0.7
145.02829	1.3
145.06505	1.6
147.04411	1.7
147.08040	0.8
148.05194	0.9
149.05930	3.7
150.05524	0.6
151.03918	4.3
151.05014	0.7
151.07568	3.5
152.04706	0.5
153.05472	43.2
157.06505	0.9
158.07285	0.7
159.08099	2.8
161.05992	3.2
163.03946	3.7
163.07561	1.1
164.07039	2.1
165.05482	1.3
165.06990	1.2
167.07054	19.7
169.06509	2.0
173.05919	1.0
174.06738	0.6
175.03889	0.5
175.07506	3.0
177.05461	3.4
177.06808	0.6
177.09138	1.2
178.07809	0.6
179.07028	1.7
179.08525	0.9
180.06532	0.6
181.04927	1.8
181.06526	1.3
181.08588	1.3
182.07309	0.6
182.15439	1.1
183.06532	1.0
183.08017	1.3
185.05951	0.6
187.07573	4.6
188.08134	0.5
189.07042	0.9
189.09056	0.9
190.07837	0.5
191.07039	2.3
191.08586	1.3
192.09259	0.6
193.06564	0.9
193.08585	1.0
193.10220	0.8
195.06503	1.7
195.08044	0.9
197.05983	4.8
198.06767	0.5
199.07530	2.3
201.09070	2.2
202.07779	0.6
203.08601	0.9
205.06523	1.0
206.07346	1.1
207.04631	0.8
207.06499	1.6
207.08096	1.3
209.06053	1.0
209.08107	5.2
209.09871	0.7
209.16536	0.5
210.06848	0.6
211.07553	2.9
212.08321	1.7
213.09058	0.8
214.06183	0.9
217.06458	0.8
217.08513	0.7
218.07350	0.5
219.08043	2.7
220.08827	0.9
221.06062	1.4
221.09612	1.9
222.06798	1.3
223.07533	1.8
224.08289	0.7
225.05460	2.0
225.07434	1.0
225.09293	0.6
226.06274	0.7
227.07027	1.4
229.08611	1.3
231.08101	1.2
231.10175	6.9
233.05988	0.7
233.09668	0.9
234.06754	1.2
235.07619	2.4
236.08319	1.6
237.09076	1.7
238.06271	0.6
238.09906	0.9
239.06923	2.8
239.10666	0.7
240.07826	18.7
241.08659	1.9
242.05690	1.0
247.07590	1.7
248.08296	1.3
249.05621	0.6
249.09024	3.0
250.09877	0.7
251.07040	1.8
251.10750	2.5
252.07866	0.8
253.05046	0.6
253.08678	1.6
253.12210	1.8
255.06546	1.1
255.10268	0.8
257.08109	6.7
261.09311	1.1
262.10016	0.7
263.07092	1.5
263.10617	0.9
264.07834	1.3
265.08511	2.6
266.09393	5.4
267.06573	0.6
267.10141	1.4
268.07300	1.0
269.08246	0.8
270.08826	1.3
272.10397	5.2
275.06958	0.7
276.07782	1.1
277.08588	2.3
278.09290	2.3
279.10129	3.7
280.07452	0.4
280.10983	0.9
281.08142	1.7
281.11765	7.2
282.08820	2.5
283.09793	0.9
284.10403	0.9
285.07559	1.8
287.05432	1.6
289.08414	1.1
290.09613	0.6
291.10129	1.1
293.08456	0.6
293.11761	1.4
294.08704	0.7
295.09772	2.4
296.10422	0.8
297.08014	0.6
298.12064	0.9
299.09106	0.8
300.09949	4.7
301.07013	0.9
302.11298	0.6
307.09576	1.8
308.10559	1.3
309.11206	26.1
310.11880	2.0
311.09378	0.9
311.12646	2.9
313.14285	2.6
319.09805	0.6
321.11234	2.8
323.09329	0.6
323.13068	0.7
325.10855	0.8
325.14359	1.2
326.11548	1.3
337.10754	5.4
339.12286	13.5
340.13083	0.8
341.13843	100.0
342.14249	2.5
343.15271	0.6
351.12326	1.7
353.13858	10.3
355.11804	3.3
355.15671	0.7
357.13254	1.0
369.13458	0.7
371.14880	4.5
383.14917	0.9
499.17737	0.8
517.18726	0.8
549.21466	5.6
597.23138	2.5
793.31537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.7
58.06631	0.5
59.07406	0.1
60.08169	5.8
67.05515	0.3
69.19698	0.2
69.20110	0.8
70.06593	0.2
71.07380	3.3
78.35066	0.1
79.05496	0.1
81.07059	0.2
86.09711	31.2
87.04475	0.3
87.10053	0.2
93.07065	0.2
94.66998	0.1
95.08603	0.2
97.62279	0.1
98.98475	3.3
104.10750	2.1
121.06496	0.2
125.00013	20.5
135.34355	0.1
143.01102	0.2
164.79834	0.1
184.07350	100.0
185.07640	0.6
191.08759	0.1
369.20297	0.1
376.75928	0.1
516.30957	0.2
581.36206	0.1
776.52295	4.6
777.52100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03182	1.3
57.03445	15.7
57.07079	6.2
61.02923	4.2
65.03957	4.2
67.05511	97.5
69.03412	1.6
69.07075	33.8
69.33385	5.8
69.33795	1.3
71.04987	2.9
71.08620	2.1
72.47356	0.8
73.02895	0.8
79.05502	47.1
81.07064	100.0
83.04981	2.8
83.08630	18.6
85.02905	3.1
85.06532	2.5
85.10184	0.9
87.04471	2.3
91.03995	1.3
91.05490	28.7
93.07054	53.3
95.04978	3.7
95.08617	80.8
96.08944	0.8
97.02895	2.3
97.06546	4.6
97.10183	9.9
99.08099	2.3
105.04539	1.7
105.07043	21.6
107.08608	30.7
109.06548	1.7
109.10169	33.7
111.08096	3.2
111.11734	1.9
113.09697	1.1
117.07049	5.2
119.08595	20.6
121.09308	1.6
121.10156	25.8
123.08045	2.0
123.11725	11.9
125.09667	2.1
129.07027	1.4
130.07750	1.2
131.08589	11.2
133.10138	18.0
135.11707	16.4
137.09628	1.9
137.13249	4.9
139.11185	1.2
143.08543	1.0
145.10129	9.0
147.11696	11.2
149.13278	11.0
151.14832	2.7
157.10161	1.8
159.11720	6.8
161.13257	9.6
163.11183	1.2
163.14847	8.2
165.16353	1.1
171.11681	1.5
173.13304	5.6
175.14851	5.5
177.12733	0.9
177.16394	3.3
179.14380	1.0
179.17969	1.0
185.13312	1.9
187.14806	3.9
189.16399	1.9
201.16440	1.3
215.18015	1.2
219.21155	1.2
233.22336	1.9
241.19658	1.5
243.21124	8.1
245.22710	3.7
255.19504	1.0
259.20648	6.8
261.22183	22.6
263.23740	6.8
279.23270	1.4
295.22379	0.9
299.23776	1.3
317.24799	4.1
333.24298	4.1
335.25833	88.6
336.26038	2.4
337.27402	99.3
338.27673	2.3
339.28970	6.2
353.26837	1.1
378.43732	0.8
512.81281	1.1
523.45038	3.4
541.45825	1.4
597.48810	36.3
598.49091	1.5
615.49890	34.2
616.50098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	4.8
65.03901	0.9
67.05463	1.1
69.07045	0.8
71.08582	2.0
71.57700	1.0
77.03903	0.7
77.70664	0.6
81.07018	1.5
83.08585	1.1
85.10139	0.9
86.09673	1.1
87.04414	0.7
90.02789	0.7
91.05482	11.7
93.07057	12.8
95.04926	2.4
95.08569	1.9
97.10129	1.0
98.98469	6.8
103.05472	10.5
104.04948	0.9
104.56599	0.6
105.04474	1.6
109.10133	1.1
115.05434	1.3
117.05714	1.6
117.06998	1.5
118.06544	4.0
120.04402	0.7
121.06512	75.8
122.82116	0.7
125.00011	23.0
137.13129	0.7
142.06502	0.9
143.07263	1.2
144.04416	1.7
144.08089	7.4
146.04980	0.9
146.06018	13.3
162.05463	3.1
162.09212	0.8
163.01469	1.7
164.07068	1.6
170.06026	5.8
172.03915	0.8
172.06175	1.2
172.07574	20.7
175.48862	0.6
176.07043	2.4
178.08641	27.8
183.02055	1.3
184.07370	6.4
188.07079	10.2
190.04924	1.9
190.08644	6.0
196.09732	3.2
198.05534	4.3
201.03171	3.8
202.08641	15.1
204.06505	3.8
204.10214	77.6
205.10622	1.1
206.08104	4.8
208.09705	0.8
216.06583	8.3
220.09700	10.4
222.07951	7.4
222.11261	53.5
227.04636	0.7
230.08151	14.8
234.07581	4.7
240.08681	0.9
240.12320	9.4
248.09195	51.7
252.08716	0.7
266.10251	61.0
267.10443	0.7
270.05237	1.2
284.11319	2.6
286.04709	1.3
300.06262	2.4
302.07858	10.6
313.27322	2.1
314.04272	3.1
315.17249	0.6
320.08896	1.9
328.05728	3.7
332.05246	2.3
346.06897	46.2
360.14465	1.6
364.07895	3.2
368.14960	1.0
386.16037	15.5
404.17065	100.0
405.17358	2.8
448.11649	1.0
464.20245	0.9
466.12836	2.6
484.13712	82.2
485.13693	1.6
487.28186	0.7
558.17773	1.3
640.32684	1.0
658.34216	3.1
778.39178	15.6
778.52832	1.3
796.40277	77.0
797.40619	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	797.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.9
61.02917	7.6
61.69080	2.0
67.05516	14.4
67.05814	2.8
69.03424	19.3
69.07073	15.0
70.06612	3.3
71.04992	4.1
71.57970	2.2
73.02906	2.2
74.88654	2.4
79.05498	8.0
81.03420	7.2
81.07066	29.6
83.08614	6.0
85.02909	100.0
87.04472	3.1
91.03936	6.4
91.05488	12.1
93.07052	22.7
95.05054	2.7
95.08613	50.3
95.09145	1.9
97.02884	25.9
97.10165	3.5
97.93259	1.9
99.04476	2.6
105.07028	26.7
107.08591	36.0
109.02888	9.1
109.10171	28.9
111.08090	27.3
119.08585	36.0
121.06499	3.6
121.10148	26.4
123.11691	9.1
127.03922	25.3
129.06984	2.2
131.08577	10.4
133.10136	26.3
135.11687	15.8
137.06017	5.8
137.13213	2.3
139.11139	2.8
145.02898	3.2
145.04967	48.8
145.10115	19.3
147.04416	3.7
147.11696	22.1
149.13266	29.2
151.07564	2.8
153.09116	2.8
157.10100	4.9
159.11697	16.9
161.13268	24.7
163.04001	10.0
163.06075	16.3
163.14827	21.7
169.03694	2.2
171.11703	4.9
173.13292	14.3
175.14809	18.0
177.05472	5.2
177.16426	16.7
185.13303	4.3
187.14825	16.3
189.16376	50.6
191.17946	7.1
195.17421	2.6
201.16371	26.2
203.17979	42.5
205.15913	4.0
205.19536	2.9
207.17453	21.7
213.16354	3.6
215.17931	21.6
217.19511	3.4
219.17453	4.3
221.19029	5.9
227.17941	4.1
229.19510	3.6
235.16962	7.6
241.19455	3.0
243.21146	6.1
247.16997	6.2
249.18449	5.9
259.17014	2.7
261.18445	3.7
265.31702	2.2
325.11435	2.7
391.33783	16.6
397.30939	6.8
409.34631	33.0
411.36160	3.8
425.34122	7.6
437.34171	86.4
438.34595	2.5
455.35336	32.8
457.51743	2.2
460.54449	2.8
522.70258	2.3
606.36139	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97865	0.3
57.03438	2.0
59.05038	0.2
60.73446	0.2
61.02930	5.6
61.33154	0.3
67.05509	5.9
69.03436	4.0
69.07067	1.1
71.01359	0.7
71.04997	0.7
73.02922	5.1
78.33097	0.3
79.01587	0.2
79.05505	4.7
81.03432	1.4
81.07061	5.5
81.67620	0.2
83.04994	0.5
83.08624	0.4
83.20008	0.3
85.02911	6.2
87.04483	0.4
91.03962	4.5
91.05492	2.3
93.07047	4.9
95.08616	5.3
97.02899	5.2
97.06554	0.4
99.04451	1.4
101.02402	1.9
103.03979	0.4
105.07043	1.7
106.59560	0.3
107.08604	2.1
109.02874	1.0
109.06497	0.4
109.10150	2.0
115.03934	0.6
117.07014	0.5
119.08616	1.1
121.10158	1.9
127.03923	1.8
131.08585	1.0
131.95604	0.3
133.10138	1.1
135.11719	1.0
145.10136	0.5
147.11742	0.5
149.13248	0.4
173.13339	0.4
185.04256	0.9
242.28969	0.3
243.08408	2.2
261.22205	0.3
335.25989	1.0
343.79089	0.3
519.29321	12.2
520.29791	0.4
797.51758	100.0
798.52124	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	798.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.1
57.07079	1.0
60.15207	0.4
61.02643	0.7
61.02930	8.2
61.33491	0.4
67.05509	3.6
69.03432	17.0
69.07082	2.9
70.55512	0.6
70.55863	1.4
71.01333	0.5
71.05015	2.3
73.02927	3.8
79.05494	2.0
80.56217	0.4
81.03423	7.7
81.07060	8.7
83.01330	0.5
83.04988	0.7
83.08623	2.5
85.02910	100.0
86.03245	0.6
87.04473	2.2
91.03947	4.9
91.05484	2.7
93.07050	6.3
95.08612	20.4
96.38039	0.5
97.02899	31.8
97.10172	1.4
99.04454	4.0
99.19258	0.4
103.04005	0.6
105.07028	7.4
107.08604	11.6
109.02890	9.2
109.06505	0.7
109.10157	13.4
111.08086	0.6
115.03914	0.8
119.08585	14.2
121.06544	0.7
121.10155	11.5
123.11725	6.3
127.03925	25.4
131.08571	1.1
133.10133	7.2
135.11700	11.2
137.06012	0.9
137.13271	3.8
144.06570	1.9
145.04968	42.0
145.10100	2.3
147.11708	8.7
149.13260	5.2
153.09106	1.0
157.10143	0.8
159.11752	3.6
161.13280	5.0
162.07648	1.1
163.06030	13.3
163.14827	7.0
167.10741	0.7
171.11745	0.7
173.13298	2.3
175.14868	3.6
177.16408	3.1
179.14345	0.7
179.18005	1.2
180.08704	1.4
185.13324	0.6
187.14847	2.9
189.16405	15.1
191.17963	20.3
193.12329	0.5
201.16393	4.1
203.17967	22.4
204.08730	0.5
204.18280	0.7
205.04764	0.6
205.19519	2.9
207.17474	1.2
213.16396	1.7
215.17961	6.4
217.19556	3.8
219.17572	0.6
221.19051	1.5
229.19548	1.4
231.21091	2.6
235.16943	2.5
243.21031	0.8
245.22650	0.8
247.16994	0.9
249.18489	4.9
257.22620	0.6
259.16943	2.9
261.18546	4.3
269.22641	0.8
271.08173	0.7
271.24277	1.0
275.20172	0.9
289.09277	0.9
324.12915	1.6
325.11292	2.8
342.14050	1.0
379.13440	0.7
393.35178	6.7
411.36209	20.3
412.36432	0.5
437.34103	0.9
438.34631	1.1
439.35721	23.3
440.35611	0.5
457.36801	64.6
458.36917	1.4
498.39438	0.7
545.14856	0.6
601.40576	0.5
770.83270	0.6
798.48694	1.5
799.31470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.5
57.82411	0.8
61.02933	6.1
65.92788	0.8
67.05506	6.2
69.03427	3.2
69.54813	3.0
69.55235	2.6
73.02919	3.7
79.05499	2.8
81.03429	2.1
81.07058	7.1
85.02901	6.5
91.03956	3.7
91.05488	1.6
93.07063	3.1
95.08606	5.9
97.02878	5.9
98.20976	2.7
101.02399	2.4
102.89527	0.8
105.07030	1.4
107.08597	2.6
109.02905	1.2
109.10165	1.6
118.20679	0.8
119.08655	1.1
119.72238	0.7
121.10147	1.0
127.03973	1.6
135.11790	1.4
155.87497	0.8
164.21793	0.8
178.31201	0.9
185.04231	1.5
243.08485	1.6
519.29504	5.8
521.30841	8.5
531.53314	1.0
620.47571	0.9
799.53290	100.0
800.52582	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	800.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
59.04951	0.2
69.03438	2.0
69.33366	0.2
69.40790	1.3
70.06555	0.3
71.04994	5.7
73.02895	0.2
75.04503	0.2
77.19491	0.1
79.05479	0.8
81.03417	0.8
83.04992	0.3
83.57678	0.2
85.02908	6.8
89.03921	3.1
91.05487	0.9
93.03365	0.2
93.07039	0.4
97.02900	4.5
99.04493	0.3
101.02367	0.3
103.05484	0.3
107.04964	1.6
109.02903	0.5
111.04401	0.2
117.03381	4.1
119.04954	0.8
121.06509	1.1
123.04397	0.4
127.03959	0.3
129.05466	1.1
131.04942	0.2
135.04417	9.7
135.12727	0.2
136.03888	0.2
137.02339	0.3
137.05963	0.9
138.41888	0.2
145.02852	7.6
147.04408	0.2
147.06500	0.2
148.07616	0.3
163.03908	74.3
164.04236	0.6
164.07016	0.2
169.07654	0.2
181.05005	1.5
206.08151	0.2
225.07925	0.6
241.07381	0.5
242.08159	0.4
243.05386	0.2
244.06001	0.3
253.07356	0.5
254.08180	0.3
256.09656	1.6
257.06818	2.4
268.06085	0.7
269.06839	4.3
270.07581	2.9
271.08353	0.6
272.05551	2.3
273.06442	0.2
274.10696	0.8
284.09171	6.2
284.12299	0.3
286.07217	0.4
298.10898	0.2
302.10229	8.6
307.08179	0.7
309.09534	0.4
312.08646	0.9
312.12170	0.4
325.09198	12.9
330.09723	100.0
331.10056	1.9
401.78101	0.2
471.14899	0.4
492.14935	0.7
654.17944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.5
59.04974	0.8
61.02901	0.5
66.91861	0.5
67.05518	0.5
69.03426	3.2
69.66441	2.2
69.66868	1.1
70.06586	0.8
71.01343	1.2
71.04651	0.7
71.05003	11.4
73.02895	1.0
75.04464	0.9
76.19621	0.5
79.05463	1.6
81.03400	2.0
81.07020	1.0
83.04969	1.4
84.08149	1.2
85.02426	0.9
85.02916	13.1
87.04453	1.6
89.03925	3.8
91.05483	2.6
93.07034	2.3
97.02905	5.5
99.04465	1.6
103.05445	1.3
104.10806	0.5
105.07021	1.1
107.04964	6.8
109.06509	0.6
111.04433	1.0
112.11230	1.4
117.03409	5.5
118.06561	1.1
119.08564	0.9
120.04446	0.5
121.02870	3.6
121.06512	5.4
123.04413	0.5
123.54186	0.6
127.03851	0.7
129.05458	1.3
129.06973	0.6
130.06531	1.6
131.08597	0.6
132.04454	1.6
133.05234	1.6
134.03595	0.7
135.04424	11.1
136.05193	0.7
137.05969	2.1
142.06537	0.6
143.08577	0.8
144.04446	2.3
145.02866	9.8
145.10117	1.0
146.06038	2.5
149.05894	0.5
151.03989	0.6
151.07521	1.3
156.09448	0.7
158.06052	2.4
159.06648	0.7
160.07626	2.1
161.04735	0.7
162.05554	1.1
163.03923	72.8
164.04327	1.2
164.07124	0.7
167.07361	0.8
171.11740	1.8
173.13188	0.8
176.07051	4.0
178.08670	2.3
181.04980	1.7
184.07457	1.0
188.07101	0.6
196.07581	1.1
204.06612	0.7
206.08214	1.4
209.08325	0.8
210.09183	1.7
212.07091	0.9
217.12334	1.6
220.07759	0.9
222.09206	2.2
222.11232	1.1
223.06261	1.0
224.07042	1.4
224.10742	0.6
225.07834	1.1
226.08736	0.6
236.07150	0.6
237.07861	5.5
238.08656	19.7
238.11046	1.0
239.09370	2.5
240.06541	3.3
240.10234	1.2
241.07433	0.9
248.07150	1.0
249.07912	2.9
250.08643	2.6
251.09399	1.1
252.06567	1.0
252.10286	4.4
253.07419	1.1
253.11073	2.0
254.08162	2.7
254.11963	0.9
256.09732	0.8
262.08893	0.6
264.06543	2.8
265.07401	4.4
266.08118	28.5
267.08878	15.8
267.11450	0.9
268.09616	3.9
270.11377	1.5
280.09711	35.9
281.10468	1.8
282.07883	1.7
282.11246	18.1
282.14426	1.0
284.09195	7.4
297.10132	1.7
298.10776	49.3
299.11530	6.6
300.12372	1.8
308.11496	1.3
310.10699	0.7
312.12341	3.3
312.15521	0.6
325.09253	2.5
326.10275	9.5
330.09879	0.9
330.13358	6.8
442.15274	1.7
460.16150	2.2
492.16666	1.2
549.17468	0.7
606.21729	0.6
610.21252	1.0
622.19257	66.2
623.19476	2.4
726.64636	0.6
768.25049	100.0
769.25201	4.0
800.37421	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	800.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
60.94957	0.4
61.05973	0.4
67.05511	7.9
69.03427	4.6
69.07072	2.3
69.23801	2.5
69.24232	1.5
79.05492	7.1
79.29173	0.4
81.03424	5.9
81.07066	7.8
83.04993	0.9
83.08620	1.3
85.02900	2.9
91.04977	0.5
91.05489	6.8
91.39632	0.5
93.07049	7.7
93.74262	0.4
95.04984	1.0
95.08614	6.6
97.02901	3.1
97.06512	0.9
98.21461	0.7
99.04449	0.6
103.05486	0.8
105.07038	4.8
107.04919	0.4
107.08596	4.4
109.02898	0.9
109.06529	0.7
109.10170	2.5
111.04429	1.2
115.03903	0.7
115.05457	1.2
117.07039	2.6
119.08571	3.7
121.10135	3.7
122.03721	0.6
123.08012	0.5
123.11707	1.1
125.09642	0.4
127.03933	2.1
127.32832	0.4
128.06200	1.8
129.07007	8.2
131.04935	1.9
131.08569	8.9
133.10126	2.5
135.11664	2.7
137.05977	6.6
141.06126	0.5
141.07016	6.0
143.08592	2.7
144.05716	0.9
145.05002	0.6
145.06497	1.5
145.10138	2.5
146.07298	0.5
147.11690	2.3
149.09619	0.6
149.13222	1.3
151.07533	1.5
152.20045	0.4
155.08530	0.8
157.06511	6.4
157.10092	0.9
158.07233	2.2
159.08073	5.8
159.11687	1.9
160.05176	1.0
161.09637	0.9
161.13280	1.1
163.07579	1.6
167.08537	0.5
169.06442	3.1
169.10078	0.6
170.07205	1.4
171.08073	1.5
171.11726	0.7
173.05969	0.8
173.09599	1.0
173.13255	1.5
174.06766	13.2
175.07539	5.0
177.09119	0.7
185.13361	0.6
186.06761	3.0
187.07506	1.3
187.14780	0.7
188.08257	1.0
189.09116	24.7
191.10666	2.1
201.09109	10.7
203.10718	4.6
207.10211	0.7
219.10173	100.0
220.10510	0.8
221.11674	1.1
237.11201	0.9
241.19495	0.5
243.21007	0.7
259.20490	0.6
261.22198	2.2
264.16394	0.5
271.20773	0.4
277.21573	0.6
303.23120	0.8
315.23135	0.5
325.14246	1.8
341.13855	0.9
341.24863	0.5
369.24161	1.5
387.25229	1.7
405.26108	1.6
412.55820	0.5
423.27557	0.8
553.79523	0.4
589.31018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	27.3
57.07076	2.1
59.04997	1.5
60.04512	1.5
60.88187	1.1
60.99078	1.1
61.02930	8.5
63.67747	1.1
65.03939	2.9
67.05515	9.5
69.03078	1.8
69.03432	35.8
69.07072	11.0
70.06586	4.3
71.01344	3.6
71.05007	2.5
71.59329	1.5
72.08128	2.5
72.39811	1.2
73.02920	58.4
79.05489	11.7
81.03402	3.8
81.07063	34.2
83.04994	7.8
83.08620	6.4
84.08133	1.5
85.02914	48.4
86.09718	1.4
87.04464	4.4
88.05889	1.0
91.03947	2.6
91.05482	16.7
93.06487	1.3
93.07052	28.4
95.04962	3.3
95.08611	53.3
97.02280	2.6
97.02900	49.6
97.06532	1.9
97.10170	4.0
103.05473	3.3
105.07036	39.9
107.04961	2.6
107.08601	53.4
109.02885	2.6
109.06510	3.8
109.10162	29.9
110.07146	3.1
111.08087	6.6
115.03937	29.4
115.05492	1.9
117.03369	2.6
117.07016	4.8
119.04952	1.8
119.08585	49.4
121.02898	1.6
121.06520	8.4
121.10150	33.4
123.04419	1.2
123.08080	3.1
123.11725	18.2
125.09643	23.2
127.03926	12.7
129.07051	2.0
131.08575	23.8
132.06538	2.0
133.04965	8.2
133.10143	39.4
135.04407	3.2
135.08055	4.0
135.10033	1.3
135.11708	15.9
137.05972	9.2
137.09564	4.0
137.13293	2.7
139.76407	1.1
142.07675	1.3
143.08571	8.1
144.06570	2.6
144.09329	1.7
145.02850	3.8
145.04977	13.4
145.10127	43.7
147.07997	1.9
147.11684	30.5
147.12785	2.3
149.02359	2.0
149.09596	2.7
149.13255	15.2
150.07634	3.5
151.03893	3.7
151.07516	4.9
151.11159	2.0
152.67909	1.3
153.09106	3.1
156.09407	1.6
157.10104	9.7
158.10837	1.4
159.11708	33.8
160.06168	2.0
161.09634	4.4
161.13257	20.3
162.07730	1.7
163.03928	14.6
163.06096	2.5
163.07553	1.9
163.11156	3.0
163.14824	17.9
165.05493	2.4
167.03410	1.5
167.07089	2.4
167.10677	1.5
170.10953	1.4
171.11722	8.1
172.12463	1.7
173.13271	40.6
175.14832	35.8
175.16026	1.0
177.05440	4.2
177.09189	1.5
177.12920	1.7
177.16402	30.4
178.97466	1.2
180.06537	2.1
180.08669	14.4
181.04926	9.5
182.05333	2.5
182.36661	1.3
182.94424	1.2
183.11600	3.0
185.13278	6.9
187.14833	63.9
189.12758	3.3
189.16393	44.1
191.14304	20.1
191.17963	14.0
193.15959	1.7
195.11511	1.6
197.13216	3.0
199.14828	14.0
201.12802	1.4
201.16409	41.0
203.14346	9.3
203.17955	49.6
205.15886	100.0
205.19472	5.4
207.17410	4.3
209.15494	2.5
211.14777	1.7
213.16396	19.0
215.14348	1.3
215.17946	15.2
217.15939	8.1
217.19479	3.9
219.17403	9.3
220.08238	1.6
221.15370	8.0
223.05984	10.0
223.16916	9.8
224.06310	1.9
225.16414	2.2
227.17943	4.3
229.16045	2.5
229.19516	3.6
231.17464	4.4
233.19012	3.2
235.16835	7.1
237.02719	1.4
239.18094	1.7
241.07080	2.6
241.19543	4.2
243.17419	1.8
243.21136	2.3
247.16904	10.2
249.18526	6.2
250.07173	1.9
253.19638	1.7
255.21004	1.9
259.08185	3.0
259.20721	1.4
261.18542	7.4
264.08704	15.5
265.09067	8.1
265.19608	2.2
266.08124	3.4
267.21066	3.7
275.19955	1.6
280.09689	4.3
281.22479	1.8
282.11377	2.5
283.24197	1.9
295.10150	4.4
298.10733	4.5
306.09683	16.1
307.10162	8.6
312.12909	20.3
330.09686	1.4
341.24731	2.6
343.26251	1.8
349.29089	1.6
375.50616	1.3
377.31842	3.7
379.33548	4.3
389.32083	13.8
395.28751	2.4
395.33490	8.1
407.33093	52.0
408.33441	1.7
409.34601	3.2
423.32547	11.4
425.34076	12.7
429.13556	2.8
435.32593	31.4
441.33688	8.1
443.35260	11.5
453.33664	99.3
454.33630	2.4
471.34866	11.0
489.36072	6.5
622.19202	5.6
694.48944	1.3
768.24957	11.3
800.26379	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	20.5
57.07074	3.2
61.02934	9.5
65.03946	1.3
66.54380	1.1
67.05509	13.0
67.66257	1.5
69.03431	30.8
69.07063	11.6
70.06592	2.5
71.01357	3.2
71.04988	1.2
71.58301	2.5
72.08138	2.1
73.02921	47.0
75.83254	1.2
79.05490	11.5
81.03424	4.4
81.07060	36.7
83.04984	1.7
83.08616	4.5
85.02904	38.3
85.06521	2.0
87.04464	2.7
91.05479	17.1
93.07047	34.0
95.04966	2.7
95.08609	55.0
97.02893	42.4
97.10169	5.6
99.04436	2.5
99.08087	9.1
103.05492	1.7
105.07034	52.4
107.08601	51.9
109.02860	3.3
109.06506	1.5
109.09464	2.4
109.10164	28.5
111.08092	9.4
115.03165	2.1
115.03933	27.8
117.07011	5.1
119.04947	1.2
119.08582	70.3
121.06524	2.9
121.09319	2.2
121.10147	34.8
121.11022	1.7
123.08105	3.0
123.11705	8.6
125.09678	1.3
127.03919	11.1
129.07019	2.1
130.07796	1.9
131.08574	32.4
132.06573	1.9
133.04950	4.2
133.10138	44.7
135.11688	17.1
137.05969	4.5
137.09648	1.7
137.13210	2.0
138.06281	1.3
139.11174	2.3
143.08585	8.4
144.06587	1.5
144.10233	1.5
145.04971	9.4
145.10124	42.4
147.04398	1.3
147.11691	52.9
149.12057	2.5
149.13263	49.9
150.07623	4.5
151.07495	1.8
153.09097	1.4
155.08556	3.1
157.10124	11.1
158.10942	1.4
159.11700	40.9
161.11989	2.2
161.13272	31.8
162.07611	2.3
163.03918	2.2
163.06068	1.5
163.07513	1.8
163.11180	1.2
163.14819	11.1
165.12688	1.7
167.07011	2.9
169.10161	3.3
171.11696	9.2
173.13266	27.9
175.11240	1.3
175.14847	21.3
177.05434	3.3
177.16380	25.1
179.14288	4.6
180.06577	2.5
180.08676	14.5
181.04990	1.9
183.11671	3.9
185.13268	12.5
187.14833	38.0
189.16385	100.0
191.14337	2.2
191.17941	2.4
193.15858	2.5
195.11696	1.6
197.13231	3.5
198.98842	3.7
199.14822	15.3
201.16389	58.1
203.14340	2.4
203.17982	12.5
205.15860	20.1
207.17450	63.6
209.13216	1.9
211.14755	4.2
213.16370	13.2
215.14647	1.4
215.17993	15.1
217.15999	2.9
217.19441	2.3
219.17392	9.5
220.06116	1.4
223.05908	2.2
225.16402	4.6
227.17996	6.4
229.15791	1.7
229.19427	2.2
231.13860	1.8
231.17427	3.2
233.15407	2.5
233.19009	5.5
237.16426	2.0
239.18002	2.6
241.06964	2.2
241.19557	3.9
243.21098	1.7
244.29846	1.2
245.15323	2.8
245.19048	1.9
247.17033	5.9
247.20763	1.4
251.09326	1.2
251.17996	1.6
253.19504	2.5
255.21048	2.0
259.08081	2.4
259.17218	1.9
267.21115	2.8
279.21097	2.3
281.22821	2.1
287.20157	2.4
295.10333	3.5
307.24341	1.5
312.12900	20.9
313.25253	1.7
319.24280	2.3
325.21634	2.0
338.12479	1.4
349.28918	2.9
365.28601	2.1
367.29996	12.0
371.26080	1.6
377.31903	3.7
389.32089	9.6
395.29074	6.2
395.33694	2.7
407.33124	35.8
409.34512	1.6
413.30481	20.6
423.32587	7.7
425.34143	19.5
435.32623	45.5
441.33655	11.9
443.35168	5.9
453.33679	80.1
471.34686	21.2
489.35788	3.6
497.54773	1.3
606.15790	1.3
621.27527	2.9
800.26678	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	800.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	1.4
57.03444	18.9
57.07079	10.8
60.08134	1.7
61.02931	3.1
65.03934	3.9
67.05510	77.9
69.03435	9.5
69.07071	60.3
69.07458	2.1
71.04981	5.2
71.07362	2.3
71.08628	5.7
73.02908	2.7
77.03940	1.2
79.05498	50.3
79.05962	2.6
81.03432	9.1
81.07063	87.2
83.04999	9.5
83.08622	35.7
85.02467	1.1
85.02901	7.0
85.06552	4.8
85.10237	1.1
86.09275	1.8
86.09711	17.7
86.73193	1.3
91.03942	1.2
91.05487	38.0
93.07051	55.8
95.04970	9.3
95.08613	47.1
96.08849	1.2
97.02871	5.7
97.06531	16.1
97.10176	15.6
98.21485	4.1
99.04433	2.3
99.08086	4.2
103.05449	1.2
103.45911	1.3
105.04525	2.7
105.06493	1.1
105.07039	28.9
107.04950	7.2
107.08598	34.9
109.02884	1.7
109.06523	6.3
109.10165	19.3
111.04446	1.3
111.08096	7.7
111.11705	3.8
113.09629	1.8
115.05491	1.3
117.07027	14.2
119.08592	21.7
121.06472	4.2
121.10149	28.1
123.08094	4.0
123.11730	6.6
125.00007	7.0
125.09633	4.7
127.03931	2.5
129.07016	6.9
131.08582	17.5
133.06499	2.4
133.10133	18.5
135.08069	3.3
135.11702	26.2
137.09605	2.6
137.13289	3.8
139.11238	2.3
141.06989	1.7
143.08554	4.3
145.06493	1.4
145.10118	10.8
146.98196	7.6
147.11708	10.4
149.09608	9.4
149.13266	14.2
151.11153	2.3
157.10126	3.2
159.11717	14.9
161.09563	1.3
161.13255	2.2
163.11176	5.0
163.14861	1.8
165.12692	2.0
169.10059	1.9
171.11664	3.9
173.04442	1.6
173.13260	3.0
175.14807	2.2
177.12790	4.6
177.16373	1.7
179.14296	1.6
183.11678	1.4
184.07362	29.2
185.13281	1.5
187.14708	1.8
189.11145	1.5
195.13782	4.6
203.14166	2.0
214.09422	1.3
217.15831	1.4
219.17535	1.2
219.21103	3.0
227.12767	4.5
229.14397	3.8
229.19597	1.4
237.22115	3.5
239.17921	2.7
253.29071	1.2
255.15918	15.0
257.18976	9.0
261.14944	1.2
267.15851	2.7
269.17487	31.9
275.20096	27.5
291.19507	2.4
293.21127	1.5
309.20645	2.0
311.25818	100.0
312.26321	1.7
331.22678	3.1
349.23737	27.5
367.24890	4.5
413.21826	2.1
457.25485	1.3
465.35684	2.4
491.37354	20.8
505.38904	84.2
506.38742	1.9
515.57660	1.3
519.39941	1.4
521.38739	1.5
545.42212	7.3
585.45148	35.4
603.46228	8.5
617.45508	10.8
649.42603	1.7
741.44104	4.7
747.50830	1.5
771.80676	1.5
800.51929	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	801.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.52866	0.3
63.02374	0.4
69.03442	2.6
69.42620	1.1
69.43034	1.0
70.06599	0.3
71.01347	0.8
71.04996	9.1
72.04517	0.6
73.02898	0.4
75.04479	0.4
79.05482	0.5
81.03418	0.9
83.04975	0.6
85.02908	11.1
89.03911	3.3
89.38515	0.4
95.04972	0.4
97.02905	7.9
99.04436	0.6
101.02348	0.3
107.04952	2.0
109.02837	0.4
117.03385	5.8
121.06477	0.3
127.03884	0.8
129.05504	1.3
132.04442	0.7
133.05211	0.4
135.03384	0.5
135.04419	9.2
143.78668	0.3
145.01747	0.5
145.02850	9.3
145.03996	0.5
163.03912	69.5
164.04242	1.1
165.05507	0.5
172.07645	0.4
181.04956	2.1
186.05522	0.6
186.09167	0.4
196.07481	0.8
199.08522	0.4
203.05171	0.3
203.66849	0.3
204.06505	0.3
211.06276	1.0
212.07051	1.0
224.07426	0.3
224.09615	0.3
225.10289	0.3
226.08755	0.5
227.05919	0.5
227.08244	1.0
228.06712	0.5
229.06044	1.8
230.06776	0.4
235.08705	0.5
239.05829	0.6
239.08195	0.9
240.06639	0.5
240.08910	0.6
241.07422	0.5
241.09677	0.7
242.08420	0.3
242.10728	0.3
243.07680	1.1
244.09801	0.8
245.86948	0.3
248.12558	0.3
251.08220	0.9
252.08824	1.9
253.07277	2.6
253.09793	3.0
254.04477	1.1
254.07207	0.9
254.08295	0.5
255.07616	7.8
256.08319	0.5
257.09247	1.2
259.10913	0.3
260.09164	2.2
263.08121	0.7
265.06250	1.2
265.09558	0.5
267.07706	3.0
268.08386	1.8
269.09161	2.5
270.09979	0.9
272.09171	5.6
272.11942	0.5
273.08841	1.3
274.10718	0.5
279.07687	1.0
280.08401	3.3
281.09167	1.2
282.10138	1.4
283.07330	0.5
283.10831	1.3
285.08771	0.7
285.12332	1.1
286.09494	1.6
287.10260	5.3
288.08539	2.4
288.11118	7.6
295.10837	1.5
296.11743	0.4
298.10474	2.7
299.11127	1.9
300.11032	3.7
301.11871	3.4
307.08038	0.6
313.11832	21.9
314.12192	0.6
325.09195	6.5
326.09274	0.4
331.12888	100.0
332.13333	2.2
373.13922	1.0
393.56522	0.3
477.18707	0.7
493.18188	1.4
544.90039	0.3
655.21368	62.7
656.21722	1.9
796.02222	0.3
801.27087	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	802.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.5
60.83099	0.3
69.03426	2.0
69.21699	2.8
70.06580	0.3
71.01360	0.4
71.04993	5.9
75.04472	0.3
75.14018	0.3
75.70049	0.3
79.05483	0.9
80.47897	0.3
81.03415	0.9
83.04953	0.4
85.02428	0.6
85.02910	7.3
87.04466	0.6
89.03924	2.5
91.05457	1.3
97.02892	5.6
98.20986	1.2
99.04430	0.6
100.62022	0.3
107.04953	3.7
109.02877	0.3
117.03378	3.6
119.04935	0.9
120.05856	0.3
121.06499	1.6
127.03907	0.3
129.05473	0.8
133.02849	0.3
135.04417	6.7
136.05188	0.5
139.03922	0.4
145.02847	6.8
146.06091	0.3
150.01904	0.3
150.03067	0.4
150.05493	0.5
152.03453	0.4
162.05496	0.6
163.03912	50.2
169.20364	0.3
181.04982	1.3
212.07158	0.5
228.06584	0.4
240.06573	0.4
254.08159	1.4
256.05969	1.4
258.07654	0.4
269.06808	0.7
270.07654	2.1
271.08386	2.0
272.05563	1.7
272.08868	0.6
284.05518	1.1
285.06351	0.4
286.07114	20.1
287.07913	1.6
288.05075	0.3
298.07205	0.7
299.07916	6.9
300.08585	1.7
301.11725	0.4
302.06552	0.7
307.08044	0.4
313.11783	0.7
314.10181	11.5
317.08942	12.0
325.09183	3.9
331.12906	4.2
332.11255	100.0
333.11563	1.5
374.12329	0.8
375.48242	0.3
494.16541	1.3
650.36584	0.4
655.21527	0.8
656.19867	49.0
657.20044	1.8
802.25964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73416	0.4
67.05504	2.6
69.07081	0.7
71.57140	0.5
72.11042	0.4
74.09700	0.4
79.05499	0.8
81.07053	1.9
86.09703	0.9
91.05474	1.7
93.07047	2.4
95.08595	1.3
98.98470	7.4
99.18044	0.4
103.05482	0.8
107.08600	0.8
109.10147	0.6
121.06513	5.3
121.10152	0.5
122.06041	0.6
125.00012	24.7
130.06528	1.2
131.07307	0.6
134.06033	0.4
150.05542	3.0
164.07080	21.3
166.08539	0.5
176.07083	14.6
184.07407	2.0
184.08791	0.4
190.08643	89.8
191.09206	1.0
192.10202	1.6
194.08080	1.1
208.09708	8.5
208.62985	0.4
244.03613	0.5
250.10739	0.5
274.02115	0.5
274.04803	7.3
288.06326	100.0
289.06662	1.1
296.12683	1.3
314.13885	0.8
335.25980	2.2
336.22708	0.5
348.08701	0.7
366.43350	0.5
394.10553	15.3
426.13089	0.9
468.14258	3.7
501.55020	0.4
507.47311	0.4
590.28687	4.8
596.38953	0.5
604.30310	1.7
622.31372	16.0
623.31079	0.7
728.35449	2.5
802.37830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.1
57.07072	3.7
61.02928	6.2
65.03963	0.8
66.96575	0.5
67.05171	0.9
67.05508	11.4
69.03432	11.4
69.03806	0.6
69.07069	10.5
69.07446	0.5
70.06580	0.5
70.07603	0.9
70.07990	1.0
71.05000	3.5
71.08644	1.2
73.02910	2.8
79.05489	5.8
81.03423	5.5
81.07057	29.9
83.04935	0.6
83.08620	24.7
84.75238	0.6
85.02906	92.8
85.06545	5.9
86.03204	0.7
87.04484	1.5
91.03970	4.5
91.05473	6.0
93.07050	13.9
95.05001	0.9
95.08610	45.3
97.02894	23.0
97.10165	3.5
98.20802	0.6
99.04469	3.8
101.02375	0.6
103.03932	0.8
105.07032	10.9
105.07680	1.0
107.08596	25.1
109.02878	8.6
109.10159	46.7
110.10501	0.5
111.08063	0.7
111.11708	2.0
113.09675	3.2
115.03924	0.9
117.07029	2.0
119.08584	15.7
121.10147	20.2
123.11707	14.5
125.09647	4.7
127.03921	26.2
127.11176	0.9
131.08597	3.9
133.10135	13.7
133.11087	1.0
135.11691	20.1
135.12712	1.1
137.09636	1.5
137.13260	15.7
143.08575	1.7
145.04962	56.1
145.10121	8.5
147.11687	14.8
147.12798	1.0
149.13258	14.3
151.11165	1.2
151.14798	3.6
157.10182	1.0
159.11696	8.6
161.13252	11.7
163.06020	31.8
163.11154	0.6
163.14807	8.2
165.12761	1.4
165.16356	1.0
171.11699	1.7
173.13280	9.1
175.14816	8.7
177.12881	0.9
177.16402	5.4
179.14334	1.9
180.08646	0.6
183.11696	0.9
185.13286	1.8
187.14815	8.3
189.16389	13.7
191.14366	5.2
191.16118	1.1
191.17943	19.4
193.15813	0.8
193.19458	0.6
199.14806	1.9
201.16389	9.9
203.17963	9.8
204.08633	1.2
205.15840	1.5
205.19542	6.0
207.17410	3.3
213.16388	1.6
215.17966	6.7
217.19533	7.2
219.01869	0.6
219.17474	0.9
219.21210	0.8
227.17937	2.2
229.19562	3.2
231.21107	1.4
233.19044	1.0
241.19540	3.0
243.21043	1.7
245.22577	0.7
255.21053	3.8
257.22708	0.9
269.22690	3.5
271.08167	2.1
273.22086	0.9
279.03964	0.7
283.24197	1.5
285.25714	0.6
287.05487	2.0
288.05753	1.6
289.09268	4.7
295.24240	1.1
297.25754	0.7
299.27368	9.8
301.28961	3.1
325.11304	41.5
325.28891	39.8
326.12027	0.7
326.29300	1.1
341.32056	1.1
343.29953	100.0
344.30319	3.5
351.30298	1.3
361.31021	16.7
365.32254	0.6
367.33682	1.4
384.32523	1.8
402.33472	0.8
407.36749	23.0
407.42206	1.2
408.36847	0.9
425.37793	3.7
505.35132	1.5
523.36627	0.8
585.86707	0.6
791.88434	0.6
802.43634	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
65.03937	0.4
69.03436	2.8
69.07061	0.4
69.64934	1.3
70.06585	1.0
70.07407	0.3
71.01352	1.1
71.04998	11.6
73.02931	0.4
75.04475	0.7
75.32558	0.3
79.05486	0.8
81.03428	1.8
81.07038	0.5
82.14095	0.3
83.04985	1.9
84.08153	0.4
85.02911	15.6
87.04473	0.7
89.03922	4.1
91.05489	1.8
92.05733	0.3
93.03381	0.3
95.04974	1.1
97.02289	0.5
97.02896	7.9
97.06509	0.6
99.04464	0.9
101.02416	0.3
105.07023	1.1
107.04970	1.8
109.02860	0.8
109.05244	0.6
110.03642	0.5
111.04433	1.2
113.06052	0.5
117.03380	4.9
119.04935	0.6
121.06500	1.7
122.06056	0.5
123.04406	0.3
124.07587	1.2
125.05996	1.7
126.06376	0.3
127.03899	0.9
129.05510	1.9
132.08868	0.3
135.04433	10.2
136.07593	0.5
137.05980	1.6
138.05469	0.6
140.08174	0.4
143.07098	0.4
145.02859	9.0
145.04001	0.5
145.10135	0.6
146.10492	0.5
147.04395	0.5
151.07571	0.5
152.07047	1.1
153.05443	0.5
154.06255	0.5
159.08098	0.3
159.11581	0.4
161.06006	0.4
163.03914	75.2
164.04279	0.9
164.07082	0.5
167.07135	0.5
168.06578	1.1
169.07379	0.8
170.06026	0.4
170.20966	0.3
173.09651	0.7
175.03888	0.3
177.05457	0.6
180.06593	0.6
181.04938	2.6
181.08676	0.5
182.08174	0.4
183.06653	0.4
184.07587	0.6
186.05458	0.5
186.09186	0.4
187.11203	0.6
196.07599	0.5
198.05516	0.3
199.06219	0.7
200.07033	0.6
201.05579	0.8
202.08664	0.9
205.12207	0.7
210.05409	0.4
212.07060	1.4
213.07872	1.1
214.08621	1.1
215.10851	0.5
216.06606	0.5
220.06013	0.5
223.06322	0.3
224.07109	0.6
225.07793	0.8
226.08649	1.0
227.05714	0.5
227.09383	0.4
228.06567	2.7
228.10263	0.8
229.07343	1.0
230.08124	1.8
232.09773	0.7
233.11656	0.8
234.12138	0.5
239.09216	0.3
240.06541	1.8
241.07379	2.2
242.08148	1.9
243.08954	1.0
244.06079	0.8
244.09706	2.1
248.09160	0.8
252.06357	0.4
253.07443	0.9
254.08159	0.8
255.05135	0.5
255.08978	1.5
256.06018	0.9
256.09760	2.5
257.06848	0.8
258.07645	4.7
258.10397	0.4
258.11432	0.4
259.08392	2.7
260.09241	4.4
260.12112	0.4
260.13031	0.3
261.09830	0.4
265.07028	0.5
266.08316	0.5
268.06097	0.5
269.06799	1.5
270.07623	3.0
270.11029	0.6
271.05606	0.3
271.08356	0.5
272.09186	4.7
273.09937	2.1
274.07382	0.5
274.10712	2.7
276.08719	1.9
276.12006	0.4
283.08102	0.5
284.09186	5.4
285.09952	2.3
286.07114	1.5
286.10699	1.2
287.05438	1.2
287.11414	0.6
288.05801	0.9
288.08710	2.5
288.12317	3.1
289.09570	0.5
290.10266	1.0
298.10571	0.4
300.08615	0.5
301.09433	2.4
302.10254	7.0
303.11020	5.1
304.08151	0.8
304.11835	2.0
305.08072	0.8
306.13394	3.4
307.08148	0.6
314.10181	1.2
316.11813	21.4
317.12439	0.6
318.09964	0.5
318.13370	1.9
319.10510	4.8
325.09180	16.0
326.09717	0.4
332.11438	0.5
333.12067	1.5
334.12863	100.0
335.13184	2.1
337.10690	0.6
340.12051	0.4
358.12823	1.4
471.14697	0.4
487.15829	1.1
496.18143	1.3
608.27081	0.5
640.20038	0.5
657.20123	0.9
658.21344	28.3
659.21490	0.8
710.62927	0.3
804.26843	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	804.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
58.01023	0.3
59.04979	0.5
61.02930	0.4
63.02388	0.3
64.79044	0.3
65.03947	0.4
69.03427	2.6
69.07069	0.3
69.71416	0.4
69.71703	1.7
70.06588	0.7
71.01336	0.7
71.04996	11.6
71.42810	0.3
73.02921	0.5
75.04470	0.6
79.05488	0.9
81.03423	1.4
83.04980	1.7
85.02906	14.2
86.03214	0.2
87.04455	0.8
89.03925	3.5
91.05478	1.3
93.07038	0.4
95.04962	0.9
97.02892	7.4
97.06553	0.3
98.21605	0.3
99.04441	0.5
105.07001	0.4
107.04958	1.4
108.04481	0.4
109.02850	0.7
109.05293	0.3
109.06502	0.4
111.04441	0.9
114.34232	0.3
117.03380	4.0
119.04932	1.1
121.06508	2.1
122.05976	0.3
123.04424	0.4
124.07574	1.3
125.06021	1.3
126.05501	0.3
127.03944	0.8
129.05495	1.6
134.06088	0.3
135.03389	0.5
135.04420	8.8
136.03873	0.3
136.07545	0.4
137.05960	1.7
138.05519	0.7
139.03896	0.3
139.06329	0.3
139.07448	0.3
143.07045	0.5
145.02846	8.5
145.10074	0.5
147.06572	0.4
149.05992	0.6
152.07076	0.7
153.05508	0.6
154.06311	0.4
157.05159	0.3
161.05995	0.3
163.03909	72.4
164.04279	0.8
164.07025	0.6
165.05487	0.4
167.07135	0.6
168.06573	0.8
169.07375	0.7
173.09654	0.8
177.05484	0.5
180.06569	0.5
181.04964	2.7
184.07567	0.4
186.05478	0.3
186.09137	0.3
187.11269	0.4
188.07118	0.3
196.07564	0.6
198.05463	0.4
199.06264	0.5
200.07092	0.5
201.05563	0.3
202.05141	0.3
204.06509	0.3
205.04948	0.3
211.06242	0.5
212.07050	1.2
213.07822	0.9
214.08661	0.9
215.05791	0.5
216.06676	0.3
224.07137	0.4
225.07808	0.5
226.08635	0.9
227.05836	0.5
228.06534	1.8
228.10191	0.9
229.07323	0.8
230.08148	2.3
232.09772	0.4
234.07570	0.4
238.08658	0.6
240.06592	1.8
241.07306	1.5
242.08130	2.1
243.05298	0.3
243.08871	1.0
244.05991	0.8
244.09776	1.6
246.11325	0.4
248.09177	0.4
253.07312	0.7
254.08176	0.9
255.08928	1.5
256.06082	1.0
256.09595	1.6
257.06927	0.7
258.07651	4.5
258.10849	0.4
258.11249	0.4
259.08389	1.8
260.09229	4.0
265.07080	0.4
266.08099	0.7
269.06824	0.7
270.07617	2.7
270.11206	0.6
271.08292	0.6
272.09155	4.3
273.09982	2.2
274.07816	0.4
274.10760	2.1
276.08658	1.1
276.12064	0.3
283.08249	0.4
284.09177	5.7
285.09882	2.3
286.07193	1.0
286.10727	1.0
287.05267	1.5
287.08279	0.5
287.11465	0.5
288.05789	1.0
288.08707	2.2
288.12311	2.8
289.09482	0.5
290.10248	1.0
298.10861	0.7
300.08685	0.7
301.09485	2.3
302.10242	7.4
303.11038	5.0
304.08334	0.6
304.11835	2.2
305.08020	0.6
306.13351	2.8
307.08060	1.3
314.10199	0.7
316.11804	20.3
317.12302	0.6
318.09882	0.4
318.13306	1.9
319.10495	4.5
320.10974	0.4
325.09161	14.8
333.12027	1.7
334.12851	100.0
335.13043	1.7
337.10809	0.8
358.12805	1.4
376.13388	0.4
390.58197	0.3
460.15381	0.3
469.90186	0.3
478.17218	0.3
487.15997	1.2
495.16724	0.3
496.17871	1.1
640.20087	0.4
657.20367	0.6
658.21350	26.0
659.21289	0.6
726.20441	0.3
740.31909	0.3
804.26886	4.2
805.27588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78212	0.1
57.03442	1.7
61.02922	0.2
62.43671	0.1
63.02386	0.2
67.05506	0.1
69.03075	0.2
69.03434	3.3
70.06592	0.1
71.01343	0.3
71.04996	8.4
71.23692	0.1
71.57219	0.2
72.08129	0.1
73.02922	0.6
75.04485	0.7
79.05486	0.4
81.02999	0.1
81.03416	0.7
83.04980	1.2
84.08143	0.2
85.02909	12.6
87.04459	0.5
89.03913	2.6
91.05505	0.6
93.07058	0.2
95.04959	0.1
97.02280	0.2
97.02901	4.3
98.97598	0.2
99.04459	0.7
101.02363	0.2
105.07024	0.3
107.04971	0.8
109.02878	0.4
109.10122	0.1
111.04459	0.7
117.03387	3.6
119.04930	0.3
121.06503	0.5
123.04449	0.2
127.03904	0.8
129.05487	4.0
131.04959	0.1
133.06526	0.2
133.10156	0.1
134.03366	0.1
135.04427	8.5
137.05984	2.2
143.04778	0.1
145.02856	8.6
145.04756	0.2
147.04536	0.2
147.06538	2.0
149.05995	0.6
151.03925	0.1
151.07539	0.6
151.11310	0.1
155.07079	0.2
158.99696	0.1
161.05968	0.6
162.03091	0.1
163.03911	100.0
164.04247	1.2
164.09271	0.1
165.05498	0.6
167.07030	0.5
175.07509	0.2
179.07079	1.7
181.04967	1.9
185.03838	0.2
185.05888	0.1
186.05536	0.3
191.07050	0.1
194.04280	0.1
197.08160	0.2
203.07161	0.7
221.08173	0.8
225.07954	0.2
229.08702	0.1
243.09055	0.1
245.08087	0.1
247.09668	1.7
255.08688	0.3
260.09100	0.2
263.09235	0.2
265.07690	0.2
265.10706	1.1
273.09912	0.2
281.10223	0.2
283.11746	0.3
283.64581	0.1
291.08679	0.3
301.12726	0.3
307.08179	0.7
309.09680	0.9
309.12311	0.4
317.10165	0.2
325.09198	20.1
326.09622	0.3
333.08569	0.1
368.15897	0.1
387.13135	0.2
392.14398	0.1
394.89203	0.1
434.18103	1.0
434.68137	0.3
464.22635	0.1
471.14984	0.4
553.96442	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	804.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78212	0.1
57.03442	1.7
61.02922	0.2
62.43671	0.1
63.02386	0.2
67.05506	0.1
69.03075	0.2
69.03434	3.3
70.06592	0.1
71.01343	0.3
71.04996	8.4
71.23692	0.1
71.57219	0.2
72.08129	0.1
73.02922	0.6
75.04485	0.7
79.05486	0.4
81.02999	0.1
81.03416	0.7
83.04980	1.2
84.08143	0.2
85.02909	12.6
87.04459	0.5
89.03913	2.6
91.05505	0.6
93.07058	0.2
95.04959	0.1
97.02280	0.2
97.02901	4.3
98.97598	0.2
99.04459	0.7
101.02363	0.2
105.07024	0.3
107.04971	0.8
109.02878	0.4
109.10122	0.1
111.04459	0.7
117.03387	3.6
119.04930	0.3
121.06503	0.5
123.04449	0.2
127.03904	0.8
129.05487	4.0
131.04959	0.1
133.06526	0.2
133.10156	0.1
134.03366	0.1
135.04427	8.5
137.05984	2.2
143.04778	0.1
145.02856	8.6
145.04756	0.2
147.04536	0.2
147.06538	2.0
149.05995	0.6
151.03925	0.1
151.07539	0.6
151.11310	0.1
155.07079	0.2
158.99696	0.1
161.05968	0.6
162.03091	0.1
163.03911	100.0
164.04247	1.2
164.09271	0.1
165.05498	0.6
167.07030	0.5
175.07509	0.2
179.07079	1.7
181.04967	1.9
185.03838	0.2
185.05888	0.1
186.05536	0.3
191.07050	0.1
194.04280	0.1
197.08160	0.2
203.07161	0.7
221.08173	0.8
225.07954	0.2
229.08702	0.1
243.09055	0.1
245.08087	0.1
247.09668	1.7
255.08688	0.3
260.09100	0.2
263.09235	0.2
265.07690	0.2
265.10706	1.1
273.09912	0.2
281.10223	0.2
283.11746	0.3
283.64581	0.1
291.08679	0.3
301.12726	0.3
307.08179	0.7
309.09680	0.9
309.12311	0.4
317.10165	0.2
325.09198	20.1
326.09622	0.3
333.08569	0.1
368.15897	0.1
387.13135	0.2
392.14398	0.1
394.89203	0.1
434.18103	1.0
434.68137	0.3
464.22635	0.1
471.14984	0.4
553.96442	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	805.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.5
69.43826	0.7
69.44250	1.1
70.06511	0.3
72.12147	0.3
77.03930	0.6
79.05487	0.3
81.03374	0.3
83.24457	0.3
91.05484	6.2
93.07053	8.6
95.04984	1.6
103.05482	5.8
105.04507	0.5
107.04954	0.7
117.07037	0.8
119.05090	0.3
119.08623	0.6
121.02937	1.3
121.06510	100.0
122.06865	1.0
128.06218	0.6
131.04904	0.5
133.06493	1.0
135.08067	0.8
139.03915	0.7
143.08549	0.3
145.06506	1.2
146.38762	0.3
147.08055	3.2
149.02356	1.9
149.05974	0.3
151.00908	0.3
151.03954	0.3
152.06183	1.3
152.48421	0.2
153.05496	0.9
153.06961	0.7
155.08577	0.5
157.06508	0.8
163.03955	0.7
163.07558	0.9
165.05498	0.7
165.06996	1.0
166.07878	0.5
167.03455	1.6
167.07336	0.4
167.08525	2.0
169.06493	0.7
171.08067	2.4
177.06998	0.9
177.08441	0.3
178.07675	0.7
179.08595	0.6
181.04980	7.5
181.06483	1.3
182.07260	0.3
183.08067	1.0
191.03397	0.4
193.05005	0.3
194.07254	0.8
195.08061	4.6
195.09787	0.4
196.08943	0.3
197.06050	0.4
197.09673	0.6
199.07634	0.4
205.06473	1.5
207.08218	0.4
208.08582	0.3
209.09613	0.5
210.06767	0.4
211.07648	0.7
213.09122	0.5
219.08127	0.3
221.09590	0.4
223.05997	4.6
223.07654	2.8
224.08350	0.3
225.07431	0.4
225.09325	0.5
233.06061	0.5
235.07520	0.4
238.06316	0.9
239.07051	0.6
241.08592	0.6
247.07574	0.4
251.07057	5.6
253.08606	0.5
265.08813	0.9
265.12173	0.4
267.06625	0.4
267.09610	0.3
269.08133	3.7
271.05945	0.3
275.07166	0.8
283.09662	4.8
291.14044	0.3
293.08124	0.5
301.11041	0.5
311.09143	0.5
329.10217	0.7
343.11844	3.7
357.14905	0.3
361.13181	0.6
371.12509	1.9
385.14096	0.5
389.13882	3.1
403.14594	0.6
413.13940	0.8
421.16431	0.9
431.14877	1.7
442.10345	0.3
449.16006	5.0
463.17410	0.5
481.18469	0.7
533.15039	0.4
551.15479	1.2
565.17053	0.5
579.16412	0.5
583.18622	0.4
590.15283	0.3
593.17041	0.6
611.18878	0.6
625.18945	1.3
629.19830	0.3
639.18414	0.5
653.20197	0.3
657.19360	0.5
671.21045	0.8
689.22296	0.4
731.23132	1.5
824.91479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
57.07073	0.4
61.02933	4.5
67.05508	5.8
69.03429	2.4
69.07074	4.2
71.01353	0.3
71.05010	0.6
71.07370	0.5
71.08642	0.4
73.02920	3.7
79.05497	4.2
81.03416	2.2
81.06586	0.4
81.07062	6.9
83.04976	1.1
83.08620	2.4
85.02905	5.7
86.09721	2.5
87.04482	0.4
87.09997	0.4
91.03955	2.8
91.05481	2.8
93.07043	4.0
95.04972	1.3
95.08619	4.8
97.02901	4.4
97.06530	0.7
97.10184	1.5
97.96357	0.3
99.04461	1.3
99.08080	0.5
101.02375	2.0
103.03898	0.5
105.04502	0.4
105.07030	1.6
107.08591	2.7
109.02879	0.9
109.06558	0.4
109.10149	1.9
111.08095	0.4
115.03951	0.5
117.07013	0.7
119.08593	1.4
121.06529	1.2
121.10158	2.1
123.11720	1.0
125.00043	0.7
127.03954	1.2
131.08575	1.1
133.10164	0.9
135.11711	1.9
145.10150	0.6
146.98195	3.1
147.11687	0.5
149.09633	0.4
154.14569	0.3
159.11713	0.5
173.13367	0.4
184.07343	1.8
185.04216	0.9
190.08691	1.0
203.05296	0.7
219.21205	0.4
237.22047	0.5
243.08426	2.8
250.05363	0.4
251.20331	0.7
288.06198	0.7
311.25977	1.2
333.20364	3.3
380.04739	0.3
389.23306	0.4
439.19617	0.9
450.54495	0.4
453.21103	1.4
495.29251	6.0
551.28357	6.8
552.29010	0.4
622.48987	2.8
625.44592	0.4
745.46680	0.4
746.48230	2.7
805.50714	100.0
806.51038	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	805.51
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	19.2
60.08160	2.8
65.03931	6.1
67.05509	64.3
69.07066	13.8
69.32449	7.9
69.32874	9.2
71.04988	3.8
71.07354	3.0
79.05497	44.7
81.03419	2.7
81.07061	51.3
83.04988	4.4
83.08629	6.9
85.06538	7.8
85.92995	1.9
86.09711	23.2
87.10010	2.0
89.06031	2.4
91.05485	33.7
93.07042	40.9
95.04977	57.7
95.08613	30.7
97.06536	7.1
97.10195	3.2
98.98502	4.4
105.07037	27.0
107.04956	9.9
107.08605	25.2
109.06525	58.6
109.10146	13.2
113.06016	26.6
117.07018	12.7
119.08589	15.1
121.06531	9.2
121.10138	12.1
123.08082	5.4
123.11674	2.2
125.00012	22.4
129.07030	5.0
131.08563	16.2
133.06483	3.0
133.10170	10.2
135.08060	38.0
135.11691	11.0
137.06015	2.4
141.06996	3.0
143.08554	6.9
145.10132	13.0
147.08034	6.0
147.11687	3.6
149.09621	5.2
149.13298	4.3
157.10136	6.1
159.08090	2.4
159.11702	8.5
161.09625	9.9
161.13268	3.7
163.11243	2.6
164.07077	6.1
171.11790	2.1
173.13310	3.4
176.07152	3.2
177.81306	1.9
184.07350	63.3
185.07735	9.2
190.08646	17.3
191.08966	4.1
199.14854	4.1
201.12733	2.1
208.09756	4.4
217.15932	9.1
255.17212	2.3
273.18518	32.6
279.15866	2.0
288.06320	19.0
289.06665	6.3
291.19550	100.0
335.25812	90.1
346.64148	2.1
347.22098	7.2
365.23245	16.7
365.43918	2.1
387.16479	2.1
567.40070	2.6
602.31506	2.2
607.43402	17.2
625.33423	5.5
625.44537	79.7
626.44342	2.8
761.35297	1.9
805.51160	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	806.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.1
65.03915	1.3
67.05509	25.9
69.03410	1.2
69.07069	9.9
71.04991	1.1
71.57831	1.4
79.05498	23.3
81.07061	28.8
81.48885	0.8
83.05025	2.1
83.08614	3.8
83.19829	0.9
85.06538	2.2
85.64251	1.0
91.05481	24.6
93.06467	1.8
93.07050	26.6
95.04977	3.3
95.08612	21.1
97.06525	3.1
97.10176	1.8
97.38624	0.9
99.04460	1.5
102.57880	1.0
103.05502	1.1
105.04540	1.0
105.07034	21.5
106.61673	0.9
107.04945	3.7
107.08600	11.6
109.06505	4.3
109.10167	6.0
111.08144	1.1
116.64915	1.0
117.07026	7.7
119.08590	15.0
121.06495	2.9
121.10150	8.9
123.08056	1.4
123.11726	1.3
129.07022	1.7
131.08591	13.4
133.10156	11.8
135.08064	1.8
135.11708	6.6
137.09610	1.7
142.56346	0.9
145.10152	8.2
147.11655	5.9
149.09622	1.7
157.10120	1.6
159.11732	5.6
161.13278	1.3
173.13249	2.7
177.12721	1.4
179.14325	1.6
185.13344	2.6
201.16367	2.0
203.14359	1.5
219.17455	59.9
257.19101	2.4
261.22046	1.1
275.20093	17.5
293.20969	1.2
304.68381	1.0
327.22125	1.0
335.25806	50.6
349.23737	18.7
462.39059	1.0
475.01251	0.9
609.45184	100.0
610.45520	2.7
837.02374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	19.1
57.07078	8.3
67.05512	100.0
69.07082	34.7
69.47607	6.9
69.99220	27.5
79.05496	99.3
81.07053	87.5
83.08613	17.3
88.01741	6.5
91.05486	77.8
93.07053	93.9
95.04990	7.8
95.08614	73.2
105.07027	82.1
107.08605	54.8
109.10155	23.0
117.07025	25.5
119.08590	64.0
121.10149	50.5
123.11692	10.6
129.07005	10.5
131.08574	38.8
133.10144	39.0
135.11679	24.7
143.08528	10.8
145.10130	33.8
147.11673	38.5
149.13254	7.8
157.10214	14.5
159.11696	31.0
161.13251	19.4
163.41096	7.4
163.90833	7.7
171.11636	12.3
173.13310	22.4
175.14867	11.9
185.13313	7.9
187.14865	7.9
192.04900	6.7
197.78755	6.6
209.28149	7.1
241.19519	19.7
247.37354	8.9
259.20612	76.1
261.22177	13.0
286.94147	7.7
333.24240	53.1
335.25876	65.1
425.73529	8.9
593.45569	10.3
611.46954	69.5
708.74902	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	808.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	16.2
57.07059	6.4
60.12725	1.5
61.02925	3.3
64.29327	1.8
65.03947	5.3
67.05510	100.0
69.03412	2.3
69.07075	27.0
69.39867	3.3
69.40275	8.3
71.04981	3.5
71.08622	2.3
73.84775	1.6
79.05500	92.8
81.03436	2.4
81.07063	93.8
83.04972	4.4
83.08624	14.2
85.02898	2.0
85.06545	2.8
86.09700	2.2
91.05487	74.9
93.07053	89.6
95.04984	10.1
95.08610	67.7
97.02879	1.9
97.06538	6.1
97.10176	6.1
99.08105	3.5
103.05452	1.7
105.04452	2.6
105.07037	75.5
107.08599	52.8
109.06499	2.9
109.10163	31.8
111.08092	1.8
115.05466	2.7
117.07037	25.6
119.08592	62.1
121.10149	40.2
123.11695	9.4
129.07024	16.1
130.07817	3.0
131.08583	39.0
133.10147	48.2
135.11697	28.2
137.09625	3.2
137.13254	2.0
141.07022	2.5
142.07855	1.7
143.08577	13.2
145.10147	32.8
147.11697	41.3
149.09622	2.9
149.13298	16.1
155.08514	2.6
157.10168	13.5
159.11716	29.3
161.13277	27.3
163.14815	6.7
169.10124	5.4
171.11700	15.1
173.13286	17.7
175.11218	1.7
175.14799	11.4
177.12660	2.7
183.11774	5.2
184.07364	8.1
185.13261	12.3
187.14850	5.1
197.13361	3.0
199.14894	8.0
201.16357	4.6
209.13243	2.4
211.14832	4.0
213.16475	3.0
215.17833	1.8
223.14838	1.9
231.21097	6.1
239.17926	3.6
241.19572	25.9
243.21196	3.6
257.19073	8.7
259.20587	68.7
261.22266	12.5
271.20694	2.0
275.20111	3.0
299.23999	2.0
315.23172	5.5
325.25378	2.2
331.22665	3.3
333.24231	56.9
335.25839	94.7
337.27579	3.7
351.25354	2.2
473.96265	2.0
519.41608	3.4
523.37201	2.2
593.45734	11.2
611.46716	62.1
623.47034	2.2
701.47125	2.6
737.49805	2.8
840.17383	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	810.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06636	0.5
58.12655	0.1
59.07390	0.1
60.08166	5.8
65.43019	0.1
67.05518	0.2
69.51814	0.3
69.52219	0.2
70.06583	0.1
71.07379	3.8
79.05490	0.2
81.07084	0.1
86.09709	31.1
91.05505	0.3
92.19446	0.1
93.07054	0.2
95.08630	0.2
98.21552	0.2
98.98472	3.4
104.10747	2.3
105.07056	0.2
107.08588	0.1
109.10207	0.1
125.00011	21.2
131.08513	0.1
133.09929	0.1
143.01039	0.2
162.82413	0.1
166.02722	0.2
184.07347	100.0
185.07704	0.4
291.92310	0.1
329.58835	0.1
434.05545	0.1
445.83414	0.1
498.29770	0.1
516.30927	0.2
774.50690	7.3
775.50049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53130	0.3
70.54753	0.8
85.02885	0.4
88.15401	0.3
93.65302	0.2
103.05469	0.3
121.06522	1.4
143.04710	0.8
163.03941	0.5
188.73891	0.2
191.95169	0.3
233.04272	0.5
265.06866	0.9
273.92673	0.3
325.10431	0.8
353.09979	2.5
357.13113	4.9
385.12598	17.3
410.37924	0.3
417.15213	100.0
418.15515	2.2
734.41559	0.3
811.26703	0.6
817.41058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04550	0.3
65.36270	0.3
70.06586	0.4
70.58013	0.3
71.04992	0.5
71.57101	0.4
85.02916	0.7
91.05464	0.3
110.03309	0.3
117.07077	0.3
121.06532	2.2
143.04689	1.1
163.03888	1.2
192.08244	0.3
222.11317	0.4
233.04134	0.5
265.06924	1.4
266.10330	0.5
279.08527	0.6
297.09695	0.3
308.11649	0.4
325.10291	0.8
353.10031	3.0
357.13071	5.7
357.28452	0.3
385.12585	15.9
417.15225	100.0
418.15506	2.3
555.67279	0.3
624.60034	0.3
811.31604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.4
59.24141	1.5
61.02911	4.8
65.03919	2.2
67.05509	19.6
69.03431	8.4
69.07072	19.0
69.76699	7.4
70.06600	2.3
71.01376	2.6
71.04984	2.2
73.02923	4.1
79.05489	11.9
81.03427	2.3
81.07067	44.5
83.08619	6.3
85.02912	52.7
87.04464	2.2
91.03934	3.0
91.05490	16.3
93.07053	34.6
95.01347	25.2
95.08615	70.0
97.02910	20.5
97.10184	4.4
98.21445	2.4
99.00806	2.5
99.04530	2.4
101.02401	1.9
103.03943	3.4
103.05443	2.0
105.07040	36.3
107.08607	53.3
109.02873	4.7
109.10165	51.4
109.46188	2.1
111.08096	23.6
113.02405	5.2
117.07051	2.7
119.08593	54.7
119.09465	2.6
121.10145	41.6
123.11730	13.6
125.09599	2.5
127.03934	10.9
131.08549	13.1
133.10138	44.3
135.11703	19.8
137.05998	5.0
137.13257	4.0
139.07550	1.9
139.11177	3.6
141.01834	81.2
143.08574	4.6
145.02878	3.0
145.04974	26.8
145.10132	21.3
147.11700	36.3
149.13269	58.3
153.09134	4.3
157.10153	6.8
159.02892	17.6
159.11710	23.2
161.09621	2.6
161.13272	37.0
163.03929	4.2
163.06085	10.0
163.07294	2.1
163.11128	2.6
163.14836	28.0
165.09091	2.8
165.16423	2.3
166.92114	1.9
167.03366	1.8
169.10144	2.5
171.11710	4.2
173.13277	16.4
175.11252	2.0
175.14819	26.2
177.03976	3.4
177.05466	3.6
177.16403	26.7
180.06624	2.5
185.13295	3.6
187.14848	23.3
189.16406	71.7
189.18127	4.0
191.14426	2.8
191.17978	14.0
195.17244	2.0
197.13277	2.1
199.14795	2.8
201.14572	3.1
201.16402	46.9
203.14424	2.4
203.17976	74.7
205.15887	13.4
205.19513	7.8
207.17461	12.6
213.16371	9.0
215.17957	27.9
217.19507	6.0
219.17464	5.2
221.15302	2.3
221.18988	5.9
225.16299	3.3
227.18021	4.9
229.19493	8.6
233.18861	1.9
235.16995	7.3
239.17805	3.9
241.19548	3.8
243.21071	3.0
247.16948	8.9
249.18517	9.0
255.21103	2.8
261.18442	4.3
267.21127	3.4
269.22708	2.0
273.18445	2.2
283.24274	4.2
321.08194	4.9
329.24640	5.9
343.26294	3.6
351.30502	6.4
354.63974	2.2
391.33545	21.1
397.31042	16.3
409.34677	65.3
411.36337	3.7
425.34070	7.1
427.35754	3.9
437.34192	100.0
438.34189	2.2
455.35220	49.5
567.36603	8.5
595.36261	3.1
613.36945	3.6
631.23804	3.4
811.43555	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	811.497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.3
61.02932	5.9
63.72467	0.3
65.44050	0.3
67.05508	5.7
69.03436	3.7
69.07086	1.5
69.07433	0.3
70.73992	0.6
71.04986	0.6
71.19818	0.3
73.02927	4.2
79.05497	4.5
81.03435	2.0
81.07064	5.1
83.04971	0.4
83.08643	0.8
85.02911	5.4
85.06550	0.4
87.04477	0.4
91.03971	3.7
91.05500	3.9
91.67298	0.3
93.07044	5.0
95.04980	0.5
95.08609	4.3
95.96928	0.3
97.02895	4.4
97.06590	0.4
97.10220	0.4
99.04491	1.0
101.02402	1.4
103.03964	0.4
105.07043	2.5
107.04957	0.8
107.08619	2.8
109.02946	0.7
109.06538	0.6
109.10199	1.6
117.07055	1.4
119.08588	2.6
121.10162	2.3
127.03900	1.5
131.08586	1.3
133.10152	1.2
135.11725	1.3
145.10184	1.1
147.11739	0.9
149.09688	0.6
149.13240	0.4
159.11684	0.6
173.13277	0.4
185.04305	1.0
198.07819	0.3
219.17371	1.5
243.08437	2.7
275.20316	0.6
315.19281	4.7
315.22485	0.4
335.26001	0.5
371.22049	0.6
416.96991	0.3
497.14050	0.4
509.50403	0.3
519.29285	6.6
519.37036	0.4
533.27173	6.1
662.79810	0.3
682.43140	0.3
811.49701	100.0
812.49915	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	812.5444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06625	0.4
60.08166	5.4
67.05517	0.2
71.07376	3.6
71.08488	0.2
71.57956	0.2
79.05466	0.2
81.07071	0.4
82.05669	0.2
84.16936	0.2
86.09712	29.5
91.05485	0.4
93.07047	0.3
97.82516	0.2
98.98473	3.0
104.10746	2.2
116.10021	0.2
121.06528	0.3
123.28583	0.2
125.00016	20.0
143.00943	0.2
161.86430	0.2
166.02745	0.2
178.39645	0.2
184.07353	100.0
185.07747	0.2
204.10188	0.3
499.15573	0.4
549.01593	0.2
609.87122	0.2
625.90997	0.2
776.52271	8.5
777.52112	0.3
812.49567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.3
57.07081	1.2
58.65449	1.0
61.02932	8.4
65.03978	1.4
67.05508	11.1
69.03426	15.1
69.07074	11.2
69.46430	8.3
70.06560	1.5
71.04996	2.9
73.02916	3.3
77.03984	1.0
79.05499	7.8
81.03423	6.0
81.07063	25.9
83.08620	7.6
85.02909	100.0
87.04478	1.7
87.11459	1.0
91.03948	4.8
91.05482	10.5
93.07046	27.8
95.04991	1.5
95.08613	43.3
97.02283	1.7
97.02894	27.7
97.06516	1.2
97.10175	3.4
99.04456	4.9
99.08096	4.1
105.06383	2.1
105.07039	28.2
107.08599	34.2
109.02887	7.5
109.06536	1.8
109.09555	1.1
109.10158	32.1
110.10503	1.0
111.08086	8.5
111.11704	1.5
112.33988	1.0
115.03937	2.0
117.07025	3.7
119.08586	45.7
121.06531	1.3
121.10147	24.0
123.08060	1.3
123.11720	8.9
127.03922	20.6
129.06990	2.7
131.08585	17.2
133.10138	25.2
135.10715	1.2
135.11693	16.6
137.05988	2.6
137.09731	1.1
137.13223	2.4
139.11186	2.0
143.08582	7.1
145.04967	42.1
145.10126	27.2
147.04425	2.1
147.11687	32.4
149.13264	33.9
151.07417	1.8
153.09148	1.9
153.12732	1.3
155.08559	2.3
157.10135	9.8
158.10883	1.7
159.11700	26.0
160.77238	1.1
161.13268	22.0
163.06029	18.6
163.07590	3.3
163.11147	1.3
163.14813	11.0
169.10179	5.3
171.11673	8.2
173.13283	18.1
175.14850	16.0
175.81796	1.0
176.80785	1.0
177.05504	1.8
177.16385	13.0
179.14417	1.4
181.10103	1.5
183.11682	5.7
185.13281	11.8
187.14828	20.5
189.08911	1.2
189.16396	32.3
191.17978	4.5
195.11713	2.4
195.17490	2.6
197.13327	6.2
198.97017	1.2
199.14821	14.7
201.16402	34.7
203.14343	4.7
203.17938	13.9
205.15886	7.4
207.17448	23.5
209.13290	3.0
211.14815	5.6
213.16371	13.8
215.17946	8.8
217.15892	2.3
217.19543	2.3
219.13840	2.6
219.17487	5.9
221.15433	2.4
221.19034	1.5
223.14888	2.7
225.16498	5.3
227.17993	5.0
229.15712	1.2
229.19623	1.8
231.13933	1.5
233.15446	3.9
233.18973	2.8
237.16351	2.1
239.17995	3.8
241.19400	5.0
243.21101	1.6
245.15381	5.4
245.19145	1.3
247.16913	6.9
249.14783	2.4
251.18013	1.8
253.19530	3.3
254.20697	1.1
255.21095	2.8
259.16895	4.2
261.22250	2.0
265.19556	2.7
267.21033	6.1
269.22507	1.5
271.16904	1.8
277.19632	1.5
279.20999	3.2
280.93488	1.2
281.22504	2.8
283.24127	2.1
285.18430	2.3
287.20117	3.2
297.18509	2.2
299.20175	2.7
307.23987	1.3
313.21359	1.7
325.11240	3.9
325.21484	1.7
327.22952	1.5
351.23074	1.3
353.24777	1.3
367.30029	5.6
377.32416	1.7
379.26196	1.6
389.32068	10.7
395.29379	8.0
407.33130	33.5
409.34650	4.2
413.30368	6.2
423.32657	13.1
425.34140	11.5
435.32614	77.4
436.32956	2.4
441.33350	1.8
453.33658	61.2
455.35071	1.3
471.34674	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	813.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.9
67.05505	8.2
67.40951	2.9
69.03435	3.7
69.66076	14.2
70.42158	2.8
70.85041	2.4
73.02905	5.6
79.05476	6.2
81.03419	3.0
81.07057	6.3
84.45226	2.5
85.02901	7.1
91.03976	3.6
93.07047	5.4
94.32596	2.7
97.02923	6.8
98.33817	2.5
107.08611	3.0
119.08569	3.3
121.10154	3.1
243.08533	3.4
247.84619	2.8
519.29437	8.5
535.28931	5.0
813.51093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.0
61.02935	4.1
61.39363	2.7
67.05503	6.4
69.03428	2.8
69.07077	2.9
69.21729	2.2
69.22007	25.8
73.02898	2.7
79.05468	4.9
81.03428	3.2
81.07059	5.9
84.98476	2.9
85.02917	4.7
91.03958	4.4
91.05488	3.9
93.07064	4.6
95.08620	5.6
97.02922	3.3
105.07046	3.2
119.08616	2.9
121.10185	2.2
124.74876	2.6
170.27324	2.2
183.78850	2.6
243.08229	2.8
294.50549	2.2
388.39493	2.9
519.29156	8.3
535.28510	4.1
813.51233	100.0
814.51996	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	814.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.1
57.07074	2.2
59.04998	1.4
61.02694	0.7
61.02934	9.1
63.05877	0.9
65.03933	0.8
67.05515	5.0
69.03080	1.2
69.03435	19.7
69.07071	7.8
70.06575	0.9
70.16574	1.7
70.16943	1.8
71.04996	2.0
73.02918	5.0
79.05489	4.7
81.03422	7.2
81.07064	11.8
82.90695	0.7
83.08607	3.0
85.02910	100.0
85.98590	0.8
86.09714	1.4
87.04465	2.3
91.03983	5.8
91.05479	6.6
93.07057	13.3
95.04965	2.5
95.08609	21.5
97.02279	1.6
97.02896	32.3
97.06516	1.2
97.10164	1.9
99.04462	4.6
102.18506	0.9
103.03974	0.8
103.05482	1.4
105.07037	11.4
107.08599	23.0
109.02882	8.2
109.06535	1.6
109.10164	16.7
111.08094	1.5
115.03905	1.2
117.07004	2.2
119.08589	18.8
121.06494	4.8
121.10146	21.4
123.08053	1.1
123.11720	9.0
125.09583	1.2
126.84201	1.0
127.03918	25.7
129.06940	1.0
131.08598	7.5
133.10138	15.3
135.11703	15.8
137.05962	2.2
137.09572	0.9
137.13275	2.4
142.71712	0.8
143.08530	1.5
144.06494	1.1
145.03006	1.3
145.04965	37.6
145.10141	11.7
147.04433	1.1
147.11691	9.5
149.13272	7.5
151.11182	1.1
153.09125	1.7
153.12733	1.9
157.10149	2.7
157.60240	0.9
158.10997	1.0
159.11710	23.7
160.12509	1.0
161.13275	15.0
162.34482	0.9
163.03972	1.8
163.06032	13.2
163.07422	1.5
163.14819	7.0
171.11679	4.7
173.11942	1.5
173.13281	17.4
175.14813	12.8
177.05489	1.2
177.16365	7.3
179.14325	17.8
180.06628	1.4
181.12262	1.8
183.11632	1.1
185.13255	4.6
186.14043	10.2
187.14835	12.8
189.09044	0.8
189.16403	9.5
191.14304	2.1
191.17896	3.9
197.13268	1.1
199.14847	5.6
201.16438	9.9
203.17982	7.3
205.15964	2.0
207.13800	1.4
207.17444	8.1
213.16396	3.3
214.17171	5.4
215.17976	11.5
217.19437	0.9
221.15427	1.2
221.18913	0.8
227.17929	2.0
229.09464	0.9
229.19524	89.0
230.19876	2.2
231.21117	1.5
233.18968	2.9
239.17999	1.1
241.19479	1.8
247.16711	1.8
247.20589	71.3
254.69626	1.0
255.21016	4.3
257.22690	2.6
267.21054	1.8
269.22534	1.2
271.08069	1.1
271.24301	1.5
275.23672	1.0
285.22150	2.7
289.09149	1.3
297.22101	1.4
301.21619	1.1
303.23196	2.6
325.11169	3.0
342.14227	1.5
353.19724	1.1
391.33633	7.0
409.34680	30.0
419.33243	2.7
427.35724	17.3
437.34213	27.8
455.35208	40.5
581.38062	1.2
599.39740	6.8
623.11426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.2
67.05499	0.6
69.07063	0.2
69.26883	1.1
69.27307	0.4
69.68901	0.1
72.30919	0.2
77.03929	0.2
77.36301	0.1
78.63150	0.1
79.05493	0.5
81.07063	0.7
91.05486	4.4
93.07053	5.7
94.72430	0.2
95.04980	1.1
95.08601	0.5
98.98473	3.0
102.49562	0.2
103.05474	3.6
105.04507	0.4
107.08635	0.3
109.10198	0.1
115.05481	0.6
117.05764	0.5
117.07064	0.3
118.06548	0.7
119.04982	0.2
121.06516	27.9
122.06840	0.3
123.90601	0.2
125.00014	10.5
128.56912	0.2
142.06569	0.4
143.07320	0.6
144.04463	0.5
144.08107	2.4
146.06024	2.4
159.56700	0.1
162.05550	0.5
162.09097	0.2
168.66043	0.1
170.06020	2.3
172.07584	8.1
176.07050	0.9
178.08649	6.8
183.02124	0.3
188.07101	3.4
190.04979	0.4
190.08655	1.2
196.09738	0.7
198.05524	1.4
201.03128	0.5
202.07219	0.1
202.08653	7.0
204.06557	1.4
204.10222	39.1
205.10533	0.4
206.08153	0.3
206.11798	0.2
208.09673	0.3
216.06584	2.3
220.09758	0.9
222.07788	2.8
222.11255	8.3
230.08153	4.5
232.09752	0.3
234.07645	0.6
240.08725	0.2
240.12354	0.5
248.09209	19.4
249.09732	0.2
266.10257	2.8
270.05371	0.5
286.04745	0.6
288.06204	0.2
300.06305	1.4
302.07907	6.7
314.04239	1.9
320.08871	1.1
328.05856	2.7
332.05322	0.8
335.25809	0.2
346.06891	27.5
347.07449	0.3
360.14355	0.3
364.07886	1.5
368.15042	0.6
386.15979	4.7
404.17203	2.7
448.12051	0.2
466.12704	1.9
484.13721	100.0
485.14047	1.6
558.17664	0.2
800.37695	1.4
818.38641	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	818.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68325	0.8
61.88111	0.9
65.03949	1.0
66.98163	1.0
67.05506	4.2
69.07094	1.7
77.03944	1.1
79.05495	3.6
81.07063	4.3
86.28164	0.9
91.05489	15.8
93.07046	17.1
95.04970	3.6
95.08632	2.4
98.98505	6.2
103.05475	11.2
105.07059	2.0
109.10182	1.8
115.05504	1.6
117.07020	1.3
118.06564	4.1
119.08653	1.6
121.06519	76.4
125.00018	20.2
133.10176	1.2
142.06537	0.9
143.07289	1.8
144.04492	1.3
144.08078	6.6
144.93094	1.0
146.06021	12.4
149.13351	1.2
162.05556	3.5
164.07152	1.5
170.06061	5.5
172.03954	1.6
172.07596	17.8
176.07091	2.4
178.08650	26.0
179.73346	1.0
183.02234	1.2
184.07390	1.4
188.07091	11.0
190.04999	2.1
190.08638	8.0
196.09767	2.5
198.05533	3.1
201.03214	2.7
202.08643	15.2
204.06602	4.0
204.10228	78.3
206.08174	4.8
208.09818	2.0
216.06544	10.2
220.09717	9.4
222.07993	5.8
222.11263	51.4
227.04892	1.1
230.08153	13.4
230.10229	1.1
234.07582	5.6
240.12376	7.8
248.09210	47.2
252.08797	1.0
266.10272	54.7
267.10675	1.1
270.05310	1.5
284.11224	2.4
288.06418	1.1
300.06503	2.7
302.07886	9.7
305.13126	0.9
314.04391	3.3
320.09036	2.1
328.05893	4.0
335.25851	1.2
346.02649	2.2
346.06891	43.3
364.08133	2.4
368.15121	2.2
369.29745	1.1
386.16013	12.8
404.17090	100.0
405.17429	2.1
466.12711	3.3
484.13748	89.5
485.14005	1.3
680.32019	3.1
800.37616	11.3
818.38690	66.3
819.39148	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	821.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.6
59.05012	5.7
67.05505	0.6
69.03440	0.6
70.06245	0.7
70.06595	8.3
71.04992	1.1
72.08150	1.1
77.03937	1.1
79.05490	1.8
80.05001	0.6
81.03413	1.2
81.07039	0.8
84.08150	15.3
85.02903	1.2
85.06519	0.8
91.05482	10.6
93.06467	0.9
93.07050	14.2
95.04972	3.5
103.05470	10.3
105.04509	2.1
105.07034	0.9
106.06570	3.8
107.04980	1.0
108.08156	0.8
109.02870	4.0
114.09201	0.6
117.05737	0.5
118.06535	1.1
119.04982	0.5
120.05825	0.5
120.08087	1.5
121.06515	100.0
122.06849	1.7
122.09705	0.8
124.07604	20.9
125.02383	4.8
126.09150	1.0
127.03954	0.6
130.06552	0.6
132.08046	0.5
133.08911	0.6
134.05995	1.4
134.09712	1.0
135.04434	1.4
137.05974	1.1
138.05518	3.3
139.03911	5.4
140.03447	1.8
144.04402	0.6
146.06036	1.8
148.07597	0.8
148.11201	1.3
150.09154	4.1
151.03915	2.2
152.07066	4.5
152.10748	2.0
153.05490	1.4
154.05019	1.6
156.10210	6.4
160.07581	0.6
160.11250	0.8
163.03940	2.9
164.07062	4.9
165.05505	1.2
166.05055	0.5
166.08629	2.7
167.07112	1.2
168.06575	1.3
168.10234	3.6
170.09821	0.5
172.11279	1.4
174.09183	0.7
176.07109	2.4
176.10741	1.5
178.08644	18.7
178.12227	4.0
179.21344	0.5
180.10075	0.6
182.11797	2.0
190.08665	1.0
192.10210	18.2
192.11925	1.1
192.83115	0.5
194.08139	22.7
194.11833	1.1
196.09706	6.0
200.10736	1.6
202.08736	0.7
202.12289	1.1
204.06535	1.5
204.10219	6.8
206.11790	1.7
208.09689	4.5
208.13385	0.5
210.11285	2.3
213.09198	0.5
216.10106	1.1
217.11092	0.8
218.08284	0.7
218.11775	9.7
219.12549	1.0
220.09747	1.6
220.13400	1.4
222.07719	4.5
222.11249	9.4
226.10767	3.8
230.11870	0.7
232.09721	4.1
232.13301	3.7
234.11288	0.9
236.12807	4.5
238.10747	9.0
244.09805	1.1
246.11391	1.0
250.10774	2.7
250.14412	5.2
252.12291	0.9
258.11224	1.2
260.12808	0.7
264.12338	19.7
276.12411	2.7
278.13940	2.1
288.16061	0.7
296.15009	1.9
316.15396	0.9
324.15964	0.7
332.15021	0.7
346.16550	8.6
355.16522	1.4
356.18585	0.8
358.16434	3.7
372.18353	0.8
374.16040	5.1
381.18286	0.6
384.18112	7.4
398.19760	2.0
399.15396	0.6
413.17020	2.9
416.20758	9.3
428.20724	0.7
430.22406	1.6
439.18747	3.3
448.23352	23.0
545.22827	0.9
619.26788	2.0
633.27429	0.5
739.32764	1.2
745.33893	0.9
771.35114	3.3
789.36346	1.0
803.37109	6.6
821.38599	66.6
822.39124	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	821.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	6.7
59.22337	0.5
67.05514	0.5
69.03417	0.6
70.06599	6.4
71.04998	1.2
71.56380	0.7
72.08150	1.3
73.06548	0.6
77.03946	0.9
79.05489	2.5
81.03429	1.2
81.07053	0.5
84.08152	21.3
85.02899	1.2
85.06549	1.0
91.05484	10.5
93.07050	13.8
95.04956	2.9
96.04527	0.7
97.02898	1.9
103.05481	9.7
105.04527	1.0
105.07037	0.7
106.06567	3.7
107.04996	0.5
108.08142	1.1
109.02894	6.0
117.05806	0.4
118.06555	0.8
119.08593	0.5
120.08106	1.6
121.06519	100.0
122.06851	1.3
122.09716	0.6
123.04408	0.5
124.07607	19.7
125.02381	5.3
126.09138	0.9
132.08122	0.6
134.06047	1.1
134.09694	0.9
135.04424	1.3
135.08104	0.5
138.05489	2.6
139.03920	5.2
140.03450	2.1
144.04521	0.5
146.06017	1.3
146.09746	0.5
148.07591	0.7
148.11246	1.4
150.09160	4.1
150.12776	0.8
151.03940	1.7
151.06259	0.5
151.07497	0.5
152.07074	3.6
152.10675	2.3
153.05510	1.6
154.05014	1.4
154.08618	0.6
156.10236	4.7
158.09682	0.8
160.07616	1.0
160.11194	0.7
163.03925	1.9
164.07097	5.1
165.05563	0.6
166.08626	2.3
168.06569	0.7
168.10229	4.5
172.11250	2.2
173.11967	0.6
174.09099	0.8
176.07095	1.5
176.10739	1.0
178.08659	18.3
178.12192	2.5
180.10263	0.7
182.11726	2.2
186.09184	0.5
190.08727	1.4
192.10216	20.8
194.08156	25.2
194.11896	1.1
196.09724	5.6
198.09167	0.9
200.10789	1.6
202.08734	0.8
204.06677	1.0
204.10220	8.1
206.11833	2.0
208.09694	4.5
208.13278	0.6
210.11281	1.1
212.09300	0.5
216.10310	1.3
217.10863	0.5
218.11760	15.1
218.13809	0.8
219.12570	1.5
220.09698	2.5
220.13383	1.0
222.07768	2.5
222.11261	9.1
226.10736	4.0
228.10295	1.0
230.11876	1.1
232.09738	3.6
232.13350	3.8
234.11296	0.9
236.12837	5.1
238.10782	8.7
238.13077	0.5
244.09833	1.8
246.11316	1.0
250.10802	0.7
250.12021	0.6
250.14357	4.7
252.12448	1.0
258.11362	0.9
264.12341	15.5
264.15125	0.9
268.15292	0.5
276.12283	3.7
278.13815	2.3
288.15958	0.9
296.14948	1.0
316.15469	1.1
324.16095	1.6
332.15076	1.5
346.16580	11.3
355.16620	1.6
358.16559	3.5
372.18204	1.8
374.16156	1.2
381.18484	0.7
384.18097	8.1
398.19843	2.0
399.15704	0.7
413.17059	3.1
416.20670	5.7
428.20728	1.0
430.22482	1.7
431.23215	0.7
439.18689	3.8
448.23337	19.5
450.63544	0.5
461.37439	0.5
504.15817	0.5
519.21967	0.6
545.23077	1.1
593.25122	1.0
619.26727	1.8
629.27655	0.7
739.32428	1.3
745.34082	0.9
771.34906	3.7
785.33435	0.5
803.37518	9.9
821.38629	72.0
822.39185	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	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	10.6
57.07090	2.9
60.81623	2.5
61.02922	2.9
65.03937	4.7
67.05510	97.0
69.03431	8.9
69.07076	22.7
69.31176	25.4
71.05000	6.1
71.08647	3.0
76.71513	2.8
79.05501	78.1
81.03403	7.9
81.07062	93.8
83.04986	30.5
83.08625	11.4
85.06551	5.0
86.09718	8.1
91.05481	69.2
93.06466	4.8
93.07053	79.7
95.04972	13.2
95.08617	53.0
97.02886	6.4
97.06517	7.9
97.10181	6.6
98.20695	5.8
105.04538	2.8
105.07035	61.7
107.04941	13.8
107.08603	49.0
109.06508	9.5
109.10166	55.4
111.08114	6.7
117.07000	13.3
119.08588	25.8
121.06499	10.1
121.10148	27.1
123.08044	7.3
123.11671	11.2
125.00011	6.1
125.09630	6.5
129.07008	6.2
131.08563	22.9
133.06534	5.3
133.10143	57.0
134.56718	2.6
135.08054	7.0
135.11710	17.3
137.09663	2.9
143.08560	5.8
145.10158	13.2
147.07976	6.2
147.11696	16.0
149.09653	8.0
149.13234	7.3
151.11195	20.9
157.10100	6.4
159.11679	6.3
161.09628	10.2
161.13245	6.1
163.11200	4.1
163.14951	2.8
169.10121	4.2
169.12175	4.3
171.11644	6.3
173.13243	5.5
175.11304	3.6
175.14862	3.3
177.16368	3.5
184.07329	22.9
185.13203	2.9
187.11282	3.3
189.12753	2.8
191.14442	3.9
215.12738	4.0
223.13411	5.0
245.19046	6.5
251.12872	3.5
253.14355	58.1
254.54076	3.0
255.17441	3.8
261.22153	12.9
263.20148	3.5
271.15244	3.2
273.18527	35.8
275.20087	4.5
291.19598	42.1
309.20691	4.7
317.25113	3.2
335.25803	77.9
347.22214	12.0
365.23239	63.2
439.49109	3.4
457.32925	3.6
531.36786	11.4
607.43256	9.8
625.44684	100.0
822.48682	72.7
823.51813	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	8.9
57.07062	1.5
61.02956	1.2
64.82948	1.1
65.03930	3.0
67.05506	62.1
69.03424	8.0
69.06721	2.2
69.07070	30.1
70.50616	3.8
71.04975	4.0
79.05497	47.8
81.03409	5.0
81.07059	57.5
83.04984	4.4
83.08609	10.4
85.02878	2.1
85.06541	1.6
86.09668	1.2
87.04451	1.2
91.05486	25.8
93.06464	2.4
93.07045	41.6
94.07330	1.2
95.04969	9.5
95.08607	37.0
97.02892	10.4
97.06533	3.9
97.10168	12.2
105.07040	19.0
107.04960	5.3
107.08601	24.1
109.06530	2.7
109.10156	17.2
110.04919	1.4
111.08078	3.7
114.97655	1.3
117.07027	9.6
119.08589	16.6
121.06506	3.9
121.10140	16.2
123.08076	3.7
123.11689	4.1
125.00057	1.4
125.09624	8.5
129.07033	3.2
131.08569	12.6
133.06519	2.0
133.10118	11.0
135.08041	4.6
135.11714	8.9
136.98750	1.1
137.09630	2.1
143.00459	1.2
143.08585	2.3
145.10149	8.7
147.08055	5.0
147.11699	3.3
149.09669	1.8
149.13252	4.0
151.11243	1.9
157.10139	3.4
159.11595	2.6
161.09613	2.9
161.13271	2.7
163.14845	2.4
165.09154	1.8
171.11713	2.0
173.13251	3.0
175.11281	1.5
184.07329	5.7
185.13162	1.3
189.11180	3.4
190.08713	1.4
195.13751	1.9
205.12207	1.8
223.13278	18.5
227.12823	2.2
243.21039	2.5
249.14894	3.4
261.22162	7.3
263.20157	1.3
273.18518	10.2
291.19550	91.9
299.23193	1.3
317.24606	3.0
335.25821	91.2
336.26370	1.3
347.22238	1.6
365.23221	52.3
527.37402	2.7
528.10742	1.7
545.38239	3.7
607.43207	1.7
625.44653	100.0
626.44684	3.7
732.27496	1.4
822.47119	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.2
65.03929	3.1
67.05507	89.7
69.03424	7.5
69.07070	27.4
69.53017	12.8
71.04993	4.7
73.02924	2.1
77.88404	1.6
79.05497	71.7
81.03410	8.0
81.07063	85.2
83.04993	8.7
83.08630	11.8
85.02890	5.2
85.06540	5.7
91.05488	53.3
92.66251	1.9
93.07050	77.7
95.04976	9.6
95.08612	60.2
97.02915	3.4
97.06545	10.9
97.10166	5.2
99.08101	3.8
105.07035	37.4
107.04945	5.2
107.08600	39.2
109.02901	2.1
109.06516	5.9
109.10167	21.3
111.08066	4.4
113.36956	1.7
117.07033	21.9
119.08582	34.0
121.06503	3.4
121.10140	29.7
123.08067	4.5
123.11726	8.3
125.09655	2.8
127.03909	2.6
129.06993	5.0
131.08574	27.0
133.06355	2.1
133.10149	23.8
135.08073	2.2
135.11690	17.5
137.09605	3.8
137.13158	1.7
143.08545	7.4
145.04892	1.9
145.10133	16.8
147.08078	1.8
147.11687	15.0
149.09598	7.4
149.13263	9.5
151.11221	2.7
153.09138	1.9
157.10127	5.4
159.11697	17.1
161.09604	1.7
161.13252	5.6
163.11163	3.7
163.14769	2.4
165.12749	1.8
168.32816	1.7
169.10110	3.2
171.11678	3.8
173.04425	2.8
173.11925	2.1
173.13257	9.2
173.64452	2.0
175.14899	2.4
181.45749	2.0
183.11707	2.0
185.13220	5.9
187.14848	3.2
189.16252	2.0
195.13773	2.0
197.13275	2.2
199.14793	3.2
201.16444	1.9
203.14326	2.4
217.15968	2.6
219.17491	3.7
227.12752	3.3
229.14355	6.4
236.14368	1.9
239.17982	3.9
243.21097	3.9
255.15857	2.5
257.19009	7.3
259.20636	2.0
261.22101	11.7
264.27463	1.7
267.15869	2.3
267.19604	2.2
269.17511	16.2
275.17184	3.3
275.20062	23.5
283.19110	3.7
291.19617	3.0
309.20529	10.0
317.24814	5.2
331.22888	2.3
335.25818	100.0
336.26053	2.3
349.23767	23.0
367.24686	5.3
413.21487	2.7
489.35623	6.3
515.37170	8.6
529.38867	50.2
543.40222	4.2
569.42151	23.9
609.36053	2.8
609.45068	27.7
627.46558	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	1.1
61.02908	3.2
65.03925	2.5
67.05506	42.9
69.03423	1.9
69.06723	1.1
69.07073	15.6
69.07445	1.2
71.01411	0.9
71.01751	1.5
71.04988	2.2
73.02905	1.4
75.57391	0.7
77.03896	0.8
79.05492	41.3
81.03414	2.0
81.06582	2.0
81.07059	40.0
83.04967	2.8
83.08622	7.5
85.02899	2.7
85.06516	1.2
91.03981	1.0
91.04893	1.3
91.05480	41.6
93.07046	45.1
95.04963	3.2
95.08609	34.9
97.02888	1.9
97.06506	3.2
97.10148	3.0
99.08071	1.5
99.96553	0.8
103.05448	2.6
105.04534	1.0
105.07031	42.4
107.04939	2.1
107.08596	23.7
109.06489	2.0
109.10152	13.3
111.08100	1.9
111.11748	1.2
115.05452	3.3
116.06243	1.0
117.06211	1.5
117.07012	20.5
119.08587	34.1
121.06507	1.0
121.10141	17.4
123.08090	2.1
123.11680	3.9
124.99992	1.0
125.09656	1.1
128.06200	3.3
129.05481	1.1
129.06999	13.8
130.07806	2.0
131.08572	23.6
133.10135	25.3
135.08018	1.2
135.11702	9.6
137.09575	1.5
137.13248	1.9
141.07001	6.5
142.07764	2.9
143.08560	12.5
145.09032	1.7
145.10123	23.6
147.11697	15.6
149.09605	1.2
149.13251	6.8
153.06989	1.1
155.08546	10.7
156.09364	1.6
157.10124	15.2
158.10663	0.9
159.11697	16.6
161.09578	0.9
161.13249	8.1
163.11191	1.2
163.14818	2.3
165.07057	1.4
167.08563	3.4
168.09340	2.3
169.08710	1.5
169.10120	14.7
170.10889	0.8
171.11687	14.2
173.09724	0.8
173.13243	10.5
175.11177	1.4
175.14801	4.3
179.08565	1.2
181.10130	7.7
182.10945	1.1
183.11699	13.5
184.07346	3.5
185.13231	9.9
187.14861	4.8
189.16377	2.8
190.08597	1.7
193.10146	2.2
195.11688	6.5
197.13234	8.7
199.14792	6.8
201.16399	2.6
205.10059	1.3
207.11641	2.9
209.13269	5.0
211.14899	5.6
213.16415	4.2
215.17749	1.2
219.11681	1.6
221.13252	2.2
223.14801	4.6
225.16411	5.4
227.18091	1.8
231.20882	1.1
235.14743	2.2
237.16371	3.5
239.17938	3.4
241.19537	3.1
249.16400	1.3
251.17929	2.1
255.21210	1.0
257.19022	5.0
259.20618	5.8
261.22064	1.0
263.17853	1.1
267.21280	1.0
275.20172	1.2
277.19379	1.2
279.21143	1.1
283.20551	1.9
297.22025	1.2
299.19922	0.8
309.21933	1.7
311.20160	1.2
311.23441	1.2
313.21878	1.1
315.23196	1.7
323.23502	1.5
325.21231	0.9
325.25092	1.5
331.22778	1.2
333.24408	4.9
335.25751	3.4
337.25272	1.5
349.25046	1.1
351.26648	2.6
353.28284	1.3
363.26984	1.3
365.28409	1.2
377.28568	0.9
379.25998	1.0
399.28458	1.0
403.30142	1.3
405.31668	0.9
407.28827	1.0
409.31198	1.3
417.31525	1.1
429.31610	1.0
433.30142	1.1
447.32254	2.2
459.31143	0.9
461.33597	1.3
473.32544	1.1
487.33890	1.5
501.35516	2.2
513.35663	1.2
515.37518	1.2
517.40497	10.6
521.36450	1.5
527.37256	2.3
529.39246	1.0
535.41779	5.2
539.37311	1.8
553.38831	1.7
555.41174	1.6
569.23511	0.9
573.42920	1.2
590.21039	0.9
591.43982	9.2
609.45123	100.0
610.45343	3.1
675.46863	0.9
735.48743	1.2
753.48584	1.5
771.50922	4.1
785.54254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41389	2.1
61.02901	2.3
65.03945	4.8
67.05510	100.0
69.03442	6.0
69.07070	29.8
71.05000	3.7
71.08634	2.5
71.59141	4.0
72.48542	2.6
79.05498	76.6
81.03428	7.2
81.07065	88.2
83.04979	7.2
83.08620	15.2
85.02908	6.4
85.06541	4.7
91.04972	3.9
91.05489	53.4
93.07047	75.5
95.04975	9.1
95.08618	64.7
97.02883	6.2
97.06524	10.6
97.10168	18.3
98.70595	2.8
99.08116	2.8
101.18579	2.2
105.07035	51.5
106.07393	2.6
107.04960	5.4
107.08593	49.9
109.06528	7.6
109.10165	31.4
111.08060	4.7
115.05481	2.4
117.07014	22.0
119.08582	44.3
120.86189	2.4
121.06494	4.0
121.10146	28.7
123.08036	4.5
123.11724	5.3
125.09637	14.2
129.07018	11.2
131.08578	23.1
133.10141	33.3
135.08078	5.9
135.11693	16.6
137.09631	4.4
142.07848	2.3
143.08569	9.2
145.10135	27.0
147.11710	24.4
149.09596	9.3
149.13275	6.4
157.10106	7.4
159.11707	20.5
161.13292	9.4
163.11162	5.6
169.10155	5.6
171.11702	6.7
173.11818	2.6
173.13275	7.8
175.14873	3.4
177.12779	2.7
179.14246	2.6
183.11697	4.2
184.75572	2.4
185.13187	5.2
187.14801	3.5
189.11192	9.3
197.13303	4.4
199.14767	3.8
214.24472	2.2
219.17401	3.7
226.47615	2.2
227.12778	13.6
229.14355	6.8
239.18007	5.4
257.18973	13.4
259.20612	4.6
261.22058	12.9
264.92798	2.5
267.15790	4.4
275.20056	51.4
293.21402	3.5
317.24493	3.9
331.22791	3.9
333.24307	3.4
335.25833	99.1
349.23822	46.7
489.35895	10.3
505.34879	6.2
515.36987	6.2
529.38678	7.2
546.13690	3.3
569.41901	5.9
609.45154	69.1
627.46027	9.8
730.46899	2.9
824.54791	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62404	0.4
61.02935	6.8
65.03910	0.7
67.05508	6.7
69.03445	3.8
69.07076	3.7
69.69507	2.7
69.88602	0.5
70.30495	0.4
71.01349	0.9
71.05010	0.7
73.02923	4.3
75.11257	0.4
79.05498	4.4
81.03424	2.0
81.07060	6.7
83.04996	0.7
83.08649	0.6
85.02917	6.3
86.09689	0.5
91.03976	3.5
91.05465	2.6
93.07049	3.9
95.04977	0.7
95.08617	4.7
97.02898	6.3
97.06561	0.5
97.10181	1.3
99.04462	1.3
101.02394	1.8
103.03949	0.7
105.07037	2.1
107.08591	2.6
109.02907	1.0
109.06516	0.5
109.10162	2.0
117.07032	0.5
119.08578	1.5
121.10159	2.2
123.11728	0.8
125.09688	0.8
127.03949	1.6
131.08635	1.1
133.10175	1.2
135.11707	0.9
145.10228	0.6
149.13309	0.7
184.07445	0.6
185.04326	0.7
190.08679	0.9
191.09016	0.7
223.13339	0.7
243.08420	3.0
261.22226	0.4
291.19672	1.1
305.97769	0.5
331.18900	3.0
335.26007	0.8
503.02286	0.4
511.41971	0.4
519.29248	8.8
549.26691	2.8
591.29468	0.5
696.24512	0.5
827.49188	100.0
828.49341	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	828.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48772	1.4
65.03923	2.9
67.05507	31.5
69.03430	14.0
69.07076	8.4
69.73948	7.4
71.04998	3.2
77.03905	1.4
79.05058	2.1
79.05499	27.4
80.05016	2.1
81.03424	37.3
81.07061	29.0
83.04982	4.0
83.08626	3.8
84.04511	1.3
85.02900	8.3
91.05477	20.7
93.07058	29.2
95.04965	5.6
95.08617	23.1
97.02903	14.4
97.06547	2.5
97.10144	1.6
99.04454	3.5
101.81334	1.3
103.05448	4.3
105.07032	15.6
107.04980	10.5
107.08597	15.5
108.04488	22.5
108.05167	2.4
109.02863	9.0
109.06501	4.0
109.10175	12.1
110.06035	1.4
111.04466	2.6
115.05448	8.5
116.06219	1.7
117.07024	20.7
119.08587	11.4
120.65939	1.2
121.06519	3.1
121.10154	13.0
122.03645	3.4
123.04412	2.6
123.11713	3.3
124.05210	1.4
125.06019	1.6
126.05524	5.6
127.03900	5.4
128.06242	3.8
128.46416	1.1
129.05493	1.4
129.07014	12.7
131.04927	3.7
131.08571	16.2
133.06483	2.4
133.10135	11.0
135.08115	1.3
135.11697	8.8
137.05986	83.1
139.60555	1.2
141.06973	2.9
143.04951	7.5
143.08568	4.9
144.05684	3.9
145.06482	30.7
145.10078	11.0
147.08075	3.3
147.11664	7.2
149.09622	2.1
149.13292	4.4
151.03925	1.5
151.07552	2.3
155.06090	4.2
155.08575	2.3
156.05707	4.6
157.06528	7.4
157.10101	2.3
159.08084	6.2
159.11702	8.0
160.05199	12.7
161.05966	4.2
161.13260	3.8
163.14847	2.5
167.07060	35.3
167.08405	1.7
169.10080	1.8
171.11717	4.0
172.05222	4.6
173.05997	42.5
173.13278	6.3
174.06786	3.0
175.07561	100.0
175.14818	2.1
176.07747	1.4
177.05408	2.5
177.09131	1.6
181.10126	1.8
183.11696	2.2
184.05045	1.9
185.13290	3.6
187.07549	43.4
187.14888	2.6
189.09100	6.6
190.06276	19.3
191.06967	2.0
195.11720	1.6
197.13229	1.4
201.09146	2.3
202.06227	1.8
203.07002	5.2
205.08609	97.3
209.13396	1.4
213.12846	1.4
217.06528	2.7
217.08617	44.3
218.07210	1.5
219.08147	2.1
219.10175	5.7
233.09647	2.9
235.09677	53.7
241.08574	3.6
247.09695	7.6
249.09114	3.6
259.20615	2.4
261.09015	6.9
261.22278	9.0
263.07150	1.7
265.10721	43.7
269.08072	2.1
273.22156	1.4
277.08649	3.1
277.14548	1.8
277.21649	4.1
278.09409	2.7
281.11679	2.2
285.07520	3.8
289.21524	2.3
293.11588	3.4
294.08850	1.4
300.09882	9.3
301.10760	6.1
303.23224	3.9
307.09656	1.4
309.11163	6.0
315.23383	1.7
321.11343	6.3
326.11594	1.4
327.23480	2.0
331.22726	1.5
338.11694	2.4
339.12277	1.5
341.13748	8.8
341.24634	1.6
351.23343	2.9
353.13861	19.8
369.24188	8.9
371.14902	38.3
386.27081	2.4
387.14651	2.6
387.25363	9.5
404.28223	2.1
405.26297	6.7
422.28799	5.7
423.27722	1.9
460.83759	1.3
712.66681	1.3
796.29498	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36106	0.3
59.95205	0.2
60.42099	0.2
61.26755	0.3
65.03936	0.3
69.35931	0.7
69.36341	1.9
69.76803	0.3
70.06600	0.6
71.04985	0.5
77.03929	0.6
81.03400	0.4
84.08148	5.5
85.02916	0.8
85.08496	0.6
86.09702	0.3
89.03867	0.3
90.72244	0.3
91.05482	9.7
93.07048	10.0
95.04973	2.1
97.02920	0.3
103.05477	7.6
105.04534	0.8
112.11255	8.7
113.11587	1.4
115.05462	1.7
116.05020	0.3
117.05766	0.6
117.07016	1.5
118.06549	25.4
121.06509	100.0
122.06856	1.1
130.06584	0.4
132.08127	0.5
135.04401	0.3
142.06541	2.1
143.07329	2.4
144.04475	1.0
144.08101	8.7
146.06015	41.2
160.07635	0.4
162.05466	0.3
163.03943	2.0
170.06010	3.0
176.07112	0.8
176.15892	0.3
178.08624	5.4
188.07077	18.4
189.12796	0.3
190.05003	0.5
194.08258	0.4
204.06586	2.0
220.06099	0.3
222.07611	9.6
223.07829	0.3
234.07686	0.5
236.09209	1.1
252.37227	0.3
257.11365	0.4
271.09186	0.3
275.17551	1.0
276.17883	0.5
280.08228	1.6
286.07339	0.4
303.30481	0.3
310.17746	0.3
316.24860	0.3
325.29483	0.3
342.13498	1.4
348.89752	0.3
357.30988	0.3
360.10638	1.9
409.14044	2.4
417.15295	0.8
418.15643	0.5
419.16721	3.3
433.14661	1.1
435.16122	0.3
504.18872	1.4
505.21729	0.4
529.20227	1.4
529.26678	0.3
642.25421	9.6
667.26727	0.8
684.19232	0.4
691.25061	0.8
829.31500	23.8
830.32037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.8
67.05509	4.6
69.03433	2.7
69.07076	1.9
71.10026	1.1
73.02926	3.4
76.06225	0.5
79.05499	6.1
81.03423	1.7
81.07070	4.9
85.02915	4.7
91.03963	3.1
91.05493	4.2
93.07062	7.0
95.04995	1.0
95.08610	3.6
97.02911	4.4
99.04459	1.1
101.02401	1.7
105.07037	5.0
107.08621	3.3
109.10187	1.2
117.07044	1.3
119.08598	3.6
121.10196	2.3
127.03913	1.7
131.08606	1.7
133.10126	2.7
135.11734	1.9
143.08621	1.3
145.10063	1.1
147.11736	1.6
154.22189	0.5
159.11740	1.2
161.13309	1.0
171.11723	0.6
183.78273	0.5
185.04240	0.8
198.24554	0.5
199.14827	0.5
199.74089	0.5
243.08383	4.0
259.20734	1.1
301.09177	2.4
315.10526	1.3
317.20941	1.3
373.11472	1.1
373.23654	0.8
379.14835	0.6
397.18570	0.7
415.24667	0.6
465.21344	2.0
495.22568	0.9
525.23230	2.5
535.28888	17.0
607.30878	2.0
675.85144	0.6
677.39069	0.6
689.69037	0.6
829.50830	100.0
830.51416	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	829.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57925	0.3
61.02931	5.3
61.64545	0.2
65.03941	0.4
67.05167	0.5
67.05506	5.4
69.03432	4.0
69.07066	1.9
71.04987	0.4
71.57661	0.3
73.02916	4.1
73.73080	0.3
75.04482	0.3
79.05490	4.0
81.03425	1.6
81.07059	6.1
83.05003	0.5
83.08627	0.5
85.02910	5.2
87.04469	0.4
91.03965	3.2
91.05482	3.1
93.07049	4.3
95.05003	0.5
95.08611	4.0
97.02892	4.8
97.06558	0.3
97.10196	0.3
98.17216	0.3
99.04453	0.8
101.02382	1.4
103.03999	0.6
105.07037	1.9
107.08588	2.4
109.02888	0.6
109.10182	1.4
111.04467	0.3
111.08063	0.3
115.03979	0.5
117.07017	0.5
119.08620	1.4
121.10136	1.8
123.08134	0.3
123.11684	0.3
127.03877	1.4
128.37122	0.3
131.08595	1.1
133.10161	0.8
135.11720	0.9
137.06007	1.0
145.10136	0.5
147.11665	0.6
149.13284	0.4
161.13336	0.3
167.82680	0.3
177.11877	0.3
185.04297	0.9
203.05302	0.3
243.08415	2.6
259.08316	0.3
261.85687	0.3
292.56824	0.3
300.77411	0.3
333.20364	2.3
335.25946	0.7
363.25815	0.3
389.23093	0.3
453.21188	0.3
519.29242	7.2
551.28253	3.5
591.31268	0.5
654.19226	0.3
829.50726	100.0
830.50751	3.9
854.35345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95498	0.5
61.02937	4.8
67.05508	5.2
69.03444	3.7
69.07072	1.8
69.52664	1.0
69.53070	2.6
71.01382	0.6
71.04991	0.7
73.02920	3.7
79.05503	5.1
81.03430	1.4
81.07067	4.5
83.04991	0.5
85.02911	4.7
91.03969	3.3
91.05492	2.9
93.07082	3.6
95.08623	4.7
97.02892	4.0
99.04508	0.9
100.99703	0.5
101.02402	1.8
105.07054	1.8
107.08621	1.5
107.52750	0.4
109.02893	1.0
109.10195	2.0
111.73589	0.5
117.07071	0.6
119.08607	2.1
121.10172	1.6
123.49390	0.6
127.03927	1.3
131.08577	0.8
134.06461	0.6
135.11728	0.7
145.10144	0.7
153.17790	0.5
159.11678	0.8
203.05371	1.0
227.32484	0.5
243.08533	2.2
333.20236	3.2
335.25961	0.7
402.39346	0.5
453.20941	0.7
519.29413	6.8
551.28271	4.1
629.27271	0.6
635.12897	0.6
680.37671	0.7
829.50787	100.0
830.50507	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	830.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02371	0.2
69.03433	1.8
69.31573	0.7
69.32001	1.2
71.01366	0.4
71.04997	4.7
79.05502	1.2
80.35176	0.2
81.03414	0.9
83.04980	0.3
84.08146	1.4
85.02905	6.1
85.08479	0.2
87.04477	0.3
89.03909	2.9
91.05490	0.8
93.07043	0.3
95.04951	0.2
97.02279	0.4
97.02896	6.2
99.04490	0.3
107.04278	0.3
107.04958	3.8
109.02866	0.4
109.06520	0.3
112.11249	2.8
113.11575	0.9
117.03391	4.2
119.04960	0.5
121.06517	1.1
127.03912	0.6
129.05478	0.9
133.02863	0.4
135.04424	9.0
136.05127	0.2
137.05981	0.4
139.03947	0.3
145.01735	0.4
145.02856	6.4
150.01906	0.4
152.03438	0.3
162.05557	0.2
163.03908	57.2
164.04309	0.5
165.04085	0.2
181.04990	1.6
186.05406	0.2
212.07080	0.3
219.06897	0.2
225.07947	0.2
226.08563	0.2
228.06512	0.3
240.06639	0.3
254.08138	0.8
256.05963	1.2
256.09641	0.5
257.06879	0.3
258.07645	0.8
268.06061	0.4
269.06769	0.4
270.07602	1.1
271.08438	0.8
272.05551	1.2
272.09195	0.6
275.17587	0.7
276.17838	0.6
276.34888	0.2
279.11746	0.2
284.05493	0.8
284.08908	0.4
285.06317	0.2
286.07104	19.4
287.07718	0.9
288.05069	0.2
298.07101	0.3
299.07925	2.7
300.08582	1.7
302.06613	0.6
307.08173	0.7
314.06747	0.4
314.10199	4.7
317.08942	19.7
318.09390	0.2
325.09171	7.9
328.08130	6.2
330.10001	0.2
332.11313	2.4
342.09729	0.5
345.08481	3.6
360.10779	100.0
361.11127	1.4
402.11594	0.3
518.28583	0.2
522.16003	2.2
684.19189	16.3
685.19788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.7
65.98212	0.3
66.04717	0.4
67.05496	0.5
69.03429	1.6
71.01370	0.3
71.04977	0.8
71.55965	0.2
77.03919	0.5
79.05495	2.1
81.03416	0.7
81.07060	0.7
83.04980	6.0
85.02904	1.1
89.03904	2.1
91.05482	4.6
95.04987	1.8
97.02911	1.5
99.04415	0.4
105.03384	0.9
105.04498	0.6
107.04955	1.5
109.06512	1.9
110.79443	0.3
111.04457	2.1
117.03395	2.7
119.04939	2.2
119.37419	0.3
121.06507	1.0
122.03644	0.8
123.04415	1.4
127.03929	0.6
129.05487	0.5
129.06999	0.5
133.02863	1.5
135.04430	8.2
137.05000	0.6
137.05991	8.1
141.06992	0.6
145.02850	4.8
145.06464	0.4
147.04396	1.2
149.05904	0.5
151.03908	6.7
151.07513	0.3
161.05983	0.8
163.03914	48.0
164.07111	1.6
165.05482	100.0
166.05914	1.0
167.07074	1.4
169.06506	0.6
173.05968	0.4
175.03937	1.1
177.05458	0.6
179.07028	0.9
181.04932	1.0
181.08734	0.3
183.06602	1.1
185.11726	0.3
191.07039	0.6
193.04929	1.7
197.44437	0.4
199.07520	0.4
201.09192	0.3
203.03464	0.3
203.07051	0.4
205.05051	0.4
207.06487	1.2
213.39380	0.3
215.07097	0.6
221.08115	0.7
223.07640	0.5
225.05484	0.7
225.07552	0.8
233.08038	0.6
243.06476	1.1
245.08167	0.7
247.09618	0.8
257.08121	2.2
261.07617	1.5
263.09259	0.4
267.06494	0.5
269.07956	0.7
275.09183	5.0
279.08591	1.5
285.07455	0.4
287.09198	0.6
291.08490	0.4
291.12274	0.6
307.08167	0.8
317.10193	1.6
319.11743	0.5
325.09140	3.5
335.11212	0.4
353.12308	2.6
427.18912	0.3
461.14688	0.7
531.14703	0.7
601.71722	0.4
633.78735	0.4
740.86060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.271
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.3
65.03937	0.5
69.03444	1.8
71.01351	0.3
71.04963	0.3
71.16423	0.5
71.16786	0.3
71.30936	0.3
77.03938	0.4
77.95430	0.3
79.05500	2.1
81.03419	1.1
81.07056	1.0
83.04985	5.9
85.02911	0.7
89.03915	2.2
91.05487	4.2
93.07042	0.4
94.04176	0.9
95.04986	1.9
97.02885	1.7
99.04463	0.5
105.03406	0.9
105.04495	0.5
105.07063	0.3
107.04945	1.1
109.06522	2.0
111.04459	2.7
111.10105	0.3
114.35835	0.3
117.03380	2.8
119.04947	2.0
121.02880	0.3
121.06511	0.7
122.03645	0.6
123.04435	1.8
127.03913	0.6
129.05513	0.5
133.02867	1.8
133.06517	0.3
135.04433	7.3
137.05991	9.1
139.03918	0.4
145.02834	4.5
147.04369	1.4
149.05988	0.4
151.03908	6.4
153.05507	0.3
157.06496	0.3
161.05988	0.9
163.03920	46.9
164.04279	0.6
164.07088	1.6
165.05486	100.0
166.05849	0.9
167.07057	1.9
173.06071	0.3
175.03886	1.1
177.05499	0.4
179.07045	0.6
181.04967	0.8
183.06638	1.4
185.05984	0.3
189.05443	0.7
193.05006	2.0
197.06055	0.5
203.03424	0.3
203.07089	0.5
203.13559	0.3
205.05049	0.4
207.06573	1.5
212.69257	0.3
215.07124	0.4
219.06456	0.4
223.05951	0.3
225.05507	0.8
225.07622	1.0
229.08530	0.5
231.06468	0.4
233.08167	0.6
243.06537	1.3
245.08046	0.8
247.09750	0.8
257.08105	2.6
259.09723	0.5
261.07663	1.2
263.09192	0.5
267.06564	0.4
269.07990	0.3
275.09183	6.6
279.08707	1.8
285.07645	0.4
287.09259	0.5
291.08331	0.4
291.12091	0.5
303.08600	0.4
307.08154	1.0
317.10202	2.1
319.11685	0.7
321.09613	0.3
325.09180	3.5
335.11157	0.5
353.12338	3.1
387.10599	0.4
395.32428	0.3
461.14331	1.3
531.14935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.7
67.05505	3.3
69.07058	0.8
69.29205	1.4
69.29639	1.4
75.37539	0.4
77.03913	0.7
79.05505	2.6
81.03409	0.6
81.07061	3.1
83.08565	0.3
91.05484	12.4
92.04996	0.6
93.07053	14.7
95.04985	3.5
95.08612	2.0
98.97860	0.4
98.98474	6.2
103.05476	12.5
105.04478	1.6
105.07036	0.6
107.08589	1.5
109.10120	0.7
109.97161	0.3
115.05459	2.7
116.05024	0.5
117.05788	2.0
117.07018	1.5
118.06549	5.0
119.08559	0.6
120.04448	0.7
121.06512	64.9
122.06797	0.4
125.00008	23.3
128.06155	0.3
129.05728	0.4
131.05975	0.4
133.10104	0.5
134.09688	0.6
135.11697	0.6
136.07602	0.6
142.06535	1.4
143.07362	1.7
144.04463	3.4
144.08087	7.0
145.10138	0.3
146.06018	16.3
148.03932	0.6
160.07585	0.5
162.05499	2.8
162.09152	1.3
163.01530	0.6
164.07088	0.7
166.02632	0.4
170.04608	0.7
170.06018	11.2
172.03964	1.7
172.07584	22.7
173.07985	0.4
176.07086	4.4
178.08641	32.2
183.02101	1.0
184.07352	0.9
188.07077	12.6
190.04959	2.0
190.08636	4.5
194.08145	0.5
198.05489	5.5
198.07219	0.5
201.03111	5.0
202.08638	26.3
204.06558	4.3
204.10210	90.2
205.10600	1.1
206.08139	5.5
210.11244	0.4
216.06563	9.3
220.09700	15.6
222.07896	8.4
222.11252	47.1
223.11678	0.5
224.09290	0.3
227.04671	0.9
230.08134	19.8
234.07611	3.7
236.12819	4.3
238.10719	0.4
240.04192	0.4
248.09195	62.1
249.09680	0.7
254.13898	3.8
262.10751	3.7
266.10242	65.3
267.10580	0.6
270.05267	1.1
280.11841	4.7
286.04791	1.4
298.12729	1.5
300.06378	2.8
302.04547	0.4
302.07883	12.9
314.04263	3.2
324.15906	0.5
328.05832	6.7
332.05368	0.6
334.10516	1.1
335.25861	0.5
346.06888	52.7
347.07251	0.7
360.08450	1.7
363.09171	0.4
368.14929	1.5
374.16022	1.2
378.09583	1.2
386.16159	2.5
400.17569	9.1
418.18625	100.0
419.18695	1.5
448.11288	0.7
466.12460	3.1
480.14462	0.8
498.15268	81.9
499.15698	1.4
572.18616	1.2
662.30792	0.8
680.31805	3.2
800.37817	1.2
814.39233	9.7
832.40289	50.8
833.40668	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49885	2.1
67.05502	15.9
69.07061	5.0
70.75333	6.4
71.07352	6.2
76.41541	2.2
79.05483	7.9
81.07060	19.6
86.09216	2.7
86.09705	31.1
91.04007	2.4
91.05444	3.3
93.07066	11.3
95.08629	11.5
97.06520	2.3
104.10106	3.7
104.10745	26.9
105.07035	3.0
107.08591	4.9
109.10152	4.7
119.29718	2.0
121.10133	4.3
146.98187	48.5
163.35254	2.2
184.07329	5.6
213.00537	2.6
237.07603	2.3
333.19119	4.3
335.25830	13.2
439.17044	2.5
458.98630	2.8
481.23306	37.6
540.30627	100.0
541.31122	4.3
654.14728	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02376	1.1
65.03947	3.8
65.23385	0.6
67.05506	3.0
69.03407	0.9
69.07059	2.2
70.06593	0.9
71.59434	1.0
71.98055	0.6
77.03892	0.7
79.05498	5.9
81.07062	68.8
85.02901	1.4
86.09718	0.7
89.03925	4.7
91.05485	7.1
93.03416	4.6
93.07040	2.0
94.04139	1.0
95.04975	1.7
95.08604	8.6
96.21201	0.6
97.02900	60.7
97.99224	0.5
98.78934	0.6
103.05477	3.5
105.03407	1.3
105.07027	2.6
107.04961	1.4
107.08590	0.6
109.06531	1.3
109.10154	1.3
111.04437	0.6
115.05442	1.9
117.03380	16.9
117.07011	0.9
119.04947	8.2
120.08062	0.5
121.02869	2.1
121.06508	7.8
122.03674	1.1
123.04459	1.6
124.05185	1.1
125.02362	0.6
128.06238	1.2
129.07013	4.0
130.04103	1.0
131.04941	3.3
133.02866	13.5
133.06471	2.3
134.03677	1.2
135.04422	1.8
137.05988	29.0
137.13263	11.8
139.03844	0.7
141.07011	2.3
143.04942	0.8
144.05701	0.7
145.02855	51.9
145.06493	2.6
147.04414	9.8
149.02353	5.7
149.05989	11.9
150.06734	2.2
151.03914	2.6
151.07530	3.2
157.06517	4.9
158.03622	0.7
159.08051	1.1
159.11687	0.9
160.05183	1.1
161.05986	7.0
162.03166	0.9
162.06747	5.7
163.03920	2.1
163.07558	4.0
165.05518	3.1
165.06812	0.7
167.03418	38.2
167.04729	1.4
167.07173	1.2
167.08427	0.9
168.05667	0.8
169.06544	3.2
171.08012	0.9
173.05983	4.6
174.06856	0.8
175.03909	7.7
175.07530	4.0
177.05481	100.0
178.05853	1.2
179.07079	8.2
180.07896	0.9
181.04933	1.1
181.06427	0.8
184.05182	0.7
185.06033	3.5
186.05545	1.7
187.07565	3.6
188.08275	0.7
189.05493	1.7
189.09116	6.6
191.07054	1.8
193.04985	1.7
195.06517	1.1
196.05138	0.8
197.05977	1.4
199.07506	4.9
200.04755	0.8
201.05472	17.8
201.09117	2.0
203.07028	1.7
204.04204	2.2
205.06551	1.0
207.04726	0.8
207.06421	2.8
211.07570	1.4
212.04434	0.7
213.05475	3.8
213.08937	0.6
214.06064	0.6
215.07051	2.3
217.08606	8.0
219.06512	7.6
221.06139	0.9
221.08109	8.0
227.07002	5.7
229.08614	2.5
231.06549	5.3
233.05963	1.8
233.08119	2.0
239.07130	1.1
243.06523	1.4
245.08112	16.7
246.08940	1.4
249.07684	1.9
251.06892	0.9
255.06325	0.7
257.08087	5.1
258.08945	2.4
261.05392	1.3
265.08691	1.7
269.08105	1.0
272.10559	0.7
273.07666	1.1
275.09122	3.7
277.08551	1.4
283.09808	0.7
285.18503	0.7
287.05594	1.6
288.05914	1.3
289.07065	1.9
290.05655	0.8
291.05615	0.6
291.08627	17.6
292.07257	0.9
293.08035	1.2
294.08691	0.7
297.07678	3.5
305.08148	1.8
307.09521	1.5
309.09824	2.4
315.08600	3.7
323.09140	1.5
325.10715	17.9
337.10706	6.3
341.10300	1.3
355.11777	14.6
362.86362	0.6
373.12793	7.0
393.13269	0.8
395.14783	0.9
403.11887	1.1
421.12912	5.7
423.14597	1.5
433.12915	0.9
439.13898	7.5
451.13684	3.0
457.14902	4.4
469.15106	2.8
487.16367	1.0
505.16946	2.4
838.46381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.6
67.05169	3.5
67.05511	53.4
69.03442	11.2
69.07069	30.4
71.04983	3.8
71.56716	2.2
79.05495	52.8
81.03406	6.1
81.07060	48.9
83.04971	5.3
83.08614	15.3
84.83765	1.7
85.06522	1.9
86.09666	2.1
87.04463	7.0
91.05483	49.5
93.07044	53.5
95.04979	9.9
95.08611	26.9
97.02891	8.2
97.06533	4.4
97.10174	18.7
99.08094	3.0
103.05457	2.6
105.07030	51.4
107.04961	8.4
107.08603	29.0
109.06524	5.9
109.10163	14.8
111.08058	3.5
117.07027	19.7
119.04961	2.2
119.08583	46.8
121.06514	4.8
121.10158	16.4
123.08081	3.9
125.09622	15.1
128.06224	4.5
129.07013	10.3
131.08580	28.7
133.06502	4.8
133.10143	32.4
135.08078	4.3
135.11714	11.7
137.09644	6.7
141.07039	3.7
142.07742	2.6
143.08588	11.7
145.06442	2.8
145.10132	17.5
147.08040	5.8
147.11691	26.4
149.09625	4.9
149.13246	9.5
155.08565	4.5
157.10138	12.9
159.11687	15.7
161.09645	3.8
161.13251	13.3
163.11166	2.8
169.10143	5.5
171.11627	14.3
173.13268	8.9
175.14813	9.8
177.12819	2.8
183.11674	4.8
184.07404	4.9
185.13261	6.8
187.13040	1.7
187.14830	3.2
189.11275	5.8
195.11604	2.0
197.13278	4.9
199.14844	3.8
211.14966	2.7
213.16428	2.3
223.13281	19.2
227.12845	14.3
231.21091	2.9
238.43233	1.7
239.18004	2.7
241.19507	20.4
245.18950	2.6
245.48332	1.7
257.18967	2.7
259.20587	38.1
273.18665	9.4
275.20044	5.4
291.19547	100.0
299.23926	2.7
315.23227	6.7
333.24258	45.0
335.25858	2.0
349.23831	2.1
365.23224	34.8
379.29984	4.4
525.35577	8.1
531.37976	4.8
541.90314	2.2
543.36963	12.1
605.41730	7.1
623.33313	3.5
623.43091	55.2
641.44281	9.7
785.48608	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01865	0.4
67.05497	0.4
68.99811	0.4
69.03420	0.3
69.07087	0.1
71.04996	2.8
71.59198	0.1
71.59577	0.1
73.02921	0.1
73.15265	0.1
75.04480	0.2
79.05486	0.3
81.03407	0.3
81.07056	0.5
83.04967	0.4
83.08620	0.2
85.02912	3.8
87.04420	0.1
91.05476	0.4
93.07040	0.5
95.08601	0.4
97.02878	0.2
105.07022	0.1
107.08598	0.2
109.02836	0.1
109.10155	0.2
111.00758	0.1
111.04465	0.3
117.06999	0.1
119.04941	1.3
119.08555	0.3
119.10380	0.1
121.02880	0.5
121.10168	0.3
123.11688	0.1
127.03912	0.5
129.01930	0.1
129.05496	1.2
131.08609	0.1
131.45805	0.1
135.11702	0.2
143.08640	0.1
145.02834	0.7
145.10129	0.2
147.06573	0.2
147.11696	0.2
153.01843	3.5
159.11749	0.2
161.13271	0.1
163.03917	0.4
167.06993	0.2
171.02914	0.6
173.13319	0.2
201.79333	0.1
203.07066	0.2
225.05536	0.3
229.05014	0.3
243.06468	0.2
243.20955	0.1
247.06023	0.1
261.22202	0.4
271.06024	100.0
272.06384	1.3
300.44550	0.1
311.67310	0.1
313.06989	0.3
315.23022	0.1
337.06760	0.1
337.53488	0.1
369.24292	0.1
387.20743	0.1
387.25134	0.1
613.48468	0.2
657.29999	0.1
675.32471	0.1
693.32483	0.5
839.38336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.0
65.03935	7.4
67.05512	98.7
69.03443	20.1
69.07073	61.2
69.79092	9.8
71.01368	2.3
71.05003	21.9
71.07430	1.7
73.02921	6.3
74.58325	1.8
79.05500	85.1
81.03430	20.6
81.07065	89.0
83.04998	13.0
83.08639	14.2
85.02901	11.4
85.06545	6.3
86.09749	1.9
91.03944	3.8
91.05492	59.1
93.07054	77.9
95.04982	16.7
95.08618	66.6
97.02908	11.6
97.05905	3.9
97.06543	81.0
97.10168	5.6
99.04475	3.0
99.08091	6.8
103.05427	2.8
105.04533	4.5
105.06382	3.1
105.07041	40.2
107.04966	11.6
107.08604	43.1
109.02876	4.9
109.06528	20.4
109.10160	23.1
111.04482	2.2
111.08091	7.2
113.06013	2.6
115.05452	2.8
115.07585	29.8
117.07023	24.7
119.08594	32.3
120.96409	1.6
121.06558	9.3
121.10151	28.8
123.08076	8.1
123.11748	8.7
125.09659	4.5
127.03919	5.0
127.07491	2.5
128.06281	3.1
129.05499	2.8
129.07019	10.6
131.08568	27.5
133.06532	4.5
133.10144	27.8
135.08066	11.2
135.11702	16.5
137.09648	5.6
139.11180	2.3
141.07016	3.6
143.08585	8.3
145.06467	2.2
145.10143	18.3
147.08055	8.0
147.11691	15.0
149.09636	6.5
149.13300	13.6
151.11226	2.8
155.08569	3.2
157.10153	7.8
159.08154	3.2
159.11713	15.2
161.09613	8.5
161.13293	4.9
163.11214	2.6
163.14822	4.5
169.10072	2.9
171.11723	7.5
173.04489	5.9
173.09552	2.8
173.13304	8.0
175.11211	3.2
175.14854	3.2
177.12816	4.7
181.10234	2.3
183.11812	1.9
184.07347	6.9
185.13350	3.7
187.14816	3.5
190.08662	7.3
193.12247	2.0
195.11842	2.2
195.13808	4.9
199.14827	4.4
201.07591	4.9
201.12814	2.6
203.14288	2.5
209.90468	1.8
217.15883	9.3
221.15302	2.5
223.13226	2.1
233.15387	3.9
243.21173	3.3
245.19090	5.5
253.14438	4.3
255.17577	3.7
259.20731	2.5
261.22134	12.5
267.16028	3.9
269.17648	10.3
271.17072	2.1
273.18539	33.9
291.19583	16.1
307.19086	5.2
335.25827	100.0
347.22153	12.3
365.23413	12.9
383.23843	2.5
453.62265	1.9
471.25662	2.0
515.37988	4.1
529.38959	29.3
557.38245	2.9
607.44012	12.0
625.44800	23.7
643.45715	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	840.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	3.2
65.03944	6.2
67.05505	100.0
69.03419	14.6
69.07069	49.0
71.05001	19.8
71.27193	3.8
73.02912	4.0
79.05058	4.9
79.05495	79.4
81.03415	29.0
81.06578	4.4
81.07060	82.8
83.04993	14.9
83.08613	14.2
85.02895	10.5
85.06555	3.2
86.09708	12.2
91.05485	53.5
93.07047	78.0
95.04965	18.2
95.08614	55.5
97.02889	9.4
97.06536	79.8
97.10126	3.6
99.04448	2.8
99.08093	5.5
103.05478	3.2
104.89719	2.8
105.07036	35.7
107.04956	9.5
107.08590	34.2
109.02881	3.7
109.06523	23.4
109.10157	23.5
111.08081	7.3
115.07580	26.8
117.07021	20.1
119.08599	31.4
121.06501	10.1
121.10139	32.3
123.08037	5.5
123.11702	6.1
125.00010	5.2
125.09643	3.6
127.03907	4.5
129.05495	3.2
129.06993	9.2
131.08566	27.1
133.06488	5.7
133.10124	30.6
135.08057	11.2
135.11729	13.2
137.09604	3.7
139.07481	2.9
143.08598	3.7
145.10114	16.5
147.08057	3.7
147.11707	11.7
149.09641	5.9
149.13252	10.7
151.11186	4.3
157.10182	9.2
159.08040	3.4
159.11717	11.5
161.09618	7.2
161.13261	7.4
163.11221	3.9
163.14793	4.6
171.11687	4.0
173.04436	5.3
173.09587	4.3
173.13228	5.1
175.11180	5.9
177.12793	3.2
184.07361	32.9
185.13339	3.3
187.14760	2.6
189.16219	2.8
190.08601	7.7
193.12198	4.7
195.13907	3.0
197.13168	2.9
199.14734	3.7
201.16176	2.7
217.15939	7.5
231.64296	2.9
233.15433	3.8
245.18915	4.6
253.14351	6.9
259.20642	2.9
261.15344	2.5
261.18225	3.0
261.22174	8.9
267.15948	11.9
269.17502	15.4
273.18478	32.8
275.20102	5.1
291.19592	17.0
299.23566	3.0
317.24643	2.8
335.25815	79.3
347.22141	11.6
365.23099	14.1
366.83664	2.7
383.24094	4.4
492.00894	2.8
527.36456	3.1
529.38934	22.9
534.54944	2.9
545.38287	4.7
557.38477	3.3
607.43176	4.4
625.44458	19.4
643.45721	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.0
65.03941	4.3
67.05505	88.9
69.03426	10.5
69.06724	3.0
69.07069	42.0
69.24995	4.0
69.25405	11.4
71.04981	5.6
79.05495	84.5
81.03426	12.6
81.07058	100.0
83.04977	15.4
83.08620	20.5
85.02911	9.2
85.03370	1.5
85.06536	7.5
86.09718	2.6
91.05483	90.8
93.07047	90.8
95.04975	12.4
95.08610	55.3
95.09058	1.0
97.02887	4.7
97.06541	12.1
97.10170	8.7
99.08091	4.4
101.70400	1.7
103.05492	2.2
105.04512	2.7
105.07033	79.2
107.04967	9.9
107.08595	51.5
109.06506	8.8
109.10154	22.4
111.08080	6.2
113.09670	1.9
115.05403	3.4
117.07024	35.7
119.08588	63.7
121.06494	6.3
121.10139	35.5
123.08070	6.3
123.11702	7.6
125.09614	6.6
127.03899	2.0
128.06221	6.0
129.05447	1.7
129.07018	20.4
130.07803	3.1
131.08578	45.2
133.06523	2.6
133.10135	51.4
135.08084	5.9
135.11699	24.9
137.09612	4.7
141.06958	5.9
142.07764	5.2
143.08554	21.7
145.06607	2.2
145.10135	34.3
147.08043	2.2
147.11699	38.1
149.09610	12.9
149.13264	14.3
151.11159	3.5
153.06969	2.1
153.12785	1.9
154.07820	3.1
155.08566	11.8
156.09383	2.8
156.28203	1.5
157.10133	18.4
159.08075	2.1
159.11687	31.9
161.09753	2.4
161.13246	22.8
163.11168	7.8
163.14853	3.1
164.07005	1.6
164.84280	1.9
165.12746	1.7
167.08585	7.8
167.92517	1.6
168.09290	2.2
169.10146	12.5
171.11713	18.9
173.04413	4.1
173.09595	2.8
173.13274	16.1
175.11211	2.8
175.14830	6.4
177.12698	2.3
179.08546	2.9
179.14339	2.2
181.10104	6.6
183.11746	12.6
184.07327	7.1
185.13246	16.7
187.11214	2.6
187.14838	6.5
189.12791	2.7
195.11703	9.6
195.13818	4.6
197.13257	8.7
199.14795	7.7
201.12825	1.8
201.16315	2.5
205.15826	2.0
206.08109	6.1
207.11742	4.3
209.13286	7.0
211.14809	5.0
213.12714	1.8
213.16434	6.1
221.13251	3.7
223.14821	6.3
225.16415	3.7
227.12723	2.6
227.18088	2.6
231.21159	2.2
233.13196	1.7
235.14854	2.8
237.16245	3.5
239.17970	4.2
241.19537	12.9
247.20680	2.6
255.15771	15.3
257.18979	6.7
259.20609	40.8
265.19360	1.7
269.17432	16.7
273.18555	3.5
275.20114	19.9
277.21652	3.4
283.16687	2.1
283.20419	2.0
289.21542	2.0
291.19656	1.9
297.22058	2.6
301.21545	2.5
313.21820	2.0
315.23236	8.8
315.26392	2.2
333.24286	47.2
335.25723	5.0
337.24820	2.0
349.23798	14.0
367.24780	5.9
406.13541	2.0
417.31393	3.0
421.31046	3.8
433.30090	3.8
435.32532	8.4
446.30679	2.1
453.33655	4.0
471.34903	3.1
483.34528	2.0
489.35596	5.0
497.36188	2.8
509.35892	3.1
513.35754	23.3
515.37463	8.0
525.35822	3.7
527.37311	52.2
528.37354	4.0
531.36530	5.1
533.40271	4.5
539.37042	2.7
545.38171	8.6
551.41077	3.2
567.40259	4.0
607.43561	32.6
625.44647	30.9
653.39893	2.0
689.42639	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	840.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33834	2.3
61.02932	4.3
64.14074	2.6
65.03938	5.5
67.05514	89.2
67.05875	4.3
69.03422	7.5
69.07075	35.0
70.88309	3.0
70.88663	4.2
71.04990	6.0
77.03938	2.5
79.05498	84.8
81.03436	14.3
81.07066	100.0
83.05004	12.0
83.08619	17.9
85.02924	4.3
85.06543	5.3
86.09708	5.0
87.04474	3.9
88.78601	2.2
91.05489	87.1
93.07057	97.3
95.04981	15.6
95.08617	58.3
97.02915	5.6
97.06544	10.7
97.10180	8.7
99.08106	3.1
103.05482	3.9
104.06261	2.4
105.07045	84.0
107.04956	7.1
107.08605	49.4
109.06528	8.0
109.10177	22.2
111.05639	2.0
111.08098	7.2
115.05403	2.9
117.07030	36.4
119.08594	66.9
121.06516	6.9
121.10150	32.6
123.08076	5.5
123.11707	7.1
125.00049	4.1
125.09639	6.7
127.03864	3.0
128.06261	5.9
129.05522	3.0
129.07019	18.4
131.08582	41.5
133.10144	47.5
135.08109	5.7
135.11693	28.5
137.09618	5.7
141.06987	8.4
141.10072	2.1
142.07837	3.1
143.08553	18.8
145.06454	3.1
145.10138	39.7
147.08034	3.6
147.11707	33.6
149.09627	6.6
149.13269	14.9
155.08572	9.1
157.10176	17.5
159.11716	29.9
161.09709	2.9
161.13293	19.1
163.11182	6.7
163.14865	5.0
165.12842	3.9
166.07872	2.4
167.08522	4.2
169.10150	10.3
171.11688	16.5
173.09641	3.1
173.13255	14.5
175.11214	3.2
175.14824	9.0
177.12798	4.7
180.06528	2.7
181.10170	5.7
183.11723	11.9
184.07361	11.6
185.13297	12.9
187.14841	5.4
190.08670	4.1
192.06625	2.8
193.10242	2.7
193.12111	2.5
195.11740	6.6
195.13721	4.4
197.13329	7.7
199.14844	8.1
201.16357	3.0
206.08154	9.3
209.13232	2.9
211.14906	2.7
213.16515	3.8
223.14969	3.1
225.16533	2.5
227.17926	2.8
227.33835	2.2
231.21194	2.7
235.14769	3.4
237.16441	3.4
241.19562	15.9
249.16479	2.3
253.14317	3.3
255.15892	14.3
257.19031	5.3
259.20612	47.2
267.15878	6.4
269.17480	22.4
275.20087	14.5
277.21698	4.6
315.23203	7.8
327.23151	2.8
333.20395	4.1
333.24289	48.0
335.25739	9.0
347.22116	3.6
349.23862	8.2
365.23093	3.0
367.24976	6.5
386.16269	3.6
406.07095	2.6
435.32547	10.0
453.33481	4.9
471.34851	3.2
489.35748	2.8
491.35837	2.5
509.36679	4.7
513.35931	19.8
515.37512	3.6
525.35840	3.2
527.37378	63.2
531.37109	4.3
545.38757	11.4
551.40576	2.8
597.16156	2.4
607.43713	21.8
625.44812	32.1
643.46283	2.8
769.48932	2.9
840.51605	2.9
841.46533	7.7
864.72614	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	842.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	3.4
60.08159	2.1
65.03938	2.8
67.05508	100.0
69.03426	3.4
69.07067	25.4
69.27392	13.9
71.04993	5.2
71.07372	2.0
73.02916	2.0
79.05496	54.2
81.03408	4.0
81.07059	84.3
83.04981	4.3
83.08627	14.0
85.02877	3.8
85.06539	3.9
86.09707	10.0
91.05479	35.5
93.00201	1.7
93.07046	59.7
95.04983	8.6
95.08611	54.5
97.02853	2.9
97.04073	1.4
97.06530	5.6
97.10173	7.9
98.57545	1.5
99.08092	3.3
105.04529	2.5
105.07034	29.3
107.04930	4.9
107.08601	39.5
109.06522	5.2
109.10156	55.6
111.08083	5.1
115.05430	1.6
117.07037	12.3
119.08582	28.3
120.69355	1.4
121.06491	4.8
121.10154	26.5
123.08045	2.9
123.11726	8.6
124.99996	8.0
125.09676	6.8
129.07028	3.2
131.08563	15.8
133.10130	21.8
135.08075	3.3
135.11690	15.6
137.09572	3.1
137.13226	2.0
139.11188	2.1
141.07059	1.7
143.08580	2.6
145.10159	14.1
147.11678	10.1
149.09627	5.0
149.13254	12.3
151.11185	2.0
155.10684	1.6
155.82297	1.5
157.10115	5.4
159.11713	9.3
161.09567	1.4
161.13275	5.8
163.11140	2.2
163.14905	2.4
165.12723	1.5
169.10126	1.6
169.56693	1.5
171.10249	1.7
171.11682	5.9
173.11717	10.4
173.13280	6.3
175.14890	2.9
177.12729	3.2
184.07358	31.8
184.08989	2.3
185.13153	2.4
187.14833	3.9
189.11189	3.0
191.14438	1.9
195.13876	2.1
206.08128	6.3
207.08418	2.1
227.12781	9.7
229.14348	41.7
243.21112	3.7
257.19061	4.6
259.20596	2.7
261.22147	13.7
269.17474	16.2
275.20047	25.1
277.21793	1.6
293.21155	3.3
293.64334	1.7
306.28247	1.5
309.20566	4.1
317.24854	1.8
331.22571	2.3
335.25824	94.9
336.26028	1.9
349.19623	2.5
349.23721	24.0
367.24762	16.1
375.69583	1.6
397.14563	1.7
471.34570	1.7
489.35696	28.8
507.36688	4.7
529.38928	39.5
533.12585	1.7
547.39948	1.9
569.42212	19.7
591.43103	2.0
609.35944	2.6
609.45117	32.6
627.46216	21.5
842.48419	4.6
843.48383	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	843.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87916	0.4
61.02882	0.4
69.03129	0.3
69.03436	4.2
71.01347	0.9
71.05000	11.0
71.16591	0.7
72.04514	0.4
73.02922	0.4
75.04459	0.4
79.05499	0.5
79.31298	0.3
81.03421	2.1
83.04973	0.8
85.01122	0.3
85.02913	15.3
86.66973	0.3
87.04458	1.0
89.03919	5.5
96.04509	2.2
97.02902	10.2
99.04447	1.6
101.02343	0.4
107.04948	1.4
109.02896	0.5
111.04440	0.4
117.03387	7.0
121.06496	0.6
127.03897	1.3
127.31039	0.4
129.05469	1.6
135.04428	13.0
145.02859	10.7
145.03987	0.7
163.03920	100.0
164.04306	0.7
181.04988	2.4
186.05574	0.4
196.07545	0.5
199.06195	0.4
212.07079	0.7
224.07007	0.5
225.06415	0.4
226.08759	0.6
227.08185	0.4
229.06122	0.6
239.05859	0.5
239.08043	0.4
241.07317	1.0
241.09659	0.6
242.08282	0.9
242.10483	0.4
244.09715	1.6
250.08713	1.6
251.08142	0.4
252.06561	0.8
252.09021	1.0
253.09763	1.3
254.08109	0.8
255.07587	2.5
256.08231	0.7
260.09177	1.4
265.06906	0.4
265.09793	0.5
266.06812	0.8
267.07443	4.0
269.09174	1.9
270.07544	0.9
271.09427	0.8
272.09192	5.7
273.09988	1.3
274.10825	2.3
277.07184	0.8
277.09790	1.7
279.08246	0.6
279.11484	0.7
280.09534	1.1
281.09296	3.3
282.10867	0.8
283.10791	0.5
284.09326	0.9
285.08765	0.5
286.10648	0.8
287.10251	3.9
288.11078	1.1
291.11331	0.6
292.09717	0.9
293.09097	0.6
294.10037	2.2
295.07965	0.4
295.10904	2.6
296.11356	0.6
297.08777	2.0
297.12262	0.6
298.10675	0.7
299.10300	2.2
300.11047	3.1
304.08307	1.1
307.08203	0.9
309.12308	0.7
310.10748	11.7
311.13864	0.6
313.11884	0.8
314.12711	1.9
319.10999	0.4
322.09634	1.2
323.10364	0.9
324.11145	0.9
325.09076	5.4
327.13486	3.3
328.11740	1.3
337.11871	5.7
338.10272	1.2
340.10605	3.5
355.12906	86.9
356.13101	1.5
373.13980	82.1
374.14310	1.2
415.14862	0.5
433.14838	4.1
517.18158	0.5
519.19781	0.6
535.19275	1.5
679.20959	1.9
681.24878	0.9
697.22443	94.6
698.23035	3.1
843.28430	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	843.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.3
65.03935	0.8
67.05505	9.9
68.05838	0.6
69.03433	2.5
69.07074	4.3
71.05027	0.6
72.45300	0.5
73.02924	2.4
79.05501	8.1
81.03424	1.8
81.07061	9.9
82.07404	0.9
83.04993	0.9
83.08619	1.6
84.60870	0.4
85.02908	4.2
85.06548	0.6
86.09722	1.2
91.03963	2.3
91.05491	6.2
92.05846	0.7
93.07056	7.9
94.07420	0.7
95.04983	1.1
95.08619	5.3
96.08961	1.0
97.02896	4.1
97.06567	1.2
97.10187	1.6
99.04407	0.6
101.02396	1.8
105.07052	4.2
106.73287	0.4
107.04953	0.6
107.08594	5.0
109.02843	0.4
109.06592	0.7
109.10151	3.8
110.10475	0.6
111.08094	0.8
111.48844	0.4
117.07061	1.8
119.08588	3.7
121.06575	0.8
121.10148	3.5
122.10561	0.6
123.11734	0.9
124.12132	0.5
125.09668	1.2
127.03909	0.9
129.05536	0.5
129.07098	0.5
131.08600	1.9
133.09294	0.6
133.10104	2.8
135.08089	0.5
135.11720	1.4
137.09630	0.5
143.08664	0.6
145.10168	1.8
147.11743	2.2
149.09644	0.7
149.13292	1.1
155.08609	0.4
157.10135	0.5
159.11740	1.6
161.09605	0.5
161.13254	1.0
163.11227	0.4
173.13391	0.7
184.07333	3.5
185.04266	1.0
185.07675	0.5
189.11125	0.5
203.05330	0.5
223.13428	1.0
229.14447	1.0
230.14929	0.4
241.06857	0.5
243.08372	4.1
257.19202	0.5
269.17529	0.9
275.20175	1.4
276.20538	0.7
291.19565	1.0
301.09067	1.2
315.10608	1.0
331.18793	2.4
331.67944	0.4
334.13931	0.4
335.25824	4.8
336.26163	3.1
349.23920	1.0
350.24362	0.6
367.24857	0.6
368.25098	0.8
385.18784	0.6
429.23428	0.6
465.21036	0.9
490.36176	0.9
499.86398	0.5
529.39166	2.0
530.39624	2.9
535.28815	6.1
549.26611	6.2
570.42828	0.7
610.45276	2.9
621.28918	1.4
628.46539	1.2
843.48645	100.0
844.48810	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	843.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	4.4
67.05511	3.9
67.35831	0.6
69.03431	3.6
69.07072	1.4
71.39353	1.0
72.16572	0.6
73.02934	1.8
78.90945	0.6
79.05505	4.8
81.03430	2.0
81.07062	4.2
83.08643	1.1
85.02914	5.0
85.60014	0.7
86.09687	1.0
89.40658	0.7
91.03974	2.0
91.05489	4.2
93.07024	4.5
95.04987	0.9
95.08604	4.0
97.02906	3.9
97.06569	0.8
99.04469	1.3
101.02419	1.8
105.07052	5.6
107.08598	3.4
109.10211	1.2
117.07008	1.3
119.08586	3.0
121.10194	1.3
125.00034	0.8
127.03906	1.5
129.05537	0.7
131.08600	1.5
133.06514	0.8
133.10149	2.7
135.11729	1.2
145.10109	1.7
147.11679	0.9
161.13313	1.2
175.11230	0.9
184.07425	2.3
193.12308	1.0
206.08273	0.7
243.08392	3.8
259.07971	0.6
262.21298	0.7
289.10031	0.7
301.09122	1.5
313.17725	1.4
315.10446	1.3
331.19022	2.5
353.20059	0.7
355.13760	0.7
369.15302	0.7
451.19479	1.0
465.21362	1.1
531.25806	2.4
535.28772	7.4
549.26886	2.6
551.87952	0.7
574.94385	0.6
607.30817	1.0
691.42749	0.7
745.40973	2.0
825.47455	6.2
843.48669	100.0
844.48621	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	845.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	0.7
71.57153	0.5
81.03423	0.5
81.07071	0.7
83.99561	0.4
85.02945	0.4
85.54468	0.4
86.09699	0.6
93.07059	0.6
95.08581	0.6
107.08660	0.4
119.08642	0.4
135.11790	0.5
184.07388	1.2
185.63980	0.4
204.06189	0.5
229.79031	0.5
250.52985	0.5
333.17474	0.5
410.45816	0.4
452.23251	0.5
551.26489	1.2
690.03430	0.4
845.48206	100.0
846.48456	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	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.6
65.03966	0.4
67.05505	5.0
69.03429	2.9
69.07068	2.7
69.29438	2.4
71.01363	0.5
71.05000	0.7
73.02922	3.7
79.05499	6.2
81.03426	1.5
81.07061	5.3
83.04988	0.6
83.08627	0.9
85.02908	5.5
85.03418	0.3
87.04469	0.5
91.03966	2.8
91.05478	4.6
93.07047	5.5
95.04982	1.0
95.08606	3.2
97.02898	4.5
97.06541	0.5
97.10191	0.6
99.04474	0.9
101.02386	1.8
103.03931	0.4
105.07033	4.1
107.04974	0.3
107.08588	2.9
109.02875	0.5
109.06556	0.4
109.10176	1.1
115.03960	0.3
117.06999	1.7
119.08603	3.3
121.10171	1.7
123.11689	0.3
127.03955	0.8
129.05525	0.5
129.07033	0.6
131.08601	1.6
133.10136	1.8
135.11717	1.7
143.08571	0.3
145.05048	0.2
145.10162	1.0
147.11708	1.5
149.09618	0.4
149.13310	0.7
157.10223	0.4
159.11725	0.8
161.13274	0.5
171.11757	0.5
173.13362	0.4
184.07390	0.5
185.04292	1.1
203.05316	0.3
241.06918	0.5
243.08409	4.3
259.07990	0.4
259.20593	0.5
301.08957	1.7
313.09003	0.4
315.10605	0.7
317.20898	0.5
333.20380	3.4
333.24066	0.4
341.12073	0.3
369.15182	0.3
371.16800	0.5
373.11209	0.4
373.23532	0.4
383.17059	0.3
385.18539	0.4
389.23151	0.7
397.18600	0.4
431.24377	0.3
439.19406	1.4
453.21011	1.5
465.21387	0.7
469.20691	0.6
477.24493	0.3
483.22305	0.3
535.28870	6.8
541.22717	0.4
551.28369	7.9
623.30280	1.5
637.32086	0.5
651.33386	0.4
707.40521	0.4
733.42847	0.4
775.44049	0.4
845.50220	100.0
846.50262	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	845.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.8
65.03953	0.3
67.05512	5.3
69.03442	3.1
69.07078	2.0
69.96627	1.5
71.01361	0.7
71.05006	0.9
72.93727	0.3
73.02923	4.0
76.79211	0.3
79.05511	4.2
79.08923	0.2
81.03432	1.7
81.07066	5.0
83.04995	0.6
83.08633	0.8
85.02905	4.8
86.09740	0.4
87.04492	0.5
91.03981	2.4
91.05482	2.6
93.07042	4.1
95.04982	0.8
95.08608	3.6
97.02890	4.7
97.06546	1.7
99.04456	0.6
101.02391	2.0
103.03978	0.5
105.07033	1.9
107.08596	2.0
109.02866	0.6
109.06566	0.4
109.10158	1.4
111.08119	0.3
115.03971	0.4
117.07008	0.8
119.08615	0.9
121.10140	1.7
123.11749	0.5
127.03952	1.2
131.08600	1.2
133.10147	0.9
135.11734	0.9
137.05797	0.5
145.10194	0.6
147.11729	0.7
149.13275	0.7
159.11720	0.6
183.06648	0.3
184.07361	2.2
185.04265	1.0
199.03531	0.3
203.05246	0.5
243.08429	3.0
265.02621	0.3
319.18964	0.6
335.25998	0.5
349.19904	5.8
371.17114	0.5
405.22644	0.7
439.19672	1.0
453.21121	0.7
469.20767	0.3
519.29340	5.1
546.10248	0.3
567.27838	4.2
717.41382	0.5
845.50177	100.0
846.50482	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	845.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02644	0.3
61.02933	5.4
65.03952	0.5
67.05169	0.4
67.05511	5.2
69.03431	3.5
69.07066	1.7
69.96493	0.4
69.96869	0.4
71.01360	0.5
71.04997	1.1
73.02927	4.5
79.05492	4.5
81.03426	1.6
81.07063	5.2
83.04987	0.5
83.08636	0.8
85.02911	5.7
86.09739	0.3
87.04483	0.3
91.03950	3.5
91.05482	2.6
93.07058	4.3
95.04988	0.6
95.08614	3.1
97.02904	4.7
97.06551	1.3
99.04465	0.9
101.02390	1.8
105.07031	1.6
107.08613	2.1
109.02908	0.9
109.10140	1.4
115.03939	0.4
117.07030	0.9
119.08591	1.0
121.10193	1.4
121.92363	0.2
123.11715	0.5
127.03933	1.3
131.08615	0.9
133.10158	0.8
135.11684	1.2
137.05766	0.6
145.04942	0.4
145.10173	0.5
147.11679	0.6
149.13313	0.6
159.11771	0.3
159.79320	0.2
184.07425	0.6
185.04266	0.9
185.98320	0.2
186.69173	0.3
203.05280	0.3
221.11632	0.3
243.08379	2.3
299.67548	0.3
319.18906	0.4
331.18860	0.3
335.25858	0.7
349.19867	9.0
371.16809	0.3
405.22739	0.3
439.19733	0.9
443.18854	0.5
453.21063	0.5
479.22351	0.3
496.64871	0.3
519.29315	5.8
567.27716	3.0
659.76910	0.3
845.50195	100.0
846.50568	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	847.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	3.2
59.21121	0.4
65.03920	1.0
67.05502	1.2
69.03427	0.5
69.07072	1.1
70.06599	3.9
71.05002	0.8
71.57984	0.7
73.02885	0.4
77.03925	0.5
79.05472	1.0
80.05019	0.7
82.06567	1.3
84.04510	1.1
84.08147	5.2
84.59304	0.4
85.02882	1.6
85.06541	0.7
86.09687	0.8
87.04459	0.5
91.04897	0.7
91.05482	14.0
93.07048	17.0
94.06547	0.7
95.04986	4.7
97.02925	0.6
103.05473	13.0
104.04967	0.5
105.04529	1.9
105.07026	1.5
106.06550	1.3
107.04928	0.6
107.07363	0.5
108.04482	0.5
108.08112	0.9
112.11240	2.9
117.05807	0.7
117.07001	0.8
118.06537	2.8
119.04964	0.7
120.05730	1.8
120.08120	5.1
121.06512	100.0
122.06059	1.0
122.06862	1.1
122.09690	1.4
123.04402	0.6
128.06224	0.6
129.07047	0.9
130.06580	0.9
131.04901	0.5
131.07323	1.0
131.08574	0.5
132.04440	1.3
132.08115	2.3
133.06487	0.6
133.08952	0.6
133.10112	0.4
134.06059	0.5
134.09656	2.9
135.08096	0.4
136.07607	0.7
138.05493	2.5
144.04512	0.8
144.08122	2.3
145.08882	0.5
146.06026	4.0
146.09669	4.8
147.10400	4.1
148.07576	9.1
148.11217	4.0
150.05534	1.3
150.09125	1.1
152.03502	1.9
152.07076	0.6
153.05453	2.1
155.08434	0.4
156.08046	0.5
158.06044	0.4
158.09682	1.8
160.07623	0.8
160.11230	2.4
162.05534	1.3
162.09190	1.2
162.12831	0.7
163.03897	2.4
164.07076	17.1
164.10764	1.4
165.05560	0.9
165.07874	1.3
166.05060	1.0
166.08644	1.0
167.05797	2.4
170.09660	0.8
171.10442	0.6
172.07617	2.0
172.11224	6.8
173.12090	1.0
174.09166	10.4
174.12738	2.4
176.07086	2.7
176.10674	2.4
178.08638	8.1
178.10097	0.6
178.12297	0.6
180.10222	3.5
182.08141	23.0
184.11223	2.2
185.12009	1.0
186.09215	1.5
186.12776	4.2
188.07104	1.7
188.10757	1.3
188.14389	0.8
190.08626	4.6
190.10709	0.6
190.12268	4.5
191.09462	1.4
191.12874	0.5
192.10204	6.2
193.10994	1.4
198.05698	0.4
198.09218	0.6
200.10703	5.3
202.08691	1.9
202.12262	0.8
203.09451	0.6
204.06667	1.2
204.10219	13.4
205.11026	1.4
206.11772	11.8
208.09718	3.4
208.13412	1.5
212.10742	3.6
214.08675	0.5
214.12291	5.2
216.06566	0.7
216.10213	2.4
216.13826	2.3
218.08424	0.7
218.11772	20.5
218.40854	0.4
219.12437	1.0
220.09741	0.7
220.13348	1.3
222.07625	2.4
222.11353	1.9
224.09224	0.8
230.08168	1.2
230.11752	8.1
231.12511	0.7
232.09933	2.2
232.13335	24.5
233.14163	1.6
234.07640	0.9
234.11217	2.2
236.09253	0.7
236.12909	1.0
240.10307	1.6
242.11633	2.2
244.09766	1.0
244.13342	4.2
246.11473	0.9
246.14934	7.3
248.09155	4.0
248.12918	1.3
250.10466	1.1
250.14397	36.6
258.11288	6.4
260.12827	5.8
262.10733	3.5
262.14682	0.7
264.12415	1.7
266.14032	1.0
272.12830	4.7
274.14398	2.1
276.12427	1.0
278.17664	0.8
288.12430	0.5
290.13889	13.0
291.14597	0.5
292.15421	4.0
294.13477	1.5
300.12390	0.8
304.15659	0.8
306.13452	0.9
318.13342	0.5
322.16687	0.6
326.17606	0.7
338.17297	2.7
354.17062	1.7
358.16818	0.6
365.19040	0.6
377.13510	2.2
378.17310	0.5
380.18716	1.2
384.18121	1.1
386.19873	1.0
395.19739	0.6
398.19516	0.5
400.17700	1.7
410.19626	7.8
412.21222	12.6
414.19006	2.5
421.17807	0.7
430.22400	2.0
438.19202	0.8
439.18582	0.7
442.22272	18.2
443.22906	0.7
453.20361	1.5
470.21716	0.6
527.13531	0.4
558.25629	0.5
559.24109	0.7
590.27472	7.1
591.26587	0.5
604.25543	0.4
605.28931	1.2
623.29639	25.6
624.30554	0.6
633.27930	0.9
647.29510	1.3
667.25922	3.4
753.34241	1.6
771.34473	2.3
785.36371	21.3
786.36792	0.9
803.37671	3.1
815.34357	0.6
847.36499	46.6
848.36597	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.1
65.03931	0.4
67.05509	5.6
69.03434	2.9
69.07064	1.7
69.64999	0.5
69.65408	1.0
71.01365	0.4
71.04992	0.4
73.02920	3.2
75.04481	0.3
79.05491	3.9
81.03409	1.3
81.07059	4.3
83.04973	0.6
83.08650	0.5
84.11304	0.2
85.02905	4.6
86.09699	0.3
91.03967	3.1
91.05481	2.8
93.07040	3.2
95.04980	0.7
95.08618	2.9
97.02908	4.7
97.06577	0.4
97.10175	0.7
98.21511	0.2
99.04481	0.9
101.02399	1.4
101.02973	0.3
105.07041	1.6
107.08594	2.4
108.86143	0.2
109.02915	0.7
109.06571	0.3
109.10174	2.3
111.08079	0.3
114.61726	0.2
115.03931	0.6
117.06995	0.5
119.08578	1.3
121.06554	0.4
121.10148	1.4
123.08106	0.4
123.11748	0.3
125.09646	0.6
127.03932	1.3
131.08598	0.9
133.10130	0.7
135.11757	0.7
140.18265	0.3
145.10132	0.4
147.11742	0.6
149.13286	0.5
157.51889	0.3
159.11728	0.7
173.11813	0.5
184.07393	0.7
185.04289	0.7
234.07922	0.3
243.08446	2.6
333.69852	0.3
335.25903	0.7
351.21469	2.8
407.24228	0.5
413.17798	0.5
499.21777	0.4
519.29340	5.6
569.29431	5.6
591.31372	0.4
696.33881	0.3
847.51764	100.0
848.51807	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	848.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	3.3
61.02931	11.3
65.03940	3.3
67.05507	100.0
69.03416	2.9
69.07070	9.6
71.04987	2.7
71.56894	2.1
73.02906	4.1
79.05077	1.5
79.05499	23.7
81.07059	39.8
83.04971	2.3
83.08619	9.0
85.02917	14.3
85.06535	3.4
86.06074	1.7
86.09734	1.3
91.03947	9.6
91.05480	17.2
93.07053	27.7
95.04972	2.2
95.08614	27.1
97.02897	9.1
97.10146	3.0
105.07038	8.1
107.08605	16.5
109.06513	1.7
109.10162	86.7
111.08074	3.9
113.74640	1.7
117.07022	3.1
119.08572	13.5
119.68629	1.3
121.06520	1.6
121.10135	13.0
122.81051	1.2
123.08042	1.6
123.11749	3.2
124.04061	1.2
125.09589	2.0
127.03941	3.4
131.08540	6.4
133.10130	6.6
135.11703	10.9
137.09633	2.5
137.13242	1.6
145.04974	4.1
145.10107	5.5
145.11153	1.6
147.11627	4.0
149.13275	6.3
155.10638	5.0
159.11676	4.1
161.13264	2.8
163.06027	5.2
163.14801	2.7
173.11732	20.4
173.13277	4.6
175.14740	1.4
184.07404	2.7
187.14783	1.5
207.59789	1.5
227.12805	5.0
229.14371	98.3
243.21028	4.4
245.85371	1.6
261.22159	19.8
308.82846	1.4
317.24704	3.3
335.25824	79.3
347.25967	1.5
362.69437	1.6
440.59964	1.6
471.34048	2.3
489.35754	85.6
507.36880	9.2
512.17035	2.6
747.23511	1.6
753.80164	1.5
838.38104	1.6
848.51959	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	852.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.5
67.05173	1.7
67.05511	24.9
69.03456	1.4
69.07079	7.5
69.87821	1.2
71.04987	2.3
78.06549	1.2
79.05498	24.6
81.07065	25.0
83.04980	1.2
83.08614	5.5
84.17793	1.2
85.02891	1.8
85.06543	1.4
91.05488	24.3
93.07053	30.5
93.07627	2.2
95.04971	1.1
95.08612	16.7
96.37704	1.1
97.02892	1.7
97.06561	2.1
97.10139	1.5
98.17307	1.3
105.07040	28.1
107.08591	13.7
109.10158	8.8
115.05447	1.7
117.07034	12.2
119.08592	22.2
121.10145	16.0
123.11736	2.7
128.06242	2.6
129.07008	9.3
131.08582	17.5
133.10139	18.8
135.11708	8.3
137.13310	1.8
141.06976	2.1
143.08568	11.1
145.10164	15.5
147.11702	12.1
149.09572	1.6
149.13297	5.1
155.08556	4.0
156.09346	1.3
157.10146	8.9
158.91388	1.5
159.11714	13.0
161.13252	4.8
163.14767	1.3
167.08591	2.4
169.10132	4.9
171.11693	9.4
173.13332	7.5
175.14819	3.4
181.10114	2.6
183.11682	7.5
184.07442	1.9
185.13242	5.1
187.14793	3.1
189.16438	1.7
195.11684	3.8
197.13313	6.4
199.14822	5.2
201.16428	1.3
207.11852	1.2
209.13286	3.3
210.61871	1.2
211.14864	3.7
213.16441	3.2
215.14247	1.3
223.14857	1.2
225.16473	2.3
227.18016	1.6
229.19498	2.0
230.51489	1.2
237.16502	1.6
239.17958	3.0
241.19800	5.7
251.18040	1.5
255.17317	1.8
257.19000	9.3
259.20657	9.1
261.22119	3.0
275.20038	1.6
283.20578	1.7
288.86566	1.6
301.21622	1.5
309.22168	1.2
311.23599	1.4
313.21719	1.5
318.01675	1.2
331.22687	3.2
333.24237	11.1
335.25824	5.4
351.26889	1.5
365.28574	1.3
367.80334	1.3
379.30133	1.5
379.64893	1.2
391.30008	1.5
409.31213	1.6
447.32178	2.2
454.91818	1.3
473.32501	1.6
487.34119	1.8
501.36008	3.0
515.37610	2.0
517.40552	7.7
535.41132	4.0
539.37274	1.9
591.44263	8.5
601.51178	1.5
609.45197	100.0
610.44623	2.5
771.50183	2.0
852.53955	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.4
69.07062	1.1
69.09403	0.4
70.80416	0.6
70.80737	0.4
71.08652	2.1
71.95261	1.5
72.96055	0.4
74.97626	0.4
79.05482	2.2
81.03418	1.2
81.07056	4.9
83.08617	1.4
84.96035	21.5
85.00458	0.4
85.10184	1.0
91.05479	1.4
93.07037	3.0
96.26909	0.3
97.06510	0.3
97.96822	0.5
97.99171	0.4
98.20864	0.4
98.97586	24.0
102.97050	2.0
105.07043	1.0
107.08601	1.2
109.10158	1.6
110.97573	6.9
110.98325	0.5
112.99129	3.1
115.00677	0.5
116.98621	7.8
119.08584	0.6
121.10154	1.4
123.11708	0.9
124.99119	9.2
125.98646	0.6
126.97050	0.8
127.00696	0.4
128.98610	7.4
131.00191	1.8
131.08585	0.5
134.99693	1.6
135.11652	0.5
136.99136	1.2
139.00658	2.1
140.00134	1.7
140.98604	6.1
143.00169	20.3
144.98085	8.4
146.99669	2.9
147.11693	0.5
149.01262	1.2
152.00221	0.6
154.93268	1.4
155.00156	5.9
157.01744	2.0
158.01265	0.9
158.99687	3.9
161.01230	13.8
162.93802	1.4
162.99181	4.6
164.98628	1.1
165.00867	0.4
166.01762	3.1
170.01208	0.6
170.99713	0.8
172.94348	1.5
173.01236	5.3
175.02780	1.1
176.20291	0.3
177.00713	1.0
179.02315	1.1
180.94788	7.6
182.01297	0.5
182.99663	10.7
183.01237	0.7
184.02780	2.0
185.01216	1.6
186.00771	1.0
189.00729	0.4
190.95380	0.7
191.02293	1.0
192.94748	0.4
194.96432	0.6
196.02856	0.5
198.95859	10.8
198.97673	0.7
201.00714	14.6
203.02307	1.1
203.96472	0.8
206.01213	0.8
206.96393	0.6
210.95868	1.7
212.97453	1.5
214.95529	0.7
216.97011	2.0
219.01794	3.2
221.97473	1.7
222.95833	2.8
224.02301	2.6
224.97421	2.8
228.96913	3.9
236.97554	1.0
240.96904	7.6
242.98491	2.6
245.97452	0.5
246.95930	3.7
246.98228	0.9
254.98418	0.6
258.97958	3.1
263.98569	0.8
264.96875	11.6
266.00150	0.3
269.97568	0.4
274.97659	0.5
282.97964	27.5
284.99399	0.4
285.94824	0.4
287.98523	2.3
295.19391	1.8
300.99002	14.0
305.99612	4.8
313.20496	9.6
313.23883	0.6
313.27390	2.6
317.17883	18.0
319.19284	0.5
324.00787	1.4
331.21652	3.9
335.18942	4.4
335.25623	3.3
336.22241	1.0
339.00903	0.6
341.02185	3.6
351.22272	1.1
354.23267	0.4
357.01746	1.5
358.20547	2.4
359.03320	1.5
364.04108	0.9
369.23209	0.9
373.20520	2.4
391.21591	0.4
394.03201	0.4
419.74960	0.4
560.22357	0.5
577.23492	16.5
578.23657	0.4
595.24603	4.1
599.21985	27.9
600.22284	0.8
618.26276	3.3
636.27777	0.5
647.00311	0.4
764.21338	0.5
855.45959	100.0
856.46790	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	856.454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	62.4
65.03937	1.8
67.05508	63.2
69.03440	9.0
69.07063	11.9
69.77651	5.6
71.05004	4.1
73.02916	21.9
75.04467	1.3
76.55763	0.9
79.05495	39.6
81.03426	4.6
81.07062	76.4
83.04985	2.1
83.08611	6.7
85.02908	86.8
85.06546	2.4
91.03961	71.8
91.05480	21.0
91.06006	1.7
93.07047	53.7
95.04987	2.1
95.08610	60.3
97.02898	43.1
97.06531	3.5
97.10183	4.4
99.04465	4.8
99.08091	1.2
103.03947	2.8
105.07026	17.0
107.08600	32.2
109.02882	2.6
109.06482	1.1
109.10161	34.1
111.08073	3.1
112.11263	1.1
113.09644	1.5
115.03938	3.8
117.07018	8.1
119.08588	14.9
120.45687	1.1
121.06564	1.3
121.10152	32.6
123.08029	1.5
123.11711	19.4
125.09616	1.7
127.03922	28.8
131.08572	20.3
133.10136	15.6
135.11687	28.0
137.09662	1.5
137.13243	7.9
138.55281	1.1
139.11157	1.7
142.88815	1.0
145.04965	38.5
145.10141	15.9
147.11699	13.5
149.09616	1.1
149.13272	20.0
151.11214	1.5
151.14854	2.9
153.12769	1.2
155.10757	1.1
159.11703	11.9
161.13268	10.0
163.06024	77.1
163.11137	1.3
163.14824	15.2
165.12794	3.9
173.13275	15.6
175.14835	3.8
177.16359	6.0
179.14285	2.6
184.07330	2.6
187.14835	9.0
189.16425	1.3
191.14325	2.1
201.16405	5.5
203.17947	1.2
205.15854	2.9
215.17992	2.3
219.17404	1.3
233.22691	2.5
241.07155	1.1
243.21095	34.8
261.22147	100.0
263.23788	2.5
279.23120	5.4
323.51138	1.1
325.11145	5.4
335.25821	38.3
353.26874	87.1
479.30261	1.4
497.31061	10.5
702.64441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04528	0.8
65.03941	1.0
67.05507	13.7
69.03435	7.1
69.07070	3.4
69.47694	2.5
69.48103	0.7
71.01348	0.5
71.04985	1.9
73.02905	0.5
78.04705	0.5
79.05056	0.9
79.05497	14.2
80.05009	1.8
81.03421	20.4
81.07057	14.2
83.04980	1.9
83.08609	1.9
85.02909	4.7
85.06568	0.5
86.09762	0.5
91.05479	11.4
93.07053	13.3
95.04969	3.3
95.08614	9.8
97.02896	7.3
97.06511	1.1
97.10186	0.8
98.06054	1.2
98.21474	1.0
99.04446	1.3
103.03961	0.5
103.05479	2.6
105.07043	8.2
107.04957	8.6
107.08603	7.5
108.04481	8.6
109.02884	3.2
109.06511	1.5
109.10149	5.0
110.06059	1.0
111.04427	1.6
111.08028	0.8
115.05444	5.5
116.06218	0.7
117.07023	15.6
119.08592	6.0
121.06508	1.4
121.10136	5.8
123.04455	2.5
123.08068	1.1
123.11699	1.6
124.05239	1.6
125.05999	1.0
125.09650	0.8
126.05522	3.6
127.03926	2.3
128.06221	1.8
129.05504	0.8
129.06993	3.9
130.04187	0.6
130.07767	0.6
131.04941	1.4
131.08586	9.2
132.05693	0.6
133.06438	1.4
133.10141	4.4
135.08031	0.9
135.11699	5.6
137.05992	0.8
137.13307	0.6
141.06975	2.5
143.08568	2.0
144.05701	2.2
145.06490	29.5
145.10112	5.0
147.04381	0.7
147.08046	1.8
147.11678	2.8
149.13254	2.6
151.07581	0.8
152.04671	1.0
153.05450	1.0
155.06036	4.1
155.08595	1.2
156.05688	5.2
157.06500	1.9
157.10133	1.2
159.08043	6.4
159.11696	2.9
161.05992	3.1
161.09644	1.0
161.13248	1.5
163.03903	0.6
163.11255	0.6
163.14897	1.1
167.07051	47.2
169.06454	0.9
169.07730	1.2
169.10107	0.8
171.11731	1.3
172.05251	0.5
173.05994	54.7
173.13297	2.7
175.07588	1.2
175.11212	0.6
175.14848	1.0
177.05367	0.5
179.08601	0.6
181.04938	1.4
181.08643	0.8
181.10088	0.6
183.06552	1.1
183.11642	1.1
184.05206	1.8
185.13243	1.3
187.07576	5.5
187.14810	1.0
189.09099	0.6
189.12692	0.8
190.06261	31.5
191.06912	1.0
193.08568	1.2
195.06497	1.0
199.14795	0.9
202.06264	3.0
203.07036	5.4
203.08720	0.8
204.07698	0.5
205.08609	100.0
206.08963	0.7
207.06531	1.7
208.05209	0.5
209.07948	0.5
214.08629	0.6
215.06963	0.8
217.08611	38.3
218.09201	1.0
219.08090	1.0
219.10173	4.5
221.18860	0.5
223.09566	1.6
231.08047	1.0
231.10141	1.0
232.08916	0.6
233.09599	1.1
235.09654	28.0
236.08331	0.6
243.21036	1.5
247.07497	0.9
247.09668	7.9
248.08345	1.7
249.11188	2.4
259.20615	0.9
261.09152	0.9
261.22122	3.6
263.07233	0.6
263.10672	1.7
264.07703	0.7
265.10730	38.9
268.15878	0.5
269.08063	0.8
271.09659	1.9
273.22079	0.8
275.06985	0.7
275.20169	0.7
275.23242	0.6
276.07697	0.9
277.21680	2.1
279.10233	1.5
288.05511	0.6
291.10065	1.3
293.08002	1.4
299.09183	1.1
301.21475	0.7
303.23148	1.2
307.09503	1.0
308.10312	1.2
313.21597	0.6
315.08649	4.2
319.09470	1.0
320.06836	0.6
323.12885	1.9
327.23160	0.8
330.10950	8.3
331.11700	3.2
337.10791	1.1
339.12164	1.6
341.24579	1.1
343.11630	0.9
351.12308	4.6
351.23184	1.7
353.10181	1.1
368.12555	1.3
369.13397	1.3
369.24393	3.5
371.14822	3.3
383.14896	15.7
386.26797	1.2
387.25443	3.4
401.15927	17.3
404.27899	1.5
405.26218	3.6
417.15454	1.2
422.28964	1.9
423.27368	0.6
464.42181	0.5
472.76102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.2
66.04704	0.8
67.05486	0.4
68.54424	0.3
69.03419	1.1
70.03082	0.2
70.82470	0.6
70.82808	0.3
77.03918	0.5
78.04697	0.5
79.05500	2.5
81.03415	3.1
81.07027	0.7
84.49317	0.3
85.02888	1.0
86.09639	0.4
89.03922	0.3
91.04964	0.5
91.05484	5.2
92.02660	0.3
94.04189	4.0
95.04966	1.3
95.85178	0.3
97.02889	0.8
99.04419	0.3
103.05439	0.7
105.03391	0.4
105.07026	0.5
107.04959	2.4
108.05713	0.6
109.02875	1.1
109.06516	1.4
111.04448	0.2
114.57972	0.2
115.05458	3.9
117.07080	1.2
117.07763	0.3
119.04947	3.0
119.08566	1.3
121.06502	0.9
122.03648	9.2
123.04514	0.3
123.91497	0.2
126.03111	0.3
127.03934	0.3
128.06236	0.6
129.06989	1.0
131.04921	1.0
132.05734	1.8
133.06482	0.3
135.04396	0.8
136.05185	1.7
137.05978	100.0
138.06285	0.3
139.07597	0.4
143.04930	6.5
144.05672	0.6
145.02849	0.4
145.06493	1.2
146.03601	0.4
147.04417	0.7
147.08032	2.1
149.05997	0.7
150.06787	0.4
151.03934	7.7
151.04988	0.7
151.07544	33.6
155.07050	0.7
158.07271	1.9
159.04340	0.4
159.08063	0.7
160.05193	7.8
160.08849	0.9
161.05983	1.6
163.03822	0.5
163.07553	1.0
165.05475	29.9
167.07097	0.4
171.04391	3.0
173.05980	0.8
174.06789	1.9
175.03979	0.5
175.06018	0.6
175.07553	11.7
177.05478	1.0
177.06967	0.5
177.09081	0.5
178.06219	0.2
179.07027	3.7
179.08507	0.3
186.03139	1.3
187.03935	0.7
187.07468	0.5
188.04686	12.7
189.05460	0.5
189.09106	5.3
191.07092	1.5
191.08528	0.3
191.10681	0.7
194.07330	0.6
201.05434	2.8
201.09058	0.3
203.07033	54.2
204.07455	0.5
205.06516	2.2
205.08629	1.4
206.07230	0.4
207.08066	0.8
211.07512	0.4
215.07043	0.4
217.06558	0.5
217.08636	1.2
218.07256	0.3
219.08151	0.6
219.10144	3.8
221.05971	0.7
222.06815	1.4
223.07501	0.3
225.09029	0.3
227.07219	0.4
233.05989	2.3
234.06804	0.8
235.07516	0.8
237.09103	2.0
239.06961	0.3
239.10634	0.4
247.07582	0.7
248.08423	0.3
249.05469	0.6
249.09213	0.9
250.06255	1.8
251.07074	0.9
251.10660	0.3
253.08559	0.9
254.09476	0.3
261.05511	0.4
261.09277	0.6
262.06189	0.5
263.07077	0.9
263.10052	0.3
264.07904	1.1
265.08640	4.0
266.09268	0.6
267.06598	0.4
267.10208	1.1
269.08072	0.4
275.07269	0.3
275.10577	0.4
276.07916	0.3
277.05508	0.3
277.08640	1.8
278.05707	0.9
279.06931	0.3
279.10217	1.1
281.11795	0.8
282.08990	0.3
283.09732	1.1
284.10504	0.6
285.11362	1.1
289.08643	0.8
291.10272	0.5
292.07309	2.9
292.10355	0.4
293.08182	3.6
293.11453	0.6
294.08865	1.0
295.06320	0.5
295.09708	1.3
297.07730	0.7
297.11270	0.9
298.12073	0.9
299.12750	0.4
304.10910	0.5
305.08051	0.4
305.11569	0.3
307.09677	5.0
309.11255	3.0
310.08563	0.4
310.12079	0.4
311.12708	0.9
312.09717	0.4
320.10455	0.6
321.11255	0.7
322.11911	0.3
323.12872	0.4
325.10712	16.3
325.14020	0.9
327.12274	31.3
328.12650	0.4
335.12729	3.0
337.14594	0.5
341.13815	7.3
353.13785	6.5
355.15225	0.4
371.14886	16.7
469.15079	1.0
471.16434	1.5
487.15820	1.6
489.17627	1.1
527.33124	0.3
555.19928	0.3
664.87421	0.3
859.31665	35.3
860.32062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.8
70.06616	0.8
70.81688	0.9
71.29584	0.4
79.05505	0.8
81.07085	0.7
85.02919	0.6
86.09729	0.4
91.05511	0.4
93.07021	0.4
95.08595	0.7
107.08575	0.5
112.67809	0.4
114.74722	0.4
121.06563	0.5
124.99970	0.4
133.03491	0.6
136.06230	0.9
163.03990	0.9
184.07431	1.2
184.39575	0.4
185.04298	0.6
203.05368	1.6
245.06659	0.6
259.07993	0.4
275.07449	0.8
301.20337	0.8
305.08548	1.6
347.09473	5.3
365.10614	6.4
407.11731	2.3
421.13245	2.1
437.12759	1.1
441.68823	0.5
451.14752	0.7
467.13733	2.6
509.14816	4.4
527.16028	5.5
537.30408	5.1
583.18793	2.9
685.21429	0.5
699.35541	9.2
861.40930	100.0
862.41205	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	863.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61475	1.5
69.61882	0.8
75.37003	0.3
93.06982	0.3
98.20715	0.5
160.68996	0.3
403.98550	0.4
425.12204	0.8
440.14603	1.3
441.15604	0.6
445.25531	0.8
475.11462	0.4
509.08698	0.4
715.99194	0.4
863.41846	100.0
864.41785	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	865.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.9
71.59058	0.7
79.29992	0.7
91.05495	0.9
93.07048	1.9
103.05459	1.2
111.30718	0.6
121.06504	7.8
143.04721	2.4
226.80763	0.8
291.04779	3.1
323.07489	1.7
369.09592	1.0
411.10504	5.6
425.12216	1.3
427.13577	3.7
438.37393	0.7
443.13193	17.5
515.69989	0.9
865.39948	100.0
866.40546	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	876.293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02896	0.3
65.03931	0.4
67.05469	0.4
69.03439	4.0
69.45480	2.7
70.06586	0.5
71.01366	2.4
71.05000	15.0
73.02889	1.0
75.04483	25.0
79.05470	1.5
81.03431	2.1
83.04985	3.4
84.08117	0.9
85.02910	21.6
85.06520	1.2
87.04460	1.9
88.65119	0.4
89.03417	0.5
89.03923	7.1
91.05489	4.6
93.07036	1.6
95.04961	0.9
97.02904	8.2
99.04458	3.1
101.02377	0.5
101.06017	0.7
103.05456	1.2
107.04953	4.6
109.02865	1.6
111.04448	2.6
112.11225	1.3
117.03391	6.9
118.06498	0.4
119.04924	2.6
121.06504	5.5
123.04412	0.6
126.57680	0.4
127.03930	0.8
129.05482	1.3
131.04904	0.8
133.02884	0.6
134.03633	1.4
135.04420	16.3
136.03989	0.4
136.05186	1.2
137.05995	0.8
139.03880	1.8
145.02853	13.3
146.03181	0.4
146.06006	0.6
148.07619	0.6
149.05946	0.9
150.03116	0.7
151.07518	0.6
152.07091	0.4
153.01852	0.4
153.05542	0.5
157.10126	0.4
161.04793	0.5
161.08194	0.4
162.05479	1.3
163.03912	100.0
164.03244	1.8
164.07056	0.9
165.01855	0.9
165.04256	0.5
166.02654	0.6
167.03419	8.3
169.34592	0.4
174.05438	0.4
176.07095	3.4
177.01859	2.3
177.05466	3.0
178.02696	0.4
178.04979	0.6
178.08600	0.7
180.04108	0.5
181.04982	2.8
182.08165	0.7
188.07013	0.6
193.05008	0.4
194.08139	1.1
198.05232	0.7
206.08134	0.6
208.09703	2.1
212.07027	0.4
213.07605	2.0
214.08766	0.5
228.06578	0.5
240.06686	0.4
242.08139	0.9
254.08112	3.2
255.06500	0.5
256.06055	1.4
258.07657	0.5
264.05878	0.4
265.07120	0.8
268.05981	0.7
268.09628	0.5
269.06699	2.5
270.07672	5.7
270.10739	0.6
271.08368	4.2
272.05676	0.7
272.09140	0.7
282.07730	0.7
284.05618	1.8
284.09262	1.3
285.06671	0.4
285.09921	0.6
286.07135	18.1
286.10358	0.9
287.07748	1.4
288.08624	1.1
296.09302	0.7
298.07098	4.4
299.07892	18.0
300.08676	8.2
302.06769	0.7
303.11237	0.5
307.08194	0.7
309.06619	0.4
310.06915	0.6
312.08777	1.3
313.09473	2.8
314.10229	39.4
315.10760	1.1
316.08218	1.5
317.08948	14.3
318.09335	0.4
324.08734	1.0
325.09155	3.6
328.08228	2.3
328.11841	1.7
331.10507	5.4
332.11295	50.6
333.11456	0.5
341.08875	0.8
342.09622	3.8
343.10550	0.7
344.07678	0.8
345.08493	1.2
346.12961	1.2
356.11368	0.8
358.09256	0.9
359.09839	2.9
360.10785	37.5
361.11414	0.5
374.12369	14.2
374.17096	0.7
388.14258	0.8
402.11902	1.7
404.57721	0.4
406.14987	17.9
504.15094	1.0
518.16730	0.5
522.15967	0.5
536.17688	0.7
656.19678	1.5
670.21356	0.7
684.19373	6.9
698.20844	59.2
699.20953	1.7
730.10382	0.6
730.23456	16.7
844.26611	74.9
845.26709	1.9
876.28345	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	881.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	0.6
71.58822	0.7
85.99362	0.5
91.05478	2.9
109.66396	0.5
110.91362	0.5
119.04964	1.6
133.56230	0.5
137.05972	5.9
159.04228	1.4
181.04941	0.6
231.02701	0.6
258.25574	0.6
260.27930	0.6
291.04852	2.4
305.06482	0.7
314.17551	0.6
323.07281	3.1
367.08188	0.7
385.09158	1.3
427.09988	7.5
441.11688	1.9
443.13150	3.9
459.12613	21.5
463.26950	1.0
881.39240	100.0
882.39539	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	883.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	0.2
71.58517	0.2
73.02910	0.1
80.71447	0.1
85.02927	0.6
91.05492	0.9
98.97645	0.1
102.72689	0.1
103.05492	0.2
115.05425	0.6
116.06231	0.1
117.03451	0.1
117.07014	0.3
121.06475	0.1
128.06212	0.7
129.07014	4.8
131.04913	0.7
131.08575	5.0
137.05991	1.1
139.85007	0.1
141.06995	3.4
143.04933	0.4
143.08545	0.5
144.05725	0.7
145.02818	0.1
145.05063	0.2
145.06480	0.6
146.07269	0.3
149.06009	0.2
151.07516	0.3
153.06947	0.1
157.06496	4.6
158.07295	1.6
159.04460	0.2
159.08066	5.6
160.05244	0.8
161.05986	0.2
161.09697	0.6
163.03946	0.4
163.07561	0.6
169.06491	2.4
169.07777	0.3
170.07275	1.1
171.08028	0.4
173.06032	0.3
173.09633	0.3
174.06769	9.8
175.07556	2.5
176.08327	0.2
177.05476	0.3
177.09140	0.2
179.05519	0.2
186.06779	2.4
187.07573	0.5
188.08339	0.6
189.09116	22.0
190.09476	0.2
191.07088	0.3
191.10698	1.9
201.09116	8.4
203.10648	1.4
207.10187	0.5
219.10173	100.0
220.10501	1.0
221.11761	0.3
237.11220	2.3
237.13422	0.1
363.45560	0.1
381.15268	0.2
413.11060	0.1
470.99271	0.1
489.17007	0.1
754.14142	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	886.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.2
69.96280	0.1
69.96693	0.2
77.03919	0.3
79.05487	0.1
81.03405	0.2
86.38978	0.1
91.05482	3.8
93.07049	6.4
95.04990	1.1
98.20802	0.1
102.04712	0.1
103.05472	4.0
104.05820	0.1
105.04521	0.5
109.06529	0.1
121.06509	100.0
122.03690	0.1
122.06837	0.6
137.05980	0.1
151.03886	0.7
165.05481	7.1
207.06572	0.2
271.09732	0.3
277.15768	0.1
301.11774	0.1
303.70294	0.1
311.06320	0.1
313.10831	0.1
345.13348	1.2
476.73495	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	888.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.1
67.05508	37.7
69.03419	1.6
69.07075	11.4
71.04991	2.5
71.08620	0.7
71.39231	1.0
73.02922	1.7
77.39426	0.7
78.85551	0.6
79.05499	24.2
79.05967	1.2
81.03397	1.0
81.07061	43.5
83.04980	2.9
83.08620	6.2
85.02903	6.2
85.06546	2.0
87.04472	0.8
91.03969	2.8
91.05483	11.5
93.07049	36.2
95.04966	2.6
95.08611	19.3
97.02892	3.8
97.06538	5.5
97.10163	1.2
99.04426	0.8
99.08091	1.9
105.07030	6.5
107.07879	1.1
107.08600	19.2
107.09290	1.2
109.06539	1.2
109.10172	8.1
111.08094	2.2
113.09667	1.1
117.07030	4.4
119.08571	5.0
121.06483	0.9
121.10149	16.0
123.08084	1.3
123.11729	1.7
127.03934	1.5
131.08582	7.6
133.10118	5.8
135.08072	1.2
135.11684	7.7
139.11166	0.8
145.04971	1.8
145.10138	2.9
147.11736	3.0
149.13269	13.4
149.67229	0.6
157.10222	0.9
159.11703	7.9
161.13306	2.3
163.06013	1.7
163.14864	1.3
173.13249	1.4
175.14900	1.0
177.12807	2.2
187.14883	1.2
195.13878	4.0
243.21124	2.3
258.75577	0.7
261.22150	6.6
267.15924	1.3
269.17480	39.0
270.17999	0.7
317.24954	1.5
335.25824	40.1
336.25873	0.7
437.34171	1.3
455.35199	0.9
529.38922	100.0
530.39478	3.1
545.47272	0.8
547.39832	1.9
888.50140	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	889.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.7
66.04707	1.0
67.05507	0.4
69.03409	0.7
69.43906	0.2
70.06571	0.3
70.08397	1.1
70.46046	0.2
77.03909	0.5
79.05506	1.3
81.03426	2.2
81.07032	0.5
85.02926	1.2
86.09684	0.3
89.03442	0.3
89.03926	2.1
91.05489	3.2
93.07019	0.4
94.03696	0.2
94.04202	3.2
95.04945	0.8
97.02867	0.6
98.21509	0.2
99.04439	0.3
103.05467	1.1
105.03358	0.5
105.04530	0.3
105.07037	0.4
106.04178	0.3
107.04939	1.5
108.05725	0.4
109.02866	0.9
109.06522	0.7
115.05452	0.7
117.03386	6.1
117.07031	0.6
119.04964	2.7
121.02881	0.4
121.05770	0.2
121.06524	1.4
122.03647	7.8
124.05209	0.5
128.06227	0.3
129.06955	0.2
130.04129	0.2
131.04927	1.2
133.06514	0.3
134.03603	0.4
135.04387	0.9
136.05206	0.5
137.05983	100.0
138.06337	0.6
141.05402	0.3
143.04947	2.2
144.05670	0.4
145.02855	18.1
145.06493	0.6
147.04411	2.2
147.08060	0.3
149.06001	2.6
150.06721	0.7
151.03915	4.7
151.07549	17.2
155.07033	0.6
157.06424	0.2
158.03625	0.5
158.07285	1.1
159.08032	0.6
160.05174	0.3
160.08801	0.5
161.05975	0.8
162.06728	0.5
163.03903	0.4
163.07536	1.4
165.05481	16.3
167.03441	0.3
167.07059	0.6
173.06020	2.0
174.06813	1.0
175.03931	2.3
175.07535	1.3
177.05481	35.5
178.05733	0.4
179.07048	1.5
180.06500	0.4
180.07829	0.3
181.08615	2.8
186.03174	1.4
186.05493	0.5
187.07571	0.7
189.05464	0.6
189.07326	0.4
189.09113	4.0
191.07095	0.3
191.10693	0.9
199.03880	0.2
201.05478	23.1
202.05795	0.3
203.07076	1.7
205.06558	0.9
205.08649	0.8
213.05482	0.6
217.06511	0.3
217.08617	0.7
219.10136	2.6
220.06026	0.2
231.06558	0.9
233.06044	0.7
234.06796	1.5
235.07553	0.5
237.09137	1.0
245.06055	0.5
247.07458	0.5
249.05556	0.3
249.09218	0.6
250.06155	0.6
251.07059	0.5
254.09473	0.3
261.05527	0.4
262.06308	1.3
263.07141	0.5
263.10535	0.2
264.08032	0.3
265.08499	1.8
273.05576	0.4
276.07654	0.4
277.08688	1.6
278.05777	0.5
279.06494	0.6
279.10233	0.2
285.11325	0.3
289.05112	0.2
290.05771	1.4
291.10190	0.6
292.07416	0.7
293.08136	1.2
294.08777	0.3
297.11432	0.6
305.08252	2.6
305.11548	0.4
306.08963	0.4
307.09573	1.1
309.11273	0.3
311.12988	0.3
319.09833	0.2
321.09839	1.3
322.08340	0.3
323.12836	0.3
325.10760	1.4
325.14340	0.4
327.12305	0.3
335.12787	0.6
337.10562	1.6
337.14328	0.3
339.11050	0.8
341.13879	4.8
351.12186	0.3
353.13821	2.0
355.11774	21.2
357.13330	1.5
371.14914	13.7
499.15973	1.3
501.18454	0.4
503.20871	0.4
517.16852	1.8
519.18744	0.9
551.22827	0.8
693.30988	0.3
889.32758	27.3
890.33002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.9
66.04720	1.5
67.05499	0.7
68.77527	0.3
69.03403	0.8
70.06579	0.9
71.04971	0.4
71.59136	0.4
77.03898	0.6
78.04700	0.6
79.05501	4.1
81.03422	3.3
81.07053	1.2
84.08141	0.4
85.02885	0.9
86.09708	0.7
91.05490	3.7
93.07016	1.3
94.04191	4.6
95.04972	1.8
95.08599	0.4
97.02882	0.7
99.04396	0.3
103.05495	1.3
105.03384	0.3
105.04542	0.3
105.07024	0.9
106.04195	0.5
107.04292	0.5
107.04965	6.0
108.05741	0.4
109.02876	1.0
109.06529	1.9
109.10134	0.4
111.00806	0.2
111.04391	0.3
115.05459	4.3
117.07024	1.3
119.04932	0.9
119.08568	1.1
119.97726	0.2
121.02820	0.3
121.06506	3.3
121.76774	0.2
122.03655	9.7
123.04418	1.3
124.05196	1.0
125.05968	0.5
126.03136	0.4
127.03881	0.3
128.06223	0.5
129.06993	1.1
131.04935	1.6
132.05737	1.8
133.06509	0.6
133.34032	0.2
134.03624	0.3
135.04419	1.1
135.08133	0.3
136.05197	1.3
136.07608	0.3
137.05989	100.0
138.03059	0.3
138.06436	0.4
139.07584	0.4
140.04729	0.4
141.05490	0.3
143.04930	7.6
144.05690	0.6
145.02884	0.6
145.06473	1.4
147.04393	0.9
147.08011	1.4
149.05988	1.1
151.03940	8.4
151.05008	0.8
151.07555	28.8
152.04681	0.7
153.05481	1.5
155.04868	0.3
155.07045	1.9
157.06487	0.7
158.07306	2.0
159.04416	0.3
159.08080	0.7
159.14200	0.3
160.05223	9.3
160.08842	0.7
161.06013	1.6
162.06775	0.3
163.03917	0.6
163.07552	0.8
165.05486	37.4
165.06627	1.3
166.06149	0.9
167.07053	19.6
171.04422	3.0
173.05981	0.9
174.06807	2.1
175.03868	0.4
175.07553	8.1
175.09018	0.5
177.05492	1.1
177.09114	0.8
179.07062	4.8
179.08562	0.5
181.08614	6.0
186.03136	0.6
187.03886	0.9
187.07603	1.2
188.04703	16.5
189.05447	0.9
189.07307	0.5
189.09113	6.2
191.07045	0.8
191.08749	0.3
191.10699	0.8
199.07455	0.6
201.05478	3.5
201.09100	0.4
203.07045	68.0
204.07462	0.4
205.06509	1.3
205.08643	2.0
205.12366	0.4
207.06497	0.7
207.08087	0.9
209.07935	0.3
211.07520	0.4
214.05188	0.3
215.07069	0.4
217.06610	0.4
217.08600	1.2
218.07391	0.4
219.08092	0.8
219.10103	4.6
220.05269	0.7
221.06018	0.6
222.06773	0.7
223.07527	0.4
233.06003	1.8
234.06854	0.7
234.11383	0.3
235.07591	1.8
236.08438	0.4
237.05496	0.4
237.09167	1.2
239.06921	0.3
246.06706	0.3
247.07520	1.2
248.12660	0.4
249.05505	0.5
249.09137	0.5
250.06308	0.8
251.07109	0.6
251.10873	0.3
252.07916	0.4
253.08649	0.4
255.10146	0.4
261.05536	0.4
261.09174	0.7
262.06631	0.3
263.07126	1.9
264.07840	1.1
265.05688	0.4
265.08627	2.8
265.11679	0.3
266.09592	0.5
267.06604	0.9
267.10141	0.8
268.07333	0.3
269.11703	0.3
271.09726	0.3
275.07166	0.4
275.10751	0.5
276.07840	0.4
277.08719	0.7
278.05664	0.6
278.09354	0.5
279.10187	1.4
280.07425	0.4
280.10986	0.4
281.11630	0.3
282.09024	0.3
283.09659	4.0
285.11160	0.3
289.08682	0.9
291.10236	0.3
292.07483	1.5
292.10336	0.3
293.08133	2.4
293.11551	0.5
294.12582	0.4
295.06323	0.3
295.09653	1.5
297.11151	1.6
298.11990	0.6
304.11020	0.9
305.08203	0.8
307.09659	3.5
308.06885	0.3
309.07666	0.5
309.11041	0.5
310.08420	0.6
310.11929	0.5
311.12701	1.2
312.09863	0.4
315.12225	0.6
320.10526	0.9
321.11218	0.9
322.08481	0.4
322.12042	0.4
323.09235	1.0
323.12851	0.8
324.10019	0.7
325.10736	4.1
325.14417	1.4
327.08923	0.4
327.12137	1.6
329.14001	0.4
335.12784	3.4
337.10794	1.2
339.12192	1.0
341.13852	8.8
342.11023	0.6
353.13889	9.7
353.18259	0.5
355.11804	9.1
355.16110	0.6
357.13348	45.9
358.13632	0.7
367.11813	0.4
369.13425	0.8
371.14929	19.0
499.15875	0.3
501.17661	1.3
517.17413	0.6
519.18652	0.5
693.29413	0.3
889.32794	42.2
890.32855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	0.3
65.03942	0.9
66.04708	1.1
67.05489	0.8
69.03416	0.8
69.84914	1.2
70.06599	0.4
71.04946	0.3
79.05505	3.0
81.03419	2.8
81.07074	1.3
84.04503	0.3
85.02902	0.8
86.09719	0.4
91.05487	2.9
93.07019	0.6
94.04198	4.2
95.04958	1.0
95.08604	0.4
97.02889	1.0
98.20806	0.5
99.04452	0.6
103.05453	1.3
105.03397	0.4
105.04501	0.3
105.07037	0.8
107.04957	3.3
107.08623	0.3
107.66928	0.2
108.05740	0.5
109.02866	1.2
109.06546	1.3
109.10202	0.3
111.98482	0.3
115.05454	2.4
117.06982	0.6
119.04955	1.0
119.08568	0.7
121.02879	0.5
121.06528	2.4
122.03661	8.0
123.04468	0.6
125.06006	0.3
127.03913	0.4
127.99833	0.3
128.06216	0.4
129.07024	0.5
131.04953	1.9
132.05708	0.7
133.06514	0.7
134.03629	0.4
135.04428	1.1
136.05188	0.8
137.05984	100.0
138.06320	1.3
139.07512	0.4
141.05409	0.3
143.04932	5.2
144.05737	0.7
145.02866	0.8
145.06505	1.1
147.04419	0.8
147.08072	0.8
149.05975	1.1
150.01302	0.2
151.03931	13.1
151.05002	1.1
151.07549	25.1
151.28758	0.3
152.04620	0.3
153.05519	0.6
155.04932	1.8
155.07054	1.3
157.06541	0.6
158.03621	0.4
158.07298	1.8
159.04419	0.7
159.08083	0.5
160.05209	3.8
160.08919	0.5
161.06018	2.1
161.09644	0.3
163.03952	0.5
163.07629	1.6
165.05482	27.7
166.06068	0.5
167.07053	7.8
167.08411	0.5
171.04524	1.7
172.05215	1.2
173.06055	1.0
174.06720	1.4
175.07561	4.8
177.05571	2.0
177.06947	0.5
177.09161	0.4
178.05862	0.3
178.07913	0.3
179.07043	3.4
181.07138	0.4
181.08594	2.3
183.04469	1.4
184.05200	0.4
185.05972	0.4
186.03157	0.6
186.06747	0.3
187.07533	2.5
187.64108	0.3
188.04694	6.8
189.05489	1.1
189.07277	0.5
189.09103	4.9
190.06136	0.3
191.07072	0.7
191.10689	0.5
194.07309	0.3
200.04709	1.6
201.05475	5.1
203.07040	25.8
204.07816	0.3
205.06522	1.8
205.08606	1.1
205.12263	0.5
206.07246	0.6
207.06534	0.9
207.08215	0.7
213.05515	0.6
215.07010	4.8
215.08839	0.4
217.06705	0.3
217.08653	1.0
218.07414	0.7
219.08122	0.7
219.10115	3.7
220.05211	0.3
221.05983	0.4
222.06804	0.9
223.07600	0.4
224.08363	0.3
229.06581	0.6
231.06445	0.4
233.06024	1.8
233.07921	0.4
234.06734	2.0
235.07545	1.3
237.09140	0.7
239.07088	0.6
245.05977	0.6
246.06717	0.7
247.07596	1.2
248.08376	0.5
249.05435	0.5
249.09178	0.6
250.06187	1.4
251.07123	0.6
252.07880	0.3
253.08719	0.6
257.06027	0.8
261.05481	0.4
261.09174	1.4
262.06409	1.8
262.10095	0.3
263.07114	1.6
264.07864	1.0
265.08630	2.7
267.06696	0.3
267.10129	0.6
273.05560	0.6
274.06268	0.7
275.07288	0.4
275.10834	0.4
276.07718	0.4
277.05447	0.4
277.08618	2.6
278.05960	0.4
278.09406	0.6
279.07028	0.5
279.10266	1.5
280.07269	0.4
283.09735	1.5
285.11292	0.6
287.07062	0.3
289.08585	2.5
290.05853	1.8
290.09009	0.4
291.06635	0.6
291.09970	0.5
292.07358	1.5
293.08160	2.4
293.11383	0.5
294.08771	0.4
295.09802	0.9
296.10300	0.4
297.11322	0.9
298.12018	0.6
304.10861	0.5
305.08118	4.1
305.11438	0.6
306.08795	0.9
307.06186	0.6
307.09592	4.5
309.11200	0.6
310.08493	0.5
310.11816	0.4
311.12866	1.0
319.09839	0.5
320.10373	0.5
321.11240	5.7
322.08353	0.5
322.12006	0.5
323.09161	0.6
323.12573	0.5
325.10739	8.9
325.14371	1.0
326.11359	0.4
327.12186	1.8
332.24689	0.2
335.09079	0.4
335.12772	2.4
337.10715	7.5
337.14502	0.7
338.11197	0.6
339.12332	7.2
339.16309	0.4
341.13861	6.9
351.12256	0.3
353.13885	6.7
355.11740	4.9
355.15414	0.5
356.12469	0.4
357.13358	18.5
369.13315	0.6
371.14902	16.2
372.15399	0.5
431.57568	0.3
469.15311	0.7
487.16397	0.9
499.16510	0.3
501.17773	1.2
517.17157	1.1
519.18494	0.4
643.15332	0.4
709.25946	0.5
889.32794	34.8
890.32294	1.4
892.00482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02374	0.4
65.03947	2.2
69.03432	0.9
71.01365	0.5
71.04639	0.6
71.05003	8.1
73.02921	0.5
75.04509	0.5
79.05511	1.0
81.03421	0.7
83.04995	1.1
85.02910	8.7
85.09007	0.3
87.04464	0.3
89.03916	3.2
91.05488	14.9
92.05022	1.0
97.02909	1.0
98.20771	0.7
99.04431	0.6
105.03416	0.5
107.04983	1.0
108.08161	0.3
111.04468	1.1
116.04987	0.8
117.03397	4.3
117.05764	1.3
118.06565	3.5
119.04953	5.9
120.04446	1.7
120.08195	0.3
121.06534	0.4
129.05498	0.9
134.06029	0.8
134.09705	0.8
135.04440	6.6
136.07602	0.7
137.05992	21.4
137.96088	0.3
144.04468	7.1
144.05595	0.4
145.02873	5.1
146.06026	10.8
147.04462	1.4
148.03972	1.0
149.04788	0.3
160.07640	1.4
162.05510	2.2
162.09201	0.4
163.03920	33.4
164.07076	1.8
165.05511	0.6
172.03951	2.3
176.07091	5.1
178.08647	18.9
188.07082	11.1
188.08792	0.5
190.05016	0.5
190.08603	2.5
194.08284	0.4
204.06570	3.0
206.08109	4.6
208.09735	0.6
209.10550	0.3
210.11404	0.4
216.06578	8.2
217.07004	0.3
220.09711	40.1
222.07825	1.4
222.11270	40.1
223.11783	0.7
224.09207	0.5
234.07631	2.3
238.10817	0.9
248.09213	21.4
254.13898	4.5
266.10257	27.7
268.19119	0.3
280.11823	11.5
298.12894	3.8
366.15332	0.6
426.17773	0.4
507.70139	0.4
632.20898	0.4
872.28162	0.6
904.32404	100.0
905.32373	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02356	0.5
65.03938	1.4
67.05505	0.3
68.01675	0.2
69.03426	2.2
69.35934	1.1
69.36374	1.0
70.06559	0.2
71.04958	1.0
79.05466	0.8
81.03420	1.6
83.04974	0.7
85.02926	1.2
89.03405	0.4
89.03922	5.8
91.05484	13.7
92.04968	0.7
95.04958	0.4
97.02892	2.5
98.21430	0.5
99.04451	0.5
107.04929	1.1
109.06467	0.6
111.04431	0.7
114.10246	0.3
116.04974	0.7
117.03384	6.0
117.05750	2.0
118.06544	6.9
119.04947	5.0
120.04456	0.9
121.06448	0.6
123.04383	0.3
127.03934	0.4
132.08072	0.6
134.09680	1.6
135.04430	10.4
136.07579	0.5
137.05986	14.9
144.04462	4.3
145.02847	9.0
145.03990	0.3
146.06015	26.6
148.03909	1.2
160.07617	1.3
161.08279	0.2
162.05524	2.8
162.09119	1.0
162.53250	0.2
163.03914	49.1
164.04185	0.5
164.07056	1.0
164.10725	0.3
166.92719	0.2
172.03926	1.8
176.07077	3.5
178.08641	36.5
180.10187	0.5
181.04919	0.6
188.07077	7.4
190.05013	1.4
190.08638	5.9
194.08142	0.4
196.09793	0.4
204.06622	2.4
204.10248	0.6
206.08144	8.0
207.08916	0.3
208.09698	1.0
209.10504	0.4
210.11296	0.6
216.06563	5.9
220.09705	27.6
222.11263	79.9
223.11717	0.8
224.09175	1.2
234.07617	4.4
238.10735	1.2
248.09189	17.7
254.11180	0.5
254.13881	12.6
266.10248	44.6
267.10565	0.5
280.11823	6.6
298.12857	10.0
325.09369	0.3
366.15442	1.7
390.31927	0.3
394.15060	0.3
426.17624	2.0
505.66321	0.3
872.29065	0.5
904.32373	100.0
905.32770	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	910.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06372	0.3
65.03913	0.4
70.06565	0.6
71.04981	0.7
71.57278	0.3
71.57707	0.4
75.51074	0.3
77.03885	0.3
81.03395	0.4
81.07066	0.3
85.02872	1.1
87.25039	0.3
91.05491	7.7
93.07053	8.1
95.04982	2.4
96.40997	0.3
97.02863	0.5
98.21089	0.4
103.04809	0.5
103.05480	7.4
105.04469	1.0
107.05014	0.3
116.04993	0.5
117.05795	1.7
118.06552	4.5
120.04476	0.5
120.08132	0.4
121.06517	41.5
122.06810	0.6
132.08022	0.3
134.09665	1.6
135.04501	0.3
136.07539	0.8
137.05920	0.7
138.45213	0.3
144.04471	3.0
144.08037	0.5
145.10164	0.3
146.06023	20.7
148.03925	0.6
151.03909	0.7
152.07132	0.4
158.85326	0.3
160.07596	0.6
162.05510	3.0
162.09145	1.2
163.03918	2.1
164.04164	0.4
164.07069	2.4
165.05511	3.0
172.03931	1.5
176.07036	2.4
178.08650	34.1
180.06534	0.7
180.10182	1.2
188.07080	5.5
190.04958	1.8
190.08669	5.2
194.08147	0.8
197.10590	0.6
204.06534	1.5
204.10245	0.6
206.04434	0.6
206.06270	0.7
206.08154	10.1
206.10086	0.6
208.09718	4.5
209.10446	1.4
216.06586	4.8
220.09709	24.8
222.11273	82.8
223.11984	3.0
224.09212	4.5
224.12759	0.9
234.07646	7.0
238.10727	2.4
240.12350	1.5
248.09216	17.0
250.07141	0.8
250.10793	0.4
252.08543	0.6
264.08701	1.7
266.10260	92.7
267.10645	0.9
268.08249	0.5
268.11581	0.6
271.09900	0.4
282.10431	0.4
282.13425	1.4
296.14908	0.6
312.14355	0.4
342.12015	0.4
342.15778	0.5
384.16492	0.7
386.15979	6.3
400.15976	2.4
402.16901	0.5
404.17163	0.9
426.14285	0.4
444.14496	0.4
446.16873	0.6
532.21936	0.5
548.21423	1.5
564.20874	7.8
566.22742	2.1
910.34973	100.0
911.35522	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	917.7594
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87318	0.2
65.03950	0.2
66.50112	0.2
67.05504	1.5
69.07053	1.2
70.24915	0.3
70.25270	0.8
71.05007	0.2
79.05495	1.4
81.07054	4.9
83.04981	1.3
83.08619	1.2
84.85633	0.2
84.96056	0.4
85.06528	0.2
91.05476	1.6
93.07040	3.9
95.04951	1.0
95.08606	7.9
96.08942	0.3
97.06516	0.5
97.10155	0.7
98.97589	0.2
99.08145	0.2
105.07037	3.7
107.08594	6.6
109.06551	0.5
109.10150	6.6
111.08094	0.6
117.06968	0.4
117.92081	0.2
119.08569	5.8
121.06480	0.6
121.10136	5.4
123.08069	0.5
123.11697	2.4
125.09644	1.9
129.06940	0.3
130.14191	0.2
131.08556	0.9
133.10133	4.8
135.08064	0.7
135.11688	4.9
137.09592	0.5
137.13249	0.8
139.07539	0.5
139.11165	0.2
143.08580	0.7
145.10135	1.7
147.04398	0.3
147.08029	0.4
147.11693	3.5
149.09605	1.5
149.13263	2.1
151.11147	0.6
153.05476	0.4
153.12706	0.2
157.10085	1.0
159.11676	1.3
161.09612	1.5
161.13249	2.4
163.03944	0.7
163.11174	0.7
163.14819	1.1
169.10222	0.2
171.11731	0.9
173.09618	0.3
173.13266	1.3
175.11209	1.1
175.14824	3.9
177.12724	0.4
177.16348	1.7
179.14336	0.4
183.11720	0.4
185.13257	0.9
187.11218	0.4
187.14801	1.3
189.12741	0.7
189.16376	3.6
191.17975	1.8
197.13297	0.5
199.14844	0.6
201.12686	0.4
201.16406	0.7
203.14365	0.6
203.17926	3.1
205.19603	0.2
207.17516	0.7
211.14749	0.4
213.16434	0.7
215.14471	0.2
215.17995	0.6
217.15871	0.6
217.19508	0.5
221.18980	1.8
227.17860	0.2
229.16029	0.3
229.19624	0.2
231.17445	0.6
233.19073	0.4
235.16913	2.6
235.20625	0.3
241.19278	0.2
243.21191	0.4
245.18912	0.2
249.18501	1.0
255.21062	0.2
257.22443	0.3
259.20605	0.3
267.21078	0.4
285.22131	0.7
301.20020	0.4
303.23157	1.0
311.23743	0.3
317.17831	0.3
319.55472	0.2
343.21341	0.4
414.95813	0.2
421.34659	0.9
425.37836	1.5
439.35779	4.1
457.36752	100.0
458.37085	3.2
459.37546	1.4
460.26059	0.3
460.37634	1.0
460.75867	0.3
461.26572	0.3
563.88702	0.2
688.37329	0.3
688.88037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.5
67.05512	38.3
69.03432	2.1
69.07076	6.9
69.90506	2.5
71.05000	12.6
73.02914	2.0
79.05502	22.4
81.03414	1.0
81.07065	58.8
83.04984	2.3
83.08639	4.6
85.02917	8.7
85.06547	6.0
87.04498	0.7
91.03967	3.8
91.05492	16.8
93.07054	24.7
95.04971	2.4
95.08615	18.2
97.02905	4.0
97.06533	2.8
97.10176	1.5
98.21548	0.6
99.04449	1.1
105.07041	10.1
107.08608	13.5
109.06547	1.7
109.10162	8.8
111.08099	1.6
115.67282	0.6
116.36627	0.6
117.07047	4.1
119.08588	5.6
121.10159	11.7
123.08081	1.0
123.11720	10.7
125.09628	0.7
127.03934	1.9
131.08582	4.9
133.10143	13.0
133.11090	1.0
135.11697	5.9
137.13289	0.8
143.08621	0.8
145.04982	1.7
145.10103	3.1
147.11679	3.3
149.13289	4.1
151.11205	5.0
153.12775	0.9
159.11702	4.8
161.13254	2.4
163.06046	2.6
163.14883	1.2
169.12296	0.9
173.13295	2.3
175.14929	0.9
183.13864	2.0
187.13307	2.8
187.14848	1.1
195.13841	1.3
195.78470	0.6
227.16481	1.0
243.15990	1.2
243.21320	0.9
257.17648	1.1
261.22171	2.0
269.17490	4.8
301.20093	11.9
317.24802	0.9
335.25824	20.0
437.34283	0.9
485.36346	2.2
503.37378	66.2
504.37387	1.2
511.37863	0.8
517.39160	2.4
529.38953	14.7
547.39929	1.3
561.41553	100.0
562.41840	2.1
586.30865	1.0
647.41980	0.9
705.45721	2.2
920.50201	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	924.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.7
69.03436	1.9
69.72762	1.7
70.06593	0.4
77.03943	0.9
77.14870	0.2
77.60313	0.3
78.04711	0.5
79.05499	0.8
81.03419	6.8
81.07059	0.4
85.02921	1.6
89.03917	6.3
91.05482	7.6
93.07043	1.1
94.04195	1.2
95.04968	0.9
97.02901	1.1
99.04453	0.8
103.05481	2.0
105.03383	2.1
105.04516	0.3
105.07056	0.9
106.04194	0.5
107.04955	1.2
107.08617	0.6
109.02892	2.3
109.06540	0.5
115.05463	0.4
117.03381	22.2
117.07047	0.6
119.04948	11.8
119.08599	0.3
121.06487	2.9
122.03645	2.0
123.04420	0.5
124.05212	0.9
125.06068	0.4
127.03921	0.6
130.04156	0.6
131.04939	2.2
133.02858	43.9
133.06490	0.8
134.03645	1.9
135.04430	2.6
135.08025	0.6
136.07512	0.3
137.05981	35.4
138.06331	0.3
142.17825	0.4
143.04942	0.9
145.02850	59.6
145.06497	1.0
146.03355	0.3
147.04416	10.7
148.05162	0.3
149.05986	23.5
150.06763	7.1
151.03903	2.0
151.07550	8.7
152.08315	0.4
157.03987	1.2
157.06528	0.4
158.03720	0.6
158.06065	0.6
158.07266	0.5
159.08095	0.4
160.05283	1.3
161.02376	0.4
161.05986	7.3
162.03148	0.8
162.06758	4.1
163.03894	1.0
163.07524	1.8
164.08372	0.4
165.05487	11.1
165.06894	0.6
167.07050	2.0
173.06024	1.8
174.03195	0.4
174.06792	1.0
175.03915	22.5
175.07414	1.7
177.05475	100.0
178.05803	0.6
178.16945	0.3
179.07031	5.8
180.07874	0.7
181.04951	0.3
181.06596	0.3
181.08607	0.5
186.03154	1.0
186.05486	2.0
187.07527	1.9
189.05501	0.6
189.07181	0.4
189.09125	2.3
191.07063	0.8
191.08664	0.4
191.10645	0.3
193.04982	1.0
195.06511	0.4
201.05476	26.9
203.07082	0.7
205.06520	2.9
205.08583	0.7
206.07289	0.5
207.06425	0.4
213.05478	1.2
215.07095	0.4
217.06558	0.5
217.08598	0.8
218.09402	0.4
219.06458	0.7
219.08145	0.8
219.10240	0.9
221.06044	0.7
222.06769	0.9
231.06497	4.0
231.10069	0.4
232.04996	0.4
233.05994	5.7
233.07950	0.3
234.06729	1.3
235.07666	0.6
236.08249	0.3
237.09079	1.2
245.05829	0.5
247.07532	1.8
248.08333	0.4
249.05463	1.7
249.09154	0.8
250.06210	1.7
251.07039	0.4
254.09518	0.4
261.05576	3.4
261.08597	0.4
262.06320	1.3
262.09918	0.3
263.07089	0.9
264.07745	1.4
265.08597	4.7
266.09436	0.4
275.06943	1.1
276.07831	0.5
277.05042	1.0
277.08655	2.1
278.05804	0.6
278.09372	0.5
279.06497	0.4
279.10074	0.9
284.10294	0.3
285.11343	0.5
290.05679	1.5
292.07370	2.7
293.08096	5.5
294.08832	0.6
295.06216	0.3
295.09494	0.3
297.11148	1.1
298.11755	0.3
299.12869	0.5
305.08154	3.9
305.11520	0.5
306.08676	0.4
307.09625	2.5
309.11267	0.9
309.99478	0.3
310.11984	0.4
311.12820	0.3
321.09799	2.2
322.08362	0.5
322.12003	0.4
323.09238	0.3
325.10712	62.9
326.11139	0.5
337.10788	7.8
337.14487	1.8
339.11478	1.1
341.10135	1.3
341.13928	0.9
353.13828	0.5
355.11740	31.7
355.15445	2.7
356.11868	0.4
371.15103	2.4
373.12772	3.0
469.14987	4.1
481.15173	0.3
487.15988	10.2
499.16092	2.3
505.17902	0.3
517.16962	3.7
521.21790	1.0
535.18115	2.1
709.24780	1.0
787.50439	0.3
859.15454	0.5
859.31036	2.1
871.31512	7.7
889.32751	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	927.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55146	0.2
70.06605	0.4
71.06197	0.4
84.08126	0.2
85.02904	0.4
91.05477	0.7
94.92452	0.2
97.02898	0.3
114.46964	0.2
117.03364	0.2
121.06499	2.0
137.05959	0.5
142.70566	0.2
143.04683	0.9
147.04388	0.3
152.99577	0.2
177.05524	0.4
188.38531	0.2
305.06253	0.3
315.08514	0.6
323.07474	1.2
337.08908	0.7
355.10168	0.6
378.09540	0.2
426.37720	0.2
443.13156	10.1
475.15771	100.0
476.16205	1.3
624.32043	0.2
705.19678	0.5
927.40002	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.5
68.05019	0.6
69.03430	3.2
70.02948	0.6
70.06565	0.7
71.04996	6.2
71.57176	0.5
73.59750	0.3
74.00672	1.8
76.02259	0.3
76.03999	1.0
79.05489	0.6
81.03414	1.4
83.04989	0.7
83.06106	2.8
84.04510	23.4
85.02412	0.7
85.02904	8.9
86.06051	0.6
87.04472	5.7
89.03917	4.0
91.05466	0.6
95.04982	2.5
96.04514	0.4
97.02899	9.1
98.06039	1.0
99.02680	0.6
99.04453	0.8
99.05574	0.9
101.02360	0.5
107.04963	1.9
109.02908	1.9
110.06039	1.2
111.02688	0.5
111.04437	2.1
112.03971	21.7
112.07612	0.8
114.05502	0.4
117.03394	4.7
121.01106	0.7
121.06477	0.8
123.04401	0.8
126.05496	2.0
127.02153	4.9
127.03912	1.1
128.03436	0.7
129.05573	0.9
129.06602	8.3
130.05008	100.0
131.04945	1.1
134.06058	0.5
135.04430	10.2
135.84323	0.4
136.07547	0.4
137.05981	0.4
139.02095	0.9
139.21237	0.3
142.05019	1.0
144.04413	0.5
145.02849	10.0
145.03990	0.7
145.06062	2.3
146.05988	2.5
147.02641	13.5
147.04427	0.6
147.07603	0.5
147.73064	0.4
148.07594	1.2
149.00555	4.1
150.09200	0.4
151.02136	0.7
151.03888	1.4
152.04672	5.4
153.06625	0.9
155.01617	19.4
159.18971	0.3
160.00699	0.6
160.05148	0.5
162.05602	0.8
163.03911	76.4
164.04359	0.7
164.07098	0.4
165.03711	1.4
167.01637	8.8
168.02403	4.2
169.03195	1.1
171.07602	0.6
172.06006	0.5
175.02132	14.3
176.07034	2.0
177.03412	1.2
178.08638	6.6
181.03447	0.6
181.04959	1.4
181.06267	0.8
185.02678	15.0
193.03195	82.1
194.03560	0.7
194.08171	1.0
195.07695	0.5
197.02617	0.5
199.07149	0.6
203.01691	1.0
204.06572	1.0
208.06050	1.1
209.02684	0.5
210.05795	0.7
211.04253	15.9
211.07335	1.0
221.02631	1.9
222.07582	7.2
222.09604	0.6
228.06918	4.1
238.05197	1.7
238.07353	0.4
239.03638	0.4
240.08698	0.9
243.04433	0.6
256.09277	0.4
257.07568	0.4
258.09735	1.4
262.10880	0.8
264.12210	1.8
268.06390	0.5
290.10187	1.1
294.07968	2.5
296.05878	15.8
304.06400	1.0
307.08167	1.3
308.11292	23.5
314.06924	11.0
314.10684	0.5
322.07465	2.0
325.09192	15.6
331.09592	56.4
332.10010	0.8
338.06863	0.7
366.06479	2.4
373.10596	0.9
379.09610	0.9
385.10687	10.2
397.10739	4.0
423.08359	1.8
427.11987	0.7
441.09586	11.6
442.13086	0.6
443.11081	0.8
455.52628	0.4
460.13870	79.2
461.14117	1.1
470.12225	0.4
475.64859	0.4
477.13351	1.2
493.14807	0.4
495.14334	0.4
502.14944	3.1
538.15118	0.6
552.16473	5.1
588.18225	1.6
597.59454	0.4
606.19299	1.6
622.18518	1.2
630.16345	0.7
655.18231	2.7
709.18988	0.9
784.22339	22.4
785.21741	0.7
809.38721	0.4
876.24927	0.5
930.27722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62466	0.6
67.05504	2.8
69.03433	44.3
69.07075	2.9
69.70910	1.7
69.71317	2.2
70.06593	1.0
71.01369	3.7
71.04988	2.1
73.02922	54.2
79.05499	2.4
81.03419	8.1
81.07069	8.2
83.01390	0.8
83.05029	1.1
83.08640	1.8
85.02911	100.0
87.04479	3.1
91.03958	3.9
91.05499	2.7
93.07043	5.9
95.05015	0.9
95.08615	15.4
97.02901	76.4
97.10180	1.2
99.04469	5.2
100.33279	0.7
101.02400	1.0
103.03944	2.4
105.07024	5.7
107.08594	8.4
109.02901	8.4
109.10166	10.0
115.03938	50.8
117.05502	0.6
119.04954	0.7
119.08592	11.8
121.06548	1.6
121.10150	8.5
123.11728	4.9
125.02369	0.7
127.03928	35.1
131.08594	1.1
133.04977	11.9
133.10133	7.1
135.04492	0.9
135.11717	5.6
137.05983	1.2
137.13248	3.6
139.03954	0.9
145.04970	51.2
145.10114	3.0
147.11685	5.6
149.13271	4.3
150.07608	0.7
159.11734	2.3
161.13307	3.6
163.03970	1.6
163.04613	1.0
163.06032	17.7
163.14815	4.5
169.04951	0.9
173.13316	1.8
175.14833	4.1
177.05566	1.3
177.16420	3.0
179.14244	1.2
187.14861	2.3
189.16397	9.5
191.17967	13.4
191.19559	1.1
193.05035	2.7
199.06073	0.9
199.14812	1.0
201.16481	3.0
203.17963	15.9
205.19595	2.0
207.17548	1.6
211.06093	1.2
213.16438	1.8
215.17923	5.7
217.07144	1.9
217.15906	0.6
217.19550	2.1
221.19116	1.3
222.07701	0.8
222.81009	0.8
223.06049	8.2
229.07184	1.2
229.19621	1.4
231.17502	0.9
231.21140	1.8
235.16991	1.6
241.07079	11.6
249.18553	3.6
259.08148	14.2
259.17026	3.8
261.18494	4.0
271.08255	1.0
277.09332	1.8
287.20163	1.2
289.09283	2.6
295.10263	27.4
325.11301	13.4
325.14951	1.1
393.35284	5.9
409.34558	1.7
411.36240	15.8
427.35886	1.5
439.35745	28.2
456.17316	0.8
457.36816	38.4
474.18082	1.1
748.10419	1.1
883.30371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.1
67.05508	29.2
69.03415	1.9
69.06729	0.8
69.07071	10.6
71.04985	1.0
71.08635	16.9
71.23143	0.4
71.40822	0.7
73.02927	2.6
79.05497	17.4
81.03409	0.7
81.07059	38.2
83.04961	0.8
83.08614	8.9
85.02434	1.0
85.02909	13.4
85.06524	0.9
85.10184	10.3
88.58826	0.5
89.06039	0.7
91.03963	9.6
91.05484	8.8
93.07048	23.0
95.04969	1.2
95.08611	34.5
96.04484	1.0
96.67093	0.4
97.02898	7.3
97.06505	1.1
97.10178	4.6
99.04478	0.5
99.08067	1.2
99.11722	0.8
103.07587	1.1
105.04414	0.4
105.07037	7.3
107.08598	14.2
109.02871	0.6
109.06548	0.5
109.10164	17.8
111.08055	0.8
111.11715	1.0
117.07017	2.8
119.08591	6.4
121.09310	0.8
121.10147	13.6
123.11713	7.3
127.03928	4.2
127.11230	0.5
131.08578	6.2
133.09245	0.7
133.10141	5.4
135.11700	10.2
137.13269	2.6
145.04974	5.6
145.10121	4.7
147.11702	4.0
149.13268	6.3
151.14793	0.7
159.11700	5.0
161.13234	3.3
163.06050	6.4
163.14816	4.1
173.13272	4.5
175.14784	1.4
177.16379	1.6
187.14835	2.5
201.16338	1.1
205.15970	0.7
219.17285	0.6
233.22629	1.6
239.23743	2.6
243.21146	9.0
257.24756	1.9
261.22165	37.8
279.23157	1.1
313.27377	100.0
314.27661	2.0
317.24753	6.3
331.28482	0.5
333.24057	0.8
335.25818	82.3
336.26248	1.1
396.21411	0.6
499.45102	1.4
573.48828	43.3
574.49115	1.2
591.49884	11.2
611.13068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.9
67.05508	11.9
69.03432	8.7
69.07074	5.3
71.01347	1.0
71.04992	1.2
71.08636	2.3
73.02923	7.7
74.02615	0.3
79.05495	8.7
81.03416	3.4
81.07063	13.0
83.04981	1.2
83.08611	3.9
85.02906	17.0
85.06560	0.6
85.10192	1.2
87.04460	0.6
91.03956	10.1
91.05488	7.4
93.07047	10.9
95.04984	1.5
95.08611	12.5
97.02894	14.1
97.06522	1.6
97.10181	2.0
99.04457	1.8
99.08104	0.6
101.02364	2.1
103.05511	0.4
105.04512	0.6
105.07035	7.4
107.04944	0.6
107.08600	6.2
109.02875	1.6
109.06533	1.1
109.10168	5.5
111.04385	0.4
111.08093	0.6
113.09686	0.3
113.50436	0.4
115.03959	0.9
115.05452	0.7
117.07021	5.0
119.08591	7.4
121.03983	0.3
121.06503	0.5
121.10153	4.7
123.08069	0.8
123.11735	1.7
125.09660	0.4
127.03934	4.5
128.06232	1.5
129.07008	5.3
130.07791	0.4
131.08572	6.7
133.10138	6.4
135.08051	0.6
135.11708	3.0
137.09729	0.5
137.13297	0.5
139.11252	0.5
141.07005	2.6
142.07799	1.1
143.08559	6.5
145.04958	2.6
145.10123	7.5
145.11267	0.4
147.08095	0.4
147.11696	3.0
149.09657	0.5
149.13269	1.4
151.14886	0.4
153.07036	0.9
154.07777	0.8
155.08566	7.0
156.09367	1.0
157.10126	7.7
157.11299	0.6
159.11690	4.4
161.13287	1.4
163.05991	1.6
163.14812	0.8
165.06981	0.6
166.07771	0.4
167.08548	3.4
168.09329	0.7
169.10146	9.0
170.10857	0.4
171.11702	6.0
172.12495	0.4
173.13275	3.5
175.14880	1.6
179.08580	1.7
180.09303	0.5
181.10146	5.1
183.11707	7.0
184.12465	0.4
185.13261	4.4
187.11240	0.5
187.14854	2.2
189.16400	0.8
191.08626	0.4
193.10149	1.9
194.10927	0.5
195.11699	4.7
196.12471	0.5
197.13268	6.6
199.13231	0.5
199.14842	3.8
201.16425	1.4
203.18089	0.4
205.10172	0.9
207.11700	1.7
209.13246	4.6
210.13968	0.5
211.14818	4.3
212.15491	0.4
213.16458	2.4
215.18044	0.6
219.11748	0.9
221.13257	1.9
222.14400	0.4
223.14862	3.3
225.16389	2.8
227.18077	2.0
229.19524	0.4
229.62408	0.3
233.13342	0.6
235.14920	2.0
237.16432	2.5
239.17992	1.8
241.19691	0.6
247.14925	0.6
249.16345	1.0
251.18005	1.4
253.19603	0.9
255.21231	0.4
261.16501	0.9
261.22214	1.1
263.18011	0.7
265.19592	1.0
267.21207	0.7
275.17792	0.4
277.19601	0.4
279.20914	0.5
281.19104	0.4
281.22772	0.5
285.22208	0.6
291.21317	0.5
291.99133	0.4
293.22662	0.6
307.20630	0.5
309.22119	0.4
311.23752	0.7
313.21878	0.5
313.27396	10.5
314.27762	1.1
321.22086	0.7
323.23792	0.7
325.21765	0.6
327.23242	0.4
335.26038	1.6
336.26062	0.8
337.25015	0.6
339.23322	0.5
349.25238	1.0
351.26886	0.8
363.26840	0.7
365.28760	0.5
375.26556	0.4
381.27463	0.4
389.28717	0.5
393.27524	0.5
407.29416	0.5
447.32666	0.8
449.34183	0.4
473.33344	0.5
487.34164	0.4
499.39877	0.8
507.34583	0.5
513.35730	0.5
515.38074	0.7
517.40491	3.8
521.36188	0.4
525.35901	0.8
527.37463	0.6
535.41290	1.3
539.37085	1.5
541.38965	1.1
553.39685	0.7
574.49377	1.1
591.44177	5.1
607.43701	2.6
609.45148	100.0
610.45538	2.2
611.46393	1.3
621.45215	2.3
633.45148	1.2
643.43347	0.5
651.46204	1.5
663.45874	0.5
675.45648	0.6
693.46399	0.5
699.45892	1.4
717.47003	1.6
735.48303	2.6
753.49249	3.2
771.50446	29.2
772.51013	0.9
915.55670	0.5
933.55627	8.4
934.55865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.8
69.03435	3.2
69.85188	0.5
69.85593	1.4
71.04988	0.6
71.08639	1.1
73.02914	3.5
79.05498	1.4
81.03430	0.7
81.07067	2.6
83.08619	0.7
85.02908	5.3
85.10185	0.7
91.03955	3.3
91.05508	0.6
93.07056	1.7
93.45035	0.3
95.08620	2.0
97.02910	4.7
99.04464	0.6
101.02380	1.7
103.04066	0.4
105.07036	0.4
107.08594	0.5
109.10165	1.0
115.03967	0.5
123.11746	0.4
127.03958	1.5
130.52824	0.3
131.08598	0.5
135.11752	0.6
137.69104	0.3
145.04970	0.5
160.18279	0.4
185.04248	0.7
203.05254	0.5
236.07440	0.4
243.08429	1.6
313.27335	0.8
335.26093	0.5
347.09567	2.9
363.09280	0.5
365.10699	1.1
405.13699	5.9
497.31055	3.8
519.29218	5.3
659.36206	4.7
681.34656	5.6
775.54004	1.1
937.58655	100.0
938.59344	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	937.5864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.5
69.03430	3.1
69.07084	0.6
69.31642	0.3
69.73750	1.8
71.01363	0.6
71.04999	0.5
71.08640	0.6
73.02919	2.9
79.05496	1.4
81.03424	1.3
81.07063	2.0
83.08643	0.7
85.02905	5.3
85.03368	0.5
85.10219	0.5
87.04488	0.3
89.77032	0.3
91.03949	3.4
91.05497	0.7
93.07043	1.7
95.08593	2.2
97.02891	5.0
99.04456	0.8
101.02380	1.9
103.04002	0.4
105.07063	0.6
107.08585	0.8
109.02919	0.5
109.10178	0.8
115.03959	0.7
121.10154	0.5
123.11701	0.4
127.03944	1.5
145.04982	0.4
172.75052	0.3
185.04330	0.9
189.29721	0.3
203.05354	0.4
243.08351	1.7
285.16135	0.3
347.09558	2.8
363.09045	0.4
365.10748	1.1
405.13690	5.2
405.35156	0.3
497.30978	3.9
519.29303	6.5
659.36066	3.6
681.34613	6.5
775.53430	1.1
834.53192	0.3
919.81989	0.3
937.58582	100.0
938.58112	2.4
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
67.05514	1.3
69.03436	2.3
71.01339	0.4
71.08638	0.9
73.02923	3.2
77.29242	0.3
79.05505	1.1
81.03439	1.3
81.07070	1.6
83.05000	0.4
85.02908	4.7
85.10222	0.5
91.03957	3.0
91.05482	0.8
93.07066	1.3
95.08620	1.6
97.02889	5.5
98.20990	0.5
99.04449	0.5
101.02396	0.9
103.03966	0.4
107.03007	0.3
107.08602	0.8
109.02923	0.7
109.10150	0.5
114.51623	0.4
119.08623	0.7
121.10107	0.5
127.03964	1.6
185.04294	0.9
203.05264	0.4
214.90343	0.4
216.87668	0.4
243.08553	1.4
267.00967	0.3
280.22324	0.4
297.96252	0.5
301.27066	0.4
347.09467	2.5
363.09482	0.5
365.10477	0.7
405.13687	4.9
497.30759	3.6
519.29248	4.8
659.36176	3.0
681.34491	5.6
775.53851	1.7
937.58673	100.0
938.59363	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.2
69.03436	3.2
69.07099	0.4
69.93784	0.3
71.04991	0.6
71.08634	0.7
71.58183	0.5
73.02927	3.6
79.05508	1.3
81.03433	1.1
81.07062	2.3
83.04966	0.5
83.08619	0.7
85.02904	5.3
85.10202	0.6
87.04477	0.6
91.03965	3.4
91.05484	0.7
93.07061	1.3
95.08611	2.0
97.02905	4.5
99.04488	0.7
101.02380	1.6
107.08627	0.8
109.02910	0.5
109.10168	0.6
115.03974	0.4
117.07063	0.4
121.10166	0.8
123.11729	0.3
127.03941	1.9
135.11705	0.3
145.04970	0.4
153.10051	0.3
185.04283	1.1
202.72481	0.4
203.05406	0.9
243.08363	1.6
261.64978	0.3
278.99551	0.3
335.26044	0.4
347.09515	1.8
363.09216	0.5
365.10837	1.0
405.13751	6.5
405.18524	0.5
497.31003	3.6
519.29297	5.1
546.34418	0.4
659.36353	3.5
678.38184	0.4
681.34778	6.5
775.53094	1.8
937.58618	100.0
938.58356	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	938.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.2
66.04723	0.2
67.05499	0.7
67.45596	0.1
69.03435	0.6
70.06597	0.3
71.01363	0.2
71.05002	0.3
71.58788	0.2
73.02905	0.1
75.04475	0.1
77.03904	0.2
79.05494	0.9
81.03414	0.7
81.07041	0.4
85.02895	0.5
86.09700	0.2
89.03902	0.1
91.05489	0.9
93.07035	0.1
93.09444	0.1
94.04175	0.4
95.04972	11.3
97.02898	1.1
99.04454	0.3
103.05493	0.2
104.10745	0.2
105.03396	0.7
105.04520	0.3
105.06995	0.3
106.04148	0.2
107.04954	0.3
109.02910	0.5
109.06515	0.9
109.82512	0.1
115.05494	0.2
116.06985	0.1
117.03365	0.1
119.04942	0.7
121.02885	0.2
121.06522	0.4
122.03638	0.4
123.04436	4.2
125.02396	0.1
127.03905	0.4
129.07008	0.2
131.05008	0.1
133.02858	0.8
135.04419	0.5
136.05193	0.3
137.05981	4.3
138.06328	0.1
139.03900	0.2
143.04915	0.3
145.02840	0.3
145.04976	0.2
147.04410	0.4
149.02299	0.2
149.06020	0.1
151.03906	26.5
151.07501	2.0
152.04221	0.2
153.05469	0.2
157.06459	0.3
160.05180	0.3
161.05969	0.1
163.03865	0.3
163.07544	0.2
165.05476	100.0
166.05797	0.6
167.06990	0.6
169.05017	0.2
174.06816	0.6
175.03976	0.6
175.07555	1.2
177.05478	0.5
177.09180	0.1
179.07088	0.2
181.05017	0.2
183.06557	0.9
187.07547	0.7
188.08340	0.2
189.09119	1.4
193.04984	2.6
201.05539	0.2
201.09111	1.0
203.10672	0.4
205.08650	0.1
207.06529	3.5
211.05972	0.9
213.05403	0.1
217.05011	0.1
217.08652	0.2
219.10234	0.2
223.05905	0.1
225.07584	9.6
235.09622	0.3
249.11174	0.2
261.09027	0.1
262.09995	0.2
263.10919	0.1
269.08008	0.1
271.06024	0.3
273.07541	0.1
277.06934	0.3
284.06088	0.1
284.10443	0.2
285.11172	0.3
291.08536	0.2
295.08148	3.4
301.07126	0.2
305.11731	0.1
306.12564	0.3
309.09738	0.4
310.11896	0.2
311.07663	0.8
319.08130	0.4
323.13080	0.1
325.14359	0.2
327.10822	0.2
333.10025	0.2
335.12744	0.2
337.09329	0.9
337.14206	0.8
339.15851	0.2
351.10703	0.9
353.13867	0.1
355.10361	0.5
355.15381	1.6
369.11804	4.4
371.14893	2.2
537.22400	0.1
741.27704	0.5
742.25427	0.1
801.87238	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	954.6155
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	60.0
67.75272	0.6
69.03423	2.6
69.06718	1.1
69.07067	14.8
71.04984	2.4
71.08612	0.7
71.58007	0.8
73.02923	4.3
77.03911	0.7
79.05495	40.2
81.03407	1.4
81.07059	62.4
83.04977	1.5
83.08623	7.9
85.02908	17.9
85.06538	1.7
91.03965	11.2
91.05483	27.0
93.07046	49.5
95.04980	4.2
95.08609	55.1
96.04501	1.0
97.02892	10.2
97.06515	2.7
97.10168	4.8
98.20999	0.8
99.04459	0.9
99.08076	1.6
105.04511	1.5
105.07036	24.2
107.08601	27.3
109.06521	1.6
109.10158	23.6
111.08115	1.2
111.11732	1.4
115.03886	0.7
115.05438	0.8
117.07019	7.5
119.08581	19.6
121.10146	23.0
121.11040	1.1
123.08093	1.2
123.11716	7.9
125.09637	0.9
127.03904	4.1
129.07001	1.9
131.07100	0.7
131.08582	14.7
133.09120	0.8
133.10135	16.2
133.11089	1.4
135.11699	14.7
137.09605	1.4
137.13228	2.5
139.11258	0.7
143.08589	2.5
145.04968	5.8
145.10123	12.1
147.11685	10.6
149.13280	10.4
151.14833	1.5
157.10135	2.5
159.11702	9.4
161.13261	9.3
163.06032	7.2
163.14816	4.2
171.11694	3.1
173.13261	8.3
175.14822	4.2
177.12769	0.8
177.16376	1.8
183.11671	1.2
185.13266	1.7
187.14813	5.0
189.16403	1.6
197.13194	0.8
198.08264	0.7
199.14827	2.7
201.16367	2.1
203.17961	1.1
205.15982	0.7
213.16386	0.7
215.17957	1.3
217.19435	0.8
231.21078	0.8
239.18065	0.7
241.19684	3.8
243.21054	5.9
245.22563	0.9
257.18912	0.7
259.20590	9.4
261.22159	20.6
263.23743	2.1
279.23132	1.1
287.23795	0.6
289.21802	0.6
315.23331	1.1
317.24796	4.4
333.24243	8.7
335.25812	100.0
336.26334	1.0
337.27356	13.0
353.27316	0.7
410.05566	0.7
489.35992	0.7
503.36563	1.2
503.42844	0.8
521.43646	3.4
529.38849	0.8
539.44653	1.8
543.40143	0.9
595.47260	18.8
613.48273	27.8
635.32147	0.7
724.90924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	94.1
68.05820	0.9
69.03423	4.0
69.07070	30.7
70.92525	1.4
70.92868	1.7
71.04981	3.4
71.08616	3.5
73.02911	6.9
79.05497	47.1
81.03408	1.5
81.07061	100.0
83.04980	2.9
83.08624	20.8
85.02905	28.2
85.06547	2.0
85.10148	1.3
87.04498	1.0
91.03957	16.8
91.05480	31.8
93.07047	55.9
95.04967	4.0
95.08611	79.0
97.02902	14.6
97.06554	5.7
97.10169	9.1
99.04463	1.2
99.08085	3.4
105.04530	1.4
105.07034	25.4
107.08601	34.7
109.06496	1.7
109.10166	33.6
111.08080	3.3
111.11716	3.1
112.86208	1.0
117.07026	7.4
119.08583	22.6
121.10155	27.8
123.08017	2.0
123.11718	11.8
125.09628	1.8
127.03926	5.0
129.07063	1.4
131.08572	11.1
133.10136	17.9
135.10696	1.1
135.11703	17.5
137.09663	1.0
137.13252	4.1
139.11172	1.9
143.08568	2.4
144.06517	0.9
145.04984	10.3
145.10132	11.5
147.11697	13.6
149.09596	1.1
149.13263	13.5
151.11211	1.5
151.14819	2.3
153.12776	1.1
157.10153	2.0
159.11694	8.2
161.13263	9.8
163.06032	13.3
163.11256	1.3
163.14833	7.1
165.16422	2.1
171.11673	1.5
173.13281	7.7
175.14816	6.7
177.16380	2.7
179.14368	1.3
185.13264	2.0
187.14821	3.8
189.16287	1.2
199.14940	1.6
201.16400	2.7
203.17900	1.0
215.73378	0.9
233.22589	2.3
241.19635	1.7
243.21103	9.9
245.22694	3.5
259.20554	6.5
261.22165	26.6
263.23779	5.8
271.30811	0.9
273.22083	1.5
301.25067	1.1
317.24728	4.3
333.24261	5.1
335.25806	89.8
336.26062	1.4
337.27383	95.1
339.29050	7.7
482.45932	1.1
503.36874	1.4
505.44470	1.5
523.45020	5.7
531.40295	1.6
541.45691	2.1
545.42188	1.6
597.48779	42.6
615.49847	68.9
616.49719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.3
69.03434	2.7
69.07078	0.6
69.60696	0.4
71.01370	0.7
71.05009	0.5
71.57938	0.7
73.02924	3.3
79.05502	1.9
81.03432	1.2
81.07078	1.8
83.08635	0.4
85.02901	5.2
91.03956	2.7
91.05499	1.0
93.07009	2.5
95.08623	2.0
97.02888	4.7
99.04469	0.8
100.95741	0.5
101.02406	1.5
107.08644	1.2
109.02902	0.7
109.10184	0.9
119.08617	0.9
121.10174	1.1
121.46107	0.5
127.03950	1.3
131.08688	0.4
135.17665	0.4
136.78197	0.4
144.60934	0.4
145.05011	0.5
185.04301	1.2
203.05305	0.8
243.08397	2.6
265.25946	0.4
347.09436	2.5
365.10797	0.9
405.13779	4.9
519.29315	7.2
519.36188	0.7
675.14844	0.5
681.34631	8.6
770.80743	0.5
797.51709	0.5
959.57025	100.0
960.57141	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	970.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	3.5
69.07068	17.5
71.04976	3.2
71.07048	1.7
73.02914	6.4
79.05495	71.7
81.03417	3.4
81.07060	76.0
83.04971	3.7
83.08616	10.7
85.02439	1.3
85.02909	18.8
85.06540	2.6
87.04456	1.9
91.03965	14.5
91.04897	1.6
91.05481	62.8
93.07046	82.6
95.04987	8.2
95.08610	60.2
97.02889	11.8
97.06524	4.2
97.10152	4.8
99.04436	1.6
99.08083	1.8
103.05444	1.6
105.04527	2.2
105.07034	60.1
107.04969	1.5
107.08598	42.5
109.06499	4.0
109.10157	22.0
111.08076	3.7
115.05438	1.7
117.07030	21.6
119.08589	51.6
121.09306	2.5
121.10146	37.4
123.08062	2.5
123.11728	6.9
125.09630	1.9
127.03930	4.4
128.06261	2.0
129.05470	1.7
129.07005	13.4
130.07811	1.9
131.08583	29.5
133.09117	2.1
133.10136	43.2
133.22707	1.4
135.08054	1.4
135.11694	24.0
136.75856	1.3
137.09615	2.2
137.13225	1.9
137.62665	1.2
141.06981	1.9
142.07799	1.7
143.08543	11.7
144.09320	1.4
145.04987	6.5
145.10126	22.5
147.11694	36.1
149.13268	14.3
155.08542	4.2
155.45239	1.4
157.10150	11.3
159.11708	25.8
161.11977	1.7
161.13268	25.1
163.06033	7.8
163.07224	1.3
163.11221	2.8
163.14828	6.2
165.12617	1.4
169.10114	3.8
171.11674	16.1
173.13277	16.7
175.14828	9.8
177.12663	1.8
177.16493	2.0
179.08730	1.6
181.10141	1.9
183.11707	3.9
185.13264	10.6
187.14886	7.0
189.16362	1.6
195.11691	1.8
197.13300	3.3
199.14844	5.8
201.16475	2.3
209.13345	1.4
213.16422	4.7
215.17862	2.0
217.15950	1.6
225.50023	1.2
229.19473	2.3
231.21118	5.9
237.16336	2.0
239.17944	2.5
241.19502	21.4
243.21031	3.2
257.19009	9.3
259.20593	54.3
261.22134	10.6
271.20547	1.9
277.21695	2.6
285.22104	2.0
297.21927	1.6
315.23206	4.6
331.22540	4.5
333.24252	50.2
335.25800	88.0
336.25909	1.7
337.27420	5.8
351.25803	1.6
367.22760	1.8
367.29840	1.8
380.10233	1.5
385.23218	2.6
409.30811	1.4
519.41699	4.5
527.37463	2.1
537.43024	3.3
541.38477	1.7
593.45709	17.2
611.46722	100.0
612.46295	2.2
677.47089	1.5
689.47833	1.7
701.46857	4.5
719.48291	3.3
737.49329	5.8
755.50238	5.3
970.56610	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	2.5
69.07078	0.4
71.01382	0.4
71.05014	0.4
71.38870	0.3
73.02918	2.6
79.05502	2.2
81.03429	1.2
81.07066	2.1
85.02912	4.1
91.03950	2.8
91.05476	1.4
93.07044	2.4
95.04992	0.3
95.08606	1.5
97.02902	4.7
97.06518	0.3
99.04487	0.7
101.02392	1.4
105.07032	1.4
107.08636	0.9
109.02882	0.5
109.10178	0.6
115.03967	0.3
117.06973	0.4
119.08624	0.6
121.10184	0.8
127.03892	1.6
131.08597	0.5
133.10156	0.5
135.11696	0.5
145.10101	0.4
147.11740	0.7
185.04308	0.7
201.03781	0.6
203.05336	1.0
222.58868	0.4
243.08502	1.5
282.27737	0.4
301.08850	0.5
315.10822	0.3
335.25800	0.6
341.68796	0.4
347.09500	3.3
363.00888	0.3
363.09186	1.0
365.10745	1.2
405.08521	0.2
405.13647	5.5
405.18494	0.4
412.59442	0.3
463.14615	0.4
477.16153	0.5
519.29236	4.2
535.28876	2.9
681.34698	7.3
697.33984	3.1
753.36658	0.4
813.51709	0.9
975.56531	100.0
976.56952	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	980.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	0.4
70.06558	0.6
71.04996	2.2
71.58083	0.3
79.05453	0.3
81.03388	0.2
83.04942	0.3
84.08094	0.4
85.02915	2.9
86.09669	0.3
89.03870	1.0
91.05498	1.5
93.06989	0.8
95.04937	0.4
97.02830	0.8
103.05415	1.0
105.04427	0.3
107.04958	1.4
107.08597	0.2
109.06482	0.3
111.04438	0.2
111.77661	0.2
112.11242	0.3
117.03332	0.9
119.04884	0.6
121.06511	4.1
129.05415	0.6
135.04430	2.0
137.06003	1.1
145.02815	1.2
147.04323	0.5
147.70709	0.2
150.05501	0.2
163.03917	9.8
164.07082	4.2
166.08603	0.3
222.09102	0.4
224.10721	0.3
226.08704	0.4
238.08621	0.9
240.10190	1.0
250.08621	0.7
252.06329	0.3
252.10178	1.3
253.11127	0.3
254.08180	0.6
254.11760	1.1
255.08990	0.3
255.12418	0.3
256.09650	0.5
264.06491	0.4
265.07263	0.8
266.07913	0.4
268.09708	0.8
269.10440	0.8
270.07657	0.7
270.11230	1.1
271.08694	0.3
272.12845	0.7
280.09662	1.8
282.07623	1.1
282.11252	3.4
283.12067	1.2
284.09164	5.3
284.12769	2.1
285.10013	3.9
286.10645	0.6
287.07816	0.6
296.09198	8.0
297.09973	0.9
298.10748	18.7
299.11487	2.2
300.08621	2.0
300.12274	2.1
301.09479	0.3
312.12311	58.7
313.13077	6.8
314.10217	5.5
314.13876	6.9
315.14709	0.6
316.11807	6.0
325.09143	1.0
328.11810	0.4
330.13376	44.8
331.13971	0.7
332.11508	0.4
332.15039	1.9
344.11340	2.7
358.12863	30.7
359.13196	0.4
360.14413	4.3
372.14444	10.0
374.16452	0.5
388.13733	0.4
390.15448	0.6
436.17648	1.6
442.15140	0.4
444.16461	0.4
452.16467	0.3
458.18198	1.1
460.20117	0.6
474.17624	5.2
475.26923	0.9
476.19308	1.5
478.17056	3.3
492.19098	0.7
496.19647	0.3
510.21274	1.1
578.20581	0.5
606.23029	0.3
620.23407	3.5
622.19220	12.8
640.20325	5.0
654.21832	66.1
655.22296	1.6
656.23639	1.0
684.22400	0.4
696.22968	0.7
732.22986	0.4
750.24170	0.4
760.26221	1.7
768.24915	7.5
782.26965	0.3
800.27588	100.0
801.28027	2.3
802.26617	0.7
820.07587	0.3
821.82184	0.3
832.27484	0.4
834.29480	1.2
906.32062	2.5
938.34387	0.8
948.32782	0.7
980.35303	8.5
990.45197	0.3
998.78064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	0.3
70.06583	0.2
70.80447	0.4
71.05000	2.4
74.79209	0.2
79.05463	0.5
81.03404	0.2
83.04935	0.2
84.08131	0.3
85.02913	2.8
86.09677	0.4
89.03940	0.9
91.05474	1.2
93.07063	0.9
95.04930	0.5
97.02849	0.8
98.04573	0.2
103.05481	0.9
107.04961	1.1
111.04421	0.3
112.11328	0.2
117.03330	0.8
119.04888	0.6
121.05683	0.2
121.06509	4.6
122.45119	0.2
123.04409	0.3
129.05453	0.3
129.89365	0.2
135.04433	1.5
137.05989	1.4
145.02843	1.0
147.04324	0.3
150.05437	0.4
163.03928	8.4
164.04210	0.3
164.07083	5.5
164.12379	0.2
165.05540	0.2
166.08595	0.3
173.12900	0.2
178.08667	0.2
181.04930	0.4
194.08080	0.2
203.05461	0.3
208.07591	0.3
209.08200	0.2
210.09149	0.3
218.07909	0.4
222.09190	0.3
224.10744	0.3
225.07680	0.2
226.08693	0.4
237.07744	0.3
238.08597	0.8
239.09293	0.4
240.10216	1.1
241.10982	0.2
250.08664	0.6
252.10190	1.0
253.10976	0.5
254.08188	0.5
254.11795	1.0
255.08759	0.3
256.09650	0.7
264.06467	0.3
265.07370	0.7
268.09750	0.9
268.13477	0.4
269.10498	1.0
270.07645	0.8
270.11227	1.3
271.08560	0.4
272.09140	0.2
272.12881	0.4
280.09772	2.1
282.07642	1.1
282.11258	3.4
283.08820	0.2
283.12003	0.7
284.09177	4.5
284.12808	2.4
285.09943	3.2
285.12952	0.4
286.07410	0.3
286.10779	0.7
286.14252	0.3
287.07886	0.6
287.11252	0.3
290.09964	0.8
291.10406	0.3
296.09183	6.8
296.12506	0.4
297.10010	1.1
298.10703	18.0
299.11359	2.2
300.08658	1.5
300.12341	2.2
301.09445	0.5
301.12955	0.4
312.12320	54.0
313.13055	6.2
314.10223	4.7
314.13892	6.0
315.14554	0.5
316.11826	5.1
317.12268	0.3
325.09195	1.4
328.12076	0.4
330.13379	42.0
331.13812	0.4
332.14975	1.8
340.11746	0.3
342.13409	0.5
344.11295	2.0
344.14740	0.3
346.13077	0.3
358.12872	29.6
359.13293	0.3
360.14459	4.3
372.14435	9.1
374.12054	0.3
374.16116	0.6
388.13904	0.5
390.15576	0.6
400.14008	0.2
418.14761	0.3
436.17697	2.1
442.15054	0.4
444.16724	0.3
456.16580	0.7
458.18338	0.9
460.19571	0.9
462.17981	0.3
474.17667	4.3
476.19214	1.3
478.17136	3.2
492.18726	0.5
500.19022	0.8
501.19318	0.8
504.18738	0.5
510.21542	1.3
620.23352	3.3
622.19208	12.3
638.23590	0.4
640.20270	4.4
654.21857	64.2
655.22009	1.5
656.23663	0.8
684.23102	0.3
696.23145	0.5
726.24622	0.3
732.23444	0.2
750.24878	0.4
760.26239	1.2
768.24982	7.8
800.27631	100.0
801.27783	2.4
802.27930	0.7
832.27991	0.5
834.29779	1.4
906.32166	2.3
938.34332	1.0
948.33380	1.2
980.35376	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	986.605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	1.5
69.07074	9.3
70.06097	1.6
70.06450	3.5
71.05002	1.5
71.84586	0.8
73.02905	2.0
77.03932	1.2
79.05495	32.5
81.03423	3.1
81.07063	30.2
83.04996	2.0
83.08614	6.3
85.02908	8.3
85.06541	1.7
86.09709	1.1
86.56050	0.9
91.03960	5.0
91.05482	37.5
93.07045	33.7
95.04970	4.1
95.08607	27.9
97.02899	4.2
97.06538	2.4
97.10145	3.1
103.05460	1.4
105.04546	1.1
105.07036	35.9
107.04939	1.7
107.08605	18.5
109.06533	1.2
109.10153	10.9
115.05463	3.1
116.06244	1.1
117.07024	16.4
119.08579	24.0
121.06530	1.2
121.10136	12.8
123.08029	1.2
123.11712	3.2
125.09649	1.5
127.03882	2.2
128.06209	3.9
129.07007	13.8
130.07828	1.3
131.07591	1.3
131.08568	22.3
133.10141	16.6
135.08130	1.4
135.11719	8.6
141.07008	4.7
142.07779	3.8
143.08577	14.0
145.05002	1.8
145.10130	21.3
147.08022	1.8
147.11699	10.7
149.09651	1.3
149.13275	4.5
154.07722	1.0
155.08568	10.2
156.09332	1.8
157.10138	13.6
159.11700	15.5
161.09520	1.2
161.13293	4.7
163.06036	2.2
163.11081	1.2
163.14842	1.9
167.08528	4.6
168.09354	1.7
169.10138	9.8
171.11667	12.8
173.13232	7.9
175.14818	3.5
179.08568	2.2
179.46997	1.0
181.10109	6.5
182.10953	1.6
183.11723	10.4
184.07434	1.8
185.13220	9.6
187.14828	4.5
193.10182	2.6
195.11684	7.4
195.38016	1.2
197.13257	8.5
199.13235	1.1
199.14868	5.3
201.16389	1.4
207.11676	2.3
209.13211	5.3
211.14839	6.3
213.16446	3.0
215.18112	1.4
221.13281	2.0
223.14899	3.7
225.16371	3.4
227.17957	3.1
229.19615	1.1
235.14708	1.0
237.16380	3.6
239.17969	3.6
241.19749	1.5
251.17960	1.3
253.19618	1.1
257.19016	4.0
259.20544	4.9
261.22165	1.8
263.18015	1.6
271.20612	1.2
285.22064	0.9
291.21204	1.0
297.22006	1.1
311.23593	1.6
313.21835	1.0
315.23312	1.1
327.23196	1.5
333.24301	4.5
335.25809	3.3
337.25055	1.2
339.23270	1.4
351.26840	3.0
359.15015	1.0
365.28250	1.4
391.29709	1.2
409.31131	1.0
447.32632	1.8
459.31345	1.6
461.32986	1.2
487.34445	1.4
513.35406	1.3
515.37451	1.5
517.40540	10.7
525.36224	1.2
535.41602	5.1
539.37396	2.4
557.79224	1.0
573.43268	1.9
591.43970	9.4
609.45154	100.0
610.45465	3.6
621.44299	1.1
651.46100	1.5
693.46027	1.6
699.45288	1.6
717.46539	2.7
735.48010	2.6
753.49188	2.3
771.50067	8.0
980.33081	1.2
986.57080	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	0.8
70.06558	0.5
71.01323	0.6
71.04997	6.1
71.56363	0.5
73.02895	0.6
73.99110	0.4
75.04463	0.7
81.03399	0.4
83.04952	0.8
84.08094	0.5
85.02912	7.1
87.04425	0.5
89.03904	2.1
91.05488	2.9
93.07047	3.8
95.04932	1.2
97.02886	2.7
99.04410	0.5
103.05476	3.1
105.04456	0.5
107.04908	0.7
108.96457	0.4
111.04395	0.4
117.03388	2.7
121.06514	16.4
122.06780	0.6
129.05446	0.5
135.04411	4.7
145.02841	3.7
163.03914	28.5
165.05446	1.3
181.04823	0.7
186.05560	0.6
192.08141	0.4
193.08885	1.0
194.09576	0.9
206.09657	0.7
207.10455	0.5
208.11208	0.6
212.06964	1.3
220.07542	0.7
221.08356	0.8
225.07797	1.5
226.08626	0.7
227.09453	0.9
234.09143	0.8
237.07915	0.4
238.08659	8.6
239.09431	1.9
240.10126	1.0
248.07074	0.5
248.10699	0.9
249.07896	1.4
250.08656	3.9
251.09418	2.8
252.10217	9.0
253.07431	2.0
253.10899	1.3
254.08148	1.6
254.11789	2.4
255.08955	0.5
258.09235	0.6
262.08615	1.6
263.09387	1.5
264.07162	0.6
264.10208	10.4
265.07370	1.0
265.11014	1.6
266.08163	7.6
266.11761	18.0
267.08914	5.5
267.11987	0.8
268.09680	0.7
275.09372	1.0
276.10330	2.5
277.07642	0.5
277.10938	1.2
278.08145	4.6
278.11694	1.6
279.08914	2.1
280.09702	19.7
281.10449	1.8
282.07663	2.5
282.11255	3.2
284.09531	0.7
284.12790	1.7
290.08157	0.9
291.08926	1.7
292.09686	3.8
293.06912	0.8
293.10446	1.8
294.07703	2.0
294.11230	18.7
295.08389	3.9
295.11905	1.5
296.09378	1.8
296.12390	0.6
298.10773	0.5
302.08411	0.7
303.08774	0.5
304.09723	6.1
305.10391	0.9
306.07779	0.8
306.11240	1.9
307.08435	2.2
308.09094	1.9
308.12805	1.4
309.09930	6.6
310.10739	15.0
311.11429	0.4
312.12231	3.1
318.11148	0.8
320.09177	5.3
321.09982	1.2
322.10745	91.0
323.11472	4.8
324.08682	1.9
324.12323	1.2
325.09082	2.1
326.13879	0.7
334.10837	1.2
336.08444	0.6
336.12344	5.5
337.13177	0.6
338.10236	33.7
339.11032	1.5
340.11807	25.1
348.08771	1.6
349.09451	0.7
350.10294	2.5
352.11816	1.4
354.13437	3.4
362.10269	4.2
366.09720	4.5
368.11316	66.3
369.11642	0.8
380.11313	16.4
382.12888	12.2
396.14880	0.6
398.12265	2.2
408.10706	1.9
410.16339	0.8
422.12408	0.8
426.11652	0.5
438.15643	0.5
444.14365	2.1
452.13626	0.6
454.15024	1.7
458.15921	0.5
466.14996	4.1
468.16583	22.9
470.14618	0.7
472.16919	0.5
482.14572	1.1
484.16150	4.8
486.15427	0.5
500.15829	3.1
518.18152	8.6
542.16486	0.6
546.17578	1.4
600.20953	1.5
616.18854	0.4
630.21802	3.8
634.19696	1.2
646.19189	3.3
648.16309	0.5
662.18744	18.5
663.19476	9.9
664.20197	18.0
678.21759	3.9
689.64417	0.4
692.19690	5.0
704.19910	1.6
706.20770	0.6
722.20728	1.1
768.22986	1.6
774.24347	0.5
780.25006	0.8
792.24524	0.9
794.23370	0.6
808.24493	10.3
809.25262	100.0
810.25989	10.2
824.25287	2.0
840.24994	0.5
841.25873	1.2
842.26666	17.5
850.25092	1.2
914.28363	1.1
970.30573	0.5
988.32343	68.0
989.32465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.9
69.07076	0.5
70.83284	0.8
71.01366	0.6
71.05005	0.4
71.42896	0.2
72.38059	0.2
73.02924	2.4
74.44794	0.3
74.49789	0.2
77.03956	0.3
79.05486	1.9
81.03430	1.5
81.07062	2.3
85.02905	4.0
91.03965	2.1
91.05502	1.6
93.07049	2.1
95.08604	2.0
97.02895	3.9
98.21345	0.2
99.04493	0.4
101.02412	1.1
105.07065	1.0
107.08630	0.6
109.02928	0.4
109.10165	1.2
115.03942	0.5
117.07048	0.3
119.08614	0.6
121.10173	0.7
127.03970	1.1
131.08562	0.4
133.10144	0.6
135.08089	0.3
135.11700	0.5
145.05031	0.3
145.10143	0.5
170.96692	0.3
183.22214	0.3
185.04324	0.9
203.05353	0.7
243.08430	1.5
259.07901	0.3
300.64828	0.3
333.20303	2.1
335.25928	0.5
347.09430	2.1
363.08914	0.4
365.10846	0.7
389.23163	0.5
405.13690	5.8
405.18539	0.4
453.21057	0.3
519.29346	5.4
551.28455	2.9
661.44495	0.4
681.34546	5.5
713.33612	2.3
829.50708	1.1
991.56055	100.0
992.56390	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	993.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07381	1.8
71.57800	0.3
72.38692	0.2
81.07032	0.3
81.99492	0.2
85.27451	0.2
86.09705	26.2
88.44006	0.1
93.07037	0.3
94.44011	0.2
95.08595	0.2
98.98461	2.1
102.11263	0.1
104.10748	2.3
125.00005	17.9
146.48421	0.2
166.02644	0.2
184.07339	100.0
185.07678	0.4
258.11127	0.3
495.77829	0.2
500.31436	2.1
518.32446	23.9
519.32727	0.7
996.33508	0.2
1012.02081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.3
69.21654	0.8
70.06581	0.1
71.01342	0.2
71.05000	0.4
75.10764	0.1
77.03943	0.2
78.03452	0.1
79.05481	0.4
81.03407	0.3
83.04981	0.2
85.02905	0.8
89.03915	0.9
91.05485	2.7
92.05014	0.4
93.03406	0.1
93.07048	3.4
95.04966	1.5
96.04492	0.2
97.02891	1.1
98.21534	0.2
99.04488	0.1
103.04783	0.1
103.05469	2.6
103.06128	0.2
104.04983	0.6
104.62257	0.1
105.04528	0.3
105.05716	0.5
106.06529	0.2
107.04964	0.3
109.06526	0.2
110.03658	0.2
110.06049	0.2
111.04461	0.6
116.04988	0.1
117.03383	0.7
117.05770	0.2
118.06513	0.5
119.04941	0.1
120.04472	0.3
120.08058	0.2
121.06508	28.5
122.06042	1.8
122.06844	0.1
123.04433	0.9
125.05997	4.5
127.03856	0.1
129.05478	0.2
132.04466	0.2
134.06032	0.5
134.33968	0.1
135.04424	1.8
135.06746	0.1
137.04909	0.1
137.05983	1.2
139.03903	0.2
144.04445	2.1
145.02841	1.6
146.06013	2.3
147.04416	0.2
150.05510	11.3
151.03915	1.6
152.04749	0.4
153.05470	7.8
156.28239	0.1
159.08307	0.1
162.05559	0.7
163.03914	17.2
164.07066	100.0
164.70999	0.1
165.05495	1.9
165.07430	0.6
166.08641	0.2
167.07040	1.5
172.03940	1.0
176.07068	4.6
177.05580	0.1
178.08635	5.5
181.04979	0.3
182.08192	0.2
183.06538	10.2
184.07300	0.2
190.04959	0.9
204.06567	5.2
209.39784	0.1
222.07611	4.8
222.95534	0.1
224.09187	0.8
225.07726	0.1
254.07985	0.1
255.05331	0.1
256.09625	0.1
268.09671	0.1
269.06940	0.1
270.11252	13.7
271.11346	0.1
272.05777	0.1
282.07660	0.3
286.07123	0.3
296.09155	0.2
300.08609	0.3
302.13928	0.2
307.08179	0.1
310.12909	1.3
312.12387	0.4
314.10248	0.4
325.09195	4.2
328.11765	0.7
332.11270	0.9
342.13373	32.6
343.13638	0.4
344.14941	5.6
346.12827	2.1
346.16995	0.1
374.12280	0.6
395.30814	0.1
416.17090	0.3
452.16965	0.6
458.18243	0.1
475.12158	0.1
490.20563	0.4
494.18057	0.5
507.15021	0.7
508.18463	0.1
526.20642	0.2
544.71216	0.1
555.09039	0.1
594.38940	0.1
638.18665	0.8
656.19525	0.1
670.21356	0.6
671.37592	0.1
698.20654	0.2
776.25525	0.6
784.23413	0.1
797.41223	0.1
818.26459	1.1
850.28625	0.2
922.29675	0.3
964.33063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	5.6
71.61539	3.0
78.95883	3.6
82.18736	1.9
87.24195	2.0
89.02478	2.2
89.07790	1.8
101.02437	5.5
103.11963	2.1
113.02428	2.3
127.14664	2.1
152.99619	2.5
161.95181	2.0
177.18987	2.1
179.05473	2.5
195.13905	3.3
223.13512	3.1
245.70891	2.0
255.23117	3.0
275.20026	4.0
293.21194	100.0
294.21518	5.7
317.72363	2.3
321.99295	2.4
397.13364	20.6
415.14584	11.2
569.42334	2.3
673.34161	7.3
691.35260	17.7
967.56396	7.5
1003.54095	65.7
1004.53705	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	1004.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.4
79.24005	0.1
83.01395	0.1
85.02942	2.2
87.17694	0.1
88.40238	0.1
89.02435	0.2
89.03963	0.4
91.05524	0.2
93.67463	0.1
95.01391	0.7
96.95988	0.7
98.95598	0.2
101.02432	0.2
105.03461	0.2
106.04279	0.2
107.05032	1.0
108.02149	0.1
109.02944	0.3
113.02445	2.6
117.03464	1.0
119.05024	0.2
121.02952	0.2
123.04524	0.2
131.77925	0.1
132.02159	1.3
133.01878	0.1
133.02948	11.7
134.03752	3.9
135.04512	67.2
135.47148	0.1
136.04843	1.2
137.02423	0.2
160.01755	0.2
161.02426	22.8
162.02766	0.7
173.06041	0.2
175.04005	0.3
177.05597	0.2
179.03474	100.0
180.03813	2.3
193.05045	0.3
201.05461	0.2
203.03505	0.6
205.01318	0.2
217.05014	0.3
224.67154	0.1
233.04520	0.3
245.04564	0.6
248.07214	0.2
250.05043	0.3
251.05617	0.4
275.05994	0.1
276.06644	0.2
277.07486	0.1
288.33527	0.1
291.26483	0.1
305.07037	0.2
306.07706	0.2
308.09235	0.2
308.45435	0.1
309.06384	0.6
310.07022	0.2
323.07651	0.4
325.09305	0.3
333.06473	0.4
334.07141	0.5
348.08594	0.2
354.09732	0.2
469.12994	0.3
487.14529	15.1
488.14880	0.9
516.16418	0.4
794.22986	0.2
822.25366	0.5
824.23804	1.8
825.25818	0.2
836.24225	0.2
840.26489	0.2
842.29175	0.3
866.24951	3.1
867.25427	0.3
915.79370	0.2
1004.31934	1.8
1005.32111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.318
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	5.7
72.99294	0.2
73.02940	0.3
77.03925	0.2
82.35833	0.2
85.02943	5.2
85.03439	0.4
87.00858	0.4
89.02436	2.5
89.03954	0.6
93.03447	0.8
95.01383	2.7
95.05018	0.7
97.28902	0.2
98.20574	0.3
99.00885	0.5
101.02435	2.4
104.02686	0.3
105.03464	1.1
107.05032	0.3
108.64830	0.2
109.02895	0.2
111.00877	1.8
113.02435	11.5
115.01874	0.5
117.03447	1.5
119.03499	0.5
119.05028	1.4
121.02944	2.8
123.04511	2.2
125.02439	0.3
127.04025	0.5
132.02153	3.6
133.02937	43.7
134.03642	1.0
135.04509	17.2
136.04846	0.4
137.02383	0.2
137.06039	0.2
139.00359	2.0
143.03453	0.4
145.02936	0.3
147.04536	1.1
149.02440	2.2
153.05544	1.9
159.04401	0.2
160.01624	1.4
161.02422	100.0
162.02762	2.4
163.03986	0.2
165.01907	0.4
165.05453	0.2
173.02417	0.8
175.03966	0.9
178.02615	0.2
179.03482	4.2
179.06998	0.2
181.04974	0.3
191.03522	1.3
191.05154	0.2
193.04990	0.3
197.08124	0.2
203.03482	0.5
205.05034	0.4
221.04634	0.2
223.06061	0.3
229.18018	0.2
233.04492	0.4
297.09821	0.6
309.08911	0.4
315.10797	1.9
323.07755	0.5
327.59967	0.2
443.15646	0.7
461.16571	8.3
462.16785	0.4
477.14322	0.2
605.18811	1.6
623.19769	7.5
624.20367	0.8
635.19751	0.4
637.21436	0.3
649.18134	0.4
665.20776	4.8
666.21295	0.5
673.57825	0.2
685.23212	0.3
745.22546	3.3
746.22894	0.3
777.22614	2.0
778.22479	0.2
785.25098	0.4
797.23279	1.0
811.24438	1.2
815.23700	1.5
816.24823	0.2
829.26202	0.8
847.28162	4.7
848.28363	0.5
907.26080	0.4
977.29510	0.4
1009.31799	44.8
1010.32025	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	1009.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89117	0.6
71.01371	5.6
73.02933	0.4
85.02934	5.1
89.02431	2.3
93.03444	1.1
95.01370	4.0
95.04995	0.4
99.00898	0.4
99.66477	0.2
101.02426	3.1
105.03445	1.0
111.00846	1.6
113.02435	12.8
115.01958	0.3
117.03442	1.1
119.03509	0.6
119.05017	0.4
121.02942	4.2
123.04486	2.8
125.02386	0.4
132.02144	4.8
133.02939	50.2
134.03452	1.2
135.04509	18.9
136.04829	0.6
139.00333	1.9
143.03473	0.4
145.02982	0.3
147.04485	0.8
149.02408	3.6
149.04337	0.3
153.01926	0.3
153.05530	2.4
159.04420	0.3
160.01611	0.8
161.02422	100.0
161.98285	0.3
162.02782	3.5
173.02396	0.4
175.04016	0.6
179.03477	3.6
181.04947	0.3
191.03459	0.3
203.03445	0.6
233.04602	0.3
238.36560	0.3
281.01459	0.3
297.09708	0.9
315.10767	2.4
323.07831	0.4
354.78726	0.3
442.54691	0.3
443.15289	0.4
461.16620	8.7
462.16632	0.7
503.17688	0.7
583.20264	0.6
615.19177	1.0
623.19812	4.5
624.20447	0.5
665.20795	4.2
666.20862	0.6
685.23517	0.6
745.23193	5.2
746.23151	0.6
777.22571	4.0
778.22253	0.5
797.23315	0.4
815.23981	1.1
829.25830	0.6
847.27991	6.3
848.28345	0.8
907.27606	0.6
1009.31836	40.7
1010.32227	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	1009.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35082	0.5
70.35446	0.5
71.01375	5.5
72.57233	0.2
73.02930	0.4
83.01363	0.5
85.02937	6.1
87.00856	0.6
89.02434	2.5
89.03972	0.3
93.03464	0.5
95.01382	2.9
95.05004	1.4
101.02419	2.3
105.03458	0.9
107.05057	0.3
109.02894	0.4
111.00871	4.9
113.02438	12.8
114.02802	0.2
115.01887	0.6
117.03473	1.9
119.03500	0.5
121.02944	4.6
123.04501	2.9
125.02413	0.2
125.26302	0.3
127.04022	0.7
128.67195	0.2
132.02148	4.6
133.02940	46.6
134.03647	1.0
135.04512	17.9
136.04845	0.5
137.02400	0.3
138.99298	0.2
139.00366	4.2
143.03456	0.3
147.04478	0.4
149.02435	0.5
153.01906	0.4
153.05518	1.7
160.01604	1.0
161.02423	100.0
162.02753	3.1
173.02385	0.3
175.04031	1.2
179.03468	4.1
191.03542	0.3
193.05042	0.7
297.09579	0.5
315.10831	1.9
323.07468	0.3
443.15387	0.4
461.16586	7.8
462.16989	0.8
471.69550	0.2
605.18567	1.0
623.19672	5.9
624.20001	0.5
637.21228	0.5
649.17554	0.8
665.20789	1.8
666.21381	0.3
717.20947	0.3
745.22711	1.7
777.22809	1.3
815.24030	0.5
829.26617	0.4
847.28705	5.3
848.27917	0.5
868.95667	0.3
1009.31830	52.1
1010.32184	8.1
1010.49048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.318
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	5.7
72.99265	0.3
73.02940	0.5
77.03967	0.3
82.22500	0.4
83.01370	0.6
85.02941	5.4
87.00850	0.4
89.02443	3.0
89.03954	0.5
93.03429	0.5
95.01366	2.8
95.05030	0.5
98.20591	0.7
99.00907	0.5
101.02435	3.4
105.03436	1.2
109.02957	0.6
111.00861	1.5
113.02441	11.4
115.01875	0.6
117.03441	0.8
119.03509	0.8
119.05029	1.1
121.02950	2.7
123.04520	2.3
127.03993	0.7
132.02158	4.1
133.02943	42.2
134.03641	1.1
135.04510	19.1
136.04887	0.5
137.02441	0.5
139.00320	1.6
147.04504	1.0
149.02441	2.1
153.05547	1.3
159.04453	0.3
160.01625	0.9
161.02423	100.0
162.02774	2.7
165.01915	0.5
173.02431	0.6
175.03966	1.0
177.05563	0.3
179.03482	6.2
191.03519	0.8
191.05351	0.3
191.54768	0.3
193.05046	0.3
195.06683	0.3
203.03365	0.4
241.18752	0.3
251.05519	0.4
285.04230	0.5
291.08835	0.6
292.77423	0.3
297.09781	0.5
309.08728	0.4
315.10895	2.5
316.26550	0.3
323.07587	0.5
339.09943	0.5
361.12997	0.5
385.10684	0.5
399.23663	0.4
441.24606	0.8
443.15689	0.7
461.16541	8.1
499.37384	0.4
605.18573	1.4
623.19708	12.3
624.19946	1.3
665.20697	4.2
745.22955	2.6
746.22229	0.6
777.21808	1.8
785.24750	0.6
797.22797	0.7
801.25793	0.4
811.24182	0.9
815.24475	1.2
829.25800	0.5
847.28009	3.1
977.27612	0.6
1001.72449	0.4
1009.31781	39.3
1010.32123	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	1009.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	4.3
73.02947	0.3
83.01359	0.3
85.02937	4.7
87.00883	0.2
89.02440	1.6
89.03963	0.2
93.03431	0.3
95.01376	2.2
95.05012	0.3
98.20540	0.3
99.00886	0.4
101.02431	1.5
105.03456	0.6
109.02946	0.2
111.00891	0.4
113.02435	10.2
115.01911	0.4
117.03464	1.4
119.03500	0.5
119.05014	0.5
121.02940	1.0
123.04511	1.5
125.02370	0.2
131.03549	0.2
132.02147	2.9
133.02940	39.4
134.03644	0.8
135.04507	15.5
136.04823	0.5
139.00342	0.7
143.03470	0.2
145.02942	0.6
147.04495	0.5
149.02412	0.9
151.03995	0.3
153.05582	1.2
160.01677	0.5
161.02422	100.0
162.02763	3.3
163.03996	0.3
173.02339	0.3
173.04524	0.2
175.03926	0.4
179.03471	4.3
180.03770	0.3
191.03392	0.4
203.03439	0.2
203.10773	0.3
207.13831	0.4
230.07846	0.2
236.78647	0.2
247.09721	0.5
297.09793	0.5
315.10715	1.8
375.84329	0.2
377.71039	0.2
441.95459	0.2
443.15466	0.2
461.16562	5.7
462.17188	0.2
487.15460	0.5
551.20172	0.2
623.19702	70.2
624.20056	6.5
624.28088	0.1
665.20697	1.3
685.23236	0.2
745.23376	1.3
777.22552	0.7
785.25256	0.2
811.23993	0.2
815.23846	0.4
847.28589	1.7
848.29205	0.2
1009.31763	13.9
1010.32373	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	1009.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	4.3
73.02947	0.3
83.01359	0.3
85.02937	4.7
87.00883	0.2
89.02440	1.6
89.03963	0.2
93.03431	0.3
95.01376	2.2
95.05012	0.3
98.20540	0.3
99.00886	0.4
101.02431	1.5
105.03456	0.6
109.02946	0.2
111.00891	0.4
113.02435	10.2
115.01911	0.4
117.03464	1.4
119.03500	0.5
119.05014	0.5
121.02940	1.0
123.04511	1.5
125.02370	0.2
131.03549	0.2
132.02147	2.9
133.02940	39.4
134.03644	0.8
135.04507	15.5
136.04823	0.5
139.00342	0.7
143.03470	0.2
145.02942	0.6
147.04495	0.5
149.02412	0.9
151.03995	0.3
153.05582	1.2
160.01677	0.5
161.02422	100.0
162.02763	3.3
163.03996	0.3
173.02339	0.3
173.04524	0.2
175.03926	0.4
179.03471	4.3
180.03770	0.3
191.03392	0.4
203.03439	0.2
203.10773	0.3
207.13831	0.4
230.07846	0.2
236.78647	0.2
247.09721	0.5
297.09793	0.5
315.10715	1.8
375.84329	0.2
377.71039	0.2
441.95459	0.2
443.15466	0.2
461.16562	5.7
462.17188	0.2
487.15460	0.5
551.20172	0.2
623.19702	70.2
624.20056	6.5
624.28088	0.1
665.20697	1.3
685.23236	0.2
745.23376	1.3
777.22552	0.7
785.25256	0.2
811.23993	0.2
815.23846	0.4
847.28589	1.7
848.29205	0.2
1009.31763	13.9
1010.32373	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	1009.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	23.5
71.37427	0.5
71.37782	0.4
72.01703	0.4
72.99303	0.8
73.02936	8.9
83.01369	3.3
85.02934	21.0
87.00875	1.1
89.02428	8.4
95.01369	8.4
96.27596	0.3
97.02959	0.5
99.00888	0.8
101.02429	11.3
101.48907	0.4
103.04000	0.5
110.85229	0.3
113.02430	47.7
114.02790	0.7
119.03551	3.0
119.05002	14.4
120.05322	0.4
123.04497	2.0
125.02420	0.6
131.03482	1.1
134.03734	0.5
135.04504	32.6
136.04810	0.8
137.06067	1.0
143.03479	2.6
149.04550	1.0
151.81972	0.3
153.05568	1.3
155.03467	0.4
161.04521	5.0
179.05568	0.3
221.06671	0.7
276.13831	0.3
281.10248	14.9
282.10678	0.7
297.09641	2.4
299.11359	2.7
315.10818	5.6
341.12354	23.2
342.12665	1.2
359.47018	0.3
461.16553	100.0
462.16861	6.2
535.84564	0.3
623.21796	52.7
624.22253	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	101.0243
Annotation	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
50.23990	4.3
55.01875	50.9
57.03443	57.6
58.96701	4.0
59.01374	31.2
61.59187	4.1
65.80177	3.8
70.76890	7.3
70.77259	9.3
71.01379	30.5
73.02934	64.1
83.01370	12.5
88.20909	4.4
98.20264	6.8
101.02431	100.0
102.02728	3.8
109.40633	4.4
115.41354	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	1011.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	3.4
73.02941	0.3
74.16163	0.2
81.03429	0.6
83.05013	0.4
85.02940	3.4
87.00864	0.5
89.02435	0.9
89.03953	0.4
93.03450	11.5
95.01392	1.8
95.05015	0.4
101.02427	0.4
105.03452	0.9
107.05006	0.4
108.02178	0.3
109.02934	1.2
111.00876	0.4
111.04533	1.3
113.01677	0.6
113.02440	8.2
117.03448	0.8
121.02947	0.4
122.03729	0.6
123.04518	8.2
127.04019	0.4
132.02129	2.3
133.02946	34.2
134.03809	1.8
135.04512	37.8
136.04822	1.0
137.02441	2.1
139.11304	0.5
143.03522	0.4
149.02417	0.9
150.03217	5.7
151.03993	17.9
152.04308	0.5
155.03484	0.9
161.02428	100.0
162.02760	3.1
163.04070	0.7
173.04530	24.1
174.04854	0.5
175.03975	0.5
177.05515	0.5
178.02617	0.3
179.03479	47.8
180.03819	1.4
183.10271	1.5
189.05493	0.3
203.03506	1.3
205.04933	0.4
221.04524	0.3
225.11018	0.2
233.04716	0.3
247.06206	0.3
251.05606	0.4
305.07010	0.3
316.18518	0.3
334.73264	0.3
357.15555	4.9
459.14960	1.9
469.13513	0.4
487.14569	4.8
491.17416	0.4
529.24707	0.3
542.78192	0.3
621.18164	48.9
622.18488	5.3
653.20789	96.2
654.21143	9.8
654.38763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	4.4
71.62399	0.3
71.62798	0.2
72.99303	0.3
73.02950	0.4
76.80080	0.2
81.03479	0.3
83.01400	0.3
83.05048	0.6
85.02938	9.1
85.03438	0.5
87.00866	1.1
93.02849	0.4
93.03439	6.2
95.01373	2.3
96.96008	1.6
99.04523	0.2
101.02441	0.6
104.02704	0.3
105.03463	1.0
109.02936	0.8
111.04517	1.2
113.02438	9.8
115.01878	0.7
117.03447	2.1
119.05006	0.3
119.08636	0.2
121.02947	0.5
123.04529	1.5
127.04013	1.1
132.02162	4.3
133.02937	49.2
134.03810	2.7
135.04509	12.4
136.04803	0.5
137.02425	1.0
137.03378	0.2
148.01596	0.2
149.02431	4.7
150.03203	0.5
151.04027	1.2
153.05582	0.4
155.03468	1.2
160.01581	0.7
161.02420	100.0
162.02748	2.8
163.04024	0.5
164.04768	5.8
165.05537	0.3
171.02943	0.3
173.04530	5.9
173.06000	0.5
175.04008	0.5
178.02696	0.6
179.03473	9.3
179.07074	3.8
180.03799	0.4
189.05597	0.3
191.05577	28.5
192.05919	0.4
193.04962	0.3
203.03568	0.3
221.04346	0.2
223.06168	0.5
233.04544	0.4
251.05708	0.4
309.04059	0.3
339.08691	0.8
397.11206	0.6
414.17065	0.3
487.14581	0.3
557.26074	1.3
621.17853	1.9
622.18036	0.4
637.20496	0.3
639.22797	2.0
665.20575	0.5
679.39862	0.2
683.21838	3.3
684.22308	0.3
801.25977	60.9
802.26367	8.3
827.23907	16.3
827.39734	0.5
828.24109	2.5
845.24951	6.1
846.25140	0.7
857.27142	0.4
1019.30157	7.5
1020.30334	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	3.5
73.02957	0.3
77.03972	0.4
81.03456	0.4
83.01373	0.2
83.05016	0.3
85.02940	10.5
87.00864	1.4
93.03447	3.2
95.01382	1.9
96.95998	0.9
99.00886	0.3
99.04517	0.4
101.02412	0.9
105.03421	0.9
107.58038	0.2
108.02110	0.2
109.02952	1.1
111.00862	0.2
111.04500	1.0
113.02436	9.2
115.01890	0.6
117.03472	1.5
119.05009	0.5
121.02934	0.8
123.04501	1.1
127.03990	1.3
129.01949	0.2
132.02162	3.6
133.02940	45.4
134.03804	2.6
135.04509	12.6
136.04880	0.3
137.02437	0.7
143.03493	0.3
149.02423	4.9
149.06052	0.3
150.03151	0.3
151.03986	1.5
153.01891	0.2
153.05603	0.5
153.71039	0.2
155.03505	0.6
160.01663	0.7
161.02422	100.0
162.02736	2.6
163.04021	0.5
164.04765	4.7
165.05334	0.2
168.88924	0.2
171.03003	0.3
173.04538	1.8
175.03944	0.7
176.01199	0.2
177.05588	0.5
178.02634	0.3
179.03471	10.0
179.07072	3.4
180.03821	0.3
189.05486	0.2
191.05582	34.3
192.05911	0.7
193.04999	0.7
203.03424	0.3
221.04527	0.3
222.05205	0.2
223.06161	0.9
233.04486	0.4
251.05553	0.5
285.04108	0.3
305.06601	0.2
309.03952	0.4
324.06409	0.4
327.12070	0.2
339.08575	1.0
345.13348	0.2
391.12448	0.3
397.11316	0.7
397.46387	0.2
412.21426	0.2
479.13489	0.8
487.12833	0.9
488.12970	0.3
607.20557	0.3
621.18134	1.3
622.18597	0.4
637.21350	0.2
639.23059	1.8
665.20538	0.3
665.39166	0.5
683.21912	1.9
684.23145	0.2
707.39685	0.2
715.05408	0.2
801.25995	52.5
802.26282	6.3
827.23920	24.0
828.24420	3.1
845.24792	2.5
846.25299	0.3
857.27234	0.5
933.89587	0.2
959.49646	0.5
1019.29956	4.7
1020.31470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	7.4
73.02952	0.5
81.03444	0.4
83.01400	0.6
83.05016	0.5
84.02154	0.4
85.02426	0.7
85.02940	10.4
87.00857	0.7
89.02447	1.7
93.03445	8.5
95.01381	4.1
97.03003	0.3
98.20638	0.3
99.00902	0.5
101.02436	1.1
105.03455	1.0
107.04990	0.4
108.02201	0.4
109.02951	1.4
111.00836	0.6
111.04536	1.5
113.02440	17.6
115.01850	0.4
117.03446	1.0
117.12827	0.3
119.03471	0.3
119.05014	0.4
123.00951	0.7
125.02395	0.4
129.03406	0.3
132.02153	5.5
133.02945	53.1
133.72693	0.3
134.03664	1.7
135.04514	18.7
136.04884	0.5
137.02412	3.8
137.06136	0.3
138.03198	0.5
145.02917	0.6
146.03726	1.5
147.04503	3.2
153.05591	0.6
155.03476	1.8
158.03616	0.3
159.04498	3.5
160.01608	0.8
161.02425	100.0
162.02754	3.0
163.04004	0.4
173.04526	7.1
174.14944	0.3
175.04028	0.4
176.63316	0.3
179.03476	13.0
180.03864	0.4
181.05112	0.6
184.05223	0.3
185.05980	0.3
191.05560	3.3
191.07080	0.3
199.07555	0.3
203.03564	0.4
206.75160	0.3
211.07820	0.3
216.78639	0.3
225.05490	0.6
227.07141	1.3
233.04485	0.3
236.04669	0.3
237.05580	2.2
238.24542	0.3
239.07091	0.8
253.04956	0.9
255.02837	0.3
255.06590	3.1
265.04999	2.8
266.05658	0.6
267.06540	1.0
271.06055	0.8
281.04575	0.5
281.08118	0.8
282.05225	0.8
282.08850	0.9
283.06085	15.2
284.06589	1.1
296.06812	0.6
297.07648	1.4
298.08432	14.6
299.08835	1.2
301.03693	0.4
301.07150	1.0
301.10526	0.4
311.09186	1.4
313.10782	22.4
314.11255	1.5
316.09479	0.9
331.11786	2.2
425.03076	0.3
475.16260	0.6
493.17197	1.0
609.14838	0.9
639.22870	3.1
683.21741	6.0
684.22205	0.7
686.49573	0.3
801.26355	3.7
802.25763	0.4
827.23877	1.3
845.24976	76.7
846.25275	11.0
857.27216	3.3
1019.30243	39.1
1020.30609	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	1019.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.5
78.95895	11.7
79.76923	0.3
82.51241	0.2
83.04993	0.4
87.85206	0.3
96.96009	0.3
96.96949	0.9
97.93814	0.3
108.80608	0.3
126.03340	0.2
152.99567	17.5
161.02432	0.5
171.00629	1.4
179.03488	0.4
227.03188	2.1
233.22653	0.6
245.04274	1.9
248.07797	0.3
259.20502	0.5
275.20065	0.6
277.21680	97.1
278.21982	5.2
383.61081	0.3
505.25656	100.0
506.25980	6.8
753.47253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02945	0.4
85.02942	3.9
87.00849	0.3
89.02435	1.3
95.01388	2.0
95.05006	0.3
99.73177	0.2
101.02440	0.7
102.93741	0.3
105.03446	0.7
110.08968	0.2
112.46437	0.2
113.02435	10.2
113.90012	0.2
115.01854	0.2
117.03458	0.6
119.03508	0.3
123.04521	1.3
132.02145	2.4
133.02942	30.5
134.03429	0.3
135.04514	10.9
136.04860	0.4
139.11272	3.0
143.03473	0.5
153.05533	0.9
154.55058	0.2
161.02425	87.4
162.02754	2.5
179.03462	2.2
181.12315	2.1
183.10220	3.5
199.13390	1.1
225.11246	1.3
243.12334	16.8
244.12668	0.6
285.13550	0.3
292.34558	0.2
297.09875	0.5
311.86722	0.2
315.10870	1.4
345.15320	0.2
405.17603	7.7
406.18240	0.4
461.16476	4.5
462.16711	0.3
562.41290	0.2
589.24152	0.3
592.25824	0.2
623.19727	100.0
624.09772	0.5
624.20032	8.9
644.40851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61308	0.5
73.46795	0.3
85.02942	4.7
89.02436	1.6
95.01374	1.8
98.42745	0.3
101.02423	0.9
103.82344	0.2
105.03477	0.6
106.31444	0.3
113.02435	10.1
117.03422	0.6
119.03536	0.5
123.04514	0.8
124.85716	0.3
132.02171	2.7
133.02945	31.4
134.03354	0.6
135.04512	12.4
136.04826	0.5
136.76949	0.2
153.05542	0.8
161.02426	89.5
162.02774	2.2
163.04147	0.4
174.32047	0.3
179.03490	2.7
181.12392	0.3
203.84200	0.3
225.11247	0.3
297.09909	0.9
315.11023	1.5
405.17456	0.9
461.16602	4.8
461.22437	0.5
462.16565	0.3
504.62778	0.3
623.19739	100.0
624.20105	9.6
624.28308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.391
Annotation	Unknow
Peak:m/z	Relative Intensity
74.66875	0.2
81.03439	1.6
83.05016	0.3
83.56143	0.2
85.02946	0.5
89.02438	0.3
93.03423	0.2
95.05014	1.9
97.02944	0.2
97.06589	0.3
98.19893	0.2
98.76903	0.2
109.06570	0.6
110.09737	0.9
113.02435	0.5
113.62721	0.2
117.03459	5.1
119.05008	1.1
123.04460	0.9
128.10808	9.9
130.08722	100.0
131.09058	1.9
135.04506	0.2
135.08145	2.0
137.06067	0.3
143.04947	0.2
145.02936	15.6
146.03262	0.3
151.11234	0.3
154.08708	2.1
156.06651	0.5
163.03966	1.1
172.09775	3.9
177.09198	1.1
179.07094	0.8
181.08672	0.9
192.14005	0.4
221.08226	0.5
245.96936	0.2
246.18571	1.5
254.13911	0.5
283.70218	0.2
290.17560	1.9
308.18643	8.3
309.18915	0.3
316.66534	0.2
334.16553	4.1
352.17584	87.6
353.17935	3.7
353.56522	0.2
447.86270	0.2
609.66455	0.2
633.21814	16.6
634.22168	1.4
641.10291	0.2
712.87872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99297	0.4
73.02944	0.4
85.02942	6.6
87.00868	0.6
89.02434	3.6
89.03911	0.4
95.01373	2.6
96.96008	1.1
101.02422	2.3
103.69807	0.3
105.03461	0.7
107.05023	0.6
109.02948	0.5
113.02434	15.5
117.03449	1.1
119.03468	0.9
119.05020	0.3
123.04504	2.3
127.04047	0.3
132.02162	3.9
133.02936	44.0
134.03427	1.3
135.04506	22.1
136.04842	1.2
137.02383	0.4
143.03526	0.7
145.02939	0.6
153.05550	1.8
153.53380	0.3
159.04457	0.3
161.02417	100.0
162.02760	4.3
163.02892	0.4
174.03233	0.4
175.03992	0.5
179.03462	5.8
180.03827	0.7
187.04033	0.7
187.07767	0.3
187.11214	0.7
200.04718	0.4
205.12427	0.3
213.05569	0.8
239.07056	0.5
253.08655	0.7
267.10254	1.0
268.10840	0.3
297.09888	0.8
315.10831	2.9
323.16449	1.8
324.16574	0.4
349.14389	0.7
367.15472	1.0
411.14365	3.1
443.15448	0.5
461.16537	9.9
462.17075	0.8
487.13928	0.4
550.65961	0.3
573.19672	2.2
587.81964	0.4
623.19678	6.2
624.19958	2.4
625.20135	1.4
693.27545	5.7
694.27338	0.5
785.33466	0.4
811.20166	0.4
811.31689	16.2
812.32196	1.6
829.32153	1.2
855.30688	22.2
856.30975	2.6
873.32916	11.8
874.33594	1.2
915.31281	0.4
1001.74335	0.4
1035.36914	38.7
1036.37036	5.1
1038.35266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
88.98792	0.6
89.02460	0.3
93.03451	5.7
95.01372	0.8
95.05004	0.5
96.95999	1.4
98.92708	0.3
104.15498	0.3
105.03465	0.5
107.05043	0.8
108.02165	0.9
109.02946	2.8
113.02478	0.3
117.03473	0.6
119.05009	0.8
121.02948	8.5
122.03729	17.4
123.00863	1.6
123.04569	1.9
124.01670	1.3
125.02408	0.6
131.05110	0.3
132.02145	0.5
133.02977	2.7
134.03728	2.0
135.04523	2.0
136.01645	6.6
137.02431	13.7
138.03246	1.9
139.00383	0.7
139.03973	0.6
145.02942	1.9
146.03723	1.2
147.04510	1.0
148.01633	0.6
149.02426	29.9
149.06009	1.6
150.03206	100.0
151.00352	6.9
151.04008	10.9
152.01126	1.2
152.04800	1.7
153.01918	1.5
153.05579	0.7
159.04500	0.5
160.01715	0.3
161.02412	2.1
161.06029	0.6
162.03206	2.0
163.03995	1.6
164.01123	0.5
164.04770	6.2
165.01909	25.8
165.05545	83.7
166.02689	16.9
166.05765	2.4
167.03456	2.1
168.04297	1.0
173.04463	0.4
175.03951	1.7
176.01067	0.5
176.04730	0.7
177.01991	1.5
177.05544	3.7
178.02644	1.1
179.03459	6.5
179.07077	4.7
180.04256	18.4
181.05038	22.8
182.05397	0.4
184.03766	1.2
187.03937	1.9
188.04523	0.3
189.05569	0.5
190.02800	0.3
190.06320	0.9
191.03430	0.8
192.04274	1.1
193.05028	3.0
194.05772	1.8
195.06593	73.6
196.06927	2.0
202.06395	0.4
203.03474	0.6
204.04161	0.3
205.04977	4.7
206.05676	0.9
207.06587	1.9
209.04497	0.7
209.08057	1.6
210.05246	2.4
211.06032	0.6
219.06598	1.8
220.07387	2.7
221.08012	0.5
223.06152	0.5
225.07640	14.7
226.07965	0.3
233.08179	0.3
235.06116	0.4
235.09576	0.4
239.03502	0.5
251.03452	0.3
253.04922	0.4
266.05603	0.3
282.05350	0.7
297.07669	0.3
300.09952	0.4
308.09189	1.1
315.08545	0.9
327.09055	0.3
329.10242	1.2
341.10303	0.7
343.11780	1.6
353.10434	0.3
354.10724	0.4
357.09659	0.7
358.10394	0.5
359.11304	0.4
371.11191	0.6
372.11823	0.7
373.08298	0.6
373.12845	9.3
374.13327	0.4
387.09741	1.9
387.14844	3.8
388.11392	1.0
401.12119	0.4
402.13022	1.7
403.13919	5.4
416.14618	1.2
417.15515	18.3
418.15921	1.3
421.15005	9.5
422.15302	0.5
440.14282	0.4
471.16391	0.4
520.17413	0.4
535.15326	1.8
550.18726	0.8
551.18677	0.4
564.19812	0.8
565.20746	21.8
566.21069	1.9
577.20874	0.5
583.21765	0.8
595.21759	13.8
596.21997	1.3
599.21027	1.0
613.22839	13.8
614.22894	1.6
625.22546	0.7
643.23975	2.3
693.27740	0.7
707.32465	0.4
743.26886	3.4
773.28119	2.9
791.29028	4.5
792.28870	0.4
803.28741	1.0
821.30066	2.5
822.06396	0.3
822.31012	0.5
839.31238	4.8
939.34033	1.1
969.35706	1.4
987.35681	1.0
999.36108	0.5
1017.35730	0.7
1035.38452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00869	0.3
79.13891	0.3
79.66321	0.3
88.98813	0.4
89.02484	0.5
93.03452	6.6
95.01394	0.9
95.05022	0.8
96.96014	1.1
98.20573	0.6
101.02418	0.5
104.19606	0.4
105.03464	0.8
105.20028	0.3
107.05009	0.4
108.02178	0.9
109.02928	3.0
111.00899	0.4
113.02464	0.5
117.03464	1.2
119.05013	1.2
121.02940	9.0
122.03732	19.2
123.00889	1.7
123.04546	1.6
124.01661	1.0
125.02440	0.7
132.02119	0.7
133.02933	3.0
134.03728	3.5
135.04514	2.0
136.01649	6.3
137.02435	13.4
138.03259	2.3
139.00359	0.6
139.04002	0.7
145.02945	2.8
146.03734	1.5
147.04503	1.0
148.01625	0.5
149.02428	32.1
149.06046	1.6
150.03209	100.0
151.00352	7.2
151.04005	9.5
152.01140	1.3
152.04706	1.3
153.01865	0.9
153.05482	0.8
154.02632	0.5
159.04373	0.5
160.01613	0.6
161.02423	3.0
161.06038	0.8
162.03203	1.9
163.03978	1.5
164.01102	0.8
164.04778	6.6
165.01912	26.5
165.05547	86.9
166.02696	18.5
166.05789	2.4
167.03505	2.3
168.04289	0.8
173.04497	0.4
175.03983	2.3
176.01114	0.5
176.04724	0.7
177.01907	1.9
177.05531	3.3
178.02676	1.1
179.03505	6.8
179.07097	5.2
180.02620	0.6
180.04259	19.3
181.05042	23.7
182.05333	0.6
184.03691	1.2
187.04039	1.6
189.05597	0.4
190.02669	0.7
190.06239	0.9
191.03468	0.9
192.04205	1.2
193.05022	4.3
194.05807	1.8
195.06596	76.3
196.06934	1.8
201.02045	0.4
202.06265	0.5
204.04135	0.4
205.05006	4.6
205.08644	0.5
206.05766	1.0
207.06558	1.4
209.04527	0.5
209.08115	1.8
210.05237	2.3
211.05984	0.7
219.06635	1.1
220.07376	2.1
221.08162	0.5
225.07637	13.1
226.07927	0.4
233.08112	0.5
253.05125	0.4
266.05203	0.3
281.04294	0.4
282.05362	0.6
297.07605	0.5
299.09106	0.4
308.09189	1.0
314.07880	0.3
315.08679	0.8
329.10251	1.3
339.08694	0.5
340.09738	0.4
343.11743	1.7
358.10593	0.5
359.11224	0.8
371.11169	0.5
372.11719	0.7
373.12866	8.9
374.13123	0.9
386.13724	0.6
387.09949	2.2
387.14896	3.8
388.11063	0.8
401.12210	0.4
402.13174	2.2
403.13947	4.7
416.14578	1.1
417.15482	18.0
418.15723	1.2
421.14932	9.3
422.15314	0.6
535.16278	1.4
550.18158	1.1
551.19232	0.6
564.19995	1.2
565.20740	23.2
566.20691	2.0
577.20563	0.6
583.21338	0.5
594.20844	0.9
594.67383	0.4
595.21753	13.8
596.21753	1.3
599.21234	1.0
612.21564	0.4
613.22852	14.8
614.22656	1.2
625.21906	0.4
643.23901	2.3
659.20398	0.5
675.07593	0.4
693.26526	1.0
697.25024	0.6
707.32507	1.4
743.27002	3.9
773.28076	3.4
791.29083	5.2
792.29828	0.6
803.29114	0.8
821.30054	2.9
822.30176	0.5
839.30975	4.4
840.31073	0.6
939.33716	0.9
969.35419	1.7
987.36469	1.2
1017.37518	0.6
1035.39124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02470	0.2
75.02528	0.2
85.02950	0.2
89.02440	0.2
90.03472	0.2
92.05074	0.3
93.03471	0.4
94.02974	0.7
96.96003	0.7
98.19898	0.4
100.04026	0.4
103.04348	0.2
107.05065	0.2
108.02204	0.2
111.00809	0.2
113.02424	0.2
116.05048	22.7
117.05375	0.3
118.03004	0.4
118.06590	0.5
119.04987	0.4
119.06924	0.2
120.04527	0.6
122.02457	0.4
122.06105	0.2
123.03255	0.2
123.04483	1.2
124.04018	3.8
126.05582	0.7
128.05066	0.2
130.06570	0.3
131.03738	0.2
132.04518	0.3
133.02936	0.6
134.03700	0.6
134.06087	0.5
135.03218	0.3
135.04506	0.6
136.03915	0.2
137.06071	0.8
138.05588	0.3
140.05043	0.6
141.04565	1.1
142.06601	41.5
143.05977	1.0
143.06973	0.8
144.04550	1.2
146.06071	1.0
148.04018	0.6
149.04865	0.4
149.06058	6.2
150.05551	2.2
152.05019	0.8
152.07156	0.7
153.05814	0.2
154.05328	2.3
155.06149	0.4
156.08165	0.7
157.07654	0.3
159.06842	0.3
159.09206	0.2
161.02437	0.8
161.04720	0.5
162.05592	2.6
164.07135	0.7
166.06601	0.8
167.06030	1.3
167.07335	0.3
168.04521	0.2
168.08163	5.2
169.08629	0.3
174.05594	0.2
176.07124	4.9
178.06569	1.8
178.08687	1.1
179.03432	0.4
179.05876	0.6
179.07135	0.7
180.06750	0.4
180.08128	0.4
181.05144	0.2
184.07646	1.1
186.05659	0.4
186.09261	0.8
192.06589	0.5
192.08200	0.7
193.07605	0.4
194.08194	5.8
196.07593	0.3
196.09727	0.2
200.07199	0.3
203.08218	2.3
204.06790	0.4
205.07599	0.4
206.08226	0.3
217.07793	0.8
218.08220	0.7
219.09219	3.2
220.07632	1.1
220.09935	0.5
221.07167	0.2
230.08475	0.3
231.09262	0.9
232.06396	0.6
232.10013	0.4
235.08653	0.3
236.07037	0.3
236.09254	0.8
237.06584	0.3
237.10234	0.2
243.09297	0.2
244.06401	0.3
245.10757	1.5
246.07935	0.3
246.11536	0.2
247.08720	8.3
247.12260	0.4
248.09137	0.7
249.10281	0.5
251.08215	4.6
252.10419	0.3
255.09314	0.2
257.07187	0.5
258.07913	1.2
263.08313	0.3
263.11887	0.3
264.09027	0.3
265.09790	1.7
269.06952	0.3
271.08661	0.4
272.09515	0.7
273.10278	6.6
274.10571	0.4
275.08215	0.4
276.08728	0.2
277.09869	0.6
278.11646	0.2
279.11356	5.9
289.09796	0.6
290.10559	0.3
291.08261	0.3
291.11362	1.4
292.11896	0.3
293.09265	0.2
303.11557	0.4
305.12900	21.7
306.13187	1.6
307.14203	0.2
323.13943	100.0
324.14258	6.4
337.59247	0.2
339.43521	0.2
365.14868	0.3
367.12909	2.2
383.15982	0.2
409.13974	0.3
547.20764	34.3
548.21027	3.5
823.11023	0.3
873.36334	0.3
1035.42114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	0.3
73.02940	0.2
79.61052	0.2
83.01391	0.4
85.02940	5.9
85.03445	0.4
89.02437	2.9
95.01382	1.7
99.04511	0.5
101.02431	1.6
103.04026	0.2
113.02436	13.1
116.15292	0.2
117.03454	27.2
118.03784	0.5
119.03564	1.2
119.05010	7.0
123.04512	2.9
133.02933	1.8
135.04509	11.3
136.04880	0.4
143.03491	0.8
145.02933	84.7
146.03268	2.0
153.05553	4.0
155.08214	0.2
161.02429	4.5
161.04547	0.8
161.13358	1.0
163.03983	7.3
179.03474	0.8
179.05539	0.5
205.12256	1.8
223.13370	0.3
249.11263	2.5
267.12357	0.7
297.09741	0.7
315.10880	2.0
429.17514	6.4
461.16577	8.3
462.16815	0.4
463.25876	0.5
503.15656	1.1
533.16840	0.3
607.20209	100.0
608.20630	7.7
649.21155	0.8
875.33154	0.3
938.97522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	0.3
73.02940	0.2
79.61052	0.2
83.01391	0.4
85.02940	5.9
85.03445	0.4
89.02437	2.9
95.01382	1.7
99.04511	0.5
101.02431	1.6
103.04026	0.2
113.02436	13.1
116.15292	0.2
117.03454	27.2
118.03784	0.5
119.03564	1.2
119.05010	7.0
123.04512	2.9
133.02933	1.8
135.04509	11.3
136.04880	0.4
143.03491	0.8
145.02933	84.7
146.03268	2.0
153.05553	4.0
155.08214	0.2
161.02429	4.5
161.04547	0.8
161.13358	1.0
163.03983	7.3
179.03474	0.8
179.05539	0.5
205.12256	1.8
223.13370	0.3
249.11263	2.5
267.12357	0.7
297.09741	0.7
315.10880	2.0
429.17514	6.4
461.16577	8.3
462.16815	0.4
463.25876	0.5
503.15656	1.1
533.16840	0.3
607.20209	100.0
608.20630	7.7
649.21155	0.8
875.33154	0.3
938.97522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
72.10794	0.2
72.99300	0.2
73.02933	0.2
85.02943	5.8
87.00855	0.3
89.02429	3.9
89.03988	0.3
95.01385	2.1
95.94495	0.3
97.02937	0.2
99.04551	0.3
101.02424	2.1
113.02437	13.8
114.02026	0.3
117.03455	27.6
118.03763	0.5
119.03531	1.2
119.05009	6.8
121.66955	0.2
123.04504	2.9
131.03482	0.4
133.02934	1.6
135.04510	11.3
143.03506	0.8
145.02933	90.6
146.03262	2.0
153.05551	4.4
161.02440	4.0
161.04521	1.4
161.13316	1.4
163.03983	7.6
179.03503	0.8
179.05586	0.5
187.11290	0.3
203.93420	0.2
205.12283	2.0
223.13397	0.2
235.06065	0.3
249.11285	2.8
267.12357	0.6
297.09808	0.7
315.10861	2.1
418.23227	0.3
429.17557	5.6
430.17889	0.4
461.16547	9.9
463.25766	0.3
465.15530	0.2
483.75522	0.2
503.15698	1.0
607.20215	100.0
608.20605	9.4
648.53271	0.2
649.21295	0.6
736.28943	0.3
1037.36584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.36
Annotation	Unknow
Peak:m/z	Relative Intensity
75.20611	0.2
77.03981	0.2
79.05515	0.2
82.02961	0.5
85.02949	4.0
87.00881	0.4
89.02442	0.5
89.03972	0.9
91.05531	0.2
93.03459	0.5
95.01378	1.6
95.05048	0.4
99.00850	0.5
101.02431	0.5
103.03944	0.2
104.02652	0.5
105.03447	1.5
106.04234	0.4
107.05016	0.8
108.02140	0.2
109.02954	0.8
111.00893	0.3
112.04045	0.4
113.02435	5.5
115.01883	0.7
117.03455	2.5
119.05022	0.5
121.02949	1.1
123.04519	0.8
124.01672	0.2
124.99059	0.2
125.02450	0.3
129.01952	0.3
132.02161	6.2
133.02943	55.5
134.03740	14.3
134.04504	0.2
135.04512	38.6
136.04849	1.0
137.02449	3.3
137.06059	1.8
139.03998	1.1
143.03500	0.6
145.02943	0.6
147.04523	0.3
149.02454	0.6
149.06056	1.2
150.03160	0.5
159.04457	0.4
160.01649	1.9
161.02425	100.0
162.02785	2.5
163.04025	0.2
165.01875	0.2
166.05127	0.5
171.04514	0.7
173.02402	0.6
174.03192	0.3
175.03952	2.3
177.05562	0.5
178.02686	5.4
179.03473	32.4
180.03844	0.5
185.06128	0.2
186.03131	0.4
187.03993	0.8
187.06085	1.0
189.05547	0.4
191.03467	0.4
193.05025	12.1
194.02113	0.3
194.05359	0.4
197.06055	0.5
199.03960	2.7
200.04773	0.7
201.05537	0.6
203.03546	1.1
215.07106	0.4
217.04999	0.2
221.04485	0.3
232.03781	0.3
233.04492	0.7
240.04498	0.2
240.06747	0.3
243.03101	0.4
245.04413	0.4
252.06525	0.3
253.05099	0.3
265.07098	0.4
266.04501	0.4
268.06155	0.4
280.06192	0.3
281.06863	0.4
281.18997	0.2
282.07761	0.3
283.04749	1.1
284.05487	1.1
296.05786	1.0
297.06619	0.4
298.07190	1.0
308.09000	0.2
310.07083	0.8
310.10562	0.3
311.07956	0.5
312.08685	1.2
313.09482	0.3
322.10721	0.3
324.08270	0.2
325.09161	0.5
326.06525	0.3
326.10193	0.4
328.08295	0.3
338.06580	1.5
339.07309	0.5
340.08145	1.0
340.11896	0.3
342.09808	0.3
350.06165	0.2
354.09769	0.2
355.10663	0.2
363.08722	0.4
364.09451	0.5
370.09213	7.1
371.09964	3.2
372.10388	0.3
380.11493	0.4
384.30365	0.2
385.11630	0.5
398.12512	0.4
400.13837	0.3
430.36230	0.2
485.13016	1.8
487.14566	1.8
509.16898	0.8
513.16467	0.4
562.19141	0.5
644.54248	0.2
651.19421	0.8
688.22943	0.3
696.25098	0.5
706.23450	1.7
724.24530	0.3
738.25940	0.7
798.26123	1.8
826.25177	0.3
828.27246	1.5
840.27496	0.3
858.28290	3.6
859.28485	0.5
868.26514	4.1
869.27191	0.5
876.33203	0.7
900.29199	24.8
901.29565	3.2
1006.34015	0.6
1038.36023	25.3
1039.36035	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	1039.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02922	0.3
77.03958	0.4
78.95968	0.2
83.01404	0.3
85.02938	6.2
85.03445	0.4
87.00867	0.6
89.02433	2.9
89.03963	0.4
93.03463	0.7
95.01372	2.6
95.05034	0.6
96.96014	0.2
99.00885	0.4
101.02425	2.2
102.33965	0.2
104.02677	0.5
104.75773	0.2
105.03461	1.0
108.02145	0.2
108.97882	0.2
111.00857	1.4
113.02431	13.2
115.01882	0.5
117.03460	1.8
119.03496	0.7
119.05016	1.7
120.87080	0.2
121.02939	3.1
122.03710	0.3
123.04510	0.8
125.02432	0.3
127.04002	0.3
132.02151	4.7
133.02936	48.2
134.03784	1.1
135.04501	11.3
136.04840	0.8
137.02484	0.3
138.03162	0.5
139.00357	1.7
143.03523	0.5
145.02922	0.6
147.04482	1.2
149.02412	2.7
149.06047	0.3
150.03207	7.4
160.01659	1.0
161.02417	100.0
162.02742	2.7
163.04012	0.4
165.01929	0.4
165.05531	1.0
168.04263	0.9
173.02406	0.7
175.04012	0.8
179.03462	8.4
179.71278	0.2
180.03821	0.8
181.05084	0.3
183.06506	0.3
191.03525	1.4
193.05048	0.5
203.03485	0.5
221.04431	0.3
323.07837	0.5
327.10852	0.2
330.09509	0.7
345.12000	0.9
458.14362	0.3
473.16510	0.5
476.15143	2.1
477.15631	0.3
487.16284	0.4
491.17642	8.1
492.17996	0.4
610.42798	0.3
635.19727	1.0
636.20221	0.3
653.20801	7.9
654.21289	0.7
665.21246	0.3
679.19702	0.4
695.21857	4.8
695.33752	0.3
775.23859	4.2
807.23340	2.3
808.23541	0.3
815.25824	0.3
827.23511	1.0
841.25427	0.9
845.25018	1.6
859.26923	0.8
877.29327	4.5
878.29962	0.3
910.03918	0.2
937.29260	0.3
1007.30243	0.4
1039.32788	48.1
1040.32898	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	1039.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02946	0.4
77.03960	0.6
83.01367	0.4
85.02945	5.7
89.02426	3.4
89.03960	0.8
91.05520	0.7
93.03467	1.6
95.01377	3.2
95.05022	1.1
96.95977	0.3
99.00867	0.5
101.02433	3.9
103.04037	0.3
104.02708	0.5
105.03455	1.4
106.04272	0.4
107.05016	1.6
108.02151	0.6
109.02933	1.2
111.00858	1.6
113.02438	12.0
115.01902	0.4
117.03448	2.6
118.71644	0.3
119.03503	0.5
119.05014	1.7
121.02937	3.9
122.03736	0.7
123.04509	10.5
127.03941	0.7
131.03494	0.4
132.02161	5.7
133.02945	50.0
134.03780	4.9
135.04512	72.5
136.04869	2.0
137.02414	1.1
139.00397	1.9
139.04013	0.4
143.03525	0.6
145.02931	0.8
147.04553	1.6
149.02406	3.9
149.06084	0.9
150.03217	5.5
151.03990	19.1
153.05551	0.7
160.01646	0.9
161.02425	100.0
161.04593	2.4
162.02763	2.6
163.04022	1.0
165.01906	0.8
173.02425	0.9
175.03952	1.5
177.01917	0.9
177.05537	0.8
178.02689	0.5
179.03476	69.0
180.03783	1.6
181.05008	0.7
187.03983	0.7
189.05548	0.4
191.03464	2.2
193.05077	0.8
195.02965	0.4
203.03487	1.1
205.01593	0.4
205.05127	0.8
221.04507	0.5
223.06073	0.7
233.04495	1.4
234.21465	0.4
245.04504	0.7
246.76694	0.3
251.05652	1.2
265.07141	0.7
305.06583	0.5
323.07602	1.1
341.08896	0.7
403.12329	1.2
445.13354	0.6
459.15042	3.7
491.18097	0.5
603.17206	1.0
621.18256	4.8
635.20081	0.7
653.20734	3.3
654.21448	0.4
663.18976	3.0
664.19592	0.4
679.18933	0.5
683.21429	0.4
695.22058	2.4
696.22577	0.5
743.20758	0.9
775.22913	3.5
795.21796	0.8
807.23840	1.7
809.22699	1.1
813.21967	0.6
815.25616	0.4
827.24115	0.9
845.26404	5.7
846.27466	0.6
873.26703	6.6
874.27014	0.7
877.29260	2.2
975.27527	0.6
1007.30188	25.2
1008.30786	3.1
1039.32837	40.3
1040.32800	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	1039.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02942	0.5
75.49574	0.1
83.01411	0.2
84.02140	0.2
85.02942	1.0
87.00864	0.1
89.02427	0.2
93.03448	0.8
95.01408	0.5
97.02929	0.1
99.00865	0.3
101.02442	1.1
105.02010	0.1
108.02173	1.2
109.02954	0.4
112.80283	0.1
113.02438	0.7
121.02937	3.1
122.03742	1.8
123.00919	0.3
123.04473	0.2
124.01646	0.3
125.02447	0.2
133.02921	0.1
134.03734	0.6
135.04512	0.4
136.01643	60.3
137.02359	1.4
138.03159	0.1
143.05025	0.1
145.06636	0.2
149.06055	0.3
151.03986	81.5
152.04335	2.0
154.02666	0.2
158.03725	0.1
159.03078	0.2
159.04495	0.5
160.01512	0.1
160.05263	1.2
161.02469	0.9
161.04530	2.6
161.05911	0.2
162.03215	0.9
163.03984	0.9
173.04510	0.2
175.03972	0.4
175.07608	1.5
176.04749	0.2
177.05518	0.7
179.03450	0.5
181.05099	0.1
187.04033	0.2
188.04723	0.2
189.05573	0.4
190.06339	0.2
193.04997	0.3
203.07065	0.3
241.05107	0.2
245.62833	0.1
256.07410	0.2
267.06619	0.1
296.10669	0.3
297.11536	0.1
311.12814	0.5
320.35696	0.1
337.86938	0.1
341.10361	0.2
342.11023	4.7
343.11569	0.2
353.10165	0.3
357.13367	100.0
358.13718	5.7
464.21585	0.1
519.19189	1.5
793.13806	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	1041.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02930	0.9
81.03446	1.0
83.01387	0.2
83.05027	0.7
85.02942	2.0
87.00865	0.5
89.02441	0.7
92.54601	0.1
93.03445	31.6
94.03762	0.5
95.01363	0.9
95.05012	0.2
96.26472	0.1
97.02922	0.2
99.04538	0.2
101.02441	0.3
109.02922	1.0
110.17001	0.1
111.00867	1.0
111.04508	5.5
113.02433	4.1
117.03452	0.4
123.04521	0.3
127.03999	0.5
129.05569	0.2
132.02168	1.0
133.02939	13.4
134.03369	0.2
135.04507	5.0
137.02423	5.5
139.11276	6.3
143.03482	0.2
146.01064	0.2
153.05498	0.2
155.02217	0.2
155.03479	5.1
161.02420	37.1
162.02744	1.0
163.11278	0.2
165.09169	0.4
173.04518	100.0
174.04848	2.1
179.03462	1.0
181.12317	4.1
183.10233	9.2
199.13350	3.3
207.10179	0.2
225.11290	2.7
243.12318	26.0
244.12627	1.0
315.10895	0.5
323.66754	0.1
357.15427	0.1
399.16397	0.2
417.17581	97.4
418.17883	6.0
447.36282	0.2
461.16623	1.6
623.19702	44.4
624.20111	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	1041.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02930	0.9
81.03446	1.0
83.01387	0.2
83.05027	0.7
85.02942	2.0
87.00865	0.5
89.02441	0.7
92.54601	0.1
93.03445	31.6
94.03762	0.5
95.01363	0.9
95.05012	0.2
96.26472	0.1
97.02922	0.2
99.04538	0.2
101.02441	0.3
109.02922	1.0
110.17001	0.1
111.00867	1.0
111.04508	5.5
113.02433	4.1
117.03452	0.4
123.04521	0.3
127.03999	0.5
129.05569	0.2
132.02168	1.0
133.02939	13.4
134.03369	0.2
135.04507	5.0
137.02423	5.5
139.11276	6.3
143.03482	0.2
146.01064	0.2
153.05498	0.2
155.02217	0.2
155.03479	5.1
161.02420	37.1
162.02744	1.0
163.11278	0.2
165.09169	0.4
173.04518	100.0
174.04848	2.1
179.03462	1.0
181.12317	4.1
183.10233	9.2
199.13350	3.3
207.10179	0.2
225.11290	2.7
243.12318	26.0
244.12627	1.0
315.10895	0.5
323.66754	0.1
357.15427	0.1
399.16397	0.2
417.17581	97.4
418.17883	6.0
447.36282	0.2
461.16623	1.6
623.19702	44.4
624.20111	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	1045.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02937	0.4
85.02943	4.7
89.02432	2.2
89.03970	0.5
93.03461	1.1
95.01375	3.2
95.05026	0.2
97.02957	0.3
99.00860	0.3
101.02428	2.7
104.02722	0.2
105.03432	1.1
107.05046	0.4
111.00872	1.1
113.02433	12.0
115.01896	0.7
117.03480	0.9
119.03539	0.4
119.05007	0.7
121.02938	4.0
123.04508	2.8
125.02408	0.5
127.04018	0.2
130.08722	0.4
131.03436	0.4
132.02153	4.2
133.02939	49.3
134.03651	1.1
135.04507	18.2
136.04857	0.3
137.02397	0.3
139.00328	1.8
143.03510	0.5
145.02866	0.2
147.04486	0.9
149.02432	4.1
149.06075	0.3
152.01097	0.4
153.01903	0.3
153.05568	2.4
153.43956	0.2
160.01613	0.8
161.02420	100.0
162.02736	2.7
163.03944	0.3
167.03429	1.0
173.02383	0.2
175.03984	0.6
179.03484	3.0
191.03447	0.7
203.03499	0.6
212.76689	0.2
223.06152	0.4
297.09805	0.9
315.10785	2.1
323.07355	0.4
327.44403	0.2
352.17737	0.4
389.00549	0.3
443.15543	0.6
461.16574	12.0
462.16827	0.8
503.17612	0.6
623.19733	4.0
665.20978	1.6
685.23572	0.3
745.23328	3.1
746.23169	0.4
777.22253	2.8
778.23108	0.3
815.24164	1.0
829.25677	0.4
847.27649	5.8
848.27753	0.5
907.27814	0.4
967.99072	0.2
1009.31793	74.0
1010.31989	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	1046.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02947	0.1
85.02936	2.8
87.00864	0.2
89.02435	0.4
89.03946	0.5
91.05558	0.3
93.03455	0.3
95.01369	0.9
96.96012	0.3
101.02399	0.2
104.02664	0.1
105.03452	0.3
106.04225	0.2
107.05009	1.3
108.02134	0.1
109.02969	0.3
113.02437	3.7
115.01908	0.1
117.03449	1.8
121.02922	0.1
123.04483	0.2
125.02435	0.1
132.02171	1.8
133.02942	15.2
134.03740	4.8
135.04507	70.4
136.04814	1.5
137.02431	0.3
137.06081	0.3
143.03513	0.2
147.04553	0.2
159.18054	0.1
160.01649	0.3
161.02422	29.2
162.02763	0.7
173.04579	0.1
173.06039	0.1
175.03978	0.6
177.05547	0.2
179.03470	100.0
180.03815	2.4
189.05566	0.2
193.05006	0.5
203.03520	0.7
205.01378	1.4
217.04970	0.3
223.06380	0.3
233.04530	0.4
236.07104	0.1
245.04532	0.5
247.06198	0.1
248.07095	2.0
249.07722	0.4
250.08789	0.4
251.05626	0.5
252.06726	0.1
267.05530	0.2
274.58011	0.1
275.05872	0.4
276.06619	1.0
291.05106	0.2
292.06061	0.2
294.07773	0.4
305.06570	0.2
308.09232	6.4
309.09583	0.4
310.07053	0.9
319.04959	0.3
320.05490	0.6
323.07672	0.4
325.09222	0.4
326.10242	0.3
330.63599	0.1
334.07144	1.4
472.13882	2.1
487.14502	17.2
488.14832	1.1
492.19409	0.1
558.17725	0.7
616.20508	0.3
618.17767	0.2
623.19769	0.3
624.20612	0.2
634.21509	0.4
660.19250	0.4
682.44489	0.1
691.81421	0.1
723.28790	0.2
778.23065	0.9
780.21350	2.3
781.21521	0.2
796.24170	0.8
798.26154	0.8
822.22369	7.3
823.22595	0.9
841.32745	0.3
866.25922	0.2
884.29596	1.3
885.31604	0.9
908.27130	0.1
954.06146	0.1
960.29230	1.2
961.28882	0.2
1046.33167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99291	0.3
73.02940	0.2
77.03966	0.4
79.05547	0.2
81.03471	0.2
83.01364	0.4
85.02944	6.5
87.00838	0.3
87.23734	0.2
89.02442	2.4
89.03972	0.7
93.03438	0.2
95.01382	2.8
95.05017	0.4
96.96020	0.6
97.06541	0.1
99.00867	0.2
101.02423	1.0
103.04000	0.2
104.02668	0.5
105.03444	1.2
107.05025	0.5
109.02946	0.4
113.02441	15.5
115.01897	0.5
117.03463	1.9
119.03489	0.4
119.04988	0.2
121.02966	1.7
123.04530	0.7
125.02365	0.1
131.03503	0.2
132.02158	5.6
133.02946	52.3
134.03812	2.0
135.04514	25.3
136.04877	0.6
137.02440	1.0
138.03206	0.6
139.00368	0.2
143.03506	0.5
149.02434	3.5
149.06017	0.3
150.03215	3.3
155.08664	0.3
159.04485	0.3
160.01662	1.1
161.02429	100.0
162.02771	2.5
163.04030	0.3
164.04765	1.0
165.01938	0.5
165.05527	0.3
166.02693	0.2
168.04283	0.3
171.11713	0.8
173.04562	0.2
173.06009	0.2
175.03995	0.4
177.05531	0.5
178.02701	0.5
179.03474	23.8
180.03804	0.7
181.05064	0.6
189.12918	0.2
193.05052	0.6
203.03525	1.0
221.04471	0.4
233.04520	0.3
233.11855	0.7
245.04550	0.2
251.05646	0.4
323.07709	0.9
325.09097	0.2
325.62408	0.2
330.09518	0.2
341.08716	1.1
345.11856	0.3
455.26096	0.2
476.15329	0.5
487.14633	1.4
489.16180	0.8
490.16556	0.2
491.17700	2.0
529.20624	0.2
623.19739	0.5
649.19147	0.2
651.19208	7.5
652.19952	1.4
653.20844	4.8
654.21429	0.4
679.29950	0.4
705.27869	0.6
723.28656	14.2
724.28735	1.5
813.24554	0.5
815.26385	0.2
841.32800	12.9
842.32965	1.4
867.30774	7.7
868.30823	0.9
885.31763	63.3
886.32086	8.4
927.33710	0.4
969.74390	0.2
1003.38544	0.6
1047.37158	2.6
1048.38525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6772
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95893	16.0
85.38314	0.1
96.96965	0.3
101.52703	0.1
103.93690	0.1
122.98533	0.4
134.98537	0.2
145.22992	0.1
152.98329	0.2
152.99557	2.7
158.39374	0.1
168.04280	2.8
194.05811	0.2
224.06891	8.8
237.22214	0.2
242.07961	1.8
255.23248	100.0
256.23575	4.6
276.91425	0.1
326.99661	0.1
409.23553	0.1
480.30850	97.1
481.31213	6.4
495.27405	0.7
554.34570	6.0
555.34998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39697	1.4
58.46829	1.3
59.01374	18.0
71.17559	3.3
72.99303	68.0
73.99626	1.8
74.94466	1.3
75.00867	23.9
102.43522	1.3
105.01924	100.0
106.02253	2.9
109.32679	1.2
118.87679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0192
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01376	20.3
59.12627	1.2
67.73374	1.1
70.00369	2.9
70.00759	2.6
72.99300	72.1
73.99638	1.9
75.00861	22.3
101.55379	1.1
105.01925	100.0
106.02263	3.4
114.20381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39697	1.4
58.46829	1.3
59.01374	18.0
71.17559	3.3
72.99303	68.0
73.99626	1.8
74.94466	1.3
75.00867	23.9
102.43522	1.3
105.01924	100.0
106.02253	2.9
109.32679	1.2
118.87679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02927	0.2
77.03947	0.1
83.01367	0.3
84.02144	0.1
85.02942	5.2
87.00889	0.2
89.02434	1.6
93.03426	0.1
95.01380	2.2
98.19742	0.2
101.02433	0.9
103.04013	0.1
105.03452	0.5
107.05032	0.3
109.02906	0.2
113.02436	12.5
114.02753	0.2
115.01881	0.2
117.03455	0.9
119.03491	0.5
123.04497	1.1
125.02539	0.1
131.03477	0.1
132.02144	2.0
133.02939	23.9
134.03653	0.5
135.04506	15.5
136.04811	0.6
143.03491	0.4
147.04451	0.1
153.05542	0.8
161.02422	78.2
162.02756	2.2
172.28558	0.1
179.03468	4.1
180.03847	0.2
181.05028	0.3
181.31563	0.1
182.10303	0.1
189.30078	0.1
223.13339	0.4
229.54680	0.1
233.04507	0.4
251.05591	0.8
260.92371	0.1
267.12366	0.7
297.09680	0.7
315.10818	1.9
429.17648	0.7
453.57816	0.1
461.16580	6.7
462.16827	0.5
477.14334	0.1
622.18475	0.5
623.19702	100.0
624.20038	8.5
891.32941	0.2
1053.38367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02959	0.2
73.62487	0.2
75.00822	0.2
83.01379	0.3
83.42746	0.2
85.02937	4.1
87.00883	0.2
89.02423	1.4
95.01369	1.7
98.20661	0.7
101.02426	1.1
105.03422	0.6
113.02437	9.5
115.01880	0.3
117.03457	0.8
119.03507	0.4
123.04505	1.2
132.02147	1.9
133.02940	31.2
134.03287	0.4
134.04721	0.2
135.04509	11.4
136.04852	0.3
153.05571	1.1
161.02420	88.1
162.02753	2.3
179.03468	2.5
193.56773	0.3
207.95877	0.2
230.12209	0.2
243.12274	0.7
278.12988	0.2
297.09698	0.6
298.38745	0.2
306.87305	0.2
315.10876	1.4
325.33167	0.2
345.15466	0.2
347.17221	0.3
389.18137	0.4
435.18762	0.3
461.16605	4.4
462.17099	0.3
468.23578	0.2
623.19708	100.0
624.19977	9.8
625.20367	0.4
704.93512	0.2
866.19232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	0.5
85.02945	1.9
87.00874	0.5
89.02435	2.4
89.03945	0.7
93.03443	3.2
95.01379	1.4
95.05006	0.9
97.02940	0.2
99.00860	0.7
101.02429	5.1
108.02121	0.2
109.02897	0.1
111.00869	4.8
111.01640	0.2
113.02433	3.4
116.02666	0.3
117.03451	44.1
118.03770	1.1
119.03526	0.7
119.05006	10.9
120.05359	0.2
121.02937	5.1
122.03253	0.2
123.04513	0.8
125.02457	0.7
125.93777	0.1
127.03990	0.7
131.03513	0.2
132.02203	0.1
133.02934	0.5
133.06558	0.3
135.04483	0.4
137.02406	0.1
137.06068	1.7
139.00356	4.2
139.03993	0.3
143.03462	0.4
143.05008	0.3
145.02933	100.0
146.03282	2.7
147.04492	1.0
149.02423	4.6
150.02777	0.2
153.01917	0.5
153.05536	0.4
155.03455	0.4
161.02434	0.7
161.04529	0.5
161.06053	0.5
163.03983	6.5
164.04385	0.2
165.05562	0.2
173.02412	0.1
177.05534	0.3
179.03436	0.6
179.05550	0.3
179.07114	0.3
187.03987	0.4
191.03445	0.4
203.05547	0.2
205.05000	0.7
223.06081	1.4
265.07080	0.4
281.10254	0.6
299.11319	0.5
307.08081	0.2
325.09259	0.3
341.12299	0.2
403.12424	0.4
445.17023	1.3
469.17178	0.4
487.18158	3.9
531.14966	0.5
549.16211	0.2
609.21802	0.3
615.20715	2.1
616.20612	0.1
633.21802	13.0
634.21967	1.2
641.20966	0.6
652.19507	0.2
653.20660	0.4
675.22809	5.0
676.22900	0.6
711.24921	1.0
745.62567	0.1
755.25348	9.3
756.25311	0.8
781.26648	0.3
787.24426	9.7
788.24915	1.3
807.25024	0.4
821.26666	0.2
825.26001	1.8
826.26563	0.4
839.27643	1.2
855.28308	0.2
857.28809	1.4
858.29254	0.4
873.29877	1.3
874.30951	0.3
883.55341	0.1
917.31604	0.3
949.29877	0.4
977.32745	0.3
987.31604	0.6
1019.33850	26.6
1020.33990	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	1063.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	0.4
85.02944	1.9
87.00868	0.6
89.02435	2.5
89.03959	0.7
93.03442	2.8
95.01373	1.3
95.05024	0.9
96.96007	0.3
97.02957	0.3
99.00880	0.9
101.02431	5.0
108.87827	0.2
109.02885	0.3
111.00870	4.9
111.01627	0.3
113.02443	3.2
117.03452	42.0
118.03808	0.5
119.03512	0.7
119.05010	10.0
120.05341	0.3
121.02942	4.7
123.04468	0.5
125.02428	0.9
127.04020	0.8
133.02937	0.8
135.04492	0.6
137.06064	2.2
139.00356	3.9
143.03531	0.2
145.02933	100.0
146.03297	2.4
147.04509	0.8
149.02434	4.6
153.01878	0.7
153.05522	0.3
161.02425	1.4
161.04524	0.5
161.06032	0.4
163.03984	7.7
165.05466	0.2
177.05594	0.5
179.03487	0.4
179.05568	0.4
181.04948	0.4
187.03981	0.6
191.03426	0.5
199.04112	0.2
203.05573	0.4
205.05002	0.8
223.06107	1.4
245.68239	0.2
265.07095	0.3
281.10263	0.6
291.93286	0.2
299.11389	0.3
391.81317	0.2
403.12021	0.5
445.17178	1.1
469.17282	0.3
487.18127	4.5
531.14594	0.5
609.21698	0.4
615.20654	2.4
616.21222	0.4
633.21802	14.2
634.22412	1.6
641.20758	0.6
675.22870	5.6
676.22974	0.4
711.24927	0.7
755.25360	10.0
756.26184	1.0
763.26086	0.2
781.26501	0.2
787.24402	9.8
788.24811	0.9
807.24841	0.5
825.25604	1.8
826.26996	0.5
839.27588	1.1
857.28613	1.4
861.65314	0.2
873.30334	1.7
901.32947	0.3
938.74982	0.3
987.30090	0.4
1019.33868	26.0
1020.33954	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	1065.49
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03970	0.3
81.03441	0.2
83.01394	0.3
85.02940	4.5
87.00880	0.5
87.64509	0.1
89.00324	0.1
89.02437	2.8
89.03965	0.5
93.03429	0.1
94.29586	0.1
95.01369	1.8
95.05010	0.3
96.95990	0.4
97.02962	0.2
98.38635	0.1
99.00893	0.2
101.02428	2.8
104.02676	0.5
105.03469	1.2
107.05022	0.2
109.02927	0.2
113.02440	8.2
113.33149	0.1
114.02724	0.2
115.01888	0.6
117.03455	1.3
119.03497	1.0
123.00892	0.1
123.04535	2.0
127.04001	0.2
132.02162	7.0
133.02943	59.3
134.03357	1.1
135.04512	16.5
136.04829	0.3
137.02371	0.2
143.03493	0.2
153.05537	1.5
160.01582	0.3
161.02425	100.0
162.02768	2.9
179.03473	2.8
183.13838	0.3
279.23254	1.5
280.23639	0.1
297.09650	0.4
297.24344	0.6
315.10800	1.6
441.28714	0.2
443.15582	0.3
459.29562	2.5
460.29614	0.2
461.16553	3.6
462.16556	0.2
605.18646	0.5
623.19745	0.8
653.20599	0.3
877.85248	0.2
903.45770	3.6
904.47168	0.6
1065.48914	84.0
1066.49292	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	1067.396
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	0.4
81.07098	0.6
83.01375	1.0
83.05058	0.2
85.02947	5.2
87.00870	1.4
89.02435	17.7
91.05532	0.2
95.01388	2.2
95.05007	0.4
96.95983	0.3
97.06567	0.6
99.04520	3.5
101.02432	10.8
104.45598	0.2
105.07061	0.3
107.05031	1.2
111.04516	0.8
113.02436	10.1
117.03432	0.5
119.03493	7.4
119.04859	0.3
120.05851	0.2
123.04527	1.2
125.02420	0.3
125.06091	0.3
131.03485	0.9
132.02174	2.8
132.04524	0.3
133.02953	1.2
134.03735	2.0
135.04517	3.7
135.11765	0.2
136.04829	0.2
143.03493	1.9
145.02911	0.5
149.04546	0.6
149.06053	0.4
150.06821	0.3
153.05550	1.0
160.01636	9.2
161.02441	3.5
161.04514	2.3
161.09718	1.1
161.13341	12.8
162.02869	0.2
162.13664	0.4
163.04004	0.2
163.11290	0.4
175.03984	8.8
176.04236	0.3
176.28922	0.2
179.03548	0.6
179.05591	7.8
179.07167	0.5
187.11250	3.0
189.09233	0.3
193.04997	1.7
205.12303	24.7
206.12643	1.0
207.10153	0.6
220.06137	0.3
223.13368	6.5
231.10202	0.4
249.11281	41.3
250.11559	1.5
267.12335	21.7
268.12680	1.0
309.13596	0.4
315.10788	0.4
371.23666	0.2
385.18683	2.6
386.18683	0.2
405.31152	0.2
411.16321	0.3
429.17581	100.0
430.17941	6.2
444.15805	0.2
461.16681	2.8
489.18741	0.7
623.19830	0.5
637.21295	21.0
638.21881	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	1067.396
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	0.4
81.07098	0.6
83.01375	1.0
83.05058	0.2
85.02947	5.2
87.00870	1.4
89.02435	17.7
91.05532	0.2
95.01388	2.2
95.05007	0.4
96.95983	0.3
97.06567	0.6
99.04520	3.5
101.02432	10.8
104.45598	0.2
105.07061	0.3
107.05031	1.2
111.04516	0.8
113.02436	10.1
117.03432	0.5
119.03493	7.4
119.04859	0.3
120.05851	0.2
123.04527	1.2
125.02420	0.3
125.06091	0.3
131.03485	0.9
132.02174	2.8
132.04524	0.3
133.02953	1.2
134.03735	2.0
135.04517	3.7
135.11765	0.2
136.04829	0.2
143.03493	1.9
145.02911	0.5
149.04546	0.6
149.06053	0.4
150.06821	0.3
153.05550	1.0
160.01636	9.2
161.02441	3.5
161.04514	2.3
161.09718	1.1
161.13341	12.8
162.02869	0.2
162.13664	0.4
163.04004	0.2
163.11290	0.4
175.03984	8.8
176.04236	0.3
176.28922	0.2
179.03548	0.6
179.05591	7.8
179.07167	0.5
187.11250	3.0
189.09233	0.3
193.04997	1.7
205.12303	24.7
206.12643	1.0
207.10153	0.6
220.06137	0.3
223.13368	6.5
231.10202	0.4
249.11281	41.3
250.11559	1.5
267.12335	21.7
268.12680	1.0
309.13596	0.4
315.10788	0.4
371.23666	0.2
385.18683	2.6
386.18683	0.2
405.31152	0.2
411.16321	0.3
429.17581	100.0
430.17941	6.2
444.15805	0.2
461.16681	2.8
489.18741	0.7
623.19830	0.5
637.21295	21.0
638.21881	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	1067.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
78.16904	0.1
78.46168	0.1
81.03461	0.1
83.01383	0.6
84.02161	0.2
85.02939	2.4
87.00861	0.1
91.05517	0.2
93.03447	4.6
95.01376	0.5
97.02939	0.2
98.19811	0.1
99.00867	0.7
101.02432	2.8
105.03474	0.1
107.01423	0.1
107.04994	0.2
108.02148	0.3
109.02944	0.5
113.02435	2.5
116.17997	0.1
117.03439	0.4
119.04953	0.1
121.02940	44.6
122.03694	1.7
123.00874	0.2
123.04488	0.2
124.01620	0.2
125.02433	0.2
129.01941	0.1
133.02972	0.3
134.03741	0.5
135.04509	3.4
136.01645	1.9
136.02715	0.1
136.05043	0.1
137.02441	0.6
137.06003	0.1
143.03464	0.3
145.02971	0.1
146.03696	0.2
147.04504	0.5
149.02422	0.1
149.06038	0.2
151.03986	2.6
154.02744	0.4
159.02960	0.9
159.04472	0.2
160.05264	0.3
161.02562	0.7
161.04539	5.9
161.05992	0.4
162.03188	0.9
162.04619	0.1
163.03986	1.9
164.04785	0.5
170.42249	0.1
174.03224	0.1
175.03966	0.5
175.07613	0.1
176.04683	0.1
177.05528	0.9
179.03465	0.3
179.07132	0.1
187.03949	0.1
188.04781	0.1
189.05595	0.1
190.06311	0.2
192.04391	0.1
203.03496	0.1
204.04135	0.1
205.03397	0.1
205.05077	0.1
205.08519	0.1
240.04341	0.1
241.05011	0.1
255.06505	0.4
256.07312	0.2
266.05933	0.1
268.07037	0.1
269.08179	0.1
270.08749	0.1
271.09717	0.1
278.05844	0.1
279.06827	0.1
281.08029	0.2
285.07501	0.1
293.08063	0.1
295.06030	0.1
296.06824	0.2
296.10254	0.1
308.06833	0.1
311.09198	0.2
311.12888	0.1
323.09573	0.1
325.10654	0.1
326.07791	0.3
326.11691	0.3
327.12210	0.1
341.10159	0.4
341.13901	0.1
355.11679	0.1
356.12579	78.7
357.12924	4.5
371.14920	100.0
372.15240	6.6
533.20660	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.6001
Annotation	Unknow
Peak:m/z	Relative Intensity
74.89835	0.2
78.95895	7.5
79.74419	0.2
82.50703	0.2
91.26080	0.2
110.26902	0.2
143.79758	0.2
152.99570	1.3
168.04259	1.9
178.83983	0.3
191.10738	0.3
213.22417	0.3
224.06857	1.2
231.28752	0.2
233.22664	0.6
242.07912	3.4
248.91699	0.2
259.20575	0.9
266.14148	0.2
275.20068	0.6
277.21667	99.7
278.22037	4.8
352.45187	0.2
466.65479	0.2
502.29327	100.0
503.29678	7.9
552.28577	5.2
553.29388	0.3
857.08887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03951	0.2
83.01387	0.4
85.02941	4.2
87.00877	0.1
89.02437	1.1
89.03955	0.1
89.86996	0.1
90.37328	0.1
95.01376	1.8
95.04987	0.1
98.19868	0.2
99.00880	0.1
101.02427	0.7
104.02692	0.2
105.03436	0.6
107.01369	0.7
107.05045	0.1
109.02953	0.2
113.02434	8.9
114.02766	0.1
115.01861	0.3
117.03467	0.7
119.03498	0.3
121.02968	0.2
123.04507	1.0
132.02151	2.4
133.02937	29.4
134.03648	0.7
135.04506	10.7
136.04820	0.3
137.02486	0.1
143.03458	0.3
148.01665	0.1
149.02419	0.5
151.00349	1.7
153.05547	0.8
160.01697	0.1
161.02419	78.0
162.02762	2.0
175.03969	0.7
177.01822	0.1
179.03465	2.3
183.04494	0.2
183.06160	0.1
185.06136	0.1
188.04736	0.1
197.05913	0.1
199.03938	0.6
200.04807	0.1
201.01913	0.2
211.03915	0.4
212.04697	0.2
213.05537	0.1
217.05008	0.3
223.03870	0.1
227.03516	0.4
233.04495	0.1
238.35764	0.1
239.03531	0.1
241.04909	0.2
243.02882	0.3
255.02994	0.2
256.03677	1.3
257.04675	0.2
259.42300	0.1
269.04440	0.1
283.02252	0.1
284.03207	21.2
285.03983	37.7
286.04352	1.5
297.04248	0.2
297.09732	0.4
299.05557	0.1
315.10806	1.4
327.05161	0.5
447.09244	21.4
448.09558	1.4
461.16568	4.3
461.23135	0.2
462.16858	0.2
477.14026	0.3
593.15265	0.7
621.18176	0.1
623.19678	100.0
624.20013	8.2
890.21875	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	1072.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	0.3
85.02934	4.8
87.00844	0.3
89.02439	2.7
89.03957	0.2
91.05493	0.2
93.03461	0.5
95.01378	2.3
95.05009	0.7
97.02950	0.3
99.00925	0.3
101.02429	2.2
104.02669	0.6
105.03454	0.9
109.02876	0.3
111.00864	1.5
113.02432	12.0
114.02747	0.2
115.01849	0.4
117.03465	1.1
119.03484	0.7
119.05003	1.3
121.02939	2.9
123.04521	2.1
127.03970	0.3
132.02148	4.9
133.02937	44.9
134.03589	0.9
135.04507	17.2
136.04865	0.4
137.06018	0.3
139.00363	1.9
143.03510	0.6
147.04514	1.3
149.02422	2.2
153.05545	2.2
160.01591	1.1
161.02422	100.0
162.02754	3.0
163.03987	0.3
165.05504	0.5
173.02484	1.0
175.04008	1.2
177.05612	0.2
179.03477	3.8
181.22955	0.2
191.03462	1.2
193.04964	0.3
203.03458	0.3
223.06126	0.3
246.38986	0.2
297.09802	0.7
315.10815	2.2
317.18442	0.2
323.07654	0.5
385.16129	0.2
443.15469	0.9
461.16583	10.2
462.16882	0.7
605.18604	0.8
623.19647	5.5
624.20087	0.5
635.19293	0.2
649.17908	0.2
665.20752	2.3
666.21381	0.3
745.22888	2.6
746.22797	0.4
777.22284	1.2
778.22522	0.4
797.22980	0.8
811.24274	0.7
815.24249	1.5
816.23718	0.3
829.25745	0.5
834.44861	0.2
847.27808	4.7
848.28131	0.6
939.15314	0.2
977.28442	0.6
1009.31781	73.8
1010.32117	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	1073.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
77.26437	0.2
78.95897	1.7
83.01389	0.7
85.02944	5.4
87.00839	0.3
89.02434	4.7
91.99627	0.3
93.03436	0.4
95.01382	2.2
96.96972	0.5
99.04509	4.1
99.49792	0.3
100.50555	0.3
101.02425	3.3
104.02708	0.5
104.89079	0.3
105.03457	0.7
109.06564	0.6
113.02438	11.1
117.03421	0.6
119.03515	1.2
123.04507	1.2
131.03516	0.4
132.02170	2.1
133.02939	28.2
134.03525	0.4
135.04510	11.8
143.03522	0.4
153.05553	1.0
161.02422	81.1
162.02751	2.3
165.12811	2.8
171.23007	0.3
179.03471	2.8
179.05049	0.4
189.12791	0.8
191.10693	0.3
194.20470	0.3
207.13855	6.6
209.11795	17.1
210.12112	0.5
225.14929	4.7
228.82240	0.3
233.12032	0.3
251.12903	4.0
251.64700	0.3
269.13892	36.8
270.14200	1.3
297.09677	0.5
315.10562	1.4
416.30093	0.4
449.20224	100.0
450.14426	0.2
450.20523	5.3
461.16516	5.0
527.68781	0.3
623.19708	89.3
624.19977	8.6
625.20264	0.4
627.66547	0.4
937.15912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00887	0.6
83.01392	2.5
83.54051	0.4
85.02944	13.5
87.00865	5.1
89.02434	100.0
93.03438	0.5
95.01369	6.1
99.00866	0.6
101.02435	45.8
102.02764	0.6
107.03436	0.5
108.02182	1.0
109.02948	7.8
113.02438	38.8
114.02776	0.5
119.03490	43.1
121.02946	1.4
122.03757	1.2
123.04543	0.9
125.02431	1.6
131.03485	5.4
133.08118	0.4
136.01651	4.7
137.02325	0.7
139.35033	0.5
143.03485	16.1
145.02950	1.8
146.03734	3.3
147.04500	0.7
149.02455	1.1
149.04544	5.0
150.03227	1.8
151.04001	3.4
158.03706	1.4
159.04416	0.8
160.05327	0.7
161.02408	1.0
161.04547	19.9
161.06004	1.4
163.04077	0.9
164.04770	1.8
165.05560	1.5
171.04462	0.5
172.05305	1.4
173.04636	0.6
173.06041	1.9
174.03174	0.8
175.04007	3.9
176.04739	3.7
177.57346	0.5
179.05594	86.4
179.07016	4.9
180.04286	0.9
180.05943	1.5
187.03967	1.5
188.04694	1.1
189.05556	3.0
190.06293	2.2
191.07115	5.9
193.05006	1.1
195.06599	3.2
202.06413	0.6
203.07036	0.5
205.08653	0.6
223.07582	0.8
239.07108	1.5
250.06194	0.8
251.07133	4.1
261.05405	0.8
263.07050	0.9
266.05789	2.7
266.09424	1.2
267.06570	6.9
268.06946	0.8
278.05853	0.8
278.09433	0.6
279.06570	5.4
280.07358	0.6
281.08142	8.0
282.08942	4.8
283.09515	0.5
293.08087	0.9
294.08978	3.6
295.09528	0.7
296.10495	5.6
297.07809	1.8
297.11206	11.8
298.11630	0.7
309.07928	0.8
309.11365	1.5
312.09921	8.0
313.10349	0.6
324.10043	2.0
327.12314	57.1
328.12653	2.8
339.12329	11.2
345.13364	2.0
357.13385	22.0
358.13766	1.0
360.11890	0.5
366.10861	0.5
375.14395	13.4
376.15082	0.7
487.13116	0.6
519.18573	0.9
537.19775	18.2
538.20001	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	1075.6705
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00862	1.3
75.73895	0.2
83.01365	0.4
83.05037	0.1
85.02943	1.2
87.00858	0.3
89.02424	1.1
93.03438	0.4
95.01389	0.6
96.95947	0.2
97.02943	0.4
97.06552	0.2
101.02425	4.2
108.02186	0.3
113.02430	3.4
117.03455	8.2
118.03799	0.2
119.03657	0.3
119.05010	10.9
121.02940	25.0
122.03284	0.6
123.04545	0.2
125.02426	0.4
125.06078	0.2
127.07649	0.3
131.03496	0.4
133.02913	0.2
135.04498	0.4
136.67361	0.1
139.07672	0.2
143.03479	0.8
145.02933	30.7
146.03311	0.8
161.04565	1.1
162.03198	0.3
163.03958	2.1
174.96936	0.1
181.05023	0.7
217.54218	0.2
233.22807	0.2
257.22601	0.3
259.20700	0.4
261.22113	0.2
264.34259	0.2
273.22192	0.7
275.20154	0.2
277.21667	100.0
278.21997	5.1
287.23672	0.5
291.23254	3.2
292.23459	0.2
301.21704	2.8
303.23184	0.5
319.22726	13.3
320.23175	0.5
331.22723	1.8
349.23788	4.2
350.23923	0.2
373.23834	0.9
421.25946	0.2
453.33600	1.9
469.32980	0.3
471.34879	0.8
497.32632	8.7
498.32895	0.7
513.36151	0.3
573.39124	0.5
617.38361	46.5
618.38690	5.5
635.39429	19.6
636.39801	2.5
750.76624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03429	0.7
83.01381	1.4
85.02943	3.8
87.00880	0.8
89.02434	3.5
89.03967	1.0
93.03438	2.2
95.01377	2.7
95.05019	1.4
96.96000	0.9
97.02942	1.0
99.00881	1.1
101.02427	7.2
101.03072	0.4
103.04005	0.5
104.02695	0.6
105.03452	1.3
108.02177	0.6
111.00877	4.8
113.02438	8.9
117.03451	46.8
118.03788	0.9
119.03522	1.3
119.05009	14.3
120.05296	0.4
121.02939	7.1
123.04509	7.1
125.02444	2.5
127.03999	0.9
131.03505	0.3
132.02145	5.1
133.02939	46.7
134.03720	1.3
135.04503	18.2
136.04831	0.4
137.02330	0.3
137.06061	0.9
139.00345	5.5
139.04016	0.3
143.03474	0.8
145.02933	100.0
146.03273	3.3
147.04526	2.2
149.02409	7.4
153.01939	0.3
153.05550	6.8
155.03439	1.4
159.04456	0.3
160.01640	1.0
161.02419	99.0
162.02765	2.8
163.03986	9.1
165.05423	0.4
173.02435	0.8
175.03975	1.2
177.05496	0.4
177.17592	0.3
179.03476	2.9
179.05054	0.3
179.05608	0.3
179.07112	0.4
187.03998	0.7
191.03496	2.1
192.67390	0.3
193.04971	0.5
203.03505	0.6
203.05606	1.0
205.01408	0.8
205.04976	0.9
223.06090	1.1
281.10327	0.8
297.09784	1.6
299.11420	0.4
315.10867	2.2
323.07852	0.6
357.11902	0.9
403.12244	0.4
414.60455	0.3
443.15408	0.8
445.16852	1.6
461.16629	5.4
462.16769	0.3
485.16711	0.8
487.18158	1.8
488.18503	0.4
503.17612	10.4
504.17728	0.6
607.20178	0.6
631.20270	3.7
632.20569	0.4
649.21295	40.5
650.21588	3.6
663.22919	0.7
691.22266	10.0
691.34149	0.6
692.22656	0.9
693.13641	0.3
711.24908	0.6
719.22168	0.3
727.24158	0.5
743.22614	0.4
771.24475	9.3
772.24640	1.1
803.23853	9.9
804.24615	1.1
811.26910	1.2
822.13086	0.3
823.24274	1.5
827.27551	0.5
837.26239	1.7
841.25549	4.3
842.25397	0.4
855.27069	1.8
857.29059	0.5
873.28784	4.0
874.29370	0.8
889.29779	5.6
890.30029	0.6
933.29260	0.7
965.29413	0.4
993.32080	1.9
1003.30200	1.4
1035.33350	83.0
1036.33569	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	108.0217
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
61.75913	1.2
67.01875	2.4
67.03024	1.7
71.46748	1.3
71.60147	1.6
108.02162	100.0
108.04559	3.5
109.02969	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1080.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03967	0.6
81.03452	0.2
83.01402	0.3
84.04544	2.1
85.02940	5.8
87.00854	0.7
89.02444	1.0
89.03969	0.7
91.05534	0.6
93.03437	1.0
95.01373	2.3
95.04999	0.3
96.95994	2.1
97.02937	0.2
99.00857	0.5
100.04044	0.3
101.02437	0.7
104.02676	0.5
105.03458	0.7
106.04238	0.9
107.05020	1.6
108.02168	0.4
108.26808	0.2
109.02948	1.9
110.06096	0.9
111.00877	0.6
112.98856	0.2
113.02431	10.6
115.01853	0.6
117.03464	1.7
119.05029	0.5
121.02933	2.3
122.03737	0.2
123.04510	0.3
123.08452	0.2
124.01667	0.5
125.02360	0.2
129.01929	0.4
132.02148	3.9
133.02942	45.1
134.03738	17.7
134.04514	0.2
134.04828	0.3
135.04507	100.0
136.04839	2.5
137.02422	6.3
137.03477	0.3
137.06062	1.8
138.03181	0.6
139.03995	1.9
141.01874	0.2
143.03503	0.4
145.02930	0.7
146.06099	0.5
147.04478	0.4
149.02422	2.2
149.06065	0.6
150.03220	1.1
151.03952	0.9
152.03589	0.3
154.05086	0.5
157.05022	0.6
159.04514	0.4
160.01648	0.8
161.02420	74.7
162.02776	1.9
163.03967	0.3
165.01926	1.1
166.02660	0.7
168.06682	0.3
171.04485	1.0
173.02415	0.3
173.05940	0.3
174.03223	0.3
175.03973	1.1
177.05602	0.4
178.02699	8.1
178.08646	0.4
178.79356	0.2
179.03468	95.5
180.03821	2.3
181.05006	0.9
185.06076	0.4
186.07664	0.8
187.03998	0.7
187.06087	2.1
193.05000	2.4
194.02165	0.5
197.05994	0.4
199.03972	2.1
200.04718	0.6
201.05551	0.6
203.03494	1.6
217.04997	0.4
223.03928	0.3
224.04811	0.3
225.05533	1.4
233.04460	1.2
241.05069	0.3
242.04440	0.3
243.02950	0.5
244.03998	0.2
245.04390	0.5
251.03462	1.6
251.05591	0.5
252.06520	0.3
253.04982	0.3
258.05289	0.4
266.04562	0.8
266.08084	0.2
267.05228	0.4
268.06070	0.5
276.06546	0.5
278.05042	0.3
278.08066	0.4
280.06204	0.6
283.04935	1.4
284.05557	2.7
285.06146	0.3
290.08322	0.2
292.09863	0.3
293.03238	0.4
294.04080	0.9
294.07657	1.4
294.10651	0.3
296.05719	0.4
298.07211	1.0
299.07858	0.8
304.06082	1.9
305.06723	0.3
307.08450	0.6
308.05872	0.4
308.09052	1.2
309.09793	0.4
310.07080	0.7
310.10742	1.2
311.08047	0.4
312.08932	0.2
318.11255	0.3
320.09293	0.3
320.12802	0.3
323.07632	0.4
325.09290	0.5
326.06662	8.3
326.10037	0.3
327.07260	1.0
334.07019	0.3
335.07928	0.5
336.08722	6.3
337.09219	0.7
338.10153	0.3
340.08328	1.1
341.08820	0.3
346.10703	1.3
350.10214	0.4
353.08780	0.5
354.09579	1.1
355.10468	0.5
363.08701	0.9
368.11304	1.2
369.12024	0.4
378.13757	0.4
380.07635	3.4
381.08261	0.9
382.09045	1.1
395.10184	0.4
397.11777	0.3
412.10278	3.6
413.10919	1.5
422.12363	2.6
426.11588	0.4
427.12582	1.5
428.17694	1.1
440.13330	0.3
474.15314	0.4
485.12967	2.8
486.13141	0.3
487.14490	10.3
488.14999	0.7
489.16010	0.6
498.13025	0.3
513.16034	1.6
560.19147	2.2
565.19458	1.6
566.20148	1.1
623.20654	0.2
651.19214	45.0
652.19543	4.2
694.23474	0.7
738.26324	0.6
748.24310	3.1
749.24127	0.5
780.27051	29.3
781.27405	3.4
814.25946	1.9
815.25635	0.3
886.31335	4.6
887.31543	0.7
900.29675	0.7
910.27875	0.8
918.33868	30.8
919.34167	3.7
942.30151	5.4
942.45459	0.2
943.30139	0.8
1048.34534	2.2
1049.34509	0.3
1062.36951	0.5
1080.36987	24.1
1081.37183	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	1081.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
81.61262	1.0
83.01360	1.4
83.04996	1.1
85.02945	8.1
89.02437	14.3
93.01897	0.8
93.03448	16.5
95.01385	5.2
95.05007	3.1
98.20616	1.8
99.00877	1.1
99.04507	1.4
101.02435	17.1
107.04996	2.8
109.02934	2.1
111.00871	29.6
111.04494	13.5
113.02444	13.6
119.03472	3.2
119.04993	3.8
121.02911	3.4
123.04492	1.4
125.02396	0.9
127.04004	11.3
135.04506	10.3
137.02414	11.7
137.06067	1.5
138.02840	0.9
139.00351	18.4
143.03423	1.1
147.04500	0.8
149.02385	3.1
151.07625	2.3
153.05556	7.9
161.02417	3.3
161.04504	2.1
163.03970	10.0
165.01936	4.4
171.02899	1.6
177.05580	1.8
179.03462	4.8
179.05550	3.2
195.06583	13.0
207.02898	3.4
221.04437	1.2
239.05563	3.4
273.07657	16.8
275.05637	13.4
275.08759	1.1
287.08847	1.4
307.08176	55.5
308.08566	3.3
315.08673	16.7
333.09708	9.1
343.08157	1.6
352.62280	0.8
357.09833	1.6
361.09024	1.0
375.10715	7.1
377.12180	1.4
378.12537	1.1
397.21936	1.4
403.10303	1.5
435.12933	37.0
436.13162	2.6
439.23276	6.0
461.12833	1.5
483.18869	1.1
537.15741	1.0
539.17212	2.4
540.17816	2.6
541.18292	3.1
597.18164	100.0
598.18475	8.5
600.84558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01369	0.4
85.02938	0.2
89.02422	0.1
95.01385	0.1
101.02428	0.1
105.03427	0.2
107.00690	0.1
107.01378	1.3
113.02435	0.5
114.97637	0.0
117.03418	0.0
119.04940	0.0
121.02913	0.3
123.04472	0.1
132.02156	0.6
133.02934	6.7
134.03651	0.3
135.04482	0.5
141.07120	0.1
143.04958	0.1
147.04480	0.1
149.02419	1.3
149.06108	0.1
149.48569	0.1
151.00346	4.0
152.00716	0.1
153.05533	0.2
160.01640	1.4
161.02428	1.6
163.03874	0.1
169.06577	0.1
171.04472	0.2
173.05963	0.1
175.03981	4.0
176.04408	0.1
177.01801	0.1
179.03488	0.1
183.04523	0.0
185.06053	0.2
189.05493	0.1
193.05037	0.3
195.04407	0.1
197.06030	0.3
198.03152	0.3
199.03970	2.1
201.01921	0.8
211.03975	0.1
212.04655	0.1
213.05481	0.5
215.03485	0.4
217.05005	1.4
223.04033	0.3
226.02681	0.1
229.04974	0.2
239.03329	0.1
240.04243	0.1
241.04999	0.9
242.02185	0.1
243.00735	0.1
243.02988	0.7
249.06284	0.1
256.03751	0.2
257.04510	0.4
267.02869	0.3
268.03778	0.1
269.04431	0.1
281.04501	0.1
284.03238	0.6
285.03995	100.0
286.04321	4.2
327.05148	0.1
397.11411	0.2
447.09244	19.5
448.09534	1.1
450.34641	0.1
461.16492	0.4
491.15894	0.1
565.15918	0.2
637.21252	4.3
638.21588	0.4
654.13086	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	109.0294
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
65.03957	2.5
66.03481	1.2
67.01882	100.0
68.02223	2.9
70.15029	1.9
70.15437	2.5
81.03443	6.1
91.01852	1.1
108.02151	3.1
109.02943	63.3
110.03297	3.0
124.70381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6465
Annotation	Unknow
Peak:m/z	Relative Intensity
76.15073	0.1
78.95894	7.3
83.05023	0.2
91.25970	0.1
96.96971	0.1
105.66323	0.1
108.18610	0.1
113.06102	0.1
122.98546	0.1
127.07623	0.2
152.99568	1.8
168.04291	1.6
205.19540	0.2
224.06870	1.1
233.22722	0.6
242.05438	0.2
242.07953	3.2
259.20596	0.6
275.20035	0.5
277.21677	100.0
278.22018	4.9
293.38196	0.1
302.38126	0.1
431.21890	0.1
502.29318	98.0
503.29657	6.6
517.25543	0.8
536.25848	0.1
576.32996	4.9
577.33240	0.3
793.30981	0.1
931.37201	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	1093.6461
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	18.0
83.04974	0.1
88.29315	0.1
92.28704	0.1
96.96940	0.2
122.98533	0.3
152.99557	3.1
161.02354	0.2
168.04297	2.6
183.73094	0.1
194.05843	0.1
209.79346	0.1
224.06898	7.9
225.07201	0.2
233.22800	0.3
242.07979	1.9
259.20554	0.5
269.45126	0.2
275.20148	0.4
277.21677	69.9
278.18939	0.2
278.22015	3.3
413.20966	0.1
431.22125	0.2
493.76740	0.2
502.29333	100.0
503.29678	7.0
505.50720	0.1
517.25757	0.7
576.33014	4.3
577.33746	0.3
649.82831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03447	0.3
83.01385	0.5
85.02943	2.2
87.00874	0.5
89.02440	1.5
89.03983	1.0
93.03451	0.9
95.01369	1.7
95.05041	0.7
97.02934	0.6
99.00862	0.6
101.02426	2.8
104.02663	0.4
105.03448	1.1
107.05024	0.3
111.00850	1.4
113.02431	4.8
115.01878	0.8
116.20691	0.2
117.03451	4.6
119.03437	0.3
119.05021	2.1
121.02962	2.9
123.04501	2.8
125.02403	1.3
127.03988	0.5
132.02159	6.5
133.02942	49.6
134.03639	1.4
135.04507	16.8
136.04808	0.6
137.02393	0.4
138.42715	0.3
138.84259	0.3
139.00342	1.7
143.03487	0.5
145.02942	8.0
146.03284	0.8
147.04510	0.7
149.02446	1.9
153.05534	1.5
155.03503	0.9
160.01688	0.9
161.02425	100.0
162.02756	3.3
163.03998	1.2
165.01906	0.4
172.39810	0.3
173.02408	0.8
175.03996	1.0
179.03476	3.9
191.03482	1.0
193.05087	0.3
199.77281	0.3
203.03549	0.4
203.05507	0.6
223.06079	0.3
249.04741	0.2
297.09860	1.3
315.10779	2.0
323.07562	0.6
357.11740	0.6
443.15234	0.6
461.16592	4.3
462.16431	0.3
487.15955	1.6
488.16238	0.5
503.17712	6.2
504.17871	0.6
623.19836	0.5
633.21954	4.1
647.19788	1.3
665.20905	6.5
666.21625	0.4
691.18762	0.3
695.22632	0.3
707.21667	5.1
727.24713	0.4
787.23901	3.8
788.24719	0.4
796.70953	0.3
819.23236	2.1
827.26367	0.6
839.23822	0.6
853.25726	1.0
857.24731	1.6
871.27094	0.8
889.29285	5.0
890.30237	0.7
1009.31860	1.6
1019.30273	0.5
1051.32874	57.6
1052.33081	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	1097.6759
Annotation	Unknow
Peak:m/z	Relative Intensity
77.27003	0.1
78.95892	6.0
78.98579	1.3
79.95259	0.2
79.95724	3.1
79.98956	0.1
80.96504	17.5
81.03457	0.2
81.96468	0.2
82.96088	0.5
83.01396	0.1
85.02933	0.7
87.00855	0.7
94.98072	4.6
96.95991	0.3
96.96951	0.2
96.97625	0.1
97.02952	0.5
101.02431	0.8
106.98080	1.0
113.02427	0.1
122.97561	1.3
122.98386	0.2
125.02414	1.0
126.02764	0.1
126.81107	0.1
127.03958	0.2
130.48567	0.1
134.97565	1.3
136.99071	0.5
148.99127	2.1
149.99393	0.1
152.98587	1.9
152.99596	1.2
164.98592	3.5
165.98936	0.4
168.04298	1.4
182.99673	0.5
188.98552	0.2
206.99680	0.9
207.99954	0.2
224.06883	1.0
225.00699	7.2
226.01077	1.1
227.00456	0.3
242.07941	2.4
243.01697	0.6
244.01979	0.1
261.22195	0.5
277.21707	0.9
278.22031	0.5
279.23230	100.0
280.23569	5.0
299.04327	1.2
300.04617	0.2
317.05417	0.1
347.27539	0.1
393.77689	0.1
450.68509	0.1
504.30865	79.4
505.31204	5.4
505.38754	0.2
519.27087	0.8
577.26758	27.7
578.26984	29.3
578.34729	3.2
579.26984	3.3
579.34967	0.3
837.71991	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
76.42487	0.8
81.03453	2.0
83.01373	2.5
83.05013	3.8
84.02123	0.8
85.02945	18.7
87.00860	3.8
89.02435	56.3
91.05527	2.2
93.03445	50.3
94.03759	1.0
95.01377	8.2
95.05000	1.0
96.95965	0.9
97.02955	1.6
99.00865	2.6
99.04509	2.1
101.02431	49.4
102.02772	0.9
107.05016	14.6
109.02901	3.7
109.86429	0.7
111.00867	56.4
111.04504	19.4
112.01170	1.1
113.02437	26.8
117.03464	3.6
119.03496	25.2
119.04959	8.3
121.02949	9.0
123.04505	2.3
125.02429	3.3
125.06050	2.2
127.04003	19.6
131.03484	4.4
133.02925	4.1
134.03709	2.9
135.04510	46.3
136.01682	0.8
136.04834	0.9
137.02431	35.7
137.06058	2.4
139.00362	46.6
143.03453	8.9
145.02931	4.8
146.03700	1.3
147.04453	1.4
149.02477	1.5
149.04543	3.4
149.06055	3.4
150.03246	1.1
151.03976	3.4
151.07526	2.1
153.01909	3.3
153.05547	18.1
156.66913	0.7
159.04520	2.7
161.02435	7.6
161.04559	9.4
161.05893	1.3
162.03279	1.2
163.03981	24.6
164.04500	1.2
165.01903	15.5
165.05548	1.9
167.07162	1.0
171.02902	1.5
175.04027	1.3
177.05583	7.4
179.03477	11.0
179.05571	40.0
180.04053	0.8
181.05016	2.1
189.01920	4.1
193.05045	4.0
195.04779	1.8
195.06589	31.7
205.04857	0.9
207.02974	7.7
219.06450	1.2
221.04538	4.2
239.05533	15.6
253.05148	1.6
279.06543	1.2
281.06506	11.0
282.09003	0.8
299.07730	1.8
305.08136	2.9
307.09479	1.0
320.10382	2.5
333.08261	1.5
368.05600	0.8
401.11060	1.0
409.10608	0.8
410.11972	1.0
417.13800	1.1
427.11795	7.7
428.11969	1.4
442.14127	14.5
443.14731	0.8
457.16519	17.2
458.16760	1.7
460.15167	1.9
461.12906	14.6
462.12927	0.9
470.13651	0.9
471.14297	1.4
475.17554	11.0
483.14380	2.4
486.12646	1.1
501.15652	3.1
517.18567	9.0
595.19611	21.3
596.20001	2.2
597.17657	7.3
609.21234	1.7
621.20911	1.8
629.20184	100.0
630.20441	10.2
637.20764	42.9
638.21204	6.1
647.20490	0.8
655.21796	13.6
656.22107	1.3
665.20172	4.2
669.22662	1.1
679.22076	7.5
680.21533	1.1
683.21069	2.9
697.22839	14.3
698.23444	1.7
707.21173	0.9
715.23590	1.1
725.22858	6.5
757.24774	14.8
758.25226	2.1
775.26074	10.6
776.26196	1.4
777.23859	8.0
791.25446	2.2
809.26520	45.2
810.27228	5.5
817.26904	18.3
818.26953	3.9
835.28485	1.9
845.26855	1.4
859.27734	3.3
877.28815	4.1
878.29718	1.1
887.27417	0.9
919.30200	91.7
920.30432	15.3
937.31714	3.6
1089.44299	1.0
1099.36292	23.4
1100.37708	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	1105.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03439	0.6
83.01377	0.6
83.05011	0.4
85.02941	5.1
87.00866	0.5
89.02428	2.2
91.05505	1.7
92.99825	0.5
93.03445	6.3
95.01382	2.7
95.05018	3.1
97.02928	0.6
98.19805	0.5
99.00873	0.8
99.04495	1.3
101.02431	40.2
102.02807	0.4
106.04224	0.6
107.05013	2.0
108.02135	0.3
109.02941	0.8
111.00867	23.9
111.04494	2.0
112.01182	0.4
113.02438	1.2
117.03458	0.8
119.03613	1.3
119.05014	9.7
120.05424	0.3
121.02940	5.8
121.06625	0.4
123.00900	0.4
123.04509	0.7
125.02421	4.3
125.06042	1.8
127.03997	20.0
133.02936	1.1
134.03670	0.6
135.04512	3.8
136.01643	0.5
136.05261	0.4
137.02419	1.9
137.05066	0.4
137.06064	6.5
138.99272	0.5
139.00357	11.0
139.03998	4.4
143.03471	3.9
145.02989	0.7
145.85770	0.2
149.02390	0.7
149.06070	0.9
151.04002	1.5
151.07619	14.6
152.03516	0.3
152.07979	0.4
153.01927	4.8
153.05539	2.7
159.04420	0.3
161.02420	3.2
161.04655	0.3
161.06088	0.3
163.03987	5.6
165.05515	0.5
167.07100	0.4
171.02968	8.0
172.03320	0.4
175.04034	0.3
177.05573	1.3
179.03481	12.3
179.05508	1.1
179.06981	0.5
179.21152	0.2
180.03775	0.3
181.05057	0.5
189.01912	3.8
189.05554	0.3
191.03374	0.2
193.05048	0.7
195.06598	11.0
207.02942	1.0
221.04489	1.9
223.06129	1.3
231.06525	0.5
239.05617	1.7
244.96909	0.2
257.08136	4.3
259.05984	0.6
259.09717	10.3
260.09952	0.5
261.61588	0.3
275.09241	2.4
291.08698	100.0
292.09015	4.6
315.12332	16.4
316.12573	0.9
317.10245	22.6
318.10535	1.0
319.93420	0.3
327.08533	1.8
329.10416	0.4
359.11301	15.4
360.11603	0.9
361.12863	33.2
362.13113	1.9
387.10657	0.4
401.12241	0.3
403.12341	0.4
419.13409	38.4
420.13782	2.5
461.13431	0.3
521.16559	0.8
523.18127	8.1
524.18591	0.8
581.18677	9.9
582.18976	0.8
1083.22107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.7333
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	0.2
89.03978	0.4
114.98708	0.2
117.03455	17.2
118.03796	0.6
119.05013	6.6
120.05341	0.2
121.02921	0.9
123.04486	0.4
133.02919	0.2
145.02936	45.8
146.03268	1.3
152.99582	0.4
162.03236	0.2
163.03992	4.7
170.09990	0.2
194.79431	0.2
271.27142	0.2
298.60129	0.2
391.30032	0.5
407.33566	1.2
423.32782	0.3
425.34332	0.5
441.33667	0.5
451.32227	0.5
453.33612	0.7
469.33130	0.6
471.34729	18.3
472.35236	1.5
513.32379	0.4
571.37573	0.7
589.38947	3.1
590.39502	0.5
615.36865	2.5
616.36902	0.3
633.37860	100.0
634.38202	12.3
635.38306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.5877
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95889	35.2
91.29254	0.1
96.96944	6.2
97.01100	0.1
98.19840	0.2
119.72974	0.1
125.17635	0.1
132.21454	0.1
148.68611	0.1
150.98003	0.8
152.99561	48.2
153.99879	0.5
171.00629	1.4
204.99091	0.1
212.68065	0.1
223.00082	7.4
224.00429	0.2
233.22701	0.3
241.01143	14.0
242.01456	0.2
259.02216	0.9
259.20544	0.3
275.20029	0.3
277.21658	29.4
278.22003	1.7
303.81592	0.1
315.04810	5.7
316.05191	0.1
333.05814	0.6
454.76535	0.1
593.27179	100.0
594.27533	9.1
711.87030	0.1
737.18298	0.1
1112.64270	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	1110.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
77.41924	0.1
78.95895	41.7
82.91473	0.2
83.05017	0.2
96.96948	6.8
102.42623	0.1
104.07562	0.1
104.08306	0.2
133.02921	0.2
135.04459	0.1
150.98032	0.8
152.99570	52.5
153.99905	0.4
161.02440	0.3
169.49010	0.1
171.00630	1.7
191.97849	0.2
195.14127	0.2
195.75700	0.1
223.00104	7.8
233.22755	0.3
241.01155	14.9
242.01555	0.4
259.02264	1.0
259.20572	0.2
275.20044	0.3
277.21680	29.1
278.22101	1.8
315.04831	5.4
333.05865	0.6
341.03400	0.2
457.33008	0.4
458.33722	0.2
550.14307	0.2
593.27234	100.0
594.27557	8.6
594.41742	0.2
762.41516	0.2
962.12634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.6774
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	3.2
85.02942	11.7
86.00085	0.5
87.00872	1.0
88.95695	0.1
89.02430	2.3
93.03429	0.2
95.01379	2.1
96.95999	1.5
97.02956	0.9
99.00877	3.6
101.02434	15.2
102.02755	0.3
108.02027	0.1
111.00871	0.8
111.08198	0.1
112.01682	0.2
113.02436	9.2
119.05070	0.2
121.02939	0.2
125.02415	0.7
127.04031	0.1
129.01912	0.6
131.03477	0.7
133.02917	0.2
134.03714	0.4
135.04501	0.5
137.02374	0.2
139.00357	0.2
143.03497	0.8
149.02422	0.2
149.04413	0.2
150.03262	0.3
159.02986	1.9
161.02373	0.6
161.04533	6.2
161.46582	0.2
165.05565	0.3
176.21198	0.1
179.03503	0.2
183.13867	5.1
184.14345	0.2
191.05557	0.5
193.05107	0.3
195.06584	0.4
195.13870	4.1
196.14343	0.2
205.03511	0.2
213.14929	30.4
214.15250	1.3
230.09857	0.2
327.21878	0.3
487.23373	0.1
603.42584	3.8
604.42877	0.4
633.40509	0.2
647.41705	0.5
765.47827	17.2
766.48096	2.2
809.46790	2.3
810.47437	0.3
821.78973	0.2
897.52063	100.0
898.52362	16.0
1111.47095	0.5
1112.44751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1112.6034
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95894	62.0
82.77770	0.1
96.96952	7.8
137.78394	0.1
141.32698	0.1
150.83084	0.1
150.97997	2.2
152.99567	100.0
153.99873	1.3
155.00035	0.2
158.38837	0.1
161.02412	0.2
164.99538	0.2
171.00624	3.3
181.81952	0.1
206.03194	0.1
213.98317	0.1
223.00081	0.3
225.01659	4.8
233.22789	0.2
238.28770	0.1
241.01219	0.9
243.02716	4.9
259.20560	0.2
261.03812	0.3
275.20154	0.2
277.21677	14.9
278.21967	1.9
279.22241	0.3
315.04959	0.3
317.06390	5.8
318.06573	0.3
335.07330	0.3
407.07315	0.2
431.21844	1.2
432.79416	0.1
593.27240	2.2
594.27679	3.2
595.28772	94.3
596.29095	8.0
780.57880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	0.3
83.01377	3.0
85.02516	0.1
85.02940	7.3
87.00855	1.1
89.02435	10.4
95.01379	2.5
97.02919	1.2
99.00867	1.3
99.04484	0.2
101.02431	14.4
101.83978	0.1
108.57533	0.1
111.00870	0.3
113.02436	17.4
114.02791	0.3
119.02637	0.3
119.03513	5.0
119.05004	9.2
120.03898	0.2
120.05342	0.1
121.02956	0.5
125.02438	2.4
127.04037	0.3
131.03485	0.9
133.02963	0.5
137.06078	1.2
139.00343	0.2
143.03477	1.8
149.04510	0.8
155.03493	1.9
161.02470	1.3
161.04529	2.8
179.05576	3.0
189.42220	0.1
203.05574	3.2
205.42728	0.1
223.06235	0.2
281.10269	3.7
282.10596	0.3
299.11301	4.2
300.11761	0.2
341.12329	5.6
342.12726	0.2
403.12515	0.8
443.15475	2.6
461.16571	16.2
462.17068	0.9
486.24686	0.2
503.17618	100.0
504.17957	7.2
529.15466	1.1
547.16882	0.4
607.11108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	1.0
85.02921	3.3
93.03447	15.9
95.01360	1.2
95.05021	1.4
96.96000	3.3
97.02946	0.7
99.00872	1.3
101.02448	5.1
105.03430	0.8
107.05026	1.2
108.02205	1.2
109.02950	2.0
111.00864	1.3
113.02438	3.1
117.03480	1.3
119.05023	1.9
119.77332	0.6
121.02942	72.2
122.03745	21.1
123.00934	0.7
123.04520	1.2
124.01669	1.2
125.02386	0.9
132.02127	0.9
133.02940	3.9
133.06570	1.3
134.03706	3.1
135.04478	6.8
136.01654	7.4
137.02458	3.9
138.03261	1.0
143.03490	0.7
145.02946	1.6
146.03761	0.8
147.04482	5.5
148.05281	1.2
149.02422	35.0
149.06062	1.3
150.03204	100.0
151.04008	8.3
153.05559	1.6
158.03683	0.8
159.04483	1.6
160.01643	1.7
160.05240	1.1
161.02399	2.4
161.04562	1.5
161.06082	2.0
162.03221	3.0
162.06821	1.4
163.03964	3.6
164.04776	6.7
165.05545	81.0
166.05951	0.9
173.02406	4.1
174.03154	2.7
175.04015	2.2
176.04750	1.3
177.05531	2.9
179.03493	1.2
179.07083	1.2
180.04237	6.5
181.04906	0.9
188.04742	1.9
189.05556	3.0
190.06216	1.5
191.03468	2.9
191.07056	1.2
192.04167	0.8
193.04961	2.0
193.06528	0.8
194.05705	1.2
195.06590	32.7
201.01930	1.2
205.05020	2.6
206.05743	1.6
207.06528	2.3
209.06107	1.9
211.03917	1.1
213.14876	3.4
214.02672	0.9
214.15291	1.2
216.04062	0.9
217.04982	1.3
219.04539	0.8
220.03641	1.2
221.05945	1.9
225.05519	2.2
226.06313	0.9
229.05006	1.1
235.03958	1.3
236.04614	1.8
237.05484	2.4
238.04469	1.0
238.06473	1.7
239.07118	1.2
241.05103	0.8
247.03947	2.3
247.07680	1.1
248.04637	1.8
249.05495	3.0
250.06375	3.3
251.03444	1.8
251.07074	2.5
253.05048	2.6
253.08749	1.7
255.06593	1.7
261.05524	0.9
263.03452	3.0
263.06995	1.8
264.04041	1.7
264.08026	1.2
265.04953	3.4
266.05756	2.1
267.02942	1.6
267.06546	2.9
267.10181	2.8
269.04333	0.8
269.08191	1.1
275.03323	0.9
276.04126	2.5
277.05130	3.4
277.07669	0.8
278.05652	2.5
279.03098	1.8
279.06586	5.4
280.03806	1.6
280.07202	1.5
281.04593	3.2
281.08160	2.3
282.05270	4.8
283.06024	2.1
290.05768	0.8
291.06503	1.2
292.07297	2.4
293.04742	1.6
293.08179	2.7
294.05276	2.4
294.08893	1.8
295.06079	4.7
295.09695	8.9
296.06894	2.6
296.10376	5.0
297.04276	1.3
297.07544	8.6
298.08319	3.1
304.03662	1.8
305.04474	2.2
307.02588	0.8
307.06088	1.7
307.09390	0.9
308.03238	2.0
308.06760	1.2
309.04132	1.5
309.07660	4.2
309.11200	1.6
310.04779	1.5
310.08173	1.4
311.05756	1.2
311.09219	2.3
311.12714	1.4
312.09949	3.6
313.07132	1.1
313.10696	2.8
318.05447	1.4
319.05960	3.6
320.06781	1.6
321.07510	1.6
322.04694	3.8
322.08350	1.5
323.05511	5.8
323.09253	2.4
324.06281	3.7
324.10040	2.3
325.07028	2.5
325.10596	1.4
326.04373	0.9
326.07855	0.9
327.12296	5.3
335.05539	2.9
335.09167	0.9
336.06207	2.6
337.07104	11.9
338.04147	1.0
338.07867	8.0
339.08640	6.7
340.05725	0.8
340.09290	1.5
341.06552	2.3
341.10294	1.4
343.11734	0.8
350.07748	2.6
351.08643	3.2
352.09509	7.1
353.06512	8.6
353.10254	13.6
354.10974	1.8
355.08026	2.0
355.11890	1.4
356.08987	4.7
356.12598	79.7
357.09351	1.3
357.13235	9.8
365.10193	2.5
367.08051	1.4
368.08887	7.2
369.13535	1.3
370.10336	2.7
371.11063	12.6
371.14938	37.7
372.15500	1.8
379.08231	2.4
381.09241	0.9
382.06775	1.0
383.11288	34.0
384.11746	1.6
385.12469	1.0
393.09653	1.0
394.10440	2.0
395.07248	1.5
397.09177	2.2
398.10330	0.9
401.12280	1.3
402.11121	0.9
410.10083	2.0
412.11600	2.8
413.12460	11.4
414.12500	0.8
425.12393	34.2
426.12936	1.4
431.14951	2.0
443.13412	5.2
455.13574	3.9
460.15146	4.6
461.15524	1.1
467.13571	4.9
471.10602	1.0
475.17841	6.1
480.10889	0.9
481.11563	5.9
482.11716	1.4
484.10477	1.0
486.13110	1.2
487.13831	1.4
495.12796	2.8
496.13910	1.1
497.10486	3.6
499.12558	5.0
500.13190	1.4
501.15430	4.4
502.16052	0.9
505.18558	1.3
512.12762	1.1
514.14447	1.8
515.15527	18.9
516.15747	1.3
519.16571	13.0
520.16888	0.9
527.15546	33.9
528.15680	3.3
531.16333	4.2
545.16089	1.4
549.17627	54.3
550.17883	5.1
561.17383	2.7
567.18335	1.2
579.18561	3.2
591.18634	9.0
597.19635	14.4
598.19812	2.1
603.18640	12.3
604.18524	1.2
609.19354	2.1
615.18542	1.6
621.19989	1.0
633.19580	10.0
634.19800	0.9
639.20679	15.1
640.20825	1.5
645.19800	0.9
651.20770	10.7
652.20984	1.0
663.20599	7.4
675.20581	1.5
681.21729	10.0
693.21820	23.2
694.21716	1.6
711.22913	9.4
712.23047	1.5
723.22357	3.0
739.26593	1.0
741.23901	45.2
742.24182	5.9
765.47534	1.2
766.48010	2.0
841.24823	1.0
871.27820	2.2
885.29279	1.1
886.30975	2.5
887.31219	18.6
888.30908	1.7
897.51746	3.1
898.52435	12.7
899.31299	40.3
899.51648	4.4
900.31549	5.1
917.31750	3.4
949.46136	0.9
1035.36499	6.5
1065.38171	3.4
1083.38501	21.7
1083.61694	1.0
1084.39148	4.3
1095.38855	0.9
1113.39404	33.8
1114.39685	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	1113.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02932	1.7
88.12201	1.0
93.03451	15.7
95.05000	1.0
96.95997	4.6
101.02417	3.7
108.02156	1.2
109.02924	1.7
111.00855	1.9
113.02416	3.5
117.03383	1.0
119.05006	1.8
121.02943	72.9
122.03748	20.8
123.00870	0.9
123.04498	1.7
125.02412	1.0
132.02170	0.8
133.02943	4.4
133.06596	2.0
134.03705	3.5
135.04512	6.2
136.01634	8.2
137.02419	3.1
138.03204	1.2
145.03015	1.1
146.03694	1.8
147.04500	5.0
148.05173	1.3
149.02429	34.5
149.05952	1.2
150.03206	100.0
151.03998	10.6
153.05701	0.9
159.04482	2.4
160.01576	1.0
160.05229	1.1
161.02415	5.0
161.06020	2.0
162.03087	2.4
162.06857	1.2
163.03990	2.9
164.04738	5.6
165.05550	79.6
166.05891	1.1
173.02417	2.9
174.03194	3.8
175.03909	2.7
176.04771	1.0
177.05482	2.1
179.03438	2.1
179.07030	1.1
180.04236	4.6
185.06023	0.9
188.04660	1.2
189.05467	2.8
190.02625	0.9
191.03520	3.2
191.07082	2.4
193.05035	3.7
194.05807	1.0
195.06596	38.2
205.04932	1.8
206.05699	1.2
207.06479	2.2
209.06079	1.4
211.03770	0.9
221.06047	1.5
225.05437	2.1
227.07059	0.9
231.97304	0.9
234.06836	1.0
235.03859	2.8
236.04744	1.1
237.05508	3.6
238.04593	2.1
247.03947	2.0
248.04747	1.5
249.05577	4.3
250.06293	3.2
251.03400	1.9
251.07034	3.0
253.04913	2.7
254.05653	1.0
255.06432	1.7
263.03470	2.4
264.04160	2.9
264.07535	0.9
265.04974	3.6
265.08804	1.4
266.05740	1.7
267.02853	2.1
267.06589	2.9
267.10156	1.9
269.04437	1.0
269.08041	1.2
276.04102	1.6
277.05008	2.6
278.05698	3.0
279.06705	6.2
279.09384	1.3
280.03479	1.4
280.07037	1.2
281.04440	3.4
281.07938	1.9
282.05423	4.9
283.05890	2.3
291.06509	2.1
292.07297	3.9
293.04492	1.8
293.08099	3.4
294.05328	3.0
294.08798	2.7
295.05984	5.1
295.09641	9.8
296.06818	2.7
296.10394	5.8
297.04288	1.4
297.07581	9.3
297.10681	1.2
298.08313	2.8
299.08957	1.0
304.03711	1.9
305.04736	1.3
306.05453	0.9
307.02521	1.0
307.05991	2.4
308.03287	2.2
308.06677	1.1
309.04144	1.6
309.07544	4.9
309.10992	1.6
310.08472	0.9
311.05899	1.0
311.09198	2.9
311.12585	1.9
312.09903	4.9
313.10623	2.4
318.05017	1.2
319.06009	2.8
320.03256	1.2
320.06723	1.7
321.07782	1.0
322.04672	2.7
322.08310	1.0
323.05450	7.0
323.09183	2.4
324.06119	4.7
324.09909	3.8
325.10764	1.2
327.12280	4.3
333.07562	1.4
334.08102	1.5
335.05377	2.1
335.09134	1.8
336.06265	1.7
337.07083	10.4
338.04358	1.4
338.07816	8.7
339.05313	1.0
339.08691	8.6
340.09363	2.0
340.41135	1.1
341.06537	2.5
350.08078	1.5
351.08551	2.8
352.09479	9.1
353.06461	6.7
353.10196	10.6
354.10870	2.6
355.07864	1.8
355.11847	1.9
356.09009	5.5
356.12613	76.4
357.13388	8.6
365.10168	1.9
367.08136	2.1
368.08899	7.7
369.09653	1.1
370.10370	3.7
371.11032	13.4
371.14917	39.5
372.15271	2.3
379.08060	3.1
381.09738	1.6
383.06503	1.8
383.11316	32.3
384.11688	2.1
394.10602	2.6
395.07043	2.0
397.09216	2.4
398.09888	1.3
401.12225	1.8
409.09070	1.1
412.11490	3.4
413.12283	9.5
425.12421	34.9
431.14914	1.9
443.13635	6.4
455.13391	3.4
460.15079	4.7
467.13525	4.9
475.17691	7.3
480.10336	1.5
481.11209	5.8
485.14426	2.1
486.13000	1.4
487.13464	1.7
495.12894	1.3
496.13391	2.5
497.10913	3.5
499.12515	5.1
500.12778	1.0
501.15146	3.4
505.18436	1.6
512.12726	1.1
514.14594	2.7
515.15497	21.1
516.16211	1.7
519.16486	14.0
527.15558	34.2
528.15747	1.8
531.16284	5.2
545.16748	1.8
549.17590	58.8
550.17902	4.9
561.17401	2.6
567.18341	1.6
579.18671	2.5
591.18646	9.6
595.22522	1.1
595.69330	0.9
597.10651	1.3
597.19763	16.0
598.20740	1.7
603.18530	14.3
604.18402	1.6
609.19690	1.4
615.18530	1.6
621.19562	1.9
633.19476	8.8
639.20770	15.1
640.21155	1.7
645.19604	1.4
651.20734	11.6
663.20636	9.6
681.21692	12.0
682.21912	1.6
693.21857	22.2
694.21967	2.5
711.23059	10.2
723.22498	2.3
739.25494	2.1
741.23877	49.9
742.24274	5.2
853.27679	1.3
856.25867	1.1
867.28107	1.4
871.27789	1.9
886.30566	3.0
887.31238	18.4
888.31189	3.3
897.52075	1.4
898.52747	3.1
899.31268	44.0
899.49994	2.1
900.31372	6.9
917.31799	4.0
1035.36609	9.1
1036.36206	1.9
1065.37329	5.7
1083.38318	20.4
1084.39441	4.9
1113.39404	35.3
1114.39856	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	1125.657
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01365	1.1
85.02950	2.1
87.00851	0.3
89.02424	1.4
95.01374	0.2
96.95987	0.4
99.00884	0.6
99.03398	0.1
101.02430	10.8
102.02753	0.1
107.46488	0.1
113.02436	2.0
119.03489	1.3
125.02394	0.2
127.32356	0.1
131.03491	1.2
133.02908	0.3
134.03720	0.2
135.04442	0.4
137.02429	0.1
143.03445	0.3
149.04518	0.7
150.44684	0.1
159.02962	0.2
161.02388	0.3
161.04517	0.9
179.03476	0.2
183.13832	0.6
191.05589	0.8
193.05046	0.1
195.06622	0.1
195.13852	0.4
211.13293	0.1
213.14920	3.0
214.15111	0.1
233.06549	0.5
293.08688	0.2
327.21570	0.2
329.22961	0.2
437.34641	0.1
455.35397	0.4
469.36856	0.2
470.28125	0.1
572.43280	0.1
617.40454	100.0
618.40778	11.3
631.42096	1.9
632.42212	0.2
639.21118	0.1
659.41528	12.0
660.42065	1.3
689.42725	1.3
701.42566	0.2
703.40686	0.2
719.44159	0.1
731.43781	1.8
732.44165	0.3
749.44965	1.6
750.45404	0.2
761.43463	0.1
791.45709	1.8
792.45795	0.3
833.46881	2.6
834.47382	0.4
911.49982	6.4
912.50195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.7288
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	0.9
83.01380	0.4
83.04993	0.1
85.02947	0.9
87.00850	0.8
89.02431	3.8
95.01399	0.4
97.02944	0.8
98.20653	0.3
99.00885	0.4
101.02432	3.8
101.42191	0.1
111.04528	0.2
113.02428	1.8
117.03495	0.2
119.03481	1.0
119.04990	0.3
119.45188	0.2
121.02943	0.7
125.02427	1.8
131.03497	0.3
131.58542	0.1
133.05020	0.2
135.04529	0.4
139.03897	0.2
143.03484	0.7
145.02925	0.7
152.99605	1.0
161.02414	0.3
161.04535	0.8
179.03490	0.2
179.05589	1.0
221.06625	0.4
235.08200	2.4
235.97502	0.2
253.09169	0.5
255.23259	11.7
256.23642	0.5
263.07635	0.2
270.20386	0.2
287.07852	0.9
305.08707	1.2
397.13440	37.3
398.13843	1.5
407.29688	0.2
415.14508	9.2
416.14832	0.6
423.32935	0.2
427.36169	0.2
471.34714	100.0
472.35043	10.0
503.27972	0.2
617.38586	0.5
617.62506	0.2
618.38562	0.3
621.18250	0.2
635.39056	0.6
636.39526	0.5
653.37439	14.2
654.37903	1.4
915.26526	0.2
1125.72864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02959	0.8
91.05543	0.2
93.03445	2.6
95.01379	0.3
95.05017	0.2
99.00844	0.2
101.02437	0.6
101.36388	0.2
104.02676	0.3
105.03447	0.8
107.05025	0.6
109.02946	0.6
111.00853	3.2
111.04521	0.7
113.02434	1.2
115.01898	0.4
117.03458	1.0
119.05003	0.6
121.02943	8.2
122.03735	0.4
123.04488	0.5
125.02413	0.2
127.04008	0.7
132.02155	5.0
133.02942	34.8
134.03764	4.4
135.04509	22.4
136.01665	0.3
136.04820	0.8
137.02423	1.6
139.00359	1.5
143.03423	0.2
146.03700	0.2
147.04463	0.4
148.05280	0.3
149.02437	0.3
149.06071	2.0
150.03198	0.3
151.03999	0.8
153.05559	0.4
159.04475	0.5
160.01643	6.0
161.02420	75.2
162.02768	2.6
163.03996	1.1
165.01917	0.5
173.06133	0.3
173.54507	0.2
175.03975	6.9
176.04610	0.5
177.01918	0.5
177.05550	3.6
178.02661	0.5
179.03468	14.2
180.03989	0.7
191.07085	0.3
193.05049	2.5
195.06575	0.4
203.03488	1.2
220.03743	0.8
221.04503	2.5
233.04454	0.3
235.06126	0.5
251.05475	0.3
263.05554	0.8
273.07651	1.1
275.05472	1.0
280.05801	0.8
285.03931	0.4
307.08194	3.8
315.08545	1.3
323.07651	10.6
324.07999	0.6
333.09894	0.4
337.09137	2.5
356.12585	9.1
357.13019	1.3
371.14893	3.4
372.15247	0.2
695.23322	100.0
696.23669	13.5
709.24854	8.4
710.25342	1.1
1146.15857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.6927
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95728	0.2
89.03965	0.4
96.95998	4.9
104.51808	0.2
117.03455	22.3
118.03785	0.4
119.05017	3.7
121.02938	0.5
145.02936	84.4
146.03281	2.6
147.04514	0.3
163.03984	4.1
277.21716	1.0
373.04239	0.6
397.16589	1.0
425.30548	0.3
437.30731	0.2
455.31619	0.5
467.31519	0.5
469.33228	3.2
470.33426	0.3
513.31964	0.7
539.80566	0.2
555.17029	0.2
571.37994	0.5
633.37860	100.0
634.38214	13.8
657.21075	0.3
658.22461	0.4
659.21881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.6929
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03955	0.2
93.03468	0.2
96.96004	0.4
108.66095	0.1
116.02688	0.1
117.03454	15.9
118.03770	0.4
119.05013	9.3
120.05337	0.3
121.02937	0.7
123.04502	0.2
133.02924	0.2
135.95714	0.1
145.02936	45.1
146.03278	1.3
147.04491	0.1
152.99536	0.1
156.51849	0.1
162.03195	0.3
163.03990	7.2
164.04326	0.2
165.59224	0.1
253.09271	0.2
277.21704	0.7
286.73428	0.1
301.57919	0.1
348.35419	0.1
373.04178	0.1
409.30981	0.1
451.32001	0.2
469.33133	0.5
487.34396	0.2
495.31238	0.2
513.32556	0.4
569.36285	0.1
571.37830	1.2
572.38025	0.1
573.35358	0.3
587.37567	0.2
589.38885	3.9
590.39484	0.4
615.36865	2.8
616.37347	0.4
623.58179	0.1
633.37836	100.0
634.38196	12.9
634.46124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0036
Annotation	Maleic acid
Peak:m/z	Relative Intensity
69.10773	3.6
69.30025	28.7
69.30435	10.7
71.01375	100.0
115.00365	13.1
115.03957	3.6
116.07127	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	115.0036
Annotation	Maleic acid
Peak:m/z	Relative Intensity
55.43324	4.8
59.01379	5.4
60.04378	4.3
64.23833	4.5
70.17898	20.2
70.88730	4.5
71.01376	100.0
71.04989	7.0
74.84698	4.6
85.47569	4.5
87.00855	5.9
115.00357	17.4
115.03951	7.0
116.07175	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	1151.745
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01400	0.3
85.02950	0.7
87.00875	0.9
89.02438	2.5
95.01357	0.3
97.02948	0.6
97.14281	0.1
101.02435	2.9
113.02440	1.4
119.03445	0.7
125.02432	1.4
131.03496	0.2
143.03467	0.6
145.99112	0.2
153.26678	0.1
161.04543	0.8
173.15965	0.1
174.93365	0.2
179.05609	0.8
179.87004	0.1
202.91846	0.1
221.06691	0.2
235.05945	0.2
235.08171	2.2
250.05370	0.1
253.09203	0.3
263.07660	0.2
263.12479	0.1
281.24814	11.1
282.25162	0.8
282.27939	0.1
287.07803	0.9
305.08591	1.0
323.09564	0.2
379.12424	0.2
397.13443	32.0
398.13797	1.6
415.14511	9.0
416.14883	0.5
423.32571	0.3
427.35886	0.2
469.33032	0.3
470.33411	0.4
471.34729	100.0
472.35074	10.8
679.38989	9.5
680.39661	1.1
1071.97437	0.2
1151.74817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1152.7092
Annotation	Unknow
Peak:m/z	Relative Intensity
93.45595	0.4
98.20600	0.6
115.74302	0.4
117.03452	24.3
117.97778	0.3
118.03802	1.0
119.05010	10.4
120.05356	0.4
121.02945	0.9
125.05003	0.3
145.02934	63.8
146.03278	1.6
152.99573	1.0
163.03981	7.7
168.04311	1.0
224.06876	2.5
242.07974	0.7
279.23245	32.9
280.23465	1.9
314.55615	0.4
337.06985	0.3
395.18887	0.3
412.27258	0.4
469.33038	0.8
504.30890	72.2
505.31180	4.9
513.32288	0.7
571.38177	0.8
573.36139	0.5
589.39038	4.5
615.36572	3.9
616.36682	0.6
633.37842	100.0
634.27576	0.6
634.38177	12.9
652.75616	0.3
1093.63196	1.0
1152.70728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03469	0.5
83.01370	0.5
85.02950	3.0
87.00875	0.5
89.02448	1.6
89.03941	2.4
91.05534	0.5
93.03449	2.2
95.01377	1.0
96.22931	0.3
97.02937	0.7
98.20644	0.5
99.00876	0.5
99.04479	0.5
101.01762	0.6
101.02435	11.1
106.04262	0.7
107.05024	0.8
109.02940	0.5
111.00861	5.9
111.04502	0.7
113.02442	2.6
117.03452	6.5
119.03488	0.4
119.05008	2.9
121.02954	2.0
123.04534	1.0
125.02446	1.1
125.06049	0.6
127.04005	4.4
131.34193	0.3
132.02159	5.3
133.02957	1.8
134.03726	100.0
135.04454	5.5
136.01654	0.4
137.02408	1.4
137.06035	1.8
139.00351	2.6
143.03497	1.2
145.02954	0.3
147.04520	1.3
149.06062	9.4
151.04010	0.6
151.07634	6.4
153.01909	1.1
153.05556	1.4
160.01637	12.8
161.02448	4.8
161.04533	0.9
162.02855	0.3
163.03981	2.5
171.03004	2.2
173.04672	0.3
175.03992	10.6
176.04269	0.3
177.05603	0.6
178.02739	0.5
179.03474	6.1
179.05266	0.6
179.05533	0.5
189.01920	1.2
191.05478	0.3
193.05029	95.8
194.05383	3.2
195.06599	4.6
199.67194	0.3
207.02893	0.4
221.04588	0.7
239.05566	0.7
257.08118	1.8
269.10278	0.7
275.09311	0.8
285.04092	0.6
291.08698	32.8
292.09073	1.8
315.12485	7.5
317.10226	9.7
318.10556	0.7
327.08649	0.9
359.11304	7.4
360.11798	0.4
419.13400	16.4
420.13898	1.4
429.13995	7.1
430.14450	0.4
521.17072	0.4
577.19165	49.3
578.19476	5.4
581.18604	3.8
582.19495	0.6
1159.37769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	0.3
83.05030	0.3
85.02942	1.4
87.00867	0.2
89.02435	2.2
89.03971	0.5
91.05529	0.2
93.03447	2.7
93.07088	0.4
95.01372	1.4
95.05015	6.7
96.05358	0.2
97.02912	0.2
99.00863	0.3
99.04527	0.2
101.02436	3.2
101.62521	0.1
102.04775	0.1
103.05545	0.3
104.02699	0.1
105.03465	0.4
106.03521	0.2
106.04234	3.2
107.05039	0.7
108.02176	0.4
109.02974	0.2
111.00869	6.1
111.04508	1.9
111.08145	0.4
113.02438	3.0
117.03453	1.4
119.03516	0.8
119.05022	1.3
120.99633	0.3
121.02944	5.8
121.06583	15.2
122.06907	0.4
123.04518	2.5
123.05341	0.2
125.02399	0.2
125.06119	0.1
127.04003	2.1
131.03609	0.1
132.02156	10.4
133.02948	8.6
134.03731	21.1
135.04530	6.4
135.05359	0.1
135.05592	0.1
136.01659	0.8
137.02437	2.4
137.06062	0.5
139.00362	9.1
139.04027	0.5
139.07634	6.8
143.03523	0.3
145.02991	0.2
146.03741	0.1
147.03319	0.2
147.04506	4.8
148.05298	2.2
149.02455	1.1
149.06062	4.4
150.03175	0.3
151.03966	0.8
151.07648	0.2
153.05548	1.5
158.03723	1.1
159.04436	0.2
160.01637	39.9
161.02425	19.9
162.02773	0.7
162.06870	0.3
163.03998	1.8
163.07608	0.5
164.04750	0.5
165.01903	0.8
165.05537	6.2
167.07124	0.1
171.02995	0.2
173.06090	0.9
174.03146	0.7
175.03979	49.8
176.04744	10.9
177.01898	1.9
177.05469	1.5
178.02690	3.1
179.03477	4.3
179.05507	0.6
179.07010	0.2
180.03935	0.1
181.05173	0.1
183.06578	1.0
188.04727	0.1
189.01997	0.1
189.05533	0.3
191.07109	13.0
192.04256	1.3
192.07394	0.5
193.05026	21.9
194.05299	1.0
195.06616	2.2
202.02637	0.2
203.03575	0.1
207.03047	0.3
207.06607	4.2
208.06860	0.1
209.04523	10.5
210.04942	0.3
211.06082	0.2
213.49519	0.1
217.04993	0.9
220.03740	1.8
221.04526	1.3
221.08037	0.2
229.64546	0.2
235.06075	25.4
236.06451	1.2
239.05609	0.5
247.06113	0.2
251.05635	0.8
265.07120	5.7
266.07468	0.2
273.07651	2.3
274.07825	0.1
275.05569	1.6
281.06610	1.3
295.08182	8.1
296.08514	0.4
307.08182	7.8
308.08478	0.3
315.08694	2.7
323.07657	1.4
324.07907	0.2
333.09793	1.6
337.09253	3.1
341.08710	1.7
342.09097	0.2
343.08148	0.4
345.11862	2.5
345.16098	0.1
355.10291	5.4
356.10599	0.4
357.09927	0.3
371.09598	0.2
375.10861	1.3
389.10809	2.1
393.11847	1.2
398.53055	0.1
403.10556	0.4
407.13232	0.2
435.12915	4.9
436.13156	0.4
461.13159	0.2
463.09128	0.1
469.13348	0.2
477.17661	2.1
478.17584	0.2
489.13885	1.0
521.16559	25.3
522.16803	2.1
533.12988	1.2
537.16595	0.2
538.03882	0.1
547.14423	0.3
565.15521	100.0
566.15851	10.1
597.18152	13.5
598.18353	1.1
623.19244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03432	1.1
83.01388	0.6
83.05016	0.3
84.02150	0.3
84.84312	0.1
85.02940	5.4
87.00876	0.5
89.02428	2.0
89.03939	0.2
91.01864	0.2
91.05518	2.4
92.99814	0.3
93.03444	7.7
94.03761	0.2
95.01380	2.1
95.05029	0.3
95.05923	0.1
97.02933	0.6
98.19926	0.1
99.00875	0.7
99.04508	1.4
101.02431	28.0
102.02770	0.4
106.04237	0.4
107.05020	2.0
108.02167	0.5
109.02948	1.0
110.00123	0.1
111.00867	20.2
111.04502	3.0
112.01180	0.4
113.02463	1.3
117.03455	1.0
119.01377	0.2
119.03521	0.8
119.05009	13.5
120.05360	0.5
121.02940	6.8
121.06570	0.3
123.00916	0.3
123.04520	0.6
123.08112	0.2
125.02430	3.7
125.06070	2.3
127.03996	15.8
128.04330	0.4
131.03442	0.2
131.05009	0.2
133.02936	1.5
133.06586	0.2
134.03723	0.6
135.03465	0.2
135.04512	5.9
136.01639	0.5
136.05339	0.8
137.02423	3.3
137.06062	6.3
139.00359	9.1
143.03481	2.7
145.02921	0.8
147.04524	0.3
147.59273	0.1
149.02516	0.2
149.06125	1.0
151.04027	2.2
151.07628	22.4
152.07950	0.8
153.01917	4.2
153.05551	3.2
159.04469	0.4
161.01077	0.3
161.02425	4.9
161.04555	0.4
161.05869	0.2
162.03049	0.2
163.03989	8.0
163.07672	0.2
164.04317	0.3
165.01978	0.2
165.05493	0.3
167.03421	0.2
167.07092	0.5
169.05011	0.2
171.02963	6.8
175.04025	0.4
177.05536	2.1
179.03471	16.3
179.05510	1.1
180.03864	0.5
187.03946	0.2
189.01910	4.8
190.02231	0.2
191.03392	0.2
193.04988	0.8
195.06593	15.9
196.06889	0.5
197.04549	0.6
201.05580	0.2
203.03621	0.3
207.01199	0.2
207.02956	1.5
211.06097	0.3
217.05092	0.1
219.06523	0.2
221.04526	2.4
231.06566	0.3
239.05562	2.8
257.08148	5.7
258.08466	0.3
259.06082	0.5
275.09213	3.4
281.06619	0.3
283.09726	0.2
291.08698	100.0
292.09042	5.5
292.11792	0.1
299.08835	0.2
315.12347	21.9
316.12628	1.5
317.10239	29.6
318.10556	1.9
327.08698	3.0
327.12177	0.1
328.09039	0.1
331.11600	0.2
341.10226	0.6
355.11694	0.2
359.11292	21.7
360.11694	1.5
369.09573	0.2
377.12460	0.2
383.11392	0.4
387.10904	0.4
401.11792	0.4
419.13412	51.1
420.13779	4.2
420.18335	0.1
453.13806	0.6
461.13086	0.4
521.16577	1.3
581.18671	12.6
582.18848	1.4
587.00891	0.2
591.90668	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
54.26952	0.4
55.01874	0.5
59.01370	0.5
69.83464	2.6
71.01385	0.9
71.76719	0.5
73.02940	100.0
74.03293	2.8
99.00870	10.1
99.92564	2.9
116.92853	9.7
117.01933	19.0
117.92897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
56.01785	0.5
61.40693	0.5
69.40459	4.4
69.42698	0.7
73.02938	100.0
74.03288	2.5
98.19874	1.3
99.00877	7.8
115.12144	0.5
117.01932	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	117.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72276	0.5
69.86600	3.0
69.87006	1.0
73.02938	100.0
74.03287	2.0
99.00871	8.4
103.85759	0.5
116.92850	1.9
117.01925	19.1
118.02254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	1.0
83.05013	0.3
85.02939	5.7
89.02421	1.0
92.99772	0.4
93.03447	3.8
95.01386	1.5
96.95994	0.9
97.02943	0.3
99.04494	1.2
101.02431	26.4
102.02759	0.6
107.04992	1.3
109.02952	0.6
109.98350	0.2
111.00866	16.1
111.04514	1.6
111.71222	0.3
112.01140	0.3
113.02412	1.3
117.03413	0.4
119.03527	1.2
119.04985	0.8
121.02940	0.6
123.00861	0.3
125.02437	3.0
125.05994	0.4
127.03993	12.7
129.53030	0.3
131.03468	1.0
133.02924	0.8
135.04515	3.0
137.02441	1.6
137.06058	2.6
139.00356	6.5
143.03459	1.9
149.04532	0.5
149.06044	0.3
151.03986	1.0
153.01920	3.4
153.05516	1.0
161.02452	1.3
163.03978	1.0
165.05513	0.3
171.02965	5.6
177.05470	0.3
179.03468	8.7
189.01894	0.6
191.05576	0.6
195.06528	1.2
221.04652	0.4
233.06494	0.4
239.05504	0.7
257.08167	3.4
258.08710	0.4
275.09116	2.6
291.08694	64.6
292.09070	4.0
306.21692	0.2
317.10239	15.9
318.10596	1.2
359.11261	2.8
377.11786	0.3
411.32632	0.4
419.13440	5.0
420.13495	0.4
423.32983	0.6
453.33670	1.4
471.34711	100.0
472.35034	10.4
472.41980	0.4
485.36279	6.6
486.36856	0.8
513.35718	4.8
514.36005	0.8
543.36676	1.1
603.39117	1.4
645.40039	2.6
646.39746	0.3
687.41058	4.5
688.41656	0.8
765.44208	6.0
766.44574	1.0
1183.97205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96947	7.3
125.79338	0.1
142.05725	0.1
150.98004	0.6
152.34299	0.2
152.99565	55.0
153.99907	0.8
161.02370	0.2
171.00629	1.7
223.00087	8.1
231.28253	0.2
233.22627	0.2
241.01147	15.5
242.01530	0.4
259.02234	1.1
259.20572	0.4
275.19955	0.2
277.21674	33.4
278.21994	2.5
315.04813	6.1
316.05182	0.2
333.05817	0.6
436.31033	0.2
505.22757	0.2
593.27222	100.0
594.27551	10.2
594.35333	0.1
948.36505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0349
Annotation	3,4-Dihydroxybutanoic acid
Peak:m/z	Relative Intensity
55.01863	4.5
59.01374	100.0
59.01675	6.0
70.96409	8.0
71.01371	76.5
72.99313	19.2
73.02924	5.8
76.18288	3.1
78.04699	3.0
87.78625	3.0
101.02467	4.0
119.03495	13.1
119.05016	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	119.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.5
59.01374	100.0
59.01675	6.0
70.96409	8.0
71.01371	76.5
72.99313	19.2
73.02924	5.8
76.18288	3.1
78.04699	3.0
87.78625	3.0
101.02467	4.0
119.03495	13.1
119.05016	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	119.0502
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
52.75874	0.5
55.09514	0.5
65.80328	0.5
70.01986	2.1
91.05536	1.1
93.03432	2.8
98.19936	0.9
117.03493	0.6
118.44799	0.6
119.05014	100.0
120.05366	5.3
124.80424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26775	5.6
73.38826	0.5
74.81572	0.6
84.17282	0.6
91.05525	1.1
93.03436	3.0
104.01114	0.6
119.05009	100.0
120.05337	4.6
131.97569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	0.5
91.01881	0.2
93.03433	0.3
107.01380	1.6
107.05024	0.2
108.02167	0.6
109.02943	0.8
113.02496	0.1
114.72558	0.1
119.01343	0.1
119.05013	0.6
121.02940	1.0
123.00861	0.1
124.01651	0.2
125.02422	0.2
131.65720	0.1
133.02937	0.3
135.00870	0.4
135.04483	0.6
137.02373	0.2
137.06052	0.4
139.04042	0.1
139.60089	0.1
140.80293	0.1
143.05009	0.1
145.02916	0.1
148.01665	0.6
149.02429	0.2
149.99512	0.1
151.00346	7.3
152.00699	0.2
157.06558	0.1
159.04449	0.2
161.02431	0.5
161.06027	0.1
162.99115	0.1
163.00348	1.4
163.03931	0.6
164.01143	0.3
165.01953	0.2
165.86555	0.1
167.05000	0.1
168.00589	0.2
169.01398	0.4
169.70050	0.1
171.04448	0.2
173.02287	0.1
173.06035	0.1
174.03418	0.1
178.99831	3.8
179.03487	0.1
180.00215	0.1
181.05087	0.1
183.04530	0.4
185.06111	0.1
186.03174	0.1
187.03949	0.3
190.02647	0.1
190.99829	0.2
191.03674	0.1
192.00600	0.2
193.01443	0.2
198.03116	0.1
199.03941	0.5
201.01912	0.1
201.05533	0.3
203.03471	0.2
209.00845	0.1
211.03972	0.7
212.04453	0.1
213.01900	0.1
215.03517	0.4
216.04245	0.3
226.02641	0.9
227.03461	1.8
228.03909	0.2
229.01347	0.1
229.04988	0.4
239.03464	0.2
240.04233	0.1
243.02945	6.3
244.03453	0.5
245.04483	0.8
254.02180	1.3
255.02933	17.8
256.03339	1.1
257.04468	0.2
266.02148	0.2
271.02426	38.2
272.02911	2.7
273.04025	0.7
283.02432	0.9
297.03693	0.1
299.02005	0.8
300.02698	67.2
301.03418	27.1
302.03799	1.4
313.03473	0.1
317.10388	0.1
343.04465	0.6
447.14999	0.2
583.16925	1.1
609.14471	100.0
610.14813	10.1
611.14978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
56.20255	0.4
69.38593	3.3
69.38929	0.4
72.64266	0.3
79.00839	0.3
81.40807	0.3
85.50281	0.3
91.01905	0.5
92.02634	0.4
93.03442	2.6
94.02946	1.9
95.01375	0.8
108.02140	2.1
108.33418	0.4
121.02944	100.0
122.02482	1.5
122.03288	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	123.0452
Annotation	Trichodenone A
Peak:m/z	Relative Intensity
51.22092	1.3
53.00310	1.3
53.17872	1.1
54.23733	1.0
60.35888	1.0
67.01874	3.9
68.99802	3.2
69.03449	1.6
69.66743	6.4
81.03450	2.8
83.38445	1.1
93.02943	1.3
93.03471	7.4
94.02983	3.6
94.98119	1.3
95.01376	74.3
95.05013	10.0
96.01736	3.3
96.04538	3.1
105.03446	2.1
106.23636	1.2
108.02162	6.5
121.02973	7.7
122.03728	11.9
122.99960	2.4
123.00872	54.3
123.04513	100.0
124.01551	4.0
124.04019	9.7
124.04852	4.7
143.02829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0451
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
60.48298	1.4
67.01856	2.1
67.32974	1.3
68.99844	2.0
69.67178	10.3
72.82705	1.3
74.05863	1.4
81.03439	3.7
81.32388	1.4
87.51997	1.4
93.03466	4.7
95.01376	45.5
95.05020	8.0
95.10995	1.4
96.04533	2.1
102.46509	1.6
108.02156	6.6
121.02947	2.1
122.03747	13.0
123.00872	28.4
123.04510	100.0
124.04015	4.7
124.04858	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	127.04
Annotation	5-Hydroxymethylfurfuryl alcohol
Peak:m/z	Relative Intensity
52.62527	0.8
57.05431	0.9
59.22023	0.8
67.01883	100.0
67.48077	0.8
68.02219	3.3
69.36866	1.4
69.37276	6.1
71.51287	0.8
79.79212	0.9
84.76021	1.0
85.02947	1.7
97.02930	1.2
111.35579	0.9
112.01646	3.2
126.90392	6.2
127.00344	2.8
127.03998	18.0
128.03485	0.9
128.07158	2.0
135.62842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.04
Annotation	5-Hydroxymethylfurfuryl alcohol
Peak:m/z	Relative Intensity
61.06759	0.9
61.75761	1.0
65.44153	1.1
66.93658	1.1
67.01884	100.0
68.02207	4.0
70.86806	3.0
112.01646	2.1
126.90432	1.6
127.03999	14.8
135.13448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0193
Annotation	Mesaconate
Peak:m/z	Relative Intensity
54.10043	5.2
55.01860	15.7
57.03446	49.7
61.69601	5.4
67.01881	100.0
68.99791	9.6
69.42875	40.6
71.01366	20.7
72.99296	12.7
79.95724	38.3
83.01363	8.7
83.05027	8.0
85.02950	57.4
88.04028	29.2
100.78203	5.9
101.02425	17.1
110.52714	5.3
111.00845	6.5
128.90154	28.8
129.01938	39.7
129.05550	19.0
130.08727	10.7
131.28688	5.6
135.04506	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0192
Annotation	Mesaconate
Peak:m/z	Relative Intensity
54.08800	5.3
55.01868	10.7
57.03437	40.4
58.52129	5.4
59.01380	5.4
67.01876	75.7
67.85297	5.7
68.99793	15.4
69.49299	43.0
71.01330	12.0
72.99258	5.6
73.02955	5.5
85.02933	100.0
87.00843	7.9
87.63300	5.6
88.04039	29.9
98.20658	11.6
101.02435	31.7
107.16534	5.7
111.00827	11.1
129.01917	49.8
129.05518	6.8
129.61258	6.5
130.05067	7.9
130.08704	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	129.0557
Annotation	3-Oxohexanoic acid
Peak:m/z	Relative Intensity
55.01852	3.3
57.03437	2.7
59.01364	2.5
59.73440	1.5
65.04058	1.6
68.99794	3.2
70.91957	3.3
70.92288	1.9
71.01392	2.5
78.01353	1.6
78.22104	1.5
79.83787	1.5
81.65216	1.5
83.05006	2.2
85.02946	8.8
85.06577	100.0
86.06892	3.2
87.00861	2.0
101.02439	3.5
110.15746	1.6
128.90189	9.8
128.91010	2.1
129.01941	8.0
129.05569	19.6
130.08754	3.1
139.46169	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	129.0557
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
55.01874	16.3
56.00068	11.4
57.03434	38.1
59.01372	21.5
61.70387	12.8
65.40935	10.8
66.49660	10.2
67.01876	20.0
69.92480	52.0
70.38640	9.9
71.01394	17.5
73.02925	20.2
78.72681	9.7
85.02938	70.5
85.06583	78.8
88.04021	11.9
101.02470	16.4
111.00859	14.9
128.90163	61.1
129.01918	40.9
129.05553	100.0
130.08714	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0873
Annotation	L-Leucine
Peak:m/z	Relative Intensity
57.03434	1.1
58.36742	0.5
61.22035	0.4
66.58985	0.5
70.92690	0.6
70.93027	1.3
71.01371	1.0
73.02943	2.4
84.08146	0.8
85.02942	1.8
87.04520	1.4
88.04006	1.5
112.03963	0.5
130.08720	100.0
131.03502	1.1
131.07091	0.7
131.09079	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	131.0713
Annotation	(S)-(-)-2-Hydroxyisocaproic acid 
Peak:m/z	Relative Intensity
50.69093	1.0
57.03432	2.3
59.01358	3.2
59.90166	1.0
69.03450	7.9
70.02000	3.0
71.01372	7.0
73.02934	12.8
79.56195	1.0
85.02937	8.9
85.06582	100.0
86.06920	3.0
87.04509	6.3
91.80743	1.2
101.02468	2.3
113.06065	2.7
126.02786	1.0
129.05569	1.6
131.03496	5.1
131.07135	54.2
132.07460	3.5
140.80173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.3
57.82917	0.9
68.67332	0.8
69.03448	10.1
71.01381	3.0
71.61088	1.6
73.02922	8.5
75.13146	0.9
85.02942	6.4
85.06583	100.0
86.06913	4.4
87.04521	4.6
92.70930	0.9
101.02437	1.5
103.45852	0.9
107.25347	0.9
107.66088	1.0
112.08061	1.0
113.06086	3.0
117.43655	0.9
129.05577	1.2
131.03491	3.5
131.07129	57.2
132.07471	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	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01360	1.0
70.77046	1.7
71.01376	71.9
72.01701	1.8
72.98925	1.4
72.99303	18.2
85.36571	0.8
87.00874	1.0
89.02439	9.3
97.32021	0.8
115.00360	100.0
116.00684	3.3
133.01413	28.3
134.01796	1.3
140.20679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.2
69.65507	4.0
69.65932	3.0
71.01373	69.1
72.99302	15.2
87.00868	7.6
87.04536	1.3
89.02431	8.1
98.19998	2.6
103.65622	1.0
113.17762	1.1
115.00356	100.0
116.00700	2.6
121.65817	1.1
126.77978	1.1
133.01414	25.4
133.05063	9.3
141.86302	1.0
153.57553	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51793	1.1
69.55038	5.6
71.01373	11.5
72.99297	2.0
77.03944	2.8
82.82412	1.1
89.03979	1.1
95.05000	2.9
98.20142	4.6
98.20706	1.3
104.02692	1.9
105.03449	7.5
109.36809	1.1
115.00355	16.4
115.01829	2.1
132.02159	16.4
132.86771	6.0
133.01378	3.8
133.02950	100.0
134.03302	3.7
134.04706	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87928	2.1
64.80251	2.3
65.00336	2.6
66.41167	2.5
69.78368	5.2
69.78766	7.4
71.01380	17.9
77.03956	23.8
89.02485	3.0
89.03966	9.2
95.05019	30.3
105.03450	78.4
115.00363	24.4
117.18086	2.2
121.02970	4.2
123.04527	6.0
132.02168	17.8
133.01399	7.1
133.02948	100.0
133.06436	2.7
134.03297	5.5
134.04758	3.4
141.61682	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	133.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18032	1.8
64.60320	1.9
65.00311	2.7
69.82288	8.5
71.01382	12.0
72.98360	2.0
72.99313	2.3
77.03955	21.4
82.72269	1.7
88.62278	1.8
89.03957	7.7
93.03461	4.0
95.05013	32.1
105.03455	80.1
105.79500	1.9
106.03803	4.4
115.00359	19.2
123.04501	3.3
132.02180	13.6
133.01398	4.9
133.02945	100.0
134.03340	5.5
134.04727	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0295
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
65.00349	2.9
69.61550	1.8
69.78001	9.0
71.01381	7.1
77.03963	21.5
82.56554	2.1
85.24478	1.9
89.03958	6.0
92.90630	1.9
93.03466	3.8
95.05013	24.9
104.02695	2.4
105.03448	73.9
106.03834	4.1
115.00351	10.9
123.04575	4.4
132.02191	12.5
133.02940	100.0
134.03329	3.5
149.87241	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	133.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59923	16.2
71.01370	68.6
71.37137	27.6
77.04007	16.1
83.33022	18.9
85.70647	18.8
99.63410	17.4
115.00348	79.5
133.01387	20.5
133.02956	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	134.0373
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
57.01297	1.0
59.01371	7.9
71.01385	18.9
71.05027	1.4
71.61407	1.3
73.02946	13.7
73.03339	1.3
75.00894	1.4
75.57864	1.1
81.03472	5.3
84.02156	1.4
85.02942	42.8
89.02460	4.1
91.05507	1.2
93.03445	1.6
101.02464	4.9
103.03999	5.3
106.04250	5.4
107.03659	3.3
107.05020	18.3
111.35773	1.0
114.96391	1.0
117.05605	2.0
123.04540	2.2
131.91722	1.1
133.27831	1.1
134.03754	45.0
134.04739	9.9
134.86525	2.5
134.89444	4.9
135.04512	100.0
135.06587	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	134.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35259	0.3
59.01358	0.8
65.01436	0.7
69.86509	0.6
69.86914	1.2
71.01376	2.6
72.01707	0.5
72.99288	0.7
73.02937	1.6
74.36548	0.3
75.00839	1.6
80.02522	0.5
81.03456	0.8
85.02939	5.0
86.29398	0.3
89.02470	0.4
92.02530	7.9
93.02898	0.4
93.03469	0.5
93.52019	0.3
101.02431	0.7
103.04012	0.8
106.04230	0.7
107.03625	26.1
107.05024	1.7
108.03947	0.6
116.00740	1.1
134.04713	100.0
135.03041	1.5
135.04451	18.8
135.06587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85371	0.5
53.95997	0.5
57.18611	0.6
59.01363	1.6
71.01377	4.2
72.99287	0.6
73.02937	3.2
75.00855	2.3
75.42484	0.5
81.03436	0.8
85.02937	8.9
89.02458	1.6
92.02533	6.5
101.02448	0.8
103.03994	1.1
107.03624	27.8
107.04953	1.4
116.00688	2.5
134.04709	100.0
134.86525	11.4
134.89462	1.4
135.04430	18.8
135.06586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91440	0.8
53.62657	0.6
54.95961	0.6
58.17970	0.6
59.01369	10.7
62.44096	0.7
63.68008	0.8
70.92754	1.6
71.01375	5.8
72.99298	15.3
73.02930	1.2
75.00862	100.0
76.01196	0.8
85.02953	1.8
87.00883	1.7
89.02425	7.9
98.20163	1.2
117.00808	1.3
117.01911	3.5
134.03720	1.4
135.02980	35.6
135.04489	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	135.0299
Annotation	Threonate
Peak:m/z	Relative Intensity
52.91440	0.8
53.62657	0.6
54.95961	0.6
58.17970	0.6
59.01369	10.7
62.44096	0.7
63.68008	0.8
70.92754	1.6
71.01375	5.8
72.99298	15.3
73.02930	1.2
75.00862	100.0
76.01196	0.8
85.02953	1.8
87.00883	1.7
89.02425	7.9
98.20163	1.2
117.00808	1.3
117.01911	3.5
134.03720	1.4
135.02980	35.6
135.04489	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	137.0607
Annotation	SCHEMBL9698637
Peak:m/z	Relative Intensity
64.91000	0.7
65.03954	1.6
70.69521	1.3
70.69850	0.8
81.03441	4.5
93.03448	82.2
94.02924	0.8
94.03777	4.3
95.05027	1.4
106.04235	17.6
107.05042	7.4
108.02168	10.2
109.02943	7.2
110.02447	1.0
119.05012	25.7
120.05322	1.5
123.03254	4.0
133.86168	0.8
135.04504	1.8
136.01645	5.3
136.86305	2.7
136.89171	2.0
137.02435	80.3
137.06065	100.0
138.01947	6.0
138.02922	3.5
138.05486	3.8
138.06499	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0196
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
54.94835	0.3
61.21128	0.4
67.01885	0.5
71.61867	0.5
87.88761	0.3
92.26565	0.3
92.27142	0.4
93.17229	0.4
94.03785	1.3
94.98048	0.5
95.05019	0.4
103.90169	0.4
108.02161	53.8
108.55717	0.4
109.02477	1.9
111.00872	2.5
138.01950	100.0
139.00377	1.4
139.02292	4.0
139.03992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0036
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
67.01885	13.7
69.25198	12.5
69.25539	2.6
83.01363	1.7
88.74251	1.1
92.99785	2.4
95.01386	3.8
95.05015	38.8
96.05308	1.6
111.00871	100.0
111.04501	4.8
112.01217	4.8
123.96903	1.2
137.99850	1.2
139.00356	46.6
139.03975	3.1
140.00697	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41448	2.0
53.00300	17.1
55.01851	3.6
59.01361	8.1
68.99817	5.5
69.03449	4.9
69.44079	18.7
71.01379	49.8
73.02984	2.4
80.99837	4.4
81.03450	4.9
82.02982	6.3
85.02938	10.7
85.49445	2.2
87.00857	8.4
96.99310	20.4
97.02930	3.8
97.06569	2.2
99.04508	6.8
102.05593	7.6
112.98795	26.0
115.00359	3.2
115.03981	3.5
124.98789	53.7
125.02403	4.8
126.94711	2.5
137.08852	2.1
140.98323	11.3
142.99841	100.0
143.03503	8.3
143.07095	2.5
143.10738	3.3
144.00209	4.0
144.04532	4.2
144.06685	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	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55675	6.3
53.00311	15.6
55.01870	10.4
59.01367	61.6
60.63181	5.4
71.01370	100.0
71.05014	7.3
80.99827	8.2
81.03429	26.9
85.02933	18.8
86.17247	5.4
87.00863	16.5
96.99298	8.9
97.02920	9.0
98.19817	10.8
99.00882	7.4
99.04530	11.3
112.98803	29.2
114.05621	7.2
114.06992	5.1
115.00365	5.7
123.14454	5.1
124.98783	53.6
130.15439	4.8
135.78900	5.1
142.99837	97.0
143.03403	7.5
144.04582	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	144.0454
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
67.13618	0.1
69.40594	0.6
69.41019	0.5
71.01373	0.1
91.51796	0.1
111.42944	0.1
116.05046	2.0
116.48336	0.2
117.03428	0.4
126.03457	0.9
128.68683	0.1
142.02934	0.2
144.04535	100.0
145.02988	0.3
145.04884	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	145.0141
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
57.03444	25.0
69.29646	46.1
69.29957	12.4
70.30267	5.8
71.01358	9.5
73.02944	22.0
83.01395	5.5
98.20656	10.6
101.02433	100.0
102.05602	9.0
113.71439	5.5
115.28412	5.8
145.01396	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	145.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18510	4.2
55.01871	4.9
57.03440	17.4
59.01363	5.9
63.03168	4.3
70.34032	7.7
70.34428	9.9
71.01385	20.9
72.99291	8.7
73.02937	15.6
74.02486	6.2
83.01371	7.2
86.03780	3.9
87.00852	17.0
99.00870	7.5
101.02435	100.0
102.05605	7.5
112.98753	4.7
113.10420	4.0
115.00357	17.8
127.00389	8.3
132.27362	3.6
144.90504	4.3
144.96452	12.7
145.01398	17.5
146.02420	4.7
146.04581	5.8
160.42717	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	145.0142
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
51.18510	4.2
55.01871	4.9
57.03440	17.4
59.01363	5.9
63.03168	4.3
70.34032	7.7
70.34428	9.9
71.01385	20.9
72.99291	8.7
73.02937	15.6
74.02486	6.2
83.01371	7.2
86.03780	3.9
87.00852	17.0
99.00870	7.5
101.02435	100.0
102.05605	7.5
112.98753	4.7
113.10420	4.0
115.00357	17.8
127.00389	8.3
132.27362	3.6
144.90504	4.3
144.96452	12.7
145.01398	17.5
146.02420	4.7
146.04581	5.8
160.42717	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	145.0293
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.04792	0.7
52.16139	0.7
57.10050	0.8
61.20085	0.7
72.51537	0.7
89.03960	1.0
91.40677	0.7
117.03455	100.0
118.03804	4.5
136.58203	0.9
145.02937	59.0
146.03279	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	145.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75347	3.9
57.03442	100.0
57.41137	3.4
58.59654	3.8
59.01377	22.4
64.00740	3.7
69.49157	27.3
69.49552	6.8
71.01373	45.6
71.05011	37.9
72.63445	3.8
73.02947	18.4
80.40728	3.7
81.03452	6.2
83.01374	6.9
83.05018	54.6
85.02937	21.0
87.00874	5.1
99.04498	39.6
101.02435	8.2
101.06062	55.7
102.05592	15.4
109.02952	7.7
112.77070	3.6
118.64180	4.0
127.00391	3.6
127.03993	64.4
128.03511	7.1
129.62706	4.5
145.01530	4.7
145.05054	93.4
146.05432	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	145.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52350	4.9
57.03175	9.1
57.03442	100.0
59.01369	20.7
69.79556	27.8
71.01380	45.4
71.05016	42.8
72.02187	6.1
72.99283	5.4
73.02946	19.2
77.65096	4.8
81.03452	6.1
83.05017	53.5
85.02950	20.0
88.02135	4.6
98.19841	5.8
99.04507	33.6
101.06065	56.6
102.05600	6.0
109.02925	5.6
111.64639	4.9
115.00351	6.1
127.04001	66.1
128.03528	5.6
138.05676	5.7
140.86830	4.6
145.05058	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0297
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
53.17558	2.3
53.36529	2.0
57.03439	30.8
57.50681	1.9
59.01367	14.8
61.90548	2.0
67.05545	1.9
67.60297	2.0
69.98236	10.3
69.98566	2.8
71.01367	16.7
71.05016	2.5
73.02935	4.0
75.00854	2.9
85.02937	100.0
87.00864	94.4
97.24165	2.0
100.31437	2.2
101.02426	22.2
101.06042	7.5
103.03986	26.4
115.00359	12.3
129.01924	77.5
130.02251	5.4
147.02969	39.8
147.06616	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	147.045
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01850	5.0
57.03452	6.3
59.01377	25.6
69.53078	17.9
69.53490	9.2
71.01376	80.5
72.99285	4.0
75.00855	8.0
76.28829	3.6
85.02946	4.5
89.02448	7.7
98.20573	8.5
99.00858	41.6
101.02454	4.7
103.05543	3.8
111.07423	3.5
119.04977	12.2
124.06857	4.4
129.01909	6.8
147.01923	4.6
147.03238	6.5
147.04506	100.0
148.04877	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	147.0451
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
51.02505	3.1
52.43641	2.9
57.03447	4.1
59.01361	13.8
69.41226	25.4
71.01378	29.0
72.65903	2.5
75.00888	7.5
78.93567	2.7
81.46413	3.1
89.02406	4.2
99.00865	14.7
103.05529	7.6
119.05016	17.2
130.94792	3.0
147.03305	5.3
147.04506	100.0
148.04884	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	149.0454
Annotation	L-xylulose
Peak:m/z	Relative Intensity
54.20740	1.7
59.01377	22.0
69.03462	2.2
69.17092	1.8
70.96383	3.9
71.01369	33.6
73.02943	26.5
75.00859	15.7
85.02956	3.2
87.00868	10.7
89.02432	100.0
89.98728	1.6
101.02470	2.0
103.03990	15.9
117.32753	1.7
121.02964	2.6
124.13084	2.0
131.03503	10.6
137.11613	2.5
149.04539	55.6
150.04839	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	149.0454
Annotation	beta-D-Arabinopyranose
Peak:m/z	Relative Intensity
55.01870	2.7
59.01372	24.5
59.54843	1.7
69.03448	3.3
71.01376	36.6
71.16968	2.3
71.17301	3.3
72.99297	5.9
73.02934	30.0
75.00861	15.2
80.76819	1.9
85.02963	4.9
86.96511	1.8
87.00859	11.2
89.02433	100.0
93.03450	2.6
101.02435	2.2
103.04000	12.0
113.59464	1.9
121.02964	6.7
129.88686	2.0
131.03491	13.8
149.02524	4.2
149.04546	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
55.06863	1.2
55.86341	1.4
59.01370	21.7
69.03458	3.1
70.85172	3.5
71.01375	37.2
72.99296	6.7
73.02941	29.5
75.00865	12.5
81.44716	1.7
85.02930	2.8
87.00864	16.7
88.01208	1.5
89.02435	100.0
90.02778	1.7
91.56175	1.4
95.20548	1.3
101.02453	2.4
103.03997	11.6
104.98432	1.6
121.02945	5.7
131.03456	8.1
149.00832	3.5
149.02541	3.3
149.04543	60.5
150.04831	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	149.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02917	0.4
51.43961	0.4
59.01386	1.1
65.00316	0.5
71.01364	1.3
71.62688	0.6
77.03962	1.0
80.21896	0.4
86.54465	0.4
88.08340	0.3
89.02440	1.6
93.03450	3.9
94.99307	0.8
95.01361	0.7
95.05001	1.0
103.05537	0.5
104.97723	0.4
105.03477	0.5
106.04224	0.4
108.02138	2.1
110.37295	0.5
121.02940	11.0
122.03778	3.5
124.01633	0.5
131.05032	0.7
131.58238	0.4
134.03725	1.6
137.02417	0.6
139.03984	1.0
141.01129	0.4
147.04485	3.8
148.05293	9.4
148.96718	0.5
149.02435	13.7
149.06061	100.0
150.00151	0.6
150.02904	1.0
150.05482	0.5
150.06429	5.4
154.02704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0399
Annotation	Vanillin
Peak:m/z	Relative Intensity
59.01370	0.7
59.65009	0.2
63.40294	0.2
66.03481	0.5
67.01877	0.3
68.99815	0.2
69.03455	0.4
70.94009	0.2
70.94341	0.3
71.01376	1.4
72.89089	0.2
73.02940	0.6
79.01895	0.3
83.01365	0.2
89.02426	1.0
92.02654	0.3
95.01396	1.4
101.02441	1.0
107.04998	0.9
108.02170	5.5
109.02951	0.3
116.60931	0.2
122.03702	0.7
123.00867	0.3
123.03712	0.2
123.04522	2.9
136.01648	100.0
137.01987	3.7
151.03992	14.1
151.05199	0.4
151.06056	0.7
151.07446	0.2
152.03331	0.3
152.04361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18953	0.6
59.01363	2.3
59.16154	0.5
66.03487	1.7
68.99824	0.5
70.88831	1.4
71.01368	3.4
73.02937	1.7
77.03959	1.1
78.06571	0.6
79.05492	0.5
81.03038	0.5
81.03450	3.1
85.94310	0.5
89.02423	1.5
93.03440	1.9
95.01384	2.6
95.04990	4.0
98.47905	0.6
101.02437	2.4
105.03451	8.3
107.01387	1.6
107.05013	4.2
108.02161	11.0
108.04493	0.8
109.02930	2.1
117.01896	0.7
121.02960	4.5
122.03720	17.2
123.00919	2.8
123.04510	100.0
124.01668	0.9
124.04872	3.7
125.02428	0.6
133.02946	3.7
134.03682	1.5
136.01642	62.8
137.02069	1.9
139.03929	1.0
149.02423	2.7
150.03201	4.1
151.03987	71.9
151.06020	2.2
152.01088	0.6
152.04385	2.4
154.02696	1.9
162.34024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.83072	0.5
58.30663	0.5
59.01135	0.6
59.01376	7.9
65.03941	0.9
66.03466	3.8
66.04290	0.6
67.01877	1.3
69.02693	0.6
71.01373	13.3
71.32731	1.2
72.99349	0.5
73.02943	5.0
73.58631	0.6
75.00870	0.5
80.45181	0.6
81.03450	0.8
83.01392	1.3
85.02943	0.8
89.02429	7.7
91.05521	29.4
92.05840	1.2
93.03441	1.7
95.01357	2.0
95.05055	1.1
99.04539	0.9
101.02444	9.2
105.03442	0.8
107.01389	1.0
107.05016	6.5
108.02165	4.5
109.02950	1.4
117.01954	1.8
119.05012	100.0
120.05357	5.1
121.02934	12.4
121.06604	1.0
122.03738	4.9
123.04515	22.6
124.01626	0.7
124.04832	1.2
136.01645	30.2
136.05280	10.9
137.02049	1.2
149.88898	0.6
151.03995	44.3
151.06114	6.7
151.07634	25.6
151.87396	0.8
152.03328	3.3
152.04498	1.2
152.08032	1.4
154.02768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
59.01377	5.5
63.02396	1.0
66.03485	4.5
69.03436	0.7
71.01379	10.0
73.02928	3.1
80.31554	0.7
81.03427	0.9
85.02953	0.8
89.02419	5.8
93.03470	0.9
95.01375	2.1
95.05036	1.2
101.02433	6.4
105.03485	1.1
107.05014	7.6
108.02169	8.7
108.04521	1.1
109.02960	2.4
117.01916	1.3
119.03575	0.8
121.02955	1.7
121.06580	1.5
122.03746	4.3
123.00909	3.2
123.04517	19.9
124.04043	0.9
124.04854	1.2
133.05026	0.8
133.06548	1.2
136.01649	100.0
137.01941	5.4
151.00418	1.1
151.03998	43.5
151.06111	3.6
151.07581	7.2
152.01125	1.0
152.03372	1.7
152.04404	2.2
152.07069	0.8
154.02673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0352
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
56.52472	0.2
59.85119	0.2
60.36892	0.2
66.03481	1.7
67.01836	0.2
69.03453	0.3
69.61981	1.2
81.03452	0.4
90.15519	0.2
95.05015	0.6
98.20600	0.4
108.02173	2.1
108.04516	0.3
109.01720	0.4
109.02938	8.0
110.00115	0.6
121.02943	0.9
122.03728	36.0
123.04521	29.0
124.04875	0.6
125.02425	0.5
135.04520	0.4
137.01144	0.6
137.02036	0.3
137.99567	0.6
151.00323	0.6
152.03513	100.0
153.01952	3.2
153.03845	3.5
153.05547	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	153.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49238	0.2
71.37231	0.4
72.20461	0.2
81.03439	0.8
84.53181	0.2
93.03457	0.6
95.01395	0.5
95.05026	1.9
97.67191	0.2
99.03391	0.2
103.65412	0.2
105.03497	0.2
108.02170	0.5
108.93461	0.2
109.02936	1.3
110.00077	0.7
110.92036	0.2
122.03737	2.3
123.04511	100.0
124.04836	4.2
125.02431	0.4
137.99580	0.5
153.02005	1.1
153.05557	16.6
154.02611	0.3
154.05925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0556
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
51.58311	0.2
81.03456	0.4
93.03448	0.6
95.05006	1.9
98.20635	0.5
105.03442	0.4
108.02156	0.4
109.02953	0.6
121.02914	0.3
122.03737	2.1
123.04511	100.0
124.04840	4.1
138.94446	0.2
153.05557	18.2
154.05888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0919
Annotation	Levodione
Peak:m/z	Relative Intensity
50.75568	0.9
52.04221	0.9
52.24246	0.9
63.69484	0.7
65.34301	0.7
69.73275	5.1
81.03448	0.9
88.32772	0.9
95.05013	1.1
108.02165	1.5
109.02941	11.8
110.00102	2.4
110.03306	1.0
121.68777	0.8
122.03754	1.5
123.04517	55.3
124.04048	1.0
124.04856	2.3
125.02420	1.3
137.46246	0.8
137.99579	2.6
153.00139	1.0
153.01920	6.0
153.05600	10.3
153.09196	100.0
154.01323	0.9
154.09564	5.3
160.66447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1077
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.01882	0.6
57.03437	1.6
59.01369	1.6
67.01876	0.6
69.03446	1.8
73.02961	0.6
83.01381	1.2
83.05024	0.9
85.02949	1.4
88.39468	0.4
90.37305	0.4
93.03433	0.8
97.02905	0.7
98.03729	0.9
101.25127	0.5
109.02920	0.8
109.06572	7.7
110.06871	0.4
111.04523	1.1
111.08145	100.0
112.08468	4.6
113.02390	0.5
114.05596	3.2
125.05156	0.9
127.00320	0.6
127.11277	7.1
137.02388	0.8
137.09712	12.0
138.09996	0.6
140.01167	1.2
146.06096	1.5
154.99782	0.5
155.03499	1.4
155.10760	45.4
156.06631	0.8
156.11102	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	157.0504
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
63.56100	0.4
67.05505	0.4
69.43731	2.3
70.27722	0.4
75.93702	0.4
113.06074	100.0
114.06380	3.4
157.05054	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	157.0868
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
56.31042	0.8
57.03428	1.1
59.01375	16.6
67.05520	2.4
69.03444	2.3
69.53807	5.2
69.54224	1.7
71.01369	11.1
83.05018	2.1
84.99301	3.1
85.02921	0.8
95.05026	1.4
98.20690	1.5
99.00904	2.0
99.43913	0.9
109.06565	7.0
111.08134	4.1
113.06054	1.2
121.06603	1.5
126.60399	0.9
127.00382	2.8
127.07641	42.6
128.07977	1.1
139.07631	27.8
139.96379	0.9
140.08000	1.4
155.07048	1.2
157.08682	100.0
157.12309	3.4
158.09076	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	157.0868
Annotation	CIS-3-HEXENYL METHYL CARBONATE
Peak:m/z	Relative Intensity
59.01373	100.0
60.01701	1.1
63.11942	0.5
69.63217	3.1
97.06585	4.0
127.00299	0.6
157.08688	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	157.1233
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
56.78468	0.4
58.20210	0.3
59.01372	16.5
60.01712	0.4
61.98817	0.7
68.99829	0.7
69.03456	0.4
69.87601	2.0
71.01386	0.9
71.21320	0.4
75.00867	4.1
76.36419	0.4
78.16130	0.4
83.05036	0.4
84.99297	2.1
85.02961	0.6
87.00857	0.7
93.11348	0.4
94.64725	0.4
95.05005	1.0
96.96008	3.3
98.95586	0.8
99.00867	1.3
112.92235	1.1
127.00361	7.4
128.05040	3.3
130.06628	3.5
141.69966	0.4
156.86510	0.4
156.89413	0.6
157.01372	1.2
157.05096	1.0
157.08875	1.9
157.12320	100.0
157.86293	0.7
158.06113	5.6
158.12666	4.8
172.04099	0.6
178.95605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86728	0.5
52.50091	0.4
54.65098	0.5
55.01880	1.8
56.03961	0.4
57.03435	4.6
58.02970	2.6
59.01371	23.4
60.01707	0.7
68.99813	1.5
69.03449	2.2
71.01379	6.8
71.05009	3.3
72.99308	2.2
73.02934	7.4
75.00893	0.7
83.01372	4.6
85.02943	8.8
86.06071	0.7
87.00858	4.4
87.04511	2.2
95.04980	1.0
96.04536	0.6
97.02941	6.0
97.06580	1.2
99.00876	3.5
99.04500	1.9
101.02437	5.3
103.37734	0.5
111.00871	4.7
112.04049	1.3
113.02439	3.6
113.06041	0.8
114.05585	2.6
114.06322	0.7
114.09227	5.8
115.03994	5.7
116.07159	100.0
117.05568	13.4
117.07475	2.7
128.05029	1.0
129.01923	6.5
130.06604	0.9
134.75323	0.5
141.01878	3.0
158.04578	1.6
158.06067	1.8
158.08189	19.2
158.89264	5.4
159.02977	13.2
159.04321	0.6
159.06587	1.8
159.08591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0821
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
50.86728	0.5
52.50091	0.4
54.65098	0.5
55.01880	1.8
56.03961	0.4
57.03435	4.6
58.02970	2.6
59.01371	23.4
60.01707	0.7
68.99813	1.5
69.03449	2.2
71.01379	6.8
71.05009	3.3
72.99308	2.2
73.02934	7.4
75.00893	0.7
83.01372	4.6
85.02943	8.8
86.06071	0.7
87.00858	4.4
87.04511	2.2
95.04980	1.0
96.04536	0.6
97.02941	6.0
97.06580	1.2
99.00876	3.5
99.04500	1.9
101.02437	5.3
103.37734	0.5
111.00871	4.7
112.04049	1.3
113.02439	3.6
113.06041	0.8
114.05585	2.6
114.06322	0.7
114.09227	5.8
115.03994	5.7
116.07159	100.0
117.05568	13.4
117.07475	2.7
128.05029	1.0
129.01923	6.5
130.06604	0.9
134.75323	0.5
141.01878	3.0
158.04578	1.6
158.06067	1.8
158.08189	19.2
158.89264	5.4
159.02977	13.2
159.04321	0.6
159.06587	1.8
159.08591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0297
Annotation	D-2,3-Diketo 4-deoxy-epi-inositol
Peak:m/z	Relative Intensity
51.68587	0.9
55.01868	5.7
57.03430	6.5
59.01369	15.2
63.25475	0.9
64.34094	0.9
67.01875	1.4
68.72668	0.9
68.92553	0.9
68.99812	9.3
69.03438	4.8
71.01375	36.1
72.99311	6.2
73.02939	100.0
74.03272	1.5
75.00857	4.9
75.12679	0.9
83.01374	13.7
85.02948	12.5
87.00864	43.5
94.46142	0.9
95.01371	3.2
97.02931	2.4
98.20644	2.1
99.00869	15.1
101.02432	42.1
102.02700	1.0
111.00864	47.0
112.01223	1.1
113.02441	23.3
116.92829	2.5
123.00887	1.2
129.01929	50.3
129.05309	1.0
130.02232	1.4
141.01958	1.3
159.02966	92.5
159.10359	1.6
159.11743	4.8
160.03296	3.3
174.63448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.024
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
51.78931	0.3
55.01869	0.3
57.03439	1.0
59.01370	5.4
66.41656	0.3
69.03456	0.4
70.92715	0.6
70.93032	0.4
71.01369	4.1
72.99303	0.4
73.02943	2.6
74.03314	0.3
77.03962	0.8
81.03460	1.1
83.01389	1.4
85.02943	6.2
85.70287	0.4
87.00849	0.7
89.02445	1.3
89.03970	1.0
97.02965	0.5
99.04500	0.5
101.02450	0.9
104.02664	0.7
105.03449	2.1
113.02440	0.9
114.94332	0.3
115.01884	1.2
117.03413	0.6
131.03522	2.8
131.04474	0.5
132.02155	9.8
133.02939	100.0
134.03279	3.6
151.13945	0.3
153.34273	0.3
160.01627	0.5
161.02419	80.8
161.04576	2.2
162.02759	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	161.0242
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
55.01862	4.3
55.33850	1.3
57.03439	14.1
58.00581	3.4
58.29347	1.4
59.01372	68.2
63.51748	1.3
67.29402	1.4
69.03435	5.5
69.35919	12.0
71.01370	58.5
72.99306	13.2
73.02940	52.2
75.00849	4.9
81.03444	15.1
83.01375	22.9
84.02164	2.2
85.02942	100.0
86.03297	1.8
87.00867	7.9
87.04531	1.6
89.02432	27.1
95.01372	1.7
97.02961	8.5
99.04500	4.6
101.02429	12.8
107.94953	1.3
113.02441	9.8
125.02435	2.5
129.01936	2.2
131.03487	56.6
132.02139	5.8
133.02945	38.9
133.03969	2.2
134.03273	1.6
143.03481	1.8
146.93501	1.2
152.70119	1.3
154.18477	1.3
159.02936	1.4
161.02403	43.4
161.04515	51.3
161.05911	1.8
162.03094	1.6
165.05087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0454
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
55.01875	3.1
57.03440	20.1
58.00589	3.0
59.01373	73.7
62.01830	1.2
69.03433	4.7
70.18292	5.6
71.01374	68.4
71.05005	17.6
72.99303	10.0
73.02937	58.9
74.03285	1.6
75.00859	4.0
81.03454	12.5
83.01378	20.6
84.02148	2.8
85.02943	100.0
86.03279	1.9
87.00866	42.9
87.04492	2.3
89.02435	22.5
92.14107	1.4
95.01370	6.3
97.02957	7.7
97.73013	1.2
99.00842	4.3
99.04502	20.8
101.02451	11.1
113.02433	12.9
115.04001	5.8
117.05580	2.9
125.02443	2.1
127.08974	1.5
129.02031	1.5
131.03488	54.7
133.02927	2.1
133.05032	1.2
143.03493	11.5
161.04536	53.3
173.49347	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91772	0.1
65.24947	0.1
71.05844	0.3
93.03435	0.8
117.03413	0.2
119.05013	100.0
120.05357	3.1
132.37927	0.1
153.31714	0.2
163.03987	10.1
164.04288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42181	0.1
69.29581	1.1
69.29976	0.3
77.11971	0.1
78.94769	0.1
79.50482	0.1
85.67821	0.1
87.59354	0.2
93.03436	1.1
117.03474	0.2
119.05013	100.0
120.05352	3.3
122.48070	0.2
163.03989	9.5
164.04330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0398
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
54.42690	0.2
56.89516	0.2
57.03432	0.3
59.01373	2.0
69.25372	1.4
69.25777	0.3
71.01366	1.1
85.02936	2.1
89.02435	0.4
91.01889	0.3
91.05519	2.6
93.03435	1.2
98.19891	0.3
100.23059	0.2
101.02422	1.8
107.66198	0.2
113.02466	0.4
117.03404	0.2
119.05010	100.0
120.05341	3.1
131.03493	0.3
135.00882	0.3
135.04526	0.8
162.89227	0.2
163.00362	1.3
163.03990	10.4
163.06062	3.3
164.04263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1121
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01374	8.2
61.61045	1.2
61.98811	3.5
64.43926	1.2
69.30825	1.6
70.56636	4.0
71.01382	5.3
73.02916	2.3
85.02933	9.7
89.02435	3.6
91.01902	2.0
92.05088	1.7
101.02425	13.1
107.05019	1.5
108.68547	1.3
116.92084	1.9
118.99258	3.7
119.05015	35.5
120.05341	2.5
121.07661	1.2
131.03496	2.5
135.00885	1.5
147.08142	1.6
162.90231	1.9
163.00342	5.7
163.03989	4.7
163.06128	16.7
163.11269	100.0
164.11594	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	164.0714
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
52.50711	0.5
59.01322	4.3
60.01678	0.8
69.92278	0.6
69.92549	1.1
69.92954	2.1
71.01381	4.0
72.00902	39.4
73.02892	0.7
75.00851	6.9
77.03933	0.6
83.01347	0.9
85.02917	2.1
86.03229	0.6
87.00845	1.1
89.02399	1.7
91.01887	0.7
91.05478	2.1
93.03462	2.9
98.20004	1.3
101.02399	1.8
102.02729	0.6
103.03969	0.6
103.05492	3.5
108.02123	0.9
109.02913	2.5
116.17465	0.5
118.06606	1.0
119.05009	3.7
120.04505	0.7
120.05335	8.2
121.02934	16.5
121.06551	1.1
124.01685	0.7
136.01671	0.7
137.01431	0.9
137.02432	13.5
137.06023	0.8
147.04503	100.0
148.04861	4.4
150.03123	3.0
164.00826	0.8
164.07161	57.3
165.01909	13.9
165.04109	3.7
165.05545	2.1
165.07626	5.1
179.62541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14432	0.4
59.01373	3.8
71.01376	2.5
71.61350	0.4
72.99283	1.3
73.02934	0.6
75.00854	2.6
77.03960	0.8
77.16697	0.5
80.47017	0.4
81.03495	0.5
85.02954	1.3
87.00867	3.5
89.02438	1.5
91.01893	0.9
93.03452	3.7
95.05018	1.1
99.00837	0.6
101.02436	1.7
105.01907	2.9
108.02168	1.3
109.02913	2.2
119.05017	1.4
121.02944	100.0
122.03305	2.5
123.00900	0.6
123.04509	2.7
129.01898	0.6
135.04518	1.0
137.02435	6.1
137.06102	1.1
138.03160	0.6
138.05525	0.5
139.04030	0.4
147.03198	0.4
147.04486	2.7
149.00964	1.0
150.03201	9.3
164.89734	0.6
165.01917	13.2
165.04062	3.3
165.05540	6.1
165.06638	0.6
165.07742	0.9
165.09230	1.3
166.02554	0.7
166.05017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
69.80250	1.8
71.01376	0.7
75.00909	0.7
77.03960	1.9
82.01670	0.3
87.00860	3.1
90.56727	0.3
93.03462	1.9
95.05025	0.4
98.20547	0.4
99.00876	0.4
101.02462	0.4
105.01926	2.5
108.02168	0.4
109.02946	0.4
119.04964	0.4
121.02942	100.0
122.03162	2.3
123.04508	1.1
135.04532	0.4
137.02412	1.2
137.06097	0.4
147.04553	0.5
150.03214	4.5
161.12021	0.4
165.01920	10.7
165.04053	2.0
165.05537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0402
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
54.22918	0.8
55.01864	1.3
57.03429	2.2
59.01372	10.3
70.94307	2.0
71.01383	6.6
71.23389	0.7
72.99300	8.2
75.00864	100.0
83.01371	1.4
85.02956	2.4
87.00870	12.1
89.02435	3.2
99.00871	3.3
101.02471	2.0
105.01938	8.0
111.00832	1.7
129.01936	12.9
147.02982	9.2
165.04024	48.5
166.04375	1.7
177.68753	0.7
179.01709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02969	0.5
55.01867	1.4
57.03448	2.3
58.00579	0.7
59.01371	16.0
70.87714	0.6
70.88068	1.0
71.01375	11.0
72.16124	0.5
72.99299	7.5
73.02937	1.8
75.00863	100.0
76.01205	1.0
81.03438	0.7
83.01377	1.5
85.02948	3.6
86.71732	0.5
87.00864	10.0
87.01355	0.8
89.02437	6.8
99.00863	3.5
101.02431	4.4
105.01919	5.3
111.00865	2.2
113.01563	0.5
115.03980	0.7
117.01931	1.4
119.03535	0.9
121.02927	0.9
128.08546	0.5
129.01929	14.0
137.02419	0.8
147.02982	9.9
147.06621	1.1
149.24979	0.5
162.29898	0.5
165.04018	55.7
165.07666	4.1
165.11540	0.6
166.04375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0554
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.14917	0.3
51.56822	0.3
54.94836	0.3
58.30914	0.3
59.01367	0.4
67.01884	1.5
68.99803	1.4
69.03442	5.2
69.44334	2.2
71.01383	0.7
72.99290	0.7
73.02946	0.3
75.00877	0.7
77.03973	0.4
79.01884	0.4
80.02679	0.3
81.03441	0.6
84.35619	0.3
87.00864	1.1
87.24972	0.3
89.02405	0.4
93.03452	3.0
95.01375	2.1
95.05015	48.0
95.92033	0.4
96.05332	1.0
105.01913	1.0
105.03469	0.7
106.04144	0.7
108.02177	4.0
119.04994	1.3
121.02941	100.0
121.06551	1.5
122.03244	2.9
123.04510	63.9
124.04876	1.8
137.02428	0.7
137.06058	2.2
147.04497	2.8
147.14278	0.3
150.03175	1.8
158.95972	0.3
164.38100	0.3
165.01947	1.7
165.04034	1.3
165.05547	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	166.0507
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
69.00919	1.0
71.01358	0.9
71.60538	0.9
71.75844	0.6
72.01688	0.8
75.00880	3.5
76.01180	0.9
78.95881	0.9
81.03439	1.8
92.05063	4.1
93.03437	2.8
94.02975	1.5
95.01379	1.1
95.04999	3.0
96.02010	2.1
97.02904	0.8
108.02149	4.4
108.04545	83.7
109.02943	5.3
109.04865	1.9
111.04517	0.7
120.04544	4.1
121.02954	3.7
122.02436	1.8
122.03209	1.1
122.06078	1.1
123.00852	1.4
123.03197	0.9
123.04516	20.7
124.01516	12.4
132.44173	0.7
136.04028	9.8
137.02415	3.1
138.05592	100.0
139.03989	2.8
139.05939	3.1
149.02455	2.3
150.25183	0.6
152.01131	8.2
152.03433	1.8
164.03416	1.1
166.05086	59.8
167.02094	17.9
167.03491	21.2
167.05479	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
58.02969	100.0
59.03318	0.7
61.98819	4.2
63.08293	0.3
68.99807	0.4
69.03443	0.9
70.02991	0.6
70.70864	0.5
70.71194	0.5
78.95890	0.6
81.03465	0.5
82.02909	0.3
82.95408	4.2
87.00868	0.5
96.79601	0.3
97.02943	0.9
108.04539	0.5
109.02523	0.4
123.04542	0.6
124.04843	0.8
125.02435	10.5
125.06078	0.4
125.09718	0.4
126.90346	1.0
139.00369	1.2
151.11292	0.6
153.01561	1.4
153.99004	0.5
154.02660	0.4
154.05084	0.3
168.03868	0.4
168.06671	0.5
168.13907	10.9
168.83604	0.3
168.99028	0.3
169.01433	3.9
169.05101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9892
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42181	1.0
85.10061	1.2
93.61388	1.1
95.04981	2.1
119.77225	1.3
125.02427	3.9
137.06041	1.6
139.00377	3.9
168.98920	100.0
169.05173	1.3
169.08687	1.3
169.99234	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	171.1025
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
55.01862	1.5
59.01371	3.3
59.07658	0.7
60.99286	1.5
61.98818	2.6
63.77102	0.7
65.00310	1.2
68.99811	1.8
69.31250	1.2
69.31647	5.4
71.01372	1.3
83.01395	1.5
83.05021	2.0
88.98796	3.6
89.02431	11.6
97.02934	1.0
98.20587	1.4
99.00874	7.5
99.04517	1.6
99.08162	1.0
99.92570	1.4
109.02981	0.9
113.02485	0.8
114.44646	0.7
116.04980	0.9
123.00880	0.9
125.02434	0.8
125.09696	3.0
127.00335	0.9
127.07651	12.4
127.11273	5.0
135.04434	1.1
141.01884	0.8
144.04532	7.8
149.27669	0.7
152.98312	1.0
153.09215	0.9
171.01952	4.2
171.06667	2.0
171.10243	100.0
171.13747	5.0
172.04025	5.7
172.10559	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	171.1025
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
51.44170	0.4
55.01863	1.3
55.16952	0.4
57.03444	0.6
59.01374	2.4
61.98819	1.4
62.13773	0.4
64.17059	0.4
68.99560	1.5
68.99863	0.7
70.51425	1.0
71.01358	1.0
74.27427	0.4
74.96194	0.5
76.95757	2.9
80.94611	0.4
83.05022	0.9
85.02974	0.5
87.00860	0.7
88.98800	1.8
89.02437	7.9
94.21787	0.4
96.96013	0.6
99.00890	3.4
99.08148	0.8
99.92575	0.7
107.02544	0.4
109.02962	0.4
109.06574	0.8
111.00903	0.4
112.98553	3.0
123.08173	0.5
125.02505	0.5
125.09705	2.8
127.07643	5.0
127.11292	5.2
141.01959	0.5
144.04521	3.9
152.98314	0.5
153.09172	1.5
171.01877	2.0
171.10254	100.0
171.13866	2.3
172.03999	2.2
172.10599	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	171.1026
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
52.84000	0.4
55.01848	0.4
57.03457	0.4
59.01371	0.8
60.53175	0.4
67.99567	0.4
71.01355	0.6
73.02949	0.4
73.96494	0.4
83.05041	0.5
85.02969	0.5
94.69305	0.4
99.00889	0.4
99.04526	0.5
99.08142	1.1
109.06560	0.6
111.08108	0.7
124.55366	0.5
125.09699	2.8
126.99554	0.7
127.07619	3.8
127.11272	5.8
144.04544	6.3
153.09192	2.0
171.01978	1.4
171.10246	100.0
172.04015	2.5
172.10605	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	172.0978
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.03005	1.4
59.01373	19.7
60.99326	0.6
67.01884	4.6
69.03486	1.3
69.65862	1.4
69.66277	1.4
71.01419	1.5
72.99339	0.5
74.85104	0.4
81.03451	0.8
82.06635	0.6
85.02970	0.7
85.06577	4.8
92.59932	0.4
93.03448	17.4
99.04517	0.4
109.02945	0.6
111.00906	1.6
111.04493	2.2
113.06084	3.0
128.08002	0.5
128.10805	2.3
130.08725	100.0
131.07126	23.9
131.09050	2.6
144.04570	0.4
155.03424	0.5
172.09721	14.9
173.04533	8.3
173.08134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0089
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00299	1.8
55.01868	7.6
57.03444	7.2
59.01372	17.0
60.99305	2.2
67.01884	11.1
68.99802	4.2
69.03455	3.4
71.01373	100.0
71.60239	1.8
72.01723	1.7
72.99300	10.8
73.02930	13.7
75.00866	2.8
80.99807	1.8
81.03441	1.8
83.01373	13.9
83.05038	2.8
84.04588	1.3
85.02935	12.7
85.06579	2.8
87.00866	8.4
88.56205	1.2
93.03441	38.4
96.99304	2.7
97.02929	1.1
99.00869	42.4
99.04505	1.9
101.02419	7.3
111.00863	16.4
111.04510	13.8
111.08145	2.3
112.98798	49.5
113.02404	2.4
115.00368	9.3
124.98791	20.6
125.02415	1.6
129.01930	4.6
129.05585	2.1
131.08246	8.9
137.02434	1.2
140.98286	1.8
142.99847	52.1
145.01437	5.9
155.03496	3.4
155.07320	1.1
173.00903	10.7
173.04559	10.6
173.08194	3.7
173.09444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0089
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00295	2.1
55.01874	5.7
57.03435	10.9
58.02956	2.3
59.01373	30.3
60.01680	1.0
60.99287	2.9
65.03963	1.5
66.92825	1.0
67.01881	22.0
67.05526	5.0
68.99798	4.4
69.03450	10.5
71.01374	100.0
71.05000	3.1
71.60005	1.2
72.01733	1.5
72.99298	21.3
73.02937	20.6
74.02466	1.2
75.00867	4.6
78.95881	1.1
80.99807	1.2
81.03439	4.7
83.01376	13.2
83.03958	0.9
83.05012	13.8
85.02941	40.1
85.06573	9.9
87.00862	12.4
87.04511	1.4
87.05627	1.9
88.04045	1.1
93.03445	98.5
94.03758	1.4
95.01371	2.9
96.96975	1.2
96.99302	2.7
97.02943	5.4
99.00234	1.9
99.00866	32.1
99.04507	10.6
99.08176	1.8
100.07661	1.2
101.02426	10.2
102.91451	0.8
109.02943	2.9
111.00128	2.0
111.00868	29.4
111.04506	65.4
111.08125	2.5
112.98792	32.9
113.02430	10.6
113.06037	1.0
115.00369	7.6
115.03967	1.1
124.98794	20.8
125.02391	4.7
127.03987	2.8
128.07120	2.0
129.01945	7.1
129.05563	22.6
129.07532	1.0
129.10298	1.4
131.03450	1.0
131.07288	0.9
131.08208	4.6
137.02399	8.1
140.98233	1.5
142.99844	50.7
143.03494	2.8
145.01366	2.8
145.02919	1.2
154.99812	1.8
155.03491	18.0
172.83057	1.8
173.00945	13.6
173.04517	56.9
173.07932	5.7
173.09334	2.5
174.07626	2.3
190.25790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0452
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
52.38104	0.3
57.03448	2.3
57.61693	0.2
58.00576	0.5
59.01373	6.0
60.99298	1.3
63.33162	0.3
65.03967	0.3
67.01884	15.6
69.03449	3.6
70.23102	0.9
70.23448	0.5
71.01373	7.6
71.05038	0.4
72.99312	0.6
74.31446	0.3
81.03442	2.3
83.01385	0.3
83.05029	2.3
85.02960	1.6
86.49806	0.3
87.00879	0.4
93.03448	71.3
94.03793	1.1
95.01376	0.5
99.00837	0.4
99.04485	0.7
108.02152	0.4
109.02940	2.6
111.00840	0.4
111.04508	10.0
113.02450	0.9
115.04024	0.4
127.04002	0.9
131.07118	1.0
133.80070	0.3
137.02509	1.7
137.03329	0.3
151.89017	0.3
154.84862	0.3
155.03452	1.7
173.04521	100.0
174.04906	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	173.0453
Annotation	Shikimate
Peak:m/z	Relative Intensity
53.00306	1.8
55.01869	5.8
57.03436	13.1
59.01373	24.4
60.99300	3.7
67.01878	23.3
67.05503	7.2
68.99789	2.4
69.03445	8.3
71.01376	86.3
71.04992	3.1
72.01738	1.6
72.99308	9.8
73.02939	17.6
75.00860	1.9
81.03450	4.0
83.01369	11.8
83.05007	19.3
85.02944	23.2
85.06584	19.6
87.00866	22.6
93.03446	88.4
94.03769	1.5
96.99284	2.9
97.02942	4.5
99.00870	32.2
99.04525	7.6
101.02416	8.5
109.02923	3.2
111.00871	31.9
111.04504	83.8
111.08145	3.5
112.04839	1.5
112.98796	34.4
113.02442	11.7
113.06065	1.9
115.00365	6.5
115.51775	1.5
124.98808	17.4
125.02410	2.5
127.03999	2.1
128.07085	1.8
129.01924	5.3
129.05565	45.4
131.08240	2.6
137.02406	7.1
140.98219	1.8
142.99843	53.2
143.03511	2.0
144.00082	1.7
145.01424	2.9
154.99843	3.3
155.03473	18.1
156.19402	1.4
173.00896	9.8
173.04514	100.0
173.07968	7.8
174.04817	1.6
191.10410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0451
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
57.03443	2.9
58.00589	0.4
59.01368	4.5
60.99304	1.7
65.03945	0.5
67.01881	16.8
69.03442	3.8
71.01373	9.1
71.05013	0.4
72.99288	0.5
73.02950	0.6
75.30455	0.3
78.20286	0.3
81.03439	2.4
82.04672	0.3
83.01404	0.5
83.05009	2.7
85.02928	2.0
87.00861	0.5
88.57128	0.3
93.03445	79.6
94.03789	1.8
95.01411	0.4
96.02193	0.4
98.19798	0.6
99.00859	1.0
99.04514	0.9
107.15679	0.3
108.02145	0.3
109.02945	2.1
111.00863	1.0
111.04501	10.3
111.08177	1.2
113.02426	0.8
127.03996	0.5
131.07101	0.6
137.02432	1.3
137.52719	0.3
141.80518	0.3
155.03477	2.1
173.04518	100.0
174.04840	2.4
175.76878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0816
Annotation	1,4-Diacetoxybutane
Peak:m/z	Relative Intensity
57.03436	4.5
59.01371	100.0
60.01715	1.3
67.01885	5.9
69.03440	1.4
69.63153	0.8
71.01373	2.9
71.60694	1.2
72.99335	0.6
80.78661	0.6
81.03450	0.7
83.05009	12.5
85.02945	1.3
85.06577	19.0
85.10764	0.6
87.00912	0.7
93.03445	25.6
97.02937	0.7
99.00858	1.5
109.06571	3.5
111.00849	1.1
111.04525	2.7
111.08141	93.7
112.08492	2.3
113.05333	1.5
113.06075	23.1
114.06371	1.0
129.09192	5.3
131.07120	97.5
132.07466	1.7
145.04880	1.9
173.04546	12.5
173.08154	39.1
173.11826	1.1
174.05609	0.7
174.08597	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	175.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	28.9
66.91263	2.0
68.99783	2.6
69.03461	2.7
70.72710	3.8
70.73050	4.9
71.01370	19.9
72.99297	4.6
73.02928	4.1
75.00845	6.1
85.02934	2.8
85.06573	43.9
87.00866	25.9
87.04478	3.4
89.46658	2.0
90.48394	2.0
98.20258	4.1
99.00903	3.1
100.98788	46.4
101.02418	3.5
110.89440	2.2
113.06074	45.7
115.00369	19.9
115.04001	100.0
124.98814	6.0
126.94811	2.1
127.96664	2.1
127.97513	30.4
130.99828	2.6
131.03465	3.0
131.07118	7.9
133.05034	3.2
135.04536	2.7
142.99840	8.2
148.98570	5.3
157.05043	12.3
174.82845	11.0
175.02397	8.3
175.03824	4.5
175.06096	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0609
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
52.48375	0.6
56.99279	0.8
57.03435	1.8
59.01371	14.6
67.01870	1.2
68.99812	1.0
69.03448	2.1
70.87699	2.0
71.01364	10.2
71.05030	1.0
72.99306	4.2
73.02931	2.0
75.00880	1.6
85.02929	2.2
85.06579	43.1
87.00369	1.3
87.00867	13.1
87.04504	2.4
93.03439	2.5
95.73442	0.7
96.99265	0.8
100.98750	1.0
101.02419	2.6
111.04500	1.3
113.02447	0.9
113.06074	42.6
114.06387	1.6
115.00363	10.2
115.03996	100.0
116.04323	1.9
117.01894	1.0
119.37680	0.7
124.98786	3.2
126.66055	0.7
127.97467	0.9
129.01892	1.1
129.05530	2.9
131.07121	9.4
133.02899	0.7
135.04510	9.0
139.28969	0.9
157.01407	1.0
157.03857	0.9
157.05035	12.1
174.89003	0.8
175.02458	2.6
175.06088	62.4
176.04015	1.2
176.06430	1.7
179.03513	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	176.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01373	11.7
60.99305	0.9
63.18198	0.6
66.03457	0.8
67.01883	6.6
68.99846	0.9
69.03445	2.1
69.14528	0.6
69.42612	1.6
69.43036	3.6
71.01361	3.2
75.00858	0.6
77.03959	3.3
81.03442	3.9
83.01347	1.0
83.05021	2.8
85.02943	6.2
87.00866	8.4
89.03970	1.7
91.05538	0.8
93.03452	24.7
93.06981	0.6
94.03773	0.8
95.01332	1.1
95.05012	4.6
99.00854	1.6
99.04501	1.2
104.02646	0.8
104.45253	0.6
105.03449	16.6
106.04224	0.8
107.05005	1.1
108.02172	2.8
109.02947	5.9
111.00832	1.2
111.04507	4.5
111.38696	0.6
112.53075	0.6
117.03452	0.8
119.05000	1.1
121.02953	2.2
123.04533	1.8
129.01947	4.3
131.05028	1.2
132.02153	1.0
133.02942	43.5
134.03728	6.6
135.04512	100.0
136.04839	7.1
137.02461	2.9
139.03969	0.8
147.04453	1.1
148.01651	1.0
148.05193	0.8
149.02422	2.2
149.06087	1.1
155.03510	1.4
161.02417	5.6
162.03200	22.2
162.04562	1.2
166.02661	0.8
173.04573	1.5
176.01199	1.6
176.04005	17.0
176.54167	2.2
177.01909	20.5
177.05501	6.0
178.02664	1.8
179.03473	72.7
180.03833	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	177.0192
Annotation	Esculetin
Peak:m/z	Relative Intensity
52.85266	0.2
59.01373	4.7
59.90482	0.3
70.04962	1.1
71.01368	0.8
76.98961	0.2
77.03961	0.9
81.03449	2.2
85.02923	0.2
89.02457	0.3
89.03961	8.2
92.06007	0.2
93.03463	2.0
95.05010	1.2
97.02953	0.2
105.03452	14.3
107.01382	0.8
109.02949	0.5
121.02938	1.5
121.60506	0.2
123.04488	0.4
123.33735	0.3
129.01910	0.6
133.02951	28.6
134.03328	0.5
139.03975	0.6
149.02431	3.7
155.22676	0.3
162.03217	6.0
163.03654	0.4
177.01915	100.0
178.02274	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	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20285	0.3
59.01370	0.7
62.61690	0.2
65.18172	0.2
70.19598	0.3
70.44862	0.6
70.45216	0.4
71.01378	0.2
87.00850	0.7
96.95990	0.5
101.02393	0.4
119.93731	0.9
134.96077	43.8
135.04483	0.2
135.96127	2.3
136.01582	0.3
136.93997	100.0
137.94069	5.2
151.92706	14.5
151.93988	0.4
152.92778	0.6
161.04514	0.4
178.95049	70.3
179.05620	0.5
179.95137	4.4
196.96159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
63.32591	0.2
69.70692	0.9
69.71101	0.3
71.01377	0.6
75.00861	0.3
86.57360	0.2
91.05541	0.5
107.05018	2.0
117.03461	0.5
133.02972	0.2
134.03734	5.7
135.04510	100.0
136.04837	3.1
161.04507	0.2
169.16183	0.2
179.03477	19.1
180.03857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0348
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01359	0.7
63.12656	0.3
64.01973	0.3
70.17117	0.7
71.01392	0.5
75.39576	0.3
87.00838	0.3
87.08308	0.3
90.79339	0.3
91.05502	0.5
106.04259	0.4
106.13694	0.3
107.05014	1.7
117.03479	0.6
131.93507	0.3
134.03738	5.5
135.04517	100.0
136.04860	2.7
170.84814	0.3
179.03493	17.8
180.03879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
63.24413	0.2
66.33094	0.2
66.63716	0.2
69.77086	1.0
69.77492	0.3
71.01364	1.1
75.00861	0.5
79.05526	0.2
87.00877	0.8
89.02455	0.5
91.05522	0.6
92.33296	0.2
98.19923	0.3
99.00867	0.4
105.10127	0.2
107.05005	1.8
108.02224	0.2
117.01948	0.3
117.03479	0.5
134.03734	6.3
135.04510	100.0
136.04828	3.3
146.03777	0.3
161.04567	0.5
179.03476	21.2
179.05511	1.1
180.03828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31746	1.0
55.01883	5.4
56.98231	1.1
57.03430	3.7
58.00579	2.3
59.01371	73.6
60.01699	1.1
63.54144	1.0
64.06885	1.2
69.03438	2.4
70.65099	1.4
70.65434	2.2
71.01375	87.5
72.01717	1.6
72.99288	2.9
73.02943	19.0
83.01377	7.8
85.02944	18.1
87.00877	3.5
89.02431	71.0
90.02766	1.2
97.02943	4.7
101.02432	87.6
102.02770	1.4
103.03993	2.4
113.02467	9.2
115.03992	3.1
119.03498	11.7
123.04459	1.1
128.51286	1.1
131.03487	6.4
135.04507	1.8
143.03404	1.7
149.04526	3.4
162.75430	1.2
163.06097	19.3
181.07153	100.0
182.07498	3.2
188.32770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.2
57.03436	4.3
58.00581	2.6
59.01375	83.1
59.36442	1.0
63.27536	1.0
65.29914	1.0
69.03424	2.4
69.74852	3.3
69.75262	2.4
71.01376	95.6
72.01746	1.6
72.99288	2.5
73.02937	19.5
78.98555	1.8
83.01386	9.0
85.02943	17.6
87.00871	3.8
89.02439	67.1
90.02755	1.0
97.02956	3.5
101.02438	83.6
102.02760	1.8
113.02445	8.6
115.03988	3.6
119.03487	16.6
127.04062	0.9
131.03519	7.6
135.29491	1.1
149.04552	3.4
149.70628	1.1
161.04507	1.9
163.06105	19.6
179.05640	1.8
181.07164	100.0
182.07494	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	181.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.1
57.03435	4.0
58.00589	3.2
58.48643	1.1
59.01373	80.1
64.71090	1.4
67.72751	1.0
69.03447	1.7
69.74508	7.0
71.01375	100.0
72.99279	2.3
73.02937	17.6
83.01369	10.4
85.02943	20.8
87.00839	1.3
89.02436	68.9
90.02760	1.8
91.03999	1.7
95.01357	1.9
97.02933	5.0
101.02435	86.9
103.03998	1.6
113.02463	8.4
115.03992	2.9
119.03491	16.1
121.05022	1.2
131.03497	5.1
134.84636	1.2
143.03415	1.3
149.04565	3.1
161.04626	1.4
163.06091	17.2
166.02692	1.3
181.07150	87.3
182.07542	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
57.03441	2.5
58.00576	2.7
58.98282	0.7
59.01370	64.1
64.96947	0.7
69.03457	2.3
70.71690	0.9
70.72026	1.7
71.01370	77.0
72.99299	2.8
73.02936	16.0
75.00873	1.4
77.42953	0.8
81.08784	0.8
83.01382	7.3
83.84856	0.7
85.02936	19.2
87.00864	3.2
89.02431	69.8
90.02757	0.8
95.01369	0.9
97.02925	3.2
101.02427	80.0
102.02777	0.9
103.04015	2.0
108.83404	0.7
113.02432	8.8
115.03995	2.9
119.03491	13.7
131.03491	6.4
139.43152	0.7
143.03461	1.4
149.04518	3.9
161.04530	2.1
163.06099	20.7
181.07155	100.0
182.07536	3.2
195.81520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1023
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
52.14096	2.6
57.03440	34.3
64.57265	2.8
69.03446	100.0
69.84852	15.5
69.85245	6.3
71.05019	34.5
78.80039	3.0
83.05022	5.2
85.06575	4.9
98.20601	5.9
111.08149	26.3
113.06042	9.5
123.08163	9.2
139.11270	52.0
183.10210	62.6
200.43428	2.9
200.81389	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	185.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89885	0.2
57.03449	0.5
59.01380	0.9
61.98816	0.4
65.03938	0.5
68.99800	0.3
69.03460	0.8
71.01389	0.2
71.05020	0.5
71.61443	0.3
79.01936	0.2
79.05534	1.5
80.02677	3.6
81.03474	0.7
83.05049	0.5
85.02985	0.4
91.05038	0.2
91.05513	1.3
93.03450	4.1
95.01363	0.4
95.05064	0.3
96.63711	0.2
97.02961	0.4
97.06576	1.4
99.04532	0.3
105.07089	0.7
106.04259	0.5
107.05026	2.5
111.04471	0.4
115.05529	0.5
117.07112	0.6
121.02967	0.6
122.88701	0.2
123.08157	0.9
125.02452	0.9
128.06340	0.3
129.07101	2.1
130.04257	2.0
131.05057	0.4
131.08676	0.3
139.11292	0.3
139.87286	0.5
140.89639	0.6
141.07074	0.8
141.09200	1.8
142.07852	1.6
143.05003	1.5
143.08644	6.8
144.05814	1.3
144.08948	0.3
145.06590	1.4
155.08630	2.6
156.05745	0.3
157.06578	1.8
157.08928	0.3
157.10196	5.1
158.10568	0.3
159.08206	0.5
167.08633	1.4
168.05760	0.4
169.06566	5.3
170.07352	35.8
171.07703	1.3
183.08118	5.6
184.08801	0.8
185.09692	100.0
185.11624	4.6
186.10033	4.9
186.11568	0.3
202.06311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.118
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57411	0.3
69.03445	4.9
71.05024	0.5
80.64894	0.3
84.23732	0.4
98.20647	0.6
113.77483	0.3
122.41521	0.3
125.02402	1.0
139.11272	8.8
141.09186	0.4
141.12752	0.4
169.01123	0.3
185.04550	0.8
185.11798	100.0
186.12125	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	185.1179
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
54.27364	0.2
54.61607	0.2
69.03445	4.2
69.44771	1.1
69.45177	0.4
71.05015	0.4
76.41853	0.2
91.28051	0.2
104.80756	0.2
117.87547	0.2
123.08131	0.3
129.04610	0.2
137.09677	0.3
139.11269	8.2
140.11578	0.4
150.57477	0.2
155.39203	0.2
185.11794	100.0
186.12134	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	185.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19268	0.2
57.03437	0.4
59.01382	0.2
62.83504	0.2
69.03098	0.3
69.03451	4.1
71.05013	0.7
71.61642	0.3
92.99773	0.3
99.47516	0.2
123.08130	0.4
125.02435	2.4
128.87276	0.2
137.09691	0.4
139.11276	8.0
141.09181	0.5
141.12842	0.2
146.46994	0.2
165.65530	0.2
178.84544	0.2
185.04567	1.4
185.11800	100.0
186.12148	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	185.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66148	0.3
69.03458	4.8
70.80360	0.3
71.05002	0.4
71.62355	0.3
83.05031	0.4
94.05766	0.3
97.02943	0.3
125.02441	2.0
137.09769	0.3
139.11279	8.2
141.09219	0.6
176.21349	0.3
185.04564	1.5
185.11807	100.0
186.12135	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	185.1181
Annotation	Epomediol
Peak:m/z	Relative Intensity
52.82377	0.8
54.21465	1.0
57.03455	1.7
59.01372	42.0
60.35919	0.7
65.00308	1.5
68.99776	0.9
69.03448	7.3
71.01391	4.5
71.05019	8.9
71.61365	1.5
85.02937	1.5
87.70434	0.9
92.66264	0.8
92.99805	3.4
95.05009	12.3
96.99314	2.0
97.02963	1.1
97.06559	5.2
111.07371	1.1
111.08146	23.1
115.03999	100.0
116.04313	2.4
123.08169	4.1
124.98790	1.7
125.02432	12.2
125.99579	1.3
139.11331	1.5
141.05511	2.0
141.07018	1.9
141.09154	5.1
141.12814	1.1
164.10022	0.9
167.10753	18.5
177.05588	0.8
183.10295	2.9
185.04526	7.7
185.06113	2.1
185.08382	6.6
185.11810	97.2
186.12141	4.0
188.24525	0.8
197.80385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03439	1.4
58.02941	0.9
59.01380	3.8
59.32821	0.5
64.23383	0.5
67.01887	0.9
68.99789	0.7
69.03429	1.1
70.02975	0.7
71.01363	1.9
71.05016	2.0
71.60465	0.8
72.00893	5.7
72.04538	0.8
72.99303	4.4
73.02911	0.8
74.02449	0.8
74.54146	0.5
75.66711	0.5
78.95901	0.8
81.03448	6.3
82.02991	1.8
83.01376	3.3
83.05020	0.7
84.01528	0.6
85.02948	2.8
87.00880	0.9
87.92542	0.9
88.04029	1.8
88.98845	0.7
96.04528	0.7
96.89420	0.5
96.96964	1.0
97.02970	0.7
97.06600	3.0
98.02463	26.3
99.00868	5.1
99.04507	38.4
100.04038	8.8
100.07738	1.1
101.07140	0.7
102.05602	3.5
108.66876	0.5
110.00083	1.2
111.00898	1.0
113.02440	7.9
114.05589	5.2
115.04000	8.1
116.03524	47.6
116.07167	2.3
118.42363	0.6
119.72976	0.6
124.04028	0.6
125.02431	100.0
125.09694	4.0
126.01969	0.6
126.02773	2.8
126.05560	1.5
127.00355	1.1
128.03522	2.1
139.00365	0.7
141.03055	1.2
142.05060	5.2
142.08727	1.1
143.03474	10.2
143.04617	10.3
143.07103	2.9
143.09070	1.3
144.03004	50.0
144.06619	4.3
144.10297	1.8
157.01463	2.8
168.88905	2.2
169.01402	2.0
169.02643	0.7
169.05029	1.9
170.04564	0.6
187.02440	18.8
187.03661	12.2
187.06020	4.1
187.07909	1.5
187.09709	1.9
187.11023	1.3
188.05577	4.2
188.09273	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	187.0973
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03178	0.6
57.03444	7.2
59.01366	3.6
65.10160	0.5
69.03445	3.0
71.05014	1.9
76.24094	0.4
80.58400	0.4
81.07091	2.4
83.05011	1.2
85.02931	0.6
87.04506	6.1
90.31308	0.5
95.05001	0.6
96.94047	0.5
97.06575	11.7
98.33567	0.4
99.04509	0.8
99.08153	1.3
101.06073	1.7
101.84299	0.4
105.98643	0.4
109.06586	0.7
109.98042	0.4
115.07653	1.7
121.17133	0.4
123.08146	4.3
125.09705	100.0
126.10060	4.0
127.07587	0.6
141.09172	0.5
143.10779	2.0
145.08664	3.3
146.06099	1.6
153.09210	0.5
159.04512	0.6
168.56079	0.4
169.08633	2.2
185.11784	3.2
187.09729	52.2
187.13300	7.3
188.07156	1.1
188.10077	1.9
209.87503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.3
59.01375	3.4
59.99416	0.5
60.39454	0.6
61.98821	3.0
65.03958	0.8
69.03450	4.4
71.01377	0.6
71.05016	2.8
71.61024	0.7
73.02947	0.7
79.05527	10.7
80.02661	1.7
81.03445	17.8
81.07083	2.8
82.03790	0.8
83.05009	1.5
85.02946	0.8
87.04510	8.5
88.89326	0.5
90.97110	1.6
91.05529	1.6
93.03448	2.1
93.07110	1.0
95.05016	4.0
97.06591	2.7
99.04497	1.9
101.06062	2.8
105.01920	1.1
105.07097	6.0
106.04234	12.4
107.05021	14.2
109.06591	0.7
111.08113	0.8
115.07622	2.1
119.05010	2.0
120.05779	2.3
123.08175	0.9
125.06025	0.6
125.09708	12.9
126.09911	0.5
129.07104	2.3
130.04208	0.6
131.05019	3.1
131.08653	0.8
132.05818	4.7
132.98241	0.6
133.06610	0.7
138.03186	1.0
141.12877	1.5
141.86794	10.7
143.05003	1.0
143.07039	0.6
143.08636	3.2
143.10786	0.7
144.04549	0.6
145.06512	0.7
145.10217	6.5
145.17918	0.5
151.11240	0.5
152.04773	1.1
153.09143	0.8
157.06575	4.6
157.10207	1.3
158.07224	1.1
159.04498	2.0
159.08096	1.5
159.11777	18.8
159.87825	2.6
160.12155	0.6
169.10158	3.3
170.07388	1.0
171.08179	3.5
172.08917	6.9
185.09740	4.5
185.11728	4.3
186.95563	0.9
187.03941	2.4
187.07690	2.3
187.09752	8.2
187.11252	100.0
187.13281	10.6
188.03465	0.8
188.11607	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	187.1337
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
56.14440	0.4
57.03442	20.1
59.01363	1.3
69.03448	2.2
70.06556	2.0
71.05012	10.2
73.02931	1.4
80.02678	0.7
81.07082	2.3
83.05024	1.6
84.02151	4.6
87.04507	4.0
97.06553	1.1
98.19949	0.7
99.04527	0.7
101.06068	1.4
109.06581	0.4
113.09719	3.5
115.07637	0.8
125.09703	3.4
139.11252	0.5
141.12837	95.8
141.86787	1.0
142.13170	4.0
143.14369	1.8
151.11259	10.4
153.09288	0.5
159.04387	0.6
166.84492	0.4
167.10776	1.0
169.12312	36.0
170.12621	1.5
185.11801	11.7
187.04013	0.9
187.09901	3.3
187.13368	100.0
188.13725	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	187.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41380	1.9
57.03442	61.2
58.88269	2.1
63.95325	2.3
69.03445	45.1
71.05015	28.6
71.05782	4.5
81.07088	50.8
83.05015	11.8
85.02926	2.5
85.26974	2.1
87.04501	100.0
88.49175	1.9
97.06586	9.2
99.04498	18.7
101.06069	32.6
109.06575	7.5
109.61712	1.9
111.08138	5.2
115.07638	21.6
123.08144	2.3
127.07633	4.6
135.08105	2.5
141.09254	4.8
153.09224	9.9
169.12241	2.1
171.10237	3.1
185.11818	44.6
187.13370	92.9
188.13731	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	188.035
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
63.84120	0.1
69.41767	0.1
70.16986	0.3
70.17374	0.4
87.00838	0.2
88.80264	0.2
93.55547	0.1
94.61829	0.2
98.19945	0.2
102.03487	0.6
116.05051	0.3
127.07668	0.2
144.04530	100.0
145.04880	3.6
159.03249	0.8
166.86058	0.2
188.03503	4.1
189.03954	0.3
189.07637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.056
Annotation	N-Acetyl-L-glutamic acid
Peak:m/z	Relative Intensity
58.02969	11.3
59.01370	45.4
60.19364	0.6
68.99816	0.9
71.01385	1.6
71.05028	0.9
71.59968	0.8
72.00903	1.4
72.04532	1.3
72.99311	0.6
73.02920	1.4
74.02458	2.1
82.02979	1.8
83.01376	2.1
83.05027	2.5
84.04527	1.9
85.02931	2.0
86.06080	1.7
87.00874	1.9
88.04025	0.6
89.60887	0.5
93.12244	0.6
96.04545	1.5
96.99310	0.8
97.02925	0.8
98.02458	14.4
98.06096	2.5
99.00878	6.1
100.04033	3.5
100.04638	0.6
100.07668	22.4
101.02412	0.6
101.06095	0.6
101.08003	0.8
102.05592	100.0
103.05962	1.3
104.03536	0.7
109.02928	2.0
112.04001	0.8
113.99576	0.8
114.05583	13.2
116.03445	0.6
116.07141	1.8
124.04034	1.2
126.02759	1.2
126.05589	10.2
127.03999	2.5
128.03522	97.4
129.01930	16.7
129.03880	1.5
129.05542	1.3
142.05084	14.7
142.08766	0.7
144.06642	36.7
146.04568	9.8
147.06540	2.8
158.25816	0.6
170.04559	23.3
171.02960	2.4
174.01649	3.2
188.05605	43.0
189.04050	5.2
189.05688	1.1
189.07613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0765
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03428	1.0
59.01370	3.2
60.74658	0.5
60.76892	0.5
69.79956	2.8
71.05005	3.9
89.93299	0.5
99.08146	31.3
100.08453	0.9
101.06083	0.9
102.21140	0.5
127.07637	32.8
128.07965	0.9
129.05560	100.0
130.05875	3.6
145.08687	5.6
171.06625	6.2
189.07660	54.2
190.07991	2.1
198.01758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88234	0.3
52.59849	0.3
57.03436	5.0
59.01373	1.9
61.93019	0.4
63.69791	0.4
67.01889	3.0
67.60601	0.3
71.01373	0.9
71.26836	0.8
72.99321	0.4
73.02929	0.6
85.02940	35.1
86.03247	0.5
87.00865	45.1
88.01193	0.6
93.03452	3.3
99.04513	0.4
101.02456	0.5
101.92447	0.4
104.33286	0.3
109.02939	1.1
111.00867	100.0
111.04480	1.3
112.01195	2.4
126.09505	0.3
127.04002	2.0
129.01938	5.6
130.99860	0.6
147.02983	0.6
152.47293	0.3
154.99825	0.7
171.03072	0.5
173.00868	2.7
173.04504	1.1
191.01967	14.6
191.05579	58.7
192.05904	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	191.0348
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03435	0.4
59.01371	5.8
69.03452	0.3
69.34308	2.5
71.01373	0.7
73.02936	0.5
74.81489	0.2
85.02944	4.8
87.00861	2.4
93.03439	1.1
98.19873	0.4
106.20615	0.3
111.00861	4.3
119.05014	1.2
121.02939	100.0
122.03268	1.8
127.03989	0.5
129.01959	0.4
131.03523	0.4
147.04500	6.6
148.01624	0.5
157.39725	0.3
163.03987	0.9
176.01117	2.2
177.01869	0.4
191.01950	0.6
191.03490	9.4
191.05588	14.4
191.10680	0.4
192.03896	0.2
206.30566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96444	0.1
57.03437	0.4
59.01372	3.3
60.99287	0.2
67.01870	0.7
69.03441	0.7
71.01373	1.8
71.45094	0.3
72.99259	0.2
73.02948	0.8
81.03443	0.8
83.05015	0.8
85.02940	20.1
87.00865	4.0
93.03445	6.5
98.60828	0.2
99.00846	0.3
99.04519	0.8
109.02944	1.6
111.00871	0.7
111.04498	2.1
113.02437	0.5
113.68270	0.2
127.03996	4.4
137.02486	0.4
143.03487	0.2
155.03432	0.4
171.02979	1.1
173.04520	1.9
189.04164	0.2
191.05583	100.0
192.05933	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	191.0559
Annotation	Quinic acid
Peak:m/z	Relative Intensity
56.12650	0.3
56.57504	0.2
59.01364	2.1
67.01870	0.5
70.64205	0.7
71.01373	1.5
73.02941	0.5
81.03441	0.7
83.05009	0.7
84.61993	0.3
85.02940	13.7
87.00857	3.0
93.03448	3.7
99.04520	0.6
108.08962	0.3
109.02939	1.2
111.00878	1.2
111.04499	1.0
113.02412	0.4
127.04007	2.8
129.01924	0.3
140.06580	0.3
155.03529	0.4
156.70825	0.2
164.56590	0.3
171.02957	0.7
173.04514	1.4
175.15906	0.3
190.65964	0.3
191.05580	100.0
192.05952	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58692	0.3
57.03424	0.4
59.01372	2.4
67.01860	0.5
69.03465	0.6
69.58960	1.5
71.01373	1.7
73.02940	0.7
78.26543	0.2
81.03440	0.8
83.05013	0.7
85.02943	17.4
87.00875	3.6
93.03445	5.6
99.04504	0.7
109.02965	1.2
111.00883	0.5
111.04507	1.5
127.03989	3.8
155.03412	0.4
171.03009	0.8
173.04518	1.9
191.05595	100.0
192.05934	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	191.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
59.01374	2.0
59.98480	0.2
61.75354	0.2
67.01863	1.2
69.03432	0.3
70.60728	0.4
70.61116	0.5
71.01364	1.0
73.02946	0.5
79.31747	0.2
81.03473	0.3
83.01379	0.2
83.04995	0.3
85.02942	21.8
86.03283	0.3
87.00866	14.1
88.01215	0.2
93.03448	4.5
98.19888	0.2
99.04503	0.4
109.02914	1.2
111.00869	31.3
111.04491	1.7
112.01196	0.5
127.03986	3.1
129.01918	1.9
137.02414	0.3
147.02960	0.3
151.45630	0.3
155.03398	0.4
171.02989	0.9
173.00876	0.7
173.04497	1.4
191.01953	4.8
191.05589	100.0
192.05957	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	191.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
59.01367	2.7
65.96306	0.3
67.01869	1.7
69.03446	0.5
70.72478	1.0
71.01375	1.5
73.02932	1.2
78.53180	0.3
81.03432	0.7
81.44344	0.3
83.05006	0.5
85.02940	29.7
86.03265	0.6
87.00864	19.6
88.01225	0.3
90.92639	0.3
93.03445	6.3
95.01421	0.3
99.00887	0.3
99.04514	1.1
101.02389	0.5
108.99382	0.3
109.02959	1.6
111.00866	37.6
111.04487	2.2
112.01199	0.7
115.83136	0.3
127.04007	4.1
129.01926	1.9
171.02968	1.4
173.00931	0.6
173.04527	1.9
191.02029	5.0
191.05580	100.0
192.05894	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	191.0558
Annotation	Quinic acid
Peak:m/z	Relative Intensity
54.09703	0.1
57.03434	0.6
59.01369	3.3
67.01891	0.8
69.03442	0.6
70.88207	0.3
70.88544	0.3
71.01372	1.9
73.02955	0.9
75.37398	0.2
81.03439	0.9
83.05025	0.9
85.02942	22.8
87.00867	4.6
93.03446	7.1
95.01366	0.3
96.02184	0.2
97.02945	0.2
99.04511	1.1
101.02416	0.2
109.02940	1.8
111.00866	0.5
111.04510	2.4
113.02424	0.3
114.14957	0.2
115.81822	0.2
122.88415	0.2
125.02400	0.2
127.03999	5.1
131.09332	0.2
137.02428	0.4
143.03481	0.3
144.16464	0.2
155.03467	0.4
171.02956	1.4
173.04515	2.1
176.83162	0.2
191.05586	100.0
192.05933	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	193.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51088	0.2
54.85269	0.2
59.01370	0.6
69.45830	1.6
71.01382	0.3
73.02962	0.3
85.02948	0.7
87.00864	0.4
89.03954	3.4
93.03450	0.4
99.00894	0.4
101.02441	0.5
101.57225	0.2
105.76352	0.2
106.04239	1.2
109.02984	0.3
111.00883	0.4
117.03457	7.7
118.03796	0.4
121.02912	1.3
125.02442	0.3
133.02937	2.1
134.03723	100.0
135.04050	3.3
137.02426	6.9
139.03986	2.0
149.02406	0.2
149.06059	11.0
150.03181	1.0
150.06425	0.3
161.04556	0.6
164.57883	0.2
165.01917	0.2
178.02690	24.7
179.02966	0.9
193.05017	20.9
194.05342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
52.31789	0.2
54.36251	0.2
59.01366	0.2
59.36716	0.2
61.10387	0.2
62.62112	0.1
70.22803	0.7
71.01390	0.3
73.02950	0.2
85.02969	0.5
89.03961	5.4
89.04498	0.4
91.22884	0.2
93.03459	0.4
101.02444	0.3
106.04256	0.6
108.02177	0.2
117.03455	11.2
118.03792	0.2
119.05029	0.3
121.02940	0.3
131.03464	0.3
133.02910	0.2
134.03729	100.0
135.04065	3.7
137.02461	0.5
149.02383	0.2
149.06064	4.2
150.03326	0.2
150.06403	0.3
151.03978	0.4
161.04579	0.3
165.05606	0.3
178.02722	1.6
179.03426	0.7
193.05029	12.6
193.21794	0.2
194.05399	0.5
204.42590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76731	0.6
59.01371	4.7
69.23543	1.4
69.23956	4.3
71.01366	3.8
72.14046	0.6
72.84158	0.6
73.02936	2.8
77.42246	0.7
83.01406	1.1
85.02942	3.8
87.00859	2.0
89.03979	1.4
93.03465	1.1
95.79338	0.6
97.02943	1.5
98.20629	1.2
99.00856	1.2
101.02434	3.7
106.04225	1.4
108.02187	1.1
109.02922	0.7
109.81630	0.7
111.00871	1.1
113.02382	0.8
117.03442	1.4
121.02935	5.0
121.06540	0.6
123.00874	0.7
123.04491	1.2
133.02954	5.8
134.03728	100.0
135.04051	4.2
137.02428	15.7
139.04008	5.4
141.01929	1.0
149.02467	1.6
149.04866	1.2
149.06065	23.6
150.03191	2.4
150.06421	0.8
151.12408	0.7
161.04526	4.4
165.09296	0.5
178.02693	66.7
179.02986	2.8
193.05034	35.7
193.07066	3.7
194.05367	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	193.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
68.15070	0.4
69.03452	0.5
71.01372	2.4
71.62885	0.5
73.02953	2.1
83.01389	0.8
85.02937	3.1
87.00872	1.7
93.03448	0.9
95.01363	0.6
97.02941	1.1
99.00873	1.3
101.02444	3.2
105.03466	0.4
108.02128	0.7
111.00881	1.1
113.02440	0.4
117.03464	0.6
121.02956	3.3
123.04477	1.0
125.02421	0.9
133.02940	17.0
134.03735	27.0
135.04050	1.0
136.01642	0.5
137.02428	14.0
138.02771	0.5
139.04010	4.9
141.01895	0.9
149.02406	1.6
149.06059	3.4
150.03227	2.0
155.03491	0.6
161.02437	25.8
161.04448	4.6
161.67981	0.5
162.02740	1.1
165.01859	0.5
178.02696	16.5
180.70198	0.4
193.05031	100.0
194.05377	4.0
199.62404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94382	0.5
53.17337	0.5
59.01371	100.0
60.01696	0.6
61.98821	3.1
67.35278	0.5
70.63176	0.5
70.71292	1.5
71.01382	1.5
73.02953	1.6
81.03452	0.9
85.02939	3.4
89.02480	0.5
92.88290	0.5
93.03471	0.6
96.95998	10.7
96.96565	0.6
101.02435	0.8
103.03998	0.7
121.02940	3.4
122.03742	1.3
123.04507	1.2
125.02436	0.6
133.05057	0.6
134.95238	1.1
135.06613	16.3
136.05278	0.6
136.94029	1.2
137.02434	1.3
139.04121	0.6
150.03212	4.4
151.04047	0.9
152.91739	24.2
152.94463	1.4
153.92322	0.6
156.90402	1.0
160.84187	21.2
165.01906	1.0
165.05524	4.2
167.90457	6.2
180.04279	8.6
194.92784	13.0
194.95512	2.8
195.02835	0.8
195.06667	4.9
195.10292	0.6
195.81073	7.9
195.93246	0.9
212.93947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0296
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
54.70432	0.5
59.01373	39.0
67.01881	1.0
68.99800	0.9
69.40849	2.0
69.41280	2.1
71.01374	1.3
73.02944	0.8
75.00860	1.5
80.77988	0.4
83.01374	1.8
85.02953	1.0
86.63625	0.5
90.79457	0.6
93.03448	1.7
95.01379	2.6
98.19896	1.1
99.00874	1.0
101.02407	1.0
103.42105	0.5
107.01366	3.5
107.04362	0.8
107.05025	8.9
107.09624	0.5
108.02156	5.7
108.05369	0.5
111.00866	10.6
121.02967	2.8
122.03725	1.0
123.00871	24.2
123.04494	1.1
124.01653	23.4
128.78920	0.5
134.03717	0.6
135.00870	1.7
135.04488	0.8
135.06627	5.7
136.01648	0.9
136.04205	0.7
136.98830	0.7
137.02412	2.1
139.00307	2.5
149.02452	0.6
150.03223	4.1
151.03999	6.5
151.07686	0.6
152.01151	4.9
152.04158	0.5
153.05508	1.9
165.05563	3.8
167.03491	5.9
180.04239	3.8
195.02959	100.0
195.06564	3.9
196.03342	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	195.0659
Annotation	2',6'-Dimethoxy-4'-hydroxyacetophenone
Peak:m/z	Relative Intensity
58.00581	0.9
59.01372	26.3
63.49677	0.4
65.00315	1.3
65.03954	8.6
67.01881	4.1
68.99816	16.3
69.03445	1.7
71.01362	0.7
73.02946	0.5
78.01106	1.5
79.05555	0.4
80.02723	0.6
81.03463	0.9
83.01354	0.6
85.02939	0.9
91.05521	35.1
92.05858	1.0
92.18147	0.4
93.03447	65.1
93.07098	0.5
94.03779	1.8
94.04256	1.1
95.01363	0.7
95.05011	2.4
96.83408	0.4
97.02945	3.7
97.06570	1.3
98.19842	1.1
99.00867	26.7
99.04515	0.9
101.02434	2.1
107.05016	1.7
108.02139	0.7
110.03716	1.4
112.98534	0.6
117.03529	0.5
119.05013	84.9
120.05339	2.9
121.02945	12.7
121.06590	1.9
123.04534	3.4
123.08145	1.7
124.01673	0.9
125.02372	0.6
125.06067	24.2
126.06433	0.5
127.03990	0.5
129.05574	0.8
134.03754	0.6
135.04517	7.2
135.05545	0.6
135.05737	0.5
135.06596	4.1
136.05302	6.4
137.05919	0.5
149.05998	0.5
150.03188	0.8
151.07626	47.3
152.07974	1.7
152.65804	0.5
152.91721	2.2
153.05553	100.0
154.05920	2.9
160.84195	8.8
163.03984	12.5
164.04358	0.4
165.05476	0.9
167.07214	0.6
167.90457	0.7
180.04225	1.3
194.92705	0.9
195.06593	48.3
195.81058	3.4
196.06937	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0659
Annotation	1135-23-5
Peak:m/z	Relative Intensity
59.01373	100.0
60.01720	0.9
69.29572	2.3
70.64404	0.3
75.90504	0.3
91.30792	0.3
107.05091	0.3
114.39198	0.3
115.87559	0.3
135.04509	0.6
135.06635	1.6
141.69138	0.3
150.03229	0.5
150.35663	0.3
161.85086	0.3
171.26305	0.3
180.04230	0.7
195.06725	0.9
197.64528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1023
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
57.03432	0.8
59.01372	100.0
60.01715	0.6
70.57772	0.7
70.58131	0.7
81.03452	1.2
95.05034	1.2
97.06588	3.1
103.04028	0.4
109.06573	1.2
135.06616	1.2
140.22495	0.3
146.96857	0.4
151.11266	2.2
153.03096	0.6
158.09427	0.4
165.05504	0.4
195.10231	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	197.0452
Annotation	Salvianic acid A
Peak:m/z	Relative Intensity
54.18086	0.3
55.54215	0.3
69.87300	1.4
72.99301	11.0
75.00868	5.5
83.39010	0.3
93.03440	1.3
107.05008	0.8
109.02945	0.6
120.72752	0.4
121.02941	100.0
122.03268	2.9
123.00818	0.4
123.04500	2.4
134.03720	1.3
135.04512	5.6
136.04839	0.4
151.04001	2.2
178.99905	0.4
179.03462	1.7
182.02254	0.5
197.04518	30.6
198.04926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0453
Annotation	Salvianic acid A
Peak:m/z	Relative Intensity
70.72035	0.5
70.72375	0.5
72.99304	11.4
75.00864	6.3
78.95912	0.7
93.03441	1.6
96.95992	1.1
98.95593	0.7
106.29767	0.4
107.05014	0.6
112.24822	0.4
119.50896	0.3
121.02946	100.0
121.39954	0.3
122.03286	2.6
123.00786	0.5
123.04505	2.6
134.03725	1.1
135.04517	5.3
151.03995	1.9
179.03439	1.6
179.76794	0.4
184.23228	0.4
197.04526	29.6
198.04871	1.0
198.26387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12355	0.2
59.01375	0.3
66.28133	0.2
67.45404	0.2
69.49493	1.2
69.49921	0.5
78.18980	0.2
78.94761	0.2
121.02983	0.2
123.00886	0.3
125.09721	0.7
135.08144	0.8
153.09192	100.0
154.09526	3.3
154.10696	0.3
169.08681	0.8
179.07098	0.3
182.02182	0.4
197.08163	24.0
198.08551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0816
Annotation	7-Deoxyloganetate
Peak:m/z	Relative Intensity
59.01378	0.4
61.01798	0.3
67.01895	0.2
69.53206	0.6
69.53638	0.9
71.01379	0.4
79.06927	0.2
105.39322	0.2
121.02923	0.4
123.00880	0.8
125.09705	1.0
135.08162	0.8
137.02440	0.2
153.09201	100.0
154.09537	3.3
166.99854	0.5
169.08659	0.7
179.07181	0.3
182.02171	0.9
197.04474	0.6
197.08170	22.6
197.11838	0.7
198.08502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99102	0.6
57.29786	0.5
59.01375	6.5
62.05310	0.5
62.90062	0.5
67.01883	0.7
67.24096	0.5
67.28674	0.5
69.03421	0.5
71.01381	1.1
74.35194	0.5
93.03468	0.8
95.01352	0.8
96.65530	0.5
104.03867	0.6
110.55231	0.5
121.02956	1.9
121.06567	2.4
123.00816	0.8
123.04525	1.0
125.09715	1.0
126.90487	0.7
132.52696	0.7
135.08180	0.8
149.42711	0.5
153.01910	0.7
153.09195	100.0
154.09543	3.7
166.99857	1.0
174.69936	0.6
179.07207	0.6
182.02060	3.1
182.05873	0.6
197.04504	1.7
197.08165	25.5
197.11871	1.7
198.08592	0.5
210.57973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0816
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
54.52866	0.3
55.70078	0.2
57.03427	0.5
62.74103	0.3
65.96080	0.3
69.31141	1.2
69.31570	1.2
71.01348	0.7
71.04988	0.6
74.70030	0.2
76.67471	0.2
81.03364	0.2
111.62355	0.3
123.00897	0.7
125.09707	0.3
137.09676	1.6
153.09186	100.0
153.12596	2.1
154.09540	3.8
166.99878	0.4
179.10793	0.6
182.02185	1.0
197.04576	0.6
197.08159	26.3
197.11800	2.7
198.08490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.118
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.50827	0.5
55.01860	0.6
57.68932	0.5
59.01366	1.1
61.49103	0.4
64.41585	0.4
71.01373	1.0
71.05016	0.9
76.88472	0.5
83.05032	0.5
90.02155	0.5
97.06579	12.9
99.08140	4.2
109.06566	0.5
110.96365	0.4
111.08188	0.8
111.90514	0.5
112.98573	0.5
121.02976	0.6
122.03725	1.5
123.00843	1.6
123.04433	0.7
125.09724	0.8
126.03218	0.8
126.90515	0.6
137.09688	1.3
151.11307	0.8
153.05533	0.8
153.09218	2.0
153.12831	100.0
154.13142	4.3
160.24553	0.5
160.84183	1.0
162.83900	3.6
166.99815	1.2
179.10753	24.0
180.11118	1.1
182.02191	3.5
193.23087	0.4
197.02010	1.1
197.04617	1.1
197.08171	1.1
197.11800	10.8
197.15475	1.5
197.80774	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01376	5.2
60.99289	0.7
69.51617	2.0
69.52026	0.7
71.01358	1.0
71.05010	0.6
81.03440	0.7
83.04992	0.8
87.00809	0.4
95.01434	0.5
95.05028	0.4
97.06592	2.0
98.19849	0.7
109.06607	0.4
109.57147	0.4
121.02925	0.9
123.00877	1.1
123.04507	0.5
125.93459	0.4
126.90457	0.5
135.08141	0.5
135.11763	0.9
138.03221	0.7
151.11299	2.2
153.05522	0.4
153.09184	3.6
153.12862	2.6
166.99809	0.8
179.10757	8.4
182.02190	1.3
195.10220	2.2
197.11800	100.0
198.12187	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	198.1496
Annotation	Kinabalurine G
Peak:m/z	Relative Intensity
59.01373	1.4
61.98822	9.3
66.03472	1.1
67.01880	0.9
67.30289	0.6
68.99562	2.4
71.01371	0.9
71.04995	1.1
82.06612	6.3
83.01363	0.8
83.05013	2.3
85.02934	1.3
92.96877	0.6
99.00858	1.3
99.04525	0.9
100.07655	1.9
101.06037	1.0
103.97650	4.8
111.00848	1.8
111.04539	0.7
112.98570	1.9
113.02438	2.2
127.00336	1.4
127.04008	1.2
128.10852	1.0
137.09630	0.9
138.00967	0.7
154.13165	2.5
154.99838	1.0
155.10748	2.3
160.84189	14.1
162.83884	40.7
164.83649	0.7
167.99254	0.8
170.15479	24.4
171.15820	1.3
197.80774	23.6
197.90260	0.9
198.04025	1.2
198.14955	100.0
198.80746	0.7
199.06064	1.3
199.07954	0.7
199.09718	1.6
199.13347	4.1
199.15292	4.9
199.17017	1.7
199.80371	1.0
201.18460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0609
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
55.01861	4.8
55.91504	1.1
57.03450	1.5
59.01372	88.0
60.01704	1.3
67.01871	3.3
69.03437	7.5
69.98576	4.6
71.05013	7.2
71.05341	1.1
83.05005	2.5
95.05009	10.3
109.06572	1.4
111.00861	3.6
111.04494	2.3
111.08144	100.0
112.08522	2.1
113.02426	2.0
122.03706	3.3
124.68153	1.1
137.06061	16.3
142.69139	1.2
155.07114	66.2
156.07390	1.5
181.05019	4.6
199.06091	17.4
199.09726	3.5
199.13406	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	199.0972
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.00645	0.6
57.03444	2.3
59.01369	3.8
67.08739	0.7
71.05004	0.7
71.61365	0.9
81.03452	2.0
83.05013	14.7
83.34615	0.7
85.02917	0.7
109.06569	1.4
113.02460	0.7
115.57477	0.7
135.08147	2.0
137.09697	27.8
138.09999	1.2
155.10756	100.0
156.11104	3.0
181.08690	12.6
189.75827	0.8
199.09720	75.2
200.10075	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	199.0973
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
51.66666	0.3
59.01372	0.3
70.01556	1.5
73.02935	2.7
87.17698	0.3
112.01597	0.3
135.08160	1.4
137.08884	0.2
137.09702	8.1
155.10757	100.0
156.11093	3.0
177.25636	0.3
181.08656	0.5
199.06094	0.5
199.09746	7.8
199.13503	0.3
200.10091	0.5
216.15361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07790	0.9
59.01380	7.7
69.03452	8.7
70.02975	2.1
71.01380	3.4
71.61021	1.1
71.95344	0.9
72.99316	4.3
82.99586	1.6
83.05011	3.9
84.04539	15.2
85.02945	1.0
85.06606	1.0
87.00867	2.3
87.92532	1.6
88.04047	1.4
90.11213	0.9
92.05033	1.3
94.02982	1.2
94.06610	1.6
95.01427	1.1
95.05018	10.1
97.02939	1.4
98.02472	14.8
99.04518	2.6
103.92034	2.0
108.04555	5.0
109.02946	1.0
110.02469	23.5
110.03225	1.3
110.06105	5.1
111.04524	5.3
112.01530	1.5
112.04038	9.6
112.04765	1.4
112.07680	6.8
113.06096	7.9
119.05030	1.4
120.05355	3.5
123.03258	2.4
124.04021	4.6
126.05594	4.0
127.03975	1.4
127.30312	0.9
128.07185	0.8
129.05553	2.2
136.04037	8.4
138.05600	14.3
139.04002	7.1
139.07587	1.8
140.06334	1.0
154.05086	22.8
155.03481	4.3
156.06633	25.5
156.10266	2.1
157.05034	6.3
157.08652	2.1
159.06563	0.9
162.62425	0.9
172.06129	3.2
173.04483	0.9
182.04567	29.4
183.41786	1.0
189.83792	0.9
200.05620	100.0
200.09221	10.1
201.04076	9.5
201.05873	2.3
201.07637	3.6
201.11226	1.4
206.44489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07790	0.9
59.01380	7.7
69.03452	8.7
70.02975	2.1
71.01380	3.4
71.61021	1.1
71.95344	0.9
72.99316	4.3
82.99586	1.6
83.05011	3.9
84.04539	15.2
85.02945	1.0
85.06606	1.0
87.00867	2.3
87.92532	1.6
88.04047	1.4
90.11213	0.9
92.05033	1.3
94.02982	1.2
94.06610	1.6
95.01427	1.1
95.05018	10.1
97.02939	1.4
98.02472	14.8
99.04518	2.6
103.92034	2.0
108.04555	5.0
109.02946	1.0
110.02469	23.5
110.03225	1.3
110.06105	5.1
111.04524	5.3
112.01530	1.5
112.04038	9.6
112.04765	1.4
112.07680	6.8
113.06096	7.9
119.05030	1.4
120.05355	3.5
123.03258	2.4
124.04021	4.6
126.05594	4.0
127.03975	1.4
127.30312	0.9
128.07185	0.8
129.05553	2.2
136.04037	8.4
138.05600	14.3
139.04002	7.1
139.07587	1.8
140.06334	1.0
154.05086	22.8
155.03481	4.3
156.06633	25.5
156.10266	2.1
157.05034	6.3
157.08652	2.1
159.06563	0.9
162.62425	0.9
172.06129	3.2
173.04483	0.9
182.04567	29.4
183.41786	1.0
189.83792	0.9
200.05620	100.0
200.09221	10.1
201.04076	9.5
201.05873	2.3
201.07637	3.6
201.11226	1.4
206.44489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.9
61.98819	1.0
67.15494	0.8
69.03435	1.6
70.02964	3.4
70.98760	1.2
71.01369	1.8
72.99299	4.4
75.00847	1.2
82.70260	0.8
83.05010	1.7
84.04550	5.9
88.04034	5.5
92.05073	1.3
94.02959	1.4
94.06609	1.6
95.05016	13.2
98.02468	16.3
98.06081	1.6
108.04537	3.0
110.02466	22.5
110.06094	4.7
111.04498	4.0
112.04034	9.8
112.07674	8.3
113.06081	7.4
123.03261	2.5
124.04018	4.0
126.05580	4.3
129.05569	2.0
136.04050	8.5
138.05612	14.9
139.03960	1.1
141.01845	1.0
154.05081	26.1
155.03523	5.7
155.85222	0.8
156.06636	25.0
156.10268	2.0
157.03688	1.0
157.05038	4.3
166.67197	1.0
172.06117	3.3
173.04497	2.0
182.04561	34.1
200.05618	100.0
200.09193	2.6
201.02483	2.0
201.04016	14.7
201.05869	2.5
201.12489	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	201.1129
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03442	14.7
59.01355	1.6
69.03434	1.2
69.52616	2.1
69.53046	1.7
71.05012	31.0
81.03455	0.9
83.05016	7.5
85.06573	4.2
97.06560	3.7
97.14909	0.5
99.08147	6.0
101.06103	0.6
109.06622	0.6
110.03675	0.5
111.08144	3.8
113.09712	8.7
123.08112	3.1
127.11243	0.5
137.09691	2.3
139.11253	3.9
141.09184	2.3
155.10759	12.8
156.11105	0.6
156.99562	0.5
157.12325	7.3
165.09227	0.6
183.10231	17.9
184.10594	0.9
188.81494	0.5
201.11288	100.0
202.11629	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	203.0195
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
55.01869	2.4
57.03448	8.1
58.02962	1.6
59.01371	26.1
60.99282	2.1
63.48426	1.0
65.98316	0.9
67.01894	2.2
68.16946	0.9
69.03444	65.4
70.02726	4.8
71.01371	54.4
71.05004	1.4
72.99300	11.0
73.02930	4.0
74.02448	2.7
75.00848	9.3
79.01885	12.3
81.03459	1.6
83.01367	3.4
83.05016	2.0
85.02951	13.0
85.06572	2.6
86.72218	1.1
87.00868	14.8
87.01365	1.7
87.04507	3.9
87.05607	1.2
88.04039	5.3
91.22868	0.9
95.01367	6.9
95.05020	2.8
96.65889	1.0
97.02937	88.3
97.06583	13.8
98.00060	1.3
98.03236	1.7
98.19942	1.4
99.00864	3.2
99.04494	2.9
100.03982	1.3
101.02441	2.1
103.92014	11.6
107.73820	1.1
109.06568	1.6
111.00864	3.9
113.02448	7.4
113.06062	3.1
114.01974	1.4
114.98565	2.1
115.00352	8.8
115.03986	2.5
115.07638	5.5
115.65651	1.0
116.05334	1.3
116.07133	1.3
117.05576	1.0
123.00860	3.2
123.04501	4.0
123.08073	1.2
125.02410	3.3
127.07624	1.6
129.01924	14.7
130.04030	1.2
130.94331	3.2
131.03458	3.5
132.06625	1.2
140.07143	1.8
140.84940	1.0
141.01926	19.4
141.05554	11.4
143.03494	1.9
143.07086	2.9
145.04999	1.7
147.04512	1.2
148.95396	4.6
158.08205	2.4
159.03055	2.0
159.04460	1.3
159.06595	4.2
160.89247	1.9
161.08157	6.2
173.00999	1.2
175.03963	6.1
185.04526	18.8
202.94293	1.4
203.01939	100.0
203.03352	5.3
203.05573	12.2
203.09030	5.8
203.12839	2.7
204.02263	3.3
204.08803	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	203.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.0
55.01857	1.2
57.03442	4.2
58.02959	1.3
59.01382	6.8
60.85046	0.9
60.99300	2.2
61.38320	0.8
67.01895	2.1
69.03451	61.8
69.49470	3.0
69.49891	3.9
70.03776	1.1
71.01375	45.9
72.99306	8.7
73.02924	1.0
75.00858	3.3
79.01886	17.1
83.01370	2.4
83.05050	0.9
85.02937	10.1
85.06571	4.9
87.00870	11.6
87.04507	1.0
95.01377	6.7
95.05029	1.0
97.02943	87.7
97.06578	3.2
98.03303	2.0
99.00857	1.8
103.92021	1.0
111.00842	4.9
113.02438	5.9
115.00350	9.5
115.04005	1.4
115.07628	3.1
123.00894	4.2
123.04551	1.0
129.01929	14.3
141.01927	19.9
141.05566	4.9
143.03461	1.1
143.07158	2.1
151.47589	0.9
159.02994	2.5
159.06599	2.8
160.03999	2.6
161.04517	1.2
161.08188	4.9
185.04543	6.9
203.01949	100.0
203.05554	5.9
204.02371	2.2
204.08794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
57.31091	0.6
59.01372	100.0
60.01707	1.1
61.30979	0.7
69.03450	0.9
69.33749	4.8
69.34156	1.2
71.01369	5.5
71.05011	1.2
73.02950	3.6
83.01383	0.7
83.04975	0.8
85.02966	1.6
95.58817	0.6
96.03177	0.7
97.06577	0.9
101.02467	1.1
104.66040	0.7
109.06594	1.1
113.02438	0.8
127.07626	1.3
152.51445	0.7
159.11792	2.5
203.03732	1.3
203.05638	3.0
203.10988	1.1
203.12872	3.3
218.82990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0823
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
54.70939	0.7
55.67868	0.6
56.19434	0.6
59.01368	1.5
65.34202	0.6
70.06666	2.9
71.69635	0.7
72.00897	23.9
73.02945	1.3
73.10740	0.7
74.02464	30.0
74.27174	0.7
74.87340	0.7
79.09711	0.6
87.04500	4.1
93.12378	0.7
97.06583	2.5
99.04554	0.8
104.65707	0.6
113.06064	1.0
116.05045	100.0
117.05388	2.6
120.46999	0.7
130.06602	2.7
132.08145	1.0
142.06599	26.6
159.09256	17.5
160.09586	1.1
161.04787	1.4
169.21352	0.7
186.05573	3.1
203.08229	69.9
203.12845	2.6
204.08582	4.1
210.99138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1075
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
50.69603	1.2
52.45719	1.3
54.07887	1.1
57.03444	8.1
59.01371	32.4
61.98821	3.1
69.03430	4.6
69.87033	7.1
71.01368	8.0
71.05004	4.2
73.02934	19.4
73.59874	1.3
74.26096	1.3
79.05535	10.7
83.01385	1.6
83.05005	3.2
85.02923	2.4
87.04512	6.5
91.05496	3.9
95.05017	1.9
97.02925	8.3
97.06589	6.7
98.19878	2.7
99.04494	1.7
99.08238	1.3
103.91994	4.5
104.97713	3.6
109.06561	11.0
111.04515	4.2
113.02422	2.5
115.07661	2.2
117.07053	2.0
127.07632	8.1
127.08392	1.3
129.07086	10.7
131.05005	3.8
131.08659	2.3
133.10204	4.8
133.11137	1.3
137.81104	1.4
143.08635	17.7
147.04539	1.5
157.10167	7.5
159.04475	2.0
159.11769	100.0
160.12064	5.8
172.04056	1.8
175.03932	2.7
175.07591	4.3
180.08832	1.4
185.09691	2.2
185.11768	2.6
187.03868	1.5
188.04848	2.6
202.94106	3.7
203.03577	6.5
203.07047	4.1
203.10728	72.8
203.12798	17.8
204.11052	3.7
206.95274	1.2
208.48915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55777	1.7
57.03436	2.4
59.01372	50.2
61.98824	10.6
69.03433	3.0
69.57150	11.0
71.01360	4.5
71.05021	4.5
73.02940	9.1
79.05524	12.7
83.05031	2.7
85.02929	1.7
87.04523	4.5
91.05523	4.1
91.75012	1.6
97.06571	4.5
98.19832	1.9
99.04501	2.2
103.92018	4.2
104.97739	9.0
109.06591	4.9
111.04501	3.1
113.02434	2.7
121.02967	2.0
127.07646	3.8
129.07104	18.4
131.04982	3.4
142.12566	1.8
143.08652	9.2
157.10220	6.6
159.04498	2.5
159.11769	100.0
160.12117	1.8
202.94083	8.0
203.03476	4.6
203.05322	1.6
203.07199	3.8
203.10751	35.2
203.12833	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	203.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.4
59.01091	1.7
59.01371	23.9
66.03386	1.3
69.03446	4.7
71.01373	5.5
71.05009	4.0
73.02939	15.0
79.05520	8.4
83.05013	2.9
87.04475	5.8
91.05516	3.5
95.05009	1.4
97.02939	1.7
97.06580	7.5
99.04507	1.5
103.91981	2.6
104.97752	3.1
109.06591	9.4
111.04493	2.5
113.02493	1.4
113.05984	1.3
114.78915	1.3
115.07594	2.8
121.26740	1.2
124.79914	1.3
127.07626	8.5
129.07085	17.0
131.05016	3.0
133.10220	3.4
142.07826	1.2
143.08626	11.7
144.09344	1.5
145.05211	1.6
155.08600	1.4
157.10187	3.7
159.11775	100.0
160.12112	5.1
175.04024	2.4
185.09686	2.9
185.11842	2.7
188.04704	1.2
189.04231	1.3
197.96074	1.2
202.94128	2.0
203.03433	4.6
203.05325	1.1
203.07115	3.2
203.10736	27.5
203.12819	17.1
204.03145	1.4
204.06689	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	203.1075
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
57.03438	5.7
59.01369	19.5
65.03954	1.9
68.72620	1.2
69.03444	3.9
69.59476	5.9
70.77588	0.9
71.01376	7.6
71.05007	4.0
72.57753	0.9
73.02937	15.8
74.80197	1.0
78.62966	0.9
79.05525	10.4
83.01371	1.6
83.05020	3.1
85.02921	2.6
87.04498	5.2
91.05521	2.3
93.07093	2.0
97.02931	9.8
97.06580	5.9
99.04497	2.7
105.07081	2.6
107.05025	1.1
109.06584	11.3
111.04516	3.5
113.06022	1.2
113.09711	2.3
115.07667	2.9
117.07085	2.2
125.66947	1.0
127.07639	8.9
129.07100	8.7
131.05057	1.2
131.08667	3.0
133.10197	3.6
139.11205	1.6
143.03310	1.1
143.08629	19.1
157.10202	8.1
159.04466	2.4
159.11768	100.0
160.12088	4.3
161.06071	2.5
168.70714	1.0
175.03986	2.4
175.06058	0.9
175.07576	4.5
185.09636	3.3
185.11705	2.6
203.03458	3.0
203.05388	6.6
203.10732	82.2
203.12801	26.5
204.02911	1.2
204.11079	3.1
204.13258	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1075
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
51.35899	1.6
57.03444	3.9
59.01366	16.0
69.75984	3.1
69.76396	6.4
71.01364	5.0
71.05016	2.4
73.02939	14.7
79.05524	8.4
80.50149	1.8
83.01377	2.1
83.05031	2.0
87.04509	3.5
91.05531	2.1
93.90602	2.2
97.02925	10.1
97.06601	5.2
105.07110	2.1
109.06582	5.4
115.07677	3.4
115.54526	1.8
117.07111	2.1
127.07638	4.6
129.07083	11.8
133.10243	4.1
142.55576	1.8
143.08647	16.5
157.10228	7.7
159.11771	100.0
160.12155	5.1
175.07640	4.3
203.10779	74.5
203.12866	9.0
204.11108	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	203.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71053	1.3
57.03435	3.4
59.01376	12.4
68.53635	1.2
69.03436	1.8
69.22799	12.9
71.01377	4.1
71.05006	1.6
73.02932	10.4
77.65217	1.2
79.05504	7.1
83.05016	2.4
85.02887	1.3
87.04514	4.5
91.05534	3.9
97.02959	1.3
97.06589	3.3
101.10406	1.2
109.06577	4.1
115.07616	2.1
127.07595	2.9
129.07089	17.9
129.53586	1.2
142.07874	1.6
143.08667	11.8
144.09424	2.4
157.10197	4.2
159.11772	100.0
160.12114	4.3
175.04044	1.3
176.53424	1.5
185.09700	2.5
203.03459	3.2
203.05367	1.3
203.07156	1.9
203.10774	15.9
203.12871	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	203.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
57.22866	1.2
59.01374	14.4
65.43216	1.5
66.93810	1.5
69.03066	1.5
69.03434	1.8
69.46398	5.0
69.46828	6.1
71.01390	3.7
71.05022	2.5
73.02927	8.2
79.05523	9.9
83.05027	1.4
87.04501	3.5
92.05820	1.5
97.02944	4.6
97.06602	4.0
99.25665	1.5
99.86137	1.5
104.32751	1.6
105.07094	2.2
109.06575	4.3
127.07570	1.5
129.07079	15.7
133.10199	4.4
133.44263	1.5
143.08614	12.8
157.10175	5.6
159.11775	100.0
160.12115	5.4
185.09758	2.1
203.03441	3.0
203.10762	28.1
203.12820	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1285
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
55.59655	1.4
57.03180	2.5
57.03440	32.8
58.00575	4.1
59.01366	24.7
65.09147	1.5
69.03451	14.4
71.01373	26.8
71.05009	24.2
72.02164	1.7
72.34426	1.4
72.99289	4.2
73.02938	100.0
83.05006	9.6
87.04505	20.4
91.05528	8.4
95.05013	5.3
97.06574	29.4
98.20627	2.9
99.04523	4.3
100.99066	1.5
103.20000	1.5
107.05003	1.8
107.95365	1.3
109.06574	46.9
113.06065	5.7
115.07627	15.2
127.07637	37.9
132.76428	1.4
152.68867	1.5
184.80077	1.3
185.11819	9.6
203.12846	66.6
204.13118	2.9
220.47385	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	203.1284
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
50.50660	0.7
57.03438	10.1
59.01360	2.5
65.02898	0.7
69.03432	0.7
71.01378	1.6
71.05014	8.6
71.37247	0.8
73.02937	4.6
76.87693	0.7
83.04997	2.6
85.06577	6.0
87.04494	1.2
93.27628	0.6
94.29511	0.6
97.06560	3.1
99.08144	6.3
101.74246	0.7
109.06570	3.0
111.08113	0.6
113.09692	7.4
115.07651	0.9
121.19162	0.6
123.08118	0.9
125.09702	1.6
126.78926	0.7
127.07639	2.2
139.11256	1.9
141.09174	1.3
143.10719	2.6
155.10735	2.6
157.12314	13.2
183.10156	0.9
185.11787	19.0
186.12047	0.8
201.11299	7.5
203.12839	100.0
204.13205	5.2
214.20464	0.6
214.72913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51167	1.1
57.03441	15.1
59.01371	5.4
69.03465	1.6
70.97950	2.0
71.01382	1.8
71.05017	18.2
73.02930	9.4
83.05046	2.6
87.04504	3.1
97.02952	1.4
97.06580	3.3
99.08150	14.1
109.06593	7.4
115.07673	1.7
127.07633	5.2
139.11249	2.7
157.12326	12.0
165.03700	1.1
185.11783	17.7
201.11325	5.1
203.12863	100.0
204.13176	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	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03378	0.1
59.01374	12.8
59.53272	0.1
60.01708	4.7
61.01802	1.2
61.02092	0.1
61.98824	100.0
62.98524	0.1
71.30413	0.2
72.99292	0.2
73.02924	0.1
99.00880	0.1
100.41048	0.1
101.50538	0.1
115.25276	0.1
125.22019	0.1
143.86545	0.2
159.03369	0.1
160.03596	0.6
161.01231	0.2
161.06113	0.1
162.01649	0.3
164.83148	0.1
199.11342	0.1
203.99986	1.1
204.02742	2.7
205.05069	0.2
205.16034	0.4
224.25136	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81267	0.1
51.62990	0.1
59.01372	10.9
60.01704	4.1
61.01802	1.1
61.98822	100.0
62.02124	0.1
62.41488	0.1
68.26510	0.1
71.01399	0.2
71.55984	0.2
72.99316	0.1
85.02941	0.1
88.62592	0.1
89.27182	0.1
90.45177	0.1
96.41690	0.1
104.93564	0.1
108.19347	0.1
115.00339	0.1
143.86559	0.3
160.03746	0.5
161.06107	0.1
162.01660	0.3
166.06485	0.1
203.99979	1.1
204.02637	2.2
205.02953	0.1
205.05084	0.2
205.15903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.035
Annotation	Homoisocitrate
Peak:m/z	Relative Intensity
55.01867	5.4
57.03442	4.6
58.02962	3.8
59.01373	31.6
59.95791	1.3
67.01875	2.8
68.99810	2.6
69.03462	4.1
69.54068	8.8
69.54467	2.4
71.01379	28.3
71.05029	2.0
72.99300	47.9
73.02944	11.7
75.00867	20.4
81.03449	30.8
83.01384	7.6
85.02940	17.3
87.00862	24.0
87.04488	2.1
89.02444	2.5
97.02911	2.7
97.06580	5.6
99.00876	36.7
99.04490	7.7
101.02448	10.5
103.00379	1.7
111.00867	34.7
112.98811	6.2
113.02478	8.1
115.00369	26.6
115.04012	3.8
117.01942	12.0
124.98812	3.5
125.02433	100.0
125.06120	1.6
126.02724	2.1
127.00418	3.5
129.01935	6.5
131.03499	4.5
142.99864	8.1
143.03471	11.2
143.07140	14.5
145.01361	7.2
145.05055	16.6
154.99776	7.8
161.04536	3.9
173.00903	4.4
175.02458	2.7
187.02505	4.3
187.06088	5.4
205.03526	60.5
205.07133	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	205.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.3
57.03450	19.4
58.00576	4.5
59.01096	6.5
59.01376	100.0
60.99296	7.2
61.98807	7.7
62.83475	4.0
67.01898	4.1
68.99788	10.9
70.60645	8.2
71.01379	85.2
71.05025	5.0
72.21758	4.0
72.99303	84.4
73.02946	21.5
75.00874	63.1
83.01379	35.3
83.05003	5.5
85.02939	35.2
87.00864	32.4
87.04491	4.2
89.02453	18.9
99.00873	54.4
100.98795	6.9
101.02421	16.3
111.00874	42.0
112.98801	75.0
115.00361	59.6
115.04031	4.8
117.01917	9.3
120.71055	4.3
124.98762	8.0
125.02431	24.2
127.00381	4.4
129.01907	47.1
133.01411	14.3
142.99832	20.3
145.01418	19.3
148.92607	4.2
151.03957	8.3
154.99794	6.1
157.01375	7.6
161.06068	6.3
173.00929	10.9
175.02408	4.0
205.03467	6.7
205.05203	5.8
205.10626	4.8
205.15895	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	205.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47911	0.8
55.01877	1.5
57.03440	1.7
58.02967	1.8
59.01373	53.1
61.98808	1.0
67.01880	3.3
68.99791	2.3
69.03444	1.4
70.34988	1.9
70.35380	1.7
71.01376	18.8
71.05009	1.4
72.99302	18.9
73.02948	5.6
75.00861	8.2
81.03446	8.1
83.01372	2.6
83.05035	2.2
85.02934	9.3
87.00866	18.9
87.04488	1.1
93.03412	0.9
95.01366	0.8
96.99310	1.6
97.02956	1.8
97.05946	1.8
97.06583	37.3
99.00864	13.3
99.04503	13.4
101.02417	5.4
103.00344	1.1
109.02891	1.2
111.00868	38.8
112.98785	1.5
113.02411	2.2
115.00362	12.9
115.03993	2.7
115.07594	1.0
117.01904	3.5
118.03272	1.9
124.98785	1.9
125.02430	25.4
125.06068	2.7
126.02704	1.0
127.00350	1.1
127.03967	4.7
129.01924	2.9
131.03525	1.1
141.05530	1.9
142.99850	3.3
143.03458	6.1
143.07117	100.0
144.02988	3.0
144.07442	3.0
145.01364	3.9
145.05048	93.9
146.03661	1.1
146.05409	2.2
154.99823	2.9
161.02451	1.2
161.04601	1.4
161.06035	2.2
163.06062	0.9
173.00896	2.5
175.02469	1.3
187.06082	26.5
189.05614	0.9
190.02660	3.4
199.28680	0.9
205.03502	13.2
205.05272	3.1
205.07124	69.2
205.15913	7.9
206.07498	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	205.123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.0
65.12651	1.3
70.75655	2.4
70.76024	2.4
71.01366	3.3
79.05511	1.1
81.07068	8.4
85.02924	2.8
86.86028	1.3
95.61923	1.0
99.00878	1.6
99.04509	14.1
99.76484	1.1
105.07089	3.3
115.00345	1.4
117.03447	2.5
124.14343	1.1
133.39783	1.2
145.02916	1.3
161.06056	4.6
161.13338	36.6
162.13689	3.1
172.83781	1.2
187.11180	1.9
190.06287	1.5
205.01411	2.2
205.04980	4.1
205.12297	100.0
205.15929	7.9
206.12611	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	205.1231
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
59.01373	21.5
61.98815	2.4
62.29546	1.2
69.03439	1.8
69.53781	9.1
69.60937	1.2
71.01366	4.4
72.14194	1.3
72.99319	2.0
75.00872	1.9
79.05514	1.5
81.07093	6.4
85.02938	3.7
87.00881	1.9
93.03482	1.6
95.05038	1.6
99.00870	2.8
99.04507	11.4
105.07079	3.0
107.05025	10.5
107.22111	1.5
115.00360	3.0
117.03426	1.3
118.78139	1.2
133.02962	2.3
133.06595	2.9
134.97769	1.3
135.04486	8.2
145.02892	1.9
146.03735	1.8
161.06047	7.1
161.09711	4.2
161.13344	34.9
162.13692	2.1
163.11263	2.9
177.05550	1.4
187.11247	4.2
203.10762	4.9
205.01244	2.3
205.05063	6.7
205.06984	2.4
205.12291	100.0
205.15860	13.2
206.12575	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1231
Annotation	(plusmn)-Ibuprofen
Peak:m/z	Relative Intensity
51.75749	0.9
59.01380	13.1
65.03957	1.3
69.75900	4.5
69.76319	1.9
71.01387	2.8
79.05566	1.0
81.07082	8.9
85.02951	1.9
91.05482	1.4
98.20621	1.3
99.00893	1.7
99.04506	12.6
101.19183	1.1
105.07094	1.6
115.00363	2.0
133.06590	2.0
161.06055	3.5
161.13345	35.1
162.13660	1.4
177.01910	1.4
190.02603	2.0
199.87428	1.0
205.01324	1.6
205.05006	3.0
205.12306	100.0
205.15947	6.2
206.12624	6.4
209.95747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1231
Annotation	(plusmn)-Ibuprofen
Peak:m/z	Relative Intensity
50.09457	0.9
59.01371	5.2
65.75925	1.0
70.92628	2.2
71.01382	1.5
74.36722	0.9
79.05518	1.1
81.07077	8.5
85.02918	1.2
91.05534	1.3
93.07070	1.3
99.04503	14.1
105.07079	2.2
130.53258	1.0
161.06061	1.5
161.13336	37.7
168.98445	1.0
187.11208	1.2
205.03351	1.7
205.05093	1.6
205.12297	100.0
206.12624	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	205.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
59.28888	0.2
61.41889	0.1
65.10772	0.1
69.89907	0.8
70.59006	0.1
85.02961	0.3
96.33411	0.2
111.01961	0.2
131.20436	0.1
183.58919	0.1
189.12804	1.8
205.15935	100.0
206.16270	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	206.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58895	0.9
58.02965	31.9
59.01367	5.1
59.23814	0.8
64.35852	0.7
70.02964	12.0
70.04442	2.3
72.00900	5.3
78.78637	0.8
91.05518	11.6
95.36761	0.8
103.05507	1.6
125.26130	0.8
128.61487	0.8
129.01913	0.9
147.04503	36.9
148.04961	1.3
162.06367	1.7
162.09271	1.5
164.07137	100.0
165.07510	3.5
177.01941	4.0
186.07527	0.9
190.42953	0.8
192.04263	3.9
206.08189	43.5
207.06677	1.7
207.08566	1.7
217.90010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0819
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
54.56759	0.6
54.79898	0.7
58.02970	51.0
59.01376	6.8
61.75438	0.6
70.02970	12.5
71.61150	0.8
72.00906	4.4
87.00867	5.2
91.05529	10.1
93.03399	0.9
94.50319	0.7
103.05538	1.0
119.04996	0.8
129.01965	0.9
135.04492	1.6
143.76875	0.8
144.05367	0.8
147.04507	36.3
149.02446	1.3
162.06458	1.4
162.09232	1.7
163.03925	0.7
164.07143	100.0
165.07495	3.1
177.01920	6.9
192.04253	7.4
206.08185	50.2
207.06555	2.4
207.08353	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	207.0296
Annotation	3-[(1-Carboxyvinyl)oxy]benzoate
Peak:m/z	Relative Intensity
57.03420	0.8
59.01368	14.4
65.00312	1.1
66.48589	0.8
67.01888	1.1
68.99802	7.7
69.03444	5.3
69.68910	5.8
71.01365	2.3
75.00867	1.1
77.03955	9.5
91.05540	4.7
91.06027	0.9
93.03440	16.9
95.05015	35.3
96.05349	1.4
103.81339	0.8
104.02658	0.9
107.05002	3.8
119.05009	74.3
120.02181	1.2
120.05347	3.6
121.02934	26.2
123.90337	0.8
129.01938	2.8
135.04520	11.9
137.02422	1.3
138.05618	1.0
139.03999	8.1
147.02971	3.1
148.01672	5.1
149.02431	1.3
163.03989	100.0
163.11270	1.4
164.04314	3.4
165.01910	18.4
176.07178	2.0
177.01884	8.4
192.04262	10.2
207.02956	85.0
207.06552	4.3
208.03282	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	207.1386
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.76049	0.7
55.92170	0.7
57.03443	86.7
58.03768	1.1
59.01369	6.7
63.28515	0.7
69.03446	5.5
69.63471	4.4
71.05001	2.2
75.00866	0.7
77.89285	0.7
83.05021	1.0
84.75201	0.7
93.03429	1.0
95.05003	1.8
97.02931	2.6
98.20586	1.6
106.04212	0.9
107.04974	1.1
109.06576	14.1
110.06911	1.3
111.08117	1.2
121.06561	4.3
123.08169	2.7
123.15820	0.7
133.06606	1.9
135.08028	0.8
137.09712	18.5
139.07635	5.0
149.09741	5.1
151.07613	2.6
151.11241	0.7
163.11285	1.2
165.12796	2.8
177.01913	3.4
189.12825	5.0
192.04268	3.4
192.11545	45.9
193.11813	2.5
207.13878	100.0
208.14236	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03439	8.0
58.00576	5.2
59.01372	100.0
61.96472	1.1
71.01374	42.1
72.99291	3.5
73.02928	3.7
81.42612	1.1
81.69448	1.2
83.01390	5.0
84.02152	1.6
85.02946	26.4
87.00856	9.8
89.02433	40.1
97.02927	1.1
99.00842	1.7
101.02433	50.9
111.00860	1.6
113.02421	2.7
119.03490	24.4
129.01952	10.4
131.03400	1.4
131.71352	1.3
149.04559	1.5
159.02985	3.3
191.05568	2.8
191.93625	1.1
209.06604	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	209.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
57.03445	25.3
58.00581	1.5
59.01373	26.3
68.99809	1.6
69.03444	1.2
69.40812	7.4
69.41200	2.3
71.01374	14.1
72.99305	2.3
73.02930	3.2
77.40164	1.1
83.01393	5.6
84.02176	6.3
85.02943	77.2
86.97647	1.1
87.00868	22.8
89.02432	7.7
97.02928	2.8
99.00907	5.3
101.02422	5.6
111.00875	7.1
115.03994	1.6
119.03521	1.5
121.03150	1.3
129.01930	43.8
136.99091	1.4
141.01920	4.0
142.99814	6.1
159.02977	11.2
173.00948	1.4
181.27644	1.0
191.01927	1.8
191.05493	1.3
209.03084	3.5
209.06635	100.0
210.06972	2.3
229.16748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42453	1.7
55.01865	3.7
57.03442	12.7
58.00577	3.7
59.01370	100.0
62.47660	1.6
65.05011	1.4
68.99819	1.8
70.08944	7.1
71.01369	52.3
72.99296	7.1
73.02920	3.2
75.00861	5.7
78.95882	2.5
83.01376	5.9
84.02142	2.1
85.02938	65.8
87.00864	15.1
89.01890	1.3
89.02428	37.9
97.02918	2.2
99.00890	1.6
100.64888	1.8
101.02428	45.1
111.00872	2.8
112.98798	2.9
113.02441	3.5
119.03485	25.2
121.02943	2.2
129.01921	12.9
131.03510	2.9
133.01404	4.6
138.09091	1.5
142.99863	13.0
147.02962	2.0
159.03020	1.9
173.00949	3.6
191.01947	10.7
191.05560	3.5
209.03023	15.3
209.06604	27.9
225.26404	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	209.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04403	0.2
59.01377	0.9
59.11742	0.3
63.42118	0.3
67.01907	0.4
69.58841	1.2
69.59264	0.6
71.01380	0.5
81.03452	0.4
85.02953	1.4
87.00909	0.2
93.03454	1.8
95.01412	0.3
95.05013	2.5
105.03448	9.4
106.04293	0.4
107.05003	0.5
108.02177	0.3
109.02946	0.5
111.00875	1.3
117.03453	0.3
120.02171	0.3
121.02944	16.6
121.06568	1.6
122.03234	0.4
122.06178	0.5
123.04513	1.1
124.04065	0.3
133.02942	4.3
135.04555	0.5
137.02417	0.5
137.06075	0.4
139.00351	2.5
147.04507	0.8
149.02434	0.9
150.03148	1.6
151.03990	25.4
152.04291	1.5
161.02425	64.9
162.02737	2.7
165.05524	1.2
166.05110	0.4
175.04025	0.5
176.04761	30.6
177.05099	1.6
179.03471	100.0
180.03833	3.9
185.83893	0.3
191.01819	0.4
191.07118	11.5
192.07501	0.7
193.05034	0.6
194.05812	91.1
195.02940	0.4
195.06158	5.2
208.99092	0.8
209.04575	3.4
209.08160	31.2
210.08496	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	209.118
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03454	2.5
59.01372	100.0
60.01713	1.1
60.63314	0.5
63.18042	0.6
69.94878	2.6
76.22629	0.5
80.02682	0.8
81.03461	1.7
81.46164	0.5
95.05011	0.7
97.06551	3.2
105.51932	0.5
109.06575	4.5
121.02940	11.9
124.04036	0.7
139.00359	2.0
161.02408	1.0
165.12810	4.4
179.03552	0.9
194.02240	0.7
194.05731	1.5
209.04546	2.5
209.11797	21.7
210.12097	0.9
211.36174	0.6
227.75366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31561	0.7
53.99046	0.7
59.01366	3.9
59.86079	0.7
61.98812	3.0
63.18891	0.7
68.99814	1.0
69.99589	1.3
70.00007	2.6
75.00880	0.7
81.03458	0.9
85.02950	1.3
89.02420	0.9
93.03455	1.3
94.02937	0.7
95.01380	2.1
97.02926	0.7
97.06554	1.2
99.00861	0.7
101.02422	1.6
105.97634	0.7
107.05001	1.8
108.02142	1.0
109.02959	1.1
116.18909	0.7
121.02924	1.3
123.04486	3.9
124.04013	0.9
125.02395	1.2
129.01929	1.1
134.03717	2.9
135.04543	1.4
136.04042	2.4
137.02443	2.2
137.06053	1.2
148.01625	0.8
150.03276	1.2
151.04008	7.8
151.06071	4.5
153.05574	1.2
156.93864	0.8
164.03517	15.0
165.03871	0.9
166.01468	1.2
166.91035	0.9
167.10712	0.7
167.14389	1.5
174.68709	0.7
176.78307	0.7
179.07060	0.8
180.03014	12.7
181.03775	5.1
181.05145	1.3
183.13850	3.7
186.67676	0.8
193.02551	1.5
193.05099	0.9
193.12315	1.6
194.03326	8.4
196.01224	1.4
196.03773	1.5
201.84015	0.7
211.03590	100.0
211.05812	3.7
211.13367	58.9
212.03940	3.9
212.13727	2.0
213.02730	0.8
226.02226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28374	0.4
57.44113	0.3
59.01374	3.5
60.99305	0.8
69.54568	2.9
78.87305	0.4
81.03441	1.1
83.05023	0.7
83.32869	0.4
95.05006	0.6
96.92537	0.4
97.06572	3.4
109.02898	0.5
109.06567	1.0
111.08122	0.6
130.35361	0.4
135.08171	0.4
139.07651	0.6
149.13310	2.8
165.12775	2.5
167.14374	4.3
193.12282	7.1
194.12483	0.5
209.11792	1.7
211.13350	100.0
212.13710	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	211.1337
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01369	5.2
60.99295	1.2
68.99826	0.4
70.58439	0.9
71.01376	0.4
77.27994	0.4
81.03423	0.5
97.06573	1.6
137.06108	0.4
149.13304	1.4
162.14969	0.4
165.12794	1.3
167.14369	2.5
169.92674	0.4
171.91142	0.4
177.70850	0.4
186.60799	0.3
193.12292	4.6
194.12590	0.4
209.11880	1.7
211.13358	100.0
212.13695	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	211.1337
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
60.28876	0.3
69.03439	0.8
70.36707	1.2
76.33453	0.4
83.04995	0.7
86.38072	0.3
96.73267	0.3
165.12825	0.6
167.10774	1.0
167.14412	1.1
183.13875	13.1
184.14224	0.6
189.87227	0.3
193.12308	3.4
211.13362	100.0
212.13715	6.3
221.89838	0.4
227.16566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.4
63.77507	0.4
69.03443	0.8
69.98852	1.7
72.92747	0.4
79.70169	0.4
98.19934	0.6
106.45673	0.4
107.05031	0.6
116.53403	0.4
119.84319	0.5
135.04498	0.6
137.02437	0.6
137.06088	0.7
143.52257	0.5
151.06113	0.7
167.10661	0.6
167.14430	1.1
176.23174	0.5
183.13876	12.3
187.72032	0.4
193.12306	2.8
211.03586	1.9
211.13367	100.0
212.13718	6.7
233.72968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.3
67.01882	52.0
68.02224	0.7
69.03447	37.0
70.03791	0.7
73.02932	4.4
79.15975	0.3
83.01445	0.3
91.05558	0.3
93.03452	1.9
93.07093	1.0
95.05016	39.2
96.05370	1.0
97.03017	0.4
98.19827	0.7
99.04507	68.8
100.04844	1.9
109.02926	0.3
109.06585	1.8
111.00868	100.0
112.01223	2.1
119.04980	0.6
121.02941	23.9
122.03247	0.8
125.06081	0.4
137.02423	0.6
137.06068	15.5
137.07149	0.7
138.06413	0.4
139.03992	3.1
143.03488	0.7
151.07642	0.5
151.11238	2.0
153.05556	7.4
153.06705	0.6
169.08688	4.4
169.12317	11.3
170.12794	0.4
181.05043	8.4
182.05540	0.5
183.13884	3.3
195.13858	3.5
197.99152	0.6
213.01492	0.5
213.07698	0.6
213.11613	2.5
213.14928	15.2
214.15259	0.7
220.21773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1493
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
59.01334	0.2
63.11517	0.2
66.33768	0.3
69.53274	0.9
69.53677	0.7
82.42104	0.2
88.46176	0.3
94.58249	0.2
110.38505	0.2
127.01723	0.3
147.56889	0.2
165.97493	0.3
177.12706	0.4
183.13870	24.3
184.14188	1.0
188.88673	0.2
195.13875	21.9
196.14172	1.4
203.63309	0.2
211.13353	0.6
213.14925	100.0
214.15271	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	213.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54470	0.4
59.01368	0.5
69.03441	0.7
70.91684	0.9
81.21165	0.3
95.04946	0.4
115.34125	0.4
125.69466	0.3
137.02423	0.4
167.14407	1.1
183.13875	6.5
184.14232	0.6
193.97987	0.4
195.13869	14.5
196.14258	0.9
211.13347	1.4
213.14935	100.0
214.15280	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	215.0922
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
54.43681	0.5
54.88205	0.4
55.25510	0.5
59.01347	0.6
71.61971	0.6
74.13735	0.4
83.05013	0.5
85.06571	0.7
99.00881	0.5
109.23145	0.5
123.08157	4.5
125.06006	0.7
125.09711	17.8
126.10029	0.5
127.11275	0.7
129.05545	0.7
135.08136	0.8
137.24434	0.5
141.09201	34.3
142.08691	1.6
142.09648	0.9
144.00923	0.7
153.09190	75.5
154.08606	9.3
154.09741	1.1
167.07088	3.0
169.08681	1.2
171.10246	25.8
172.09631	2.7
185.08168	15.7
185.09827	0.9
197.08162	32.2
198.08403	0.8
200.53036	0.5
215.00995	9.2
215.09200	100.0
216.01276	0.9
216.09573	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0921
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
55.01846	1.3
59.01373	5.8
60.99297	1.5
66.39763	1.2
69.40210	9.9
71.05019	1.3
73.02940	22.6
83.05013	1.3
85.02953	1.3
87.04506	4.4
88.41889	1.1
97.06572	6.1
98.14438	1.1
99.04500	5.7
109.10198	3.4
111.04521	2.0
125.02425	3.2
125.06065	1.3
125.08888	1.2
125.09664	6.2
135.04483	2.2
135.08145	3.5
141.09209	7.5
144.00902	2.4
153.09204	32.6
169.08629	2.0
171.10258	61.0
172.10571	1.8
180.38838	1.1
197.08141	8.0
203.42416	1.2
214.97662	1.1
215.00961	19.0
215.09203	100.0
216.09534	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	215.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80444	0.6
59.01364	1.4
59.75918	0.8
61.45502	0.7
62.50201	0.7
69.79163	3.5
72.99302	1.1
73.02965	0.9
82.39836	0.7
93.57972	0.7
94.81687	0.8
123.08164	2.7
125.08784	1.1
125.09709	21.1
135.08128	0.8
137.93413	0.6
141.09203	34.8
142.09474	0.8
153.09193	75.3
154.09508	3.5
167.07092	3.3
169.08629	1.2
171.10246	30.3
172.10579	0.9
185.08167	16.1
197.08156	33.5
198.08467	1.5
215.00980	8.1
215.09201	100.0
216.09608	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	215.1649
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
59.01371	1.8
64.04768	0.4
69.36492	1.1
69.36897	4.1
71.01368	0.7
87.66924	0.5
89.02433	1.2
99.00857	0.6
101.02437	0.9
142.52408	0.5
144.00923	2.8
169.15956	3.8
175.59961	0.5
179.05670	0.6
197.15425	1.7
213.14876	0.6
215.00983	25.7
215.03128	0.8
215.07114	1.1
215.16487	100.0
216.01314	1.8
216.16844	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	217.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89085	0.6
56.02893	0.6
57.03439	1.5
59.01370	3.8
69.99386	0.6
71.01376	1.4
71.05002	1.2
71.60797	1.0
72.99299	20.4
73.02937	10.0
73.99620	0.7
75.00864	93.3
76.01191	1.3
76.02608	0.6
83.01385	0.8
83.05032	0.7
85.02924	4.6
85.06563	1.3
87.04491	1.9
97.06570	3.5
101.02422	1.2
101.06084	1.2
115.07614	0.8
127.03974	0.8
127.07626	1.3
129.04208	0.7
129.09209	1.4
137.09662	0.8
143.04987	0.8
146.08226	3.2
155.10730	1.2
160.05276	1.8
161.06229	0.9
171.04510	0.7
171.10147	0.7
173.11812	0.8
174.03200	0.9
181.07101	1.4
189.05533	1.9
199.09740	2.8
202.02666	1.3
217.05124	3.9
217.10762	100.0
218.11067	5.8
221.53185	0.7
232.73904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1078
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
51.77987	0.6
52.88182	0.5
53.53936	0.6
55.08919	0.5
59.01366	1.0
59.91874	0.5
69.41160	4.6
71.01384	0.7
72.99299	23.3
73.02940	9.0
75.00863	100.0
76.01199	1.3
85.02933	5.4
97.06592	2.9
97.21125	0.6
98.20573	1.4
103.06800	0.5
137.09720	1.1
142.12395	0.6
174.03148	0.6
177.06442	0.5
199.09776	3.0
209.38881	0.7
217.10767	85.4
218.11124	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	218.103
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
57.03431	1.9
58.00578	0.5
59.01376	6.6
70.61359	1.4
71.01373	13.7
71.05011	18.1
72.00894	1.2
73.02936	4.1
74.02479	0.5
75.00835	0.6
83.05024	0.9
83.21061	0.5
85.02960	0.6
87.04489	3.5
88.04029	100.0
89.04366	1.1
90.57124	0.5
95.04997	0.6
97.06549	1.8
99.04498	6.0
101.06073	0.9
103.31659	0.5
107.04958	0.6
110.03712	0.7
110.97915	0.5
113.06068	1.8
116.03477	0.9
116.07172	2.4
123.08168	0.6
125.06055	1.4
129.05550	1.2
146.08205	45.0
147.08548	1.4
149.64345	0.5
159.10214	2.2
174.01929	1.1
177.18130	0.5
201.11269	1.9
218.10289	32.7
219.10596	1.5
219.12349	16.3
219.17343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.9857
Annotation	Isophosphamide mustard
Peak:m/z	Relative Intensity
54.86779	4.1
58.00465	3.8
59.01381	7.8
68.78979	4.6
69.28548	41.1
120.37569	3.6
135.03326	4.2
149.79506	3.7
154.81172	3.6
184.49680	4.1
185.39323	4.6
189.01848	4.2
218.98570	100.0
219.13876	7.0
219.17496	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	218.9858
Annotation	Isophosphamide mustard
Peak:m/z	Relative Intensity
55.27396	2.5
59.01384	12.3
61.98798	2.9
70.93671	3.9
72.00819	2.3
93.42729	2.6
99.37327	2.6
121.52900	2.5
142.17433	2.4
160.13625	2.4
202.93755	2.8
204.04243	3.6
218.98567	100.0
219.02950	3.4
219.06538	3.9
219.17517	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	219.1023
Annotation	Precocene II
Peak:m/z	Relative Intensity
59.01364	2.3
61.98818	6.5
68.99818	1.2
70.35648	1.9
82.00578	0.9
91.73392	0.5
92.02642	7.1
95.01376	24.4
96.01696	0.9
106.00587	1.2
108.02160	21.1
123.00862	3.2
126.64108	0.5
132.05791	4.9
136.01642	100.0
137.01962	2.8
175.11298	5.2
219.10223	66.1
219.17413	4.1
220.06230	0.7
220.10545	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	219.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67181	0.4
52.39285	0.4
57.03443	2.7
57.90189	0.5
58.00590	0.6
59.01371	5.9
69.03436	0.6
71.01382	2.8
71.05019	1.4
72.99295	1.2
73.02935	2.0
75.00853	0.5
76.07843	0.5
83.05002	0.9
85.02946	1.5
85.06564	0.7
87.00875	0.8
87.04508	2.1
95.04998	0.6
97.06574	2.0
99.08128	1.1
100.83523	0.5
101.06056	0.8
103.47709	0.5
109.06612	2.3
111.08131	1.5
113.06075	0.6
113.09697	0.8
115.07635	1.5
115.08479	0.6
123.08086	1.2
125.09740	2.9
127.07619	1.3
129.08270	0.9
129.09210	13.1
137.09727	0.8
141.09210	3.0
143.10765	11.7
153.09164	1.4
155.10799	4.0
159.10266	2.5
173.11694	1.1
176.07039	0.5
183.10211	0.8
189.11375	0.6
197.57166	0.4
199.09744	0.8
201.11301	7.2
202.94531	0.5
219.12347	100.0
219.17519	2.0
220.06114	1.4
220.12604	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	219.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
59.01377	3.5
59.20768	0.5
65.94888	0.4
71.01376	3.8
71.05005	1.7
72.99291	1.9
73.01128	0.6
73.02924	1.9
81.71188	0.4
83.05003	0.5
85.02973	1.0
87.04511	2.2
91.38667	0.4
97.06586	1.1
99.04498	0.7
99.08157	1.2
101.06045	1.1
107.05007	0.5
113.06075	1.8
125.06045	1.5
125.09726	1.1
129.08282	0.9
129.09212	16.2
137.09676	0.7
137.42072	0.4
153.09152	0.7
155.10765	6.6
158.66101	0.4
159.10258	3.2
176.07237	0.7
189.11372	0.6
199.09709	0.7
201.11314	6.0
219.12341	100.0
220.12660	5.0
220.41992	0.5
229.04581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
57.03444	1.8
58.00600	0.2
59.01367	1.0
61.98817	0.2
69.03456	0.3
69.56859	0.4
69.57272	0.9
71.05009	0.6
72.99281	0.3
73.02926	0.2
85.49011	0.2
95.05036	0.4
97.06580	2.2
99.08135	0.7
99.42680	0.2
109.06580	3.2
111.08188	0.4
113.09717	1.6
123.08161	2.5
125.09712	5.5
127.07626	1.6
135.08109	0.4
137.09727	1.0
141.09207	6.3
142.09396	0.2
143.10764	20.7
144.11101	0.8
147.04475	0.3
153.09190	3.6
155.10764	1.9
171.10281	0.3
173.11806	3.0
175.03972	0.5
175.07678	0.2
184.73615	0.2
201.11491	0.2
204.04240	0.8
217.10815	0.5
219.12349	100.0
219.17416	1.9
220.12672	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	219.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.7
59.01345	0.8
71.01378	4.8
71.05020	3.1
72.99288	2.2
73.02914	0.7
80.56142	0.5
81.03467	0.8
83.05013	15.9
85.06562	1.4
87.00859	1.1
92.71177	0.5
99.08161	3.3
101.06042	0.7
106.33575	0.6
109.14269	0.5
111.04500	1.3
111.08138	1.1
113.23471	0.5
123.56278	0.6
127.07631	1.5
129.09203	30.2
137.09698	1.5
155.10785	6.4
157.12349	1.0
183.10234	1.5
199.09763	0.9
201.11299	22.9
219.12340	100.0
220.12730	4.1
229.11606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97008	2.6
57.03439	9.0
59.01376	61.2
59.62193	2.6
63.95494	2.5
69.03442	6.0
70.32864	6.4
70.33264	5.3
71.01378	21.8
72.99302	7.3
73.02917	10.6
81.03459	4.4
83.01369	4.6
83.05010	5.0
85.02943	48.7
87.00867	16.7
88.84071	2.7
89.02429	10.5
98.03270	3.2
99.00878	3.1
99.04505	5.5
101.02426	7.9
102.02758	2.9
109.02864	2.9
109.84344	2.4
111.04498	6.9
111.48640	2.8
113.02421	5.6
115.00325	4.1
125.02436	5.5
129.01936	28.1
130.02243	8.7
131.03462	5.6
141.01988	4.1
145.01376	3.1
157.54669	2.4
161.04497	8.4
182.07504	24.6
202.07259	3.3
203.05539	8.0
220.05132	13.4
220.08066	3.8
221.06641	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	221.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	11.3
59.01375	72.4
62.42755	0.7
67.82427	0.7
69.03449	4.0
71.01376	23.6
71.59775	0.7
72.98996	0.8
72.99313	9.5
73.02951	5.0
75.00842	1.1
81.03412	1.2
83.01356	1.5
85.02942	20.5
87.00866	9.0
87.04494	4.4
89.00645	1.3
89.01957	1.2
89.02439	9.6
91.02206	2.1
93.03429	1.4
97.02940	4.3
99.00829	1.0
99.04494	1.9
100.04241	0.9
101.02418	3.5
109.02959	1.0
111.04504	2.3
113.02419	2.7
115.00360	1.8
115.03914	1.2
117.97324	1.2
125.02427	1.7
129.01930	100.0
130.02252	1.8
130.72037	0.9
131.03464	3.7
132.99603	1.2
133.01411	9.8
133.02975	1.4
134.03662	1.1
141.01956	7.9
143.03459	1.2
159.02962	6.0
159.04462	26.5
160.04826	1.0
161.04538	7.3
162.03178	3.2
177.02049	0.9
177.04047	1.9
177.05550	27.0
178.05902	1.3
180.06641	1.0
194.02141	1.7
203.01935	3.8
203.05612	1.3
207.38113	1.0
221.02913	2.6
221.04611	3.4
221.06592	26.8
222.04803	1.2
222.06929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16125	0.6
54.16277	0.6
57.03430	2.1
58.00583	0.7
59.01372	26.4
69.03442	1.6
69.73012	3.0
71.01373	9.8
71.05013	1.7
73.02937	37.2
73.91208	0.6
83.05009	1.5
85.02943	5.3
85.06570	1.3
87.04504	26.1
88.04835	1.0
96.30573	0.7
97.06579	16.1
98.20625	0.9
99.04514	3.6
101.06063	4.4
103.03981	4.7
109.06555	2.0
113.06068	3.4
115.07639	5.2
119.08613	0.9
127.07644	2.0
131.07156	1.0
133.08618	0.9
139.07640	1.6
145.08656	1.4
151.42686	0.7
155.10806	1.0
157.08649	0.8
159.10248	15.0
160.10580	1.0
161.04535	1.6
175.09723	20.5
187.09885	0.8
189.11325	2.9
201.11374	1.2
203.12813	1.1
221.13902	100.0
222.14235	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	221.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62501	0.6
57.03428	1.9
58.00587	0.9
59.01371	14.3
69.03438	1.9
69.55445	0.6
70.92911	1.7
71.01365	7.4
71.05000	1.5
73.02937	32.1
83.05024	0.9
85.02921	3.6
85.06573	2.5
87.04501	25.6
95.05064	0.7
97.06575	17.0
99.04505	3.2
101.06047	4.4
103.03989	4.6
109.06567	1.7
113.06076	4.2
115.07632	6.8
126.01349	0.6
127.07600	1.4
131.07127	1.3
137.09647	0.7
139.07631	1.1
145.08752	0.9
155.10747	1.3
157.90906	0.7
159.10237	13.6
175.09714	22.1
189.11284	2.7
203.12828	1.1
221.13899	100.0
222.14258	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	223.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73248	0.2
57.58177	0.2
59.01371	5.4
65.00315	0.6
69.03448	0.2
71.01394	0.2
71.61559	0.1
85.02925	0.2
86.02325	0.2
87.81431	0.1
89.03962	1.2
91.05510	1.4
93.03447	1.5
101.02442	0.7
104.02705	0.4
117.03450	1.7
117.89363	0.2
119.05013	2.3
121.02943	30.5
122.03271	1.2
131.03522	0.2
132.02156	1.9
135.04510	0.9
147.04514	6.3
148.04875	0.4
149.02429	100.0
150.02760	3.7
152.01129	0.3
163.04025	1.5
163.06145	0.9
164.04778	62.2
165.01881	0.4
165.05099	2.9
169.05113	0.2
178.02740	0.2
179.07114	4.3
180.07365	0.2
181.05013	0.5
193.01382	1.1
208.03720	1.4
223.06084	23.1
224.06471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	40.6
60.05043	1.2
66.57843	1.0
67.01894	7.4
67.41891	1.2
68.99809	60.1
69.03449	100.0
70.03748	2.0
71.01378	1.3
71.16698	2.7
84.02778	1.2
85.02929	2.1
91.05504	2.3
93.03443	8.7
99.00863	1.6
101.02434	82.5
111.25892	1.2
117.03477	1.5
119.04220	1.7
119.05016	15.5
121.02943	61.0
122.03208	1.9
127.04003	21.4
135.04497	5.2
145.02943	1.1
146.03720	1.1
147.04498	19.1
149.02426	80.5
150.02792	2.9
152.01108	4.1
153.01891	1.4
153.05481	1.3
161.06078	1.1
163.04015	9.8
163.06084	4.4
164.04770	35.9
165.01866	3.5
165.05089	1.2
174.54192	1.1
179.07126	16.3
179.10587	1.2
179.95769	1.2
181.05009	10.2
191.03517	6.0
193.01402	17.0
208.03751	20.1
209.04092	1.2
223.02734	1.4
223.06078	30.9
224.06400	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	223.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14704	2.2
59.01380	25.3
67.05528	2.5
67.35334	2.2
69.79578	14.7
77.89429	2.3
81.84299	2.2
82.13493	2.3
101.02458	3.7
135.11783	31.6
157.09972	2.5
161.09618	4.4
179.10744	100.0
180.11028	2.7
201.39819	2.4
217.74524	2.9
223.09860	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0972
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
59.01371	35.7
73.02961	4.9
73.19619	2.5
74.97848	2.3
135.11800	33.9
161.09714	4.7
163.06171	3.0
179.10757	100.0
180.11124	3.5
218.64511	2.5
223.09644	6.0
223.13278	5.1
229.09615	3.4
230.49205	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	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03433	1.5
59.01368	19.3
61.98815	1.3
69.03445	7.3
69.28835	1.4
69.29250	3.8
71.01353	1.0
71.04993	2.2
73.02937	0.6
73.28326	0.5
83.05013	1.1
85.06578	1.4
88.32459	0.6
93.03432	0.7
95.05007	1.3
101.02432	2.0
109.06558	1.4
131.03487	0.6
141.01627	1.0
149.09718	1.3
161.13281	1.2
163.06084	1.8
166.06311	1.1
167.10727	7.1
177.12823	2.0
179.10767	3.5
179.14375	9.2
180.14786	0.8
183.76234	0.6
193.01427	0.7
195.13858	24.2
196.14270	1.5
205.12299	22.2
205.14256	0.9
206.12585	1.6
208.03720	1.4
223.13347	100.0
224.13689	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	223.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01702	0.9
68.99804	0.6
69.03410	0.6
69.71542	2.9
70.90781	0.5
71.04999	0.7
87.00871	1.1
89.81414	0.4
91.48356	0.4
95.67501	0.4
101.02456	1.0
111.00854	0.6
115.85336	0.4
119.05019	2.2
121.02934	1.3
147.04492	1.3
161.13312	2.0
163.06052	0.9
163.11247	0.6
179.07115	2.9
183.28975	0.4
210.08162	0.5
223.06067	1.9
223.13350	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	223.1337
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
59.01373	100.0
60.01706	1.2
61.01832	0.2
68.99807	0.7
69.03448	1.3
69.50663	1.8
71.01379	0.5
71.05013	0.9
73.02958	0.7
75.03437	0.2
81.07095	0.3
85.02943	0.7
87.00885	1.3
88.57608	0.3
88.83115	0.2
92.01749	0.3
92.02323	0.3
93.03466	0.4
95.05009	0.3
101.02425	1.8
104.92630	0.3
121.02904	0.8
123.04474	0.3
124.69257	0.3
131.03506	0.3
135.11794	2.5
147.04491	0.3
150.56792	0.2
153.09108	0.3
161.09673	0.4
161.13324	1.7
163.06091	2.0
163.11293	0.4
165.01897	0.2
179.07120	0.8
179.10753	7.2
180.11147	0.3
193.01364	0.5
205.12192	0.3
208.03661	1.0
223.06062	1.1
223.13342	18.6
224.13765	1.5
234.36754	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.113
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.73662	0.6
55.95829	0.6
57.03455	0.6
59.01372	100.0
67.20582	0.6
70.87920	0.9
70.88250	1.5
81.03459	1.4
95.05032	1.6
97.06571	8.0
109.06499	0.6
130.95238	0.6
132.50775	0.6
135.08127	1.6
147.08125	3.3
151.11305	0.8
163.11259	1.5
165.09193	2.6
181.12341	1.6
225.11295	43.7
226.11659	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.8
59.01372	100.0
60.01698	1.2
69.67661	2.6
69.68075	1.1
71.05010	3.4
81.03443	0.8
87.04493	5.5
95.05028	3.1
97.06608	1.1
99.04536	0.8
100.80727	0.8
101.02440	0.9
103.16456	0.6
106.93308	0.8
107.05035	1.2
109.06583	1.3
123.08146	25.7
150.65361	0.6
163.11284	7.5
165.09224	1.5
181.12347	1.9
183.10300	2.1
225.11311	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	225.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48248	0.8
53.79301	0.8
59.01369	1.9
66.23244	0.9
69.54296	5.8
72.48031	0.7
73.02935	7.4
75.99537	0.7
76.54736	1.0
83.05007	0.9
92.85918	0.7
93.03419	1.0
95.05006	4.6
102.94051	0.9
104.07658	0.8
125.51198	0.8
137.06085	1.2
145.10297	1.1
163.11276	11.3
181.12315	70.0
182.12601	3.2
207.10257	2.8
225.11288	100.0
226.11687	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	225.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.4
60.98261	0.3
68.99796	0.4
69.85242	0.3
76.62281	0.3
80.24313	0.4
80.61832	0.3
83.05040	0.3
101.02421	0.8
106.58588	0.3
122.64931	0.4
141.68974	0.4
163.14952	0.8
169.12285	0.9
179.14365	0.5
181.12309	1.0
181.15982	0.8
189.12868	0.6
189.76033	0.3
195.13869	7.8
196.14206	0.3
197.15450	3.9
205.12299	0.4
207.13857	22.4
208.14203	1.1
210.05389	0.9
225.14920	100.0
226.15294	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	227.0558
Annotation	Carlosic acid
Peak:m/z	Relative Intensity
54.28489	1.8
57.03433	8.2
58.01720	1.9
59.01369	15.0
67.01890	2.4
68.99812	3.5
69.03452	1.9
71.01370	33.0
71.59738	1.7
71.60122	3.1
73.02924	4.3
74.31693	2.2
83.01392	12.6
83.05014	2.4
85.02933	13.4
87.00872	7.2
89.02438	5.1
95.05033	4.3
95.08652	4.9
97.38326	2.0
99.00870	42.2
101.02431	6.3
109.06598	2.7
111.00856	34.0
111.04471	3.5
112.98795	86.2
115.00389	2.4
121.06588	17.8
123.04492	3.1
127.67067	2.3
129.01900	21.6
139.07632	100.0
140.07973	4.7
142.99843	8.8
155.04599	3.8
165.05562	38.3
173.00890	28.1
181.07173	32.7
183.06615	27.3
191.01941	6.9
226.99709	10.5
227.05547	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	227.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67880	0.4
59.01360	0.5
67.01884	47.6
68.02239	0.7
68.99810	37.2
69.03448	0.8
69.62429	0.4
69.66294	2.3
70.00150	0.5
71.01353	0.6
73.62949	0.4
81.03437	0.7
81.60753	0.4
83.01371	0.4
83.89304	0.4
95.05004	0.6
98.20596	0.8
99.00883	0.7
99.04496	0.8
101.02431	100.0
102.02748	1.6
107.05019	1.5
108.26041	0.4
112.01644	2.5
121.06593	1.2
127.03999	94.3
128.04326	2.4
133.06516	0.5
135.04491	1.0
137.76212	0.4
149.06059	1.1
151.04027	0.4
168.08061	0.4
177.05554	0.7
183.13879	0.8
209.08188	2.3
209.11774	0.7
213.03029	0.5
227.09254	12.4
227.11580	0.9
227.20110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
71.37981	1.2
111.08180	0.9
111.98781	0.6
112.52820	0.6
128.01097	0.7
165.12833	20.5
166.13109	0.8
183.13876	100.0
184.14206	4.2
209.11830	1.6
227.12859	26.6
228.13203	1.8
243.67197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03446	4.4
59.01366	0.9
61.92960	0.4
69.03448	0.5
69.32551	3.3
71.05013	1.1
73.02918	0.5
79.05515	0.5
85.02942	2.4
87.04505	23.3
98.20559	0.9
125.09662	0.8
128.56796	0.4
136.88777	0.4
139.07655	3.9
147.11772	1.7
165.12830	4.5
181.12299	1.6
183.13925	0.9
209.11780	2.0
212.29050	0.5
227.12854	100.0
228.13185	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	227.1287
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.45841	0.3
52.99827	0.2
54.19230	0.3
54.54246	0.3
55.01868	0.3
59.01358	0.4
69.46076	0.8
69.46499	1.4
71.05019	0.6
72.48593	0.3
75.31647	0.3
80.02663	1.7
81.03454	1.7
83.01414	0.5
83.05016	6.3
84.02155	3.9
87.63013	0.3
87.72686	0.3
93.03482	0.3
95.05006	1.1
99.12955	0.3
101.02407	0.3
109.06571	0.4
125.06060	0.9
125.09716	0.7
135.08141	0.7
135.19205	0.3
139.11240	0.3
146.55988	0.3
163.11261	5.4
164.11484	0.3
165.12822	4.2
165.94740	0.3
181.12300	1.2
183.13916	0.4
191.10760	1.6
209.11797	100.0
210.12114	4.6
221.33138	0.3
225.56354	0.4
227.07262	0.4
227.12859	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
69.41459	2.1
86.63985	0.3
94.46757	0.3
111.08121	1.3
129.73439	0.3
165.12823	21.0
166.13142	0.8
178.89948	0.3
183.13869	100.0
184.14395	4.0
191.10745	0.3
209.11792	1.7
227.12852	24.1
228.13153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.165
Annotation	13-Hydroxy-2-tridecenoic acid
Peak:m/z	Relative Intensity
59.01366	1.2
69.71588	1.8
76.75047	0.4
93.18681	0.4
95.01418	0.4
101.02412	0.7
135.58649	0.3
137.02409	0.5
139.11293	0.7
165.12802	1.4
181.07111	0.5
183.13890	4.1
197.15433	11.5
198.15805	0.5
199.13176	0.3
209.11980	2.7
209.15428	11.7
210.15761	0.9
225.14952	0.6
227.12817	5.0
227.16486	100.0
228.16792	6.4
242.90288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30956	0.5
71.05029	0.6
71.60704	0.6
78.94045	0.5
110.20995	0.5
114.09266	0.6
128.07179	0.5
129.32196	0.4
156.13916	11.1
174.70656	0.4
184.13397	100.0
185.13756	3.5
221.42140	0.4
228.12331	5.1
228.20396	0.5
229.14392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0714
Annotation	GEIR-3
Peak:m/z	Relative Intensity
54.44125	1.3
58.90593	1.5
59.01091	2.5
59.01372	35.7
69.03453	9.6
69.84859	5.9
72.78545	1.6
90.14210	1.4
95.05022	2.9
97.06572	6.4
98.20663	1.8
100.45850	1.4
107.05060	3.4
111.04478	7.8
111.07371	1.7
111.08140	28.1
123.04589	1.7
123.08150	34.9
125.06087	3.8
128.36070	1.6
130.08725	22.9
141.05562	13.7
141.09187	3.2
143.11882	26.9
185.08167	100.0
185.12880	3.4
186.08519	6.2
229.07135	59.9
229.11885	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	229.0714
Annotation	GEIR-3
Peak:m/z	Relative Intensity
50.08813	1.5
52.14778	1.6
57.03446	3.1
59.01361	7.8
59.03321	1.5
60.99284	1.6
65.03954	2.1
66.20194	1.6
69.03435	3.2
70.43745	2.0
71.01366	8.2
71.05003	1.9
71.15686	3.8
72.99300	4.6
78.95897	3.7
79.14851	1.5
79.45981	1.5
83.01371	4.3
83.05006	5.0
85.02934	2.6
87.00854	12.7
88.49780	1.6
89.02427	3.2
93.03409	2.1
93.07100	13.7
95.04990	6.1
96.04510	2.6
96.96955	3.8
97.02928	6.5
97.06571	6.1
99.00857	3.3
105.07109	9.4
107.05029	5.9
108.04548	2.5
109.06588	3.1
111.00844	6.4
111.04503	5.1
111.08147	40.7
112.98807	8.7
114.00180	3.6
115.03975	2.6
121.06564	5.7
123.04532	8.2
123.08145	52.3
123.58607	1.6
125.06068	3.6
127.23464	1.6
129.01907	2.5
137.06073	21.3
139.03986	2.0
141.05556	4.1
141.09268	2.6
142.03310	6.2
142.08678	2.0
149.06081	16.1
155.07118	30.0
166.88394	1.5
167.03453	3.8
167.07097	37.2
168.07555	1.7
169.04878	1.6
181.04971	2.1
185.04478	2.7
185.08200	9.1
188.09311	6.0
192.51677	1.8
198.89421	2.1
199.06082	10.0
211.06091	8.2
229.07117	100.0
230.01231	2.0
230.07573	1.8
232.57217	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	229.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.8
59.01365	1.2
66.93181	0.3
69.57935	0.7
69.58357	1.8
71.05006	1.0
85.02921	0.8
91.58939	0.4
93.03453	0.4
97.06583	0.6
107.80174	0.3
111.00888	0.7
115.65393	0.3
123.08131	0.3
125.09697	4.5
127.11281	4.5
137.06128	0.5
137.09729	0.4
155.14435	1.9
165.12831	0.8
167.14430	1.6
171.10207	0.6
183.13864	0.4
185.15495	0.5
209.11800	1.4
211.13347	3.3
229.14404	100.0
230.14720	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.78032	0.5
57.03430	0.9
69.56986	1.6
69.57401	2.0
70.41505	0.5
71.04996	0.7
83.05003	0.9
96.54592	0.5
97.06583	0.5
97.37212	0.5
98.19875	1.0
99.08136	0.9
112.15828	0.5
125.09687	2.0
127.11300	3.0
129.09180	2.4
140.63593	0.5
155.46416	0.5
162.10255	0.5
163.64224	0.5
167.14375	1.8
171.10236	3.1
183.13876	1.8
185.07196	0.7
193.12300	0.6
209.11845	3.0
211.13371	11.8
229.14407	100.0
230.14752	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	230.0125
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
53.10962	0.7
54.02232	0.7
59.01372	4.1
66.03503	1.2
69.87576	1.8
69.87992	2.1
71.01359	0.9
72.99274	1.0
73.01160	5.2
73.02942	0.8
73.04037	1.0
80.05057	1.3
82.02987	7.6
83.05042	0.9
96.04545	28.7
98.20489	1.2
98.99094	4.9
105.06340	0.7
105.27279	0.8
106.35799	0.9
107.08637	1.8
108.04546	27.1
111.08129	1.6
114.00183	80.4
114.05570	1.3
115.00488	1.8
124.08468	1.1
125.06089	1.2
126.09154	1.2
127.07623	3.7
130.08717	1.9
139.07655	12.9
142.03307	100.0
142.08736	0.9
143.03636	1.5
151.07640	1.3
157.08667	2.8
168.07460	1.3
169.08647	2.7
186.02278	36.5
187.02647	1.0
187.09511	1.1
187.10963	2.3
188.09232	3.8
189.07669	1.4
201.07626	2.9
213.07663	3.2
230.01247	88.8
230.07538	2.4
230.10121	5.2
231.01494	3.8
231.08655	16.4
231.10739	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	230.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08073	0.5
55.54142	0.5
58.02968	14.6
59.01373	33.0
61.53917	0.5
66.93016	0.5
71.32341	0.6
71.60853	0.5
71.61326	0.6
72.04536	0.7
72.99290	1.1
73.02921	1.4
82.02972	0.8
83.01387	0.7
85.54702	0.5
97.06567	0.6
98.02487	1.1
100.03999	0.6
100.07660	5.1
107.08666	0.7
110.06109	0.6
111.08149	1.3
114.00155	1.0
114.05541	0.7
114.09238	11.5
119.49909	0.5
126.09231	36.2
127.07648	2.0
127.09560	0.8
128.07172	2.2
130.08725	1.0
139.07622	9.8
142.03299	2.5
142.08713	24.3
146.08235	1.4
151.07603	1.1
157.08604	0.9
169.08655	1.0
170.08206	11.6
170.88274	0.7
184.09731	1.3
186.07941	0.5
186.11320	1.4
187.09656	1.4
187.11076	1.0
188.09259	100.0
189.07669	1.2
189.09579	2.8
201.07646	1.5
213.07686	1.8
230.01228	1.6
230.10312	8.6
230.15300	0.9
231.08690	10.6
231.10567	0.6
232.94148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.087
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
50.79064	1.1
50.84660	1.2
53.54948	1.1
55.06978	1.1
59.01372	3.5
68.76886	1.2
69.53690	2.9
69.54113	6.0
71.01384	1.2
71.05008	1.2
86.49262	1.1
95.08653	4.4
95.38117	1.0
107.08646	14.3
111.08147	11.7
121.06601	1.6
123.04520	1.7
125.09711	4.5
127.07638	2.6
139.07626	100.0
140.07927	3.6
151.07613	6.5
157.08688	14.0
169.08656	7.9
183.06583	2.2
187.09671	5.8
201.07640	18.7
213.07626	23.1
231.08687	72.1
232.08960	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	231.087
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
59.01386	4.6
59.79309	0.8
69.70766	4.5
71.04996	0.9
79.05526	1.7
79.14828	0.9
83.05020	1.3
85.02913	1.5
87.04507	1.3
90.12650	0.9
93.32691	1.0
95.08645	6.1
97.06583	1.5
107.08651	18.0
108.08998	1.1
108.92596	0.9
109.06563	1.1
111.00865	1.5
111.04533	1.0
111.08133	9.6
112.84729	0.9
114.87325	0.9
123.04511	1.2
125.09707	4.8
126.10067	0.8
127.07635	2.4
134.85068	1.1
139.07635	100.0
140.07974	3.2
141.05574	1.2
142.09514	1.0
151.07648	7.6
157.08694	12.8
169.08701	8.5
183.06580	2.0
187.09766	6.6
201.07651	21.2
213.07668	22.2
231.08690	73.3
232.08949	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	231.1023
Annotation	Drupanin
Peak:m/z	Relative Intensity
52.51712	3.9
59.01364	13.6
63.84792	3.5
64.65476	3.4
64.67451	3.0
69.03456	6.4
69.88510	17.2
72.99297	4.1
79.05521	69.6
80.02662	5.4
81.03439	6.8
83.05012	9.2
87.92511	7.6
91.05533	12.0
95.05022	10.6
99.04515	3.8
105.07095	5.9
107.05000	8.6
111.00858	5.1
129.07094	6.5
131.08667	20.1
143.08641	67.5
157.06564	17.6
157.10216	13.4
159.04529	4.1
159.11778	11.2
169.10249	32.9
170.88353	10.2
171.08138	21.2
172.08932	41.6
185.09724	16.7
187.03970	4.5
187.11267	100.0
228.85251	3.5
231.06592	8.7
231.10252	16.6
231.13867	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	231.1234
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
50.27598	0.3
59.01363	1.2
62.66494	0.3
64.40010	0.3
71.10381	0.4
72.99299	15.3
75.00861	58.4
76.01192	0.5
83.76115	0.3
141.69145	0.3
155.10788	0.8
159.10266	0.8
167.10709	1.3
169.12329	0.7
171.10265	1.9
174.65404	0.3
185.11838	0.3
196.62715	0.3
231.12329	100.0
232.12643	3.9
246.97015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61467	1.1
55.01869	1.5
57.03439	8.4
59.01371	100.0
60.54408	1.2
60.99277	1.2
67.01881	4.7
68.99814	1.6
70.46887	3.4
71.01374	32.7
71.05015	3.1
72.99308	3.1
73.02929	6.4
75.00859	6.9
83.01372	6.4
85.02461	1.4
85.02934	7.9
87.00871	2.9
92.90470	0.9
93.03441	9.8
96.96014	2.5
96.96944	2.4
96.99288	1.0
97.02963	1.4
99.00864	13.9
99.08132	1.7
101.02451	2.5
109.02939	1.2
111.00859	11.1
111.04496	2.7
111.08163	3.2
115.00358	2.9
115.04030	1.1
129.01044	1.7
129.01929	18.2
129.05576	1.2
129.09206	1.2
160.89268	1.4
171.10243	9.7
173.00906	3.0
173.04500	14.8
173.08159	21.8
215.09210	3.8
232.98749	1.2
233.06567	3.5
233.10260	27.2
233.12775	1.4
233.13260	1.5
233.15373	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.7
58.83717	1.3
59.01373	100.0
59.78930	1.3
60.99302	1.4
67.01877	5.6
67.20037	1.3
68.99816	1.7
70.02156	4.8
71.01376	31.1
71.01767	2.8
71.05017	9.2
72.99286	5.0
73.02943	8.3
75.00869	23.1
78.95933	1.8
81.03465	1.3
83.01373	5.9
83.04989	1.5
85.02940	9.9
87.00837	2.3
87.04495	1.5
93.03448	11.0
96.96040	1.7
96.96948	3.7
97.02892	2.0
98.19926	1.8
99.00854	13.7
99.04561	1.7
99.08177	6.8
101.02412	2.9
104.03552	3.3
109.06579	2.7
111.00862	13.3
111.04547	2.3
111.08146	10.1
115.00332	2.2
115.03983	2.1
125.09669	1.5
127.07638	2.1
129.01923	13.7
129.09216	4.6
135.08180	1.3
137.06010	1.4
143.05507	2.3
153.09166	2.7
155.07121	1.9
158.45432	1.3
171.10245	20.9
173.00908	2.8
173.04573	10.9
173.08163	63.3
174.08507	1.7
215.07521	1.3
215.09242	9.7
233.10266	81.4
233.15314	12.9
234.10651	3.2
234.15956	1.8
250.49979	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	233.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40531	0.4
57.03439	2.7
57.20765	0.6
59.01373	100.0
60.01706	0.6
60.99313	1.4
62.35748	0.5
66.74503	0.5
67.01892	3.6
68.99776	0.6
69.03447	1.2
71.01361	3.3
71.05012	7.4
71.60477	0.7
72.99296	0.9
73.91134	0.5
75.00868	1.3
79.95701	0.8
83.05034	0.8
85.02946	1.6
85.06584	0.5
87.00854	0.7
87.04514	0.7
93.03445	16.8
95.22505	0.5
96.95998	1.4
97.06570	1.0
99.00840	0.7
99.08146	9.1
101.06063	1.5
102.98574	0.5
109.06578	3.7
111.04516	2.8
111.08144	8.8
113.06097	0.7
115.03983	3.3
121.02943	0.9
122.03722	0.7
123.04523	5.1
127.07650	1.8
127.25217	0.6
129.09227	3.8
134.06184	0.7
135.04501	1.6
144.04524	1.1
146.03752	0.7
147.03328	0.6
149.05988	0.6
153.05548	7.5
153.09155	2.5
155.07137	3.5
160.04010	1.1
162.05513	1.1
169.08640	1.3
171.10254	21.8
172.03999	1.3
172.10588	0.7
173.04544	21.4
173.08162	66.1
174.08470	1.7
175.03993	0.9
175.06102	3.0
176.04733	1.6
177.05563	1.0
189.06686	0.7
203.03372	0.8
205.04942	1.5
215.00232	1.2
215.09207	10.3
233.01248	5.5
233.04784	3.2
233.06503	1.3
233.10254	53.9
233.15395	28.3
234.10675	1.6
234.15768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.9
59.96719	0.3
60.01722	0.3
60.97517	0.3
71.24443	0.3
71.24799	0.4
74.99059	7.2
74.99490	0.4
75.00855	0.4
91.02204	1.0
93.00141	1.3
93.03462	2.1
96.96008	0.3
118.96204	1.3
134.99377	6.0
136.97340	1.9
141.07428	0.4
143.05356	1.0
149.00940	63.2
150.00893	2.6
150.98819	0.4
159.08449	2.1
161.06380	3.1
172.88002	0.4
173.04544	1.8
197.54419	0.3
201.04024	0.3
215.05626	1.4
217.07176	87.2
218.07295	5.1
219.36975	0.3
233.10304	100.0
234.10464	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	235.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86550	0.7
59.01376	100.0
60.01716	1.2
64.99416	0.7
69.30924	2.1
69.31342	3.6
71.01392	0.9
85.02940	0.7
95.05029	1.2
98.19854	1.4
107.51437	0.6
114.34784	0.7
131.04906	0.6
136.67435	0.7
147.08115	1.1
148.05312	1.3
149.09796	1.0
163.11273	32.7
164.11624	0.7
175.11217	1.1
189.12773	1.0
191.07184	1.7
191.14400	16.9
217.12213	4.3
235.13359	45.5
236.13683	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	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35139	0.2
59.01374	0.3
61.98808	0.3
69.81406	0.6
69.81817	0.3
73.02930	0.2
73.21139	0.2
80.59002	0.2
83.83984	0.2
85.82833	0.2
96.95986	0.2
98.20530	0.2
118.88706	0.2
134.03732	0.3
135.04472	0.4
136.05298	0.5
144.16397	0.2
145.85286	0.2
148.05283	7.7
149.05873	0.5
149.09721	0.9
162.06844	0.4
175.07715	0.2
176.08382	0.6
177.09177	38.9
178.09512	2.1
180.07913	0.2
189.82790	0.2
190.09972	1.7
191.07222	0.2
191.10683	0.8
192.11525	29.1
193.11879	1.6
201.09129	0.5
203.07072	0.6
217.08667	3.1
218.09435	7.6
219.09782	0.6
224.10272	0.2
236.10486	100.0
237.10875	5.9
237.14925	0.5
250.17268	0.2
251.24950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45763	0.9
67.19015	0.9
70.24794	3.7
70.25150	1.0
74.50475	0.9
74.83354	0.9
85.02108	0.9
85.02940	2.5
87.00864	100.0
124.24815	0.8
125.48579	0.9
129.01932	12.3
166.91455	1.1
199.63197	1.1
237.06169	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	237.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
59.01369	3.4
67.61201	0.4
71.01376	5.7
71.60755	0.4
71.61158	0.4
71.82428	0.4
72.99302	3.7
73.02936	1.3
74.99083	4.0
75.00861	4.6
81.03464	1.2
83.01370	0.6
85.02946	5.9
87.00867	100.0
88.01206	1.3
89.02451	0.9
90.98602	1.2
97.02967	0.7
99.00880	1.6
101.02416	1.3
105.00153	1.4
105.03792	1.1
107.01711	0.7
111.00868	0.7
113.02406	0.7
115.00356	8.2
117.01904	0.6
120.99638	16.4
125.02407	4.0
129.01929	15.4
130.99867	1.2
143.03441	0.6
147.02965	1.8
149.00813	0.5
149.02730	3.2
159.03001	0.6
161.04607	0.6
177.03979	0.8
194.08220	0.5
205.03499	4.0
213.95816	0.4
218.02097	0.5
219.05098	0.5
237.00699	1.8
237.04179	2.9
237.06151	10.6
238.06709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1494
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03443	16.8
58.03769	0.5
59.01372	3.6
63.91461	0.5
69.30069	3.2
69.30497	1.5
71.01372	0.8
73.02924	1.0
83.05018	2.7
85.02927	0.8
85.06580	0.5
96.95978	0.5
97.06596	0.6
109.06547	1.3
113.02422	0.7
123.08124	0.7
135.11920	0.7
139.11275	0.7
149.09660	0.9
167.10760	2.0
177.04079	0.6
177.12857	0.9
179.10751	3.8
193.12355	0.6
193.15973	2.4
195.13899	3.9
199.20909	0.5
205.01750	0.6
219.13840	0.6
237.14923	100.0
238.15215	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	237.1493
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
57.03438	1.9
59.01373	13.6
64.48513	0.5
65.77442	0.5
69.23185	5.1
71.01385	0.8
71.23113	0.5
73.02949	0.8
75.00892	0.6
78.28033	0.5
80.79551	0.5
81.47478	0.5
83.05045	0.8
85.02953	0.7
85.06594	0.8
96.66219	0.5
97.06580	10.0
113.09715	11.8
117.45069	0.5
127.88506	0.5
129.01956	0.9
139.11273	100.0
140.11613	3.3
151.11252	0.6
155.81694	0.5
165.12849	2.2
179.10738	1.3
186.61012	0.5
193.08636	0.6
193.15945	25.8
194.16331	0.8
219.14073	0.5
237.07625	0.7
237.11391	1.0
237.14941	5.4
249.02356	0.6
253.89961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57744	0.3
53.85524	0.3
59.01375	5.4
63.23984	0.3
68.30067	0.4
70.71383	0.8
71.01423	0.5
72.99306	3.4
79.78266	0.3
85.02946	1.0
87.00861	1.0
87.27544	0.4
89.03952	0.4
91.05533	0.5
103.57304	0.3
107.05027	2.8
109.02966	0.5
117.03440	0.5
123.04495	2.4
131.03485	0.4
134.03738	6.2
135.04512	100.0
136.04845	2.8
151.00748	0.5
159.04530	0.6
161.04469	0.6
165.05518	0.7
177.05576	1.3
179.03491	11.6
179.05595	3.5
197.04530	4.0
214.98228	0.4
221.04730	0.6
221.06714	1.3
239.05611	0.8
239.07739	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	239.0922
Annotation	CMPF
Peak:m/z	Relative Intensity
53.01848	0.6
54.33461	0.7
59.01372	100.0
60.01726	0.8
69.71394	4.1
69.71770	1.5
81.03448	2.6
95.05021	2.5
97.06581	3.3
109.06570	3.6
135.08147	2.4
141.05556	11.5
151.11267	2.9
172.16624	0.7
177.09125	4.4
179.07115	1.1
195.10234	57.2
196.10606	2.3
216.67769	0.8
221.08221	1.9
239.09206	52.2
240.09509	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	239.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03334	2.2
59.01376	100.0
71.01377	4.1
71.60921	2.6
73.02927	3.3
83.01379	3.5
85.02946	4.0
87.00883	12.5
99.00873	6.1
101.02427	11.7
117.01901	3.1
122.03710	3.9
135.04553	2.6
137.02405	2.5
137.06065	9.3
141.05525	3.3
141.42747	2.2
145.03319	2.3
150.03218	56.8
151.00378	3.8
161.04485	12.4
165.05484	11.1
179.04082	4.2
179.05594	62.9
180.04233	6.1
184.31787	2.2
195.10233	14.0
209.04506	22.7
239.05577	23.5
239.09103	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	239.1285
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.57846	0.4
51.50410	0.6
51.57489	0.5
52.73396	0.4
59.01376	12.5
65.37019	0.5
69.58621	3.3
71.01379	0.9
71.48582	0.4
83.05045	0.6
85.02918	0.6
87.00856	1.9
87.16721	0.5
97.02956	0.6
161.04541	2.0
177.12865	2.5
179.05573	8.4
195.13882	100.0
196.14247	4.5
203.10670	0.6
239.12862	14.9
240.13145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0714
Annotation	Gardenogenin A
Peak:m/z	Relative Intensity
51.43520	0.8
56.36809	0.8
60.81900	0.8
60.84856	0.9
67.01882	46.5
68.99805	34.9
69.03441	7.9
71.18807	2.2
78.26759	0.8
95.01374	1.8
95.05014	99.5
96.05362	3.0
96.73294	0.7
99.04490	1.7
101.02428	65.0
102.02779	1.2
106.44406	0.9
109.81437	1.0
111.00865	29.3
111.04494	2.3
112.01662	1.5
118.98797	0.8
121.02126	1.4
121.02946	21.7
121.51952	0.9
123.04511	6.6
127.03996	100.0
128.04318	2.6
137.06042	1.3
139.00351	75.5
139.03986	18.0
140.00662	2.3
140.04366	1.1
147.04443	2.0
149.02444	1.4
165.05569	7.1
167.26434	0.9
171.03008	2.6
181.05000	0.9
209.04564	1.2
241.07120	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	241.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07901	0.8
59.01357	1.3
67.01883	31.2
68.99810	36.7
69.03451	6.6
95.01372	2.0
95.05016	100.0
96.05351	2.5
99.04514	1.4
101.02430	59.4
102.02784	1.0
111.00137	1.5
111.00871	27.8
111.04469	1.1
112.01698	0.9
121.02934	18.2
123.04520	5.9
125.02406	1.1
126.71529	0.8
127.03996	69.0
128.04369	1.5
139.00359	62.1
139.03999	16.9
140.00644	2.4
147.04523	2.1
149.02426	1.3
157.19310	0.8
165.05516	5.3
171.02908	2.1
181.07127	1.2
187.63414	1.0
208.98296	0.9
241.07191	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	241.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06896	1.2
52.67351	1.1
67.01881	52.3
67.64241	0.9
68.99809	36.9
69.03449	6.6
91.29127	1.2
95.05016	93.7
96.05362	2.2
99.04516	1.3
101.02431	61.4
102.02749	1.5
103.95290	1.0
111.00863	30.1
111.04488	1.4
112.01659	2.7
120.40285	1.2
121.02943	23.4
123.04529	5.3
127.03999	100.0
128.04349	1.5
135.96141	1.0
139.00357	67.5
139.03989	20.0
145.53749	1.2
147.04515	2.0
149.02493	1.3
165.05577	7.5
171.02980	2.3
209.04549	1.5
241.07130	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	241.0714
Annotation	Genipinic acid
Peak:m/z	Relative Intensity
55.01908	0.7
63.50051	0.6
67.01853	3.4
68.99807	62.1
69.03464	0.8
69.26403	7.0
71.01366	1.1
81.03446	2.0
83.01366	1.2
83.05016	2.2
91.06113	0.7
95.05013	5.1
97.20380	0.7
99.04530	1.3
101.02431	100.0
102.02753	1.3
107.05011	1.3
108.02168	1.5
109.02951	2.9
109.06596	1.0
111.00863	4.1
111.04510	4.5
115.04005	4.6
119.05003	2.0
121.02910	4.5
121.06574	3.0
122.03722	1.4
123.04490	1.2
125.02425	0.8
127.04005	4.3
135.04510	1.9
137.06062	8.3
139.00351	3.3
139.03996	1.7
147.04504	1.3
151.07649	1.2
165.05536	37.6
166.05873	0.9
168.04295	0.8
179.07050	0.8
197.08118	2.7
209.04402	0.8
224.90225	0.7
241.07135	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	241.1079
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03434	6.1
59.01372	100.0
66.51625	1.2
67.01869	2.5
68.99794	4.5
69.98871	6.3
71.05008	1.3
72.51777	1.5
73.02940	35.7
83.05006	2.2
89.02480	1.8
93.03439	2.2
95.05025	7.1
97.06614	1.8
99.04510	3.8
101.01858	1.3
101.02413	7.3
111.00874	2.7
119.08629	4.4
121.02884	2.3
122.03593	1.3
123.08136	10.9
127.03983	6.5
135.08070	1.3
137.09669	6.2
139.00348	5.7
163.07571	2.1
167.07104	3.3
179.10765	6.6
181.07153	6.2
181.08684	19.1
197.11797	49.3
198.12152	2.1
223.09692	5.6
235.48941	1.4
241.10802	39.7
241.14482	2.3
242.11116	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	241.1078
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
56.74215	0.7
59.01373	15.4
60.99302	0.7
62.25465	0.9
67.01896	2.2
68.99814	1.9
69.03459	0.9
69.52567	4.8
72.99314	0.9
83.05048	0.6
89.40221	0.7
95.05006	4.8
97.06573	1.4
101.02442	2.5
102.52649	0.6
103.88099	0.7
107.08652	3.7
108.55782	0.6
111.00871	1.1
114.90623	0.7
121.02946	0.8
127.03974	3.4
139.00349	2.7
139.04002	1.1
151.11208	1.0
153.12868	1.5
179.10771	8.2
181.07239	0.8
181.08682	2.8
195.10295	4.4
197.11798	100.0
198.12137	3.7
199.09714	19.1
241.10776	33.0
241.95119	0.7
242.11072	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	241.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48447	0.8
52.98584	0.6
59.01371	15.5
67.01876	1.5
68.99804	1.0
70.02008	3.5
95.05021	4.0
97.06556	1.1
101.02434	1.6
104.96423	0.7
107.08643	2.6
111.00844	1.4
121.02901	0.9
127.03998	2.1
139.00359	2.3
139.03957	0.7
151.11272	1.7
153.12796	1.3
161.12457	0.7
179.10757	8.0
181.07288	0.8
181.08615	3.4
195.10239	3.7
197.11800	100.0
198.12115	4.9
199.09717	17.4
241.10777	27.4
242.11053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1806
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
57.03420	0.3
59.01360	1.2
61.98806	1.0
67.01881	1.8
68.99814	2.4
69.03446	0.6
69.48080	0.3
70.51622	0.3
70.51967	0.9
75.87553	0.3
95.05010	4.6
96.61734	0.3
101.02435	4.8
107.85271	0.3
108.74486	0.3
111.00824	1.2
121.02938	1.4
121.17875	0.3
127.03999	4.5
139.00354	3.3
139.03984	0.9
165.05482	0.7
181.07169	1.4
185.11816	0.6
197.15479	0.4
211.16998	18.4
212.17281	1.1
223.16997	12.0
224.17329	0.5
239.16531	0.7
241.18050	100.0
242.18431	5.3
261.09973	0.3
261.25555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98803	1.7
63.70628	0.6
71.61092	0.5
82.06612	1.8
83.05000	0.6
85.06570	0.9
95.04984	0.8
96.05328	0.8
100.07650	0.6
101.02437	0.7
110.96441	0.5
111.08134	0.5
137.02409	0.6
160.39191	0.5
170.14073	0.8
170.15477	12.1
171.15851	0.7
198.14958	100.0
199.15268	5.3
225.08795	0.5
225.14922	0.7
226.02600	1.1
242.13896	4.9
242.17584	1.1
243.06451	0.6
247.08432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01372	5.1
61.98813	4.5
66.03478	11.6
67.55067	0.8
68.01408	2.6
70.02988	0.9
70.33282	3.4
71.01367	2.1
77.83570	1.1
82.02974	26.7
82.82692	0.8
83.01389	1.5
85.02966	1.3
87.00859	3.0
90.99040	0.8
94.02966	2.9
95.52555	0.8
96.04527	2.0
97.02924	0.9
99.00888	2.0
101.02453	1.1
104.33485	0.8
108.04527	2.5
110.02467	100.0
111.01996	7.6
111.02785	1.7
112.98812	3.1
113.07986	1.0
115.00282	1.0
117.01919	1.6
122.02490	7.9
124.04031	3.6
129.01849	1.1
129.10323	1.0
132.03003	1.3
134.00040	1.0
140.03508	11.1
142.99863	3.8
152.03523	16.1
153.03015	9.5
157.03598	0.9
165.01767	1.2
173.00859	4.4
173.94899	0.8
183.01477	3.3
195.06645	1.7
200.05618	40.7
201.05934	1.6
205.03587	1.9
210.98242	1.3
219.55862	0.8
225.89055	0.8
226.12059	1.1
243.06224	34.6
244.06436	1.2
244.13106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
61.98828	0.9
65.03965	0.8
67.01881	46.8
68.02225	0.7
69.03457	0.4
71.61189	0.3
73.02937	1.7
80.24669	0.2
91.05554	0.3
93.03445	13.1
94.03784	0.4
99.04504	45.3
100.04859	0.8
107.05021	0.8
110.02505	0.4
110.03690	0.6
110.19361	0.2
111.00867	32.3
112.01206	0.6
125.06067	10.0
135.04506	4.1
137.02425	100.0
138.02766	2.4
141.07135	0.2
151.03990	0.4
167.07097	5.0
179.03476	5.9
179.41911	0.3
199.09711	3.0
211.06071	2.3
211.13370	2.7
225.11264	0.3
243.06514	0.6
243.08682	0.6
243.12358	0.8
243.15871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1234
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03438	4.9
59.01373	91.4
61.98817	2.6
71.01383	1.2
71.05016	6.4
71.60371	1.1
72.20043	0.8
81.03468	1.2
85.02938	2.4
87.04506	29.6
87.05048	1.6
95.05016	16.8
95.47126	0.8
97.02947	1.2
97.06578	3.8
99.04485	1.3
107.04979	1.6
109.06575	3.3
111.08109	1.7
121.06583	1.5
123.08148	5.5
132.37523	0.9
141.09288	1.1
141.67049	0.9
163.11232	5.6
165.09174	3.4
181.12321	2.1
181.20221	0.8
183.10190	2.6
199.13431	2.6
243.12331	100.0
244.12653	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	243.1232
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
57.03431	2.4
58.60883	0.9
59.01372	68.3
61.98806	1.1
67.01853	1.0
69.03448	1.6
70.07026	3.7
71.05000	1.1
72.99300	10.3
73.02946	1.6
83.04984	0.9
85.02955	0.9
85.06573	2.1
93.03432	0.9
95.04982	0.9
107.08659	2.8
109.10226	1.6
121.10249	1.2
125.09724	1.6
137.02423	2.4
139.11272	11.8
144.51807	0.9
155.10767	2.9
165.09129	1.0
167.71550	1.0
181.12328	4.9
183.10236	76.7
184.10567	4.3
199.13380	5.1
201.11290	100.0
202.11609	3.8
223.58412	0.8
225.11217	4.5
243.12321	33.2
244.12660	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	243.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52491	1.7
57.03417	2.0
59.01373	49.4
69.58232	9.2
69.58632	3.7
73.02911	3.4
78.18645	1.5
91.49979	1.9
102.44083	1.6
139.11264	34.4
181.12283	18.9
183.10225	49.2
199.13400	19.2
225.11304	19.2
243.12329	100.0
244.12672	6.0
247.09454	1.7
259.62198	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	245.0431
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
59.01373	90.1
61.98820	14.7
63.60575	5.2
67.13033	4.6
69.03452	46.8
71.01370	36.1
72.99287	9.8
73.02937	6.4
78.95894	98.6
81.03487	4.9
83.01376	8.1
83.02464	4.1
85.02938	9.0
86.02470	10.6
87.00879	5.4
87.05661	4.5
87.75905	3.7
89.02433	37.6
95.05021	14.1
96.04535	12.5
96.96948	13.0
97.02929	6.0
97.06591	7.7
98.02473	4.7
99.00883	7.5
99.05621	6.5
100.14429	4.2
101.02431	74.5
105.77689	4.1
109.06579	5.6
111.08205	3.9
112.04051	15.2
112.98788	5.7
113.02443	15.2
114.05648	4.7
115.05108	25.5
116.07179	6.5
117.06695	73.9
119.03492	100.0
121.06589	6.6
123.04523	8.4
127.07652	8.5
129.10312	7.5
130.08655	7.5
131.03493	4.9
139.03946	6.5
139.07683	22.6
143.03474	5.3
152.99556	78.0
157.05031	15.0
165.05515	5.9
171.00600	28.4
183.06425	11.3
183.07942	20.6
199.07193	76.1
201.07365	8.3
201.08928	11.3
209.06606	28.2
227.05569	25.6
243.54219	4.0
245.04225	96.6
245.07661	70.7
245.10507	7.8
245.11499	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	245.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22591	0.4
59.01373	40.4
71.60934	0.4
71.61346	0.5
72.08802	0.4
78.95898	0.8
104.72905	0.4
127.11292	4.1
136.18095	0.4
139.11252	1.6
154.22534	0.5
155.10760	1.8
157.12317	18.3
185.11800	15.7
203.12848	100.0
204.13156	3.7
245.13942	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	247.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01744	0.9
57.03444	1.2
57.51012	0.9
58.02978	1.4
59.01371	14.6
63.91614	0.9
65.03933	1.1
68.82478	1.0
69.03455	2.9
69.71795	4.9
69.72206	1.7
71.01363	3.5
71.04996	1.0
72.99294	1.5
73.02917	2.0
80.23249	0.9
80.96507	1.5
81.03437	1.9
81.07090	3.6
83.05000	2.8
85.02944	2.8
87.04512	2.3
89.02455	3.1
90.39646	1.2
93.07088	2.8
95.05005	2.1
97.06586	3.2
99.04488	2.2
99.08149	2.7
101.02445	3.3
109.06565	1.1
111.00871	2.8
111.04481	3.1
111.08150	26.2
113.02438	3.4
113.06052	2.3
118.03318	1.7
119.03474	4.1
123.04530	3.0
123.08139	4.6
125.02414	1.2
125.06072	55.6
126.06400	1.1
137.06070	3.1
143.07104	4.4
144.95459	1.1
155.07129	100.0
156.07463	2.5
157.01367	2.2
167.07123	1.5
173.04500	1.0
173.08163	4.0
185.08141	1.1
187.06230	1.5
192.85927	1.0
196.93135	1.0
199.06129	1.8
203.09253	3.3
209.06656	1.6
217.07143	17.0
229.07132	6.3
247.04642	5.3
247.08208	70.6
248.08492	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	247.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18595	0.9
57.03428	2.7
59.01371	14.6
60.99345	1.5
62.19383	1.0
65.03945	1.4
67.01868	1.2
69.03446	3.2
69.67401	0.9
71.01366	4.9
71.05030	1.3
71.60034	1.8
71.60393	1.3
72.99310	6.1
73.02943	2.7
74.99096	1.4
78.95903	4.4
80.96500	1.9
81.07100	4.1
83.05022	4.3
84.02178	1.1
85.02936	5.8
85.97799	1.3
87.00874	3.0
87.04529	2.2
89.02437	2.6
93.03455	2.1
93.07069	3.3
95.01392	1.1
95.05013	3.6
96.95962	1.6
96.96955	4.5
97.02946	1.0
97.06575	3.2
99.00889	1.8
99.04524	1.6
99.08141	3.7
101.02438	2.8
105.07059	1.5
109.06590	2.7
111.00868	3.8
111.04501	1.4
111.08147	32.7
113.02483	1.8
113.06055	3.0
115.02242	1.8
115.14477	0.9
117.00145	1.7
117.03780	1.8
119.03485	3.5
120.99658	3.8
123.04476	2.1
123.08157	8.4
125.02434	3.8
125.06072	67.5
126.06402	1.9
127.04028	1.2
137.06056	3.7
139.03981	1.3
141.05507	1.7
143.07091	5.6
149.04538	8.3
155.00084	1.2
155.07130	100.0
156.07437	3.4
157.01343	1.3
159.01195	1.2
167.07133	1.9
173.04507	1.8
173.08168	3.3
178.44963	1.2
185.08241	1.8
186.95625	1.7
187.06117	2.7
199.06117	1.9
203.09209	3.3
209.06721	1.3
217.07129	15.7
229.07083	7.9
247.04408	4.5
247.08195	77.2
248.08493	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0972
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
59.01382	12.9
69.03436	1.9
69.69152	6.8
69.69566	2.1
79.05527	9.5
87.97361	1.4
91.51831	1.8
97.02946	9.8
97.03455	1.7
99.04491	2.1
105.07057	1.6
111.04493	3.4
129.07082	11.4
133.10190	2.2
134.68597	1.6
143.08638	9.2
157.10201	4.2
159.11777	100.0
160.12109	5.4
185.09581	1.9
186.95589	2.4
198.98595	1.5
203.10750	52.3
204.11031	3.1
247.09676	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	247.0971
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.11659	1.0
56.89761	0.8
59.01091	1.3
59.01373	18.1
59.98505	1.0
69.27011	1.0
69.59077	4.3
69.59489	2.6
79.05520	16.0
81.71753	1.0
91.05515	2.0
93.07068	1.7
97.02955	6.1
99.04485	2.1
105.07075	1.8
111.04527	5.1
129.07077	11.8
131.08630	1.2
133.10236	2.3
142.07838	2.2
143.08646	15.9
157.10179	6.2
159.11774	100.0
160.12108	4.2
162.78445	1.0
170.07233	1.2
175.07469	1.4
185.09633	2.7
190.98721	1.0
203.10745	42.9
204.11092	2.4
247.09740	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	247.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68002	2.7
59.01374	30.5
71.01374	3.8
75.87221	2.6
75.87755	2.4
79.05533	16.8
81.53944	3.3
97.02930	11.0
98.20661	4.1
111.04504	5.7
129.07095	9.2
134.70998	2.6
143.08644	12.6
157.10239	6.2
159.11775	100.0
160.12141	4.3
185.09671	2.9
186.95616	7.4
203.10759	54.9
229.12834	2.7
247.09721	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	247.1699
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.49699	0.2
54.87427	0.1
55.94761	0.2
59.01366	1.5
69.24826	1.6
71.01368	0.7
74.70769	0.1
89.02414	0.2
92.31641	0.2
103.03990	0.3
108.89365	0.1
139.10948	0.2
143.14352	0.2
174.99240	0.3
184.00165	0.6
186.95628	0.9
203.10754	0.3
205.15904	0.2
220.16893	0.8
231.13837	0.3
247.16988	100.0
248.07948	1.0
248.17328	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	249.1127
Annotation	Hyperolactone A
Peak:m/z	Relative Intensity
59.01361	2.5
61.76724	1.1
65.03955	1.4
69.03445	2.9
71.33096	1.3
81.07094	11.5
83.05024	2.0
91.05520	1.3
93.07072	1.7
98.20647	2.4
99.04496	16.5
105.07082	2.5
107.05007	1.6
131.53922	1.3
159.11818	1.7
159.95656	1.4
161.13332	55.5
162.13689	2.7
179.96849	1.2
180.02553	1.2
187.11261	3.6
189.94124	1.3
204.04250	1.6
205.12300	100.0
206.12642	5.8
231.10220	1.8
249.11290	27.5
250.11597	1.9
269.77835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65945	0.6
59.01356	1.5
59.98504	0.8
69.24013	4.1
69.24438	1.9
71.10877	0.6
72.79581	0.6
76.65411	0.6
79.05507	1.7
81.07087	6.8
83.05016	1.7
99.04509	10.7
105.07078	2.0
105.22004	0.6
107.36983	0.6
113.06036	0.7
125.06128	0.7
150.06198	0.6
161.13336	32.6
162.13651	1.3
187.11252	2.5
204.04271	1.1
205.12296	100.0
206.12645	5.3
249.07475	1.0
249.11270	24.9
250.11734	1.1
250.14401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43081	1.6
69.45587	9.9
77.35754	1.7
78.51204	1.7
79.24061	1.4
81.07094	7.0
98.20576	2.7
99.04502	11.1
105.07091	1.7
126.74599	1.6
161.13344	33.9
174.32190	1.4
187.11217	1.9
205.12292	100.0
206.12653	5.1
229.40207	1.5
249.11229	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1129
Annotation	Hyperolactone A
Peak:m/z	Relative Intensity
50.62388	1.6
52.95621	1.6
59.01367	2.1
65.90683	1.8
69.44389	14.3
79.05520	3.5
81.07104	11.2
84.99359	1.6
88.48039	1.8
99.04513	18.9
105.07057	2.6
161.11948	2.9
161.13329	57.3
162.13568	2.4
204.68750	1.7
205.12302	100.0
206.12726	3.8
249.11278	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46067	4.1
58.93031	4.7
61.31857	3.8
61.70750	3.8
63.84658	4.0
74.82103	4.9
81.07084	9.0
99.04510	8.8
161.13326	47.3
164.57892	5.1
188.38454	4.5
205.12302	100.0
230.68109	4.8
252.09880	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	249.1493
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
52.15175	1.7
59.01369	19.0
61.98819	7.0
64.32876	1.8
69.03449	30.8
71.01371	2.0
83.05030	2.8
85.02954	2.6
85.11089	2.1
95.05000	3.9
97.06615	2.8
121.02928	3.4
147.04510	2.4
149.13422	1.9
151.11263	1.9
167.10690	2.2
177.01770	2.0
177.12924	1.9
187.14943	4.0
193.12308	7.6
204.04239	18.5
205.12305	10.8
205.15820	8.5
219.06598	10.1
221.15404	17.1
231.13893	30.0
249.07698	7.4
249.14932	100.0
250.14439	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	249.1856
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01381	3.8
66.79432	0.3
68.99554	0.5
69.60126	0.9
69.60541	1.6
71.01365	0.4
92.43126	0.4
98.20660	0.7
112.98566	1.2
121.02929	0.4
123.49265	0.4
154.97382	0.9
161.02438	0.5
204.04202	1.9
205.12231	0.4
205.15962	0.7
205.19615	0.8
219.06621	1.2
222.60390	0.4
231.17522	0.8
247.17006	0.5
248.97409	0.4
249.07710	1.1
249.18553	100.0
250.14470	10.1
250.18829	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	251.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.6
69.56151	2.3
69.56577	1.8
72.99303	4.8
75.00883	3.4
87.00866	15.2
93.03468	1.2
95.96600	0.6
101.22707	0.7
105.01921	95.6
106.02255	1.0
106.99592	0.8
117.03450	3.7
119.05015	68.8
120.05351	2.1
133.02835	0.9
135.04495	1.7
145.02943	14.4
145.04076	1.0
147.04486	0.7
161.02414	1.8
163.03987	100.0
164.04353	3.2
179.03535	1.4
191.03517	1.0
224.98842	0.7
251.06355	2.2
251.09155	0.8
251.56766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55932	1.1
53.55620	1.0
55.01868	8.5
57.03449	7.3
58.00564	3.7
58.99592	2.3
59.01374	87.9
67.33369	1.0
69.03432	1.5
71.01375	97.4
71.61089	1.2
72.99305	6.8
73.01151	2.4
73.02939	32.4
74.99100	1.4
75.00858	2.9
80.67331	1.0
82.02973	2.9
83.01376	18.1
85.02944	48.7
87.00864	8.7
87.04525	1.3
89.02433	27.5
89.06133	1.0
95.01395	8.0
97.02944	2.8
99.00874	13.4
99.04549	1.3
100.03529	1.2
101.02435	100.0
102.02789	1.6
103.02222	2.0
103.04008	2.1
111.00875	2.1
113.02438	44.2
119.03484	9.8
120.99654	6.2
121.03293	10.9
122.38068	1.0
122.44746	1.2
125.02420	2.1
129.01913	3.2
135.04489	3.2
143.03465	4.7
159.02994	9.8
161.04533	45.9
163.04285	7.9
167.08130	1.7
179.03455	1.3
191.03856	1.3
191.05565	3.6
207.06514	1.7
209.04675	2.3
251.05841	8.7
251.11359	33.3
252.08633	1.8
252.11650	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	251.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55932	1.1
53.55620	1.0
55.01868	8.5
57.03449	7.3
58.00564	3.7
58.99592	2.3
59.01374	87.9
67.33369	1.0
69.03432	1.5
71.01375	97.4
71.61089	1.2
72.99305	6.8
73.01151	2.4
73.02939	32.4
74.99100	1.4
75.00858	2.9
80.67331	1.0
82.02973	2.9
83.01376	18.1
85.02944	48.7
87.00864	8.7
87.04525	1.3
89.02433	27.5
89.06133	1.0
95.01395	8.0
97.02944	2.8
99.00874	13.4
99.04549	1.3
100.03529	1.2
101.02435	100.0
102.02789	1.6
103.02222	2.0
103.04008	2.1
111.00875	2.1
113.02438	44.2
119.03484	9.8
120.99654	6.2
121.03293	10.9
122.38068	1.0
122.44746	1.2
125.02420	2.1
129.01913	3.2
135.04489	3.2
143.03465	4.7
159.02994	9.8
161.04533	45.9
163.04285	7.9
167.08130	1.7
179.03455	1.3
191.03856	1.3
191.05565	3.6
207.06514	1.7
209.04675	2.3
251.05841	8.7
251.11359	33.3
252.08633	1.8
252.11650	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	251.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09797	0.8
55.01867	7.2
56.72702	0.8
57.03440	5.1
58.00577	4.4
58.99594	2.8
59.01372	77.6
59.02855	0.9
69.03449	1.3
71.01374	100.0
72.01720	1.3
72.99299	6.2
73.01175	1.5
73.02939	35.1
75.00871	3.6
82.02974	1.3
83.01373	17.5
85.02940	49.9
87.00860	7.6
87.04485	1.6
88.04025	1.1
89.02433	28.0
95.01367	6.9
97.02948	3.2
99.00871	13.3
100.04030	1.7
101.02428	99.1
102.02783	1.7
103.02225	1.3
103.03996	1.3
105.50512	1.0
111.00848	1.4
113.02434	40.3
119.03497	8.2
120.03754	0.9
120.99644	5.6
121.03266	7.3
125.02454	1.5
128.11815	0.9
129.01909	3.5
131.03458	2.0
135.04506	1.4
141.01904	1.1
143.03482	5.7
159.02977	11.5
161.02420	2.0
161.04541	45.6
162.04825	1.3
163.04276	6.7
179.03426	1.5
189.05591	1.2
191.05605	4.0
205.03400	1.1
209.04858	1.2
251.05751	8.5
251.11319	37.7
252.08861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1284
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
50.04620	1.6
50.36961	1.6
51.42126	1.5
51.53792	1.5
59.01361	5.4
69.34811	1.5
71.37444	2.5
71.37791	1.8
80.02667	10.0
99.04517	5.4
109.47638	1.6
163.14891	2.8
181.88106	1.6
189.12816	38.5
190.13109	2.5
207.13882	19.1
208.14197	3.0
233.11790	27.8
234.12112	2.8
251.12839	100.0
252.13162	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	251.2013
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01354	1.7
70.34261	0.9
70.34624	0.7
72.73528	0.4
105.15400	0.4
235.45976	0.4
251.20114	100.0
252.20433	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	253.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08108	1.0
56.42475	0.9
59.01373	84.0
65.28805	1.0
70.88644	2.1
71.01369	3.0
72.99297	6.2
78.95898	2.4
85.02940	1.0
87.00887	0.9
89.02422	1.3
98.30141	0.9
101.02428	2.6
113.33658	1.0
117.03452	3.6
134.03726	100.0
135.04066	2.8
149.06061	31.6
150.03189	10.2
150.06419	1.2
151.56638	0.9
161.04524	3.1
165.05568	11.3
178.02708	5.2
187.29977	1.2
193.05051	49.9
193.07072	7.5
194.05316	2.7
211.06091	70.9
212.06406	3.5
247.38293	1.0
253.06891	1.3
253.09142	1.3
253.21727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0925
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
50.44310	0.5
55.01869	0.8
59.01373	100.0
60.01705	1.5
61.98822	1.4
71.01362	7.2
71.59881	0.7
72.99277	1.3
73.02944	1.3
74.80685	0.7
74.99119	1.0
76.56509	0.6
78.95942	0.7
82.33382	0.5
83.01392	1.0
84.57146	0.6
85.02963	2.0
87.00856	1.6
89.02446	4.9
93.79356	0.6
97.14886	0.6
98.02454	2.8
101.02435	6.6
103.02293	0.7
113.02458	2.5
119.03487	1.7
120.99629	0.8
121.03278	0.6
123.04548	0.8
160.67757	0.5
161.04587	2.8
165.02243	0.7
179.66495	0.6
193.07156	7.0
194.07381	0.7
253.03696	0.9
253.09377	8.8
255.00833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1076
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
50.79330	0.8
54.16497	0.7
57.03436	1.6
59.01371	100.0
59.11283	0.7
62.76845	0.8
64.05121	0.9
66.80059	0.8
67.01878	1.9
69.03439	3.6
69.71171	3.9
69.71580	1.6
71.01364	4.5
81.03430	0.8
83.01355	5.3
83.05009	1.8
85.02942	3.3
87.04510	0.9
89.02431	1.3
92.92416	0.9
93.03448	10.9
95.01368	18.0
95.05008	1.2
96.02170	1.8
101.02441	2.2
109.02937	12.2
111.04503	4.2
113.02434	8.8
122.03722	2.5
137.02422	26.4
138.02783	0.9
139.07628	1.4
140.01118	2.1
155.03485	1.4
161.04543	0.9
163.11249	2.5
165.09171	1.7
181.08673	15.6
182.09007	1.4
191.10762	4.1
193.07124	8.4
235.09766	2.6
253.10777	72.4
254.11150	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	253.2169
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01374	3.5
69.68894	1.2
69.69296	0.9
76.19791	0.3
90.10238	0.3
95.63749	0.4
98.19878	0.7
104.34010	0.3
140.62970	0.4
177.27499	0.3
193.07022	0.3
197.17511	0.3
253.21684	100.0
254.22020	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	255.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.49778	0.5
58.02944	0.6
58.47217	0.5
59.01356	1.0
67.02987	1.9
70.02962	0.7
71.01369	1.7
71.59663	0.4
72.04548	0.5
72.99293	2.1
73.02917	0.7
74.99068	0.6
75.00856	1.6
81.16195	0.5
82.02973	4.9
83.01375	6.2
84.04527	1.2
87.00854	1.9
89.00657	2.1
96.04572	0.9
98.02464	14.4
99.00854	1.4
101.00658	1.1
104.03487	1.4
107.02493	3.2
109.04056	16.0
110.02471	0.7
112.04028	6.9
122.06114	6.9
124.04020	1.8
124.07661	1.5
126.01916	0.7
127.05119	100.0
128.03525	4.1
128.05466	1.3
131.01726	0.9
138.01956	14.0
148.03999	1.2
149.02760	2.8
150.05566	1.4
162.57991	0.5
165.06673	10.0
166.05072	15.1
167.03833	8.2
167.05264	0.9
167.08252	1.7
168.04353	0.5
168.06618	1.5
181.48817	0.5
183.07712	11.8
193.06158	6.1
209.05638	11.9
211.07198	8.5
227.06685	9.6
237.05086	2.1
255.06178	51.6
255.23279	1.7
256.06500	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	255.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29866	0.6
52.01876	0.6
59.01367	1.1
61.98804	1.3
65.43398	0.7
67.03011	2.2
69.75679	1.4
69.76098	2.7
70.02968	1.0
71.01376	1.3
72.00908	0.8
72.04525	0.8
72.99287	1.2
78.95865	0.7
82.02974	6.3
83.01374	7.0
83.53908	0.6
84.04530	0.8
87.00848	0.7
89.00648	0.7
96.04521	0.9
96.96062	0.7
98.02466	15.9
99.00896	1.7
99.02866	0.7
104.03533	2.1
107.02509	2.7
109.04068	17.4
110.02443	1.1
110.04449	0.6
112.04036	8.1
122.06094	7.2
123.04523	1.1
124.03998	2.7
124.07653	1.7
127.05122	100.0
127.08769	1.5
128.03542	5.0
128.05496	2.5
137.39227	0.6
138.01962	13.9
148.04004	1.8
150.05569	1.0
152.91750	4.7
165.06667	10.7
166.05061	14.2
167.03777	1.6
167.08167	0.9
168.06647	2.0
168.99889	1.0
181.81209	0.8
183.07729	11.2
193.06137	6.1
194.92761	7.3
194.94324	0.8
209.05664	16.0
211.07242	9.8
211.10776	1.5
227.06711	9.1
228.06998	0.7
237.05046	2.0
255.06198	59.0
255.23227	9.3
256.06506	2.5
256.23618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44772	1.4
52.55214	1.2
58.54718	1.2
59.01368	4.7
59.28029	1.4
63.50579	1.3
65.03955	1.8
67.01550	1.5
67.01885	19.4
67.49229	1.2
68.99807	24.0
69.03451	62.1
71.01369	4.0
71.62553	2.5
91.05514	5.2
93.03448	13.4
101.02429	29.4
105.03391	1.4
108.02151	3.2
111.00868	10.8
119.05012	29.5
121.02937	35.6
122.03220	1.4
123.04504	2.2
125.02372	2.2
127.03992	29.8
136.05234	1.6
137.02347	2.9
137.06056	3.6
139.00380	1.5
147.04510	25.8
149.02475	8.2
149.06081	1.7
151.04016	2.7
151.07599	4.8
153.05548	11.7
163.03976	5.3
170.68350	1.5
179.07103	52.1
181.05028	5.5
185.04530	11.4
191.03502	2.9
195.06589	1.6
211.09694	5.2
223.06078	100.0
224.06355	3.8
227.09282	1.3
255.03036	1.6
255.08687	35.4
255.15910	1.7
255.23265	39.6
256.08978	2.3
256.23535	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	255.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	4.1
61.26942	1.0
67.01887	6.4
68.99808	17.9
69.03452	24.5
69.54662	8.6
70.04159	1.4
71.01372	3.2
91.05520	5.1
93.03438	5.5
101.01834	1.8
101.02441	14.5
103.77711	1.2
105.03424	2.2
107.05029	2.2
108.02165	3.7
111.00866	9.4
119.05011	39.2
120.98179	1.3
121.02947	27.3
123.04508	2.6
125.02419	3.5
127.04030	7.8
135.04517	3.1
136.05287	3.2
137.06046	5.5
147.04517	31.9
147.72333	1.2
149.02385	3.3
151.03941	2.5
151.07655	7.1
153.05592	6.1
163.03993	6.0
179.07123	65.5
180.07501	2.2
181.05002	2.3
185.04509	8.9
195.06596	3.6
196.03970	1.2
203.14890	1.1
223.06090	100.0
224.06374	4.7
255.08739	22.2
255.23236	14.7
256.08844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2323
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
52.92200	0.1
59.01368	0.2
59.28222	0.1
70.67873	0.2
70.68237	0.2
99.84950	0.1
117.84408	0.1
129.40974	0.1
133.94026	0.1
149.16895	0.1
179.97620	0.1
194.92836	0.2
237.22255	0.2
255.23251	100.0
256.23587	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	257.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
56.70639	0.5
57.03434	0.6
57.39498	0.5
58.86499	0.5
59.01372	100.0
60.01709	1.0
62.78334	0.5
63.21738	0.5
63.48247	0.4
71.05016	0.6
71.61803	0.8
75.00873	3.7
83.05029	2.1
93.03442	2.2
95.05030	1.3
97.06587	0.5
99.04423	0.5
111.04522	0.6
120.97440	0.6
125.02387	0.5
125.09711	0.9
137.02422	0.7
137.06082	1.0
139.07576	0.6
145.02881	0.8
163.11258	1.1
174.33257	0.5
179.10725	0.6
181.12314	1.0
183.10251	0.9
195.10243	0.7
195.13857	0.7
197.15445	0.6
198.52629	0.5
213.09578	0.8
225.11331	2.3
237.39026	0.5
239.12857	0.8
257.08316	2.3
257.13913	37.3
257.17514	5.0
257.23895	1.7
258.14243	2.3
279.13196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2119
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
58.78710	0.4
59.01361	1.7
62.59143	0.5
74.02463	0.7
75.00870	5.1
94.52143	0.4
113.09694	1.9
113.33196	0.5
125.09728	0.7
127.11279	1.9
133.13824	0.5
137.02492	0.5
196.92397	0.7
197.90346	0.7
203.97348	0.6
211.20618	2.3
221.84340	0.7
229.83105	0.5
239.20174	1.6
255.19733	0.7
257.04489	1.0
257.21198	100.0
257.93924	1.3
258.21506	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	258.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.5
65.38400	1.1
73.84988	1.0
83.05048	1.4
84.04536	13.8
85.02937	4.4
100.04028	3.3
101.06094	1.7
128.03528	4.6
128.07159	64.9
129.05539	7.1
129.07458	2.2
130.08708	4.0
135.04494	6.6
142.12361	7.0
150.03194	1.2
152.10760	2.6
161.02412	4.5
168.10225	2.2
170.11842	16.8
179.03444	3.5
196.09804	7.6
201.17461	1.3
203.03603	1.8
214.10814	100.0
215.11150	3.0
238.06590	2.8
240.08717	5.8
258.09772	40.9
259.07132	3.9
259.09711	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	259.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.0
67.01892	6.7
68.99795	3.2
69.03452	21.6
72.00896	9.6
75.00874	1.4
86.02471	48.3
92.05048	50.2
93.05368	1.0
95.05017	17.3
99.04509	5.5
101.02431	5.6
110.88373	1.1
111.00880	8.8
111.04540	6.4
113.02366	1.6
113.06075	3.1
115.03984	1.4
116.05051	51.1
117.05376	2.5
121.02917	3.3
127.03983	6.8
137.09665	1.8
139.00348	3.2
139.04004	3.3
139.07614	1.5
142.06606	18.7
144.08194	5.4
153.05632	1.2
153.09219	1.5
154.06607	5.1
156.06905	4.1
165.05521	2.2
169.07690	8.4
171.09250	50.1
172.09589	2.4
181.05023	2.1
198.88225	1.2
199.09718	6.5
215.08223	100.0
216.08487	5.9
217.10757	12.7
222.52800	1.1
259.07208	23.2
259.11707	2.3
260.07626	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	259.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
58.20454	0.5
59.01373	3.9
67.05531	0.5
68.11012	0.5
69.03453	1.4
69.32636	5.0
72.59868	0.5
72.99278	0.6
73.02944	0.8
79.95736	0.7
81.14793	0.5
84.94186	0.5
85.02959	1.1
86.02480	0.8
92.05054	0.8
93.03455	1.1
93.07083	1.2
95.05041	0.7
96.95995	6.0
98.20617	1.3
99.04526	0.6
105.99689	0.5
106.04256	2.8
107.05048	0.8
108.89996	0.4
109.06579	11.7
110.03741	4.1
111.00862	6.7
111.04521	1.1
111.08054	0.6
116.05042	1.0
119.05000	0.7
121.02959	1.6
121.06580	55.6
121.27303	0.5
121.88806	0.5
122.06926	1.4
123.08121	0.6
134.03732	1.1
135.04509	97.3
136.04810	3.1
137.06107	0.5
138.06804	0.5
139.07645	8.4
140.08040	0.5
142.06622	0.6
153.05591	5.3
153.09200	24.7
153.10457	1.2
155.08249	0.7
161.80534	0.6
165.05548	32.4
166.05954	1.1
171.09198	0.6
179.03474	100.0
179.90482	0.5
180.03810	3.8
180.16580	0.5
183.06580	2.7
185.08145	1.1
197.08160	3.9
215.00172	1.7
215.08260	1.8
217.10828	2.2
227.05524	7.8
229.07149	1.1
241.07054	2.5
258.99118	29.4
259.08176	2.8
259.11792	2.0
259.99347	0.9
269.31299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0818
Annotation	Lamiridosin A
Peak:m/z	Relative Intensity
55.01876	0.7
58.20454	0.5
59.01373	3.9
67.05531	0.5
68.11012	0.5
69.03453	1.4
69.32636	5.0
72.59868	0.5
72.99278	0.6
73.02944	0.8
79.95736	0.7
81.14793	0.5
84.94186	0.5
85.02959	1.1
86.02480	0.8
92.05054	0.8
93.03455	1.1
93.07083	1.2
95.05041	0.7
96.95995	6.0
98.20617	1.3
99.04526	0.6
105.99689	0.5
106.04256	2.8
107.05048	0.8
108.89996	0.4
109.06579	11.7
110.03741	4.1
111.00862	6.7
111.04521	1.1
111.08054	0.6
116.05042	1.0
119.05000	0.7
121.02959	1.6
121.06580	55.6
121.27303	0.5
121.88806	0.5
122.06926	1.4
123.08121	0.6
134.03732	1.1
135.04509	97.3
136.04810	3.1
137.06107	0.5
138.06804	0.5
139.07645	8.4
140.08040	0.5
142.06622	0.6
153.05591	5.3
153.09200	24.7
153.10457	1.2
155.08249	0.7
161.80534	0.6
165.05548	32.4
166.05954	1.1
171.09198	0.6
179.03474	100.0
179.90482	0.5
180.03810	3.8
180.16580	0.5
183.06580	2.7
185.08145	1.1
197.08160	3.9
215.00172	1.7
215.08260	1.8
217.10828	2.2
227.05524	7.8
229.07149	1.1
241.07054	2.5
258.99118	29.4
259.08176	2.8
259.11792	2.0
259.99347	0.9
269.31299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12991	1.0
59.01371	12.0
59.12152	1.1
67.01882	64.1
68.02240	1.5
68.99803	10.3
69.03447	36.7
70.93818	1.6
70.94136	1.6
71.96460	1.0
83.64201	1.1
95.05018	39.6
96.05366	1.1
97.02903	1.5
99.04507	100.0
100.04813	1.1
101.02427	17.5
111.00871	22.6
113.06079	8.2
121.02944	6.8
123.84668	1.1
127.03992	24.3
130.69687	1.0
137.06039	2.3
139.00354	15.2
139.04002	8.2
159.73682	1.0
165.05542	5.0
171.03035	1.3
179.98676	1.2
181.05037	11.4
183.06628	1.9
199.09694	2.4
209.04572	1.2
213.07695	6.4
217.10742	2.0
221.89729	1.1
241.07095	3.8
259.08044	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	259.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14464	0.1
65.03960	1.3
67.01885	0.3
67.05521	0.8
69.03438	3.8
69.63970	1.0
75.18571	0.1
76.87874	0.1
80.02673	0.3
85.43211	0.1
93.03444	26.3
94.03780	0.6
95.05011	53.5
96.05360	1.4
98.19761	0.2
106.04266	0.2
107.05055	0.3
110.03698	0.3
111.00887	1.3
111.04504	6.0
118.94576	0.2
121.02936	10.6
122.03248	0.3
137.06053	0.8
139.03990	100.0
140.04337	2.4
147.03215	0.2
259.09692	13.4
260.10162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.09520	0.2
65.03960	0.9
67.05518	0.6
69.03448	3.9
70.36224	0.2
78.95856	0.2
80.02692	0.4
93.03446	27.8
94.03781	0.8
95.05016	54.7
96.05360	0.9
107.05038	0.5
111.00865	0.8
111.04508	5.9
113.38324	0.2
121.02940	11.4
122.03233	0.6
123.87054	0.3
137.06090	1.0
139.03995	100.0
140.04324	2.9
146.17078	0.2
259.09705	13.9
259.19128	0.8
260.10034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49326	0.1
51.68972	0.1
55.55123	0.1
59.01356	0.5
65.03959	1.2
65.10109	0.2
67.01881	0.2
67.05533	0.7
68.99814	0.2
69.03096	0.3
69.03450	4.1
69.63287	0.3
69.63698	0.6
70.03773	0.2
80.02654	0.2
83.05007	0.2
87.45492	0.1
91.01901	0.3
93.03448	26.9
94.03781	0.7
95.05017	54.4
96.05338	1.0
107.05029	0.5
108.02184	0.2
110.03726	0.3
111.00880	1.7
111.04509	5.5
121.02944	10.9
126.38972	0.1
137.06012	0.7
139.03998	100.0
140.04327	2.5
207.94182	0.2
249.28081	0.2
259.09714	12.6
260.10013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63461	0.3
59.01374	1.4
65.03945	0.9
65.90984	0.3
67.05525	0.6
69.03448	3.5
71.60841	0.4
74.67169	0.3
93.03448	25.4
95.05016	50.7
96.05339	1.2
102.11240	0.3
107.05009	0.3
110.03661	0.3
111.00889	1.0
111.04511	5.1
116.37300	0.3
121.02937	10.1
121.47386	0.3
137.06053	0.5
138.86340	0.3
139.03993	100.0
140.04321	2.6
154.30101	0.3
176.98108	0.3
184.80537	0.3
192.47615	0.3
195.39703	0.3
203.85724	0.3
259.09723	13.1
260.10059	0.9
284.12112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40808	0.8
59.01371	17.5
64.80295	0.9
69.31056	4.7
69.31475	4.0
71.26067	0.8
83.28119	0.9
100.09837	0.9
127.11258	1.3
137.09735	6.7
155.10764	100.0
156.11067	2.7
171.10252	21.5
175.32588	0.8
181.08701	1.6
184.88237	0.9
199.09723	38.7
200.09982	1.2
215.12813	2.1
217.10776	95.7
218.11174	5.5
259.11810	23.5
260.12177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.5
59.01373	54.8
69.03442	2.3
71.01391	1.2
71.05003	5.9
71.12051	1.1
71.12384	1.2
73.02953	1.2
82.91717	0.7
83.05022	1.0
88.34965	0.6
88.92622	0.9
91.74602	0.8
95.05022	1.7
97.06584	9.3
109.06576	1.6
113.09739	1.4
119.10545	0.8
123.08155	5.3
125.09718	3.9
129.02719	0.8
130.08678	3.3
135.08141	4.5
137.09692	8.0
141.09210	7.6
143.11871	3.3
151.07646	1.0
153.09184	9.2
169.08687	8.7
174.94534	0.7
181.08694	15.1
187.09740	13.6
199.09731	100.0
200.10045	4.5
217.10777	72.8
217.78380	0.7
218.11110	3.0
229.11876	3.6
241.10783	7.7
242.11082	0.7
259.11810	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	261.0071
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
53.57183	0.5
57.03435	1.0
59.01373	8.0
62.02330	0.7
71.15480	1.1
72.99300	12.2
75.00861	2.1
78.95891	0.7
79.95731	6.8
80.96529	1.2
81.03462	1.3
93.03451	19.8
94.03761	0.6
96.95993	2.9
98.45074	0.6
107.05032	1.4
109.06588	0.6
119.05016	41.8
120.05395	0.9
125.09697	1.2
135.04518	26.2
137.06122	1.1
143.10760	1.9
157.12346	1.1
158.61678	0.7
163.03995	32.0
164.04352	1.4
178.40805	0.6
181.05048	81.7
182.05380	3.0
199.00676	13.4
201.11301	2.3
215.00168	7.9
219.10638	0.5
219.12350	20.8
261.00708	100.0
261.13364	3.6
262.01096	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	261.0071
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
57.03422	2.0
58.75756	0.6
59.01372	16.3
59.22520	0.7
62.15039	0.6
69.03455	1.1
71.01376	0.7
72.99307	12.3
73.05932	0.8
73.65178	0.5
75.00867	2.5
78.95895	20.8
79.95731	7.9
80.96526	0.7
81.03448	1.4
82.85040	0.6
83.05007	2.7
85.02917	0.9
87.00871	0.7
87.04502	12.2
93.03452	20.5
94.03777	0.8
95.05030	1.7
96.96027	3.8
96.96953	21.4
97.06567	1.1
99.00852	0.9
99.02692	0.9
101.06113	0.9
102.98586	0.7
107.05015	2.4
111.02714	1.4
112.98840	0.8
118.98087	2.3
119.05014	39.1
120.05367	0.8
120.99648	5.2
125.09743	1.7
129.03763	1.3
134.03716	0.9
135.04518	26.2
136.04855	1.5
137.06067	1.0
153.09178	0.8
155.01695	2.0
155.10753	1.0
155.48219	0.6
157.12292	1.9
163.03992	32.3
164.04337	1.3
170.97968	0.7
173.02711	3.3
173.11789	3.2
181.05046	75.9
182.05444	3.2
199.00690	16.1
201.11281	8.6
215.00154	7.7
217.01682	1.1
219.12346	46.3
220.12651	1.6
227.84175	0.6
261.00723	100.0
261.03668	12.4
261.09692	1.5
261.13330	7.4
262.01074	4.6
262.03705	0.9
277.86157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88171	0.5
57.03436	1.7
59.01097	1.0
59.01375	14.9
69.03454	1.0
69.67618	3.4
72.99305	11.0
73.02959	0.8
74.87953	0.5
74.99087	0.7
75.00866	2.8
78.91874	1.3
78.95457	1.2
78.95898	18.7
79.95725	5.7
80.96490	1.1
81.03449	2.1
83.05032	2.2
85.02941	0.7
87.04504	12.1
93.03458	18.2
95.05061	1.2
96.96007	4.2
96.96951	18.4
97.02944	0.8
97.06585	1.2
98.30171	0.5
99.00870	1.2
99.02739	0.8
101.06111	0.6
102.98576	0.6
103.92056	0.5
107.05010	2.8
111.02750	0.9
111.08107	0.5
112.22679	0.6
113.06076	0.6
115.07640	0.8
118.98055	1.6
119.05013	37.3
120.05345	1.2
120.99642	4.7
125.09716	1.9
129.01875	0.6
131.01659	0.6
134.03699	1.1
135.04514	22.9
137.06075	1.6
143.10800	1.4
153.09230	0.8
155.01732	1.5
155.10796	0.9
157.12312	2.4
163.03999	29.8
173.02765	3.1
173.04312	0.8
173.11830	3.9
181.05057	66.0
182.05379	2.3
184.01151	0.6
199.00676	16.1
201.11313	6.8
215.00189	6.3
217.01639	1.0
219.12349	37.9
220.12749	0.9
231.24394	0.6
261.00720	100.0
261.03677	11.7
261.09763	1.9
261.13330	6.0
262.01093	4.5
262.13882	0.6
273.36273	0.5
283.26276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85754	2.0
58.02969	13.7
58.99590	2.4
59.01374	14.6
69.32642	21.9
70.02990	2.7
73.02934	3.7
74.02467	47.4
74.99095	4.0
82.02988	15.4
83.01369	8.1
84.00912	2.6
85.02937	3.9
85.04073	4.8
87.05627	39.6
96.04558	18.9
97.04070	22.9
98.02446	10.5
98.20646	3.9
99.05624	28.6
101.02414	2.8
108.04534	15.0
109.04044	3.8
110.02457	7.2
111.58279	2.5
111.82915	2.3
112.04047	25.7
112.07638	15.6
113.03553	15.3
116.01744	2.8
118.94226	2.2
122.06123	5.0
124.04030	11.1
125.03526	5.1
125.04806	5.9
125.09670	3.3
126.05613	2.8
127.05088	22.2
127.08769	3.6
127.33046	2.2
131.04594	7.8
133.04335	2.2
135.04443	2.2
137.07198	10.0
138.05545	4.0
140.07173	32.9
140.08189	4.4
142.03279	4.8
143.04604	8.2
150.04228	4.0
152.03522	6.5
153.06642	4.1
155.08237	51.9
160.00720	3.3
165.06656	39.0
166.05020	4.4
169.06122	7.0
170.07355	5.8
170.88399	2.7
177.03351	5.8
178.94992	5.3
181.06158	3.1
183.07724	81.6
184.08051	2.7
185.09715	19.5
186.02280	5.5
187.09677	2.7
197.05602	3.4
204.76169	2.3
215.06747	11.3
217.08864	3.0
217.12277	4.7
225.05136	5.7
227.06686	100.0
228.06923	3.7
261.05417	42.8
261.07782	2.5
261.11310	4.5
261.18539	6.5
261.22083	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	261.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24996	0.4
57.03427	1.2
57.46844	0.4
59.01374	5.4
67.01888	4.3
69.03442	1.3
69.32398	2.3
69.32817	1.5
71.01379	3.5
71.04997	0.6
73.02943	0.6
74.02460	0.5
78.95885	3.1
81.03450	0.7
82.83430	0.5
83.05020	2.2
85.02950	0.9
87.04504	37.7
88.04846	0.5
91.02224	1.7
93.03448	25.1
94.03799	0.6
95.01225	0.4
96.96944	2.1
98.19836	0.8
101.02393	0.7
109.02898	0.5
111.00870	0.9
111.04513	4.9
115.04070	0.5
116.05005	1.1
125.89699	0.5
126.05564	0.6
127.03981	0.6
132.04770	0.4
135.04489	1.5
137.02422	5.6
155.03506	4.9
158.43222	0.4
173.04520	100.0
174.04883	2.9
179.03442	0.9
179.72116	0.5
181.05089	0.7
181.06973	1.2
183.07697	0.5
201.11264	1.1
201.17682	0.5
217.09886	0.5
219.12318	4.7
227.06644	0.6
244.86435	0.6
261.00525	0.8
261.03510	0.5
261.09738	17.8
261.13412	3.0
262.10019	0.4
280.95044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1127
Annotation	Dihydrogriesenin
Peak:m/z	Relative Intensity
51.79074	0.7
59.01346	1.5
65.03952	0.9
73.02942	11.3
79.05524	13.6
80.02673	2.9
81.03446	1.0
91.05504	4.0
93.03445	12.8
95.05009	2.2
97.06572	0.8
98.20635	2.2
105.07073	1.1
106.98149	0.9
107.05004	2.3
117.07028	0.8
126.07737	0.7
128.06288	1.7
129.07092	2.6
130.04201	0.7
133.02921	3.6
134.03709	1.5
135.04514	16.6
141.07079	1.1
142.07852	2.3
143.08656	15.2
155.08670	5.3
157.06569	2.1
157.10205	10.8
158.10590	1.0
161.02441	4.9
167.08641	1.7
169.06517	2.1
170.07347	30.6
179.03485	10.4
183.08133	7.0
185.09688	100.0
186.10086	5.6
187.07634	1.3
202.09943	3.2
215.10579	1.1
217.12282	13.5
229.08580	1.2
261.11258	24.4
261.21960	0.9
262.11646	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01709	1.0
71.60839	1.2
73.02944	1.0
78.95905	1.4
78.98840	0.6
87.04543	1.0
96.96988	0.9
99.04475	0.9
109.06498	0.8
135.04510	5.6
137.06146	0.8
155.08316	0.9
155.10773	0.9
159.21983	0.7
160.54103	0.8
165.06659	0.8
172.11197	0.8
176.80539	0.8
179.03473	5.5
181.05157	1.6
183.07788	1.1
201.11348	2.3
219.12363	8.1
223.43193	0.7
260.98550	1.1
261.00903	1.4
261.13455	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	261.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09893	0.6
56.17313	0.5
57.03441	2.7
59.01371	33.8
59.01666	1.2
69.76218	2.6
70.27955	0.5
71.04958	0.7
73.02915	2.0
85.06574	0.8
97.06557	0.6
98.20577	1.1
99.08166	0.6
107.08680	0.5
109.06541	1.4
111.08125	2.0
113.09715	0.6
121.10249	0.6
122.55505	0.5
123.08073	0.6
125.09691	5.1
127.07601	0.8
131.02246	0.5
137.09625	0.5
141.09224	3.5
143.10757	10.1
153.09210	2.8
155.10799	3.5
157.12338	4.4
173.11835	2.7
190.72620	0.5
201.11287	13.9
217.10886	0.6
219.12337	100.0
220.12686	4.9
261.13397	18.4
262.13654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.9754
Annotation	Perfluoropentanoic acid
Peak:m/z	Relative Intensity
58.08425	2.6
59.01379	6.4
69.24441	30.6
78.06052	3.0
95.30602	2.5
96.29129	2.7
139.07663	3.7
151.07646	6.4
156.38680	2.8
196.98361	3.1
204.11545	3.2
218.98573	100.0
219.00694	5.9
219.13718	6.7
250.69290	2.8
264.44907	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	263.1284
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
50.23324	1.7
57.03445	3.0
59.01363	5.8
71.01371	7.1
73.74744	2.0
77.28793	1.7
78.39532	1.3
83.05032	3.8
85.02933	1.8
95.05019	1.9
97.02932	14.4
97.06552	1.6
105.07078	5.0
107.05029	3.4
108.05820	7.7
109.02953	8.3
109.06564	3.0
111.00873	1.5
111.04510	14.4
111.08163	2.7
113.06085	12.2
119.05047	1.5
119.08644	5.1
121.06596	4.5
122.03728	15.7
123.08130	6.5
125.06074	19.0
135.08186	2.2
136.05304	20.0
137.06053	7.1
137.09653	2.0
138.06848	22.1
139.07640	41.4
147.08112	2.1
148.05298	9.7
149.06017	5.7
151.07631	82.1
152.04784	8.5
152.08406	43.5
153.09203	15.1
159.11797	3.9
161.09715	8.2
163.07643	16.9
164.08199	2.2
167.07127	4.2
170.05812	1.5
175.07578	1.8
185.09647	2.3
188.08409	2.4
189.09265	7.8
201.12830	30.0
202.13248	1.9
203.10748	24.9
204.11520	65.0
205.11804	4.4
218.98503	2.3
219.13866	100.0
220.14207	4.3
229.43980	1.8
263.10266	1.8
263.12796	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	263.1285
Annotation	Dendocarbin E
Peak:m/z	Relative Intensity
59.01372	57.0
59.80589	2.1
61.98822	3.2
65.32639	1.9
69.44571	10.6
69.44987	5.5
71.01369	3.6
73.02942	2.9
79.05526	9.4
80.02684	2.1
80.59653	2.0
81.03445	26.5
85.02972	2.3
95.05008	9.2
98.20641	3.9
106.04243	10.0
107.05049	10.3
113.02392	2.3
113.06078	19.2
132.05791	3.7
145.10181	3.4
152.42523	2.2
159.11775	27.8
159.71809	2.0
167.53008	2.5
187.11269	100.0
188.11603	6.4
203.12761	4.7
204.11551	3.1
219.13878	71.6
220.14288	5.4
237.27293	2.0
263.06058	2.0
263.12860	5.1
263.16461	5.8
263.20023	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	263.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
71.60773	1.2
73.02946	1.7
81.83527	1.2
87.04525	2.0
101.02399	1.5
110.55228	1.2
127.07686	1.7
131.17551	1.0
144.92365	1.1
145.38524	1.2
156.33086	1.2
203.12918	6.2
220.06038	1.4
221.12558	1.1
263.09244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2013
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01376	9.4
59.17208	0.8
61.35899	1.0
61.88353	0.6
61.98828	0.6
68.69664	0.6
69.63335	4.6
71.01364	0.9
133.58598	0.7
169.69875	0.8
171.62704	0.7
204.11327	0.7
234.38004	0.8
245.19107	1.0
263.20111	100.0
264.20514	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	265.1441
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
50.80685	0.7
57.03444	0.7
59.01377	8.8
59.98515	1.8
60.70031	0.7
65.44333	0.7
69.29871	0.7
70.29617	0.7
71.37904	0.8
73.02943	6.2
78.95904	1.6
85.02909	0.8
89.45470	0.8
99.04507	47.0
100.04834	0.9
177.16437	2.0
203.14429	4.0
221.15428	100.0
222.15744	7.7
247.13333	2.0
265.14398	87.6
266.14655	4.8
281.17770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86325	0.3
55.35848	0.2
59.01381	3.0
59.67056	0.3
64.52729	0.2
69.28258	0.8
69.28683	1.7
74.98425	0.3
79.95721	2.1
95.95238	0.3
96.96002	100.0
98.20665	0.6
265.14743	87.1
266.15076	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	265.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57792	0.2
57.30343	0.3
59.01370	2.5
65.78359	0.3
73.70166	0.3
79.95712	2.4
95.95231	0.7
96.95998	100.0
98.62840	0.3
101.75829	0.3
130.87256	0.3
186.93230	0.3
265.14737	83.2
266.15033	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	265.1806
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
50.54784	1.8
50.92755	1.8
59.01372	48.2
68.80148	1.8
71.22703	2.0
85.02927	3.7
93.07080	12.4
96.95992	8.0
98.20659	4.1
101.02435	2.9
109.14833	1.8
125.09685	4.2
134.04611	2.0
149.13341	3.2
167.24245	2.4
171.10245	80.5
172.10571	4.0
185.11801	3.3
197.11847	2.8
197.39571	1.9
203.17958	10.7
247.16995	100.0
248.17287	6.2
265.14697	8.9
265.18030	97.6
266.18350	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	265.1803
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
57.03440	4.4
58.88041	0.6
59.01371	18.0
60.01685	0.7
69.03438	0.9
69.31278	6.2
71.01363	0.7
83.05003	0.7
85.06071	1.3
85.06577	21.2
85.93607	0.7
91.26919	0.7
96.95995	2.4
98.19795	1.5
101.06091	0.7
111.08137	1.9
167.10730	2.0
177.12892	0.7
179.10803	1.6
195.13820	2.1
221.19048	2.3
258.10519	0.7
265.18030	100.0
266.15652	1.1
266.18369	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	265.1804
Annotation	Armatin D
Peak:m/z	Relative Intensity
53.80320	0.6
59.01370	10.4
70.51962	1.8
71.01389	0.8
73.26650	0.7
74.64418	0.5
83.05023	1.2
85.06596	0.6
96.95994	1.2
111.08206	0.5
113.02490	0.6
121.81532	0.6
167.10722	1.3
177.12674	0.6
179.14417	1.6
189.12845	2.8
195.13866	11.6
196.14651	0.9
200.14395	0.7
203.18011	0.6
205.12344	1.0
205.15956	0.7
221.15370	0.8
223.13370	12.2
224.13576	0.9
233.11957	0.5
237.18510	2.1
244.96997	0.6
247.13237	0.7
247.16977	9.0
256.13135	1.9
265.18033	100.0
266.18387	6.8
274.75824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2169
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01371	5.7
68.74718	0.3
71.33121	0.8
82.38483	0.3
96.95995	14.6
103.30965	0.4
242.10437	0.4
265.14789	12.6
265.21661	100.0
266.15186	0.5
266.22012	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	266.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45301	0.5
59.01366	3.4
71.01373	9.1
73.62063	0.5
74.30721	0.5
76.79893	0.5
78.95891	7.8
80.39695	0.5
85.45638	0.6
88.04028	96.9
89.04372	1.4
96.24045	0.5
96.73743	0.5
96.96951	0.7
101.33189	0.6
105.01907	0.8
107.05010	2.1
114.01969	5.5
115.00365	16.7
123.04511	3.5
132.03008	100.0
133.02878	4.2
134.04715	4.9
150.05550	3.3
150.14287	0.6
151.03983	9.6
222.07672	4.0
248.05623	1.4
264.07401	0.8
266.06613	35.9
267.06982	2.4
267.09952	1.8
268.88864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.089
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.06449	0.1
59.01376	0.2
65.01433	0.2
69.63290	0.6
71.01352	0.2
78.95895	0.7
79.94207	0.1
86.07594	0.1
88.04041	0.7
92.02532	1.0
107.03625	5.1
108.03920	0.1
115.00326	0.2
116.19122	0.1
132.03030	0.9
134.04712	100.0
135.03111	0.2
135.05132	2.0
148.06348	0.2
151.02597	0.8
151.03770	0.2
182.30830	0.1
234.14352	0.1
266.08896	6.5
266.21698	0.1
267.07159	0.4
267.09277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0729
Annotation	Inosine
Peak:m/z	Relative Intensity
57.03434	0.5
57.48446	0.3
59.01380	1.9
61.98827	0.8
69.40576	1.9
69.40995	0.5
71.01378	1.7
73.02946	1.2
75.00858	1.1
78.95895	0.4
85.02947	1.6
87.00869	0.9
89.02464	0.4
90.39013	0.3
92.02536	4.8
98.19902	0.6
99.00870	0.5
101.02393	0.3
103.04008	2.2
104.03131	0.2
108.02034	3.0
113.02452	1.9
115.00327	0.7
126.03068	1.2
135.03116	100.0
136.03539	1.4
136.69084	0.3
149.04678	0.4
151.02666	1.3
151.03685	0.3
161.74126	0.3
173.15184	0.3
175.02507	0.4
183.99387	0.3
233.80005	0.3
267.07288	46.8
268.07510	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	267.0717
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
51.23334	2.1
56.98033	1.9
57.03416	4.0
59.01374	23.9
65.12726	1.9
71.01379	31.0
71.30121	1.8
71.60016	2.2
72.99287	5.4
75.00858	17.1
79.82811	2.1
84.10065	1.8
85.02943	39.0
85.16042	1.7
87.00874	14.1
89.02448	11.9
93.03452	2.1
95.01389	4.5
99.00858	6.5
100.65548	1.7
102.54279	2.1
102.78882	1.8
103.00375	2.9
113.02435	42.9
115.00333	2.9
117.01941	3.7
127.03896	2.8
129.01936	3.2
153.90964	1.6
191.05592	83.4
192.05890	3.7
193.06084	3.9
193.81674	2.1
205.06895	1.8
249.06174	4.6
259.50354	1.8
263.39957	1.9
266.98901	3.0
267.07162	100.0
268.07550	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	267.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.3
59.01375	100.0
60.01704	0.7
60.99314	0.3
71.05022	2.1
73.02943	0.3
74.02454	0.4
78.95897	2.6
81.07112	0.2
83.05014	1.3
83.54073	0.3
87.00873	2.1
96.96973	1.1
99.00861	0.5
105.07088	0.3
109.06639	0.4
145.10287	0.3
161.09711	1.0
161.13350	3.2
163.11273	2.0
167.34608	0.3
179.14427	0.4
187.11269	0.9
205.12309	0.9
207.10239	3.0
223.13365	52.8
224.13721	2.9
237.64703	0.3
249.08916	0.3
249.11288	1.1
267.09570	0.5
267.12338	6.9
268.12726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1233
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
50.80820	0.4
57.03432	3.6
59.01373	100.0
60.01715	1.2
60.99321	0.6
69.77660	2.6
71.05006	2.2
71.45238	0.5
80.97910	0.4
82.86652	0.5
83.05019	1.5
87.00871	1.8
107.05072	0.6
121.20257	0.5
142.20749	0.5
161.09740	0.7
161.13329	3.1
163.11296	1.9
177.67847	0.5
187.11295	0.6
187.82065	0.5
205.12331	0.7
207.10312	2.0
208.02917	0.4
223.13354	56.4
224.13728	2.6
249.11433	0.5
267.12363	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	267.1234
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
51.91648	0.9
56.91564	0.9
57.03444	3.0
59.01375	100.0
71.05024	2.7
71.43230	1.1
83.05023	1.1
87.00865	1.6
96.30991	1.1
107.11848	1.0
161.13313	2.8
163.11243	1.3
187.11134	1.1
207.10228	3.5
214.97641	1.2
223.13361	46.6
224.13719	2.7
229.97891	0.9
267.12363	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	267.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.0
59.01372	100.0
61.27996	0.5
70.41321	0.5
71.05022	2.0
81.46302	0.5
83.05031	1.6
87.00860	2.6
118.45197	0.5
119.24509	0.6
145.66817	0.6
161.13307	3.3
163.11310	2.4
187.11337	1.1
189.09178	0.6
192.35710	0.6
205.12437	0.8
205.77066	0.5
207.10303	2.9
223.13368	46.2
224.13695	3.7
256.43954	0.5
267.12320	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	267.1234
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.57302	1.0
57.03432	3.7
59.01374	100.0
61.79708	1.0
69.59063	5.8
71.05001	2.4
78.36160	1.2
87.00851	1.5
96.95982	1.2
98.19938	1.5
98.45716	1.0
118.42469	1.1
144.10980	1.1
161.13284	2.3
169.18710	1.2
177.14453	1.2
207.10188	4.4
223.13362	51.7
224.13690	3.0
248.46513	1.3
267.12405	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	267.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.3
59.01371	100.0
68.23396	1.3
68.59569	1.2
71.05011	2.8
75.63049	1.2
83.05000	1.8
87.00845	1.4
95.36271	1.2
96.96024	3.2
98.20626	4.6
119.25286	1.2
119.79528	1.3
125.06071	1.2
133.34952	1.2
161.09714	1.4
161.13341	2.9
163.11249	2.4
187.11142	1.5
187.38565	1.5
207.10187	2.9
223.13351	54.0
224.13753	3.5
229.52728	1.2
229.54997	1.6
267.12421	7.9
285.75720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99334	0.7
55.21240	0.6
56.82693	0.6
59.01369	5.3
60.92269	0.8
69.17321	0.7
70.73233	2.1
71.01373	0.8
72.99312	1.9
73.02937	8.8
75.00875	1.2
78.95899	2.4
79.63415	0.6
85.02927	0.8
87.00900	1.0
97.06561	1.4
109.06605	0.7
111.00914	0.7
115.43971	0.6
137.09637	1.3
200.99171	0.8
205.15921	4.3
218.85243	0.7
223.17000	100.0
224.17319	5.4
249.14980	3.8
267.15967	93.9
268.16342	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	267.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52478	0.5
59.01374	3.8
65.58517	0.5
66.33073	0.5
71.01384	0.7
71.18098	0.8
73.02911	0.9
78.95880	0.9
83.05028	1.1
87.00840	0.7
88.57893	0.6
101.41027	0.5
106.55276	0.5
111.37602	0.6
121.02982	0.6
139.03880	0.5
205.15950	15.7
206.16301	0.8
223.16998	100.0
224.17351	6.9
231.13841	1.3
249.14920	7.5
267.11279	4.1
267.15967	58.9
268.16324	4.3
289.58270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1961
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
57.03436	0.7
59.01369	4.6
71.01356	0.5
71.05028	0.4
71.40329	0.4
71.40675	0.7
78.95903	1.2
83.04989	0.6
85.06591	2.5
87.00864	0.9
96.60751	0.4
96.96004	0.6
104.31374	0.3
121.02951	0.9
171.10207	0.8
177.12811	0.9
179.14351	0.9
181.12405	0.4
183.80643	0.3
195.13881	17.0
196.14218	0.9
209.04536	0.6
223.17049	0.4
224.11565	0.3
249.18556	18.8
250.18895	1.5
267.19601	100.0
268.19937	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	267.2326
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
59.01361	2.4
65.00300	1.4
70.31671	1.5
70.32069	1.8
79.95667	1.0
83.30006	1.1
96.95994	1.2
98.95576	2.9
104.50195	0.9
107.01323	1.0
151.00369	1.0
267.14435	1.9
267.23254	100.0
268.23581	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	268.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50738	1.3
70.01630	5.2
70.02003	3.1
77.75351	1.2
108.71690	1.3
118.99244	43.7
212.03036	2.0
225.93608	1.6
268.98248	100.0
269.04272	7.6
269.13889	1.4
269.21127	4.0
269.24585	1.7
269.98749	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	269.0452
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.41417	0.2
59.01366	0.7
59.68021	0.2
63.02382	1.6
65.00313	3.0
65.66062	0.3
68.75320	0.2
71.60886	0.3
71.74165	0.2
73.02918	0.4
78.03855	0.3
78.35979	0.2
83.01368	1.4
85.02918	0.3
86.36235	0.3
87.04500	3.3
93.03432	0.3
96.95995	0.4
99.00864	0.5
105.03434	1.0
107.01374	5.5
117.03452	21.7
118.03796	0.8
121.02931	1.5
124.47105	0.3
147.04536	0.5
149.02435	8.6
151.00351	10.4
155.07146	0.7
159.04497	1.9
169.01451	0.4
169.06590	0.4
175.69006	0.3
180.05763	0.6
181.06532	1.6
183.04456	1.5
185.02464	0.6
193.06512	0.3
197.06020	0.6
200.10287	0.3
201.05597	2.0
211.07535	0.5
216.96863	0.3
225.05553	3.5
225.09198	1.0
225.14890	0.7
227.03539	1.5
241.05107	0.3
269.04510	100.0
269.13730	1.3
269.17554	2.6
269.21167	1.2
270.04861	7.0
270.07870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0817
Annotation	Strobopinin
Peak:m/z	Relative Intensity
50.15685	0.5
54.65433	0.6
59.01365	1.2
62.96097	1.0
62.96401	12.0
69.32901	5.2
71.01367	0.9
87.00864	1.3
89.02422	0.9
93.03440	1.2
96.67234	0.6
98.20630	1.1
106.04285	2.9
109.02959	1.2
111.00861	1.4
117.03444	0.6
121.02945	5.0
121.17507	0.5
133.02943	21.0
134.03729	36.2
135.04065	1.2
137.02426	39.3
138.02763	1.0
139.03003	1.1
139.03998	13.4
149.02428	1.0
150.03204	5.1
161.02434	14.4
165.01917	1.2
178.02693	20.0
179.03033	1.0
186.95557	3.0
213.99861	0.6
225.09215	1.4
238.23174	0.5
254.05934	0.8
269.08157	100.0
269.13049	6.6
269.17676	1.6
269.21152	5.1
269.24738	1.7
270.08551	7.5
270.20758	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01707	0.8
68.99812	20.5
70.55968	0.5
71.05800	0.4
71.62379	0.5
78.70222	0.5
95.06371	0.5
101.02436	40.6
102.02803	1.0
107.05016	2.2
149.02255	0.4
172.65753	0.4
209.08182	4.1
269.04501	3.4
269.10403	1.9
269.17899	0.6
269.21262	2.6
269.24713	0.8
270.05084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	0.7
57.03445	7.6
59.01366	2.5
59.47002	0.4
63.74536	0.4
67.81620	0.4
68.99816	0.4
69.03437	0.6
69.66457	0.8
69.66853	2.0
87.00873	0.5
91.82074	0.4
98.20669	0.4
101.02404	0.5
117.03424	0.8
118.37645	0.4
137.09712	5.5
149.02458	0.5
151.00327	0.7
153.09163	0.6
155.10765	35.1
156.11055	1.3
163.11295	1.6
164.25096	0.4
165.11786	0.2
165.12808	8.8
181.08693	13.0
181.15956	4.5
182.09052	0.6
199.09697	1.4
207.13853	7.1
208.14281	0.4
209.11743	0.5
225.14941	15.2
226.15231	0.7
237.99840	0.4
251.12778	2.4
269.04507	4.3
269.13910	100.0
269.21228	3.0
270.14276	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	269.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12849	0.5
51.92144	0.5
57.03436	1.7
57.14305	0.6
59.01371	100.0
60.01709	1.2
69.43974	4.2
72.66259	0.5
99.04516	3.9
141.34972	0.6
143.93921	0.5
152.85904	0.6
163.11237	0.8
165.12814	6.9
166.13113	0.7
183.17657	0.5
189.12842	0.9
190.12624	0.5
203.25206	0.6
207.13857	15.5
208.14233	0.9
209.11778	18.5
225.14905	10.0
251.12856	6.9
252.13135	0.8
269.13889	82.8
270.14249	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	269.2119
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01349	0.7
59.24099	0.3
59.74759	0.3
69.51730	2.3
75.00843	0.3
77.94387	0.3
87.00895	0.8
89.02409	0.8
98.20641	0.3
108.49585	0.4
186.95616	0.5
202.18925	0.4
223.20595	1.1
225.22191	0.8
251.20111	1.4
269.04480	0.9
269.21173	100.0
270.21527	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.248
Annotation	Margaric acid
Peak:m/z	Relative Intensity
55.16188	0.4
58.00580	0.8
59.01368	0.9
60.80326	0.4
63.30824	0.4
69.03445	1.6
71.01375	7.4
71.18941	0.8
73.02938	9.8
84.02129	0.5
87.00881	1.2
89.02444	1.1
104.26308	0.5
107.18974	0.4
116.11053	0.4
116.58528	0.4
117.03376	0.6
139.21068	0.4
140.58194	0.4
142.48872	0.5
208.36586	0.5
227.88397	0.5
235.97035	0.5
237.22319	0.5
239.23763	7.7
251.23756	0.6
255.23280	0.7
267.23267	8.2
268.23434	0.7
269.04492	1.9
269.21429	4.1
269.24802	100.0
270.25110	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	271.0609
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01364	0.6
61.98820	0.3
63.02389	10.7
63.44708	0.3
63.56642	0.3
64.02702	0.3
64.13531	0.3
65.00317	16.9
66.00683	0.3
68.34528	0.3
68.99794	0.5
72.76730	0.2
81.03468	0.6
83.01379	10.8
93.03452	14.7
98.19830	0.9
101.44933	0.2
107.01381	26.7
108.01650	0.4
108.99319	0.4
109.02927	0.7
117.03455	0.5
119.05019	75.3
120.05366	2.3
121.02923	0.8
125.02439	1.7
127.03128	0.3
127.04016	0.8
137.02428	0.8
139.00328	0.3
143.04990	0.8
145.02916	1.6
149.02371	0.3
151.00359	68.3
152.00699	1.7
161.06079	1.6
165.01927	3.7
166.02257	0.3
169.01436	2.1
177.01917	10.1
185.06009	1.2
187.04001	2.6
195.06610	0.4
209.15491	0.3
211.13329	0.6
227.07106	0.6
230.08783	0.3
253.04977	0.4
271.06079	100.0
271.15411	1.4
271.22711	0.6
272.06424	6.7
272.09326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33180	2.0
51.84113	2.5
59.01354	3.4
59.86189	2.4
67.01869	14.4
67.94261	2.3
68.99812	100.0
69.03100	2.8
69.03452	36.5
69.37015	20.1
69.56864	2.0
73.02927	9.3
85.02942	71.6
93.03448	22.8
95.01361	5.7
100.86176	2.1
101.02431	64.1
111.00877	2.6
111.08139	2.5
117.03435	11.1
119.04970	7.2
121.02941	48.2
125.02435	17.4
125.06059	19.5
127.03994	31.0
135.04359	2.8
137.02435	15.4
139.00360	12.2
139.07625	2.3
145.02896	6.4
153.05592	6.0
157.05009	5.8
158.25992	2.3
163.03989	5.0
165.01909	51.4
166.02402	2.9
171.02959	9.6
177.05556	4.9
185.04533	38.1
195.02962	2.9
195.06631	32.5
212.89793	2.5
239.05576	76.5
240.05930	2.9
271.15546	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	271.0821
Annotation	Arbutin
Peak:m/z	Relative Intensity
55.01858	0.3
57.03440	0.3
59.01362	1.3
61.98820	0.5
68.99812	0.3
69.03442	0.2
70.02609	0.6
71.01376	8.3
72.99282	0.3
73.02946	2.3
75.00878	0.2
78.95913	0.4
81.03430	0.2
81.15838	0.2
83.01375	0.6
84.06486	0.2
85.02944	3.6
87.00866	0.3
89.02430	1.9
95.01373	1.6
96.96958	0.5
97.02950	0.4
98.19829	0.2
99.00861	1.3
101.02430	4.6
107.05035	0.5
108.02162	100.0
109.02986	11.6
110.03313	0.4
113.01678	0.3
113.02434	3.7
121.02944	1.3
122.03725	0.2
123.00853	1.0
123.04510	1.4
125.02449	0.3
130.08710	0.7
133.02957	1.2
134.03714	0.3
135.04497	0.7
137.02431	0.3
142.99820	0.3
143.03453	0.4
151.03978	4.3
152.04271	0.2
157.66325	0.2
159.02948	0.9
161.04532	5.7
163.03967	1.8
181.05058	0.2
201.04657	0.2
262.03088	0.2
271.08121	1.2
271.22684	0.4
272.09714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2275
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.61501	0.2
53.85853	0.2
57.01203	0.2
59.01355	0.9
61.98820	0.3
66.92603	0.2
68.99558	0.7
69.16310	0.2
69.83632	0.2
83.66818	0.3
89.02440	0.4
98.87814	0.2
103.85668	0.2
108.02151	1.1
109.02888	0.5
110.21243	0.2
112.98545	0.6
125.02391	0.8
134.97780	0.4
176.98788	1.0
223.20695	0.3
225.22174	4.1
226.22536	0.4
228.21284	0.3
241.04901	0.5
253.21622	1.6
269.21179	0.7
271.22742	100.0
272.23090	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	273.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17568	0.3
59.01367	0.5
67.01875	0.3
68.99812	0.3
69.03451	0.3
71.61900	0.3
81.03460	0.6
93.03467	0.7
95.05028	0.9
99.04498	1.4
101.02455	0.5
107.05067	0.3
111.00883	0.3
112.00394	0.5
120.99639	2.2
121.02942	4.4
123.04485	2.0
125.02426	0.4
127.02245	0.3
133.02928	1.6
139.02219	0.3
139.99355	3.5
151.03986	4.5
153.05544	0.6
155.01700	8.6
156.02036	0.3
160.72336	0.3
160.99675	0.3
167.01691	0.8
168.06635	0.4
173.04503	1.2
185.02748	100.0
186.03082	4.0
191.05653	0.3
243.09824	0.6
273.04321	10.7
273.10709	0.3
274.04477	0.5
274.07147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0763
Annotation	Epiguibourtinidol-4alpha-ol
Peak:m/z	Relative Intensity
51.96358	0.0
59.01366	0.1
65.03957	2.3
67.01870	0.1
68.99837	0.1
69.56201	0.2
69.56626	0.2
83.11935	0.1
84.90742	0.1
89.46417	0.1
91.01890	0.1
92.02659	0.1
93.03444	100.0
94.03775	2.5
95.05097	0.1
99.04536	0.0
101.02434	0.1
108.02135	0.1
109.02927	1.1
121.02853	0.1
123.04505	1.0
127.03964	0.1
137.02423	26.3
138.02747	0.8
139.00392	0.1
153.05560	1.7
154.05919	0.1
189.70869	0.1
201.09134	0.1
245.08089	0.3
273.07632	19.9
274.07980	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	273.0765
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
62.27437	0.1
65.03954	2.3
67.01888	0.2
81.21309	0.1
90.34510	0.1
91.01884	0.1
91.17052	0.1
92.02681	0.1
93.03442	100.0
94.03772	2.5
95.05039	0.1
99.04498	0.1
101.02424	0.2
109.02931	1.0
121.02913	0.1
122.03790	0.1
123.03667	0.0
123.04500	1.1
127.04000	0.2
137.02420	27.3
138.02763	0.8
139.00343	0.1
153.04263	0.1
153.05554	1.7
166.66924	0.1
245.08107	0.4
273.07626	19.0
274.07990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47253	1.2
59.01377	3.0
67.01884	55.5
68.99454	2.0
68.99811	26.0
69.03458	6.3
85.02898	2.0
93.03455	9.5
95.05016	100.0
95.47659	1.4
96.05372	2.8
97.02950	1.7
99.03881	2.6
99.04508	46.8
101.02433	54.4
109.02931	1.9
111.00874	14.7
111.04482	2.6
119.04989	1.6
121.02956	15.9
123.04458	3.2
125.02417	2.1
127.03999	85.6
128.04320	2.5
134.03726	9.8
135.03456	1.9
135.04504	35.0
136.04834	4.0
139.00363	37.1
139.03981	14.9
144.51611	1.2
147.04535	2.5
149.02444	1.8
149.06064	1.6
160.43518	1.4
165.05609	6.8
171.02954	2.0
173.04492	8.3
176.03940	2.3
179.03479	5.0
179.07094	2.8
183.04691	1.6
185.04497	3.3
191.05602	21.1
192.05859	1.7
193.05110	1.9
223.06071	1.9
241.07104	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	273.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03352	1.8
53.27869	1.4
59.01374	2.3
67.01884	36.1
68.99811	23.9
69.03454	8.5
73.02930	1.4
93.03462	2.6
95.05016	100.0
96.05363	4.4
97.03013	1.8
99.04514	18.4
101.02431	53.9
111.00873	15.5
113.55297	1.6
121.02951	13.2
121.83829	1.4
123.04498	3.4
125.02392	2.4
127.04001	73.6
135.04459	2.0
139.00371	38.6
139.04007	17.4
155.03618	1.7
155.10710	2.0
158.68234	1.6
165.05504	8.9
173.04526	5.0
185.04468	2.6
186.07185	4.2
191.05656	3.3
209.04497	1.9
241.07114	5.3
256.38129	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	273.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45627	1.4
67.01882	82.0
68.02187	1.8
68.99811	24.7
69.03455	4.4
69.84834	6.2
69.85234	2.2
74.57033	1.4
76.70972	1.3
93.03425	1.9
95.05016	71.8
96.05317	2.1
97.02949	1.6
99.04508	100.0
100.04874	2.4
101.02430	44.4
111.00876	20.1
111.04517	2.0
121.02937	16.3
123.04496	2.7
127.04000	69.0
128.04324	3.2
139.00357	43.4
139.04004	24.4
147.04482	1.4
149.02382	1.5
164.26448	1.5
165.05554	8.1
173.04533	3.3
181.05042	3.3
193.07634	4.7
205.86705	1.2
209.04590	2.0
224.59024	1.4
241.07147	16.1
272.71344	1.4
273.03400	2.6
273.09711	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	273.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73026	1.6
59.49737	1.5
61.90416	1.6
67.01883	89.2
68.99809	21.6
69.03445	6.0
69.99148	6.8
72.92848	1.7
79.52290	1.5
90.24374	1.5
91.52534	1.6
95.05019	99.5
96.05359	2.6
97.37020	1.6
99.04508	83.6
99.69999	1.5
100.04869	2.0
101.02435	59.5
111.00858	24.2
111.04484	3.0
114.05717	1.8
116.93495	1.7
121.02954	22.2
123.04527	3.0
127.04003	100.0
128.04332	2.1
131.83769	1.4
139.00369	57.7
139.03983	24.6
139.29657	1.7
140.04338	2.2
149.02414	1.7
152.06148	1.7
165.05566	10.5
170.20596	1.5
178.10100	1.5
184.34427	1.4
209.04492	1.9
217.39030	1.5
218.12206	1.5
241.07146	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	273.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96141	1.1
65.92385	1.1
67.01883	81.4
68.99809	24.3
69.03443	5.4
70.02361	6.6
95.05018	91.2
96.05352	1.9
98.20508	1.5
99.04509	74.5
100.04873	2.1
101.02427	51.3
109.41352	1.4
111.00859	25.7
111.04488	1.7
121.02938	20.4
123.04497	4.8
127.03999	100.0
128.04300	2.0
136.94374	1.2
137.06041	2.2
139.00359	52.1
139.03990	27.5
140.00682	1.8
140.04407	1.2
147.04492	1.9
149.02385	2.5
150.56635	1.2
165.05557	10.1
171.02994	2.9
209.04562	1.6
241.07150	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	273.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95151	1.0
59.01364	3.5
66.76575	1.1
67.01883	53.8
68.99812	13.0
69.03445	3.5
71.01366	3.2
71.05019	1.2
77.87975	1.1
81.03452	1.7
93.02850	1.3
93.03445	29.8
95.05013	43.7
98.19879	3.6
99.04506	90.9
101.02428	28.1
101.39403	1.1
111.00858	11.1
111.04515	6.3
121.02927	8.3
123.04521	2.7
127.03991	49.4
137.02422	5.8
139.00352	24.7
139.03992	15.0
143.78024	1.2
147.04472	1.2
155.03427	5.3
165.05539	5.8
173.04520	100.0
174.04837	3.7
178.02457	1.1
179.07121	1.4
209.04533	1.5
213.07726	2.0
241.07112	8.9
245.98967	1.1
273.09775	14.8
274.10190	2.1
278.36426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99754	0.4
59.01371	1.9
60.99308	0.5
67.01880	4.5
69.03436	0.7
71.01365	2.6
71.36750	0.4
74.79720	0.4
81.03436	0.9
83.05023	1.0
88.25192	0.4
93.03448	25.0
94.03764	0.8
98.20061	2.6
101.06069	38.7
102.06413	0.9
109.02956	1.2
111.00859	1.1
111.04504	5.1
137.02438	5.4
148.46333	0.4
155.03477	5.3
173.04524	100.0
174.04915	3.5
183.11403	0.4
275.11349	13.4
276.11578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48557	1.1
53.11011	1.2
57.03453	1.5
59.01371	10.3
123.08126	4.2
125.09711	82.1
126.10065	3.5
135.08148	2.5
141.09187	4.3
153.09187	15.4
171.10248	89.4
172.10594	3.1
173.04550	1.5
187.09685	6.5
197.08142	13.8
215.09206	100.0
216.09505	3.9
229.11507	1.3
233.10258	46.7
275.11346	40.8
276.11615	2.3
276.39774	1.6
278.41528	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	276.1237
Annotation	Obscurolide A3
Peak:m/z	Relative Intensity
59.01363	1.4
85.02878	0.6
91.05517	1.9
98.19805	1.3
100.07671	0.9
101.06087	0.6
110.86018	0.6
118.06575	1.7
118.95826	0.5
121.02946	1.0
128.07158	29.4
128.08122	1.5
129.07477	0.9
129.61809	0.6
152.91719	1.1
161.88814	0.7
167.56323	0.7
194.92798	3.3
194.95554	0.8
204.13914	1.4
214.12302	0.7
224.82457	0.6
232.13374	100.0
233.13734	6.5
276.12399	3.2
277.21680	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	276.9881
Annotation	2-C-Methyl-D-erythritol 2,4-cyclodiphosphate
Peak:m/z	Relative Intensity
51.29813	0.2
59.01361	0.3
62.96428	0.3
64.64548	0.2
69.29391	1.8
70.22320	0.2
78.95892	100.0
96.95955	0.8
96.96947	27.6
98.19901	0.4
119.93686	0.4
134.96071	7.4
135.96158	0.5
136.93990	26.0
137.94075	1.4
149.00110	0.6
151.92677	0.8
158.92534	2.6
176.98228	0.3
178.95032	38.9
179.01128	6.6
179.95135	2.7
194.92793	0.4
197.02174	0.8
216.89563	11.0
217.89737	0.6
234.90654	2.6
250.46260	0.2
258.97849	0.6
276.98785	83.5
277.21616	0.6
277.99088	2.8
295.34055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1222
Annotation	Pantetheine
Peak:m/z	Relative Intensity
51.99069	0.2
58.02968	3.1
59.01369	0.6
69.03449	0.3
70.02969	12.9
70.03359	0.7
71.05009	23.3
71.61375	0.3
72.00906	0.6
72.05341	0.4
73.27451	0.3
73.98331	0.4
74.99091	1.1
87.05625	8.2
88.90838	0.3
90.98639	0.3
97.04034	0.3
98.06142	0.6
98.20029	0.3
98.20655	0.3
99.04501	8.0
100.04849	0.3
107.77193	0.3
113.07212	0.3
115.02209	0.8
115.05114	2.1
116.07145	3.6
129.05573	1.3
130.03307	11.0
138.72079	0.3
146.08208	100.0
147.05968	6.4
147.08543	2.6
164.46587	0.3
182.40649	0.3
203.09932	0.3
217.11893	26.5
218.12257	1.2
243.13480	0.8
277.12228	51.0
277.21707	1.4
278.12518	3.2
287.64993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	0.2
59.01376	3.6
61.98811	0.2
71.01368	0.5
71.61423	0.3
75.22121	0.2
79.07712	0.2
83.05039	0.3
83.44788	0.2
93.97533	0.2
94.83791	0.2
96.95984	0.3
99.04485	0.2
113.06068	0.2
121.02916	0.5
140.67166	0.2
152.91696	0.2
177.01749	0.2
194.92773	0.4
205.15845	0.3
205.19695	0.3
227.58098	0.2
233.19084	0.3
233.22701	0.8
259.20621	0.6
275.20142	0.3
277.21667	100.0
278.22015	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	0.2
59.01374	2.7
63.02466	0.1
71.01357	0.2
71.16187	0.3
83.04980	0.1
93.74728	0.1
112.98539	0.2
121.02950	0.4
148.21489	0.2
205.15906	0.3
205.19518	0.2
233.22667	0.4
237.28973	0.1
259.20560	0.5
275.20071	0.5
277.21667	100.0
278.18906	0.3
278.22009	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	277.2168
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.26165	0.4
59.01356	0.7
62.68369	0.3
69.51868	2.8
95.70260	0.4
161.79361	0.4
221.70291	0.4
233.98622	0.4
236.52905	0.4
275.20071	0.5
277.21680	100.0
278.22021	6.9
292.27603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0666
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
59.01368	2.1
62.48613	0.4
70.63193	0.5
70.63524	0.8
71.01370	5.0
73.02926	0.7
85.02955	1.5
88.04028	25.0
89.04343	0.4
93.03459	1.3
94.04813	0.4
97.02966	0.6
99.00854	0.7
101.06078	1.9
114.01950	6.0
115.00359	11.8
117.03496	0.7
119.05010	20.4
120.05340	0.9
132.03009	100.0
133.03404	2.2
137.06084	0.6
145.02930	3.3
147.04546	0.7
157.48373	0.4
158.06104	1.6
162.05583	3.5
163.03972	6.5
216.06586	0.9
231.80992	0.4
234.07645	3.5
250.41054	0.4
273.08990	0.4
278.06638	14.3
278.13080	0.5
279.07062	0.8
285.29349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	14.2
70.16938	2.4
70.33562	11.3
71.01374	7.0
73.02954	3.1
73.05656	2.5
76.80916	3.1
78.95898	36.6
79.50867	2.7
82.91421	2.5
87.00881	7.2
89.02435	7.3
95.32150	2.6
96.95993	100.0
96.96949	96.1
98.20470	4.2
101.02424	6.9
105.01956	3.5
110.02466	4.2
111.01959	6.0
113.02442	5.4
120.99620	4.1
128.03529	3.5
131.77608	2.3
134.97473	2.4
141.84328	2.7
161.04517	3.0
194.57310	2.6
200.66508	2.4
243.06149	10.8
278.10938	2.6
279.10712	4.7
279.23245	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	279.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.9
69.40244	1.7
69.40674	1.1
71.01397	0.4
73.02943	0.4
78.95894	37.9
79.01299	0.3
86.49854	0.3
89.02389	0.4
96.96050	6.7
96.96948	100.0
203.71536	0.3
239.90367	0.3
241.74008	0.3
279.10544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92447	0.3
69.59731	1.7
78.95898	39.4
96.96062	5.8
96.96953	100.0
105.01927	0.4
115.23622	0.3
122.62260	0.3
128.48817	0.3
157.31848	0.3
181.89114	0.3
187.75914	0.3
209.40242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1234
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03446	11.7
59.01374	3.1
63.90210	0.8
69.03437	1.2
69.26534	2.2
69.26939	5.3
71.01368	0.9
78.79699	0.9
82.43445	0.7
83.05022	2.8
85.02951	1.1
87.00876	1.2
90.98585	4.8
95.05006	3.0
97.02955	8.3
97.06570	2.5
99.04473	1.9
107.05033	1.4
108.02119	1.3
108.77615	0.8
109.02956	5.0
109.06574	5.3
111.04510	4.2
116.61174	0.7
119.08655	2.9
121.06589	6.2
122.03736	16.6
123.04504	3.5
123.08141	1.1
124.05293	19.4
125.06090	6.5
125.09706	1.5
129.07442	3.7
135.04501	1.4
135.08153	1.4
136.05215	1.1
137.06075	10.3
137.09679	1.2
139.07632	100.0
140.07973	4.6
140.85764	0.8
145.06624	0.8
147.08289	5.6
149.06082	1.2
162.06825	1.1
163.07645	4.1
163.11217	1.4
168.07887	26.3
169.08591	3.8
171.08147	2.7
175.11296	1.9
177.12811	2.1
179.00145	1.8
180.07846	1.2
187.11249	19.4
188.11638	1.6
189.09169	2.1
190.09984	4.5
205.12300	36.7
206.12691	2.1
215.74045	1.0
217.08928	1.1
217.12302	3.1
231.10216	1.0
235.13351	5.3
249.11264	4.0
279.12326	11.6
279.23260	6.1
302.26083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71280	1.1
55.81023	1.1
57.03439	2.2
59.01371	100.0
69.64383	5.6
71.01366	4.7
71.05018	1.0
73.02943	3.9
78.95891	5.4
79.05440	0.9
85.02917	2.3
86.19079	0.9
87.04490	2.4
89.02452	2.5
89.22314	0.9
96.96008	6.9
96.96960	9.4
97.06552	2.4
98.02440	1.7
99.00883	1.5
99.04494	2.0
101.02451	1.9
101.06053	1.8
103.92376	0.9
104.23686	0.9
107.04982	1.8
108.38244	0.9
111.28014	0.8
113.02423	2.1
113.06065	2.5
113.34060	1.0
117.05508	1.9
119.04980	5.3
120.05312	1.2
125.06041	4.0
132.03004	1.9
138.83395	0.9
139.03960	1.2
146.91782	1.0
149.02365	1.3
151.03925	1.3
156.99298	0.9
163.03970	6.1
163.06049	0.9
201.11240	5.6
206.01535	1.0
219.12346	27.9
279.10812	1.5
279.23264	14.8
280.23398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38467	0.6
59.01361	2.5
60.06316	0.7
60.56122	0.6
66.51424	0.8
68.51700	0.7
69.03451	0.9
69.59666	2.7
69.60094	2.1
71.04976	0.8
83.01370	2.5
87.00854	1.7
93.07099	4.2
93.07585	0.6
95.05015	26.7
96.96024	1.1
97.06608	1.1
98.19845	0.8
121.06606	5.7
123.08134	2.2
136.05276	2.8
137.06055	3.3
137.09665	0.8
139.07642	1.1
163.14868	1.0
167.53952	0.8
181.08670	24.8
182.09029	1.4
191.14388	100.0
192.14700	6.1
217.15916	2.2
235.13353	74.8
236.13725	5.4
261.14868	1.2
279.15976	82.2
279.23096	10.4
280.16367	7.4
280.23657	1.2
298.19620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03139	0.8
59.01366	3.4
73.02909	0.9
74.99094	1.1
81.33820	0.8
83.01379	2.6
93.03432	1.1
93.07083	3.9
95.05013	25.9
97.06585	1.9
121.06635	4.1
123.08121	2.7
123.87583	0.9
136.05272	2.9
137.06070	3.7
139.07664	0.8
181.08679	22.9
181.10234	1.7
191.14389	100.0
192.14729	6.1
219.05028	0.9
235.13361	81.0
236.13698	6.5
279.15979	81.2
279.23029	10.5
280.16315	6.8
280.23495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.196
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
58.35141	1.0
59.01374	6.4
61.98819	2.5
69.48082	3.5
69.48502	4.5
71.01386	1.3
80.12295	1.1
88.01811	1.4
96.96001	3.2
97.06551	1.1
99.93835	1.1
140.71922	1.2
147.62656	1.2
150.51857	1.0
186.74037	1.2
195.13872	13.9
197.90213	1.9
205.12064	1.2
223.13362	11.5
224.25931	1.2
252.26874	1.2
256.13110	3.1
261.18643	7.0
279.19611	100.0
279.23187	33.0
280.19910	7.2
280.23349	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	279.2323
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
57.52406	0.3
58.39319	0.3
58.84177	0.3
59.01368	2.6
71.01361	0.5
71.61721	0.5
74.99091	0.6
78.95335	0.3
85.02930	0.5
96.96012	1.9
101.42332	0.3
113.02406	0.4
126.69905	0.3
137.05998	0.4
154.80049	0.3
173.40874	0.3
179.47514	0.3
190.53345	0.3
234.48347	0.3
261.22180	0.4
279.23239	100.0
280.23584	9.2
289.19870	0.4
295.21213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01372	0.3
59.38441	0.3
70.73928	0.3
71.37888	0.5
92.45836	0.3
105.66307	0.3
108.65034	0.4
110.26946	0.3
114.59485	0.3
127.56669	0.4
279.23254	100.0
280.23602	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	281.1392
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01850	1.5
57.03442	12.5
59.01365	6.9
65.03950	3.2
69.44753	7.5
69.90851	1.1
70.88999	1.1
71.01359	3.2
71.05025	1.6
83.05021	15.8
85.02934	2.5
85.80927	1.2
87.00865	16.5
93.03445	2.2
95.05011	5.0
95.41307	1.3
97.02948	1.8
98.19815	2.0
98.20511	3.8
109.06559	1.7
111.04508	6.3
111.08144	5.0
113.02405	2.3
119.04994	4.7
119.05810	1.1
119.08651	2.6
121.06583	6.7
122.03680	2.4
123.08154	32.0
124.05290	3.3
125.02486	1.4
129.07066	1.6
135.02875	1.5
135.08121	1.4
137.09665	3.3
138.06810	2.5
139.07635	5.6
140.63718	1.1
145.10205	2.8
149.09650	1.3
151.07585	4.1
153.09157	3.9
163.03981	5.2
169.08817	1.9
169.10211	5.0
171.11766	35.3
172.12115	1.5
175.11259	2.2
189.12825	12.9
201.12836	11.0
207.13824	7.6
219.13858	4.4
220.14240	1.6
237.14926	52.9
238.15292	3.3
281.13895	100.0
282.14285	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	281.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
59.01374	100.0
59.12016	0.8
60.01712	1.0
60.28486	1.0
67.78724	0.8
70.46227	1.6
70.46585	2.1
71.01383	2.9
71.05020	4.0
73.02946	3.5
76.11044	0.8
85.02946	2.9
87.00863	17.3
95.05029	2.1
97.06594	1.7
99.00844	1.1
101.02435	2.4
107.05026	3.4
108.76174	1.1
111.00893	0.9
113.02443	1.5
113.06072	1.4
119.05025	2.3
120.05805	3.4
121.06573	2.2
133.06622	1.0
135.04507	1.9
137.02473	0.9
146.07341	1.2
159.11789	2.5
161.04518	1.1
161.09698	23.4
161.12080	0.9
161.13269	5.6
171.10223	2.7
172.08908	1.3
185.09644	1.1
187.11256	47.2
188.11572	1.8
189.09178	6.7
205.12320	5.7
219.13861	14.1
220.14383	1.2
221.11713	2.7
249.11227	1.3
263.16519	2.4
267.12424	2.3
281.10876	1.5
281.13913	7.8
281.17047	1.8
281.24756	11.1
282.25177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.4
57.03436	8.3
58.00587	0.9
59.01372	32.4
60.32006	0.6
61.98813	1.0
64.16645	0.6
65.77143	0.6
69.03452	1.6
70.50226	2.3
71.01372	100.0
72.01720	1.3
72.99297	3.5
73.02934	22.6
73.03342	1.4
78.95907	2.6
83.01375	8.7
84.02139	1.1
85.02938	56.9
86.03289	1.1
87.00871	5.0
87.04530	3.3
89.02431	9.6
93.03461	1.0
95.01373	15.5
96.96961	2.2
97.02950	0.8
97.06586	2.6
98.97417	0.7
99.00858	8.3
99.04457	0.7
101.02435	19.5
103.04016	0.6
113.02435	75.2
114.02760	1.8
117.01913	1.9
117.05596	1.4
119.05009	56.5
120.05356	1.7
129.01874	1.1
131.03436	1.5
133.01526	1.2
133.02930	2.3
135.04506	5.9
137.02380	0.8
137.06049	4.6
139.02760	0.8
143.03459	0.8
149.06102	1.2
150.04207	5.7
159.10234	1.6
161.02451	5.4
161.04541	5.5
163.04001	4.5
175.09734	2.3
177.05550	1.8
179.03506	4.8
179.41417	0.7
181.07141	3.9
189.11327	0.7
203.03506	1.8
221.04512	2.3
221.08244	0.8
221.13890	27.0
222.14262	2.0
281.10660	11.0
281.24780	3.9
282.08188	1.1
282.10941	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	281.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15404	1.9
57.01060	2.0
58.36699	1.9
59.01371	71.2
61.98804	3.3
63.38904	1.9
65.65657	2.3
68.99773	2.2
71.01374	7.1
71.61497	2.4
83.01378	3.5
83.21797	2.0
85.02937	6.2
85.03609	1.6
92.51793	2.6
93.07067	2.7
93.12296	2.0
95.05019	28.9
97.06580	2.6
101.02393	4.9
107.94914	2.0
110.46648	1.9
113.02429	5.4
119.05003	4.6
123.08090	2.8
131.79205	2.0
136.05315	2.2
137.02400	3.0
138.55058	2.1
139.07634	2.3
161.04454	2.9
164.08363	2.5
176.50487	1.8
180.26378	1.9
183.10225	25.4
193.15945	100.0
194.16255	8.0
221.11719	3.8
221.13686	2.2
237.14915	95.3
238.15247	8.3
281.08035	2.7
281.14246	4.2
281.17526	90.0
281.24765	39.9
282.17908	10.0
282.25055	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	282.084
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.17400	0.2
57.03443	0.5
59.01365	1.6
65.24738	0.2
65.99820	0.3
66.00973	0.8
69.89234	0.9
71.01373	1.8
72.01698	0.3
78.00993	0.3
78.95892	0.7
81.46150	0.2
82.04109	0.9
85.02952	0.8
86.03307	0.3
89.02451	0.9
101.02432	11.0
107.03630	4.0
107.57497	0.2
108.02036	8.5
113.02444	0.9
119.05009	0.5
120.05357	0.6
126.03093	3.7
129.37531	0.3
133.01547	28.6
134.01898	0.4
147.75964	0.3
150.04195	100.0
151.02621	0.6
151.04663	2.1
161.04556	0.2
163.06111	0.4
164.05804	0.4
181.07176	4.0
216.49281	0.3
229.58733	0.3
282.08405	29.8
283.08755	1.5
283.26355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0679
Annotation	Xanthosine
Peak:m/z	Relative Intensity
57.73004	0.2
59.01370	5.2
61.98814	0.7
64.80230	0.2
69.93546	0.5
69.93955	0.8
71.01363	1.8
72.01722	0.3
72.99305	0.7
73.02920	0.4
74.99091	0.2
75.00856	0.5
77.73613	0.3
78.95892	5.9
83.01377	0.3
85.02931	1.0
89.02436	0.8
94.62968	0.2
95.01366	0.3
96.96917	1.7
101.02435	5.4
102.98568	0.3
108.02025	9.5
111.00854	1.1
113.02440	0.7
113.07169	0.5
119.04965	0.3
120.05279	0.3
121.02998	0.3
126.03026	0.3
129.01894	0.3
131.03542	0.3
133.01498	0.4
143.03511	0.4
151.02592	100.0
152.03015	1.9
161.04565	0.3
163.06117	1.7
167.03485	0.3
180.11353	0.6
181.07164	2.0
187.02466	0.6
198.12509	0.4
223.08269	0.7
271.88586	0.3
283.06787	19.9
283.09518	1.8
283.26395	13.3
284.07129	1.0
284.12500	0.8
284.26620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.3
59.61948	0.2
70.93593	0.5
70.93927	0.4
91.52481	0.3
93.03426	0.7
94.66814	0.3
96.75192	0.3
101.02428	0.5
117.03442	4.6
119.05009	64.1
120.05347	2.2
121.02947	1.0
135.04501	0.4
145.02930	5.9
163.03984	100.0
163.55107	0.3
164.04327	4.7
205.15395	0.3
213.51009	0.3
223.08162	0.4
268.03857	0.4
283.09705	13.2
283.19168	1.2
283.26364	10.8
284.09988	1.6
284.26712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.3
59.61948	0.2
70.93593	0.5
70.93927	0.4
91.52481	0.3
93.03426	0.7
94.66814	0.3
96.75192	0.3
101.02428	0.5
117.03442	4.6
119.05009	64.1
120.05347	2.2
121.02947	1.0
135.04501	0.4
145.02930	5.9
163.03984	100.0
163.55107	0.3
164.04327	4.7
205.15395	0.3
213.51009	0.3
223.08162	0.4
268.03857	0.4
283.09705	13.2
283.19168	1.2
283.26364	10.8
284.09988	1.6
284.26712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01388	0.4
57.03440	4.5
59.01371	5.9
63.53178	0.3
64.01173	0.4
71.01369	6.5
71.60104	0.5
72.99301	2.1
73.02937	1.5
75.00868	1.5
78.95900	1.7
83.01376	1.3
83.55955	0.4
85.02932	1.4
89.02439	4.8
96.96964	0.5
101.02431	100.0
102.02760	1.9
103.00341	1.0
103.04005	0.6
106.77066	0.4
110.09082	0.3
113.02431	1.0
119.03479	1.3
131.03491	0.7
132.43111	0.4
133.04990	0.5
139.85699	0.4
146.83879	0.4
150.04208	0.4
151.02579	2.1
163.06105	2.2
181.07155	37.2
182.07471	1.4
194.03088	0.4
283.09998	0.7
283.26425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.8
59.01373	13.3
71.01380	6.3
71.60017	0.6
72.99323	0.7
73.02938	2.2
78.30061	0.6
78.95917	0.6
79.20090	0.7
83.01367	0.8
85.02943	2.1
88.53568	0.7
89.02448	7.1
101.02434	100.0
102.02753	2.0
113.02433	2.1
114.23742	0.6
119.03456	2.3
121.05061	1.8
133.01520	0.8
150.04231	2.0
151.04596	1.0
161.04564	1.3
163.06163	3.1
179.05586	0.7
181.07153	37.9
182.07593	1.1
221.03766	1.7
223.08260	1.0
239.62659	0.7
244.05113	0.7
283.10379	2.5
283.26379	18.7
284.26672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84074	0.6
55.01867	0.7
57.03445	5.5
59.01373	21.2
71.01379	14.5
71.60543	0.7
72.99305	1.8
73.02943	3.5
74.99082	1.7
75.00859	0.9
83.01379	2.8
85.02930	3.6
87.00875	1.5
89.02437	15.2
95.01382	0.9
99.00845	0.8
101.02435	100.0
102.02768	2.9
102.98587	2.3
103.00346	1.7
113.02434	4.3
119.03504	4.7
121.05082	6.2
131.03427	0.8
135.04533	4.1
143.03458	1.1
149.04546	0.8
161.04552	4.0
163.06125	2.1
164.04831	0.9
179.03426	1.1
179.05638	2.7
179.07079	0.8
181.07153	36.2
182.07561	0.8
193.04961	0.8
223.08110	1.1
245.28972	0.6
283.10577	10.2
283.26398	8.7
301.01874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1183
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
55.01865	4.0
59.01377	26.0
69.03448	17.2
69.42017	8.4
69.42448	5.8
71.01372	7.9
75.60150	1.7
79.05519	44.0
81.03458	6.3
83.05020	9.4
93.57104	1.7
95.01374	2.0
95.05014	31.8
97.02954	9.8
97.06585	68.8
98.06861	2.1
107.05016	10.2
109.02964	4.5
109.06567	2.6
110.03751	5.1
111.04526	5.1
113.02389	1.9
114.66385	1.6
123.04505	17.4
125.06077	18.9
127.07645	2.6
141.05540	12.0
145.02936	4.6
159.11795	2.4
163.06104	4.3
164.83527	1.9
177.12828	2.8
203.10779	10.1
221.11716	4.6
224.10362	1.9
230.84134	1.7
239.12860	16.4
265.10742	10.1
283.11853	100.0
283.15393	6.4
283.26395	75.9
284.12097	7.7
284.26721	6.7
298.24451	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	283.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03430	3.2
59.01370	21.1
68.29210	1.5
69.03451	9.7
69.39487	7.8
69.39890	3.0
71.01370	6.1
79.05523	60.7
79.29246	1.4
81.03454	4.5
83.05019	7.6
94.50127	1.3
95.01385	2.5
95.05016	24.7
97.02934	4.3
97.06579	100.0
98.06932	3.7
101.02421	2.6
107.05026	6.1
108.15873	1.5
109.02943	1.8
109.06594	2.6
110.03719	3.8
113.02465	1.5
123.04543	2.9
125.06076	21.5
136.34460	1.6
139.68494	1.3
141.05579	29.8
151.11246	1.4
163.06119	2.1
165.09242	1.4
171.38385	1.4
177.12817	3.0
223.08221	2.2
239.12869	53.8
240.13235	4.4
279.69940	1.6
283.06677	2.0
283.11868	54.6
283.15131	2.6
283.26392	66.5
284.12326	3.0
284.26736	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	283.1183
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
55.01861	1.5
57.03451	1.9
58.00587	2.0
59.01371	43.6
64.04140	0.8
69.03450	10.1
69.92976	3.9
71.01360	1.3
71.05007	2.1
79.05523	22.3
80.02677	1.4
80.05846	1.0
81.03432	3.4
83.05022	3.6
87.00869	1.5
95.05012	14.5
96.02185	1.2
97.02939	13.1
97.06578	29.4
99.04523	1.1
101.02428	1.6
101.55332	0.9
106.06634	2.0
107.05014	5.8
108.02148	1.0
108.04530	2.5
109.02930	2.4
109.06578	3.0
110.03719	3.0
111.04500	3.5
112.93699	0.7
113.02451	5.0
121.06570	1.5
123.04502	9.5
123.08100	0.9
124.04029	1.1
125.06070	12.1
126.06877	1.5
127.07627	3.5
134.06113	3.2
136.07651	2.3
137.06052	1.8
141.05565	5.5
144.06622	1.3
149.06111	0.9
151.11235	0.9
152.07112	1.5
157.86229	1.0
159.11763	1.1
160.07632	3.5
161.09708	2.7
164.07054	1.0
166.08720	2.7
177.09206	2.0
177.12859	4.4
178.08720	5.0
179.07094	1.0
179.10838	1.5
180.06636	2.4
185.08185	8.0
192.10300	3.1
194.08167	1.4
195.13855	1.5
196.09721	4.7
196.63057	0.9
203.10712	4.4
208.09631	1.3
221.11795	2.8
223.09752	1.3
234.07741	1.0
239.12834	10.3
240.12579	1.0
257.23801	1.0
265.10764	4.3
283.11835	100.0
283.26395	18.6
283.64005	1.0
284.11411	37.0
284.26630	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	283.1548
Annotation	Dendronobilin L
Peak:m/z	Relative Intensity
59.01374	100.0
60.01714	0.7
67.36171	0.4
69.42238	2.7
69.42635	0.8
83.84893	0.4
87.00874	1.0
98.19813	0.7
101.75690	0.4
109.02979	0.5
161.09737	0.5
167.03491	1.4
169.39165	0.4
178.64612	0.4
195.02979	2.7
223.02408	0.8
223.13385	0.5
283.11935	0.7
283.26331	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	284.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20419	0.7
52.84060	0.7
56.22797	0.7
59.01370	5.3
61.98823	100.0
63.31318	0.8
71.01367	2.0
71.60479	1.2
71.60890	0.8
75.00851	1.6
78.95894	26.8
85.02934	0.9
92.39927	0.9
96.96001	1.0
96.96953	7.3
101.02451	2.1
102.01996	2.1
108.02182	1.7
109.02985	1.0
111.00877	0.8
112.98769	1.1
119.05047	2.6
120.99638	5.3
123.00910	1.0
123.04578	0.9
132.03026	1.6
137.02403	1.0
139.00349	5.4
151.02629	0.8
151.03993	0.7
152.01190	1.5
152.91681	0.7
153.01965	1.1
164.33847	0.8
180.00700	1.7
267.01367	1.5
284.09839	6.7
284.12512	0.9
284.26730	12.4
284.29614	1.0
285.02838	0.8
285.06213	2.6
285.10352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0395
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.65793	0.1
63.02385	0.8
64.99985	0.2
65.00317	2.5
68.99795	0.1
72.17522	0.1
77.03960	0.1
81.03458	0.2
83.01381	1.6
93.03464	0.2
98.19844	0.2
105.03459	0.9
107.01379	4.7
108.01683	0.2
109.02880	0.1
118.31017	0.1
119.05014	0.1
121.02939	1.1
122.24835	0.1
132.02171	0.5
133.02937	26.6
134.03241	1.0
143.04990	0.4
145.02951	0.1
145.06577	0.1
147.04521	0.3
148.01628	0.1
149.02426	3.5
150.02736	0.2
151.00356	9.0
152.00708	0.2
155.04955	0.1
157.06474	0.2
159.04510	0.1
169.06570	0.3
171.04504	0.8
173.02412	0.3
173.05949	0.2
174.03072	0.1
175.03987	5.6
176.04321	0.1
177.01973	0.2
183.04597	0.1
185.06024	0.5
187.03989	0.3
189.05556	0.3
196.05148	0.1
197.06029	0.5
198.03200	0.8
199.03976	3.9
200.04257	0.2
201.01912	1.8
201.05554	0.1
211.03958	0.3
212.04689	0.2
213.05559	0.9
214.02660	0.1
215.03496	0.8
217.05026	2.5
218.05399	0.2
223.03986	0.5
226.02701	0.2
229.04919	0.5
239.03465	0.2
240.04210	0.2
241.05014	1.6
242.02071	0.2
243.02960	0.9
257.04565	0.6
267.02960	0.5
285.04001	100.0
286.04337	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	285.0399
Annotation	Luteolin
Peak:m/z	Relative Intensity
60.10200	0.3
63.02378	1.3
63.71866	0.3
65.00317	2.5
69.78315	0.3
69.84071	1.7
83.01369	1.6
93.03462	0.4
98.19953	0.4
105.03461	0.7
107.01385	4.6
121.02966	1.1
127.06727	0.3
132.02164	0.5
133.02937	25.7
134.03308	0.7
135.04539	0.4
143.95442	0.3
147.04457	0.5
149.02420	4.0
151.00356	8.7
152.00629	0.4
165.53647	0.3
169.06664	0.4
171.04471	0.6
173.02385	0.4
175.03998	5.6
176.04262	0.4
185.06049	0.7
187.03879	0.3
197.06096	0.9
198.03171	0.7
199.03964	4.0
201.01935	1.3
204.77325	0.3
211.03851	0.3
213.05470	0.8
215.03580	0.4
217.05006	2.7
223.03893	0.6
229.05197	0.4
239.03363	0.4
241.05054	1.1
243.02936	0.6
257.04578	0.8
267.02969	0.4
285.03998	100.0
286.04340	8.8
287.59235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78650	0.3
53.03456	0.3
59.01381	1.2
60.29795	0.3
71.60481	0.4
74.43109	0.3
78.95892	36.8
83.94894	0.3
85.02928	0.4
90.85497	0.3
93.03451	0.6
95.01414	0.3
96.96945	100.0
103.04034	0.3
104.53847	0.3
108.02154	13.6
108.51562	0.3
109.02969	2.1
119.04967	0.9
120.99625	2.0
121.02963	0.4
123.04494	0.6
149.02370	0.7
151.03954	0.3
152.01128	9.5
153.01920	4.2
163.03952	0.5
167.03398	0.9
168.98978	1.2
208.00055	0.4
239.01765	0.3
267.01376	0.6
284.26715	0.6
285.06000	10.7
285.20541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	6.5
62.36768	2.1
70.34537	8.7
72.00894	3.6
74.02463	3.2
74.05630	2.6
75.00861	83.7
89.02430	3.5
90.77603	2.2
95.26568	2.2
101.02419	2.7
103.00361	100.0
104.03514	20.5
105.01908	6.5
108.02184	2.4
113.69115	2.9
119.03506	6.2
138.66801	2.2
181.07077	3.0
234.33409	2.5
235.47716	2.2
285.10822	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	285.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96040	0.4
54.27161	0.4
55.01880	1.0
59.01391	1.9
60.04855	0.4
63.81163	0.4
71.61573	0.5
72.99297	5.4
73.02940	1.1
73.60002	0.4
74.99086	0.5
75.00857	0.3
87.00896	0.3
94.64633	0.4
99.00871	0.7
107.05008	0.5
109.02953	0.6
111.09885	0.3
117.01936	0.6
121.02925	2.4
123.04489	2.2
135.04529	1.4
137.02423	7.6
138.03185	0.8
147.04520	0.5
150.03241	0.4
151.03999	1.7
152.04762	3.9
153.05634	2.0
161.02396	2.3
163.03989	5.4
165.05528	4.8
166.06195	0.8
167.02119	0.3
167.03462	1.8
176.04794	1.2
177.01903	0.8
177.05411	0.7
178.02727	0.6
178.06308	3.3
179.03471	40.2
180.03877	1.4
184.03766	2.2
190.02731	0.5
191.03488	5.1
192.04153	1.2
193.05034	13.3
193.08656	0.4
193.54482	0.4
194.05812	28.9
195.06242	1.6
198.14835	0.4
205.05023	4.2
206.05829	2.3
207.06610	1.2
209.08163	51.2
210.08444	3.0
220.95885	0.4
221.08240	2.0
222.05232	0.7
237.07687	2.8
270.07434	0.6
284.26730	0.6
285.09760	100.0
286.10120	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	285.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43625	0.4
59.01369	1.5
59.34243	0.5
72.99306	6.1
73.02930	1.4
99.00883	0.9
99.95800	0.5
103.08507	0.4
107.05016	0.7
121.02946	3.3
123.04461	1.0
135.04533	1.0
137.02431	7.3
138.03227	0.6
141.53001	0.4
151.03961	1.4
152.04810	4.6
153.05530	1.8
161.02423	1.8
163.03981	5.6
165.05554	4.6
166.06332	1.1
173.02390	0.9
176.04718	1.2
177.01938	0.7
178.02698	0.8
178.06325	4.1
179.03468	40.8
180.03867	1.9
184.03754	2.7
190.02693	0.6
191.03471	5.5
192.04189	1.5
193.05029	14.2
193.08716	0.8
194.05806	26.9
195.06284	1.4
203.03084	0.5
204.04140	0.8
205.05034	4.6
206.05873	2.5
207.02924	0.5
207.06529	1.6
209.08159	55.6
210.08546	3.2
221.08168	2.1
237.07643	1.6
239.09221	0.4
265.07062	0.7
284.26852	0.6
285.09753	100.0
286.10095	6.9
305.66904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01716	1.0
70.29781	1.7
71.01381	1.5
71.36870	0.5
72.99303	1.6
80.37424	0.5
83.04999	4.3
86.16689	0.5
89.02438	1.7
98.19956	0.6
109.90893	0.5
113.02493	0.6
119.03545	0.7
119.04218	0.9
119.05019	13.5
120.05357	0.8
120.99645	23.6
121.02940	0.6
121.99963	0.7
123.04446	0.5
137.02444	1.5
151.04057	0.8
152.04773	1.1
153.05545	0.7
162.36949	0.4
163.04015	3.6
165.05533	1.1
178.06313	0.6
179.03487	8.5
179.05150	0.8
193.05022	2.7
194.05803	5.7
199.13274	0.5
205.05032	0.8
207.14925	0.7
209.08173	10.8
225.16060	13.0
226.16374	0.7
237.07475	0.6
285.09784	16.6
285.12946	0.8
285.27133	0.7
286.10077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2067
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.53167	0.4
55.66330	0.3
56.41238	0.3
57.03435	0.8
70.11931	0.7
70.12322	0.8
80.76099	0.4
88.60392	0.3
93.78943	0.3
97.06604	0.7
111.08152	0.5
113.09668	0.6
115.85254	0.4
122.98698	0.4
127.11252	0.8
139.11296	1.4
141.12793	0.7
144.59805	0.3
155.14380	1.2
211.20720	0.6
215.26982	0.4
221.19145	0.5
239.20129	1.0
241.21730	0.6
246.17693	0.3
265.18036	0.5
267.19638	2.3
283.19275	0.5
285.20667	100.0
286.21002	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	285.2068
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
53.47384	0.3
59.01372	100.0
60.01715	0.6
71.61062	0.4
78.95891	0.9
99.04510	0.4
104.92225	0.3
111.08146	4.2
113.09716	9.5
119.93253	0.3
127.11249	0.3
152.91739	0.9
181.15953	0.4
221.19066	0.4
225.18552	0.7
239.20209	0.6
267.19690	2.2
285.03879	1.1
285.20667	89.9
286.21014	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	285.2068
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
51.17868	0.6
52.44468	0.6
53.69698	0.6
57.03449	0.8
59.01370	7.3
61.98830	3.9
65.00309	0.7
68.80637	0.6
71.18848	1.7
78.95889	1.0
89.49870	0.6
93.37873	0.7
103.71132	0.6
107.01384	1.3
121.02914	1.2
133.02963	4.8
149.02383	0.9
151.00323	1.7
152.91747	3.4
175.03909	0.8
186.95720	1.0
192.92590	0.6
194.92738	0.9
201.01897	0.9
203.02306	2.2
214.99966	0.7
223.20638	60.5
224.20992	4.8
241.21686	1.3
267.16666	1.6
267.19592	33.2
268.19925	3.1
285.04031	24.4
285.20667	100.0
285.27176	2.2
286.04242	1.8
286.20920	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	286.2384
Annotation	Prosopinine
Peak:m/z	Relative Intensity
52.76744	0.3
53.97422	0.3
59.01352	0.6
61.98829	1.9
62.64431	0.3
69.32853	0.4
70.02962	0.8
71.27472	0.4
71.27818	0.5
74.06086	1.8
76.97398	0.3
77.89812	0.3
88.17654	0.3
115.16492	0.3
118.05065	0.9
240.23306	3.0
242.21190	1.7
242.24974	0.4
249.93559	0.4
268.22766	0.9
286.04404	2.2
286.23825	100.0
287.24283	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	287.0558
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
63.02381	2.3
63.33649	0.4
65.00314	13.4
65.03938	0.4
69.25153	0.7
69.25562	3.4
72.66883	0.4
75.43930	0.4
79.70420	0.3
79.92319	0.4
81.22905	0.4
83.01380	5.6
87.70570	0.4
98.19863	0.6
107.01375	16.7
107.05005	1.9
108.01690	0.5
109.02936	2.4
116.66031	0.4
120.34215	0.4
125.02432	3.9
127.19283	0.4
134.03706	1.6
135.04507	100.0
136.04845	3.9
144.05707	0.4
151.00349	88.9
151.78462	0.4
152.00665	2.7
161.02425	0.8
165.01933	0.6
169.01396	0.9
177.01859	0.9
194.78685	0.4
216.44769	0.5
216.75154	0.4
269.04672	0.7
287.05579	15.3
288.05939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94905	0.4
59.01414	0.4
69.80460	2.3
86.92764	0.3
100.91362	0.4
111.04548	0.7
113.06091	0.4
117.07765	0.4
121.02944	0.5
125.00702	0.4
129.05591	0.6
130.08971	0.4
151.04013	0.5
153.00143	4.8
154.00926	20.7
155.01292	0.7
157.47418	0.5
167.01752	0.7
169.03304	1.4
184.01973	100.0
185.02310	4.9
199.04318	92.1
199.62897	0.4
200.04636	4.5
282.22534	0.4
287.05981	5.3
287.09351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37921	11.2
55.38222	13.3
59.01374	66.2
71.01383	23.1
71.61519	14.0
72.99311	24.6
85.02964	17.0
87.00835	20.7
95.04975	13.4
101.02419	15.1
101.26019	14.7
105.01917	34.2
111.06975	11.6
118.98042	14.4
120.99655	55.5
122.15620	11.9
125.02444	100.0
137.02469	14.1
161.04730	12.3
187.21877	12.5
287.08862	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37921	11.2
55.38222	13.3
59.01374	66.2
71.01383	23.1
71.61519	14.0
72.99311	24.6
85.02964	17.0
87.00835	20.7
95.04975	13.4
101.02419	15.1
101.26019	14.7
105.01917	34.2
111.06975	11.6
118.98042	14.4
120.99655	55.5
122.15620	11.9
125.02444	100.0
137.02469	14.1
161.04730	12.3
187.21877	12.5
287.08862	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
69.69140	6.7
72.99308	6.1
75.00848	1.8
79.74008	0.9
94.52132	1.0
98.19868	1.8
104.03564	1.5
105.01924	100.0
106.02248	1.2
111.01976	2.6
123.06288	1.1
134.65305	1.0
134.66431	1.0
150.03250	1.9
163.75398	1.3
180.04187	1.5
193.05048	1.1
195.01321	1.4
236.57993	1.1
284.32571	1.2
286.61560	1.0
287.02554	3.8
287.07553	1.2
288.07938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1496
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03432	1.2
59.01372	100.0
60.01708	1.0
60.99334	0.5
67.25382	0.5
69.58118	3.3
69.58520	1.0
78.39166	0.6
82.96014	0.5
87.64506	0.5
98.20580	1.0
99.04521	1.9
113.34784	0.6
124.82410	0.5
165.12758	1.2
193.65709	0.5
207.13832	3.3
209.11777	6.2
225.14908	5.0
227.12851	49.4
228.13148	2.9
251.12845	1.5
269.13901	16.2
270.14249	1.1
287.14960	94.2
288.15305	6.0
309.96515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2224
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
55.24476	0.4
70.89184	0.9
99.08170	1.9
129.09164	0.8
131.55313	0.4
141.12837	2.1
146.48790	0.4
155.14388	0.5
161.30658	0.5
227.59465	0.4
231.76337	0.4
241.21710	0.7
246.46320	0.3
262.12167	0.4
269.21234	2.9
285.20697	1.5
287.22244	100.0
288.22583	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	288.1601
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01374	1.2
71.62451	0.3
80.00144	0.4
81.03455	1.7
92.05074	0.9
93.03444	1.5
107.03768	0.6
108.02164	0.8
108.04543	6.0
109.02936	5.5
115.16738	0.4
121.02934	0.4
123.60582	0.3
124.01682	0.3
127.23471	0.3
134.01672	0.6
134.02463	35.6
135.03275	8.9
136.04024	42.1
137.02444	1.8
137.04375	1.3
148.04013	0.9
149.04855	1.4
149.06239	0.3
149.45354	0.3
175.79584	0.3
176.03493	4.0
177.04153	0.6
181.03770	0.6
190.05081	0.6
260.16629	0.4
286.77109	0.3
288.16013	100.0
289.16306	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	289.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40730	0.4
59.01362	1.3
59.16966	0.4
70.71895	0.9
70.72233	0.4
71.01363	1.2
73.02946	0.3
75.23981	0.4
78.95892	5.8
79.95703	0.5
84.66673	0.4
85.02943	6.2
87.00875	1.8
92.33279	0.3
93.03474	2.7
96.95997	16.6
96.96952	13.0
109.02895	0.6
111.04525	1.5
112.98791	0.4
115.39793	0.4
120.99665	5.1
124.73775	0.4
127.03999	1.3
128.03546	0.9
142.99850	2.6
152.36526	0.4
173.00905	2.0
173.04482	0.8
191.05594	100.0
192.05954	4.1
245.33583	0.5
289.03491	1.3
289.07010	0.4
292.37439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.7
59.01370	4.5
70.35010	1.9
71.01374	1.6
74.43365	0.6
76.25925	0.5
79.87577	0.5
88.04002	0.9
89.02432	1.5
91.04009	2.9
96.61850	0.5
97.06597	0.9
111.08144	3.5
115.00331	0.7
116.13109	0.5
125.09713	9.7
126.10091	0.6
127.11290	2.2
132.02925	0.6
139.57426	0.6
143.10750	16.7
144.03032	1.2
150.07896	0.6
153.09181	2.5
171.10242	100.0
172.10564	5.1
173.08160	6.1
187.09796	0.8
199.22536	0.6
215.09181	7.0
261.23373	0.6
289.12878	75.7
290.13193	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	289.1807
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
57.03426	2.7
59.01381	4.5
65.03958	0.9
67.01870	0.8
67.05514	2.1
69.03440	1.1
69.23209	6.5
83.04982	1.6
83.86098	0.7
93.03459	3.1
97.06596	0.8
106.04178	0.8
107.05031	1.3
109.06578	11.4
111.08152	5.3
114.81897	0.8
119.05002	0.8
121.06531	1.3
126.98361	0.6
128.93860	0.7
136.75005	0.7
137.09709	2.1
149.09631	0.9
151.11205	0.8
163.11285	0.8
165.35201	0.7
167.10754	2.0
175.11298	0.8
177.09177	1.2
177.12822	1.6
179.10742	1.7
186.19774	0.7
193.12314	2.1
195.13908	6.9
203.10788	0.7
245.18990	4.8
271.16980	6.1
272.17194	1.1
289.18060	100.0
290.18399	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	290.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94613	2.3
58.02966	8.2
58.04276	1.9
59.01352	4.4
60.22324	2.1
60.22661	2.5
60.99324	2.6
61.73769	2.3
63.94455	2.9
64.95243	9.9
65.67339	1.9
70.02968	2.5
71.01387	2.7
71.15067	2.6
71.15380	3.2
72.00900	13.6
72.04541	4.9
74.00692	16.2
74.02456	17.4
82.02968	39.5
83.01372	8.3
84.00911	3.6
85.02950	4.6
86.02461	7.1
86.06136	2.5
87.00871	2.7
87.05641	4.8
94.02984	2.6
96.04536	14.0
97.04066	9.9
98.02446	17.6
99.05633	17.5
100.00399	27.0
100.04032	9.5
101.02460	11.9
101.07185	4.0
104.02856	4.2
104.03520	60.6
105.03815	3.0
105.99663	2.8
108.04533	24.0
109.04025	2.5
110.02449	5.7
110.06092	7.0
111.05630	9.8
112.04039	20.6
112.07674	4.8
113.03584	3.8
118.77157	2.0
119.05003	50.7
120.99670	2.5
122.06078	3.7
124.04020	23.5
125.03531	2.8
126.05582	16.1
127.05118	9.7
128.03436	2.3
129.06693	72.2
130.01439	17.4
130.07005	3.8
135.04536	12.4
137.05975	2.5
137.07195	3.7
139.05128	3.1
140.01801	2.9
140.07153	8.8
143.04628	4.1
144.06578	2.5
145.03003	10.7
151.05095	2.1
152.03531	6.7
152.07173	2.9
154.05113	8.5
155.08212	17.4
157.06178	4.9
158.02805	14.0
161.01480	4.2
163.03975	24.6
165.06680	14.5
167.08231	5.4
169.06232	2.6
170.04564	8.3
173.05612	4.9
181.06284	3.0
183.07739	24.1
185.09279	9.1
195.07689	36.9
204.03290	3.5
211.07341	4.1
213.08762	32.8
227.06667	37.4
228.06882	2.9
239.06702	8.7
257.07742	100.0
258.08032	12.2
259.03882	4.4
289.04910	7.9
290.05505	3.5
290.15811	2.7
291.06555	17.0
291.09521	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	291.0871
Annotation	cis-Grandmarin
Peak:m/z	Relative Intensity
60.46891	0.2
61.85769	0.2
65.00315	6.1
65.03951	2.8
67.01881	25.0
68.02215	0.5
68.99805	10.3
69.03452	0.9
71.60890	0.3
73.02933	1.0
81.03446	0.7
81.11111	0.2
82.00574	0.3
83.01368	3.5
88.46396	0.2
92.99799	4.1
93.03424	0.3
95.01369	11.7
96.01699	0.3
97.02946	0.3
97.39972	0.2
99.00875	1.0
99.04504	4.1
100.82629	0.2
101.02428	25.5
102.02773	0.5
106.04254	0.5
107.05015	0.8
109.02961	1.4
110.00088	0.4
111.00864	100.0
112.01170	2.5
113.02444	0.4
119.05045	0.6
125.02428	23.6
126.02776	0.8
127.03994	18.6
128.04343	0.5
137.02162	0.2
137.06061	7.3
138.06448	0.3
139.00352	45.5
140.00694	1.6
143.03476	10.6
144.03833	0.4
153.01915	24.1
154.02229	1.1
171.02963	29.7
172.03296	1.0
200.33395	0.2
231.06573	1.0
259.05991	1.3
263.09189	0.3
291.08691	93.1
292.09042	8.3
292.12103	0.2
306.65347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00313	5.7
65.03954	3.0
67.01883	25.7
68.02218	0.5
68.99803	9.6
69.03436	0.5
70.98826	0.7
73.02937	1.0
81.03460	0.8
83.01384	3.6
92.99799	3.7
93.03434	0.3
95.01374	12.1
96.01749	0.3
97.03030	0.3
99.00871	1.0
99.04494	3.3
101.02431	24.0
102.02782	0.5
103.21021	0.3
106.04275	0.5
107.05016	0.8
109.02964	1.4
111.00867	100.0
112.01140	2.5
113.02465	0.3
119.05047	0.6
125.02431	24.9
126.02768	0.7
127.03997	19.7
128.04346	0.8
137.06078	7.5
138.06473	0.3
139.00357	44.0
140.00691	1.4
143.03471	10.3
153.01915	22.8
154.02255	0.8
171.02960	29.8
172.03340	0.9
189.34035	0.3
231.06572	1.2
259.06070	1.2
263.09219	0.5
291.08698	95.4
292.09027	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	291.087
Annotation	cis-Grandmarin
Peak:m/z	Relative Intensity
60.25628	0.3
61.47820	0.2
64.81629	0.3
65.00311	5.8
65.03959	2.9
67.01883	20.8
68.02194	0.5
68.99806	10.1
69.03452	0.9
73.02940	1.1
81.03432	0.7
83.01368	3.0
85.44030	0.3
92.99799	3.9
95.01374	10.7
96.01736	0.3
98.19836	0.7
99.00888	1.2
99.04524	2.9
101.02431	25.1
107.05029	0.9
109.02958	1.3
111.00865	100.0
112.01192	2.5
118.21615	0.3
121.29549	0.3
125.02428	23.9
126.02783	0.9
127.03996	15.4
128.04298	0.5
137.06070	7.8
139.00357	42.4
140.00719	1.6
143.03476	9.7
153.01913	23.3
154.02281	0.8
171.02966	28.8
172.03302	1.2
231.06572	0.9
259.06018	1.7
291.08694	94.8
292.09033	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0868
Annotation	cis-Grandmarin
Peak:m/z	Relative Intensity
53.58379	0.4
58.79684	0.4
59.00439	0.4
63.85268	0.5
65.00317	6.4
65.03941	2.1
67.01879	21.3
68.02203	0.5
68.99810	10.0
69.03468	0.6
70.15434	1.4
73.02949	1.1
79.05509	0.5
81.03458	0.5
81.81814	0.4
83.01358	3.9
92.99803	3.5
95.01379	11.1
99.00866	1.2
99.04495	3.2
101.02431	23.0
107.05020	0.7
109.02955	0.8
110.00008	0.6
111.00865	100.0
112.01160	2.3
116.30999	0.4
119.05019	0.5
125.02428	24.3
126.02776	0.9
127.03198	0.3
127.03986	14.5
137.06064	6.3
139.00359	43.3
140.00667	1.3
143.03484	10.4
153.01910	22.1
153.53542	0.4
154.02228	0.8
171.02963	27.8
172.03302	1.1
172.10382	0.4
231.06641	0.7
259.06100	1.7
291.08701	94.9
292.08978	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	291.0871
Annotation	cis-Grandmarin
Peak:m/z	Relative Intensity
55.92334	0.2
65.00311	5.5
65.03960	2.3
67.01880	28.1
68.02228	0.4
68.99807	10.1
69.03446	1.0
69.74350	0.7
69.74763	0.7
70.11050	0.2
73.02942	0.9
81.03448	1.0
83.01367	3.6
92.99801	3.5
95.01370	10.4
96.01714	0.4
97.02959	0.5
99.00886	0.9
99.04498	3.3
101.02430	22.9
102.02772	0.4
104.22486	0.3
106.04244	0.6
107.05025	0.7
109.02952	1.4
110.00118	0.4
111.00864	100.0
112.01128	2.1
119.05018	0.5
125.02428	21.4
126.02783	0.9
127.03996	26.4
128.04333	0.8
129.79903	0.2
135.04486	0.3
137.06070	7.4
138.06415	0.3
139.00357	42.9
140.00648	1.4
143.03481	9.8
144.03792	0.3
153.01920	23.4
154.02240	0.8
171.02966	28.8
172.03383	1.4
231.06551	1.1
259.06067	1.6
291.08685	91.1
292.09024	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	291.0872
Annotation	cis-Grandmarin
Peak:m/z	Relative Intensity
51.02398	0.2
51.12561	0.2
58.72506	0.2
65.00317	5.9
65.03960	2.8
67.01885	27.3
68.02218	0.5
68.99810	9.8
69.03453	0.7
69.33356	1.6
69.45596	0.2
73.02930	1.1
76.02229	0.2
81.03469	0.6
83.01377	3.6
88.55011	0.2
92.99806	4.0
95.01379	11.5
96.01712	0.6
97.02957	0.2
99.00880	1.0
99.04504	3.8
101.02437	26.1
102.02792	0.5
106.04205	0.6
107.05012	0.7
109.02942	1.2
110.00104	0.3
111.00871	100.0
112.01157	2.4
113.02403	0.4
119.05029	0.4
121.02935	0.3
122.67400	0.2
125.02435	23.4
126.02757	0.4
127.04002	24.9
128.04341	0.8
136.52702	0.2
136.53754	0.2
137.06071	7.5
138.06488	0.4
139.00360	44.6
140.00700	1.6
142.02757	0.3
143.03485	10.6
144.03841	0.2
146.44708	0.2
153.01924	22.7
154.02231	1.0
171.02971	29.1
172.03371	1.0
174.43736	0.2
183.76381	0.2
231.06561	1.0
259.06079	1.9
263.09247	0.3
291.08710	92.2
291.19327	1.2
292.09073	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0871
Annotation	cis-Grandmarin
Peak:m/z	Relative Intensity
53.00304	0.2
54.12523	0.3
57.89207	0.3
59.01360	0.6
63.75945	0.2
65.00316	5.7
65.03959	2.3
67.01880	21.6
68.02230	0.3
68.99805	9.9
69.03450	0.8
69.67840	1.0
73.02939	1.0
81.03432	0.6
83.01370	3.4
92.37466	0.2
92.38091	0.2
92.99803	3.7
93.03482	0.4
95.01376	10.9
97.02957	0.3
98.20616	0.3
99.00880	1.0
99.04496	3.4
101.02428	23.7
102.02773	0.7
106.04238	0.4
107.05011	0.8
108.02167	0.3
109.02921	1.5
110.00052	0.3
111.00864	100.0
112.01163	2.7
113.02437	0.3
119.05029	0.7
121.02934	0.8
122.81567	0.2
125.02424	22.3
126.02795	0.6
127.03993	16.7
128.04350	0.3
133.19470	0.3
137.05136	0.3
137.06062	8.0
139.00352	44.7
140.00653	1.2
142.02686	0.3
143.03481	10.5
144.03813	0.3
153.01912	21.6
154.02242	0.7
158.26558	0.2
158.78792	0.2
165.12805	0.9
171.02959	28.5
172.03288	1.0
200.32303	0.3
209.04535	0.5
231.06610	1.0
232.50368	0.3
259.06094	1.4
291.08691	92.0
291.19476	3.8
292.09024	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	291.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.3
53.64261	0.2
59.01371	0.5
61.78462	0.3
65.00318	6.0
65.03960	2.7
67.01882	24.6
68.02243	0.5
68.99809	10.3
69.03447	0.8
69.53589	1.3
69.54002	0.8
73.02941	0.6
81.03446	0.4
83.01379	3.4
85.02944	0.3
87.56653	0.2
87.57275	0.3
92.99807	3.3
93.03484	0.3
95.01374	10.9
99.00883	1.1
99.04498	3.2
101.02435	23.0
103.19640	0.3
104.21899	0.3
106.04245	0.6
107.05010	0.8
109.02924	1.4
111.00870	100.0
112.01152	2.3
113.02428	0.3
117.50386	0.3
119.04962	0.5
125.02435	21.6
126.02790	0.8
127.04000	20.7
128.04321	0.5
132.72528	0.3
135.04401	0.3
137.06068	6.9
139.00365	43.6
140.00700	1.2
142.02689	0.3
143.03490	10.2
144.03801	0.4
153.01927	21.1
154.02243	0.8
167.91248	0.3
171.02983	25.9
172.03299	1.4
186.12982	0.2
231.06566	1.0
231.13924	0.3
259.06158	1.5
263.09247	0.4
291.08707	89.9
292.09052	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	291.1961
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.46550	0.6
50.61441	0.8
53.08077	0.6
58.60881	0.6
79.02242	0.7
85.17320	0.7
87.40932	0.7
121.27717	0.7
150.10504	1.5
163.11270	0.9
165.12830	19.3
166.13139	1.1
241.74313	0.6
247.20650	8.4
273.18625	6.1
291.19623	100.0
292.20029	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	291.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15574	0.7
57.03449	1.4
71.32555	1.1
93.07092	1.2
97.06590	1.1
111.08123	3.7
121.10217	11.4
125.09698	5.8
136.03539	0.8
158.60719	0.8
163.11263	1.1
185.11792	10.9
195.13837	1.8
197.11748	2.6
209.11885	1.0
211.13318	1.2
223.13483	1.1
247.20622	1.3
291.19620	100.0
292.19992	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1963
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
59.01360	7.9
61.98824	3.5
70.66130	1.6
71.01385	2.4
71.62615	2.3
73.02934	3.8
79.95719	2.7
91.14482	1.5
97.06579	73.3
111.00867	5.6
115.35470	1.7
121.02956	7.1
149.13275	2.1
160.97696	1.7
165.12761	1.8
183.13881	3.1
193.12309	25.8
194.13110	3.2
209.04541	5.1
210.90686	1.8
211.13370	57.5
212.13693	3.8
219.34598	1.8
263.20087	4.1
273.18573	5.4
291.08838	3.9
291.19653	100.0
291.22864	4.0
292.20148	8.2
313.15115	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	291.1963
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.27617	0.6
59.01376	1.0
60.69007	0.5
66.68616	0.7
70.02186	2.0
70.02601	0.9
73.02940	47.3
74.03285	0.6
77.87533	0.5
98.20527	1.0
111.00860	4.1
119.05052	1.4
121.02924	0.9
125.02439	1.3
127.04031	1.3
139.00319	1.7
153.01801	0.7
165.12828	1.1
171.02989	0.8
209.04347	0.5
212.90216	0.5
269.93597	0.6
290.93402	0.5
291.08777	4.1
291.19629	100.0
292.19965	8.6
314.38977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.5
59.01372	3.5
61.98796	0.4
69.03434	0.4
69.33331	2.7
69.93650	0.3
71.01340	0.3
71.05013	31.1
72.05343	0.6
73.02912	0.3
75.79963	0.4
77.54759	0.3
83.05000	0.6
97.05948	0.5
97.06580	9.5
99.08170	0.3
106.80741	0.3
107.05058	0.4
109.84015	0.3
111.00871	1.0
112.98559	0.3
121.02906	1.2
121.10192	0.8
123.08133	0.8
125.09633	0.5
133.06590	0.7
139.00284	0.4
157.12317	0.5
163.14905	0.6
165.12813	0.4
173.49953	0.3
175.14891	0.9
181.12352	1.7
185.11755	0.8
193.12297	0.7
193.15852	0.7
195.13852	0.5
205.12317	0.4
207.13860	3.0
209.04524	0.8
217.15932	0.5
219.13896	3.9
235.17014	3.8
236.17331	0.4
247.17032	0.5
247.20607	2.7
273.18649	1.7
291.19617	100.0
292.19958	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	291.2326
Annotation	Grevillol
Peak:m/z	Relative Intensity
58.95403	1.0
61.98823	5.4
68.99561	2.2
76.17921	1.0
111.00844	2.0
112.98531	2.7
121.02950	3.3
133.23549	1.1
151.08501	1.5
151.86893	1.3
153.01849	1.3
157.17102	1.1
161.80965	1.4
177.92616	1.1
209.01361	1.6
209.04401	1.7
229.46529	1.5
260.46002	1.2
289.07614	1.2
291.09048	33.9
291.20026	4.7
291.23245	100.0
292.09119	5.0
292.23514	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	292.1917
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.95668	0.5
58.02981	0.6
59.01373	4.1
70.05301	1.6
71.01396	1.0
96.96024	0.5
103.62316	0.4
105.64308	0.5
152.91731	2.0
156.13924	100.0
157.14259	4.6
194.92751	0.8
200.12935	4.1
205.12404	0.5
220.14624	5.2
221.15460	9.1
232.87419	0.9
233.10239	1.1
236.10558	6.6
250.88499	0.8
292.09470	0.5
292.19855	2.9
293.17615	2.1
293.21167	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.4
71.01363	1.0
73.59000	0.6
75.06522	0.7
89.02403	0.8
111.00858	0.9
112.01152	0.7
146.57373	0.6
152.91714	1.5
156.13919	100.0
157.14287	4.8
177.09299	0.9
192.11554	1.0
194.92824	1.3
200.12869	4.4
205.12468	0.9
220.14653	6.7
221.15448	11.7
229.28252	0.7
232.87363	1.1
233.10382	1.0
236.10553	8.6
256.41138	0.8
282.58990	0.7
292.19995	8.6
293.17514	1.8
293.21143	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63559	0.6
57.22450	0.5
59.01371	3.2
69.90513	1.1
69.90923	1.6
71.01373	1.5
73.02945	0.8
78.95894	92.2
85.02947	1.0
89.02415	1.1
92.81930	0.4
101.02434	1.5
110.98516	100.0
113.02424	2.1
119.03482	0.7
126.09527	0.5
158.81836	0.5
229.05832	0.6
293.08878	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	293.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60132	1.0
73.90705	0.7
74.31869	0.6
75.58501	0.6
78.95892	89.6
80.50437	0.6
82.66631	0.6
103.48818	0.6
110.98515	100.0
112.83813	0.7
115.80255	0.6
149.59953	0.7
165.33617	0.6
196.89211	0.8
201.35446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1028
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
57.03437	3.1
58.87912	1.6
59.01368	3.8
67.01869	2.4
69.03452	3.8
71.01382	2.4
71.61552	1.8
74.02444	2.9
78.94291	1.9
79.05516	3.8
80.96501	2.1
82.02953	1.9
83.01343	2.2
83.05025	5.2
85.02946	5.7
88.63724	1.5
89.02454	1.9
93.03435	1.9
95.01377	2.4
95.05007	11.7
96.96001	1.8
97.02937	18.1
97.06552	2.1
97.93374	1.7
99.04537	2.8
101.02424	1.7
104.03536	2.2
107.05020	7.5
109.02923	15.5
109.06584	11.4
111.04490	21.0
111.08129	3.0
112.04056	2.1
121.06600	12.1
122.03727	60.8
124.05287	31.4
125.06065	7.3
126.05611	1.7
133.06557	1.7
135.04500	15.0
135.08154	2.5
136.05289	6.7
137.06064	28.9
138.06863	18.6
139.07642	100.0
140.07962	3.1
145.10336	2.7
147.08054	3.9
149.06078	2.5
157.06560	4.1
159.65878	1.8
163.07640	4.3
163.11292	6.1
166.05521	1.8
169.10234	2.2
171.08128	13.9
172.08841	3.5
175.07549	2.7
177.12848	3.0
181.08702	10.5
185.09731	5.6
187.11247	74.4
188.11629	6.5
189.09256	7.9
190.09985	12.4
203.10736	4.0
205.12320	44.6
206.12697	4.6
231.10258	14.6
249.11266	34.5
250.11633	3.5
257.07895	2.7
286.40390	1.8
293.06903	3.9
293.10318	59.7
294.10577	6.1
294.13583	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	293.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89833	1.3
53.98783	1.2
57.03453	1.3
57.95852	1.3
58.00570	4.9
58.93618	1.3
59.01372	100.0
71.01376	54.7
71.60543	1.8
72.99295	5.5
73.02918	2.4
79.93489	1.6
83.01364	2.8
85.02941	8.4
87.00851	2.6
89.02435	70.2
90.01407	1.2
90.02761	1.7
95.01376	3.8
101.02431	38.5
107.48046	1.6
113.02430	21.2
113.06048	3.5
119.03484	33.1
131.03479	2.7
131.07115	4.8
143.03450	2.1
149.04579	2.0
161.04482	2.2
179.05563	2.3
210.94742	1.4
293.12378	82.6
294.12796	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03406	0.8
57.12626	0.5
58.00580	2.0
59.01373	36.9
60.01699	0.6
67.17075	0.6
70.31021	2.2
71.01374	19.4
72.99312	1.6
73.02923	1.1
74.16500	0.6
82.02917	0.6
83.01382	1.6
85.02945	6.9
85.06577	15.8
87.00845	0.8
89.02434	19.4
95.01390	1.4
99.08173	0.6
101.02431	12.5
108.70943	0.8
113.02430	7.1
113.06069	3.6
115.07651	2.4
119.03482	7.8
127.07629	2.1
130.97626	0.6
131.07129	53.9
132.07463	2.1
145.02945	1.0
147.02925	0.7
173.08121	1.6
179.05569	1.3
192.58749	0.5
198.79713	0.6
218.60934	0.6
221.04999	0.6
280.12070	0.6
293.12381	100.0
294.12787	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1756
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
51.19625	0.2
57.39284	0.1
60.43874	0.2
69.91915	0.2
71.01376	9.0
71.31501	0.2
71.31833	0.2
89.02445	0.3
99.08169	0.2
112.14811	0.2
113.72243	0.2
121.10238	0.7
122.87749	0.2
127.07633	0.9
141.41211	0.2
148.05281	0.9
151.07625	0.8
152.91734	0.3
164.08385	1.2
171.10240	1.5
177.09184	5.4
178.09354	0.2
180.08092	0.2
190.09958	0.3
192.11523	7.0
193.12045	0.6
195.13905	0.7
205.12296	7.6
207.13855	1.4
217.08653	0.7
218.09444	2.4
219.09836	0.2
220.14658	50.2
221.15425	100.0
222.15759	7.6
223.13396	0.7
232.87448	0.2
235.13397	1.5
236.10503	69.5
237.10878	5.4
275.20023	2.0
276.20767	0.3
293.17542	10.8
293.21167	10.4
294.11310	0.2
294.17902	1.2
294.21454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.8
59.01377	13.0
61.98817	8.6
63.58605	1.6
64.01315	1.7
68.99555	4.4
71.01352	6.8
71.62247	2.5
77.32634	1.6
89.02423	2.9
93.16286	2.0
93.83826	1.7
96.95972	4.4
112.98574	4.3
117.91938	2.2
129.28874	1.7
136.08919	3.1
143.78874	1.9
152.91704	7.5
171.10239	2.0
187.36057	2.1
192.11502	3.8
193.15945	9.3
194.92773	2.9
197.11736	3.0
205.12276	4.6
209.15523	1.9
220.14647	20.0
221.15414	42.9
222.15790	3.8
232.87370	4.2
236.10458	31.4
237.10866	2.2
249.18480	6.0
250.88625	4.0
263.20102	10.0
275.20117	34.8
276.20554	3.4
293.08514	3.3
293.17587	12.9
293.21121	100.0
294.21585	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
59.01382	1.4
70.89682	1.3
71.01370	1.3
94.20307	0.5
96.95992	0.8
97.06581	0.7
121.10206	0.8
123.08099	0.7
125.09718	3.3
137.99269	0.5
141.12813	1.1
146.54883	0.5
149.09680	1.8
151.11208	0.6
171.10248	1.4
174.48676	0.6
185.11792	7.8
197.11769	1.6
220.14691	3.3
221.15421	5.9
223.13406	1.1
236.10527	5.6
275.20099	3.5
293.21188	100.0
294.18286	0.5
294.21503	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.3
59.01364	4.4
61.98808	0.8
68.05408	0.6
71.01361	1.9
71.08197	0.9
78.95902	0.9
82.34848	0.5
85.70627	0.5
97.01668	0.5
112.98560	1.0
123.08143	1.2
139.11285	0.9
151.11292	1.9
153.09181	0.8
153.12822	0.9
169.12318	2.1
171.10255	0.7
177.12825	0.8
192.11487	1.1
193.15897	1.3
197.11804	32.8
198.12117	2.6
207.59241	0.5
218.09802	0.6
220.14725	3.3
221.15433	8.5
228.34135	0.5
231.21031	1.7
232.87425	0.6
236.10513	6.6
249.18619	0.9
249.22070	1.1
275.20117	23.9
275.23135	1.2
276.20435	2.1
293.21185	100.0
294.21515	10.2
306.38889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.7
70.89587	3.8
98.20621	1.6
121.10217	41.4
122.10568	1.9
125.09672	1.6
163.64444	1.2
165.44969	1.1
166.85315	1.1
171.10242	76.5
172.10634	4.1
183.13940	1.8
183.67885	1.5
185.11789	3.2
204.40657	1.3
204.71994	1.4
231.21158	5.6
275.20105	100.0
276.20398	7.8
282.18948	1.4
293.21188	64.0
294.21506	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	293.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90795	0.6
57.03444	0.7
59.01358	1.3
68.98646	0.7
69.93840	3.2
78.92135	0.6
93.26017	0.6
103.39549	0.6
113.19216	0.7
123.30254	0.7
146.88782	0.6
158.20030	0.7
179.14397	1.1
195.13861	13.7
196.14540	1.9
205.12302	1.5
205.15997	1.0
211.13483	0.8
218.77098	0.6
223.13341	11.5
224.13762	0.9
237.53661	0.6
256.13110	4.8
265.21637	0.7
275.20090	7.0
276.20374	1.0
284.86163	0.6
293.21176	100.0
294.21469	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	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
59.01369	2.4
61.71332	0.2
61.98810	0.4
67.18988	0.2
69.03434	0.4
69.33019	0.2
69.33298	2.3
71.01382	0.8
71.05016	0.2
73.08561	0.2
95.05006	0.3
96.95999	0.3
111.08142	0.8
113.09715	1.0
121.10220	0.3
122.59779	0.2
136.08905	0.8
141.09232	0.5
149.13316	0.3
152.91739	0.8
161.04570	0.3
167.10724	0.6
169.12411	0.3
169.28894	0.2
171.10284	0.6
177.09204	0.3
179.14449	1.3
181.12280	0.2
192.11559	1.1
193.15941	2.2
194.92760	0.5
195.13878	12.3
196.14372	1.5
202.92163	0.2
205.12294	1.3
205.15942	0.6
211.13367	1.1
220.14618	2.1
221.15462	4.5
222.15814	0.2
223.13353	9.8
223.15559	0.5
224.13728	0.7
228.13602	1.4
231.21191	0.6
232.87460	0.3
236.10509	3.0
237.10913	0.4
239.12756	0.4
239.16853	0.2
249.18639	0.8
249.22195	0.3
256.13092	3.4
265.21677	0.5
275.20108	7.3
276.20410	0.6
293.21179	100.0
294.21490	10.3
309.58960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.3
61.98822	0.6
69.03440	0.3
70.75637	0.4
70.75954	0.5
71.01368	1.3
71.04960	0.3
78.95900	0.7
79.95719	0.9
83.05022	0.5
89.02428	0.6
95.05006	0.6
96.96069	0.4
98.19914	0.3
107.02864	0.3
111.08149	0.9
113.09699	0.7
116.29598	0.3
121.10197	0.5
136.08908	0.9
141.49335	0.3
152.91704	0.5
153.48766	0.3
161.04520	0.3
161.09659	0.7
171.10225	0.4
177.09137	0.5
177.12805	0.6
179.14423	1.5
181.12227	0.5
192.11598	1.1
193.15974	1.4
194.92961	0.5
195.13875	12.0
196.14348	0.7
199.50389	0.3
205.12328	1.4
205.15903	0.8
207.13916	0.4
211.13376	1.3
215.14368	1.3
220.14684	2.9
221.15411	7.3
222.15898	0.4
223.13376	8.0
224.13864	1.1
228.13560	1.1
232.87379	0.7
236.10480	4.6
239.12813	0.6
249.13158	0.7
249.18495	0.6
250.88376	0.3
256.13086	3.3
257.88718	0.4
275.20108	6.3
276.20480	0.8
293.21167	100.0
294.21524	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18004	0.6
57.03442	4.8
57.57224	0.6
59.01369	3.3
69.36319	6.1
71.01395	0.9
71.72337	0.6
71.90634	0.7
92.56056	0.7
97.06556	1.1
97.97354	0.7
113.09714	18.2
114.10011	0.8
121.10242	1.7
135.11786	0.9
139.11263	1.6
149.09666	0.7
165.41112	0.6
167.10716	2.0
171.10193	3.5
177.12817	0.9
179.10701	2.0
195.13829	2.7
205.12268	0.8
220.14639	2.3
221.15405	5.9
236.10506	3.5
249.22028	1.4
268.24503	0.7
275.20102	4.8
276.20465	0.8
293.21185	100.0
294.21497	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	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01352	0.7
61.98815	0.5
63.17273	0.3
70.36454	1.4
71.01366	1.0
85.80257	0.3
95.10522	0.3
97.06558	1.2
104.37759	0.4
121.10192	0.5
123.08122	0.8
125.09698	4.1
141.12823	1.3
149.09714	1.8
151.11322	0.4
167.14345	0.3
177.09167	0.6
183.13788	0.5
185.11794	9.8
192.11424	0.6
193.15919	0.4
197.11797	2.3
220.14622	2.0
221.15410	4.2
236.10457	3.3
237.10907	0.4
249.22133	0.6
275.20093	1.3
293.21170	100.0
294.21524	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84876	0.6
59.01370	3.1
63.12313	0.7
70.82996	1.4
70.83363	1.8
71.01373	1.0
85.18651	0.7
123.16245	0.8
127.07583	0.8
157.54889	1.0
171.10283	1.0
209.15318	1.1
221.15338	1.4
231.21144	1.4
246.29005	1.0
263.20093	12.6
264.20410	1.4
265.21729	1.3
275.20111	39.7
276.20401	2.9
284.77441	0.8
293.21194	100.0
294.21490	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
57.08379	0.7
59.01379	1.6
64.56271	0.7
69.60041	4.4
71.01371	1.0
96.96013	1.1
98.20656	1.2
113.09712	4.2
121.10213	1.4
139.11250	2.6
153.12859	0.9
171.10217	1.7
191.18018	2.0
193.15956	0.8
195.13887	1.1
205.12202	0.9
217.50066	0.6
220.14604	3.7
221.15404	7.9
223.13419	0.8
236.10513	5.6
247.20515	1.1
275.20105	3.3
293.21201	100.0
294.21524	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2119
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01375	2.9
59.85821	0.5
60.29569	0.5
61.98812	0.9
66.01421	0.5
71.01369	2.3
71.61282	0.6
78.95856	0.5
89.02460	1.1
96.96000	1.9
103.65894	0.5
113.09718	0.8
121.10242	2.4
123.30150	0.5
126.45224	0.6
152.91711	1.9
171.10281	3.6
177.09186	1.0
179.14314	1.4
192.11534	0.8
194.92699	0.9
195.13870	10.5
196.14323	0.9
196.16206	0.6
205.12244	1.5
205.15887	0.6
211.13428	0.8
220.14662	5.0
221.15428	11.9
222.15718	0.7
223.13353	8.3
224.13847	1.0
228.13666	1.8
231.21097	0.7
232.87437	1.3
236.10519	6.8
237.10986	0.6
239.13113	0.7
250.88463	1.2
256.13120	3.4
275.20105	11.2
293.08853	1.3
293.21188	100.0
294.21530	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	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07236	0.4
55.11835	0.4
59.01365	0.5
67.86816	0.4
69.97984	0.4
70.89622	0.8
71.01370	0.9
79.21371	0.4
81.03461	0.8
82.99683	0.4
87.17385	0.4
110.62711	0.4
110.75331	0.4
121.10224	1.1
149.09689	0.6
171.10284	2.5
179.14395	0.6
181.15991	0.6
192.11560	0.6
193.15923	0.5
195.13818	1.9
220.14725	0.7
221.15399	3.0
223.13390	1.7
225.14969	1.0
236.10478	1.9
249.22212	1.3
256.13309	0.5
275.20053	4.5
293.21179	100.0
294.21509	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	293.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11036	0.7
50.76938	0.7
54.52063	0.8
59.01378	1.7
61.98812	1.6
69.68661	2.4
69.69075	2.6
71.01361	3.4
77.36219	0.9
82.50075	0.9
96.95996	29.2
100.53305	0.8
100.94170	0.9
116.92802	1.0
118.47456	1.1
124.52395	0.8
177.09077	1.8
192.11571	2.3
193.15932	2.7
205.12302	2.4
208.82455	0.9
220.14667	13.3
221.15422	31.7
222.15822	2.7
236.10495	23.0
237.11003	1.5
275.20135	1.0
293.17935	27.4
293.21390	4.1
293.24802	100.0
294.17987	2.9
294.25143	10.0
301.29309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2483
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01358	1.0
61.98796	0.7
62.15712	0.3
71.01380	0.7
71.52179	0.5
96.95994	9.0
112.25022	0.3
127.07592	0.3
145.10538	1.7
178.32533	0.3
192.11511	0.9
193.15868	0.7
205.12369	0.4
220.14647	5.0
221.15428	8.7
222.15764	0.7
236.10504	6.0
237.10890	0.5
275.23749	0.6
293.18060	8.3
293.24802	100.0
294.18274	0.7
294.25104	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	294.1701
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
57.03449	0.1
57.24435	0.1
58.02966	1.6
59.01373	0.2
66.03481	0.1
66.44054	0.1
69.15723	0.1
69.64380	0.6
75.00857	0.1
76.55204	0.1
81.03442	0.2
95.05022	0.4
97.06582	0.3
104.80020	0.1
109.06605	0.2
114.09231	8.1
115.09562	0.3
116.07160	100.0
117.07508	2.5
119.05020	0.1
124.08531	0.1
125.36366	0.1
140.07158	0.1
143.25093	0.1
148.65417	0.1
151.11246	0.2
158.08200	4.5
159.08496	0.1
168.56903	0.1
294.17053	32.9
295.17389	3.3
301.79272	0.1
319.32632	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	295.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25330	1.2
59.01377	22.0
68.99565	70.0
69.03446	1.6
71.01382	9.4
71.22453	2.0
72.99309	2.7
73.02950	1.5
78.95884	4.3
87.00848	2.2
89.02432	7.7
93.70019	1.3
101.02431	16.6
103.00339	1.7
103.04028	1.1
109.01691	1.4
110.02453	1.9
110.98515	2.8
112.98580	100.0
113.02437	6.4
113.99043	2.0
115.00333	4.2
119.03487	3.2
119.04990	1.7
127.00379	2.5
130.99823	11.5
133.01433	6.3
133.05110	2.0
135.04546	1.5
135.44453	1.1
145.05005	1.8
163.03981	1.8
180.06624	2.6
181.07184	5.6
189.20114	1.2
260.05594	1.5
295.06979	1.7
295.10229	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	295.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13662	0.3
57.03438	0.8
59.01373	3.1
59.63866	0.3
60.99274	0.4
67.01888	3.4
69.03463	0.8
71.01385	2.8
81.03433	0.8
83.05022	0.8
85.02940	0.4
93.03450	23.4
94.03792	0.7
109.02930	1.0
111.00894	0.9
111.04513	4.3
112.04811	0.4
116.61634	0.3
121.02944	21.1
135.04539	0.6
137.02441	3.5
146.23117	0.3
148.33287	0.4
155.03462	3.6
160.01651	0.9
163.03925	0.4
164.84184	0.3
173.04527	100.0
174.04872	3.4
175.03946	0.6
179.06905	0.5
191.07085	0.5
193.04929	0.4
207.06679	0.4
223.06075	0.5
223.43246	0.4
295.08191	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	295.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26952	0.3
52.72789	0.3
57.03436	0.7
59.01371	5.5
61.84933	0.3
69.03451	0.8
71.01372	3.3
73.02940	0.5
77.48131	0.3
79.16843	0.3
85.02938	1.2
88.35364	0.3
89.02439	2.8
93.03442	0.7
95.05013	2.2
97.02897	0.5
109.02938	0.4
109.06538	0.5
111.04521	2.3
113.02447	0.6
113.06076	2.8
114.04321	0.3
115.04027	0.5
117.03448	18.2
118.03824	0.4
119.05010	4.7
122.03686	0.5
123.08202	0.8
125.12085	0.4
132.11252	0.4
133.06552	0.5
135.08200	0.4
137.06044	0.8
139.07613	0.5
145.02930	100.0
146.03271	4.6
149.04507	0.5
149.09647	0.8
161.06067	0.9
163.03984	8.6
165.09190	0.7
171.11806	0.9
173.04555	0.9
187.03944	2.1
189.12813	7.9
194.14523	0.4
205.05133	0.6
235.06068	1.2
251.12820	9.4
252.13184	0.7
295.08224	7.2
295.11856	7.2
296.08603	0.7
296.11801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.082
Annotation	Dehypoxanthine futalosine
Peak:m/z	Relative Intensity
54.84159	1.1
57.03441	2.2
59.01373	12.3
64.90737	1.1
65.03955	3.3
66.91644	1.3
67.01887	12.2
69.03446	1.4
69.44839	4.0
69.45246	5.1
71.01372	2.6
72.99272	1.1
75.00866	26.3
77.94624	1.1
80.02670	39.8
81.03447	4.2
82.48082	1.2
83.01379	15.7
85.02951	9.2
93.03438	4.0
95.01362	4.8
96.99307	9.3
97.06575	2.2
98.00059	1.6
99.00877	9.6
107.05025	2.9
108.58485	1.2
109.02939	2.5
111.00850	4.1
112.98802	6.4
116.75824	1.3
119.04978	1.4
121.06570	2.1
123.08137	4.4
125.02419	3.8
129.01955	3.3
132.37762	1.8
135.04445	1.3
136.01703	1.2
137.06030	1.5
139.00357	6.0
147.08163	2.1
149.05988	3.2
149.09705	14.6
151.07607	2.2
153.01910	1.5
163.07614	1.2
165.09157	2.8
181.08702	26.7
182.09065	1.7
193.08669	73.4
194.08984	3.3
207.10202	6.6
221.08191	5.9
223.09612	1.4
242.38300	1.4
251.09212	6.6
263.83484	1.1
269.43402	1.3
295.08176	100.0
295.22711	1.6
296.08466	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.4
58.00577	2.1
59.01375	79.2
63.46464	0.6
68.09959	0.8
69.94292	2.4
71.01380	37.1
71.05026	0.9
72.99290	2.0
73.02928	1.4
75.00873	1.1
78.80627	0.6
83.01382	1.6
85.02940	8.6
87.00867	2.3
87.04504	1.0
89.02438	43.3
90.02782	0.8
95.01371	2.6
98.19974	0.9
101.02438	24.0
113.02438	13.7
115.00337	0.7
115.03990	2.4
117.05544	0.8
119.03498	18.7
119.24916	0.6
120.99638	1.6
131.03491	2.4
133.05061	3.8
134.01959	0.8
143.03471	1.8
149.04510	1.2
161.04475	3.3
179.05588	1.8
181.07153	1.2
207.04770	0.7
207.06909	0.9
235.08197	1.2
295.10312	100.0
296.10715	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03450	1.3
58.00609	1.5
59.01373	100.0
68.99561	2.6
69.47694	3.9
69.48118	2.7
71.01376	28.8
72.99309	1.3
73.02946	6.3
75.00835	1.3
82.82844	0.8
83.01381	2.0
85.02935	13.5
87.00872	2.9
87.14011	0.9
89.02438	20.9
91.91359	0.8
95.01403	1.7
97.02942	1.1
99.00898	1.5
101.02433	19.9
111.02780	0.8
112.98596	2.6
113.02431	12.2
115.04007	3.4
119.03482	6.4
120.99622	1.3
129.01851	0.8
133.05070	3.1
143.03519	1.4
145.05054	2.2
159.02902	1.4
161.04527	15.7
179.05515	1.2
235.08163	14.7
240.90454	0.7
246.87083	0.9
283.69406	0.8
295.10324	37.3
296.10690	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	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56633	0.8
55.01867	1.7
57.03433	1.2
58.00579	3.1
59.01373	87.2
60.01714	1.1
61.52155	0.9
71.01376	41.7
71.37717	1.8
72.99303	3.4
73.02948	0.9
73.22578	1.0
73.54326	0.9
73.94877	0.8
80.08750	0.7
83.01357	2.1
85.02950	7.2
87.00874	2.5
87.88869	0.9
89.02437	48.5
95.01366	3.3
101.02425	24.5
108.30968	0.8
111.19867	0.8
113.02439	14.9
115.04037	1.3
119.03487	22.8
131.03506	1.1
133.05037	1.8
143.03455	1.5
149.04457	0.9
158.52933	1.0
161.04523	2.4
179.05594	3.1
181.07217	1.1
203.03992	0.8
251.74556	0.9
295.10303	100.0
296.10767	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	295.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98819	0.6
63.48432	0.4
71.01367	0.7
71.61255	0.4
96.96015	0.5
98.24075	0.4
116.05052	100.0
117.05391	4.0
118.02975	7.1
122.02495	0.5
122.42694	0.4
123.00882	1.5
127.00375	2.4
127.71077	0.4
130.08749	0.5
130.27724	0.4
138.01961	14.9
138.03053	0.8
139.02283	0.5
146.02463	18.0
147.02798	0.7
150.01956	17.6
151.02455	0.6
178.05074	3.1
206.79752	0.4
210.52686	0.4
280.08548	2.9
295.10922	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	295.2274
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.61197	0.4
59.01360	1.6
59.73135	0.4
70.23770	1.7
89.08091	0.4
155.97414	0.4
265.21631	2.1
277.21750	3.7
293.21133	0.5
295.22733	100.0
296.23090	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97148	0.6
51.84659	0.6
52.38251	0.6
52.44942	0.6
55.41736	0.7
56.96897	0.6
59.01360	1.4
60.64356	0.6
70.28385	2.3
90.92467	0.6
113.09725	1.4
125.74308	0.6
138.83414	0.6
149.25267	0.7
150.36685	0.6
171.10260	2.6
179.14288	0.6
181.97560	0.7
184.01027	0.7
195.13887	13.8
277.21677	19.0
278.21991	1.5
295.22739	100.0
296.23123	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	295.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.7
64.59751	0.6
69.41746	3.7
69.42178	1.7
84.95514	0.7
99.08173	0.5
106.39926	0.6
113.09777	0.6
125.09689	2.0
127.11294	0.8
130.67688	0.6
152.48033	0.7
160.50552	0.7
171.10243	29.7
172.10570	1.4
175.91103	0.6
195.13849	4.3
277.21674	39.4
278.22015	3.5
295.22733	100.0
296.23053	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2274
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.46427	0.4
55.98359	0.4
59.01373	4.3
61.09588	0.4
61.93037	0.4
69.03470	0.4
71.01370	0.9
71.18214	0.8
79.47153	0.4
82.23620	0.4
83.05002	0.8
92.38226	0.4
97.06540	0.4
98.95581	2.3
109.06537	0.5
112.98522	0.6
127.11292	1.1
140.01897	0.4
141.12831	8.9
155.14407	3.6
171.10309	0.7
195.13948	0.7
235.08026	0.5
249.22205	8.9
250.22443	0.7
277.21783	2.3
278.22098	0.5
293.21271	0.5
295.22733	100.0
296.23071	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	295.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60823	0.8
51.67569	0.9
57.03426	4.0
59.01369	19.2
61.01785	0.8
61.98830	1.4
68.99565	5.0
71.01371	1.9
85.30970	1.0
108.25919	1.0
112.98560	4.7
113.02397	1.1
137.09724	1.1
151.13330	1.0
155.14421	6.0
161.04552	1.4
171.10268	5.5
173.69475	1.0
195.13870	1.1
196.92395	1.2
200.95781	1.1
213.14923	1.7
213.18477	2.0
235.08176	1.7
251.23735	2.6
277.21664	8.7
295.22723	100.0
296.23062	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	296.1499
Annotation	Solorinine
Peak:m/z	Relative Intensity
58.02958	0.6
59.01374	0.9
60.97761	0.4
60.99298	2.3
69.63928	2.7
72.00906	6.0
72.04543	10.1
74.02464	100.0
75.02795	0.8
81.03452	1.7
84.04535	17.1
96.04530	0.8
98.02454	1.9
100.04024	0.9
102.05618	0.8
104.03526	46.5
105.03857	0.7
116.03526	12.6
128.69170	0.4
146.04604	0.8
163.77554	0.4
164.81587	0.4
165.12881	0.7
191.10661	0.8
204.13898	1.1
205.74445	0.4
206.65057	0.5
209.11806	1.6
234.14940	1.9
248.13002	1.1
266.13925	41.8
267.14255	4.3
296.14981	49.3
297.15369	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	296.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01426	0.6
57.03424	1.4
58.02959	0.9
59.01340	0.8
60.99303	3.0
63.40810	0.5
72.00896	7.4
72.04536	13.0
74.02463	100.0
75.02817	0.9
81.03437	2.7
84.04539	18.5
84.55158	0.5
90.69416	0.5
94.06631	0.5
95.05035	0.8
96.04535	2.3
97.06577	0.5
98.02461	0.5
98.20627	1.3
104.03522	65.8
105.03844	1.0
109.06561	1.2
116.03517	2.3
120.04498	0.6
125.09730	0.8
149.09711	0.7
149.20966	0.6
165.12804	1.9
167.47520	0.6
188.56435	0.5
191.10718	1.8
195.72745	0.6
204.13899	3.4
206.02084	0.7
209.11806	1.2
221.71840	0.5
222.15053	2.5
234.14998	3.4
248.12802	1.5
266.13922	45.5
267.14267	3.9
296.14978	57.8
297.06042	1.0
297.15274	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	297.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.0
57.03444	10.8
59.01378	18.1
62.39947	3.3
69.03450	6.5
71.01376	37.2
71.09202	8.8
73.02940	48.7
75.00854	19.1
80.07252	3.6
83.01377	33.6
85.02950	23.6
87.00866	61.1
98.20649	4.0
99.00865	86.5
101.02435	87.0
111.00865	43.0
113.02430	63.2
114.16698	3.9
119.05013	6.5
129.01935	33.1
131.03502	17.2
135.02982	38.2
135.04507	12.8
137.06065	100.0
140.03801	4.3
141.01953	8.3
159.02962	42.6
209.51939	4.0
255.13554	3.7
266.34259	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	297.0975
Annotation	Chakanoside I
Peak:m/z	Relative Intensity
55.01869	15.0
57.03436	15.4
59.01373	19.7
68.99800	4.9
69.03439	5.0
71.01373	77.8
72.01683	2.6
73.02941	70.0
75.00854	9.7
78.14124	2.1
83.01376	39.1
85.02939	47.9
87.00862	64.1
89.02457	5.6
92.37986	2.2
95.01366	14.4
97.02947	2.5
98.19839	6.2
99.00238	5.1
99.00867	83.2
101.02435	100.0
106.04146	2.3
111.00871	43.2
113.02437	93.9
114.02727	3.2
119.04972	4.8
120.32698	2.4
123.04514	3.6
129.01935	29.4
131.03487	16.4
133.95274	2.5
135.02945	7.2
135.04532	22.2
137.06064	98.4
138.06383	2.7
141.01888	10.2
159.01695	2.8
159.02972	37.3
177.05493	3.8
203.18500	2.5
215.37500	2.2
290.24228	2.3
297.09747	75.2
298.10034	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	297.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01369	4.1
68.99805	2.8
69.03452	1.3
70.05222	0.7
70.92353	0.7
70.92692	1.7
71.01364	7.8
71.04999	1.8
71.66511	0.6
75.00864	10.7
81.90334	0.6
83.01374	12.4
85.02933	1.3
87.00858	2.3
93.07070	1.5
95.08660	2.3
97.02919	1.1
99.00867	0.9
109.03036	0.8
109.44486	0.7
112.51389	0.7
113.02431	1.0
115.00357	100.0
116.00699	2.5
121.02960	0.7
127.00303	0.8
137.06061	1.0
137.09708	3.2
153.85358	0.8
163.07610	6.3
181.08681	86.4
182.08995	4.0
182.35466	0.7
193.08655	1.8
221.08026	1.0
235.09789	1.1
239.09090	2.6
253.10759	0.8
268.95584	0.7
297.09729	38.1
298.10129	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	297.1186
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01877	1.4
55.56036	1.1
57.03443	1.5
58.00598	1.3
59.01373	100.0
60.01702	1.2
70.04101	3.1
70.04490	2.6
71.01376	42.9
72.99297	2.8
73.02939	6.4
81.03449	1.2
83.01416	1.7
85.02953	14.3
87.00871	3.4
89.02432	51.6
95.01373	3.4
96.08456	1.2
101.02428	25.2
103.03998	2.1
113.02438	19.6
115.03998	2.1
119.03488	18.9
128.21507	1.2
131.03499	2.4
133.05087	6.3
135.06625	15.0
143.03482	4.7
150.03709	1.3
161.04567	12.3
179.05573	17.9
181.07172	2.9
208.28883	1.1
237.09746	8.3
265.58121	1.3
277.27478	1.4
297.08752	1.2
297.11850	31.2
298.12360	1.7
314.76218	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	297.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50085	0.5
54.58871	0.4
58.92620	0.4
59.01370	8.3
61.98811	0.6
63.85221	0.5
66.97219	0.5
71.01387	1.1
71.62032	0.5
74.07881	0.6
76.68437	0.5
76.69100	0.4
79.95734	0.6
84.60693	0.5
89.02440	0.6
101.02401	0.7
161.04552	0.9
183.01172	18.5
184.01953	3.8
197.02711	0.7
201.12990	0.5
201.70680	0.5
216.00896	2.6
219.23830	0.5
237.09772	1.8
251.23775	1.3
279.23242	0.5
297.15253	49.1
297.24295	100.0
298.15604	4.3
298.24637	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	297.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51581	0.6
61.94375	0.6
66.78141	0.6
69.35429	1.7
69.35833	4.4
73.24400	0.5
77.76740	0.6
79.82123	0.6
85.17545	0.6
85.50595	0.6
106.44544	0.6
178.82635	0.7
181.40846	0.7
183.01155	1.8
183.13875	41.7
184.14215	2.3
279.23242	6.2
295.77887	0.6
297.15250	2.5
297.24304	100.0
298.24625	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	299.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65219	0.8
57.23386	0.8
59.01374	44.8
65.03955	1.7
67.01884	22.6
68.99809	16.4
71.01370	2.6
72.99318	0.8
74.02470	2.6
81.03454	1.5
83.05002	1.8
85.02954	2.8
89.02443	4.6
91.05529	12.1
93.03446	4.5
97.02959	1.7
97.06605	1.0
98.19865	2.9
101.02435	23.2
107.05026	2.5
109.02941	1.7
111.00873	10.5
111.04499	7.7
112.02813	2.1
113.02408	1.4
117.03431	2.2
119.03600	2.4
119.05016	100.0
120.05404	3.9
120.06100	0.8
121.02943	3.2
121.17389	0.8
123.04504	1.4
125.02431	1.0
125.06085	2.6
127.04003	48.1
128.04364	1.0
135.04501	7.1
137.02423	9.3
137.06062	1.5
138.05592	0.8
139.00359	22.0
145.02907	1.4
153.05553	30.0
158.21645	0.7
163.03996	27.2
164.04329	1.5
171.02985	1.3
181.05049	1.1
190.32706	0.8
195.06628	1.8
197.04555	2.6
217.00258	1.6
224.12950	1.3
229.57939	1.0
255.17094	1.2
284.03235	9.6
285.03665	0.9
299.05579	7.5
299.09241	26.2
299.16058	3.7
299.18997	1.0
299.26086	1.0
300.09570	2.6
300.57813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0768
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
58.00577	0.4
59.01375	10.8
60.01709	0.4
71.01371	5.9
71.61139	0.4
72.99288	0.6
73.02268	0.3
81.26599	0.3
83.01387	0.4
85.02958	1.3
87.00871	0.3
88.04008	0.5
89.02439	8.1
93.03442	3.5
95.01377	0.5
99.20076	0.3
101.02429	4.1
108.02137	0.5
109.02922	0.7
113.02439	2.6
118.98026	0.5
119.01410	0.3
119.03493	3.7
119.04998	3.7
135.04565	0.3
136.01640	1.1
136.05318	0.7
137.02429	100.0
138.02760	3.6
138.05589	0.5
143.03467	0.6
153.05554	0.4
179.03464	1.0
179.05528	0.4
209.04295	0.3
239.05606	0.7
284.03220	1.9
285.03564	0.3
299.08029	3.7
299.11285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0769
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
59.01373	5.7
69.40321	0.3
69.40730	1.2
71.01374	3.5
71.74510	0.2
72.99285	0.4
81.03448	0.4
85.02936	0.7
89.02436	4.5
89.09287	0.2
93.03428	1.5
95.01416	0.2
98.19904	0.3
101.02420	2.2
108.02179	0.4
109.02935	0.4
113.02428	1.2
119.03503	1.8
119.05007	2.2
125.85826	0.2
136.01631	2.0
137.02425	100.0
138.02753	3.4
140.75085	0.2
178.26302	0.2
179.05569	0.4
183.72835	0.2
217.00215	0.2
239.05798	0.2
259.96115	0.2
266.23636	0.2
284.03339	0.5
299.07700	10.8
300.08035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0922
Annotation	CHEBI:70653
Peak:m/z	Relative Intensity
50.32067	0.3
58.00586	0.4
59.01372	13.5
65.00391	0.3
69.56744	2.1
71.01376	7.2
71.01755	0.4
72.99299	0.6
83.01411	0.4
84.15984	0.4
85.02944	1.4
89.02437	10.8
89.02989	0.6
91.05519	0.7
93.03436	0.4
95.01360	0.5
101.02424	4.5
106.04248	0.4
107.05000	2.0
113.02422	2.8
116.21478	0.4
117.03448	1.1
119.03498	3.8
119.05003	5.2
131.03505	0.4
133.02931	4.0
134.03728	9.6
135.04506	100.0
136.04842	4.4
137.02393	0.7
161.02437	3.3
161.04448	0.5
179.03470	74.0
180.03818	4.2
208.65501	0.4
284.03122	1.0
299.09174	56.4
300.09558	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	299.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	3.0
59.01370	74.7
62.42490	2.5
69.92938	5.7
69.93332	6.3
71.01374	49.6
73.02936	100.0
73.03342	5.3
74.10593	2.4
85.02946	8.1
88.98775	2.6
89.02434	51.8
93.03449	5.2
98.19812	2.9
99.00905	2.9
101.02423	42.9
113.02448	13.6
117.01929	27.6
119.03502	25.0
119.05000	19.3
131.03488	3.8
137.02457	7.9
147.94797	2.5
149.04538	2.9
162.68413	2.8
163.06093	4.6
181.07153	91.8
182.07449	3.8
299.07620	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	299.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78193	0.5
55.01878	1.3
57.03453	1.3
58.00599	2.9
59.01372	100.0
60.01716	1.1
68.60060	0.7
69.78686	2.3
69.79089	1.2
69.89105	0.5
71.01373	54.9
72.99305	3.7
73.02940	0.8
75.00858	0.5
82.47921	0.5
83.01374	2.0
85.02943	9.2
86.76476	0.5
87.00858	2.3
89.02434	87.8
90.02751	1.0
95.01375	3.6
98.20593	1.1
99.00822	0.7
101.02431	36.0
113.02434	22.7
113.03237	1.1
114.02694	0.6
119.03503	36.2
119.05003	39.7
120.03835	0.7
120.05308	0.9
127.56084	0.6
131.03551	2.7
137.06049	3.4
143.03494	4.0
149.04507	2.1
161.04518	2.6
179.05573	4.2
299.11371	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	299.1131
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01868	1.5
57.03440	0.8
58.00578	3.4
59.01372	100.0
59.93575	0.5
60.01709	1.3
69.90349	2.8
69.90749	1.1
71.01373	55.3
72.99300	2.6
73.02931	1.2
83.01376	2.4
85.02951	9.9
87.00893	1.4
89.02433	79.1
90.02776	1.7
91.44391	0.5
92.40669	0.6
95.01383	3.6
97.64677	0.6
99.00857	0.8
101.02431	32.1
113.02436	25.0
113.28477	0.6
119.03499	32.5
119.04996	36.9
120.03784	0.7
120.05322	1.4
131.03464	2.7
137.02402	0.9
137.06068	3.2
138.05606	4.4
143.03477	3.3
149.04515	2.5
151.96721	0.6
161.04559	3.1
179.05589	3.6
231.07751	0.7
299.11258	5.5
322.76834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62808	0.8
52.22995	0.9
57.03445	4.4
59.01366	3.5
69.03443	9.6
71.01373	95.5
71.05000	2.5
71.19254	1.8
72.01706	2.0
73.92640	0.8
87.00874	1.2
89.02438	1.2
101.02457	1.4
111.08148	1.7
113.06045	1.9
114.99523	1.6
115.00356	31.5
118.36523	0.8
119.04988	1.5
127.04012	1.2
135.55827	1.0
139.00352	1.3
139.11273	13.8
153.05435	0.9
153.09271	1.1
160.84802	0.9
183.10231	100.0
184.10558	4.9
271.02606	1.0
284.03320	1.5
299.05765	1.7
299.11447	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	301.0925
Annotation	Isotachioside
Peak:m/z	Relative Intensity
59.01368	0.9
60.41051	0.4
64.05929	0.4
68.41498	0.4
69.82574	2.0
71.01365	4.2
71.24873	0.4
73.02937	1.0
81.99921	0.4
85.02948	2.0
88.31120	0.3
89.02398	0.6
91.23038	0.3
93.03445	0.5
95.01371	6.1
98.19904	0.4
99.00864	0.9
101.02425	2.8
108.02126	0.9
109.02959	1.0
113.02434	2.5
113.16129	0.4
121.02946	1.6
122.03699	0.8
123.00869	100.0
124.01647	3.6
125.02437	0.8
137.02440	3.3
138.03209	66.2
139.04022	13.5
149.02408	2.3
150.03226	0.6
151.04024	2.3
159.02988	0.7
161.04530	4.8
163.01082	0.4
163.03990	1.2
164.81787	0.4
166.02705	2.4
167.74399	0.4
178.02669	1.2
179.03458	0.5
181.05026	7.7
193.04994	2.9
195.70520	0.4
284.72961	0.4
301.09241	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	301.1077
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02384	0.5
59.01371	9.1
59.23487	0.2
63.02398	0.4
65.03946	0.7
67.01876	1.6
67.05506	0.3
68.99807	2.9
69.03447	4.7
69.44307	1.8
71.01337	0.3
74.57848	0.2
75.60801	0.2
77.03958	2.4
85.02952	0.3
91.05519	4.4
93.03450	3.0
93.07083	8.7
94.07408	0.2
95.01392	0.4
95.05014	4.8
103.10297	0.2
107.05005	1.8
108.02180	0.3
109.06586	1.3
111.00867	2.1
111.04508	12.7
112.04862	0.4
113.02419	1.9
117.03471	0.3
119.05013	12.3
120.05344	0.5
121.02943	9.1
122.03728	3.3
123.00881	0.4
123.12292	0.3
135.04523	3.0
137.02487	5.1
137.06064	100.0
138.06418	3.9
148.01651	0.9
163.03983	16.8
164.04359	0.8
181.05034	6.6
182.05341	0.4
183.13875	2.8
233.08153	0.9
247.43069	0.2
301.10690	2.4
301.16599	0.5
301.20084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50811	0.4
54.23239	0.4
55.48523	0.4
56.63186	0.4
59.01358	1.3
68.12151	0.5
69.03451	1.1
69.40219	3.1
71.01371	53.6
71.93346	0.4
72.01690	1.0
72.99277	0.6
75.78721	0.4
107.05016	1.2
108.07783	0.5
112.98774	1.0
115.00358	16.5
116.00672	0.8
121.02988	0.5
139.11269	2.3
154.79375	0.4
181.04938	0.7
185.11794	100.0
186.12132	5.9
214.37363	0.5
270.26263	0.5
301.12811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1592
Annotation	alpha-hydroxy Farnesyl Phosphonic Acid
Peak:m/z	Relative Intensity
57.88205	0.8
59.01363	2.4
61.98821	1.1
62.96447	0.8
69.28688	2.8
69.29115	4.9
71.01340	1.0
98.20682	1.6
123.00890	0.8
139.75983	0.9
217.07262	2.1
230.67911	0.6
271.06006	0.8
286.13660	2.1
301.15945	100.0
302.16235	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	301.1657
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.44829	0.2
53.02287	0.2
59.01387	0.3
59.96716	0.2
60.97503	0.8
69.89815	0.9
70.21580	0.2
74.99088	0.7
101.00224	0.2
118.96205	0.9
130.38962	0.2
134.99394	4.7
135.99361	0.2
136.97308	1.4
141.07399	0.3
141.87729	0.2
143.05299	1.5
150.98885	0.2
159.08434	1.2
161.06377	5.6
162.06538	0.2
201.04012	0.5
203.05611	2.9
204.05760	0.2
205.03554	0.7
210.07707	0.2
215.05670	0.9
217.07170	81.5
218.07329	6.0
235.08212	0.3
247.96049	0.2
261.06137	0.4
263.05991	0.2
283.11905	0.4
285.13431	32.9
286.13580	4.1
301.16553	100.0
302.16751	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	301.2016
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03429	1.9
59.01371	1.0
77.34734	0.4
80.62719	0.4
83.04998	1.0
83.35919	0.4
98.20645	1.1
111.08162	3.7
113.09718	1.2
120.62573	0.4
123.00871	0.8
125.09695	0.8
127.11250	1.1
137.06126	0.5
138.03224	0.6
141.12894	0.8
147.40538	0.4
173.08119	1.5
181.04961	0.8
211.20660	0.9
221.19075	29.9
222.19391	1.9
237.18526	1.2
239.20128	5.2
257.21204	1.2
265.18039	18.4
266.18350	1.5
283.16245	0.3
283.19098	19.5
284.19379	1.9
301.20148	100.0
302.17255	0.7
302.20493	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	302.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94633	9.1
52.16974	8.8
57.03436	9.3
58.29213	8.1
59.01370	47.8
60.01688	8.9
61.98820	44.8
62.02159	8.3
66.51244	9.2
67.80788	7.5
71.01379	69.9
71.07545	18.2
78.95895	12.0
81.21257	7.7
85.02969	11.1
89.02444	18.0
93.03423	9.0
95.01364	18.0
99.05635	10.6
100.04028	27.7
106.36839	9.0
118.05080	17.2
121.02998	9.5
123.00053	14.2
123.00858	100.0
124.01173	70.3
129.06610	13.2
134.04706	39.8
138.03183	69.7
139.00378	12.4
139.03667	60.3
140.04379	50.3
183.07745	18.2
187.10870	34.0
201.08769	15.9
213.08733	15.0
220.73254	9.3
234.76668	9.5
247.43790	9.9
284.12485	40.6
285.10922	67.2
302.06149	10.9
302.09290	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	303.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73019	5.2
57.25827	5.0
59.01358	32.1
61.95272	5.4
71.01389	11.6
71.60196	8.1
72.54417	5.8
72.99310	6.2
76.71847	5.3
78.95921	11.6
82.02995	14.5
99.00860	5.5
100.04028	6.9
103.04009	20.3
110.02449	45.9
111.02009	56.2
113.21404	5.5
122.02481	70.4
142.99437	5.0
146.99698	7.9
159.01482	14.0
161.01207	12.5
164.36667	6.3
187.10889	6.7
200.05551	26.0
243.03723	5.9
243.06165	100.0
285.10950	16.4
303.02396	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49303	3.5
59.01370	16.8
61.98817	38.4
71.01375	41.5
71.60384	3.4
71.60758	3.9
72.01696	7.7
72.04531	4.8
72.99295	6.8
78.95881	16.8
82.02976	4.4
85.07710	7.1
86.07995	3.7
93.66103	3.9
95.05251	3.7
96.95995	64.8
98.35448	3.4
99.05622	6.8
100.04032	29.1
100.05972	3.4
101.04337	11.5
111.02002	7.1
118.05109	17.5
140.07085	4.1
158.10173	3.6
160.01590	8.6
161.01224	11.6
161.98897	12.6
183.07657	5.5
184.08018	11.3
184.97710	3.6
187.10841	24.4
188.11234	24.7
190.98730	4.9
201.08707	9.2
202.09117	14.8
213.08836	7.1
214.09059	12.9
232.99837	8.3
235.27194	4.0
242.12108	14.1
260.13281	9.0
285.10962	17.6
286.11194	100.0
287.11368	4.4
303.99673	4.9
304.02698	12.3
304.12225	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	304.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.8
61.98824	100.0
65.21637	3.9
67.01871	11.1
68.46129	3.6
71.32075	4.1
75.42677	3.6
75.85440	4.7
95.05011	29.6
98.20590	7.6
101.02421	14.4
117.67471	4.1
120.99666	5.1
121.02953	6.5
123.04585	4.3
127.03996	35.9
139.00349	13.9
139.04025	6.4
217.90895	4.3
241.07178	10.5
244.97607	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	304.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38610	0.4
58.02969	38.9
59.01338	0.3
59.03319	0.4
60.27407	0.4
61.37000	0.3
62.44809	0.3
64.07372	0.3
69.88187	1.9
71.35954	0.3
96.55889	0.3
101.31374	0.3
111.29205	0.3
119.95196	0.3
126.40193	0.3
168.13913	100.0
169.14282	5.6
212.12930	3.1
215.78673	0.4
234.13068	0.4
266.32535	0.4
285.51575	0.3
304.19058	1.6
304.22519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2278
Annotation	Samandarine
Peak:m/z	Relative Intensity
56.11435	0.8
58.02966	1.8
59.01376	7.0
61.98814	1.4
64.63748	0.6
71.62453	0.9
86.06106	36.9
87.06441	1.0
95.01334	0.8
98.42821	0.7
99.00935	0.7
108.05433	0.6
116.02766	0.6
130.05122	0.8
141.01662	4.1
152.91728	0.8
163.03438	0.6
168.13959	4.7
195.74925	0.6
210.37732	0.7
212.12715	0.7
262.21576	1.3
273.76965	0.7
304.22766	100.0
305.23166	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	305.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	38.0
60.01700	0.6
63.76963	0.6
64.85883	0.6
67.66008	0.5
69.63576	3.4
69.63976	0.9
69.75551	0.5
79.95755	1.7
87.91193	0.5
96.95999	100.0
97.06612	0.7
128.80620	0.5
132.92093	0.5
135.08113	1.0
147.08156	1.1
151.17653	0.6
165.09108	0.6
224.62831	0.6
225.11282	24.0
226.11612	1.8
231.75829	0.6
305.06955	85.4
306.07245	4.9
308.00000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	42.2
67.68521	0.8
69.93386	0.7
69.94089	3.2
73.82250	0.8
79.95328	1.0
79.95761	2.6
86.96147	0.8
96.95998	100.0
98.20677	0.9
135.08142	1.3
147.08105	1.8
163.85127	0.7
165.09171	1.3
194.84546	0.8
225.11276	26.4
226.11565	1.9
293.93198	0.9
305.06961	93.3
306.07361	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	305.1754
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.72280	1.0
57.03449	1.2
59.01380	15.9
59.61468	1.0
63.13835	1.1
69.03437	1.4
70.71894	3.1
71.01388	1.0
71.05015	34.0
73.38501	1.0
81.03446	2.1
83.05004	2.0
93.03463	2.0
95.01372	1.5
95.05008	14.9
106.04211	1.9
107.05008	2.2
108.94852	1.1
109.06585	13.4
111.04511	3.2
113.79764	1.0
119.05008	1.5
121.06612	5.6
122.03767	1.8
123.08138	1.4
125.06095	1.1
125.09711	1.6
127.07655	1.3
135.08165	9.1
141.01666	5.6
147.04546	2.5
147.08154	2.0
150.06894	2.0
153.09201	1.6
161.06137	2.6
161.09651	1.6
165.09157	11.7
179.14412	1.3
185.11836	2.9
189.12836	13.1
190.13145	1.4
205.15915	7.0
208.35416	1.0
225.19479	1.2
233.11742	6.0
243.17477	9.9
244.17758	1.0
245.15337	1.7
247.10648	1.2
249.14960	11.2
250.15231	1.6
261.18515	1.6
263.16324	1.9
269.15430	2.0
287.16492	71.5
288.16879	4.9
305.17551	100.0
306.17886	9.5
311.94519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1754
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
58.02859	2.1
59.01376	18.5
61.98793	2.4
69.43188	3.8
69.43587	15.5
72.05681	2.1
76.87302	2.0
80.96343	2.2
81.03450	3.1
91.09505	2.1
92.93366	1.9
93.03445	2.8
95.01375	2.3
95.05010	4.7
97.06570	7.3
98.96458	2.3
99.08086	2.1
107.05022	4.5
109.02896	4.5
109.06588	4.9
121.02969	3.5
123.00893	2.5
123.04490	3.0
125.02431	2.5
125.06062	19.3
127.07649	11.2
135.04543	2.9
136.05290	4.3
138.06851	3.9
141.01657	6.4
149.09697	5.2
151.11296	4.0
164.08322	3.0
167.10721	2.6
169.14374	2.3
175.11195	2.4
179.10872	2.8
189.12869	5.9
195.13858	28.9
223.13359	3.0
231.13869	4.9
243.17488	43.2
244.18047	4.1
250.12067	13.2
259.16916	5.7
261.18521	11.0
287.16489	48.3
288.16788	4.8
305.17529	100.0
306.17938	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	305.1754
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.84872	0.9
51.93030	1.2
55.43372	1.1
57.03438	1.5
57.82659	0.8
59.01370	5.8
70.06612	1.0
71.05013	51.5
71.31651	1.1
71.31991	1.6
77.59627	1.1
80.02668	1.8
81.03443	4.7
83.05030	1.6
93.03446	2.4
94.04211	1.0
95.05009	23.0
97.67966	1.0
106.04220	2.6
107.05012	3.1
108.02145	0.9
109.02940	1.3
109.06581	22.2
110.03730	1.4
111.04517	3.1
119.05035	2.0
121.06628	5.5
122.03735	1.1
123.04483	1.6
123.08163	2.2
125.06136	1.2
127.07631	3.0
135.08110	2.7
137.05969	0.9
147.04475	3.2
147.08154	4.4
149.06061	1.4
149.09653	1.6
150.06873	2.9
151.11192	1.0
161.06047	3.3
161.09718	1.5
164.08342	1.2
165.09163	13.2
175.07637	1.2
175.11258	1.1
189.12834	17.1
190.13150	1.8
191.10886	0.9
193.12328	1.1
205.15932	12.8
205.17696	1.6
206.16245	1.3
215.10776	1.1
218.61465	0.9
231.13834	2.9
233.11815	9.5
234.12250	0.9
243.17508	11.1
249.14943	15.2
261.18613	2.0
263.16418	1.1
269.15421	4.2
271.13498	1.2
287.16489	92.9
288.16794	9.9
291.20605	1.0
305.17538	100.0
306.17889	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	305.1755
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01867	1.3
57.03415	2.4
59.01372	12.1
61.98820	1.4
65.03942	3.7
71.05008	7.0
71.61961	1.0
71.62411	1.5
79.05519	14.4
83.05013	1.2
93.03482	1.0
95.05029	2.1
95.21632	1.0
96.96049	1.1
97.06571	14.5
105.38844	1.1
106.04224	7.8
107.05027	2.9
109.06570	1.7
114.06132	1.1
119.04979	1.5
120.05814	5.5
121.06598	4.9
123.08115	6.5
125.09704	15.3
126.10102	1.2
135.08141	100.0
136.08470	4.4
137.09702	1.9
141.01689	5.9
151.11266	3.4
158.88133	1.1
163.11281	1.9
177.12758	1.3
185.11783	2.9
189.12866	1.5
205.15927	6.8
207.10199	3.4
209.11717	1.5
221.11710	1.6
231.13898	1.9
233.11749	1.7
235.13110	1.0
249.14905	46.7
250.15245	3.4
261.18536	1.3
263.16449	1.8
265.28595	1.1
269.15414	1.7
287.16519	7.3
305.17535	74.6
306.17841	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	305.2482
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
50.82099	0.4
52.05671	0.4
53.01585	0.4
59.01366	1.1
61.98820	0.5
70.86887	0.7
70.87233	0.7
71.01373	0.4
77.51711	0.4
78.27744	0.4
89.39420	0.4
91.73100	0.4
110.24664	0.4
112.98536	0.5
121.86018	0.4
303.23199	0.6
305.24802	100.0
306.25156	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	306.098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99684	0.4
57.49608	0.4
59.01366	0.9
61.98816	0.6
66.03462	0.9
69.80170	2.4
77.30746	0.4
80.40793	0.4
98.77258	0.4
108.72978	0.4
110.40707	0.4
116.05038	3.4
118.06615	15.4
119.06918	0.4
132.04636	0.4
132.08197	1.4
135.04494	0.7
144.04532	11.4
145.08682	0.6
148.07622	3.0
150.05585	0.5
158.06078	0.7
160.04007	2.4
161.04807	2.8
174.05565	0.8
176.07135	40.9
177.07538	2.3
179.02002	0.4
179.03488	1.5
188.03519	1.0
190.01538	0.5
192.06610	0.6
193.03745	1.0
196.31349	0.4
202.64691	0.4
204.02888	0.5
220.06110	100.0
221.06453	6.3
307.14020	0.7
327.40442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01375	5.8
60.01730	0.7
64.43877	0.4
69.72088	2.4
71.01369	0.9
74.99093	1.0
85.02959	1.6
86.02470	31.6
87.02760	0.6
89.02424	0.6
92.12422	0.5
96.95998	8.3
98.95573	1.4
113.04292	1.5
131.05316	0.6
133.02945	3.8
135.04520	6.1
143.04648	1.2
150.03204	1.5
161.02429	8.1
167.03349	0.5
173.11827	1.7
175.07904	0.6
179.03448	5.2
181.53555	0.5
201.09549	1.9
215.09290	0.5
219.10576	100.0
220.06175	0.7
220.10878	6.1
226.11684	2.0
306.07520	7.5
306.13770	27.0
307.08322	5.2
307.13971	6.3
315.04532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36732	0.5
53.50907	0.5
57.80312	0.6
59.01373	5.9
66.21602	0.6
68.84676	0.5
69.47923	4.4
74.99083	0.9
85.02924	1.6
86.02470	33.1
87.04504	0.6
89.02455	0.7
96.96004	11.3
97.06506	0.6
98.95566	1.9
113.04292	1.6
131.05280	0.7
133.02950	1.9
135.04520	6.9
143.04604	0.6
150.03172	2.0
157.05055	0.7
161.02411	8.1
173.11772	0.8
179.03476	6.0
197.72635	0.6
201.09523	1.9
203.03368	0.7
215.09225	0.7
217.87480	0.5
219.10565	100.0
220.06139	0.8
220.10910	5.7
225.11310	1.2
226.11641	2.6
239.95393	0.6
306.07410	11.0
306.13763	29.2
307.08313	4.6
307.14026	5.5
307.17392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
61.98824	100.0
62.98534	0.7
63.99248	1.6
70.79597	0.8
71.01386	0.8
72.58056	0.4
103.03999	0.5
121.02935	0.9
121.93411	0.5
134.97061	1.0
136.94014	0.7
136.96713	1.1
138.89923	0.5
148.93259	0.5
161.98941	1.8
162.96523	1.1
162.99098	2.3
163.98653	3.7
164.96358	43.0
165.01938	1.0
165.91037	0.9
165.92297	4.6
165.96428	2.7
175.26642	0.4
176.98090	5.4
178.95053	0.6
201.02634	0.5
205.00162	0.5
205.99789	0.8
206.97415	17.5
207.93437	0.8
207.97568	0.9
214.81232	0.4
227.17677	0.5
294.78955	0.4
299.81595	0.4
306.97537	14.0
307.00302	3.9
307.93567	2.3
307.97690	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	307.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
61.48313	0.5
68.99560	0.6
70.55513	0.9
70.55878	0.7
71.01360	1.4
78.95893	40.1
84.02045	0.4
85.02956	1.1
87.00879	0.6
87.22636	0.4
87.90189	0.5
89.02446	1.1
96.96046	7.6
96.96947	100.0
101.02416	2.5
109.02934	1.4
110.51291	0.5
112.98605	1.0
113.02441	0.6
119.03468	1.5
125.02439	0.6
133.02942	1.5
133.05061	2.4
135.04509	23.4
136.04877	0.5
142.43340	0.4
143.03488	0.6
161.02426	3.6
173.04448	0.5
179.03464	20.2
180.03781	1.1
215.09276	0.4
289.07263	0.9
307.08081	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	307.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.3
64.86980	0.4
71.01381	1.0
71.61370	0.5
72.75249	0.5
73.02988	0.5
74.99087	1.5
85.02953	1.4
90.44790	0.4
96.96016	1.9
97.06573	0.6
102.69495	0.4
107.05009	1.0
120.99622	0.6
122.67933	0.5
132.03076	0.5
133.02943	4.1
134.03737	3.6
135.04507	100.0
136.04825	5.1
136.99146	1.1
161.02425	7.2
162.02814	0.7
163.03944	0.5
178.02473	0.5
179.03471	96.4
180.03822	5.8
203.03558	0.6
235.86021	0.6
289.07248	2.6
307.04596	1.9
307.08151	14.4
308.08459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
69.25556	0.4
71.15775	0.8
71.16119	0.8
82.41118	0.4
85.02963	1.6
87.00855	0.4
98.95583	0.6
107.05022	1.0
109.02970	0.8
133.02972	3.2
134.03746	3.3
135.04510	100.0
136.04825	3.9
159.06744	0.5
161.02417	6.1
161.31506	0.4
169.41454	0.4
179.03474	99.1
180.03831	4.9
185.73601	0.4
187.48779	0.4
205.45274	0.4
218.90332	0.4
289.07104	2.6
307.08170	14.7
308.08466	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07364	0.2
55.52921	0.1
65.00301	0.3
67.01881	22.3
68.02213	0.3
68.99809	4.5
69.03446	6.8
69.37749	1.3
70.03756	0.1
73.02933	0.6
75.49623	0.2
83.01371	0.8
85.02943	1.2
92.99809	0.8
95.01373	10.2
95.20641	0.2
98.19875	0.3
99.04502	4.0
101.02434	8.9
111.00867	100.0
112.01140	2.5
113.02435	9.6
114.02792	0.4
121.02926	0.3
123.04493	1.4
125.02428	4.8
126.26292	0.2
127.03997	27.8
128.04349	1.2
135.04497	0.5
139.00356	46.2
140.00693	1.5
143.03473	2.3
149.02408	3.2
150.02660	0.1
153.01886	0.8
153.05562	0.3
161.02493	0.3
171.02977	6.2
172.03380	0.3
179.03467	0.6
207.92433	0.1
247.35347	0.2
268.32434	0.2
275.05569	27.7
276.05887	2.2
307.08160	8.1
308.08530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77827	0.4
59.01364	1.2
59.75834	0.4
61.29721	0.4
69.26257	2.9
69.26678	1.3
74.01890	0.4
75.89110	0.4
84.29600	0.4
85.02943	2.4
91.05541	0.5
98.95601	0.7
107.05029	1.0
109.02940	0.9
110.45955	0.4
127.03963	0.5
132.02161	0.5
133.02956	5.2
134.03746	2.7
135.04512	97.9
136.04840	3.9
150.03207	0.6
161.02425	14.9
162.02818	0.9
177.05579	0.5
179.03476	100.0
180.03831	5.5
203.03496	0.5
210.58466	0.4
289.07092	3.4
292.95813	0.4
307.08203	20.5
308.08362	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	307.0854
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
53.89344	0.4
57.03466	0.4
59.01380	2.2
60.97633	0.5
69.71712	1.3
69.72121	1.3
71.01382	0.7
79.95738	1.0
85.02931	0.6
93.70550	0.5
96.96001	100.0
98.20117	1.6
99.00845	0.7
113.02486	0.5
130.05090	0.8
133.02951	0.8
135.04509	8.8
136.04869	0.6
145.02927	0.6
161.02417	2.2
165.12840	3.5
165.14049	0.5
179.03485	9.0
197.11824	0.8
209.11801	1.3
219.10530	2.0
227.12840	15.2
228.13120	1.0
263.09586	0.5
295.63852	0.6
307.08514	62.9
307.11700	2.6
308.08807	4.9
308.12015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.9
69.73488	1.8
71.01363	0.7
74.99068	6.3
75.28980	0.2
91.02203	2.7
93.00127	1.4
93.08628	0.3
98.19823	0.4
100.12836	0.3
122.75281	0.2
135.04521	0.6
141.07382	0.3
143.05334	0.3
146.09596	0.2
149.00938	2.1
156.71996	0.3
159.08449	6.5
161.06310	1.7
179.03464	0.4
192.98238	0.4
206.99689	1.1
209.01283	2.2
217.07147	1.0
223.02806	49.5
224.02887	5.1
241.03925	0.4
275.06055	0.5
289.07553	2.0
290.07516	0.3
291.09073	100.0
292.09219	12.9
307.12326	3.9
307.22546	0.3
308.12363	0.6
309.10184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13511	0.4
59.01368	3.2
59.31608	0.4
61.98811	0.6
63.37362	0.4
64.97514	0.4
67.48026	0.4
71.01368	2.1
74.24004	0.5
74.99053	4.1
91.02211	3.1
93.00110	2.1
93.35234	0.5
101.02403	0.5
103.04027	0.9
111.00851	1.0
114.91735	0.5
135.04518	5.0
142.45428	0.4
149.00963	2.2
153.82796	0.6
157.05139	0.5
159.08447	7.7
161.02409	1.5
161.06345	1.3
179.03461	5.6
192.98195	0.7
206.99640	1.1
209.01266	3.1
217.07068	0.7
223.02795	49.8
224.02869	5.5
241.03952	0.8
275.05939	0.6
289.07462	1.7
291.09055	100.0
292.09174	13.6
307.08267	1.6
307.12198	4.0
307.19116	0.7
308.12234	0.6
309.10220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31255	0.6
57.03430	0.7
58.00584	1.5
59.01372	40.2
61.42449	0.6
69.80209	1.3
69.80631	2.5
71.01376	19.9
72.99294	1.6
73.02930	1.7
73.13100	0.7
83.01370	1.9
83.26022	0.5
85.02938	4.7
87.00869	1.5
89.02435	20.0
95.01394	1.8
99.00845	1.1
99.08141	20.1
101.02433	14.4
113.02439	7.0
119.03500	8.3
127.07639	4.3
129.09180	2.2
133.03017	1.1
135.04480	2.3
141.09192	2.0
145.08687	56.3
146.08989	1.9
161.02391	2.1
161.62981	0.6
179.03464	1.7
179.05563	1.5
183.79913	0.7
187.09749	1.7
216.88127	0.6
246.24203	0.7
255.16393	0.6
307.08087	2.4
307.13934	100.0
308.14307	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	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
57.03433	5.1
59.01372	16.6
63.02303	1.8
65.03959	59.7
67.01880	4.7
69.03448	2.1
71.01376	12.1
71.05009	37.4
71.61715	3.3
83.05009	3.5
85.02953	2.2
89.02430	3.0
97.06579	68.0
98.06941	2.8
103.03993	7.1
109.06637	2.1
111.00868	18.2
113.02427	2.3
119.08618	10.2
121.06580	95.2
122.06904	5.5
123.08139	4.6
125.09703	44.6
135.04514	10.8
137.09679	3.9
139.00368	5.5
161.02364	5.3
166.81784	2.1
171.10188	2.8
179.03444	15.8
185.11795	80.6
186.12076	4.7
209.11780	40.7
210.12004	2.5
211.13362	35.1
212.13678	3.1
235.13344	100.0
236.13756	8.4
289.18076	22.7
307.08054	5.9
307.19159	26.1
308.19391	2.7
323.74957	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14300	2.1
51.78384	2.4
57.03421	4.8
59.01371	24.6
61.98830	11.4
65.03954	59.0
66.04317	2.1
67.01842	2.3
69.03434	2.0
71.01368	11.0
71.05008	33.6
71.61486	3.6
74.22384	1.9
83.05021	3.4
86.06831	2.7
89.02381	2.4
93.59071	1.7
97.05942	3.7
97.06574	72.3
103.03987	4.9
109.53960	1.8
111.00896	10.7
112.11645	1.9
119.08661	11.3
121.06575	95.8
122.06969	2.5
123.08157	4.1
125.09699	43.0
126.10068	1.8
135.04509	13.5
137.09683	3.0
139.00337	4.9
161.02357	3.7
179.03473	13.8
185.11798	82.9
186.12169	5.9
187.04379	1.9
209.11766	34.1
211.13359	35.7
212.13618	2.5
214.53452	1.9
233.15543	2.8
235.13344	100.0
236.13728	9.0
247.08455	2.1
289.17960	18.8
307.07974	4.3
307.19031	29.5
307.22360	2.3
308.19394	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	307.191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
58.10799	0.5
59.01366	2.0
60.73239	0.5
70.12460	1.4
71.05013	5.6
80.02665	0.8
81.03459	1.6
83.04997	2.3
95.05019	2.0
97.06589	0.5
98.03716	1.9
106.04210	1.0
109.02949	0.7
109.06571	12.5
110.06867	0.6
111.04508	6.0
111.08125	0.8
120.41068	0.5
121.06569	0.8
123.08131	1.1
127.07648	4.6
132.17902	0.5
135.08083	0.8
143.10736	1.5
145.06560	2.1
149.06007	0.8
149.09680	1.5
151.11276	0.6
160.62839	0.6
167.10739	2.6
179.10704	1.5
181.12326	0.8
191.14406	0.8
195.13893	3.1
235.13326	1.8
243.17516	0.5
245.19032	5.5
246.19389	0.6
251.16586	0.8
271.16962	1.6
273.14938	0.5
287.16507	2.4
289.18039	100.0
290.18439	11.3
307.19101	9.7
308.19470	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	307.191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	6.5
70.61828	3.4
71.01394	2.4
81.03506	1.6
83.05010	4.7
97.02938	1.3
98.03722	2.8
99.08147	6.2
107.11726	1.5
109.02956	2.6
109.06542	2.2
123.08114	2.2
125.09638	1.6
127.07642	22.8
129.09109	1.4
133.45016	1.4
135.04494	1.7
137.09775	1.8
138.06873	2.2
149.09682	2.1
151.11259	11.6
159.74719	1.4
163.11316	2.1
167.10756	2.5
177.12769	3.9
179.10672	3.0
185.11740	2.5
191.14325	2.7
193.12306	2.6
195.13855	2.3
223.13307	3.2
225.14835	2.6
233.15453	2.6
239.42198	1.4
239.86560	1.4
245.19041	22.8
246.19205	1.5
252.13719	2.9
263.20209	3.5
267.12482	2.4
271.16907	3.0
279.19748	1.8
289.18033	78.7
290.18445	8.4
307.19098	100.0
308.19415	11.9
320.23795	1.6
325.31509	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	307.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63257	1.3
55.01869	1.7
57.03441	5.3
59.01373	8.3
66.68222	1.5
67.01884	1.7
69.03432	4.0
71.01379	2.5
71.05019	1.6
80.02652	1.4
81.03432	7.4
83.01383	9.3
83.05022	4.1
95.04999	5.6
97.02949	6.4
97.06577	12.7
106.04213	1.5
109.06604	3.0
121.06572	3.1
123.04504	12.3
123.08138	5.1
125.09699	19.3
135.04501	1.9
135.08134	3.3
136.05359	1.5
137.06041	2.5
137.09703	13.6
141.12827	3.5
149.06059	4.8
151.11304	1.7
151.37363	1.3
161.04503	1.5
162.10455	1.6
163.07668	1.7
163.11264	20.9
165.12856	4.4
167.10759	2.7
171.10240	2.4
177.12799	1.9
179.10780	3.5
181.12329	5.1
185.11790	20.8
191.10750	3.2
191.14398	23.8
196.08665	1.6
207.10222	12.1
209.11794	53.4
210.12120	2.5
217.15933	2.2
225.11264	12.3
226.11821	2.2
230.12842	1.7
245.19078	49.1
246.19362	4.3
263.20126	4.8
271.16971	4.7
289.18036	100.0
290.18408	11.7
307.19125	53.0
308.19482	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	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03435	6.6
59.01360	12.2
71.01394	2.4
81.03448	7.0
83.01379	8.5
83.05012	3.4
84.00896	2.4
97.02950	5.0
97.06567	7.6
98.19826	4.2
103.03955	2.4
107.08662	2.5
109.06630	3.3
113.43697	2.1
119.08675	3.3
121.06572	4.1
123.04511	7.9
123.08127	8.2
125.09721	21.1
135.04492	2.4
135.08139	5.9
137.09682	10.1
141.12848	2.4
149.06084	4.5
151.07579	2.0
163.11246	13.6
165.12769	3.4
177.12869	3.5
181.12285	3.9
185.11789	22.5
191.14377	18.8
199.09644	3.9
207.10252	8.4
209.11780	46.6
210.12021	4.6
211.13383	3.3
216.06290	2.2
217.15764	2.5
225.11322	10.4
245.19075	44.3
246.19356	4.2
261.93774	2.3
271.17004	4.5
289.18042	100.0
290.18353	9.2
307.19098	64.1
308.19476	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	16.8
59.01374	23.7
66.98477	2.6
69.03454	5.9
70.01644	11.4
71.01384	22.0
81.03432	4.3
83.05006	7.8
84.46635	2.2
89.02414	3.0
92.68986	2.4
93.03452	2.5
95.05005	5.3
97.06583	25.7
103.03995	4.6
106.04230	2.9
108.02199	2.6
109.06602	6.7
111.08154	12.8
112.08463	3.2
119.04964	2.8
121.02917	3.5
121.06586	7.3
123.04556	4.5
125.09699	7.5
127.11258	2.3
133.95074	2.6
135.04495	8.4
135.08142	3.5
137.02446	4.3
137.09741	4.8
145.02954	2.5
149.09692	5.0
149.53569	2.6
151.11264	30.8
153.09154	6.7
153.12782	2.6
155.10756	9.7
155.25465	2.3
161.04573	4.3
163.11282	9.4
165.12833	40.8
167.10696	5.6
169.12280	2.6
171.10243	13.5
177.12862	5.4
179.03448	6.6
179.10719	12.1
181.12320	42.5
182.12628	3.6
185.11771	13.5
191.10751	18.0
191.14360	12.2
205.12320	4.1
209.11798	100.0
210.12137	6.3
211.13361	10.8
214.40794	2.7
225.11333	3.4
227.12923	2.5
235.20560	2.6
245.19052	41.2
246.19412	2.5
261.18671	4.5
263.20099	12.7
271.17004	5.5
279.19669	6.8
289.18036	50.3
290.18411	6.5
307.10532	4.6
307.19101	86.5
308.19382	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	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	8.0
59.01372	32.8
61.98817	4.1
67.01872	3.1
69.03439	3.8
70.82762	7.8
71.01379	15.7
71.05015	13.1
71.53887	2.4
73.02934	4.9
79.99794	2.5
80.02684	4.3
81.03464	6.6
82.73826	2.7
83.05029	7.9
84.02142	13.1
85.02947	4.3
85.06609	3.7
95.05013	47.0
95.05590	3.6
97.02968	3.9
103.03989	7.9
109.02920	2.9
109.06576	19.8
111.00845	4.4
111.04513	13.0
111.08177	2.9
113.06071	65.4
114.06429	2.9
116.44535	3.3
118.61205	2.8
123.08131	5.4
127.07598	5.4
130.24196	2.4
135.04501	26.3
135.93240	2.7
157.05067	3.4
161.02414	8.5
161.04547	3.8
165.12753	3.3
179.03433	25.1
179.10770	3.2
183.13907	3.1
191.14455	3.5
193.12291	17.6
195.13849	11.1
209.11757	6.2
211.04608	2.9
211.13393	18.9
233.15416	21.9
235.13338	6.5
245.19060	8.2
247.08215	5.3
249.14914	6.1
251.16594	5.5
261.18542	5.5
289.18042	100.0
290.18451	13.9
307.08118	6.8
307.19128	57.6
308.19318	7.5
322.20248	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1911
Annotation	Ostopanic acid
Peak:m/z	Relative Intensity
57.03438	16.2
57.18156	3.5
59.01377	28.9
61.98818	5.1
62.24181	3.4
69.03442	6.1
71.01378	26.4
71.15831	7.9
73.02937	5.2
83.05022	7.8
91.84364	4.5
97.06579	23.5
103.04036	5.5
109.06576	9.4
111.08160	6.7
119.04958	4.3
123.08201	4.3
125.06133	4.3
125.09719	6.9
127.11202	4.2
135.04483	9.3
145.03093	4.5
149.09735	12.4
151.11246	30.6
153.09235	6.3
155.10805	12.7
161.04520	5.9
163.11253	7.3
165.12859	33.2
167.10724	5.0
172.07219	4.0
179.03455	11.2
179.10754	11.4
181.12329	45.2
191.10771	15.6
191.14439	9.1
195.10301	6.0
206.39496	3.8
209.11786	72.7
210.12192	4.6
211.13373	9.1
237.14973	7.3
245.19102	32.6
246.19403	4.5
261.18610	4.2
263.20074	11.9
275.20142	15.1
279.19666	5.5
289.18048	54.9
291.07626	3.8
307.19232	100.0
307.22797	22.5
308.19504	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2277
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01365	2.2
61.98823	0.7
64.53566	0.5
66.93909	0.5
69.89783	1.0
69.90194	1.8
71.01358	1.7
96.96024	0.7
103.03938	0.7
127.57056	0.5
135.04491	1.6
150.96632	0.5
179.03471	1.7
229.72513	0.5
307.22736	100.0
308.23111	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	307.264
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
58.12635	1.7
58.31370	1.8
59.01385	3.0
63.36505	1.8
71.62312	3.3
135.04498	10.6
179.03482	9.3
307.26379	100.0
308.26703	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	308.1287
Annotation	CJ 16171
Peak:m/z	Relative Intensity
57.03418	0.2
59.01375	1.3
61.98825	0.4
69.03466	0.2
70.10592	1.0
71.01353	0.4
82.21416	0.2
86.84215	0.2
95.01363	0.5
98.19920	0.4
111.08123	0.4
116.05062	1.5
123.00824	0.4
130.20644	0.2
137.09676	0.3
140.05042	19.9
141.05397	0.9
142.06606	1.8
143.33871	0.2
144.04547	2.1
146.06091	1.1
151.04005	0.3
151.07590	0.8
152.08432	0.6
155.03766	0.4
156.04503	0.3
166.06606	4.0
167.07289	0.3
168.04523	76.3
169.04848	5.0
170.06090	2.2
171.10254	1.2
182.06024	1.1
194.06065	1.6
195.06779	0.2
197.11839	1.2
203.62848	0.3
207.43068	0.3
209.15436	1.1
210.05569	4.4
211.05994	0.3
222.12791	0.5
238.05035	1.9
246.19362	0.3
264.13852	1.9
265.18021	0.3
273.18790	0.5
290.18390	2.2
291.19635	2.1
308.12875	100.0
308.19138	3.0
309.13208	10.9
309.16974	2.0
309.20645	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	308.1861
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
58.02969	2.6
66.10487	0.1
69.52029	0.5
72.27605	0.1
74.47005	0.1
80.02660	0.1
80.05065	0.1
81.03468	0.2
95.05024	0.3
97.06558	0.6
98.19897	0.2
109.06612	0.1
110.09746	0.1
110.25214	0.1
112.07610	0.1
128.10805	9.1
129.11195	0.4
130.08720	100.0
131.09061	3.2
135.08176	0.1
151.11258	0.4
154.08755	0.1
172.09769	3.8
173.10103	0.1
264.19855	0.1
308.18613	35.9
309.18945	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	308.1863
Annotation	(2E,5Z,7E)-decatrienoylcarnitine
Peak:m/z	Relative Intensity
58.02961	1.5
63.53765	0.2
71.52538	0.3
72.89991	0.2
81.03452	0.6
95.05024	0.4
97.06581	0.3
109.06588	0.5
114.09237	6.7
116.07159	100.0
117.07502	2.5
158.08202	0.6
165.12830	0.6
179.60565	0.2
186.42674	0.2
308.18613	32.7
309.18918	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	309.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63455	1.1
59.01368	3.4
71.01373	21.7
71.61747	1.0
72.00919	1.1
72.99302	2.3
77.24042	1.0
87.00871	1.5
89.02405	2.3
89.03952	1.3
94.87470	1.1
96.95999	4.7
115.00360	39.0
117.03445	4.6
133.01414	87.6
134.03726	100.0
135.04065	4.2
137.42348	1.2
149.06073	5.2
174.02794	1.1
193.05028	77.4
194.05341	3.8
223.42555	1.0
292.98270	1.1
309.10129	1.9
310.08514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04901	0.5
55.26382	0.5
59.01369	1.1
71.01372	26.9
71.62147	0.6
72.99276	0.6
89.03957	3.2
106.04267	0.6
115.00357	9.7
117.03456	7.7
133.01425	5.1
134.03723	92.9
135.03986	3.3
137.02420	1.6
149.06055	6.7
150.06416	0.7
178.02710	4.9
193.05029	100.0
194.05370	5.0
213.07751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.0
59.01375	2.9
67.01875	4.4
69.29273	1.8
69.29674	5.6
71.01379	3.5
71.30762	0.8
78.48167	0.8
81.03423	0.9
83.05043	1.2
85.02959	0.9
91.05523	9.2
93.03450	27.7
94.03789	1.0
96.96010	1.9
111.00943	0.9
111.04496	5.4
115.00364	5.1
116.07188	1.9
119.05018	2.2
121.46494	1.1
134.03653	1.1
135.04532	5.7
137.02451	4.4
145.04987	0.8
155.03479	4.1
163.03979	1.6
163.06116	2.2
173.04523	100.0
174.04866	3.6
175.02451	9.2
178.52383	0.8
183.27934	0.9
191.05594	3.3
193.05109	0.9
262.75314	0.8
273.09579	1.0
309.10007	6.5
320.75955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01373	3.8
69.03464	1.0
69.81099	2.4
71.01376	0.7
73.02942	0.4
73.17166	0.5
76.70325	0.4
95.01335	0.6
98.20538	0.6
105.04916	0.4
107.08666	2.0
111.08136	0.7
119.08681	3.0
125.09738	1.0
141.73598	0.4
148.05287	57.9
149.05563	2.5
151.04005	0.6
151.07643	1.3
152.08415	1.2
155.10741	0.4
165.05553	0.8
171.08809	0.6
171.10246	12.3
179.01694	8.0
180.04260	100.0
181.04570	5.6
183.10353	0.6
185.11865	2.1
197.02779	0.8
197.11777	1.4
209.15440	2.6
229.19627	2.6
247.20665	1.2
261.18475	1.9
263.20123	0.6
265.18430	0.6
265.21671	20.7
266.22018	1.5
273.18542	6.4
274.18811	0.9
279.19522	1.1
291.19611	9.1
292.19846	1.1
309.14798	6.5
309.20621	35.9
310.15393	0.8
310.21008	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.7
59.01379	5.1
59.55047	1.0
69.03455	4.7
69.18843	0.9
71.05008	1.8
71.31702	1.0
83.04996	2.4
85.02924	2.3
90.38682	0.8
95.04990	1.3
97.02937	41.6
97.06594	1.1
109.06585	1.5
119.08668	3.1
120.08974	1.1
125.09731	2.5
127.07649	1.1
137.09706	13.5
155.10739	1.3
165.12764	1.1
171.10258	23.9
172.10585	1.6
177.12857	1.0
183.13898	2.9
185.11780	2.8
195.13866	4.2
195.40700	1.0
209.11795	1.1
211.13359	3.3
221.11731	3.1
221.15373	1.8
223.13332	1.2
223.17010	2.7
233.15446	4.3
239.12810	3.5
239.16510	1.3
247.20622	1.4
251.16463	10.6
252.16841	1.8
273.18649	3.1
291.19632	34.1
292.19958	3.3
309.20676	100.0
310.21042	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65339	0.8
57.03443	2.4
59.01377	4.5
67.01852	0.8
70.15076	2.2
70.15464	1.8
75.48132	0.9
80.78944	0.8
83.05004	1.2
97.06606	1.9
98.20526	1.4
105.94524	1.0
109.06478	0.9
111.08132	1.6
121.10226	10.2
123.08156	1.6
125.09699	8.7
137.09802	1.5
141.12881	1.1
167.14340	2.4
171.10301	2.4
185.11807	11.1
195.13864	1.5
197.11810	4.3
203.77174	1.1
209.11902	1.3
211.13362	65.7
212.13765	5.0
223.13405	1.2
225.15041	1.2
247.20657	1.2
291.19611	100.0
292.19983	12.3
309.17136	1.8
309.20627	9.9
310.21039	1.1
319.14737	1.0
332.06812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45298	1.2
50.70266	1.2
58.00588	1.3
59.01360	3.9
63.70828	1.4
68.89952	1.1
69.03430	1.7
71.07295	3.0
80.73294	1.2
89.50109	1.5
93.49358	1.2
111.08144	27.3
120.94783	1.2
127.07635	3.1
151.11240	1.4
153.12903	1.5
157.63466	1.2
169.12297	4.5
171.10233	2.2
181.12198	1.5
183.13899	1.6
197.11810	100.0
198.12099	5.6
199.13266	2.4
211.13406	11.1
263.20059	8.0
265.17969	3.1
291.19580	20.6
292.19830	1.8
309.17508	1.6
309.20651	41.5
310.20868	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72757	0.9
52.01382	0.9
57.03438	3.7
59.01371	11.2
69.03427	3.2
69.34838	5.2
69.35271	3.0
71.18027	0.9
73.02929	1.0
80.96523	0.9
83.04993	1.8
83.34085	1.0
96.95970	0.9
98.19781	1.7
111.08145	1.2
129.10843	1.2
131.62129	0.9
151.11296	2.0
153.12793	1.0
167.14409	2.4
169.12317	3.1
171.10269	2.2
171.29349	0.9
175.14781	1.2
197.09955	2.2
197.11800	43.5
198.12041	3.1
211.13371	4.0
221.15636	0.9
229.19469	4.3
261.18533	5.8
263.20007	1.3
265.18066	2.3
273.18542	14.6
273.26959	1.0
274.18954	2.4
279.19696	1.6
291.19604	18.7
292.20065	1.3
309.20670	100.0
310.21045	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27246	1.0
59.01371	4.0
67.13300	0.8
69.47073	7.0
97.06596	2.0
113.09727	2.1
115.07600	1.9
125.06067	1.6
137.09669	1.0
139.11180	1.0
141.09203	1.3
151.11272	1.1
152.08319	1.2
165.12785	2.7
167.14409	1.6
171.10309	1.1
181.12280	4.9
183.13896	1.5
195.13843	2.3
197.11745	1.1
210.34422	1.2
211.13316	5.1
221.15388	1.2
240.13568	2.8
247.20634	4.3
273.18530	3.1
281.21375	1.5
287.19342	1.0
291.19629	40.9
292.19888	5.5
303.67062	1.4
309.17563	3.5
309.20667	100.0
310.21039	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.0
59.01373	14.0
67.01861	2.2
71.01353	2.8
71.04988	4.1
71.32590	2.8
77.68780	1.7
80.02647	8.4
81.03429	6.0
83.01369	1.9
83.05019	27.2
84.02158	9.2
84.05332	1.9
85.02956	2.7
89.53166	1.7
97.06541	3.8
99.08139	8.3
109.06568	3.4
110.03697	1.9
111.08125	3.2
113.09736	2.2
115.07643	5.1
123.32787	2.1
125.09706	4.9
127.11240	6.4
137.09705	50.0
138.09993	3.7
139.11253	9.7
142.02647	2.4
151.04039	3.5
151.07600	8.4
151.11226	6.2
152.08342	5.2
153.09210	9.0
155.09544	2.7
155.10770	55.3
156.11107	2.4
163.11298	2.3
167.10736	6.6
169.12375	2.7
171.10243	57.2
172.10619	3.5
193.12283	31.3
209.11763	6.1
209.15480	11.0
210.15724	2.1
211.13348	5.0
247.20755	4.1
260.87772	2.1
263.20035	7.4
265.18054	3.3
265.21658	5.2
291.19626	100.0
292.19940	5.6
296.07016	2.1
309.16995	12.9
309.20590	99.9
310.17731	2.0
310.21014	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17406	2.0
57.03434	3.5
59.01362	20.6
60.13921	2.0
61.98835	3.4
66.78807	2.2
67.28143	2.5
69.35835	20.1
71.01371	4.8
81.03476	4.6
83.01396	9.4
83.05022	5.7
85.02924	3.4
96.96008	3.0
97.06576	6.7
123.08191	4.3
125.06112	2.5
125.09708	11.5
139.11261	13.5
151.03882	4.8
151.07646	13.7
152.08478	5.7
159.33745	2.4
163.11284	7.0
165.12883	13.9
167.10756	7.0
171.10262	5.1
181.12276	3.3
191.10855	4.3
193.15924	5.4
197.11821	5.5
209.11815	55.6
209.15370	14.2
209.76381	2.3
210.12140	5.0
216.63893	2.6
244.93919	2.2
247.20613	13.8
265.18155	3.4
265.21692	2.7
273.18616	3.2
281.20947	2.7
291.19595	100.0
292.19852	11.0
309.16928	22.8
309.20663	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.4
58.00600	1.6
59.01363	2.8
69.03410	1.8
70.92986	3.4
83.05019	2.3
95.05032	1.8
97.02926	1.9
97.06593	2.0
99.00856	4.0
107.96489	1.6
111.08147	19.0
119.08680	1.7
127.07607	2.2
137.09692	6.4
151.03955	8.1
151.07616	15.4
152.08411	17.9
153.12901	1.9
163.11235	1.9
165.12837	3.4
169.12325	4.6
169.60548	1.7
171.10274	11.4
181.12323	4.7
183.13911	3.4
184.07356	3.0
186.19539	1.6
195.13847	5.6
197.11804	65.5
198.12120	4.0
199.13425	3.1
208.10948	2.0
209.15434	22.3
210.15878	1.8
211.13379	12.9
221.15509	4.5
223.13409	3.8
227.12978	1.9
230.31961	1.8
247.20583	5.1
251.16418	2.1
252.09976	4.1
263.20053	5.0
265.18076	10.0
273.18500	4.1
284.76874	1.6
291.16241	3.7
291.19601	57.5
292.19955	6.0
309.16998	46.3
309.20648	100.0
310.17319	5.3
310.20956	12.8
311.44370	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	3.7
58.00582	2.3
59.01376	2.5
69.03438	4.5
70.80644	1.4
71.07234	3.5
96.27183	1.5
111.08167	10.0
119.08652	13.4
123.08154	2.0
125.09705	6.7
127.07732	1.8
127.11248	2.6
135.08124	1.9
135.84755	1.4
137.08728	2.4
137.09706	29.5
137.24394	1.4
138.10048	1.6
139.11270	2.1
151.11295	2.3
151.65657	1.4
155.10762	5.1
163.11346	1.5
167.10739	2.7
169.12357	2.1
171.10257	100.0
172.10580	4.3
181.12393	2.1
183.10210	6.7
185.11804	23.3
195.10155	2.6
197.11827	21.6
198.12102	2.7
199.13423	1.6
200.11945	1.6
201.11342	8.3
211.13347	3.7
213.11287	9.8
229.19604	2.3
237.14952	2.7
263.20096	3.1
273.18533	7.1
291.19638	39.9
292.19867	2.6
309.17087	3.5
309.20654	55.0
310.21045	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32538	1.6
69.03460	1.3
70.04653	6.2
111.08143	30.1
151.11241	2.2
169.12311	7.2
171.10281	4.3
197.11800	100.0
198.12144	5.9
199.13335	4.2
209.15373	3.0
211.13315	7.9
212.90793	1.5
219.86743	1.5
225.14932	1.5
227.12834	2.9
233.15274	1.5
263.20078	4.0
265.18149	2.1
291.19629	18.2
309.20663	41.5
310.21030	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.7
60.80960	1.9
65.52324	2.1
69.03445	7.2
71.06403	5.1
119.08629	21.7
119.52645	2.3
125.09722	7.0
135.08080	2.8
135.30818	2.1
137.09708	29.6
139.11282	2.5
141.91296	2.4
155.10741	4.3
165.26030	2.4
167.10696	3.6
171.10246	100.0
172.10551	5.5
177.64189	2.4
183.10243	5.5
185.11801	23.1
197.11800	5.5
201.11296	6.2
211.13295	2.7
213.11325	7.6
273.18634	15.4
291.19632	40.1
292.20038	4.8
309.20676	83.7
310.21021	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	310.1446
Annotation	CJ 16169
Peak:m/z	Relative Intensity
51.49355	0.4
56.46504	0.4
59.01374	4.0
71.01382	0.6
83.05024	0.8
86.67846	0.4
94.00125	0.4
98.20638	0.9
101.02497	0.5
106.71433	0.4
107.36997	0.4
108.22742	0.4
113.02408	0.6
116.05047	1.8
135.04521	0.8
137.09654	0.5
138.10081	0.6
140.05049	21.7
141.05389	1.6
142.06633	1.0
156.11067	0.8
161.02429	0.5
168.04527	75.2
169.04883	4.2
170.06090	1.7
171.10243	2.4
172.10559	1.5
179.03488	0.8
195.13882	1.2
208.07626	0.7
224.14417	1.2
229.14577	0.5
251.11423	0.6
266.15503	1.3
292.19931	2.5
293.21231	2.0
310.14441	100.0
310.20917	4.2
311.14801	12.0
311.22256	19.7
311.25171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1655
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
50.32303	0.4
53.83126	0.4
59.01369	1.0
66.64474	0.4
69.85003	2.2
71.01371	0.4
71.21201	0.4
72.00883	1.2
72.04131	0.6
72.04537	10.5
74.02462	100.0
75.02798	1.2
85.02954	0.5
93.83829	0.4
96.04526	1.1
98.02448	2.5
98.06102	1.5
98.19874	0.4
116.03519	12.5
118.05093	6.0
135.04518	1.3
161.02489	0.6
179.03412	0.7
204.13911	1.2
248.12823	1.1
266.13925	48.4
267.14264	3.7
310.16541	17.1
311.09384	1.0
311.16797	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.6
59.01364	2.2
70.43110	1.3
70.43433	0.7
71.01366	1.5
72.99294	0.7
73.79036	0.5
75.00868	6.8
82.57533	0.6
85.02939	1.4
89.02387	0.6
93.03440	1.2
96.20541	0.5
99.00906	0.7
101.02454	0.9
112.21310	0.6
119.05013	60.2
120.05353	3.6
129.01923	3.1
133.02919	1.7
135.04482	1.4
140.86021	0.5
142.72235	0.6
147.02995	6.8
161.02428	7.6
163.03987	100.0
164.04352	5.1
165.04018	14.1
170.49480	0.5
179.03455	2.6
263.81012	0.7
309.35645	0.6
311.07626	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	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03416	0.8
59.01373	6.4
67.01877	4.1
69.03458	1.2
69.67288	4.4
71.01367	5.0
73.02934	1.0
75.00864	1.0
83.05006	1.0
85.02941	1.3
89.02447	2.2
93.03448	34.3
94.03789	1.2
99.00852	1.6
101.02429	1.5
105.07130	0.8
108.02168	0.8
109.02936	7.7
110.10684	0.8
111.00870	2.5
111.04502	4.2
119.04984	3.6
121.02988	1.0
121.06589	0.8
123.04451	0.7
131.05011	1.0
135.04526	7.3
137.02426	24.6
137.06012	0.8
138.02777	1.1
147.04507	2.0
148.05258	1.9
149.02448	1.8
149.04782	1.3
149.06050	10.4
149.08788	0.7
155.03516	4.1
159.04524	2.3
162.03261	1.4
163.04001	7.0
164.04713	2.1
165.04097	1.0
165.05522	3.7
173.04524	100.0
174.03427	0.9
174.04836	3.4
175.03946	1.7
177.05544	52.3
178.02621	0.8
178.05954	2.9
181.05066	1.3
189.05586	0.8
190.09894	0.9
191.05602	1.9
203.03568	1.1
207.06628	1.6
218.49562	0.8
221.04524	14.1
222.04939	1.3
231.06648	1.1
239.05617	1.3
249.07587	1.6
267.08658	7.0
276.52130	0.7
311.07681	25.3
312.08072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38816	0.4
57.03427	0.9
59.01372	3.7
60.99314	0.8
67.01879	4.5
69.03461	0.9
71.01378	5.3
73.02957	0.6
78.78188	0.4
81.03473	0.6
82.19063	0.5
83.05009	0.8
89.02457	2.7
93.03448	36.2
94.03806	1.1
95.38303	0.4
99.00880	1.3
101.02438	1.1
109.02935	0.7
111.00851	1.1
111.04509	4.8
137.02431	26.8
138.02724	1.2
149.04533	1.4
155.03479	5.1
163.04056	0.5
173.04526	100.0
174.04883	4.0
177.05591	0.8
191.05661	0.7
311.07709	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	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92290	0.7
51.73836	0.7
59.01372	13.3
67.01878	0.9
69.03416	1.0
71.01372	4.7
71.61295	1.3
73.02922	0.8
75.00872	0.7
85.02934	4.6
88.79016	0.8
89.02420	1.5
89.03970	0.6
93.03448	55.9
94.03776	2.2
95.01383	1.4
95.04979	0.7
97.02948	0.6
101.02431	2.0
107.05016	2.4
109.02928	1.2
111.04485	1.2
112.27386	0.7
113.02454	4.1
117.03460	3.4
119.05033	0.8
123.04505	0.7
133.02953	3.7
134.03728	28.6
135.02936	1.1
135.04524	24.9
136.04829	2.9
137.02426	100.0
138.02737	3.2
149.02484	1.2
149.06065	25.2
150.06412	1.6
155.03519	1.8
161.02434	9.2
173.04524	48.3
174.04887	1.3
179.03470	20.2
180.03798	2.1
183.10234	1.0
186.07187	1.5
193.05032	26.2
194.05374	1.9
207.98361	1.0
223.00710	1.1
223.06071	1.4
251.11366	0.7
281.48956	0.8
297.55276	0.7
311.09555	22.4
311.59677	9.7
312.09940	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0979
Annotation	Vicianose
Peak:m/z	Relative Intensity
55.01863	1.1
57.03426	0.8
58.00584	2.6
59.01375	64.3
59.53004	0.6
69.03447	4.5
70.09799	1.3
70.10152	1.8
71.01376	30.8
72.99303	2.1
73.01166	0.6
73.02938	2.4
75.00865	16.2
82.90998	0.6
83.01390	1.9
85.02945	7.2
87.00845	1.4
87.04527	0.9
89.02437	33.7
90.02749	1.0
93.81415	0.7
95.01379	2.2
99.00878	2.0
101.02431	21.9
113.02448	12.4
114.02724	0.6
119.03490	14.1
131.03500	6.5
143.03479	1.9
149.04558	3.2
161.04514	2.0
177.34850	0.7
179.05612	2.3
237.06017	0.8
272.26804	0.7
293.08783	1.0
311.09808	100.0
312.10138	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	311.098
Annotation	Vicianose
Peak:m/z	Relative Intensity
55.50457	1.4
57.03423	2.3
58.00573	4.2
58.84988	1.3
59.01374	79.3
67.01891	2.1
69.03458	1.9
70.61169	2.8
70.61502	3.0
71.01378	58.6
72.99290	4.1
73.02946	21.0
81.03468	1.7
83.01376	2.0
85.02921	6.5
87.00860	2.2
89.02437	100.0
90.57462	1.3
93.03449	36.6
96.16972	1.3
97.02941	1.6
99.00874	41.6
100.87983	1.4
101.01764	2.5
101.02435	42.6
109.02937	2.1
111.00871	1.8
111.04522	4.1
113.02431	7.2
119.03472	2.1
119.04990	3.1
125.02390	3.4
131.03490	13.0
135.04451	1.7
137.02434	25.0
143.03436	4.3
149.02534	2.4
149.04535	41.7
155.03479	3.9
161.04471	3.6
163.03979	7.1
173.04526	93.8
174.04874	4.0
177.05507	3.9
179.03424	2.3
191.05594	18.2
221.04446	4.7
256.48447	1.6
311.07574	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23752	0.9
55.01868	1.5
56.08212	1.0
59.01373	100.0
59.04953	0.8
60.01704	1.3
64.96997	0.8
66.23914	0.9
71.01369	11.4
72.99295	0.9
73.02927	3.4
78.71934	1.0
83.01398	1.4
85.02930	7.7
87.00870	1.5
89.02443	6.2
93.03439	2.2
99.00881	1.3
101.02438	8.7
107.04987	2.7
113.02433	5.1
115.00333	1.7
131.03499	1.4
133.02908	2.8
134.03703	2.0
135.04507	19.9
136.04793	1.7
137.02428	3.2
149.04558	1.5
151.07571	0.9
161.02408	6.6
161.04524	2.1
163.04013	1.1
175.02440	3.4
179.03465	14.6
179.42294	0.8
179.94580	0.9
191.05566	1.5
227.49265	1.0
234.11809	1.1
269.10336	2.5
311.09650	13.7
311.59680	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	311.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34986	0.7
50.42962	0.7
55.01862	0.7
59.01373	100.0
60.01724	1.3
62.68795	0.7
71.01373	8.7
73.02946	3.1
83.01413	1.5
85.02943	6.5
87.00886	0.8
89.02433	1.7
93.03448	10.4
95.01405	1.3
97.32758	0.7
99.00907	1.5
101.02415	5.3
106.16324	0.7
113.02465	4.9
115.00364	3.7
116.07182	1.4
119.05037	1.1
126.99468	0.7
133.02975	2.6
134.03752	7.7
135.02969	1.0
135.04517	23.3
136.04861	1.6
137.02434	19.6
138.02782	1.1
139.28366	0.7
161.02420	6.0
161.04572	3.0
162.02756	0.9
163.04008	1.2
173.04539	8.6
175.02417	6.5
179.03481	15.2
180.03816	1.5
193.05006	5.2
195.05492	0.6
233.66084	0.7
238.33061	0.8
269.10318	2.8
294.01270	0.9
311.09592	11.9
311.59723	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	311.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.8
59.01374	100.0
60.01714	1.4
61.98812	0.8
67.01873	2.1
69.03461	0.7
69.72694	4.0
71.01376	12.1
72.99309	0.9
73.02935	3.2
75.00871	1.3
83.01358	0.9
85.02938	3.4
87.00867	1.5
89.02444	6.6
93.03447	14.8
94.03775	0.7
97.02919	0.6
98.19862	1.2
99.00893	3.0
101.02441	12.0
107.58638	0.7
109.02962	2.1
111.04531	2.1
113.02435	4.7
114.52264	0.7
115.63292	0.7
119.03494	2.5
119.05019	1.7
131.03470	0.8
131.33553	0.7
135.04520	1.9
137.02434	18.7
149.04662	1.1
149.06059	2.0
155.03488	1.6
159.03090	1.2
161.04552	9.8
161.05884	1.1
163.04021	2.0
173.04526	25.5
173.05994	1.3
174.04958	0.7
177.05563	6.3
177.52815	0.8
189.05653	2.6
191.05542	5.1
219.98540	0.7
221.04506	4.5
251.11342	21.6
252.11595	1.2
267.08633	0.7
274.29044	0.7
275.57462	0.7
311.07175	1.8
311.10410	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	311.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32231	0.8
51.47495	0.8
59.01373	100.0
60.01710	1.6
69.56821	0.7
71.01369	9.3
71.42036	1.3
72.65492	0.8
73.02932	3.3
75.00869	1.9
78.95879	1.1
83.01377	1.2
85.02931	5.8
85.73280	0.8
87.00913	0.7
89.02439	4.6
93.03436	3.0
95.01342	0.9
99.00844	2.0
101.02432	9.4
113.02432	4.6
119.05014	4.4
123.04462	1.3
127.00359	7.1
129.01915	1.2
134.04688	2.1
135.04498	2.2
137.02402	1.8
151.03958	2.0
153.05487	0.9
157.01350	0.8
159.02882	1.7
161.04550	10.1
163.03993	9.4
164.38895	0.8
173.04543	6.1
173.69460	0.8
177.05522	1.2
191.03464	1.7
251.11319	25.6
252.11748	1.4
310.70297	0.8
311.04086	0.8
311.07532	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	311.186
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
56.68337	0.7
57.03434	1.0
59.01374	5.9
71.01366	1.3
71.15476	0.8
71.15800	0.9
76.32114	0.7
83.05038	0.8
84.03586	0.6
89.02415	0.8
95.01385	0.7
96.21602	0.6
97.06548	0.7
101.02441	0.9
107.05013	0.8
113.02417	0.8
121.02987	1.0
122.03721	0.9
123.00861	0.9
125.02416	0.7
135.04498	3.5
153.12825	0.7
157.08675	1.6
161.02434	0.9
167.14383	2.5
171.10258	1.3
179.03493	3.1
183.10368	0.7
183.13846	3.0
186.69070	0.6
191.77043	0.6
193.15880	0.9
207.17513	0.7
211.13361	1.2
223.20631	1.4
231.17393	0.7
248.81281	0.6
249.18558	5.1
251.11356	1.0
267.19604	100.0
268.19931	8.6
275.16507	6.8
276.16858	0.9
293.17566	36.0
293.20950	4.5
294.17905	4.1
294.20721	0.7
311.09470	2.8
311.18579	46.3
311.22220	27.5
311.59601	0.8
312.18933	5.4
312.22562	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55090	0.6
57.03422	1.7
59.01361	1.7
71.60480	0.8
83.05021	0.8
99.08170	0.8
113.09725	4.7
121.10210	1.1
125.09692	1.5
127.11263	1.7
137.09706	1.3
139.11261	18.7
140.11583	1.1
151.11266	0.8
153.09181	1.2
155.10748	1.8
167.10703	1.0
171.10248	27.9
172.10579	1.5
181.12375	1.1
185.11780	2.1
193.12395	1.0
197.11819	1.1
201.11223	2.3
211.13341	4.3
221.93201	0.7
249.22168	1.0
275.20157	1.9
293.21198	26.0
294.21506	3.3
311.22238	100.0
312.22552	11.2
322.40613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03435	2.0
59.01378	11.4
68.37954	0.8
71.01366	1.3
71.61342	1.0
85.02946	1.4
92.78730	0.7
113.02375	0.8
116.39127	0.7
128.49237	0.8
135.04514	2.0
147.15308	0.9
161.02528	1.0
161.04535	0.8
161.30392	0.9
171.10295	2.1
175.59488	0.8
179.03464	1.8
183.01195	2.2
197.02788	2.6
213.96913	0.8
249.22203	50.9
250.22432	3.9
251.11313	2.0
267.23126	1.8
293.21176	18.7
294.21506	3.3
311.09363	3.6
311.16980	13.0
311.22238	100.0
311.59564	2.5
312.17194	1.0
312.22592	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	311.2225
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
57.03446	1.0
58.28611	0.7
59.01375	6.8
65.65881	0.6
67.72889	0.6
70.52101	1.2
71.01380	1.1
73.63599	0.7
83.05008	1.5
85.02948	0.8
85.06594	1.1
87.04502	0.8
90.17626	0.5
95.01394	0.6
95.04987	0.9
97.06570	0.8
99.08159	0.5
109.06590	1.1
113.81745	0.6
117.60208	0.5
127.07655	0.9
129.09183	1.4
135.04512	2.2
141.09195	0.6
145.28470	0.6
161.02464	0.8
169.12311	2.4
171.10236	2.0
179.03447	1.6
179.14420	0.7
183.13753	2.9
195.13869	10.5
223.16982	1.3
234.76994	0.7
237.18555	0.6
251.11424	0.6
275.20108	2.6
278.83136	0.6
290.12729	0.5
291.19592	0.8
293.21207	12.9
294.21579	1.2
311.09549	1.6
311.22241	100.0
311.59692	0.8
312.22614	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53071	0.7
57.03444	3.1
59.01362	3.0
69.03420	0.8
70.88982	2.3
83.92489	0.7
88.86280	0.8
91.46649	0.7
94.90478	0.8
99.08149	2.8
113.09708	3.3
128.06798	0.7
129.09212	4.9
135.04582	1.0
139.11250	3.1
153.12863	0.8
169.12331	1.6
169.31189	0.8
171.10248	6.7
181.12340	3.7
183.13844	2.5
193.12331	3.4
197.11800	5.7
199.13400	2.6
211.13379	15.4
212.13733	1.2
249.22400	1.1
265.21765	1.2
275.20123	1.4
293.21198	20.2
294.21579	2.0
311.22238	100.0
312.22574	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	311.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07066	0.7
57.03430	2.3
57.24218	0.7
71.07172	2.1
71.81805	0.8
83.05035	1.2
88.76936	0.9
97.06552	1.4
99.08125	1.5
113.09688	2.1
125.09728	1.5
127.11243	2.3
129.09192	3.0
139.11288	5.8
151.11092	0.8
153.12848	0.7
155.10741	1.2
156.92447	0.7
167.10873	0.9
169.12271	1.5
171.10240	29.8
171.11650	1.8
172.10582	0.8
181.12296	1.6
183.10275	2.1
185.11789	4.9
193.12286	2.6
197.11798	6.1
197.38773	0.8
199.13347	2.5
201.11282	3.1
209.11810	0.8
211.13383	10.2
275.20078	4.0
293.17914	1.1
293.21201	17.0
311.22244	100.0
312.22638	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.8
59.01358	2.0
68.12776	1.0
71.38110	2.4
77.70219	1.0
83.53760	1.1
99.59329	0.9
114.44290	0.9
121.10243	2.5
125.09695	1.3
127.11272	4.5
129.09230	3.1
132.74561	1.0
139.11266	7.7
139.35526	1.0
155.10788	2.5
171.10248	44.2
181.12233	1.4
183.10246	3.8
185.11751	7.2
186.12326	1.2
197.11740	3.7
201.11293	8.7
202.11594	1.2
211.13396	6.5
243.10745	1.2
275.20047	3.2
293.21185	15.5
294.21521	1.7
311.22223	100.0
312.22610	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.1
60.01712	1.4
61.98811	2.7
69.58079	6.6
70.91696	1.1
71.01373	16.0
73.02946	2.9
85.02943	4.1
87.00866	2.3
89.02433	12.9
93.03424	2.5
94.03758	1.2
101.02438	14.3
107.05029	1.1
113.02435	2.2
119.03493	2.8
122.03737	0.9
122.70496	0.9
123.04533	2.8
129.67934	1.0
130.08728	100.0
131.03473	1.2
131.09050	2.9
137.02435	2.8
138.02748	2.8
140.91132	1.0
150.03180	3.5
150.05577	3.4
151.04007	10.4
151.05966	1.0
161.04448	1.2
163.06088	4.0
173.04538	2.6
174.04874	3.2
178.05923	1.6
181.07147	91.7
182.07462	4.2
216.54883	1.1
221.14102	2.7
240.99649	1.0
312.10764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.9724
Annotation	Perfluorohexanoic acid
Peak:m/z	Relative Intensity
51.50836	4.2
59.01361	14.8
61.98837	4.2
63.43535	3.9
76.94830	4.1
118.99258	34.4
121.02957	26.3
123.27808	4.4
175.68977	3.7
204.24644	3.8
223.10002	4.3
253.09373	10.3
266.66470	4.7
268.98251	100.0
313.06995	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	313.0714
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01366	1.1
61.98837	0.2
69.45289	0.2
69.69376	1.4
72.61808	0.2
77.03961	0.3
114.25630	0.2
121.02940	100.0
122.03274	4.3
123.04488	0.2
151.03993	0.6
154.04027	0.2
180.05760	1.1
181.06583	4.1
182.06935	0.3
183.13916	0.3
199.07639	0.3
212.82057	0.2
225.05544	6.8
226.05865	0.3
253.09212	0.4
269.08316	0.4
313.07117	17.0
313.23776	1.7
314.07452	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0926
Annotation	Bungeiside A
Peak:m/z	Relative Intensity
56.29786	0.4
59.00564	0.4
59.01374	3.4
62.37512	0.4
68.99796	0.5
69.74243	2.0
69.74644	0.6
71.01370	3.2
73.02934	0.6
77.34296	0.4
85.02953	1.3
87.00875	2.0
89.02412	2.4
93.03458	1.1
101.02457	1.1
105.03452	1.8
107.05031	3.2
108.02132	1.2
108.92677	0.4
109.02952	1.9
113.02436	1.3
119.03536	0.6
121.02938	1.3
122.03735	2.9
123.04511	31.3
124.04839	1.6
134.03749	1.1
149.02451	4.2
149.77945	0.5
150.03207	43.1
151.03987	100.0
152.04349	5.5
153.05560	3.3
161.04500	0.6
174.73428	0.5
193.05002	1.7
224.09871	0.4
313.09244	7.1
314.09641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0926
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
54.76558	0.2
57.95892	0.2
59.01376	2.8
67.02655	0.3
67.46719	0.2
69.51485	0.7
69.51902	0.9
71.01378	1.7
78.54350	0.2
85.02948	0.4
89.02443	1.3
89.82182	0.3
101.02432	1.0
107.05020	0.7
108.02184	0.4
109.02940	3.5
111.00883	0.3
113.02436	0.5
117.59013	0.3
119.01873	0.2
119.03465	0.7
119.04984	0.3
122.03748	0.3
123.00871	0.7
124.01658	0.5
150.03203	1.1
151.03995	100.0
152.04337	4.6
186.11371	0.4
313.09274	9.8
313.12631	0.4
314.09555	0.9
314.12717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0924
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.01855	2.6
57.03426	3.8
59.01373	17.2
60.53566	1.8
70.98174	3.9
71.01376	54.9
71.15736	2.3
73.02927	17.6
75.00853	3.1
83.01385	5.1
85.02940	18.2
87.00871	4.3
87.04518	2.5
89.02441	9.8
93.03432	2.5
95.01415	4.8
98.20223	3.6
99.00878	5.8
101.02436	24.2
103.03972	2.5
106.04243	9.2
107.05018	83.9
108.02131	3.6
108.05351	3.4
113.02427	22.1
119.03489	4.9
121.02962	3.1
123.04517	10.2
131.03468	7.6
132.06651	2.6
133.05058	8.7
150.03168	10.8
151.03989	100.0
152.04353	3.4
153.05559	6.6
159.02968	4.7
161.04546	13.3
253.09196	2.5
299.96381	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	313.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
71.01371	8.2
73.02931	10.1
79.82040	0.7
81.07087	7.9
84.94317	0.6
87.00852	2.5
89.02430	2.1
101.02444	3.6
103.03997	3.7
104.11995	0.6
119.03485	1.2
121.10213	2.6
147.02985	1.3
150.12032	0.6
165.09184	100.0
166.09531	5.7
229.14384	0.8
250.88049	0.6
253.09235	1.0
313.13010	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	313.2379
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.87499	0.3
57.03426	0.3
58.00346	0.3
59.01361	0.6
68.40646	0.3
69.86724	1.1
70.01759	0.3
71.01375	0.3
88.14549	0.3
93.74846	0.3
97.06564	0.3
111.19893	0.2
121.02959	0.4
125.09697	0.7
127.11273	1.1
140.74120	0.3
141.12796	0.5
155.10751	3.7
171.10234	4.9
172.52202	0.3
184.19705	0.3
253.09241	0.4
265.21655	0.3
267.23254	0.6
269.24796	0.3
277.21652	0.7
281.18109	0.4
295.22702	7.6
296.23120	0.8
311.22208	1.1
313.23779	100.0
314.24124	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	313.238
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01371	100.0
60.01711	1.0
60.96776	0.4
61.98843	0.6
68.15819	0.4
71.61031	0.5
71.61452	0.6
82.94785	0.4
121.02938	0.5
151.03954	1.0
225.22240	1.6
244.87875	0.4
248.28395	0.4
253.09427	0.5
253.21674	5.9
254.22141	0.5
271.22742	43.9
272.23151	4.7
313.23804	17.7
314.24136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
70.51904	1.9
71.01369	0.6
95.04984	0.4
97.06583	0.6
101.02417	0.6
102.55222	0.4
113.09715	1.0
123.04546	0.5
137.33057	0.5
143.10776	0.9
151.03973	1.3
169.12318	6.5
185.11842	1.2
227.95872	0.5
253.09167	0.8
277.21707	1.8
286.68814	0.5
295.22739	13.5
296.23038	1.4
308.71356	0.5
311.22247	1.5
313.23798	100.0
314.24112	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	313.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90742	0.6
57.03445	3.5
59.01382	6.4
62.53103	0.7
63.40771	0.6
69.17427	0.7
71.01389	1.1
79.68858	0.8
83.05014	0.9
85.06592	0.7
94.53724	0.6
95.01374	1.5
99.08144	1.2
100.81863	0.7
109.06560	0.9
111.00825	1.1
111.08147	0.9
121.02990	1.0
127.07581	0.9
129.09203	5.9
139.00356	2.4
148.89525	0.6
151.03970	2.9
154.44124	0.7
163.00116	1.9
183.13873	32.6
184.14207	2.2
193.01178	2.1
225.16589	1.1
247.55212	0.7
251.20175	1.3
253.09238	2.8
261.76358	0.9
295.22711	6.2
311.22260	0.8
313.06857	3.5
313.23785	100.0
314.24182	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01374	9.9
61.98818	1.7
69.63565	2.1
69.63992	1.9
71.01374	7.4
72.03878	0.6
73.02947	0.7
75.00861	0.6
81.03417	1.3
83.01376	0.6
85.02945	2.6
89.02434	6.6
93.03448	1.2
95.01381	1.5
95.49194	0.6
101.02420	3.6
107.05011	0.8
108.02166	62.5
109.02964	22.1
113.02422	3.7
118.98062	1.6
119.03492	2.5
121.02958	1.4
122.03744	1.0
123.00888	1.9
123.04517	73.1
124.01653	1.1
124.04848	2.4
128.32513	0.6
134.03743	2.0
135.04518	16.7
136.04863	0.6
151.04037	1.1
152.01140	44.9
153.01953	25.0
153.05565	100.0
154.02324	0.8
154.05887	5.0
161.04596	0.7
163.03998	1.0
165.01926	1.1
167.03496	1.0
193.04948	0.7
195.03090	0.8
230.48630	0.6
285.31223	0.7
315.07211	54.8
315.10834	12.6
316.07578	4.3
316.10934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
57.03422	1.2
58.00585	4.9
59.01373	100.0
70.41252	2.7
71.01375	50.5
72.99289	2.9
74.45930	0.9
81.84966	0.9
83.01382	2.4
85.02939	8.6
87.00879	2.5
87.35625	1.0
89.02432	63.3
90.02769	1.5
95.01385	4.4
98.20161	1.7
101.02436	28.4
107.05017	4.1
108.02158	26.5
109.02942	1.4
109.32896	1.0
113.01681	1.5
113.02434	20.8
115.00218	0.9
119.02624	1.6
119.03484	26.8
121.06773	0.8
123.04494	4.2
131.03445	1.2
134.03725	5.1
135.04510	42.0
136.04823	1.5
143.03462	2.3
149.04514	1.3
153.05562	7.5
179.05594	2.6
259.35956	1.2
315.10809	20.2
316.11142	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	315.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.6
58.00574	3.2
59.01372	100.0
60.01684	1.9
64.25284	1.3
64.27106	1.2
69.82832	7.2
69.83202	3.0
71.01373	49.6
72.99287	2.4
76.40294	1.4
85.02925	8.1
89.02433	48.6
95.01365	4.9
98.19942	2.2
101.02434	28.7
113.02434	19.0
118.84013	1.3
119.03488	22.3
123.04508	68.3
124.04827	3.5
125.85622	1.4
129.25542	1.2
135.04510	86.5
136.04796	4.0
143.03447	2.4
153.05551	96.9
154.05861	4.0
169.87521	1.4
179.05643	2.2
231.68105	1.6
241.47038	1.7
315.10806	95.7
316.11151	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	315.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88638	1.3
58.00578	3.8
59.01372	100.0
60.09519	1.4
71.01372	48.2
71.19658	2.8
72.99300	2.8
83.01378	4.0
85.02941	9.7
89.02437	50.5
89.02995	2.6
95.01376	4.1
97.48237	1.2
101.02430	28.5
105.78406	1.3
113.02441	16.0
119.03487	25.4
123.04548	2.6
131.03488	2.3
134.03703	1.6
135.04507	83.6
136.04834	2.7
153.05536	3.2
161.04596	1.7
179.05580	4.0
185.77461	1.2
315.10822	99.4
316.11124	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	315.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.4
58.00573	2.5
59.01373	81.9
60.01704	1.2
69.41424	5.7
69.41827	1.9
71.01373	43.6
72.99300	3.4
73.02953	1.2
83.01381	2.5
85.02945	8.6
87.00858	2.2
89.02434	43.1
90.02757	1.0
95.01360	2.4
101.01771	1.4
101.02433	29.5
105.35688	0.8
108.02142	5.9
109.02914	3.1
113.02439	17.9
119.02647	1.0
119.03498	20.7
122.03770	1.0
123.04514	30.6
124.04814	1.2
130.93770	0.9
133.05067	4.6
134.03679	1.1
135.04512	80.8
136.04826	2.5
143.03455	2.1
149.04517	1.9
152.01114	4.4
153.01979	4.9
153.05563	41.8
154.05904	2.7
161.04498	2.0
179.05551	2.4
254.94972	0.9
287.42862	0.9
291.92053	1.0
315.07214	9.3
315.10776	100.0
316.11166	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	315.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
58.00579	3.5
59.01373	88.1
60.01685	1.7
69.77441	6.8
71.01374	42.7
72.99312	3.5
83.01389	2.9
84.20701	1.2
85.02948	10.5
87.00861	2.2
89.02435	42.1
95.01369	3.1
101.02435	27.4
113.02438	14.6
119.03489	21.4
123.04510	43.9
124.04847	1.3
131.03494	2.0
135.04512	77.3
136.04855	3.8
143.03450	1.9
153.05556	55.1
154.05891	3.1
161.04526	1.3
173.84692	1.2
179.05591	2.7
188.03294	1.2
205.59760	1.3
240.35968	1.3
278.46582	1.4
315.10800	100.0
316.11200	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	315.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
71.01373	18.1
73.02933	2.2
83.85368	0.7
115.00358	16.2
117.72182	0.7
133.01427	1.1
135.04553	1.0
135.08179	1.0
137.09697	5.9
155.10768	100.0
156.11092	6.1
197.11926	0.8
197.87808	0.7
199.09738	86.6
200.10075	4.9
279.25467	0.7
315.10849	2.5
322.14285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59430	0.6
54.81037	0.5
57.03439	5.1
59.01373	1.6
64.20915	0.7
69.03448	13.7
69.35393	2.3
69.35818	2.9
69.79926	0.7
71.01391	0.7
71.05015	2.9
108.90306	0.6
111.08144	3.4
113.06060	1.4
123.08134	1.3
131.03506	1.1
135.04506	1.3
139.11267	17.8
140.11623	0.8
153.05545	1.3
162.05743	0.6
183.10236	100.0
184.10580	6.7
271.10785	0.8
315.10901	1.0
315.14410	17.5
316.14865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1596
Annotation	3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
Peak:m/z	Relative Intensity
51.57119	0.4
59.01359	1.8
62.04564	0.4
63.37887	0.3
70.24601	0.8
70.24995	0.7
71.01345	0.5
93.03435	1.4
93.63033	0.4
95.01369	0.6
105.03441	0.9
108.02182	0.6
114.21694	0.3
117.03452	66.5
118.03706	1.1
118.04236	2.9
119.05009	10.3
121.02940	55.0
122.03271	2.4
123.04503	19.5
124.04875	0.8
125.09701	0.3
132.02155	0.6
133.02937	12.8
134.03746	5.9
135.04472	1.0
145.02924	10.9
146.03194	0.5
149.02425	1.4
151.07611	2.4
162.03201	20.4
163.03989	15.7
164.04335	0.6
167.48256	0.4
172.08900	1.6
195.06557	1.7
195.41431	0.3
221.19057	2.5
239.20152	0.5
265.18073	1.4
269.21161	0.5
269.61713	0.4
271.16959	2.8
273.08301	1.0
283.19067	3.2
287.22241	4.7
288.22385	0.4
315.15952	100.0
315.21811	4.0
315.25430	2.4
316.16278	12.0
316.22015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54873	0.4
59.01367	2.1
61.02597	0.4
62.76439	0.4
69.30148	3.6
71.01390	0.7
89.02414	0.5
93.03448	1.8
95.01408	0.4
95.05030	0.6
105.03456	1.0
107.12366	0.4
108.02162	0.4
117.03451	66.3
118.04381	3.8
119.05013	10.5
121.02939	58.6
122.03301	2.2
123.04504	20.1
124.04863	0.4
132.02113	0.7
133.02948	10.5
134.03746	4.8
135.04509	0.6
145.02921	10.4
146.03284	0.5
149.02402	1.0
151.07637	4.7
162.03201	21.5
163.03984	17.4
163.06059	0.5
164.04430	1.0
172.08846	1.9
195.06674	2.6
221.19186	1.0
265.18161	0.6
271.17029	2.5
283.19131	1.6
315.15945	100.0
316.16272	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	315.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29383	0.8
55.01877	7.4
57.03442	5.5
58.00585	3.1
59.01373	54.6
59.41394	0.7
70.40348	2.6
71.01372	100.0
72.01689	1.1
72.99294	3.6
73.02937	27.1
75.00848	1.9
83.01381	12.2
84.02158	1.1
85.02940	44.6
86.03262	1.0
87.00869	3.3
89.02435	22.9
95.01369	7.8
97.02933	2.5
98.20592	0.9
99.00865	14.0
101.02433	59.0
102.02794	1.4
113.02431	42.6
114.02801	1.3
119.03495	8.4
125.02453	1.8
127.78104	0.7
129.01901	1.5
135.04427	0.9
143.03519	1.9
147.29977	0.8
152.19638	0.7
159.02979	5.9
159.56540	0.8
161.04549	27.5
205.03534	0.9
300.13757	0.9
315.10892	1.3
315.18329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.2
59.01368	19.6
71.62315	3.2
93.03465	4.8
96.95975	3.0
97.06579	9.6
113.09741	10.9
123.04515	5.0
123.08187	10.6
125.09711	73.8
126.10037	2.8
127.11285	3.6
135.04462	3.2
141.09215	2.8
153.05577	3.8
155.10699	3.4
159.10254	100.0
160.10596	5.3
162.69005	2.8
166.48241	3.2
173.11833	62.5
215.16705	2.9
217.00288	8.2
232.99751	3.6
254.85684	6.1
309.19006	2.7
315.21799	100.0
315.25372	16.5
316.22214	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	315.2534
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
59.01362	1.0
66.56387	0.2
69.30114	1.7
71.01368	0.8
73.80882	0.2
75.70519	0.2
78.46579	0.2
83.05070	0.3
83.60229	0.2
84.68003	0.2
88.02316	0.2
89.02430	0.4
93.03501	0.3
97.11639	0.2
100.71973	0.2
101.02407	0.4
111.05992	0.2
119.05001	1.2
121.02958	0.8
123.04480	0.3
125.06083	0.5
127.11287	1.1
134.03723	0.3
135.04482	0.9
139.11253	0.4
141.12814	1.7
149.29642	0.2
151.07623	3.2
155.10751	0.4
155.14331	0.3
157.12352	0.8
163.03983	0.4
185.11813	0.2
195.06619	2.0
229.42848	0.2
267.23276	0.9
269.24789	1.2
297.24307	2.5
298.24747	0.3
313.23834	1.3
315.25342	100.0
316.25684	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	316.1113
Annotation	Skf-83959
Peak:m/z	Relative Intensity
58.00567	2.8
59.01373	82.1
60.01710	13.5
61.01783	1.3
66.17929	1.3
71.01373	34.9
71.11612	2.1
72.01711	9.8
72.99287	2.8
83.01392	1.8
85.02936	6.6
86.03269	2.5
87.00845	1.8
89.02433	32.5
90.02758	10.5
95.01347	2.5
101.02425	20.8
102.02773	7.8
113.02444	10.3
114.02753	5.2
119.03483	12.5
120.03830	6.1
123.04501	2.9
123.05875	1.0
124.04838	3.0
131.03474	1.5
135.04512	38.5
136.04837	43.8
137.04984	1.7
143.03397	1.2
153.05502	3.2
154.05887	4.4
170.99582	1.0
213.44833	1.0
216.02647	0.9
219.32693	1.0
265.17984	1.0
316.11136	100.0
317.11349	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	317.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08619	1.1
52.12928	1.1
58.99587	4.3
59.01381	7.2
61.47455	1.2
62.42707	1.1
67.01863	1.6
71.01375	8.4
71.61380	1.7
72.99290	2.6
73.02928	1.1
74.99093	10.2
78.98582	3.5
79.95726	5.9
80.96515	40.4
80.96994	2.6
81.03445	1.9
85.02927	3.9
87.00845	3.5
89.02431	3.0
93.03454	16.8
94.98062	9.4
95.01357	2.0
95.05034	2.0
96.95998	1.4
97.02951	1.6
98.70657	1.3
101.02396	2.6
106.98089	1.8
109.02940	2.2
111.00835	1.6
112.04033	2.2
113.02443	1.5
117.05547	1.9
118.98076	1.6
120.99643	85.0
121.02943	17.6
122.97552	1.6
123.04505	5.9
124.04772	1.8
125.02415	3.5
125.04986	1.7
133.02939	4.4
134.97552	2.5
136.99117	12.2
137.02448	2.0
138.05568	1.5
139.00349	27.6
140.01147	36.2
141.01343	2.4
148.99097	4.4
149.06079	2.8
151.03999	42.6
152.01105	1.4
152.04315	2.1
152.98584	4.4
153.01881	4.0
153.05522	5.1
154.02701	8.6
154.05949	2.2
155.03499	36.8
155.06046	2.1
164.98618	8.3
173.04541	1.9
179.07089	1.9
195.02980	28.5
197.04625	1.6
225.00728	14.3
229.01840	2.5
241.77908	1.2
302.06485	3.3
317.05405	100.0
317.08578	8.3
318.05771	6.1
318.11859	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	317.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58099	0.6
70.47015	2.4
71.01373	5.7
73.02959	0.8
78.98580	3.1
79.95728	5.4
80.96507	41.4
85.02941	1.7
88.89802	0.6
94.98061	8.8
101.02415	1.4
106.98037	1.2
122.97575	2.0
125.02412	2.7
127.75651	0.7
134.97566	3.2
148.99167	4.4
152.98599	5.0
157.31775	0.8
164.98598	7.2
171.55309	0.7
189.67113	0.7
193.13402	0.6
206.99597	2.1
211.43039	0.7
225.00706	12.1
225.96298	0.8
317.05411	100.0
318.05649	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	317.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
59.92622	0.6
63.79818	0.4
70.00804	2.3
71.01371	5.9
71.20316	0.5
73.02939	0.9
78.98596	3.5
79.95741	4.8
80.96508	47.1
85.02953	2.0
87.00859	1.7
94.98075	10.5
97.02943	1.4
98.20483	0.7
99.00862	0.6
100.23763	0.6
101.02449	1.8
106.98056	1.7
113.02492	0.6
120.99642	8.6
121.02918	0.7
122.97572	1.8
123.33342	0.5
125.02461	2.7
134.97583	4.3
136.99142	1.3
142.64624	0.5
142.82220	0.5
143.03438	0.7
148.99139	4.2
151.03975	0.9
152.98595	4.6
153.05580	0.7
164.98595	9.6
195.02995	0.5
206.99687	2.2
225.00713	15.1
226.00961	0.6
246.25496	0.8
317.05432	100.0
318.05753	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	317.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39294	0.5
59.01370	1.1
67.38367	0.4
69.66634	3.2
71.01373	3.6
80.96516	1.3
85.02916	0.6
85.10381	0.4
87.61806	0.5
98.19894	0.5
99.04507	16.7
111.04520	0.5
115.00377	1.5
120.99643	100.0
121.99983	1.4
123.00909	0.6
123.04492	1.8
129.05573	1.2
151.07634	5.4
154.01428	1.9
155.01776	1.3
173.04558	1.2
194.79309	0.5
195.06612	5.0
199.09746	2.4
201.11316	2.8
212.31354	0.5
229.05341	0.8
291.51813	0.5
317.06497	3.6
317.12268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1024
Annotation	Protofarrerol
Peak:m/z	Relative Intensity
57.46309	0.3
58.78178	0.3
59.01370	100.0
60.01701	1.4
61.83566	0.3
65.03947	3.4
67.01888	0.5
69.03449	1.2
71.01385	0.3
71.61119	0.3
76.06520	0.3
76.19669	0.3
78.62285	0.3
81.03442	5.3
83.01389	0.4
83.05013	7.1
83.05521	0.4
85.02925	1.9
91.05507	0.5
93.03444	37.0
94.03794	1.2
95.01395	0.3
95.05016	0.6
97.02917	0.6
97.06588	0.9
106.04257	0.5
107.01391	0.4
107.05011	6.6
108.02173	0.9
108.05387	0.4
109.02934	14.2
109.06573	1.7
110.03246	0.6
111.04503	33.2
112.04864	1.2
121.02963	0.4
123.04523	2.3
125.02414	0.8
125.06065	11.5
126.06398	0.6
127.03993	3.0
135.00864	0.8
135.04503	19.1
136.01653	0.7
136.04834	0.8
137.02425	20.6
137.06042	1.6
138.02745	0.9
151.03975	7.8
153.05550	19.8
153.20996	0.3
154.05882	0.8
155.03470	2.6
169.05121	1.4
169.35579	0.3
179.03471	11.1
180.03792	0.4
181.14897	0.3
197.04517	7.2
198.04742	0.3
214.52818	0.3
257.08148	2.0
271.09790	0.9
275.09201	21.0
276.09464	1.9
289.10764	1.5
294.51535	0.3
299.09204	0.9
317.10229	27.3
317.20743	0.5
318.10593	2.8
337.71640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1023
Annotation	Protofarrerol
Peak:m/z	Relative Intensity
55.01887	0.4
59.01372	100.0
59.69251	0.4
60.01707	1.0
63.85145	0.4
65.03955	3.4
67.01886	0.8
68.99795	0.6
69.03444	1.0
71.01375	0.4
71.62669	0.7
81.03454	5.6
83.05022	7.4
85.02925	2.0
87.00869	0.5
93.03448	38.4
94.03777	1.2
95.01408	0.4
95.05018	0.6
97.02964	0.4
97.06601	0.9
101.02441	0.4
107.05009	7.9
108.02168	0.7
109.02944	13.4
109.06567	2.1
110.23132	0.4
111.04509	32.5
112.04861	0.9
119.12582	0.3
123.04520	1.9
123.60831	0.4
125.02454	0.9
125.06069	12.7
126.06426	0.4
127.04006	2.1
135.00960	0.5
135.04512	19.3
136.04858	0.8
137.02426	23.1
137.06050	2.4
151.03993	7.7
153.05560	21.4
154.05872	0.9
155.03456	2.3
169.05040	1.1
175.50609	0.4
179.03471	10.2
180.03773	0.4
186.88361	0.4
197.04533	7.5
257.08151	1.8
271.09637	0.7
275.09204	22.4
276.09396	1.9
289.10788	2.6
299.09201	1.4
308.42795	0.4
317.10242	28.0
318.10571	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	317.1025
Annotation	Protofarrerol
Peak:m/z	Relative Intensity
57.22212	0.2
59.01373	100.0
60.01708	1.5
65.03958	3.1
67.01891	0.6
68.99825	0.4
69.03455	0.9
69.44938	0.2
70.36548	0.7
70.36952	0.4
71.01365	0.2
79.01907	0.3
81.03446	5.0
83.01383	0.4
83.05014	7.4
85.02940	1.6
87.00889	0.2
91.05531	0.6
93.03447	37.0
94.03796	1.2
95.01384	0.5
95.05012	0.5
96.02165	0.3
97.02953	0.7
97.06575	1.2
106.04234	0.3
107.01379	0.3
107.05019	7.8
108.02138	0.7
108.05360	0.3
109.02938	13.5
109.06580	1.8
110.03776	0.5
111.04507	32.1
112.04857	1.2
123.04540	1.7
125.02446	0.7
125.06071	11.8
126.06403	0.7
127.03999	2.9
130.47858	0.2
135.00882	0.6
135.04510	18.9
136.04846	0.9
137.02429	20.3
137.06047	1.8
138.02817	0.9
145.07457	0.2
151.03995	7.7
152.04297	0.3
153.05560	19.9
154.05890	0.8
155.03490	2.9
160.73320	0.2
169.05028	1.4
179.03479	9.8
180.03793	0.7
197.02818	0.5
197.04532	6.6
257.08176	1.8
271.09741	0.4
273.11258	0.3
274.08432	0.4
275.09204	18.8
276.09534	1.7
289.10757	1.7
297.06689	0.2
299.09210	0.9
317.10239	26.2
318.10553	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	317.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52357	0.5
53.31955	0.5
55.15637	0.5
57.84902	0.5
59.01363	7.4
59.56142	0.5
66.86167	0.5
71.01367	1.7
71.60957	0.9
73.02932	2.5
75.00853	0.5
78.72934	0.5
80.96539	0.5
81.92215	0.5
83.05016	0.8
87.00869	1.3
99.00861	1.6
99.08090	0.6
105.01917	0.9
107.05003	0.6
109.06553	0.7
111.08107	0.5
117.01936	0.7
119.04940	0.6
122.03686	0.9
124.49785	0.5
135.02982	0.8
135.08151	0.9
137.09685	6.2
138.09978	0.7
155.10754	100.0
156.11069	4.9
161.02408	0.6
163.04015	0.7
181.12341	0.9
199.09720	61.8
199.13437	2.3
200.10066	4.1
207.10320	0.9
211.13327	0.9
221.11502	0.6
225.11288	1.9
227.12898	0.8
228.37273	0.6
235.13466	0.8
237.14946	1.0
241.14388	2.0
243.12206	1.7
253.14348	1.1
257.11771	1.6
269.55048	0.6
287.14972	3.6
317.06067	0.9
317.12405	16.1
317.16003	19.9
317.19711	5.8
318.12753	1.6
318.16348	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	319.0819
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.74409	0.9
54.11448	1.0
57.03433	1.3
59.01127	1.2
59.01373	12.8
59.75770	0.9
65.03956	1.3
69.36542	7.8
69.36952	1.5
70.02962	1.8
71.01371	6.5
72.00896	2.3
72.94880	1.1
72.99302	1.9
73.02928	2.8
81.03431	2.2
83.05010	4.9
84.38046	1.1
85.02927	1.9
89.02441	8.0
93.03445	35.2
94.03808	1.2
99.00857	1.3
101.02428	3.2
109.01678	4.3
109.02927	1.5
110.02486	6.8
111.04502	11.5
113.02433	2.2
116.05042	4.2
117.03442	8.5
119.03583	2.9
119.05010	98.6
120.05394	5.2
120.99590	1.7
124.24271	1.0
135.04492	1.3
137.01410	1.9
137.02434	25.4
139.07625	3.3
142.06578	1.3
145.02943	21.5
155.03485	23.9
159.09169	1.1
163.03987	100.0
164.04280	5.9
173.04579	1.6
179.03499	1.3
203.08237	9.9
203.50356	1.0
213.10411	1.5
283.07141	8.5
296.82230	1.2
301.08173	5.0
308.56888	1.1
318.58432	1.3
319.08203	20.5
319.13928	2.1
320.08496	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	319.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23648	0.8
55.01883	1.2
57.03434	1.1
58.00583	2.4
59.01373	62.4
63.53566	0.9
71.01375	31.1
72.01714	0.9
72.99300	1.8
73.02921	2.1
80.27748	0.8
83.01383	2.5
85.02939	8.3
85.06609	1.2
87.00860	1.2
89.02437	30.1
95.01375	2.6
98.20654	1.5
99.04513	33.3
101.02433	20.8
113.02444	10.4
119.03487	10.4
120.99638	2.5
122.99225	7.5
123.00025	1.4
125.09715	2.4
135.04506	1.4
139.07634	15.2
143.03490	1.4
150.03140	1.7
157.08723	2.1
171.10254	1.7
201.11292	11.0
202.11639	1.0
215.09174	2.5
228.00763	0.8
232.63916	1.0
275.11121	1.0
319.13925	100.0
320.14163	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	319.1394
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
50.58867	0.9
55.01861	4.2
57.03431	4.0
58.00577	2.8
59.01371	86.7
61.98791	1.2
67.01913	1.0
70.84768	0.8
71.01375	100.0
71.60325	1.6
72.01732	2.3
72.99301	4.4
73.02936	18.7
75.00851	1.1
76.16396	0.8
78.95883	5.7
80.19096	0.8
82.96089	1.7
83.01372	11.2
83.04998	1.4
85.02941	36.3
85.57935	0.9
87.00857	4.5
89.02431	50.8
93.03449	1.8
95.01365	8.0
96.96954	11.2
97.02930	1.9
97.09807	0.9
97.14546	0.8
99.00870	9.7
101.02432	67.6
102.02781	1.5
107.05019	1.3
109.06552	3.1
111.00842	1.4
111.04539	4.6
113.02431	42.5
119.03490	22.3
125.02422	2.8
129.01974	1.5
131.03439	2.4
133.38330	1.0
137.11620	0.9
139.07616	3.0
143.03477	6.9
145.04997	3.4
155.07166	1.3
157.08678	23.3
159.02979	8.8
161.04532	55.7
162.04817	1.9
173.04564	4.6
179.05560	4.4
248.95319	1.1
319.05713	5.4
319.10403	1.9
319.13907	54.5
320.03574	1.0
320.14270	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	319.1392
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01854	1.3
57.03435	1.9
58.00577	2.1
59.01371	38.7
61.60307	0.7
62.26799	0.6
67.14619	0.7
69.03447	0.8
71.01374	21.7
71.31587	1.2
71.31937	0.7
72.99289	2.2
73.02950	2.0
83.01398	1.0
84.02160	0.9
85.02940	4.2
87.00887	1.1
89.02431	14.0
95.01360	1.4
99.00835	1.0
101.02428	12.5
111.08149	18.4
112.08456	0.7
113.02444	5.8
115.64932	0.6
115.88651	0.7
119.02768	0.8
119.03471	4.9
121.02829	0.7
128.29068	0.6
135.04504	0.9
139.07608	4.6
140.08022	0.6
141.09167	0.8
143.03479	0.8
149.02501	1.1
153.09215	1.5
157.08679	60.4
157.58881	0.7
158.09019	3.1
161.04527	0.7
179.03442	1.3
179.05676	0.9
199.09703	1.7
209.55714	0.6
246.33260	0.8
319.13919	100.0
320.14264	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	319.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82535	0.4
55.01870	1.1
57.03439	1.3
58.00578	1.2
59.01372	39.7
69.65346	1.1
69.65755	2.1
71.01374	20.2
72.99306	2.5
73.02933	2.2
75.00901	0.5
83.01366	1.8
84.02142	1.2
85.02943	5.7
87.00854	1.9
89.01905	1.1
89.02436	16.3
90.02739	0.7
93.03455	1.0
95.01367	1.7
98.19871	0.9
101.02431	13.4
103.02477	0.5
111.08147	18.7
112.08447	1.0
113.02428	7.0
119.03481	6.8
119.05006	1.6
131.03445	0.7
135.04492	0.7
139.07649	6.0
141.09245	1.0
145.02887	0.7
153.09206	1.6
157.08679	63.6
158.09018	2.9
159.10130	0.7
161.04468	0.9
163.04080	0.9
171.10170	0.6
179.03531	0.9
179.05437	0.6
197.10600	0.5
199.09686	2.3
257.52875	0.5
295.82660	0.5
319.13919	100.0
320.14297	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	319.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49945	0.7
57.86210	0.7
58.02964	6.7
59.01373	1.2
69.03448	1.7
69.09727	0.7
69.37918	5.3
69.38322	1.4
72.00888	4.3
72.18105	0.7
82.06605	2.0
82.07709	0.7
91.05518	11.1
91.39915	0.7
103.05534	1.2
105.72197	0.7
112.07673	2.6
116.05116	0.7
116.19756	0.9
118.06630	3.1
124.07531	0.8
126.09219	0.8
129.10329	68.1
130.10629	2.1
143.33212	0.7
145.60789	0.7
147.04503	25.0
148.04836	1.9
153.10303	3.3
154.08734	9.6
154.93285	0.8
155.11913	0.7
164.07143	58.3
165.07436	2.2
171.11369	46.7
172.11732	2.1
183.11386	1.0
216.13863	1.0
233.16548	34.6
234.16904	3.2
249.05905	0.8
275.17578	4.9
277.15607	2.1
310.40887	0.9
319.16571	100.0
320.16925	12.5
321.03217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2273
Annotation	2beta,3alpha-Dihydroxy-ent-7,13E-labdadien-15-al
Peak:m/z	Relative Intensity
53.68496	1.6
54.19082	1.9
58.00571	3.8
59.01382	18.5
69.03445	2.1
71.01365	3.5
71.62556	3.2
73.02943	27.8
85.02949	2.4
94.41647	1.8
97.06578	2.4
104.23274	1.5
111.08169	3.3
125.06071	4.1
139.07657	5.4
205.19568	2.6
255.21136	4.1
261.22198	3.9
263.23737	5.1
273.22235	12.7
274.22729	2.0
289.21954	1.8
291.23306	22.7
292.23672	2.8
301.21695	3.9
319.22739	100.0
320.23099	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53858	0.9
52.37951	0.8
55.01869	0.9
57.03434	3.7
59.01375	10.5
68.99816	1.6
69.03449	7.2
71.01377	13.0
71.59962	0.9
71.60314	1.2
71.92718	1.0
72.99287	2.1
73.02940	13.2
78.95901	3.9
81.03462	1.2
83.01380	3.4
85.02942	28.2
85.45479	0.8
87.00869	100.0
88.01205	1.2
89.02458	1.8
95.01412	4.8
96.96013	10.8
96.96962	4.7
97.02940	42.1
99.00867	2.7
99.85048	1.0
101.02419	2.4
103.04005	10.6
111.00858	2.0
113.02438	9.6
114.03203	1.2
115.00375	11.8
115.03982	1.4
129.01904	2.4
141.01918	12.2
157.01364	8.1
164.89471	2.4
171.95612	0.9
175.02452	47.8
176.02748	2.8
182.21483	0.9
182.64915	0.9
211.00240	1.3
217.03513	18.1
218.03822	1.6
303.07227	5.8
321.08383	6.1
322.11252	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	321.0975
Annotation	4-O-Cinnamoylquinic acid
Peak:m/z	Relative Intensity
57.03434	0.9
59.01369	1.2
60.99286	0.5
67.01880	4.8
69.03464	0.7
69.48220	2.1
71.01373	3.1
76.57330	0.3
77.88977	0.3
78.80582	0.3
78.95905	0.6
81.03453	1.0
83.04998	0.9
85.02965	0.7
93.03445	27.1
94.03790	0.9
98.19965	0.6
99.04526	0.4
103.05527	0.7
108.98771	0.3
109.02946	0.9
111.00875	1.0
111.04498	4.2
113.02374	0.3
119.04994	0.4
127.03954	0.5
137.02419	5.0
147.04503	19.2
148.04834	1.1
149.37703	0.3
155.03500	4.6
173.04520	100.0
174.04878	4.7
223.55180	0.3
231.12936	0.3
245.97566	0.3
264.90146	0.3
291.55667	0.3
313.85059	0.3
321.09750	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0974
Annotation	4-O-Cinnamoylquinic acid
Peak:m/z	Relative Intensity
56.42725	0.3
57.18238	0.4
59.01376	2.4
69.85231	0.3
71.01379	0.5
73.94039	0.3
81.33411	0.3
83.05023	1.1
87.00887	0.4
93.03447	2.0
103.05554	2.9
110.17474	0.4
111.04517	1.6
119.05011	1.6
136.07655	5.0
137.06064	0.4
138.05598	0.9
147.04503	100.0
148.04834	5.7
155.03485	2.0
173.04547	3.4
217.02986	0.4
259.14438	1.1
291.20773	0.4
321.09805	2.6
321.14407	1.0
322.09921	0.4
329.46649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.4
57.03448	6.4
59.01379	6.9
62.39486	0.9
69.26936	1.0
70.89349	2.1
71.01380	5.9
72.99293	2.2
75.00864	17.7
83.05016	9.6
85.02946	4.5
89.02435	2.3
99.00871	2.9
101.02428	1.1
109.06571	2.6
111.00884	2.8
111.08147	84.1
112.08472	3.3
129.01102	1.3
129.01927	8.1
129.09193	3.8
134.03717	1.8
141.01900	1.4
147.02992	14.1
165.04022	3.3
173.08159	100.0
174.08485	4.9
193.05066	2.4
203.12820	2.0
224.87761	1.1
238.99324	0.9
254.19942	1.0
303.10825	4.2
321.11823	55.3
322.12125	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	321.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03247	0.4
50.17664	0.4
55.01862	1.5
57.03441	1.0
59.01093	0.7
59.01373	11.9
61.52949	0.4
69.03434	0.4
69.52661	3.1
71.01376	11.4
72.99285	0.7
73.02939	3.1
75.20191	0.4
79.91321	0.4
83.01372	2.3
85.02949	5.1
86.00087	0.5
87.00856	1.5
89.02447	2.2
89.71680	0.4
90.97865	0.4
95.01353	0.7
99.00861	1.2
100.89806	0.4
101.02435	6.8
111.00842	0.7
113.02437	2.7
113.09725	2.6
119.03467	0.4
121.02988	0.5
125.02473	0.7
134.03694	1.5
141.09189	1.0
149.06033	0.6
159.10246	37.5
160.01610	0.5
160.10565	1.7
171.10242	0.5
173.08195	0.6
173.09637	0.9
175.03941	0.5
178.02672	1.2
179.05511	0.7
193.05060	2.5
277.10797	1.1
303.14542	2.3
321.15491	100.0
322.15833	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	321.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
58.00579	3.4
59.01372	88.1
60.01666	1.3
64.97486	0.7
69.40359	2.7
69.40784	3.3
71.01374	46.0
72.01707	1.1
72.99290	2.6
73.02920	1.2
83.01395	2.1
85.02943	10.5
87.00857	1.7
89.02431	45.3
95.01372	3.7
101.02430	27.9
111.81625	0.7
113.02444	17.2
113.09718	1.9
119.03483	19.4
131.03461	2.1
141.09212	13.2
143.03445	1.3
159.10277	6.2
173.11832	0.8
179.05522	1.2
264.87112	0.8
321.15488	100.0
322.15881	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	321.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22427	0.6
59.01372	100.0
60.01701	1.6
69.36172	4.3
71.01385	3.8
76.42254	0.6
88.32121	0.6
89.02434	4.7
96.62067	0.6
99.66222	0.6
101.02444	1.5
113.02455	1.7
119.03493	2.5
131.03534	0.9
136.07692	1.5
160.54840	0.8
167.02505	0.7
173.32478	0.6
179.05713	0.7
321.15671	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
58.00578	1.2
59.01372	38.8
60.62598	0.5
69.43452	2.4
69.43877	1.7
71.01375	18.1
72.99303	0.9
73.02927	1.3
81.44681	0.5
83.01371	1.8
85.02942	3.7
87.00862	1.6
89.02429	17.3
93.03455	1.6
95.01383	1.6
98.20522	0.7
101.02433	13.4
113.02428	6.4
113.09714	23.7
114.10049	0.8
119.03484	6.0
122.27348	0.6
139.07629	0.8
141.09224	5.5
141.30664	0.6
143.03510	0.8
143.10773	1.6
155.10748	2.1
157.08626	1.0
159.10245	57.2
160.10591	3.1
173.04494	4.0
179.05586	0.8
187.11308	0.7
201.11305	2.2
321.15494	100.0
322.15811	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	321.1703
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
52.79003	2.5
57.03432	11.6
59.01373	25.0
69.03432	4.3
69.59959	19.4
69.62634	2.7
69.96704	2.4
71.05020	12.2
81.03436	8.7
83.05009	6.4
93.03434	14.5
95.05017	65.0
97.02940	2.7
97.06582	11.5
98.20591	5.0
107.05021	12.4
109.06562	12.5
111.04519	8.5
121.02922	7.7
121.06623	4.2
121.95146	2.7
123.08147	11.8
125.09705	67.4
125.10592	5.2
126.09987	4.1
130.08775	3.8
133.06589	3.0
135.04524	7.1
136.05205	2.8
140.43024	2.6
147.05484	2.5
149.06076	8.5
151.07629	100.0
152.08002	5.8
167.10759	3.0
171.10287	7.2
177.12837	4.4
178.06412	3.4
185.11774	14.2
186.12135	2.9
203.10707	3.2
205.12230	3.8
207.40976	3.0
219.13925	5.7
221.11798	5.8
223.13359	8.8
235.13345	5.0
247.13316	4.7
263.12808	10.8
264.87558	3.0
265.14417	25.6
266.92471	3.1
279.16028	3.2
285.15021	5.0
303.15927	10.4
321.13644	4.0
321.17056	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2066
Annotation	Rapanone
Peak:m/z	Relative Intensity
54.73107	0.8
56.19397	0.7
59.01372	100.0
60.01691	0.7
71.01362	0.8
71.61047	0.7
71.61469	1.0
321.20642	59.1
322.21011	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	321.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22726	2.1
59.79354	2.0
71.09096	2.4
73.22167	2.4
75.19513	2.0
79.95749	3.0
96.96001	100.0
147.45828	2.1
179.32690	2.4
203.55962	2.4
211.39301	2.5
215.94585	2.5
220.08437	2.5
269.83170	2.5
321.21014	78.6
322.21359	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	321.243
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
59.01376	2.9
69.73383	3.0
78.95898	3.0
80.96508	1.3
94.70863	0.6
98.19884	1.2
195.13890	1.0
207.17513	1.2
210.54422	0.6
223.16997	13.1
224.17574	2.3
233.15370	1.4
239.16499	1.1
251.16505	13.9
252.17030	2.0
256.16818	3.0
267.15903	0.7
284.16287	3.9
293.24588	0.7
303.23239	8.4
304.23431	1.1
321.24304	100.0
322.24634	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	321.243
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
57.03446	3.3
58.88475	0.4
59.01387	3.0
69.50671	1.0
69.51098	2.3
73.35233	0.4
97.06546	0.9
98.19839	0.5
99.90521	0.4
103.52930	0.4
113.09718	11.6
175.49092	0.4
195.13860	4.0
205.15923	1.8
207.13905	3.3
212.60275	0.5
223.16982	6.0
277.25201	1.2
303.23267	1.4
320.25793	0.6
321.24292	100.0
322.24591	13.7
322.27252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2017
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02964	1.9
59.01372	4.1
70.57662	0.4
79.00774	0.4
81.03421	0.7
95.05033	0.8
109.06587	0.9
113.28590	0.4
128.10796	6.8
129.11084	0.5
130.08719	100.0
131.09093	2.9
151.62473	0.4
164.40100	0.4
165.12729	0.5
177.22067	0.5
182.62566	0.5
209.92075	0.5
273.59573	0.5
283.34979	0.4
322.20172	34.0
323.20657	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	323.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.8
57.03444	13.2
58.03712	1.5
59.01369	17.5
60.65002	1.3
69.03434	3.0
69.88833	5.8
71.01376	85.1
71.95448	1.4
72.01732	1.8
73.02930	4.7
78.95885	9.3
83.01371	1.6
84.02152	2.2
85.02943	86.9
86.03265	1.9
87.00867	75.5
88.01230	2.3
89.02444	4.3
93.03431	7.2
95.01384	5.3
96.96959	3.6
97.02922	2.2
99.00871	1.2
99.20605	1.2
101.02441	3.7
103.03959	1.3
110.86459	1.2
111.00880	1.6
111.01963	1.7
113.02435	100.0
114.02745	2.1
115.00353	4.9
115.04002	2.5
121.58128	1.3
129.01906	1.4
131.03441	4.5
139.04227	1.1
147.06599	1.4
157.01431	4.4
173.04536	6.7
175.02458	5.5
177.02895	1.4
191.05594	5.1
211.00079	5.5
305.08548	2.0
323.09784	81.6
324.10016	6.2
327.84396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03446	11.0
59.01131	1.4
59.01374	16.3
63.89139	1.4
69.03435	5.3
69.98822	1.2
71.01375	80.0
71.26988	1.3
71.27328	2.7
72.01707	1.8
72.99299	1.6
73.02941	3.9
74.01174	1.4
78.95886	3.3
83.01400	2.6
83.98091	1.1
85.02942	84.2
86.02178	1.3
86.03308	1.3
87.00866	74.6
88.01198	1.8
89.02448	3.3
93.03455	4.4
95.01379	4.5
96.95990	2.6
97.02962	2.6
99.00898	1.4
101.02415	4.0
103.04012	2.8
111.00826	1.6
113.02434	100.0
114.02779	3.3
115.00343	5.4
131.03488	4.9
136.93979	2.4
147.06599	1.6
157.01401	5.4
165.07698	1.3
173.04553	3.9
175.02431	4.2
189.91483	1.2
191.05608	2.0
219.03828	1.5
293.27103	1.4
305.08685	1.5
322.95721	2.1
323.09793	79.7
324.10098	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	323.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01373	100.0
60.01712	1.6
71.01373	6.8
71.15314	1.1
73.02899	0.6
78.95919	0.7
83.01400	0.7
85.02944	3.7
87.00878	1.7
89.02427	4.9
99.00892	1.0
101.02424	4.7
101.06081	1.0
113.02428	5.2
118.14587	0.5
119.03504	2.0
119.05074	0.5
143.03519	0.6
161.04543	2.5
165.37286	0.6
179.05647	1.5
181.06500	0.6
219.12520	0.6
236.10382	0.8
236.58083	0.5
259.72903	0.7
263.11386	2.1
323.09766	1.5
323.13577	4.9
324.14490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
58.00598	2.7
59.01372	82.3
66.79687	1.0
69.80146	0.9
70.16892	3.1
71.01377	40.4
72.01681	1.3
72.99303	3.2
79.83587	0.9
83.01350	1.3
85.02943	8.8
87.00834	2.3
89.02436	45.0
95.01362	3.7
99.08120	1.2
101.02433	27.2
106.02065	1.0
113.02435	19.9
119.03482	18.7
126.62758	1.0
131.03444	1.2
143.03461	2.3
149.04472	1.5
161.04494	1.0
161.08167	1.9
179.05586	3.6
230.73500	1.0
323.13422	100.0
324.13654	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	323.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	4.2
57.03459	13.2
59.01377	35.9
61.98821	5.8
65.03957	2.8
69.80910	17.1
71.01385	7.8
71.05009	15.2
73.02930	4.3
80.02652	4.5
81.03441	7.4
83.01393	14.8
83.05014	8.1
85.02936	3.7
93.03460	4.6
95.05003	31.4
97.06572	21.4
102.57737	3.4
109.06541	5.7
111.04508	4.0
113.06071	13.5
121.02930	6.1
123.04487	8.6
123.08109	6.1
125.09734	20.2
135.08118	10.8
137.06087	3.1
141.12852	3.2
145.38274	3.1
149.09723	3.7
153.09174	4.5
161.04512	4.0
163.11281	9.6
167.10718	3.7
185.11781	15.7
189.12796	7.7
191.10736	6.2
203.14432	5.4
209.11792	100.0
210.12233	6.6
221.11810	3.4
237.14915	41.6
238.15233	4.2
243.17433	9.9
247.13300	5.8
249.14894	5.9
265.14438	18.5
287.16434	20.9
305.17566	31.4
306.17465	3.4
323.18643	37.0
324.18851	4.1
347.26520	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	323.186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12440	0.9
57.03438	1.7
59.01367	5.8
60.77901	0.9
68.26430	0.9
68.72571	0.8
69.03469	1.0
74.65259	0.9
80.02661	1.2
81.03451	3.4
83.05007	6.5
95.05011	1.9
97.02904	1.4
97.06569	3.2
99.04536	0.9
107.05026	11.4
109.06591	4.3
110.03719	1.4
121.02908	1.7
123.08122	1.0
125.02424	2.2
125.06052	4.0
125.09718	8.3
133.02867	1.0
135.08171	4.5
147.04506	0.9
153.09190	14.2
161.02472	1.3
163.11287	7.7
165.12839	4.7
176.08363	3.5
178.09956	4.4
181.12305	1.6
185.11789	3.3
191.10767	2.2
194.19543	0.9
197.11812	13.7
207.10266	6.6
209.11798	100.0
210.12128	7.1
225.11270	8.0
236.10480	3.0
243.17546	2.1
245.15460	1.2
253.10786	1.7
254.11560	2.2
261.18536	5.8
263.16345	1.2
269.15485	1.2
277.18066	2.3
279.19617	3.5
287.16476	8.7
305.17551	89.5
306.17874	10.3
311.29807	1.2
323.18610	12.1
324.19043	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59034	4.7
57.03442	24.5
59.01373	74.9
64.33397	5.4
69.28643	26.7
69.29073	23.5
71.01363	8.9
71.05009	33.5
73.11513	6.1
81.03435	9.8
83.01388	14.9
83.05009	24.7
84.02156	9.2
85.02956	8.0
89.02441	5.5
95.05024	52.9
97.06571	16.3
98.19806	11.4
101.02454	6.5
109.06579	10.3
113.06075	51.3
114.06394	5.2
119.14779	4.6
121.02888	5.9
123.04478	5.8
123.11823	5.5
125.09691	17.4
135.08165	15.7
148.45137	5.3
163.11258	11.3
171.10242	13.5
177.12788	6.8
181.12250	6.5
185.11790	22.9
191.10693	10.7
195.14024	5.4
203.14308	9.5
209.11818	100.0
210.12042	7.2
215.99600	5.8
216.06825	4.9
221.11659	5.6
237.14951	48.2
243.17351	6.9
247.13269	9.9
249.14795	5.9
257.08688	4.7
259.16949	5.6
265.14389	14.5
276.98999	4.7
287.16562	33.4
287.59433	5.6
305.17633	48.6
306.17834	9.0
323.18600	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2222
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.75080	0.9
54.14347	0.8
59.01374	15.4
61.98824	1.6
69.33439	9.2
71.01372	1.6
101.02454	1.1
115.80763	1.0
116.42681	0.9
121.02891	1.0
123.04472	1.1
137.09737	1.5
144.87000	1.1
156.04343	1.2
160.62347	0.9
165.09169	3.0
165.12839	1.5
189.12836	1.3
261.22208	4.9
262.15543	1.0
265.14703	1.6
279.23267	1.2
305.21167	100.0
306.21460	10.3
323.18439	1.5
323.22214	21.4
324.22473	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	323.2585
Annotation	(plusmn)11-HEDE
Peak:m/z	Relative Intensity
57.03432	0.9
59.01377	2.9
62.51176	0.5
65.52119	0.4
69.48112	1.9
69.48515	1.1
71.01376	0.6
82.76397	0.4
98.20659	0.7
98.72060	0.4
102.45789	0.4
107.55376	0.4
113.09715	2.2
130.62474	0.4
165.31023	0.4
199.13373	2.5
207.17537	1.2
207.91576	0.4
209.15408	0.5
218.53200	0.4
223.14758	0.8
223.16994	16.1
224.17392	1.5
281.46390	0.5
300.00778	0.4
305.24814	19.3
306.25189	2.0
323.25861	100.0
324.26184	11.9
340.83563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1446
Annotation	Monocrotaline
Peak:m/z	Relative Intensity
57.50660	1.4
58.02693	1.8
58.02969	28.7
59.01374	11.0
59.78388	1.1
61.76689	1.2
70.02926	1.4
71.01382	11.8
71.60973	1.7
73.02915	1.5
75.11157	1.1
83.39545	1.3
85.02931	1.6
85.07244	1.2
88.04030	100.0
88.87645	1.2
89.04347	2.0
92.06573	1.2
115.00359	22.5
117.03481	1.7
130.05075	7.8
132.03023	17.9
137.00984	1.5
145.02921	4.6
149.09712	2.0
152.03517	10.2
178.05031	1.6
193.08702	2.8
194.08154	3.1
198.37730	1.3
203.10722	3.9
208.13385	5.2
209.11783	15.6
235.41963	1.3
238.06923	1.4
263.52209	1.4
278.45950	1.3
280.15515	10.1
324.14462	64.0
325.09113	3.1
325.14755	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	324.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72076	1.3
56.19117	1.2
58.02696	2.2
58.02969	29.6
59.01376	11.8
65.04009	1.2
69.73727	1.3
70.26562	5.2
71.01376	14.2
73.02940	1.4
78.95873	1.3
80.02670	1.7
87.28057	1.1
88.04029	100.0
95.30795	1.1
112.04074	1.1
115.00358	24.9
116.07114	2.0
130.05074	7.0
132.03008	19.5
135.04480	1.9
145.02927	4.9
149.09666	1.9
152.03542	11.0
159.11761	2.8
161.09727	1.4
178.05086	1.6
183.37480	1.2
193.08681	2.2
194.08206	4.2
203.10762	6.2
208.13383	4.8
209.11757	15.7
209.13550	2.2
280.15515	14.8
306.13489	1.7
324.14474	67.5
325.09305	1.9
325.14822	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	324.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.4
58.99577	1.4
59.01375	15.7
60.01682	1.2
61.72124	0.8
65.88248	1.0
67.01872	2.7
70.72825	1.1
70.73161	1.5
71.01374	8.4
71.04994	1.8
71.35159	0.9
73.02943	7.7
83.05006	2.1
85.02943	4.0
86.02471	17.9
87.00854	1.6
87.04482	8.9
89.02428	1.0
90.89066	0.9
93.03442	15.3
97.06552	5.4
98.20180	1.6
99.04498	3.4
101.02431	2.5
101.06091	1.1
103.03990	3.4
106.98061	0.8
107.04996	3.2
109.02894	0.9
109.06578	1.3
111.04520	3.3
113.02428	3.7
113.04301	1.9
115.00346	0.9
115.07609	1.5
119.03639	1.1
119.05005	18.3
124.00736	4.3
128.97676	0.8
133.05057	0.9
133.86299	0.9
137.02435	2.5
142.99796	1.4
143.03481	2.5
145.02921	1.7
145.05020	1.1
151.03969	9.6
155.03465	2.7
159.10222	1.6
161.00963	1.1
161.04459	1.5
163.03984	15.9
163.06088	1.5
173.04517	63.1
173.11798	2.6
178.98331	0.9
181.07121	3.6
189.11281	6.1
191.05563	3.5
195.04408	1.9
201.09499	2.7
203.12869	11.2
219.10570	15.7
237.11617	100.0
238.11949	6.4
264.06345	1.3
265.05817	0.9
293.26013	1.1
324.10657	2.3
324.14774	61.7
325.10492	11.5
325.15082	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	324.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.6
57.54979	0.9
58.99583	3.0
59.01369	8.6
67.01892	1.0
71.01373	4.9
71.05022	1.2
71.56163	1.9
73.02943	3.7
83.05019	3.2
85.02950	3.7
86.02466	20.2
87.04507	9.3
89.02433	1.5
93.03453	5.4
97.06595	7.0
99.04512	5.7
101.02434	2.9
101.06067	2.8
103.04031	1.1
107.05008	1.8
109.02952	2.8
109.06585	1.0
111.04510	1.9
112.98568	0.9
113.02368	2.0
113.03620	0.9
113.04275	4.0
115.07651	2.7
119.05018	8.7
123.94569	0.9
125.02432	1.0
128.98125	0.8
130.08723	3.5
130.99794	0.8
137.02393	1.4
143.03479	1.0
145.05043	2.4
151.03967	3.1
153.09175	1.3
159.10237	1.7
161.00896	1.1
161.04539	1.9
163.04016	6.3
163.06117	2.1
173.04547	23.7
173.11877	1.2
181.07176	5.5
185.11786	0.9
189.11276	4.9
191.05566	2.4
201.09544	3.7
203.12869	16.9
219.10550	12.6
220.10886	0.9
223.08147	1.0
237.11629	100.0
238.12039	6.7
264.06409	4.1
265.05994	2.0
324.14804	70.2
325.11050	2.7
325.15228	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	324.1811
Annotation	Awajanomycin
Peak:m/z	Relative Intensity
58.02980	1.7
59.01369	1.0
69.34322	0.9
69.34731	2.4
71.01382	0.3
81.79903	0.4
88.04033	0.5
95.05016	0.5
97.06568	0.5
114.09231	10.5
114.67927	0.4
116.07162	100.0
117.07533	2.4
119.05037	0.6
128.10794	3.3
130.08725	32.9
131.09081	0.9
135.04517	0.6
145.02925	1.4
150.52222	0.4
158.08205	3.6
172.09766	3.7
178.09885	0.4
179.03392	0.9
267.84308	0.4
324.18103	55.5
325.18411	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	324.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82852	14.0
59.01373	100.0
71.01357	19.9
71.62611	23.2
98.64182	14.7
131.64415	13.9
141.58279	14.1
171.10229	25.0
201.11250	30.2
244.63130	15.3
256.63046	15.2
325.11380	31.7
325.20227	56.6
333.41998	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	325.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
55.32843	1.4
57.03182	2.2
57.03442	35.8
57.26235	1.3
59.01374	73.2
71.01373	40.6
71.60023	1.9
72.99297	4.0
73.02933	4.2
75.00856	1.7
85.02921	9.5
86.02560	1.6
87.00864	3.5
89.02433	16.0
93.03460	4.5
99.00872	19.1
99.04502	40.7
101.02429	36.6
107.05007	3.5
112.98777	4.7
113.02399	8.3
115.00340	11.2
115.04000	2.0
119.03471	5.2
119.04923	2.8
121.02965	1.9
124.00734	2.3
125.02432	10.2
131.03468	7.3
133.05081	4.3
134.04691	7.5
142.99834	40.8
143.03470	13.4
144.02951	2.1
145.01402	4.9
145.02934	4.3
151.04001	8.4
161.00906	31.9
161.04541	23.3
162.01253	2.1
162.04774	1.7
163.06105	32.1
173.04517	11.3
179.07053	1.6
181.07153	100.0
191.05527	2.2
218.59155	2.0
223.08206	16.0
263.11212	3.1
297.62155	1.5
325.07770	2.3
325.11203	27.9
325.14688	3.5
326.11514	2.7
334.29419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
55.32843	1.4
57.03182	2.2
57.03442	35.8
57.26235	1.3
59.01374	73.2
71.01373	40.6
71.60023	1.9
72.99297	4.0
73.02933	4.2
75.00856	1.7
85.02921	9.5
86.02560	1.6
87.00864	3.5
89.02433	16.0
93.03460	4.5
99.00872	19.1
99.04502	40.7
101.02429	36.6
107.05007	3.5
112.98777	4.7
113.02399	8.3
115.00340	11.2
115.04000	2.0
119.03471	5.2
119.04923	2.8
121.02965	1.9
124.00734	2.3
125.02432	10.2
131.03468	7.3
133.05081	4.3
134.04691	7.5
142.99834	40.8
143.03470	13.4
144.02951	2.1
145.01402	4.9
145.02934	4.3
151.04001	8.4
161.00906	31.9
161.04541	23.3
162.01253	2.1
162.04774	1.7
163.06105	32.1
173.04517	11.3
179.07053	1.6
181.07153	100.0
191.05527	2.2
218.59155	2.0
223.08206	16.0
263.11212	3.1
297.62155	1.5
325.07770	2.3
325.11203	27.9
325.14688	3.5
326.11514	2.7
334.29419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12879	1.8
55.01883	1.6
57.03179	2.7
57.03445	36.1
58.00591	1.9
59.01374	100.0
70.41946	5.7
71.01376	53.0
72.99296	8.6
73.02934	7.4
75.00916	2.2
78.95882	2.1
80.38554	1.7
83.01362	3.6
85.02943	18.0
87.00865	6.9
89.02432	41.8
90.02766	1.8
93.03457	5.4
97.02921	1.7
98.19836	1.6
99.00890	16.9
99.04504	43.5
101.02432	64.2
102.02768	2.3
103.04023	4.2
107.05019	2.0
109.02937	3.3
111.01990	4.9
111.04494	2.5
112.98794	8.4
113.02440	11.8
115.00357	8.4
115.03986	3.5
117.01911	2.5
119.03506	14.1
119.04974	8.4
125.02470	9.4
130.08719	7.5
131.03494	5.3
131.09045	5.7
133.05023	1.9
134.04750	6.9
142.99847	38.6
143.03456	10.8
145.05054	2.7
149.04620	2.0
151.03969	4.0
155.03442	2.1
160.99551	2.2
161.00891	38.0
161.04541	27.9
163.03981	6.6
163.06108	29.2
173.04526	29.2
174.04878	1.7
179.05580	7.0
181.07153	88.9
182.07472	6.4
182.85669	1.9
191.05542	3.4
191.92839	1.7
192.01486	3.2
193.07179	8.8
223.08179	15.0
265.06006	2.7
322.10980	2.1
325.05359	3.0
325.11435	40.7
326.11691	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	325.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.4
59.01376	3.7
64.29729	0.4
70.17307	0.8
70.17699	0.7
71.01378	1.7
85.02960	0.5
85.16122	0.3
89.02435	1.6
96.16401	0.4
98.20545	0.4
101.02432	0.9
113.02459	1.0
117.02615	0.8
117.03452	16.2
118.03822	1.0
119.03514	0.8
119.05022	4.7
127.54143	0.5
130.25191	0.4
145.02933	100.0
145.80464	0.4
146.03271	4.0
159.04456	0.6
161.04668	0.5
161.06047	1.4
163.03995	13.5
164.04387	0.5
167.59302	0.4
187.03970	5.0
205.05046	2.0
205.94534	0.4
235.06126	1.2
265.07108	2.7
269.55911	0.4
325.09222	8.9
326.09576	0.6
344.02875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Bilobalide
Peak:m/z	Relative Intensity
59.01369	7.3
67.01875	5.6
68.99838	1.6
69.03443	3.6
71.01371	5.4
79.01884	3.3
80.02667	50.1
81.03456	3.4
83.01372	6.8
85.02927	6.1
87.00834	3.1
90.47681	1.6
90.72990	1.5
93.03483	3.5
95.01365	7.2
95.05012	3.1
96.99299	12.0
97.02905	3.8
98.20746	3.6
99.00865	5.8
105.01245	2.8
105.01922	41.0
106.04208	3.3
107.05014	2.7
109.02922	2.6
111.00875	4.6
115.00347	2.4
116.07151	2.3
117.03474	1.9
119.04990	2.9
121.02930	2.0
121.06606	2.5
123.08153	6.6
129.01935	2.8
131.08664	2.0
134.84290	1.5
135.04440	2.6
139.00385	10.5
142.99818	4.2
145.02940	11.6
149.06068	4.0
149.09698	20.3
151.07614	2.7
153.01909	2.5
161.09674	2.1
163.03996	2.6
163.07573	2.4
165.09200	2.4
173.04527	5.8
177.09256	2.2
179.10591	2.3
181.08678	15.9
193.08659	100.0
194.09004	6.3
207.10196	2.3
219.10207	5.0
221.08165	13.1
229.71902	1.6
235.09671	3.7
237.07806	2.2
237.11237	4.5
249.07619	3.0
263.09131	5.1
277.07138	4.3
281.10245	6.1
325.09232	100.0
326.09500	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	325.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38198	0.8
59.01372	8.7
70.08278	4.2
71.01364	4.1
78.96272	1.0
85.02953	2.7
89.02435	2.9
93.03425	3.3
98.04517	0.8
101.02409	2.5
111.98005	0.9
113.02444	1.4
117.03447	19.7
119.05011	100.0
120.05334	4.6
131.05000	1.0
133.06645	1.0
145.02931	93.3
146.03293	4.8
159.04500	4.2
161.06078	3.0
163.03987	88.0
164.04349	3.9
187.03966	19.2
191.05586	15.6
205.05042	3.9
265.07257	1.4
285.71088	0.9
297.76041	1.1
325.09207	8.3
325.13791	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	325.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	47.3
59.01373	82.3
71.01378	30.5
71.60648	3.6
72.99310	3.8
73.02943	7.8
79.44521	2.1
82.02977	2.2
83.01416	2.7
85.02948	14.8
87.00881	8.5
89.02444	21.9
94.15533	2.1
96.96987	2.7
98.02467	3.1
99.00903	4.3
99.04508	46.2
100.08031	2.0
101.02434	48.9
105.35624	2.2
110.02488	2.7
112.98807	2.3
113.02451	9.8
117.03473	3.2
119.03491	6.3
119.05045	5.3
119.31222	2.7
121.02947	2.7
125.02404	12.9
127.93439	2.0
131.03455	4.9
133.01451	4.8
133.02924	4.3
133.05049	2.8
134.03737	16.8
135.04486	2.4
142.99811	4.0
143.03479	8.2
144.06615	2.2
146.72722	1.9
149.02478	2.7
149.06140	3.6
151.03989	2.3
154.70590	2.0
161.00894	3.9
161.02356	3.0
161.04530	29.0
163.03993	9.3
163.06107	53.5
173.04578	4.8
175.03955	2.5
177.01840	11.0
178.02701	4.8
179.03479	3.2
181.07158	100.0
191.03450	10.6
191.05252	2.2
193.03444	4.3
193.04994	19.2
196.70816	2.0
223.08180	17.9
235.02451	2.3
240.23270	2.2
325.05432	11.9
325.11169	46.2
326.11981	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	325.1136
Annotation	H disaccharide
Peak:m/z	Relative Intensity
57.03444	43.0
59.01373	74.4
63.28748	1.5
63.33836	1.4
65.54327	1.3
69.61954	4.9
69.62380	4.2
71.01380	23.1
71.79107	1.5
72.99316	2.0
73.02935	5.8
75.00874	1.7
83.01383	2.2
85.02946	12.9
85.42097	1.4
89.02436	18.5
99.04504	51.4
101.02434	49.1
113.02440	8.1
115.20935	1.3
119.03477	5.7
125.02427	11.1
131.03479	5.7
143.03452	3.2
151.83176	1.5
161.04527	27.5
163.06104	43.8
169.37712	1.5
181.07155	100.0
182.07507	3.4
223.08224	19.5
263.11172	2.9
280.00543	1.5
325.11322	48.5
325.15143	3.0
326.11700	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	325.1135
Annotation	H disaccharide
Peak:m/z	Relative Intensity
57.03443	38.5
59.01091	3.8
59.01373	63.8
64.84314	1.7
67.67532	1.6
71.01376	44.7
71.60755	3.0
72.99303	3.0
73.02939	4.8
75.00874	1.9
85.02939	14.3
87.00874	4.2
88.21976	1.8
89.02427	18.4
90.48631	1.7
93.03452	9.5
99.00880	18.2
99.04510	47.3
101.02435	35.5
101.72810	1.9
107.05008	7.7
108.02187	2.1
112.98784	5.3
113.02456	4.9
115.00330	14.8
119.03488	6.8
119.05021	5.0
125.02427	10.8
127.08506	1.9
131.03487	5.5
133.05061	8.8
134.04688	12.4
142.99847	38.8
143.03467	16.8
144.03021	3.8
145.01379	3.6
145.02931	9.1
151.02783	3.3
151.03978	26.4
155.03522	2.6
161.00905	25.0
161.04503	20.7
163.04018	4.0
163.06100	34.8
173.04523	35.4
174.04953	1.7
174.20503	2.2
181.07158	100.0
182.07397	3.9
191.05594	7.7
193.03644	2.3
219.08432	2.1
223.08192	19.2
238.12029	2.3
292.89566	1.9
325.11362	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01718	1.2
61.06885	0.5
69.28040	0.6
69.74024	3.2
71.01376	3.3
73.02935	1.4
77.59425	0.7
85.02956	1.8
89.02456	0.6
99.04586	0.6
101.02433	4.5
113.02472	1.8
116.04993	0.5
119.05016	0.8
134.03793	1.1
134.04732	5.0
157.51898	0.5
161.04501	3.1
163.03960	1.2
163.06117	1.2
163.41623	0.5
177.01875	0.8
181.04774	0.5
181.07178	0.9
183.84702	0.5
191.03523	1.0
193.05049	1.1
210.74767	0.6
220.06012	0.6
237.11871	0.6
265.12869	8.7
266.13092	0.8
287.55737	0.7
317.75015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37904	0.3
70.11111	1.3
75.92052	0.3
79.95683	1.8
80.96527	0.4
82.41589	0.3
89.37821	0.3
103.93797	0.3
119.05009	1.3
133.76222	0.3
170.00371	1.5
170.39169	0.4
181.31503	0.4
183.01176	53.5
184.01773	4.2
197.02737	3.8
198.03302	0.5
201.99405	0.4
211.04274	0.6
216.00932	1.5
225.05812	1.0
236.13969	0.3
239.07405	1.2
253.09044	0.5
278.06067	0.3
284.39651	0.3
286.48312	0.3
322.58060	0.4
325.18362	100.0
326.18707	11.8
337.99881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54416	0.4
54.23812	0.4
57.03439	1.0
59.01373	8.9
69.03448	0.5
70.73421	1.1
71.01372	1.4
73.02899	0.8
81.03435	1.2
83.05018	2.6
84.08633	0.4
93.03469	0.5
95.05016	1.0
97.06562	1.3
98.19946	0.5
106.04216	0.9
107.05003	0.6
109.06557	1.3
111.08151	0.9
117.03427	0.7
123.08135	1.5
125.09713	1.5
133.06619	0.8
134.04733	1.0
135.08138	5.0
137.09685	1.9
139.11264	1.6
141.09160	0.9
145.02928	2.7
151.11176	0.7
153.09198	5.5
155.10750	0.5
157.08623	0.6
171.10252	10.3
172.10558	0.5
183.10162	1.5
185.11861	1.5
195.13843	1.0
197.11873	0.6
201.11240	2.6
209.11772	0.7
209.15239	0.4
225.14949	0.5
235.17044	0.8
243.17545	0.5
245.19031	5.2
246.19405	0.8
261.18344	0.8
263.20129	12.8
264.20468	1.0
271.17099	3.1
281.21204	1.6
287.50674	0.5
289.18088	6.8
290.18286	0.8
307.19101	11.2
308.19476	0.9
325.20142	100.0
326.16782	1.0
326.20493	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	325.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.1
59.01372	2.3
60.00601	1.2
69.68911	7.3
69.69312	2.1
71.01380	3.5
71.05014	3.2
72.02144	2.5
73.02955	1.6
83.05006	2.7
84.02143	2.9
95.05005	2.0
97.06582	2.8
99.04471	1.5
99.08138	3.7
109.06533	3.0
115.07623	3.3
121.06515	1.3
123.04489	1.4
125.09734	4.1
127.07651	15.0
127.09085	1.3
130.08678	2.3
135.08098	2.3
137.09637	1.4
139.07632	4.7
153.09186	14.4
155.10724	3.3
161.30678	1.3
163.11160	3.2
171.10266	14.2
178.09970	3.3
181.12350	1.4
185.11836	15.9
186.12074	1.4
191.10654	1.7
191.14317	2.2
197.11801	14.9
209.11798	69.0
210.12160	4.1
232.47282	1.3
237.14931	10.3
238.12041	7.0
245.19116	3.6
256.13052	3.6
289.18057	16.9
290.18582	1.7
307.19110	100.0
308.19345	12.6
325.16431	2.8
325.20129	40.4
326.20468	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	325.2016
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.58009	1.0
54.66251	1.0
59.01359	3.4
71.01373	6.1
71.04993	1.1
71.52621	1.4
72.02127	1.6
73.02937	1.5
81.86830	1.1
83.05010	4.8
84.02149	3.2
85.02929	1.6
95.05021	1.8
97.06564	1.7
99.08123	5.2
109.06570	2.0
111.08167	3.0
115.07654	2.3
117.03444	1.2
123.08131	1.8
125.09698	3.4
127.07634	17.9
135.08121	2.2
137.09705	1.2
139.07632	5.2
145.02931	3.5
149.98441	1.1
155.10783	4.8
163.11263	4.4
165.12689	2.1
171.10237	5.9
178.09924	2.6
185.11809	22.3
196.43076	1.1
197.11803	25.7
198.12077	1.9
199.13365	4.8
201.11240	4.0
207.10326	1.5
209.11795	76.6
210.12144	4.7
217.15611	1.1
227.12837	19.4
228.13145	1.3
237.11214	1.3
238.12079	10.3
245.19110	2.9
248.96162	1.1
253.18076	1.7
256.13123	3.8
279.19714	1.2
289.17993	6.1
307.19092	100.0
308.19394	12.6
325.14438	1.9
325.20166	48.9
326.20532	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	325.2168
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
52.21579	0.5
55.69330	0.5
59.01371	2.6
61.98819	0.6
70.57365	1.4
77.87801	0.5
79.95742	1.2
101.30109	0.5
108.15380	0.5
109.84260	0.5
119.05006	1.1
133.53186	0.5
149.09702	71.9
150.10030	4.3
163.11266	75.6
164.11586	4.4
170.00296	0.8
174.63354	0.6
183.01180	44.7
184.01884	5.9
197.02800	2.3
198.03568	0.6
216.00920	2.6
266.68552	0.6
325.18353	100.0
325.21753	66.5
326.18661	10.8
326.22107	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	326.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27974	0.3
59.01371	4.9
59.36234	0.3
70.64537	1.0
72.16645	0.3
96.21742	0.4
97.72485	0.3
107.03602	1.7
119.04999	0.6
120.05333	0.9
134.04709	100.0
135.05180	2.5
145.05060	1.4
158.91545	0.3
163.04024	0.4
164.04295	0.6
173.04451	0.5
174.04866	0.6
220.99139	0.4
266.08905	3.1
266.49634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0867
Annotation	Milletenone
Peak:m/z	Relative Intensity
54.96974	0.3
59.01379	0.4
60.60098	0.3
62.44810	0.3
65.00318	0.3
65.03969	0.3
67.01881	34.6
68.02209	0.5
69.03442	0.3
70.05886	0.9
70.06278	0.7
77.03963	0.4
82.72046	0.3
85.09582	0.3
89.03968	1.5
91.05517	10.0
92.99817	0.3
93.03454	1.0
94.58929	0.3
95.01387	1.1
98.19935	0.3
101.03968	0.4
107.01398	0.7
107.05038	0.6
111.00873	2.5
117.03444	6.2
119.05010	31.0
120.05347	1.9
121.02925	0.7
134.03734	0.5
135.04504	3.4
137.02478	0.7
137.06049	1.1
145.02951	3.0
148.01695	0.4
155.10770	1.3
161.02423	3.8
163.03984	73.1
164.04317	4.6
171.10231	1.7
189.01897	11.5
190.02180	0.7
197.11790	1.0
200.76215	0.3
207.02943	23.4
208.03355	1.2
209.11839	1.9
239.16405	0.6
283.09454	0.3
291.19525	0.7
309.20651	1.1
327.08676	100.0
327.21576	5.0
328.09000	10.6
328.22287	0.4
339.71274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0869
Annotation	3-Hydroxy-4',7,8-trimethoxyflavone
Peak:m/z	Relative Intensity
50.17719	1.0
51.54642	0.9
52.75727	0.9
59.01372	7.1
68.99821	1.0
71.01370	1.5
71.57805	1.9
73.31852	0.9
76.71552	0.9
81.57450	0.9
85.02957	1.1
93.02918	1.7
93.03452	22.9
94.03844	1.2
96.99276	4.7
101.02396	1.4
109.02911	3.4
117.03482	2.2
119.05012	75.3
120.05354	2.4
121.02925	2.6
123.04545	2.2
124.01464	1.1
125.02481	1.1
130.04251	1.4
131.05031	6.7
131.05818	1.4
132.05804	1.5
133.02953	13.3
135.04465	4.1
143.05011	15.4
145.02931	3.2
145.06606	2.3
147.04503	1.4
149.02417	2.5
159.04523	1.3
163.03990	55.2
164.04338	2.3
165.01958	1.2
165.05536	1.9
167.37285	1.0
171.04495	3.0
175.04019	1.8
179.03456	2.9
211.07513	6.5
219.07965	1.4
221.09627	1.8
222.06821	1.5
223.07634	1.4
235.07564	4.0
237.09106	7.7
239.10660	2.1
240.10442	1.7
253.05179	1.0
265.08661	16.4
266.08899	1.6
279.06406	1.7
283.09692	18.5
284.03278	4.8
284.10257	1.7
297.07733	1.3
298.04773	1.4
299.05597	7.8
309.07684	4.0
312.09906	3.2
327.04971	33.7
327.08673	100.0
327.11951	3.9
328.05365	2.0
328.09006	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	327.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.1
59.01375	27.9
69.70467	8.5
71.01364	13.9
71.05046	2.3
73.02940	30.1
74.52741	1.6
75.00864	3.5
79.19333	1.9
83.01374	2.4
83.05026	5.0
85.02908	2.5
86.06194	1.8
87.00882	2.9
89.02437	8.4
96.07592	1.7
99.00881	5.7
99.04520	4.4
101.02437	20.4
101.06100	7.6
117.01932	75.1
119.03504	17.9
127.03986	11.8
127.36963	1.8
129.01967	2.3
135.03026	2.0
143.35512	1.6
145.05055	100.0
145.06079	3.8
146.05382	3.6
147.06615	3.5
165.04010	3.8
167.03452	3.6
171.75179	1.7
173.04504	3.3
175.05171	2.1
181.07133	2.5
181.64082	1.7
186.67044	1.8
191.05588	2.6
327.09341	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	327.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59181	1.8
53.34934	2.0
58.64935	1.8
59.01376	27.0
67.68939	1.8
69.40034	13.6
69.40442	4.1
71.01382	17.3
73.02937	47.0
75.00856	5.3
82.52808	1.9
83.01337	2.3
85.02933	4.3
87.00865	4.5
89.02449	11.9
93.03504	2.0
99.00842	8.0
101.02440	14.3
113.02338	2.4
115.00322	2.0
117.01925	100.0
118.02287	2.4
119.03490	13.0
123.04494	3.5
127.03977	2.8
129.01939	3.3
129.05620	2.1
134.04620	4.2
135.05141	3.4
143.03468	2.4
145.05029	16.5
145.06152	14.4
146.04591	2.3
147.02917	2.3
147.06619	5.7
163.06133	2.5
165.04030	3.4
167.03461	6.9
179.05452	2.0
181.07106	3.6
191.05586	9.2
193.49419	2.0
209.06529	2.1
327.09442	11.3
327.12729	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50009	2.0
53.65699	1.8
59.01376	7.3
69.03445	2.6
70.94997	2.6
70.95310	2.9
71.01368	27.1
72.99291	2.4
83.01392	20.3
87.00872	17.5
89.02460	2.1
99.00866	4.7
101.02436	7.2
105.01918	16.3
115.00371	19.3
125.02435	3.0
127.00385	7.9
137.09778	2.4
138.33644	2.0
145.01416	100.0
163.07620	5.8
181.08688	88.1
182.09035	7.5
211.79337	2.0
221.33305	2.0
235.09747	3.0
239.09250	4.8
249.58023	2.3
327.10809	39.1
328.11050	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19451	0.7
54.05833	0.9
55.33556	0.8
55.73528	0.7
59.01371	23.5
69.73701	5.3
71.01372	11.9
72.99284	1.5
73.02923	1.2
75.00858	3.6
77.82749	1.0
85.02934	2.9
87.00860	5.9
89.02442	12.2
93.03441	2.1
99.00871	1.1
101.02430	6.8
105.01934	5.3
109.02951	1.7
111.98010	0.9
113.02440	3.4
119.03503	4.9
119.04989	8.6
120.05380	1.1
121.02915	1.0
123.04469	0.8
124.77876	0.8
129.03473	4.6
131.03459	1.1
134.03720	1.4
135.04509	10.1
137.02406	1.0
142.50574	0.8
145.02972	0.9
147.04503	100.0
148.04839	4.0
149.02310	1.0
150.03174	0.8
161.02467	1.5
163.03998	3.6
164.04430	1.5
165.04037	30.6
165.05540	57.9
166.05867	2.3
175.03806	1.2
179.03491	5.5
179.05545	1.1
180.03745	1.0
251.96524	0.8
312.10150	1.1
312.71030	0.8
327.10867	5.1
328.10529	1.3
348.25668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.0
61.12381	0.6
70.03844	2.7
70.70949	0.7
71.01373	7.2
72.04746	0.6
73.02950	1.6
83.01369	0.7
85.02926	2.1
87.00900	0.6
89.02428	5.1
89.19294	0.6
98.19940	1.0
101.02429	7.9
113.02438	1.3
117.03439	9.6
119.05012	54.3
120.05336	1.8
126.05074	0.6
131.03452	1.0
145.02934	48.8
146.03256	3.5
163.03987	100.0
163.06187	2.7
164.04308	4.8
181.07144	10.5
247.40947	0.6
252.91965	0.6
257.99301	0.6
327.10846	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84561	0.3
59.83554	0.4
64.58683	0.3
64.96008	0.3
65.00206	0.5
65.03859	0.3
66.54238	0.3
67.01774	2.4
68.99698	6.6
69.00123	1.2
71.01289	0.6
71.61997	0.7
73.02843	0.8
75.00747	3.0
83.01251	1.2
97.02814	1.5
99.00745	19.0
99.01454	1.5
100.01108	0.5
101.02342	0.9
108.02033	1.5
111.00774	0.8
119.08536	0.9
121.06446	1.5
127.00358	13.7
129.01839	0.6
141.01823	0.5
146.03374	0.3
147.04482	2.3
148.05231	0.5
163.07623	9.8
164.07959	0.8
171.10158	0.4
181.08557	0.5
191.03424	0.9
207.10213	3.4
211.13315	1.0
239.09210	24.7
240.09601	2.1
267.08688	100.0
268.09027	8.5
295.08408	0.5
327.10910	11.8
327.14276	0.7
327.21655	2.4
328.11316	1.3
328.22125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.108
Annotation	Majucin
Peak:m/z	Relative Intensity
50.29279	1.6
51.93918	1.5
56.13163	1.6
57.03448	1.8
59.01373	9.8
67.01882	20.6
68.99826	2.7
69.03455	2.2
71.01371	13.0
71.05015	1.4
71.27329	1.7
71.61897	3.0
79.01892	3.2
80.02673	23.5
81.03439	2.2
83.01382	14.6
85.02951	5.9
87.00883	6.9
92.65348	1.6
93.03423	4.0
95.01373	7.5
95.04998	7.8
96.99310	7.2
97.02918	3.2
99.00884	9.6
105.01917	20.3
106.02364	1.5
108.02176	3.2
111.00877	4.4
115.00365	8.0
121.02961	3.1
123.08125	2.3
125.09731	1.8
127.00363	9.8
129.01915	2.1
135.11845	2.4
139.00366	5.3
139.07666	2.3
142.99834	38.1
147.04514	1.7
151.11264	28.9
153.01924	1.8
153.09218	2.6
165.09146	2.5
165.12788	1.8
167.10782	3.1
168.67519	1.8
169.08705	4.4
173.04520	7.9
177.12778	3.2
179.10783	4.7
180.11360	1.7
181.12286	3.2
183.10245	46.0
195.10245	66.6
196.10573	6.0
203.10748	4.5
209.11832	2.5
211.09781	2.5
211.13382	2.7
213.11301	3.1
221.11812	5.7
223.09703	13.2
225.11325	1.9
235.09738	8.6
237.11433	3.7
239.12903	5.4
251.09264	2.1
253.10800	4.1
265.10715	4.2
265.18188	4.3
279.08710	4.7
283.11841	9.3
283.19022	3.5
297.09988	2.0
309.16946	4.1
309.79608	1.6
327.10831	100.0
327.17883	5.0
327.21527	22.4
328.11041	8.0
328.22147	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	327.129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.0
59.01366	9.4
70.15514	3.8
70.15866	2.4
71.01400	6.1
71.05023	1.9
73.02927	6.2
75.00863	2.6
78.45595	1.1
83.05022	4.0
85.02932	1.8
89.02428	4.0
99.04517	4.3
101.02432	5.4
101.06073	7.5
109.02949	1.3
117.01932	8.5
119.03504	3.2
127.04018	11.5
135.04486	1.1
138.82466	1.1
145.05045	100.0
146.05446	2.9
147.06622	1.2
149.80821	1.2
152.52605	1.2
158.38899	1.3
165.04027	4.5
174.04771	1.3
181.07124	1.9
185.87239	1.0
327.09448	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	327.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	100.0
61.98819	19.6
64.24603	15.4
124.71304	14.8
125.39006	17.9
164.68832	17.5
170.03961	14.3
171.10254	17.3
229.14066	15.0
285.24283	42.9
291.19586	82.3
327.21753	29.9
327.25189	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
58.78011	0.4
59.01363	0.7
69.03448	1.1
70.93008	0.5
70.93345	0.9
71.01350	0.9
73.02922	0.4
74.00534	0.4
83.05019	1.1
84.02129	0.6
85.02937	5.7
95.05021	0.9
97.02924	0.6
97.06573	5.4
110.03702	0.6
125.09712	1.5
127.11279	2.3
127.12153	0.4
137.09677	1.2
155.14343	1.0
156.60638	0.4
163.11298	0.6
165.12790	1.6
167.07318	0.5
167.14339	1.0
171.10242	12.9
172.10608	0.8
175.11250	0.4
177.12808	1.3
179.10733	1.1
183.13840	4.9
185.11768	1.5
193.12299	0.8
197.11740	0.9
201.11188	0.6
203.10736	0.7
209.11815	2.3
211.13356	22.9
212.13715	1.4
221.11786	3.7
229.14384	14.1
230.14763	0.9
239.12836	1.8
247.20645	0.8
266.05417	0.4
291.19617	4.1
309.20532	1.1
327.21695	100.0
327.89374	0.4
328.22055	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	327.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19953	0.6
57.03436	1.6
59.01351	2.7
66.57738	0.6
69.03432	1.1
71.01382	1.0
71.05020	1.4
73.02957	0.7
83.05016	1.5
84.22984	0.7
85.02941	2.6
85.06576	2.3
95.05016	0.9
97.02944	1.1
97.06578	2.3
97.26057	0.8
109.06583	1.0
111.08128	1.0
115.07634	2.7
121.02966	0.7
123.08181	0.8
125.09699	1.9
127.11248	1.8
135.04515	1.4
137.09662	1.1
146.95000	0.7
153.09126	0.7
155.10753	5.5
171.10248	14.8
181.12347	1.4
183.10207	1.8
183.13866	3.5
193.12219	2.2
197.11687	1.0
199.13393	5.5
201.11313	1.9
203.10739	1.2
211.13361	4.2
247.09735	1.6
265.18176	0.8
291.19391	1.6
309.20657	5.7
310.20850	0.9
327.21704	100.0
328.21991	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	327.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.0
58.00575	0.7
59.01364	4.0
63.83136	0.6
69.03468	0.6
69.68932	3.7
69.85616	0.7
71.01370	1.8
97.06557	1.5
109.06563	0.9
111.08140	10.6
135.56818	0.8
143.27521	0.6
153.12842	0.8
169.12323	4.3
171.10126	0.7
177.12886	0.7
181.12346	1.3
183.14044	0.9
185.11774	4.8
197.11798	34.9
198.12125	2.0
199.13313	4.7
209.11800	2.4
209.15446	1.1
211.13400	2.1
220.08432	0.6
221.11844	2.2
233.15517	0.9
239.12819	2.1
251.16467	1.9
263.20236	0.8
291.19690	3.4
309.20602	4.5
310.21072	1.1
327.21701	100.0
328.22031	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	327.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.6
59.01358	0.7
69.03442	0.6
70.18086	0.5
70.18423	1.6
71.05003	0.8
77.20386	0.3
83.05005	0.6
83.64845	0.4
88.89738	0.3
97.06589	0.5
99.08151	0.5
111.08164	0.5
125.08913	0.4
125.09708	2.1
137.09705	0.9
139.11246	1.8
153.12831	0.7
155.10759	1.5
171.10249	2.7
172.10600	0.4
177.16415	0.9
193.15977	0.5
201.11238	0.5
211.13293	0.7
229.14418	1.0
235.43333	0.4
237.22244	0.5
247.20630	17.3
248.20911	1.5
263.20184	0.6
265.21695	10.1
266.21918	1.3
273.18542	1.4
283.22833	0.8
291.19617	5.3
309.20679	17.1
310.20993	1.6
327.21710	100.0
328.22058	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	327.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.7
58.00582	1.0
59.01358	1.7
66.18436	0.7
73.02951	0.8
107.08694	2.8
119.05023	0.6
119.08626	0.8
125.09708	5.7
127.11281	8.9
129.82565	0.6
132.87178	0.5
137.09679	1.6
139.11201	1.3
143.65172	0.5
147.04445	1.1
155.10767	4.0
157.12285	0.7
163.03975	0.8
165.09172	3.4
171.10268	10.8
171.20183	0.5
178.08694	1.2
183.10234	1.6
185.11536	0.7
199.09732	3.0
201.11290	76.6
202.11707	4.7
203.10709	0.9
225.10181	0.7
229.19592	1.1
261.18478	0.9
273.18509	2.0
291.19540	2.0
297.20721	2.5
303.59647	0.6
309.20517	3.5
327.21710	100.0
328.18542	0.5
328.22086	11.0
346.56177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78765	0.7
57.03431	2.1
67.08250	0.7
69.03456	1.2
69.40153	3.5
69.40583	2.5
71.01413	0.8
72.84967	0.6
80.92945	0.6
83.05008	0.8
85.02946	7.1
90.14938	0.6
95.05048	0.9
97.06555	4.6
125.09750	1.1
127.11269	1.4
137.09682	2.0
155.10736	1.6
165.12825	0.9
167.14493	0.9
171.10254	13.1
177.12784	1.4
183.13896	3.9
185.11693	1.1
193.12328	1.2
209.11815	1.6
211.11407	1.4
211.13361	23.6
212.13651	1.6
221.11778	2.9
229.14423	14.0
239.12856	2.1
251.61964	0.8
291.19586	4.1
309.20526	1.8
325.00052	0.8
327.21713	100.0
328.22055	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	327.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46412	0.6
54.88473	0.7
58.00576	1.8
59.01374	5.2
65.26250	0.7
69.03445	2.2
69.52364	5.2
71.01376	1.6
97.06551	1.8
111.08131	8.1
119.08619	1.3
125.09691	1.1
127.07628	1.4
127.11224	0.8
137.09721	6.3
142.08087	0.7
160.67348	0.7
169.12296	4.6
171.10231	25.2
172.10524	1.6
181.12306	1.6
183.13901	1.1
197.11797	41.2
198.05000	0.7
198.12129	2.3
199.13396	5.5
201.11279	6.0
203.10843	0.8
209.11795	0.8
210.22360	0.7
211.13333	2.7
213.11374	0.9
227.12898	1.0
229.14384	0.8
251.16428	0.8
260.70984	0.8
262.51877	0.7
263.20218	0.8
291.19647	1.7
309.20590	5.1
327.21701	100.0
328.22070	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	327.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.9
59.01371	2.7
66.55579	0.5
70.89952	1.4
97.06570	2.1
101.38418	0.6
109.06593	0.6
111.08147	9.6
121.31718	0.6
127.07607	1.3
169.12340	5.7
181.12308	2.0
197.11807	43.7
198.12160	2.3
199.13356	7.1
211.13348	5.6
221.11780	1.2
229.14339	1.5
239.16486	0.8
291.19653	3.2
309.20642	2.3
327.21713	100.0
328.22043	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	327.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
58.00577	1.2
59.01371	0.5
70.93536	0.9
97.06591	2.0
98.19894	0.3
111.08159	0.4
115.07629	0.8
133.58485	0.3
151.11255	0.3
153.02032	0.3
153.12840	1.5
155.14409	4.2
165.12849	0.5
167.14359	0.7
171.10320	0.7
181.12334	0.7
183.13887	5.1
185.15334	0.4
185.41180	0.3
193.12271	0.5
197.11818	0.9
198.56084	0.3
199.13368	6.8
200.13721	0.5
211.13380	4.7
215.12871	0.3
227.12833	4.1
228.13243	0.3
229.14406	100.0
230.14731	6.7
254.09590	0.3
269.35223	0.4
291.19601	2.0
292.20251	0.4
309.20670	9.9
310.20908	0.7
327.21738	6.9
328.22003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29395	0.5
58.00587	1.5
59.01364	4.1
68.83883	0.5
69.29941	5.2
71.09201	0.5
72.27171	0.7
83.05087	0.6
85.50723	0.5
97.06577	1.8
109.06587	0.9
111.08145	8.6
123.08199	0.6
127.07600	1.2
129.09138	0.7
133.02983	0.6
135.04465	1.5
153.12837	0.8
161.02463	1.2
163.04021	1.0
167.14293	0.6
169.12299	5.7
171.10165	0.6
181.12305	2.1
185.11758	1.9
197.11794	39.6
198.12163	3.2
199.13379	6.1
209.11772	2.4
211.13362	5.3
227.12868	0.8
266.05902	0.6
291.19559	2.0
309.20685	3.1
327.21698	100.0
328.22070	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	327.2537
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.74927	1.2
59.01368	3.7
60.94359	1.3
69.34003	10.8
81.01713	1.1
88.17576	1.3
91.40423	1.2
104.22003	1.2
104.61259	1.4
185.00749	1.8
265.25323	63.2
266.25677	7.8
309.24329	22.9
310.24600	2.2
327.18301	5.0
327.22073	3.8
327.25345	100.0
328.25687	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	327.29
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
52.14095	2.1
59.01371	100.0
61.98852	3.6
66.82291	2.6
69.69534	10.3
76.18037	2.4
93.56845	2.2
152.92960	2.6
170.94101	2.5
185.00662	4.5
213.60217	2.4
232.52112	2.5
267.91357	2.7
293.12161	2.7
298.53796	2.5
306.05740	2.6
309.87268	2.3
327.18353	8.2
327.28992	77.4
328.29239	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	329.021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90424	0.6
52.42765	0.6
59.01369	43.2
61.98820	1.0
67.10224	0.5
71.60175	1.0
84.95123	0.6
101.22082	0.7
115.02483	2.2
117.00404	5.0
126.98863	1.0
137.93094	0.6
143.01987	3.2
144.99928	0.9
148.22859	0.6
159.01468	66.4
160.01549	4.4
165.23676	0.6
167.01865	0.6
168.99915	3.8
170.97807	5.4
175.83606	0.6
187.00951	100.0
188.00462	17.0
201.02513	14.1
202.02579	1.4
210.95032	0.6
228.50821	0.8
274.99408	2.1
287.00824	0.9
311.00955	1.2
328.96552	0.9
329.02182	3.5
330.02060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01760	0.9
59.01096	1.1
59.01375	14.0
61.98824	63.3
69.45107	2.0
69.45518	6.4
71.01385	5.5
72.99284	3.1
77.51360	1.0
78.95924	1.2
85.02927	2.1
87.00858	2.1
87.81760	0.9
89.02411	4.9
91.48683	1.1
93.03434	5.5
95.01370	1.1
96.96938	1.4
101.02419	3.0
108.02144	2.8
109.02934	36.1
110.03262	1.1
113.02444	2.2
115.00367	1.6
119.03436	1.8
120.38577	1.1
121.02943	10.1
122.03722	2.4
123.04512	16.8
129.01971	1.3
134.04703	1.6
135.04451	1.5
135.47713	1.0
137.02419	3.7
139.04021	6.3
147.06471	1.5
149.02415	9.7
150.03159	1.3
150.05484	1.3
151.04004	8.3
152.01146	1.9
155.80266	1.1
161.05823	1.3
164.01077	2.8
165.01897	4.7
166.02606	3.5
167.03468	33.3
168.03842	1.3
169.05063	1.8
181.07082	1.4
205.06226	0.9
209.04526	1.2
258.66449	1.0
329.08716	100.0
330.09024	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	329.087
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
53.82888	0.9
55.75982	0.9
59.01372	37.5
67.01867	1.0
71.01372	19.8
72.99308	4.9
73.02951	1.0
75.00854	1.8
81.03454	1.5
83.01375	1.8
85.02501	0.9
85.02924	6.0
87.00867	4.2
89.02431	17.9
93.03447	3.7
95.01344	1.9
95.05001	1.9
99.00901	1.4
101.02422	11.2
103.00372	0.9
105.01920	3.7
109.02958	5.5
109.03573	1.0
113.02447	8.5
119.03497	8.1
121.02940	36.0
122.03199	1.0
123.03706	1.7
123.04508	18.8
131.03519	1.2
133.01405	1.0
135.02986	1.7
135.04520	1.4
137.02441	4.2
139.03966	1.9
149.02423	100.0
150.03175	10.3
151.04004	3.6
153.05565	1.3
161.04588	1.4
166.02733	2.2
167.03450	7.0
169.05002	1.8
175.07529	0.9
177.04031	1.4
179.03415	1.3
179.05658	1.2
239.05734	2.0
255.62819	1.0
285.09546	1.8
291.86945	1.0
329.04855	1.7
329.08734	35.8
330.09308	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	329.0872
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
58.00545	0.4
59.01370	6.2
61.98822	1.0
67.84576	0.4
69.94285	2.0
71.01368	2.6
72.99306	0.4
73.02937	0.6
81.29866	0.4
81.89777	0.4
85.02927	1.0
87.00845	1.1
89.02430	1.8
93.03431	3.2
98.19864	0.8
99.00842	0.4
101.02433	1.3
108.02159	1.6
109.02937	38.9
110.03290	0.7
113.02453	0.5
118.22309	0.5
121.02939	6.0
122.03732	0.9
123.00891	0.5
123.04510	11.9
133.02844	0.4
135.04469	1.0
137.02415	1.7
139.04008	6.1
140.04356	0.5
149.02419	6.6
150.03133	0.7
151.03998	6.8
152.01180	0.5
164.01117	2.2
165.01883	4.5
166.02695	5.2
167.03467	30.3
168.03795	2.0
168.11049	0.4
174.76176	0.4
179.03426	0.7
191.03458	0.5
209.04517	0.6
219.17873	0.5
225.97395	0.4
299.17487	0.4
329.08719	100.0
330.09070	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	329.0874
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01860	0.7
55.13044	0.4
57.03424	0.8
57.81421	0.4
59.01374	6.4
61.98830	0.6
62.92834	0.4
69.03402	0.4
69.68150	0.4
71.01375	15.5
71.60662	0.6
72.99300	1.2
73.02937	3.9
75.54102	0.6
79.95742	1.0
83.01369	1.2
84.89550	0.4
85.02943	5.7
87.00861	3.3
89.02432	1.3
93.03419	0.6
95.01382	1.5
96.96027	0.8
97.02908	0.5
99.00861	2.0
99.04506	1.2
101.02438	7.1
108.02158	4.0
108.03294	0.5
109.02972	3.0
113.02435	6.3
115.00356	1.1
115.90437	0.4
117.14219	0.5
118.95498	0.5
119.03461	0.7
119.04948	0.6
121.02944	4.1
122.03725	100.0
122.06112	1.6
123.04563	16.1
124.04827	0.6
129.01926	0.7
129.27330	0.5
135.04529	1.8
136.07655	0.9
137.02446	2.4
137.06061	1.7
143.03432	0.8
147.02980	3.0
147.04491	1.6
149.02419	1.3
149.04567	0.5
149.05981	0.7
150.03168	0.7
150.05600	4.0
152.01123	2.1
158.23302	0.5
159.02960	1.8
161.04546	12.6
162.04982	0.5
165.05533	5.8
167.03471	7.9
167.07207	0.5
177.05605	3.4
181.05048	1.2
181.07147	0.5
189.05507	0.7
209.04497	0.7
225.56572	0.5
239.05559	0.6
285.09756	2.8
312.10831	1.5
329.08728	6.4
329.12506	0.7
330.08469	0.6
330.11957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0875
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.22844	0.5
59.01370	3.6
66.40155	0.5
70.89227	1.4
71.01379	1.1
85.02934	0.5
89.02462	0.5
93.03443	0.5
98.20544	0.6
101.02424	1.3
104.13836	0.5
108.02161	58.1
109.02478	1.3
121.02882	0.5
123.00882	1.1
123.04507	25.1
124.04812	1.4
124.14434	0.5
124.98800	0.8
137.02437	1.6
149.02440	0.6
152.01128	38.4
153.01457	1.7
166.02640	0.5
167.03470	100.0
168.03835	5.6
209.04436	0.7
219.24437	0.4
235.36595	0.5
329.08569	1.9
329.12198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17809	2.9
52.40687	2.9
54.22067	2.8
54.43442	2.6
56.16170	2.6
59.01375	23.9
60.62573	3.1
70.35265	8.2
71.01375	100.0
72.99301	25.7
73.02969	4.4
78.84709	2.5
79.95737	2.9
83.01360	2.8
85.02934	6.9
87.00871	39.4
89.02444	9.2
101.02428	8.4
106.55130	3.3
108.02156	20.7
108.21448	2.7
109.02961	3.9
113.02435	7.1
115.00356	26.7
121.02959	8.8
122.03725	40.3
123.04530	24.8
129.01921	14.0
138.08327	2.7
147.01810	4.6
147.02986	94.4
147.06633	5.3
148.03363	4.1
149.02454	4.4
149.04527	8.0
152.01141	6.9
161.04526	5.9
167.03471	32.8
181.05135	4.5
181.07103	6.3
191.05630	5.0
195.04865	4.8
235.60774	3.0
329.09027	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	329.1138
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
59.01373	3.8
66.53059	1.5
76.81240	1.7
78.86082	1.9
82.02959	5.4
82.62928	1.5
98.19848	4.5
102.98087	1.6
106.06620	6.5
108.04498	1.9
122.06086	2.6
125.04361	2.1
132.04544	21.5
133.05292	5.4
134.06108	28.1
136.15887	2.0
149.04810	2.7
160.04001	17.3
161.04803	36.4
162.05582	67.8
163.05890	3.2
193.03764	39.5
194.04080	4.4
212.07140	6.0
213.07922	3.0
214.08679	6.8
226.08896	2.6
241.06081	5.5
242.11826	3.2
243.11377	4.2
257.09183	8.5
268.09766	3.2
269.09344	5.6
285.12399	73.3
286.12790	6.3
311.10379	8.4
319.26227	1.7
329.11337	100.0
330.11588	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87953	1.2
55.01852	1.9
58.00584	3.5
59.01371	100.0
69.00329	1.1
71.01376	59.3
71.61370	2.7
71.83400	1.2
72.99284	3.9
73.02921	2.2
83.01361	2.6
84.38969	1.1
85.02930	10.1
87.00850	1.6
89.02435	67.2
93.03440	3.6
95.01357	4.0
101.02431	34.4
109.32473	1.3
113.01691	1.8
113.02433	25.2
119.03481	33.4
121.02940	1.6
134.03716	16.6
143.03461	3.7
149.04530	1.4
149.04916	1.5
149.06023	11.7
152.03438	2.5
155.07069	2.7
161.04597	1.9
168.02969	6.4
173.04546	12.2
179.05544	4.2
181.04900	1.5
210.04066	1.3
329.12274	9.2
330.08136	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	329.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75194	0.5
54.74962	0.6
57.41154	0.6
59.01373	100.0
60.01713	1.4
69.63544	2.2
69.63967	2.2
70.56867	0.6
71.01379	3.5
73.02936	1.3
83.01361	0.8
85.02929	1.3
93.63378	0.7
101.02422	3.9
113.02464	1.6
129.78928	0.6
143.03468	0.8
161.04570	3.9
163.29393	0.6
167.03380	0.7
269.10260	5.3
344.46579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
57.03443	4.1
59.01372	15.0
62.80009	2.2
68.99797	5.6
69.03461	4.7
71.01366	30.9
72.99320	2.8
73.02938	34.2
75.00872	19.5
83.01387	10.5
85.02944	9.1
87.00867	36.0
95.49965	2.3
96.43391	2.3
98.20632	5.5
99.00852	21.6
101.02435	42.7
101.09109	2.5
111.00878	34.8
113.02451	16.4
129.01944	46.7
131.03505	3.2
141.01915	3.6
159.02980	100.0
159.30707	2.4
160.03343	4.6
160.05185	2.4
181.08604	3.5
239.09303	4.4
281.45914	2.3
329.12433	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	329.1964
Annotation	oscr#17
Peak:m/z	Relative Intensity
57.03442	4.9
57.09504	1.0
59.01371	17.2
61.98829	0.9
66.66976	0.8
69.02047	0.7
83.05009	1.6
95.05028	1.8
96.96001	1.1
97.06578	15.6
98.20728	2.1
101.02435	1.1
111.08150	3.6
113.09705	1.9
118.23885	1.0
123.08151	7.4
125.02402	0.9
125.09707	99.1
126.10040	4.0
141.09184	3.5
143.10750	1.5
150.51025	1.0
159.10242	31.6
160.05185	1.3
160.10568	1.8
169.08618	2.0
173.11908	0.9
174.99556	0.9
175.07591	1.0
187.09718	23.7
188.10025	1.1
194.38992	0.8
210.42290	0.9
229.14488	1.6
230.14752	2.9
231.15073	4.0
249.22049	1.0
267.19608	7.0
267.22540	0.8
293.21158	1.1
311.18573	9.5
311.21774	1.6
314.04303	1.2
329.19653	100.0
329.23160	7.6
330.19962	8.9
330.23575	1.4
352.65375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57594	0.5
57.03443	1.1
59.01361	4.1
60.42906	0.5
71.05014	0.6
83.04990	0.8
85.02927	0.7
95.62126	0.5
97.06554	0.9
98.20628	1.5
99.08140	6.5
102.55794	0.5
121.02961	0.6
125.09684	1.3
127.11278	3.7
138.74605	0.5
139.11281	5.3
149.02432	0.5
155.14421	0.6
160.05115	0.7
165.12900	0.6
167.14362	1.3
171.08809	0.8
171.10246	12.7
172.10583	0.9
183.13878	4.7
193.12285	2.0
194.12735	0.5
197.11839	1.1
198.12128	1.0
209.11809	1.6
211.13367	25.9
212.13715	1.6
229.14401	15.2
230.14755	1.4
293.21143	1.0
295.51297	0.7
311.22217	1.6
329.23251	100.0
330.23627	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	329.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01984	0.3
57.03458	0.4
59.01370	3.6
67.16280	0.2
69.34882	2.5
71.01353	0.5
73.02927	0.4
73.45027	0.3
101.02449	0.4
107.05004	0.4
109.06482	0.4
121.02934	0.5
123.04514	0.5
125.09698	1.4
127.11279	3.9
137.06058	1.8
139.11292	0.6
141.12851	0.7
149.02365	0.9
152.03514	0.9
153.09232	0.4
155.10733	1.3
157.12292	0.7
165.05524	0.3
166.08765	0.3
169.12137	0.4
171.10249	8.3
172.10574	0.5
185.11844	0.6
192.06700	0.8
194.79642	0.3
201.11292	0.5
209.27480	0.4
211.13429	0.6
239.20152	0.4
255.23175	0.4
285.20679	2.2
293.21024	0.7
299.22223	0.9
311.22253	4.3
312.22543	0.6
327.21686	3.3
329.23257	100.0
330.23639	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	329.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76625	0.5
58.00594	1.3
59.01373	4.1
59.15939	0.4
68.72240	0.4
69.03439	0.5
70.39296	0.5
73.02891	0.5
84.02177	0.9
95.57847	0.5
95.77742	0.5
97.06593	0.6
99.08148	2.5
117.48344	0.5
125.09696	3.7
127.11276	5.9
128.11668	0.7
129.09163	2.7
133.96799	0.5
137.09677	0.9
139.11282	4.1
150.65915	0.5
155.10748	3.2
156.11061	0.5
165.09183	1.2
169.12334	2.1
171.08762	1.1
171.10245	22.6
172.10506	2.4
173.10757	0.8
181.12320	1.6
183.13911	0.8
193.12332	0.6
197.11815	0.8
199.09767	0.6
199.13364	6.9
201.11292	20.8
202.11575	1.2
211.13380	5.7
229.14302	1.1
269.37766	0.5
293.21198	3.5
311.22205	2.5
329.23273	100.0
330.23590	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	329.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.5
59.01097	1.2
59.01376	17.8
68.33826	0.6
70.89540	1.6
70.89919	0.7
71.01372	0.6
83.05005	0.8
88.71476	0.6
97.06585	0.8
99.08141	8.2
101.02409	0.6
127.07635	1.4
129.09200	7.9
133.52664	0.7
133.96156	0.6
155.14333	0.6
169.12334	4.1
181.12350	4.0
183.13939	1.1
193.12286	1.9
197.11775	2.3
199.13364	20.9
200.13667	1.5
211.13342	10.5
212.13754	1.1
227.12784	1.2
229.14381	0.9
275.20117	0.8
293.21173	2.4
311.22180	1.9
314.04449	0.7
329.23267	100.0
330.23590	11.3
344.59116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07397	0.6
52.23617	0.6
54.73270	0.6
58.78681	0.6
59.01367	3.2
61.98821	100.0
69.84647	1.4
69.85056	2.9
71.01379	1.2
72.50593	0.6
80.82568	0.8
83.21904	0.6
85.55761	0.7
92.57318	0.7
94.90784	0.6
101.02418	1.0
112.01498	0.6
113.14137	0.7
125.08075	0.7
183.54327	0.8
223.13324	1.7
302.86484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0667
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01373	1.7
69.03447	2.5
71.01369	2.2
71.15908	1.1
73.02941	0.9
79.01859	0.8
83.01384	1.4
85.02940	1.3
95.01361	1.0
96.21350	0.6
97.02939	2.5
101.02451	1.0
103.22614	0.6
107.01372	1.5
108.02166	1.4
109.56873	0.5
110.00085	2.6
113.02493	0.8
123.00866	3.7
124.01649	15.2
125.02433	60.2
126.02798	2.0
126.09245	0.6
129.02318	0.6
137.02440	0.8
137.99551	3.2
139.00366	1.3
149.94772	0.6
149.99573	29.4
151.00253	2.6
152.01114	0.7
153.01915	36.6
154.02454	1.2
155.03378	0.8
161.04538	0.8
167.03468	4.4
168.00621	59.9
168.04254	18.9
169.01332	5.2
169.05095	5.3
169.08682	0.7
193.01529	0.7
288.29898	0.7
313.05658	7.6
314.06192	0.8
331.06662	100.0
331.09772	3.9
332.06995	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	26.9
70.93076	10.4
70.93422	7.4
71.01382	26.2
73.02934	6.0
83.01366	5.0
85.02909	8.9
87.00874	10.2
89.02427	12.5
99.00884	6.4
101.02435	12.3
108.02158	50.2
109.02943	11.6
113.02439	14.3
123.04512	26.0
123.06432	8.4
150.03148	9.5
150.05563	12.3
151.03999	100.0
151.05931	21.1
153.01892	20.2
161.04549	25.7
168.00591	6.6
168.04306	8.4
169.05028	44.1
174.99187	6.7
179.05550	9.7
235.08194	6.2
271.08316	6.0
313.11176	8.7
324.61884	5.3
331.07858	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	331.1031
Annotation	Unedoside
Peak:m/z	Relative Intensity
59.01374	26.3
61.98821	2.0
71.01373	14.0
71.61158	1.0
73.02934	3.7
83.01373	1.5
85.02942	7.8
87.00869	2.1
89.02444	3.3
95.01381	1.8
98.17400	1.0
99.00842	2.5
101.02443	10.6
108.02164	100.0
109.02985	18.6
110.00109	1.1
113.02429	7.8
121.02946	1.3
123.00822	1.7
123.04519	8.3
125.02430	3.7
129.30200	1.0
138.03191	1.4
143.03453	1.2
150.03226	5.1
150.05608	1.6
151.03987	25.4
151.05933	2.0
152.04369	1.3
153.01939	5.7
155.49898	1.0
159.02977	1.5
161.04532	25.9
162.04898	1.6
163.04039	1.7
167.03545	1.2
168.00603	2.0
168.04277	3.5
169.01381	1.9
169.04993	7.7
187.06085	1.0
192.04787	1.1
271.08240	16.7
272.08197	1.2
292.32867	1.1
313.11591	1.1
331.06580	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	331.103
Annotation	Unedoside
Peak:m/z	Relative Intensity
58.00586	4.6
59.01372	85.6
62.02162	2.1
70.83324	5.5
70.83676	2.7
71.01378	46.7
72.99318	3.8
73.02922	3.1
81.03421	3.0
83.01367	3.8
84.92307	2.1
85.02940	10.5
87.00847	4.1
89.02435	46.7
89.60887	2.2
93.03446	5.3
95.01382	8.2
101.02436	30.6
105.01922	2.8
107.04997	8.1
113.02432	19.5
119.03490	23.3
121.02977	2.1
123.04537	12.7
135.04572	2.7
137.06039	3.5
142.96338	2.2
143.03444	3.7
149.02403	4.9
150.03262	3.4
151.03998	100.0
152.04333	4.9
153.05550	3.5
166.51361	2.2
169.05025	3.5
170.94711	2.2
173.04454	5.2
179.05592	5.5
233.59357	2.3
331.10294	73.8
331.14258	4.2
332.10742	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	331.1032
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01368	0.7
69.74331	2.2
71.01371	1.7
71.65191	0.4
73.02947	0.6
85.02959	2.7
89.02435	1.0
101.02430	1.3
108.02184	0.4
110.00087	6.3
113.02447	3.1
119.03507	0.5
123.00908	0.7
123.22716	0.5
124.01669	1.2
125.02416	5.2
137.02316	0.5
137.99585	8.3
138.03230	0.6
139.00389	2.0
140.01132	0.4
146.45760	0.4
151.00464	0.7
151.04021	0.6
152.01134	3.2
153.01921	100.0
154.02527	4.6
155.03482	2.2
161.04515	1.5
166.02728	1.1
167.03488	11.8
168.04262	51.6
169.05032	10.7
179.03496	0.8
181.05104	0.6
182.99365	0.6
191.03487	1.3
209.04628	1.2
211.06039	0.8
239.05620	0.4
299.07672	0.5
331.10229	5.1
331.13815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82418	1.9
57.81919	2.3
59.01373	7.6
60.67886	1.8
65.01672	1.8
71.01363	3.8
71.60316	2.9
73.02944	3.6
75.00856	3.0
85.02950	2.2
89.02431	16.6
101.07231	2.0
103.03979	2.2
124.01636	2.5
125.02461	8.8
131.03439	6.0
149.04538	100.0
149.99583	4.6
150.04906	3.7
151.00339	4.2
168.00609	7.1
183.30655	2.7
235.07880	2.0
331.06750	12.5
332.06860	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	331.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.27159	2.0
59.01372	34.5
66.30602	2.6
71.01377	27.0
71.61085	2.8
72.97538	3.7
73.02934	10.5
74.99104	2.6
75.00852	2.7
82.60452	2.3
83.01392	3.5
85.02946	10.9
89.02440	25.4
101.02429	17.5
107.01414	2.6
108.02161	9.4
109.02952	3.8
113.02443	7.8
113.06104	2.4
118.98171	2.3
119.03485	8.7
123.08112	3.3
124.01615	2.5
125.02431	26.3
125.09734	3.9
131.03510	6.3
137.99579	3.9
139.04002	5.5
149.04543	100.0
149.99551	8.2
150.04866	3.1
151.00319	5.5
151.04025	5.5
151.07634	6.1
152.98323	3.8
153.01918	27.9
157.05020	2.9
161.04494	6.9
167.03532	4.4
168.00642	18.0
168.04268	16.7
169.01385	9.0
169.04970	8.7
169.08733	13.6
173.04564	5.5
179.05597	3.2
180.24617	2.2
182.99413	2.5
191.05704	2.4
195.06659	2.7
211.06010	3.2
271.34241	2.7
331.06732	48.4
331.10239	4.6
331.13730	22.8
332.06805	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	331.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.7
59.01359	2.1
59.29550	1.1
69.03456	7.9
69.75266	4.7
71.01381	5.1
71.05006	2.1
73.02943	15.0
85.02946	1.2
87.00864	3.3
88.44596	1.2
88.45135	1.1
96.73521	1.1
101.02441	4.9
103.04002	3.2
111.08138	2.2
119.03508	1.9
125.06579	1.1
129.05583	1.1
139.11292	11.0
147.02946	2.4
153.09212	1.8
153.75378	1.1
165.09161	1.3
183.10243	100.0
184.10553	3.7
218.99188	1.2
283.50348	1.2
331.13889	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	331.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47695	0.8
55.01873	15.2
57.03448	4.6
58.00574	3.7
59.01373	100.0
63.99717	0.8
69.03451	7.0
69.51574	5.2
71.01373	79.0
71.05003	1.3
72.99303	5.1
73.02938	9.9
75.00867	3.4
81.22106	0.9
83.01385	6.0
85.02937	23.8
87.00878	4.4
89.02432	71.0
93.03457	3.5
95.01366	4.5
97.14246	0.8
99.00871	3.8
101.02433	49.1
111.00884	0.9
111.08154	1.7
113.02435	30.0
113.06052	0.9
119.03489	28.8
120.03857	1.0
125.02409	1.4
129.01929	20.9
131.03511	2.4
135.04527	1.6
137.02434	0.7
139.11279	8.7
143.03468	3.9
145.12132	0.8
147.02988	15.7
155.03412	0.8
156.73120	0.8
157.08701	2.4
159.02975	1.2
161.04541	7.7
169.12407	0.9
173.04520	16.7
174.04942	1.1
179.03494	2.0
179.05545	3.5
183.10233	43.5
184.10638	1.8
192.23430	0.8
267.76974	0.8
331.13922	24.2
331.17383	1.6
332.10385	1.0
332.14246	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.0
71.01365	7.8
89.02423	2.6
99.00866	15.1
101.02430	5.8
110.67390	0.9
119.03417	1.0
121.10201	11.0
147.01801	1.3
147.02982	28.2
148.03394	0.9
156.98918	0.9
165.09160	3.4
183.10233	100.0
184.10518	5.8
204.57364	0.9
229.93359	1.0
260.56042	0.9
331.13971	10.4
332.14383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70570	2.7
57.03445	18.5
59.01372	41.5
60.23654	2.6
63.81463	2.4
69.03444	18.2
70.28667	2.6
70.90895	6.2
71.01378	20.6
71.05006	5.9
72.99317	13.0
74.81412	2.6
75.00857	59.3
77.42359	2.3
79.26211	2.5
83.01373	7.9
85.02940	15.8
89.02432	11.4
98.29787	2.5
99.00885	10.7
101.02425	11.9
111.00844	6.1
111.08204	2.8
119.03490	3.7
123.08088	3.8
129.01912	23.2
135.04550	21.3
139.11243	20.5
147.02980	90.5
161.02391	7.2
173.04599	2.9
179.03453	16.9
183.08609	5.1
183.10239	80.4
184.10602	6.1
193.21880	2.6
204.43800	2.7
237.64781	2.6
304.18546	2.8
331.13937	100.0
332.09995	16.4
332.14270	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	331.1546
Annotation	epi-Norcembrene
Peak:m/z	Relative Intensity
52.12418	0.5
54.12587	0.5
59.01367	1.2
60.41443	0.5
65.46079	0.5
65.61289	0.5
71.01363	1.0
71.60805	0.9
73.22247	0.6
93.03436	1.8
106.04245	1.8
109.02943	0.7
111.00876	1.3
121.02953	5.0
133.02936	20.6
134.03723	37.6
135.04521	21.6
136.04819	1.2
137.02423	36.1
138.02774	1.6
139.03000	1.1
139.03989	12.4
150.03227	3.8
161.02443	5.7
161.09760	0.7
165.01895	1.2
166.90012	0.5
178.02675	15.5
179.03471	27.3
180.03770	2.3
188.08389	1.3
287.16479	1.9
331.15442	100.0
332.15750	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	331.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.1
57.03456	4.3
58.00580	3.2
59.01373	81.2
63.03566	0.8
67.01877	1.3
69.03452	2.5
69.53331	3.1
69.53757	2.9
71.01375	74.4
72.01723	1.5
72.99300	4.2
73.02937	76.6
74.03269	1.0
75.00854	1.5
79.01854	0.7
79.33572	0.8
81.03436	0.8
83.01375	12.5
85.02942	33.0
87.00853	6.6
89.02426	14.8
91.05521	1.9
93.03446	9.8
95.01383	5.9
96.38342	0.8
97.02931	3.9
98.20661	1.5
99.00869	8.1
99.04547	0.9
101.02430	65.0
102.02798	1.1
103.03995	1.7
107.05016	3.4
109.02939	0.8
113.01685	1.6
113.02438	27.9
115.00390	1.4
119.03485	6.5
123.04511	1.3
125.02413	2.1
127.26622	0.7
129.01926	1.2
133.02934	9.6
134.03702	1.5
135.04514	52.9
137.02426	1.7
141.01170	0.7
143.03450	3.0
150.03174	0.9
151.07684	1.2
155.03415	1.2
157.08685	11.6
159.03011	4.3
161.02521	15.7
161.04530	96.0
162.04918	3.7
169.12413	0.7
173.04517	30.8
174.04869	1.2
179.03471	47.2
183.10220	1.5
184.20256	0.9
211.52286	0.9
311.09552	2.3
330.60059	1.1
331.14102	5.2
331.17548	100.0
332.09998	37.2
332.17880	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	331.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.68922	0.3
57.03451	2.3
58.00589	4.7
59.01371	100.0
60.01707	1.1
65.88236	0.3
69.03449	0.4
69.79526	1.7
71.01373	65.8
72.01731	0.9
72.99301	4.3
73.02950	2.9
76.28383	0.4
83.01369	2.8
84.02159	0.7
85.02939	13.0
87.00863	2.8
89.02431	70.4
89.81329	0.3
90.02759	1.3
95.01376	5.0
97.02959	0.4
99.00868	1.4
101.02431	32.8
101.11838	0.4
102.02773	0.5
113.02433	25.0
114.02769	0.9
119.03486	26.6
120.03804	0.5
125.02362	0.5
129.01883	0.4
131.03505	2.7
143.03464	2.9
149.04517	1.8
161.04527	2.7
179.03452	0.4
179.05531	2.4
183.10225	1.8
331.13544	1.0
331.17432	1.2
332.09595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.7
57.03436	6.8
58.00579	2.4
59.01371	86.6
60.01690	1.3
67.01896	1.3
69.03446	3.4
70.31780	3.0
70.76471	0.6
71.01372	94.8
71.05032	1.1
71.29082	0.8
72.01703	2.2
72.99304	5.1
73.02937	69.7
74.03263	1.1
75.00867	1.4
78.42554	0.6
81.03464	1.5
83.01375	16.1
83.05021	1.4
85.02940	46.3
86.03278	0.9
87.00856	6.4
89.02431	18.1
91.05538	1.5
93.03448	7.4
95.01367	6.4
97.02930	4.1
99.00871	13.4
99.04492	1.1
101.02431	79.8
102.02795	2.0
103.03968	1.4
107.05022	2.5
109.02996	0.8
111.00896	1.0
111.04469	0.9
113.02432	35.8
114.02798	1.0
115.00339	1.1
119.03500	5.9
125.02422	3.2
129.01982	1.6
132.02206	1.1
133.02945	7.5
134.03745	1.6
135.04504	49.6
137.02415	1.9
143.03525	4.0
143.04477	0.7
147.04451	0.7
149.04614	0.8
151.07509	0.8
155.03464	1.2
157.08679	8.5
159.02966	7.7
161.02527	16.4
161.04529	100.0
162.04921	3.4
173.04521	29.0
174.05600	1.0
179.03470	41.1
183.07162	0.7
183.10298	1.9
187.13464	0.9
202.67523	0.7
205.03481	0.9
311.09433	2.6
330.60052	1.2
331.14139	4.2
331.17557	87.8
331.59500	0.7
332.10007	33.7
332.17911	9.8
344.63373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.2
61.59833	7.3
68.74739	7.8
71.01359	9.2
97.42925	7.2
103.01533	8.5
103.16344	6.8
109.02930	9.1
127.32714	7.9
195.13802	8.5
272.47379	9.1
295.22736	100.0
296.22870	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	331.2483
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
58.00583	0.6
69.35687	2.9
98.20644	0.8
118.97234	0.4
120.98183	0.3
125.09731	1.3
127.11270	6.1
133.13452	0.4
137.05965	0.4
141.12825	0.4
143.10777	1.4
155.10800	1.7
157.12320	4.1
170.72897	0.4
171.10219	2.3
187.13359	0.9
201.11395	0.9
212.74011	0.3
295.22739	1.5
299.99750	0.4
304.86957	0.4
311.22180	1.0
313.23798	7.1
314.24176	1.1
329.23337	4.1
330.94516	0.5
331.24844	100.0
332.25198	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	333.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03428	0.7
59.01374	15.4
60.01698	0.3
65.03957	3.6
67.01885	0.4
68.99789	0.4
69.03449	0.8
69.92982	0.6
69.93388	1.0
71.01334	0.5
73.38206	0.3
75.21365	0.2
81.03454	4.8
83.05019	19.9
84.05338	0.5
85.02946	3.5
92.02717	0.3
93.03449	92.4
94.03783	3.5
95.01369	0.6
95.05023	0.5
96.02158	0.3
97.02939	0.5
97.06583	1.4
99.04478	0.4
107.05019	6.4
108.02123	0.3
108.05376	0.4
109.02944	8.5
109.06523	0.5
110.03783	1.3
111.04508	100.0
112.04837	3.4
123.04516	2.7
124.05261	0.4
125.06067	8.9
126.06393	0.4
127.04008	1.2
135.04514	35.0
135.93408	0.3
136.04845	1.3
137.02432	20.5
138.02789	0.6
138.16989	0.3
151.04012	1.7
153.05559	44.8
154.05878	2.4
155.03496	3.3
164.14301	0.3
167.98982	0.3
169.05095	0.6
179.03479	3.2
179.09534	0.3
195.94670	0.2
197.04538	3.6
245.08057	0.3
273.07654	54.9
274.07983	6.1
277.90109	0.2
287.09268	1.6
291.08746	2.0
315.08694	9.9
316.08942	0.8
332.25092	1.1
333.09769	2.0
333.25409	1.2
334.25858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15058	1.0
53.18290	1.1
67.35384	1.0
69.39590	6.2
69.39996	2.9
90.03484	1.6
92.05037	7.9
95.32976	1.1
98.19826	2.7
98.86324	1.1
103.04267	3.1
104.05063	6.6
108.04530	1.6
110.02478	2.5
111.46948	1.0
118.02964	1.6
119.15823	1.3
120.04522	3.2
122.06094	15.7
123.03287	2.7
136.04033	2.5
138.05592	17.3
138.09204	1.2
140.07152	10.5
146.54535	1.3
148.04008	4.3
152.03485	1.2
154.06613	2.5
156.59773	1.3
158.09766	2.0
166.05070	11.0
167.05800	2.0
168.06564	3.3
168.08145	3.4
169.08894	3.4
172.11328	10.7
182.09608	1.5
184.11282	18.6
185.11725	1.6
186.05582	2.0
187.06294	3.4
188.10760	1.8
198.04205	2.1
198.09280	1.8
199.08723	1.5
200.07156	2.5
201.07765	2.8
202.12355	11.2
211.05067	1.6
212.05869	4.9
213.06543	1.3
213.10196	1.3
214.08694	3.3
215.09506	3.2
216.06715	2.3
216.10349	12.9
217.07410	37.8
218.07689	1.9
224.05830	2.8
225.06573	2.3
226.07353	5.8
227.04587	2.8
227.08127	3.3
228.10278	1.7
231.08980	18.2
237.06650	1.8
240.09045	1.6
241.06194	2.2
241.09775	25.4
242.06815	2.9
242.10289	2.0
243.11330	3.5
246.11305	82.0
247.11621	9.1
253.09775	13.9
255.07693	3.4
256.08286	2.3
259.10773	18.0
260.11206	1.9
270.10178	1.9
271.10831	100.0
272.08566	5.8
272.11197	7.2
289.11874	16.4
290.12268	1.7
315.09836	9.6
333.10852	73.3
334.11237	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	333.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20830	0.8
59.01364	3.0
63.06627	0.8
67.01882	4.4
69.03424	0.9
71.01390	4.6
71.61311	1.0
72.15148	0.8
83.05012	1.2
90.87528	0.7
93.03452	26.2
94.03767	1.1
95.05009	3.2
96.20638	0.7
97.06580	19.6
101.02447	1.1
109.02959	1.9
109.06618	1.4
111.00846	0.9
111.04500	6.0
115.07640	6.0
127.07644	4.7
133.02924	2.6
135.04475	0.9
137.02422	3.3
152.80141	0.7
153.01872	1.1
155.03487	4.1
159.06601	29.4
171.06653	4.2
173.04524	100.0
174.04843	4.1
184.75771	0.8
209.19926	0.8
333.11847	19.1
334.12274	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13555	2.1
56.00543	2.2
58.00580	3.7
59.01373	71.7
59.80629	2.1
66.43412	2.2
69.24006	3.0
71.01374	57.5
71.61848	4.2
72.99298	7.0
73.02918	5.2
74.99080	3.2
75.05852	2.0
83.01371	6.3
85.02927	13.5
87.00880	6.6
89.02434	60.8
93.03448	7.2
95.01340	5.0
95.05007	8.2
96.96023	4.3
97.05951	3.6
97.06581	61.8
101.02436	35.3
109.06566	4.3
111.04496	3.1
113.02443	24.4
115.07635	14.4
119.03487	22.7
120.99640	3.7
125.02448	2.8
125.05998	2.9
126.83295	2.2
127.07644	4.0
127.68289	2.9
135.04518	13.3
136.99126	3.5
137.02385	3.5
137.06088	7.2
143.03535	2.6
145.61304	2.2
153.05544	27.4
155.03493	3.9
159.06610	100.0
160.06975	3.3
161.04565	7.9
173.04494	18.8
178.83400	2.3
179.05574	4.8
191.05605	2.9
209.95557	2.2
289.12177	2.3
333.06024	4.8
333.07608	3.1
333.11841	43.3
334.12247	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	333.1189
Annotation	CHEBI:19923
Peak:m/z	Relative Intensity
55.01826	0.9
57.03433	1.1
58.00584	2.7
58.19560	0.9
59.01373	73.7
66.31812	0.9
71.01375	44.9
71.14686	1.2
71.15009	1.4
72.99293	4.6
73.02948	2.6
74.14938	0.8
74.99088	4.4
75.00890	1.1
78.95899	18.9
80.08475	0.8
83.01369	4.4
83.04993	1.4
85.02942	9.0
87.00853	2.5
89.02433	40.6
90.02775	1.0
91.80577	1.0
93.03444	3.0
95.01384	4.0
96.96003	1.5
96.96942	4.9
97.06589	3.8
101.02438	31.2
109.06566	10.2
111.00800	1.0
111.04478	1.6
113.02445	15.1
118.98064	1.9
119.03487	18.2
120.99605	4.8
125.02409	1.2
131.03502	1.9
136.99129	3.9
143.03435	2.4
144.21843	0.9
149.04532	1.8
152.99545	13.7
153.05562	6.1
154.05092	1.3
159.06596	6.0
161.04539	2.7
169.04980	1.4
171.00578	2.2
171.05345	1.2
171.06638	3.0
171.32990	1.1
173.04578	2.3
179.05579	3.4
191.05544	1.2
197.02728	1.1
230.02467	2.4
241.01166	8.6
245.04903	3.7
333.05975	19.5
333.11865	100.0
334.06439	1.4
334.12164	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	333.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.1
67.01884	36.5
68.02199	1.2
69.03448	23.7
70.03737	0.9
71.61620	0.9
73.02949	2.1
78.86742	0.7
78.95911	3.2
79.50883	0.7
93.03445	1.8
93.07098	1.3
95.05018	28.5
96.05350	1.0
99.04508	61.4
100.04839	2.3
111.00871	100.0
112.01208	3.6
119.04984	0.9
119.44470	0.8
121.02939	26.1
135.04510	1.4
137.06078	14.3
139.04018	2.9
148.08101	0.8
151.07626	14.6
153.05582	7.9
155.07108	0.7
169.08707	6.3
181.05043	56.0
182.05400	3.3
183.06573	2.8
192.64392	0.8
213.05612	1.4
213.07658	28.2
214.08041	1.3
226.16493	0.8
288.36835	0.8
333.09393	0.9
333.14679	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	5.4
67.01881	31.1
68.02214	1.1
69.03446	21.4
71.60444	1.4
73.02951	2.3
93.03436	3.8
95.05013	29.3
99.04507	63.1
100.04845	1.4
103.29163	0.9
109.06583	1.8
111.00869	100.0
112.01199	3.0
112.38587	0.9
119.04910	1.1
121.02943	25.6
137.06073	13.3
139.03964	2.5
151.07617	1.9
153.05547	7.5
169.08667	5.1
181.05037	63.1
182.05347	2.6
183.06520	1.3
198.31108	1.0
213.07649	32.1
214.07913	1.8
256.75568	1.1
302.44690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12286	0.7
54.07444	0.8
54.49610	0.8
59.01364	5.4
59.99972	0.7
60.05489	0.8
61.98777	0.8
67.01882	35.2
68.02230	0.8
69.03442	19.0
69.51903	4.7
69.52313	1.1
70.03773	0.8
73.02948	2.7
93.03452	3.0
93.07098	0.9
95.05013	27.2
96.05348	1.3
98.20554	1.8
99.04507	60.1
100.04844	2.2
111.00867	100.0
111.19240	0.8
112.01204	3.1
121.02943	28.5
135.04504	0.8
137.06068	12.7
139.04007	3.8
143.03508	0.8
144.37978	0.8
153.05554	8.5
169.08652	4.1
178.24138	0.8
181.05038	62.3
182.05391	3.5
195.06578	1.3
200.09746	0.8
213.07668	28.6
214.07977	1.6
215.26625	0.8
342.06619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.8
59.01374	3.3
69.03481	1.2
69.54348	5.3
69.54682	1.1
69.99258	0.6
71.01382	2.8
72.99315	2.4
75.00860	15.6
85.02945	2.6
89.14389	0.6
99.00892	1.9
101.02432	0.7
112.55196	0.7
129.01941	2.7
135.04526	1.1
139.11261	2.4
146.40776	0.7
147.02986	17.2
154.56772	0.8
171.10268	0.7
185.11809	100.0
186.12143	6.4
239.66495	0.7
245.19417	0.8
333.15500	35.7
333.78726	0.7
334.15817	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
68.19166	0.4
69.03449	0.8
71.01373	3.6
73.02934	9.6
74.16210	0.4
87.00867	2.0
89.02412	0.7
91.65286	0.5
92.84893	0.4
98.19810	1.0
101.02441	2.9
103.04005	2.4
109.45366	0.4
119.03502	1.5
127.16272	0.4
139.11276	2.3
147.02934	1.2
185.11795	100.0
186.12138	6.5
196.16734	0.4
333.15512	14.7
334.15741	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	333.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
59.01366	1.8
65.07745	0.4
68.99812	1.0
69.03454	1.6
71.01377	11.4
89.02422	2.7
98.20625	1.3
99.00871	22.8
100.01215	0.8
101.02439	7.7
115.00349	0.8
117.01917	0.8
119.03452	2.4
129.01955	1.3
139.11282	3.2
147.02980	53.8
148.03305	1.8
185.11806	100.0
186.12148	6.5
187.99216	0.5
205.90605	0.4
229.20436	0.5
333.15500	20.3
334.15823	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	333.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01074	0.3
57.03428	1.3
59.01367	3.3
60.99327	0.5
67.01881	4.2
69.03436	0.7
69.36143	3.4
71.01371	4.2
71.05010	3.9
72.01693	0.4
78.95872	0.4
81.03436	0.9
83.05016	1.0
85.02954	0.9
85.06554	2.4
87.00893	0.9
89.02417	0.4
93.03445	26.2
94.03786	1.1
98.20686	0.7
101.02492	0.4
101.41697	0.4
107.26862	0.4
109.02945	1.3
111.00854	1.1
111.04494	4.7
113.02433	0.5
113.09712	10.7
125.35374	0.4
133.02951	0.5
137.02428	5.2
141.09181	1.1
155.03487	4.6
155.10742	1.1
157.08681	0.4
158.35789	0.4
159.10243	26.1
160.10564	1.0
173.04517	100.0
174.04858	4.8
181.76125	0.3
185.22722	0.4
191.05591	2.9
219.03751	0.4
223.62491	0.4
291.14603	1.0
333.11526	0.6
333.15469	11.3
333.19250	0.7
334.15775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30285	0.9
56.40825	0.7
57.25257	0.8
59.01379	1.4
69.80597	3.2
69.81011	1.8
71.01380	4.5
71.01714	0.7
73.02945	9.8
80.11536	0.7
87.00884	2.6
101.02418	2.9
103.04001	2.4
139.11281	2.0
185.11810	100.0
186.12151	6.0
193.90755	1.0
219.55959	0.9
274.14188	0.8
295.44699	0.7
333.15506	11.0
334.15814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1705
Annotation	epi-Juruenolide C
Peak:m/z	Relative Intensity
50.99932	0.4
54.27428	0.4
56.36369	0.4
57.03435	1.2
59.01375	2.8
61.98810	0.7
67.01877	2.8
69.03452	3.0
71.05009	0.6
71.60829	0.4
81.07050	1.0
83.05027	0.4
87.04510	1.6
93.03441	2.1
94.67570	0.4
95.05025	2.2
99.04494	5.2
99.05066	0.5
101.06063	0.7
111.00878	7.0
111.04496	1.8
117.03454	23.7
118.03714	0.6
119.05018	12.1
120.05344	0.4
121.02946	7.1
123.04494	1.4
130.08708	0.7
133.02904	0.5
135.04535	0.9
137.02431	0.5
137.06094	0.9
145.02936	100.0
146.03276	4.9
153.05556	1.2
162.03224	2.6
163.03981	6.2
163.69595	0.4
164.04411	0.5
181.05028	4.0
185.11757	0.8
187.13400	1.3
190.90149	0.4
213.07645	1.6
272.98618	0.4
318.17410	0.5
333.17029	52.4
334.17395	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	335.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.6
59.88136	0.3
61.98833	0.5
63.90266	0.3
65.03957	0.7
69.59460	1.9
69.59874	0.9
71.01363	0.7
73.02933	1.3
78.44466	0.4
81.03465	0.8
83.05022	1.9
85.02925	0.6
93.03445	12.1
94.03735	0.5
99.00893	0.5
99.04485	1.1
107.05021	1.4
109.02911	0.4
111.04498	3.1
117.03479	0.9
133.02945	8.1
134.03748	4.5
135.04509	100.0
136.04842	5.1
137.02426	5.3
155.03487	2.0
161.02423	23.8
162.02748	0.8
166.28413	0.3
173.04514	1.4
179.03476	85.1
180.03815	4.3
211.68825	0.4
213.69980	0.5
238.27409	0.3
291.08444	0.4
335.07687	29.0
336.08044	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	335.0768
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
54.46373	0.6
59.01382	0.7
61.98836	3.1
65.04015	0.7
67.83791	0.6
69.38403	2.5
69.38817	2.3
73.02950	1.3
81.03441	0.9
83.05031	2.0
89.15044	0.6
93.03450	10.7
107.05033	1.5
109.02900	0.9
111.04520	4.3
117.03532	1.1
131.39838	0.7
133.02950	7.8
134.03729	5.7
135.04514	100.0
136.04842	4.8
137.02412	4.6
152.62686	0.6
155.03450	1.8
161.01076	1.2
161.02428	23.9
162.02805	1.4
165.01859	0.6
173.04483	1.6
179.03476	86.9
180.03790	5.4
182.42950	0.7
184.81244	0.7
212.89992	0.6
222.28719	0.6
335.07681	31.7
336.07867	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	335.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65745	68.2
69.66164	100.0
95.35987	30.1
112.45964	29.2
175.76266	27.6
273.41467	28.9
294.23178	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.09
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14128	24.1
70.17336	100.0
86.31749	23.0
89.67664	28.7
105.83428	23.4
145.45491	23.7
158.99496	25.1
170.64874	26.0
279.65698	27.4
335.13791	29.1
339.74942	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	335.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80315	0.8
55.01865	1.0
57.03440	1.3
58.00579	3.0
59.01373	68.8
61.98787	0.8
63.75805	0.8
64.39590	1.0
71.01375	44.5
71.61563	1.2
72.99294	4.2
73.02935	2.3
83.01367	3.2
85.02943	8.8
87.00868	2.6
89.02432	38.9
93.03435	1.4
95.01383	3.3
96.95982	1.0
97.02912	1.2
99.04478	1.3
101.02430	33.5
111.08146	2.1
113.02435	16.2
119.03484	19.6
120.99631	7.1
126.98573	1.3
131.03479	1.9
137.02443	2.9
138.01901	1.0
139.07642	1.2
143.03474	2.2
155.03447	0.8
155.07126	6.6
161.04521	2.4
173.08163	3.5
179.05600	3.9
202.59329	1.0
213.07675	4.3
273.12231	0.9
327.32074	0.8
335.13428	100.0
336.13770	9.0
359.94977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
57.03430	0.9
59.01096	0.7
59.01373	8.8
71.01370	10.0
71.22701	0.5
71.60587	0.5
72.99296	1.1
73.02934	3.6
80.74870	0.5
83.01379	1.8
85.02940	4.0
87.00870	1.4
88.50827	0.5
89.02438	0.9
95.01353	0.6
99.00847	1.4
101.02425	6.2
105.21360	0.5
111.00862	1.1
113.02433	2.5
124.01614	0.5
127.11271	1.9
159.98465	0.5
160.97401	0.6
169.22221	0.5
173.04535	1.7
173.11792	34.3
174.12143	1.6
243.65132	0.4
276.37991	0.5
317.16089	3.0
335.17041	100.0
336.17413	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	335.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.03432	2.2
59.01093	1.2
59.01373	14.8
59.17419	0.7
61.98824	43.6
71.01373	15.6
71.61355	0.9
71.85425	0.7
72.99297	4.1
73.02937	6.4
75.00861	10.7
78.95876	1.0
81.03429	2.5
83.01380	2.4
83.05021	3.8
85.02946	5.2
87.00882	3.5
89.02435	4.0
99.00875	2.4
99.04517	3.4
101.02437	6.6
109.06553	1.7
111.00860	1.6
111.08147	35.4
112.08467	1.6
113.02433	3.5
113.09755	0.7
113.44955	0.7
119.03488	1.0
125.02428	0.9
125.09695	4.5
127.11302	1.2
129.09235	1.5
135.04518	2.1
143.03447	2.7
147.02960	0.9
150.67850	0.7
152.34587	0.7
155.10738	2.3
161.04530	7.4
171.10211	1.7
173.08168	37.2
173.11797	32.9
173.13318	1.0
174.08427	1.8
174.12181	1.4
179.03432	2.4
179.05536	2.0
187.09709	5.2
199.06129	1.1
243.12213	0.7
247.81139	0.7
256.84863	0.8
317.12473	0.9
317.15964	2.8
331.23584	0.8
335.13327	27.0
335.17053	100.0
336.13681	2.9
336.17383	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	335.2222
Annotation	Sphaeropsidin F
Peak:m/z	Relative Intensity
50.05489	1.8
57.62427	1.8
59.01366	2.9
59.50315	1.7
61.98830	1.7
64.56528	1.9
69.46600	5.1
69.47012	6.8
71.05011	6.1
85.02928	1.7
91.85909	1.8
97.06579	2.4
98.19844	2.0
104.72303	1.5
109.06590	6.7
111.04501	4.6
135.04526	2.3
135.39180	1.8
179.03548	2.2
202.70210	2.0
223.17021	4.6
240.79057	1.8
259.29263	2.4
263.16382	2.7
273.22281	2.0
317.21149	100.0
318.21460	11.2
335.22229	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2223
Annotation	Vitexifolin E
Peak:m/z	Relative Intensity
52.10275	0.6
59.01374	100.0
60.01711	1.5
60.89729	0.6
69.91932	2.3
89.53177	0.6
151.66574	0.5
198.83670	0.6
212.63463	0.6
213.86914	0.7
225.79747	0.6
231.21181	1.3
275.20120	25.4
276.20551	3.2
293.21240	10.4
293.24310	0.9
294.21747	1.0
304.43021	0.7
335.18839	0.9
335.22186	3.3
347.96942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
61.98821	0.9
78.61741	0.6
96.96008	3.3
106.20704	0.6
111.22543	0.5
119.93738	1.4
133.98097	0.6
134.96069	25.6
135.91452	0.6
135.96150	1.8
136.93991	78.4
137.94064	5.8
149.23347	0.6
151.88692	0.6
151.92725	5.1
152.91745	34.1
167.90381	3.5
172.14040	0.6
178.95036	100.0
179.95123	9.2
194.92783	54.8
195.93050	1.1
210.90739	1.8
212.93852	3.6
226.90117	0.9
228.06970	0.7
230.43057	0.7
247.87083	14.6
248.37126	10.8
248.87024	8.5
250.93837	2.3
252.91737	2.8
253.91876	0.6
256.87662	9.1
257.87726	2.4
274.88693	26.9
275.88834	4.4
276.86752	3.5
287.84955	27.7
288.34985	17.8
288.84872	14.5
292.94937	8.2
293.95248	1.1
294.84982	1.4
294.92850	18.7
294.96014	1.2
295.84012	0.9
295.93054	2.2
307.84015	1.6
316.84424	5.3
336.83383	5.8
336.93918	80.8
337.33533	0.9
337.83395	1.6
337.94125	11.3
354.84338	7.5
355.84506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27936	1.5
52.02660	1.5
59.01371	30.0
63.24708	1.8
69.64318	12.0
69.72195	1.8
71.01382	3.7
73.02949	2.3
85.02944	7.5
87.00869	2.1
89.02444	5.3
93.03443	3.6
96.95982	1.9
101.02440	2.8
113.02439	4.1
113.99593	2.5
118.86667	2.2
119.03558	3.1
119.05006	53.2
123.75344	1.9
139.03984	7.4
145.02907	2.4
147.03043	2.6
155.03432	2.3
163.03983	100.0
164.04341	6.2
173.04520	5.4
174.01672	2.6
191.05544	11.5
337.07562	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	337.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.0
59.01367	7.6
64.17876	1.0
64.94968	1.1
68.99816	2.6
69.03443	1.3
70.58929	2.6
71.01364	5.1
73.02924	2.6
75.00870	2.2
77.84969	1.1
78.95884	1.4
83.01370	1.5
85.02947	24.2
85.81378	1.2
87.00861	3.1
89.02430	3.0
93.03444	6.4
96.95988	5.8
96.96942	2.9
99.00848	4.9
101.02424	4.2
111.00862	3.2
111.04503	3.5
113.02444	7.0
113.99578	15.3
115.00359	6.3
119.05019	51.1
120.05346	3.2
120.99658	2.4
122.99223	2.6
127.00375	2.9
129.01917	4.3
135.04514	1.5
137.02472	1.4
139.07561	1.3
145.02898	3.5
147.02989	5.6
155.03488	2.0
157.01413	4.6
162.89355	3.1
163.03996	100.0
164.04344	6.7
173.04514	6.0
174.01683	14.4
175.02356	3.5
188.61862	1.1
191.01930	3.2
191.05603	12.8
213.07666	2.7
231.06813	1.2
235.79944	1.0
276.37927	1.3
277.05573	14.8
278.05933	1.4
337.07715	83.6
338.08115	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.1
59.01369	3.3
68.99830	1.8
69.03464	0.9
71.01385	3.8
71.60520	0.9
71.60915	0.9
72.99281	1.0
73.02938	1.5
75.00864	1.3
78.95879	1.7
83.01377	1.4
85.02948	10.4
87.00850	2.8
89.02416	1.2
93.03428	2.8
95.01366	1.1
96.96012	5.7
96.96950	1.7
99.00861	4.3
101.02425	1.9
111.00871	2.6
111.04494	1.7
113.02431	5.5
113.98805	1.1
113.99583	18.2
115.00372	7.3
119.05027	20.1
119.05883	1.3
120.05409	0.8
127.00362	3.0
129.01891	3.7
133.01497	0.9
137.02475	1.2
139.00314	1.0
141.01941	0.8
145.02968	0.8
151.49889	0.7
155.03506	1.3
157.01422	4.4
160.46547	0.8
162.89293	1.6
163.03999	30.7
164.04349	1.3
169.01437	1.5
173.04536	1.3
174.01683	16.6
175.02423	1.8
191.01854	0.8
191.05597	3.4
211.37048	0.7
277.05615	18.1
278.05963	0.9
337.07721	100.0
338.08038	8.1
358.95422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37498	0.5
57.03443	0.9
59.01370	1.8
60.99289	0.9
67.01884	6.0
67.75235	0.6
69.03432	1.7
70.45093	0.6
70.45422	1.4
70.59402	0.6
71.01370	3.0
81.03442	1.7
83.05006	1.3
85.02949	5.9
87.00868	4.8
93.03447	34.7
94.03814	1.1
99.04504	1.1
109.02916	1.2
111.00906	0.8
111.04500	6.6
113.02444	0.6
119.05019	18.9
127.03976	1.5
129.01984	0.8
137.02408	3.1
145.02966	1.3
155.03476	3.9
163.03981	18.6
164.04320	0.8
173.04524	68.3
174.04881	2.8
181.30614	0.6
191.05585	100.0
192.05885	4.9
337.09250	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	337.0924
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
52.21563	0.3
56.30318	0.3
57.03426	1.0
59.01363	1.4
61.18317	0.3
62.13433	0.3
63.77966	0.4
66.91812	0.3
67.01880	4.3
67.30877	0.3
69.03432	0.8
69.63055	1.7
71.01376	2.6
81.03455	0.9
83.05011	1.0
85.02937	0.7
87.00877	0.6
93.03445	26.5
94.03780	0.7
109.02940	0.8
111.00871	0.8
111.04507	5.1
111.08132	0.5
119.05011	13.7
120.05312	0.8
127.03994	0.5
137.02428	4.1
141.26694	0.4
155.03471	4.4
159.02919	0.4
163.03990	19.1
164.04323	1.0
173.04518	100.0
174.04877	4.9
191.03899	0.7
191.05589	7.1
193.88966	0.4
298.25900	0.4
337.09216	4.2
337.15225	0.5
338.09338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0925
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
54.37749	0.4
56.08819	0.4
59.01370	1.3
60.44777	0.4
64.05649	0.4
67.01891	0.7
85.02944	6.2
87.00858	1.6
93.03445	5.1
111.04505	1.4
119.04999	2.0
121.37415	0.5
127.04002	1.9
145.02928	0.8
163.03981	2.1
173.04507	3.4
191.05585	100.0
192.05914	4.0
337.09366	3.0
350.35056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.25138	0.7
59.01368	2.2
60.76588	0.6
60.99289	1.4
67.01876	4.8
69.03439	1.6
70.91825	2.0
71.01371	2.6
77.45139	0.8
81.03450	0.8
83.05014	1.1
85.02935	6.0
87.00877	5.6
91.43327	0.6
93.03447	30.6
94.03788	1.3
96.23480	0.7
105.25350	0.8
109.02905	1.1
111.04506	5.7
118.41047	0.8
119.04224	1.3
119.05017	18.1
120.05389	1.1
127.03989	1.8
129.01918	1.0
134.00183	0.7
137.02444	1.0
145.02946	1.5
155.03467	2.4
163.03993	22.6
164.04309	1.5
173.04520	33.8
174.04836	1.2
191.05583	100.0
192.05957	4.7
214.65671	0.6
257.32623	0.7
313.96442	0.7
337.09229	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	337.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88800	0.2
59.01372	0.5
64.67402	0.2
69.68101	1.2
75.35414	0.2
78.95866	0.5
79.95727	1.6
80.18756	0.2
96.96000	100.0
97.95914	0.5
102.05596	1.0
107.06561	0.2
116.07140	0.4
127.07651	1.3
128.03535	0.8
146.04547	0.3
166.49353	0.3
173.04515	0.5
191.05687	0.4
257.17538	2.7
278.13916	0.3
291.06525	0.3
337.13226	44.8
338.13272	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2051
Annotation	LISURIDE
Peak:m/z	Relative Intensity
50.37547	0.5
50.42810	0.5
59.01377	3.2
61.98819	0.7
68.99561	0.9
71.53046	0.7
79.95727	6.7
80.96539	0.6
94.98069	0.9
95.95216	1.9
96.95998	79.0
102.91347	0.5
112.98553	1.4
122.97559	3.0
215.01942	0.6
255.23232	5.4
272.95221	0.6
337.20483	100.0
338.20798	12.1
342.53290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2379
Annotation	Betaenone E
Peak:m/z	Relative Intensity
59.01372	100.0
60.01712	1.4
71.18290	1.5
104.16029	0.5
173.04529	1.2
191.05565	1.9
238.30124	0.6
265.21893	0.7
277.21689	6.8
278.22198	0.7
295.22733	35.0
296.23148	4.8
337.23779	10.6
338.24020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2379
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
55.14362	0.6
57.03440	4.6
58.70510	0.7
59.01374	5.1
60.17417	0.6
69.03455	1.1
70.73177	1.5
70.73508	1.2
71.01379	1.1
71.05006	2.9
72.02153	2.4
78.95859	0.7
85.02946	3.0
87.04502	100.0
88.04857	2.0
93.03452	1.4
96.95986	1.1
99.04510	1.2
116.05051	10.8
142.52602	0.9
153.58395	0.6
163.03954	1.1
173.04517	2.1
191.05608	5.1
237.30093	0.8
257.22601	1.9
275.23691	3.1
277.12952	0.8
277.21625	1.1
291.23355	0.8
337.23779	89.3
338.13849	1.6
338.24146	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	338.1605
Annotation	Aucherine
Peak:m/z	Relative Intensity
58.02969	7.1
59.00418	1.0
59.01371	12.5
81.03455	1.6
84.04532	4.3
89.22863	1.1
100.07654	5.1
102.05595	85.5
103.05946	1.6
107.61622	0.9
128.03526	100.0
128.10793	11.3
129.03857	2.2
130.08722	95.2
131.09039	4.1
144.06680	2.0
146.04575	35.4
172.09779	3.0
209.11789	19.2
210.12047	1.3
294.17053	5.0
295.17371	1.1
320.14902	14.2
321.15338	1.2
338.15945	50.4
338.19714	42.0
339.16852	5.9
339.19470	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	338.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	2.4
59.01373	0.6
60.70784	0.2
68.49517	0.2
71.18468	0.4
78.53169	0.2
83.44516	0.2
96.95999	0.3
97.06581	0.4
102.05592	0.8
105.29633	0.2
114.35467	0.3
115.32226	0.2
115.65639	0.2
116.07143	0.3
128.03558	0.6
128.10800	12.1
129.11195	0.3
130.08723	100.0
131.09091	3.5
135.08119	0.4
146.04552	0.4
147.08165	0.4
172.09779	3.9
199.40919	0.3
320.15201	0.3
338.19678	48.2
339.19955	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60173	0.3
59.01374	0.5
59.97423	0.2
71.38077	0.5
75.31285	0.2
76.95277	0.2
81.03481	0.4
82.29409	0.2
85.02964	0.5
89.03965	1.8
95.04980	0.2
104.02679	0.5
105.03452	2.6
106.03796	0.3
119.05039	0.6
120.05398	0.3
126.99187	0.3
131.03496	0.5
133.02942	8.7
134.03256	0.2
143.74355	0.2
148.01639	0.7
149.02377	0.8
163.03986	0.6
164.04309	0.3
165.04350	0.5
165.05550	1.0
176.01109	1.3
177.01909	100.0
178.02254	5.6
193.03537	0.3
339.07138	12.8
340.07458	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	339.0717
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
58.60173	0.3
59.01374	0.5
59.97423	0.2
71.38077	0.5
75.31285	0.2
76.95277	0.2
81.03481	0.4
82.29409	0.2
85.02964	0.5
89.03965	1.8
95.04980	0.2
104.02679	0.5
105.03452	2.6
106.03796	0.3
119.05039	0.6
120.05398	0.3
126.99187	0.3
131.03496	0.5
133.02942	8.7
134.03256	0.2
143.74355	0.2
148.01639	0.7
149.02377	0.8
163.03986	0.6
164.04309	0.3
165.04350	0.5
165.05550	1.0
176.01109	1.3
177.01909	100.0
178.02254	5.6
193.03537	0.3
339.07138	12.8
340.07458	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	339.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19439	0.9
57.03431	2.9
58.02959	1.9
59.01372	45.3
59.71784	1.0
61.04023	1.1
67.01876	1.7
69.03441	1.4
71.01369	4.8
71.61462	2.0
72.90692	1.0
72.99311	1.9
73.02948	3.6
75.00855	7.6
83.01355	1.8
85.02934	5.7
87.00867	26.6
93.03434	5.2
95.01373	1.4
97.02908	1.3
99.00869	4.2
99.05276	1.1
101.02427	2.7
102.96038	1.1
106.04237	2.3
107.04950	1.4
111.00861	5.8
113.02439	11.6
119.04996	8.3
129.01920	1.3
131.03490	1.0
132.06644	4.4
135.04498	5.4
137.06064	100.0
138.06413	5.2
141.01927	3.9
145.02913	2.5
159.02965	5.1
159.28011	1.3
163.03967	5.1
173.04581	6.0
174.04839	3.3
175.05020	6.5
179.03450	3.8
191.05562	1.9
193.06055	4.0
201.03896	1.3
339.10751	1.3
340.17560	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.9
59.01373	51.5
69.72121	5.1
71.01371	4.4
73.02927	2.9
75.00866	7.6
83.01398	1.5
85.02949	4.7
87.00865	25.7
93.03447	1.5
95.01384	1.7
99.00871	4.2
101.02418	2.2
106.04207	3.5
111.00870	3.2
113.02429	13.6
119.05025	5.0
129.01924	1.5
135.04514	4.8
137.06070	100.0
138.06410	3.4
141.01912	4.4
143.03510	1.7
159.03020	5.5
161.02461	1.3
163.03864	1.1
164.10605	1.0
173.04526	1.9
175.04913	1.2
179.03453	3.9
191.05612	1.3
195.06480	1.3
201.34760	1.2
219.25703	1.0
220.94173	1.0
271.06830	1.2
309.14481	1.0
352.33478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
77.55351	0.5
87.47727	0.6
117.03481	0.6
145.02963	3.7
163.04021	1.3
173.51472	0.5
179.07077	1.3
179.08562	0.7
185.02577	0.7
191.08676	1.3
193.06494	0.8
197.09686	0.6
206.07205	0.6
207.08096	3.3
217.06534	2.0
218.07272	1.0
219.08038	3.0
220.05235	0.7
221.06004	2.1
223.07611	1.5
224.04738	0.7
224.08287	0.5
225.05415	0.9
225.09151	1.3
229.41544	0.5
233.06032	1.2
234.06831	1.2
235.07585	7.2
236.08200	0.7
237.05490	1.1
237.09201	2.2
239.07063	1.6
242.46863	0.6
245.06055	2.2
246.06767	1.5
247.03934	0.6
247.07614	2.1
248.04652	0.6
251.07083	1.9
252.07829	1.1
253.04950	0.8
253.08667	5.1
261.05408	0.7
262.06302	2.2
263.07092	18.4
264.07526	3.4
265.08676	1.7
268.11060	1.9
273.05618	0.7
274.06372	0.8
275.07086	1.6
276.07956	1.3
279.06674	0.7
280.07355	2.5
281.08139	28.2
282.08484	3.2
290.05746	1.1
291.06583	7.2
292.07181	3.3
293.08133	8.2
293.11240	0.5
294.08896	3.9
295.09641	1.6
296.10513	4.3
307.09717	4.0
308.07022	0.8
308.10431	7.0
309.07645	100.0
309.10852	4.4
310.07999	9.8
323.09164	17.2
324.09952	61.3
325.10352	6.6
339.12308	71.4
340.12659	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	339.1291
Annotation	Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside
Peak:m/z	Relative Intensity
59.01373	100.0
59.01672	5.3
61.98807	16.7
71.01375	45.6
71.60599	5.0
72.99304	6.0
73.02934	6.9
85.02968	14.7
87.00872	12.8
89.02440	36.3
98.57881	3.5
101.02440	47.7
103.04017	3.0
113.02416	17.4
119.03456	15.8
131.03488	7.4
139.42352	3.1
143.03435	5.3
159.28676	3.0
161.04543	21.4
172.16257	3.2
177.01866	7.1
179.05553	17.5
193.07106	4.1
207.08557	4.5
235.08200	6.8
279.03937	7.8
279.10809	11.9
283.76523	3.1
339.13004	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	339.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63768	0.3
57.03434	1.1
59.01373	2.8
60.99279	0.5
64.94066	0.3
65.66128	0.3
67.01881	4.5
69.03445	0.7
71.01371	3.1
81.03436	0.8
81.07086	1.4
83.05016	1.4
84.02180	0.4
85.02946	0.5
87.00887	0.5
93.03447	28.2
94.03765	0.9
99.00846	0.4
109.02922	0.8
111.00875	0.8
111.04510	4.1
113.02432	0.6
115.41695	0.3
121.10222	0.6
129.77222	0.3
132.00552	0.3
137.02420	5.2
152.93477	0.3
155.03491	4.7
165.09183	14.3
166.09552	1.0
173.04523	100.0
174.04854	4.3
220.56790	0.3
339.14453	4.9
339.18256	0.5
340.14764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
59.01373	100.0
60.01714	0.9
69.61079	3.3
71.01368	3.4
72.99337	0.5
73.02947	1.4
85.02951	3.0
85.93908	0.5
95.05028	0.6
99.00896	0.6
101.02415	3.5
105.03452	0.9
113.02480	1.4
119.05032	0.6
131.02638	0.4
131.03494	2.8
133.02916	2.4
149.02431	0.7
161.04524	2.2
165.05525	0.6
173.04509	0.4
176.01166	0.8
177.01909	19.4
178.02316	1.1
187.44698	0.5
193.03514	1.1
279.14490	10.1
280.14893	0.6
289.20966	0.5
339.07275	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1993
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
59.01361	0.5
62.59683	0.3
70.46758	0.9
79.95747	1.2
80.75018	0.3
82.90753	0.3
119.05016	1.3
125.03424	0.3
163.11259	2.1
170.00418	1.8
183.01192	56.1
184.01648	3.3
197.02769	1.6
197.78871	0.3
211.04305	0.3
216.00989	1.1
225.05922	0.9
239.07443	1.1
253.08893	0.5
278.02960	0.3
339.19925	100.0
340.20248	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	339.2324
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
57.08700	0.3
58.05058	0.3
59.22058	0.3
64.56027	0.3
65.54982	0.3
67.49969	0.3
69.56495	0.9
69.56908	1.1
163.11266	100.0
164.11595	6.8
339.23230	80.6
340.23569	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	339.2536
Annotation	Blepharizol A
Peak:m/z	Relative Intensity
59.01371	100.0
60.01711	0.9
64.20258	0.4
68.96953	0.5
71.61426	0.5
73.83618	0.4
83.52091	0.4
183.01167	1.0
268.07458	0.5
279.23257	6.1
280.23553	0.9
297.24307	42.0
298.24655	4.4
339.20090	1.5
339.25342	17.0
340.25797	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	340.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
59.93020	0.8
69.55180	5.5
81.03428	2.0
84.04535	2.4
88.01536	0.7
97.06580	1.2
98.06087	4.0
98.20576	1.8
100.04024	4.7
103.28877	0.7
109.06518	0.8
112.04037	9.5
142.05106	7.0
146.06413	3.7
148.04364	100.0
149.04648	3.4
165.12766	2.0
292.15625	1.9
340.15805	76.8
341.16214	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	340.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20842	0.4
56.99507	0.4
59.01371	3.0
71.01377	1.2
71.61585	0.6
72.73256	0.4
73.02948	0.7
94.84540	0.4
96.47015	0.4
101.02425	1.0
109.06616	0.4
113.02452	0.9
114.09222	2.0
116.07164	100.0
117.07495	2.4
119.03491	0.4
119.05005	1.1
137.02457	0.5
151.11224	0.9
161.02454	0.6
179.03481	0.6
179.10744	0.8
194.60066	0.4
214.23085	0.4
234.18626	1.3
260.16531	1.3
278.17587	3.9
281.10373	0.5
296.18631	17.6
297.18985	1.8
319.34845	0.4
322.16562	4.0
323.17093	0.5
340.17584	39.8
341.17932	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	340.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	2.1
59.01370	3.0
65.14723	0.3
71.01370	1.2
73.02915	0.6
76.75346	0.3
77.61530	0.3
85.02929	0.6
88.04039	1.2
89.02459	1.0
97.06606	0.5
101.02449	0.9
109.06599	0.5
113.02424	1.0
119.03513	0.4
119.05001	0.9
125.75592	0.3
125.77998	0.4
128.10802	10.4
130.08717	100.0
131.09053	4.2
132.06715	0.4
132.16687	0.3
161.02457	0.8
179.05627	0.6
179.10794	1.0
183.13881	0.6
185.11816	0.9
220.06245	0.3
281.10217	0.6
286.36469	0.4
325.10428	0.4
340.21207	49.7
341.10620	0.6
341.21606	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	341.0873
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01880	0.6
57.03431	0.8
58.00591	1.2
58.19822	0.6
59.01372	46.1
61.60649	0.6
66.81669	0.6
70.76918	1.6
71.01374	29.9
72.99297	1.4
73.02931	3.5
83.01367	1.3
85.02937	5.4
87.00867	1.5
89.02433	31.4
90.02771	0.9
95.01358	1.6
101.02427	14.4
113.02431	11.4
119.03495	11.4
119.04886	2.9
131.03494	2.0
132.02132	1.0
133.02939	27.2
134.03282	1.1
135.04510	9.1
143.03464	2.2
149.04538	1.0
161.02420	100.0
161.04576	3.3
162.02756	4.8
177.05579	0.7
179.03476	16.2
179.05585	11.5
180.03865	1.2
191.05533	0.7
197.04095	0.5
203.03468	2.5
221.04555	1.1
251.05608	0.9
281.06750	1.3
281.10226	1.4
341.08533	5.9
341.10901	8.8
342.11740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0873
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01373	7.8
61.60221	0.4
61.74691	0.4
69.67403	3.1
71.01381	4.2
75.00853	0.7
85.02956	0.9
89.02455	2.8
92.73361	0.5
93.03430	1.8
97.88270	0.5
98.19891	1.0
101.02438	1.4
104.55244	0.5
106.42535	0.4
111.04543	0.5
113.02438	0.8
117.03499	0.7
118.09900	0.5
119.03497	0.7
119.04981	0.6
123.04522	0.8
132.02161	0.9
133.02945	26.6
134.03754	7.1
135.04512	14.0
137.02423	0.5
149.06024	0.7
150.23105	0.5
161.02428	100.0
162.02777	6.4
167.03520	0.9
167.91040	0.5
169.38931	0.5
173.04553	5.0
175.03990	0.7
177.01906	2.6
177.05594	2.0
178.02312	1.0
179.03522	19.4
179.05562	1.3
179.07002	0.6
180.03770	0.7
191.05664	0.8
193.05035	8.4
194.05489	0.8
203.03459	3.0
221.04492	2.0
251.05591	1.8
281.06558	2.3
341.08667	14.0
342.08939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55341	0.5
59.01372	1.4
60.60064	0.5
69.89931	0.9
69.90323	1.5
71.01381	2.0
73.02943	3.8
83.79102	0.5
87.00851	2.3
89.03947	2.6
94.87432	0.5
98.19799	0.6
103.04015	0.5
105.01945	0.7
106.15546	0.5
117.03446	9.5
134.03722	100.0
135.03992	4.2
137.02448	0.7
139.09837	0.5
147.02998	0.8
149.06050	7.0
150.06346	0.7
165.04004	2.0
165.27422	0.5
178.02701	4.1
179.03632	0.6
193.05020	100.0
194.05370	7.0
341.08908	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	341.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
71.01388	4.4
71.16531	0.9
71.16876	1.2
75.00880	1.0
81.08229	0.7
85.02949	0.9
87.50386	0.8
89.02433	0.7
89.03957	2.5
90.58902	0.8
99.00881	3.4
101.02412	1.8
104.04816	0.7
106.21233	0.7
117.03446	10.6
129.01923	1.4
133.02965	1.3
134.03726	95.6
135.04045	4.6
137.02408	1.3
147.02983	8.7
147.04213	1.2
147.04456	1.1
149.02365	1.7
149.06055	8.8
165.04024	2.5
178.02710	5.2
193.05029	100.0
194.05412	6.3
253.08543	1.1
341.08545	3.4
355.69574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15709	0.7
53.39778	0.7
55.01855	0.8
69.68156	4.6
71.01380	3.6
89.02417	1.1
89.03970	2.2
99.00891	5.4
101.02426	2.4
117.03450	9.3
133.50763	0.8
134.03728	92.9
135.04027	3.6
137.02478	1.0
147.02998	8.8
149.06065	8.0
165.04039	2.5
178.02655	6.4
179.07138	0.9
193.05037	100.0
194.05360	8.3
341.08688	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	341.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03437	2.5
58.00594	3.4
59.01373	100.0
60.01709	1.4
70.71172	1.3
70.71533	0.6
71.01376	69.6
72.01714	1.4
72.99295	3.1
73.02935	2.0
75.00856	1.1
83.01388	2.1
85.02946	10.3
87.00877	4.9
89.02435	83.3
90.02759	1.2
95.01385	3.9
97.02937	0.7
99.00875	0.5
101.02434	31.1
102.02799	0.8
104.92259	0.5
113.02440	26.2
114.02773	0.6
115.03978	0.5
119.03488	30.3
120.03815	0.9
125.02446	0.8
131.03502	3.8
137.22536	0.5
143.03499	8.0
149.04553	2.1
156.60033	0.5
161.04538	9.8
179.05592	30.6
180.05942	1.5
202.45981	0.5
217.72321	0.6
310.31714	0.6
322.33594	0.5
341.10843	47.0
342.11304	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	341.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30066	0.8
55.01875	1.6
57.03429	1.7
58.00583	3.4
59.01373	86.6
60.01704	1.7
60.43674	0.8
69.34312	6.6
69.34689	1.3
71.01373	56.2
72.99294	3.2
73.02934	1.9
75.11581	0.8
83.01353	1.1
85.02942	7.9
87.00869	2.9
89.02433	64.5
90.02755	0.8
93.55302	0.8
95.01376	2.6
98.19839	1.5
101.02431	26.9
102.02786	1.0
105.17147	0.7
113.02431	20.7
119.03491	22.2
119.04881	1.0
124.86217	0.7
131.03488	3.4
133.02942	27.2
134.03246	0.8
135.04515	9.3
143.03485	6.2
149.04526	2.6
150.70277	0.9
159.02975	0.9
161.02425	100.0
161.04358	7.3
162.02765	4.7
179.03470	18.7
179.05577	30.4
180.03853	1.2
191.05550	1.2
203.03468	2.3
210.57993	0.8
255.91704	0.8
281.06479	1.3
341.11209	35.5
342.11148	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	341.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34178	0.9
53.04543	1.0
57.03418	1.1
58.00579	2.0
59.01373	57.7
70.44100	2.7
70.44453	0.9
71.01374	41.8
71.05009	0.9
72.99310	5.5
73.02918	3.1
75.00865	46.7
81.03455	2.2
83.01374	2.3
85.02930	8.9
87.00867	8.5
89.02431	45.8
90.76191	0.8
95.01373	2.5
96.68964	0.9
96.96025	1.6
99.00854	2.1
99.04465	1.3
101.02438	21.1
113.02430	17.5
119.03485	15.9
123.04505	1.7
125.02428	2.2
131.03508	2.9
133.64633	0.9
135.04520	5.7
143.03513	8.1
145.05080	1.3
149.04547	5.6
159.51009	0.9
161.02470	1.0
161.04515	11.5
167.03479	4.2
173.04514	0.9
179.05571	21.4
180.05826	1.0
191.05655	2.1
193.04959	1.1
237.06104	3.4
323.09653	1.3
341.10837	100.0
342.11249	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	341.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.5
65.03947	0.5
65.64517	0.6
68.10702	0.5
70.13948	2.3
71.01374	17.5
73.02932	1.6
81.95898	0.7
85.02932	0.6
87.51211	0.6
89.02436	1.5
94.53695	0.6
95.04989	1.4
101.02470	1.1
113.02424	1.3
115.00362	13.5
119.04979	1.8
127.33463	0.6
133.01410	1.9
135.02988	1.4
145.45323	0.6
161.02452	1.4
163.11290	2.2
181.12314	15.2
182.12665	1.1
202.45570	0.6
225.11282	100.0
226.11618	8.2
321.17484	0.6
331.72412	0.6
341.12027	0.8
341.19653	0.9
357.75922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
56.60410	0.6
57.03449	1.7
59.01373	100.0
60.01703	2.2
61.83308	0.6
69.73686	3.5
71.01375	45.2
72.01732	0.8
72.99310	1.7
73.02939	43.2
74.18936	0.7
83.01365	9.6
85.02948	11.5
87.00883	1.9
89.02435	20.9
95.01395	2.9
98.20712	0.9
99.00859	1.4
101.02433	30.6
102.02760	0.8
113.02439	22.7
114.02772	1.3
116.82354	0.7
119.03651	5.2
119.05007	44.0
120.05359	2.1
125.02430	0.8
131.03499	2.0
133.02953	6.6
135.04526	4.7
137.06091	2.4
143.03517	2.4
149.04568	1.3
155.03516	0.9
161.02428	29.3
161.04437	5.3
162.02792	2.2
166.44930	0.7
179.03464	7.6
179.05653	1.3
179.07071	1.2
210.06111	0.7
281.07233	0.7
281.10278	16.5
281.62900	0.8
282.10538	1.8
299.11197	5.8
339.78214	0.8
341.08667	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	341.1237
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
55.01849	1.6
57.03443	3.4
58.00584	1.5
59.01373	100.0
71.01373	54.4
71.61317	1.4
72.01708	1.1
72.99299	2.6
73.02943	29.9
75.00870	8.4
75.02967	0.8
83.01375	8.9
85.02945	16.7
85.54249	0.8
87.00876	3.9
89.02438	31.8
89.02991	1.9
95.01400	3.5
95.05061	1.3
97.02929	1.6
99.00872	3.6
101.02436	31.9
113.02438	31.5
119.03535	8.9
119.05010	39.2
119.33486	0.9
120.05354	2.8
125.02453	1.9
129.57361	1.1
131.03477	2.6
133.02934	4.4
134.03743	8.0
135.04500	3.9
137.06108	3.0
143.03502	3.7
149.02521	1.6
149.04585	1.8
149.06104	1.2
161.02443	16.3
161.04495	7.0
161.09686	4.4
162.02820	1.0
165.04021	5.0
179.03465	3.8
179.05585	21.5
179.10735	8.8
193.05020	8.2
193.08853	0.9
281.10266	21.1
282.10767	1.5
299.11246	5.6
341.11496	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	341.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01373	3.6
59.98514	0.3
60.99286	0.7
67.01884	4.7
69.03443	1.0
69.66174	0.5
69.66585	1.2
71.01366	3.7
81.03454	1.1
83.01387	0.3
83.05022	1.1
85.02942	0.7
87.00861	0.5
88.58621	0.3
89.02434	1.1
93.03447	27.5
94.03779	1.0
99.00879	0.4
99.04478	0.7
109.02950	0.9
111.00864	0.9
111.04504	5.2
113.02431	0.8
119.04987	0.6
127.03978	0.6
137.02426	5.7
155.03488	5.2
161.02364	0.4
161.04634	0.4
166.51828	0.2
167.10744	21.1
168.11133	1.5
173.04520	100.0
174.04865	4.6
191.05756	0.3
251.87755	0.3
281.10175	0.3
287.24133	0.3
329.96512	0.3
341.11313	0.4
341.15955	6.4
341.19592	0.5
342.16455	0.8
348.07584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02588	0.2
56.92695	0.2
57.03449	0.9
58.00586	0.3
59.01371	5.3
59.24393	0.2
59.98509	0.3
60.01703	0.2
60.99300	0.6
61.98827	0.2
63.97295	0.2
64.34060	0.2
67.01882	4.9
67.39719	0.2
69.03446	1.0
69.58861	0.9
71.01372	5.8
71.04993	0.2
72.99298	0.4
73.02932	1.0
74.24775	0.2
75.00863	0.2
81.03437	1.0
83.01401	0.5
83.05018	1.1
85.02935	1.3
86.96194	0.2
87.00864	0.7
89.02431	1.9
93.03444	30.3
94.03775	1.0
95.01387	0.4
97.02953	0.3
98.19897	0.2
99.00867	0.2
99.04527	0.7
101.02429	1.4
109.02931	1.0
111.00849	1.0
111.04504	5.2
112.04847	0.2
113.02438	1.3
119.03499	0.6
119.04993	1.1
126.75179	0.2
127.03999	0.5
133.02922	0.3
135.04556	0.3
137.02426	5.9
138.02744	0.4
143.03450	0.2
155.03476	5.0
161.02415	1.2
161.04495	0.5
167.10750	20.1
168.11134	1.3
169.28732	0.2
173.04518	100.0
174.04863	4.5
179.05576	0.5
179.10834	0.4
191.05615	0.3
197.11842	0.3
203.05299	0.2
281.10242	0.5
288.55319	0.2
299.11569	0.2
341.11349	0.5
341.15958	7.4
341.19617	0.6
342.16318	0.8
352.43430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01369	5.0
67.01862	0.5
69.03429	2.0
69.59167	3.6
71.01381	2.5
81.23431	0.6
83.05001	1.0
84.02156	6.8
89.02428	2.6
93.03452	0.7
95.01389	0.7
95.05006	0.9
97.02929	2.2
97.06575	8.0
99.04491	2.6
101.02422	1.2
109.42459	0.6
113.02428	0.8
119.03484	0.6
119.05010	0.8
119.08615	1.2
121.02927	3.2
125.09668	1.3
130.26205	0.6
134.03664	0.7
137.06053	0.8
137.09679	1.2
161.02441	1.4
162.03197	2.1
165.12822	0.8
171.10243	24.3
172.10551	1.3
175.03993	4.0
175.11316	0.7
177.04037	1.1
177.05544	19.3
177.12892	0.5
178.05864	0.8
179.05728	0.6
183.13814	0.9
184.19080	0.7
193.12294	11.4
194.12685	1.0
203.03377	1.0
203.10881	0.6
211.13358	2.6
221.04497	12.0
221.11656	0.8
222.04948	1.0
223.16957	0.6
225.14909	16.0
226.15263	1.0
229.23750	0.5
243.15939	6.2
253.14354	1.2
255.74733	0.5
291.19611	1.9
291.22562	0.5
323.21753	0.6
341.10281	12.8
341.23264	100.0
342.10443	1.7
342.23587	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	341.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57540	0.6
58.93024	0.7
59.01371	21.0
62.94770	0.7
69.03440	2.0
71.01369	13.6
71.16097	1.3
72.99268	0.6
73.02936	4.0
73.85473	0.7
76.54688	0.7
83.01375	1.3
83.05025	2.0
84.02173	2.2
85.02950	3.4
87.00824	0.7
89.02432	9.1
95.01339	1.3
95.05035	1.2
97.02955	1.1
97.06571	10.3
101.02426	5.7
113.02431	5.8
116.08279	0.8
119.03483	2.8
119.05021	5.5
125.09693	1.5
133.02937	2.2
135.04507	1.2
143.03474	0.8
149.13318	1.1
151.11165	0.8
161.02422	7.1
161.04553	1.9
162.02693	0.9
171.10233	9.7
175.11380	1.1
179.03468	1.0
179.05580	2.0
179.10826	0.7
183.13783	1.4
185.11821	1.5
193.12294	13.7
194.12669	1.0
211.13367	4.6
221.04588	1.1
223.16905	2.4
224.77957	0.7
225.14929	24.0
226.15257	2.6
243.15955	7.9
253.14412	1.0
278.62430	0.7
281.10172	1.4
285.20703	3.3
291.19586	1.0
305.21399	0.8
311.86957	0.8
341.11276	4.1
341.23273	100.0
342.23593	12.0
355.80829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2693
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
59.01365	6.8
59.27181	0.7
60.54694	0.8
61.98836	0.8
70.09180	3.4
71.01376	4.2
73.02950	1.5
80.99083	0.7
81.32767	0.7
85.02952	1.9
89.02421	2.8
97.38835	0.7
97.61557	0.7
101.02450	1.7
119.03523	1.2
119.05032	1.7
133.02985	0.8
161.02415	2.8
191.88383	0.9
199.82756	0.8
279.26889	63.5
280.27228	7.0
281.10162	0.9
297.28006	1.7
323.25888	20.0
324.26178	1.9
341.26910	100.0
342.27219	12.3
347.96634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3055
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
59.01363	2.8
60.26182	0.7
71.01373	1.3
71.05013	21.6
71.31808	1.6
73.02957	1.0
78.61959	0.7
80.41869	0.7
83.05010	2.1
89.02423	1.2
100.73902	0.7
161.02400	1.2
199.00505	0.8
216.98711	0.8
267.27008	3.5
281.28448	26.0
282.28769	3.5
305.28339	1.1
323.29507	13.5
324.29688	1.8
341.19839	3.1
341.30539	100.0
342.30881	13.7
342.69489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06394	0.6
59.01373	100.0
59.46482	0.5
60.01707	1.5
66.68537	0.6
71.01381	1.9
71.61709	1.2
73.02946	1.1
92.05035	0.9
95.05027	0.7
101.02447	1.0
106.04231	1.8
107.05043	1.2
119.05018	3.3
135.04480	0.8
137.06068	45.3
138.06430	1.8
146.06061	1.0
148.07652	8.0
150.05618	2.2
163.79941	0.6
171.10268	1.3
172.10594	0.7
173.04587	0.8
177.05588	1.2
222.07703	6.4
342.23779	0.6
343.11929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14436	0.3
59.01371	85.4
59.96187	0.3
60.01712	0.5
61.98820	0.8
68.35343	0.3
70.26786	0.9
78.85949	0.3
85.84579	0.3
94.34121	0.3
113.04588	0.4
115.02474	0.4
117.00518	0.4
119.09353	0.3
121.02933	0.4
136.94005	0.5
157.03540	6.9
158.03671	0.6
159.01466	3.3
178.95003	2.2
178.97800	0.8
201.02518	100.0
202.02693	10.7
260.95334	1.0
343.03589	3.9
344.03943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1029
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
53.30552	0.6
59.01369	14.7
61.98825	1.3
63.54047	0.7
71.01373	14.7
73.02927	3.6
73.85149	0.8
75.76716	0.7
83.01363	1.1
85.02943	2.9
89.02427	8.9
93.03458	1.6
100.12125	0.7
101.02423	13.5
107.05016	1.9
109.02940	3.8
113.02428	2.2
117.03422	1.7
119.03455	2.0
121.02920	3.5
123.04512	1.1
131.03481	0.8
132.02084	0.8
133.02942	24.3
134.03804	5.6
135.04506	100.0
136.04857	5.1
137.02444	5.2
137.05067	0.7
137.06055	1.5
138.03178	1.5
139.49146	0.7
149.02417	1.4
151.00362	0.8
151.03993	1.9
161.02412	95.2
162.02783	5.8
163.04039	1.1
163.06075	4.0
164.03384	0.9
165.01915	6.5
166.02684	3.6
173.04518	1.0
177.01816	1.4
177.04031	0.7
179.03470	81.1
180.03818	5.3
181.05034	13.7
181.07143	13.6
181.08546	0.9
182.05437	1.1
191.05435	0.7
195.05417	0.9
253.07074	1.0
298.47552	0.7
307.08319	1.0
313.00220	0.9
343.10260	66.2
344.10617	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	343.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03432	1.5
59.01374	12.3
71.01373	11.8
71.37894	1.3
73.02943	3.0
83.01402	1.3
85.02944	2.7
86.27361	0.9
89.02431	10.0
101.02436	10.8
107.05072	1.0
108.23034	0.8
109.02969	1.5
113.02410	1.7
117.03411	1.6
119.03516	1.9
121.02972	1.4
133.02948	22.9
134.03793	5.3
135.04510	100.0
136.04819	4.6
137.02415	2.7
137.06018	1.3
145.51472	1.0
161.02426	90.2
162.02744	4.5
163.06044	4.4
165.01901	2.8
166.02682	2.3
173.04532	1.0
179.03477	81.3
180.03882	4.9
181.05153	7.0
181.07150	14.8
181.08617	2.0
291.21747	0.9
334.26041	1.2
343.10266	65.9
344.10550	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	343.103
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01375	6.2
61.98832	1.5
63.00443	0.4
65.71747	0.6
69.30721	1.6
69.31145	2.7
71.01374	4.4
72.99301	10.9
75.00887	1.9
76.80988	0.5
79.82121	0.6
81.03455	0.9
85.02953	1.5
87.00889	0.8
89.02443	3.4
89.58698	0.5
93.03440	12.9
93.03992	0.9
96.43723	0.5
96.96023	1.3
97.72290	0.6
101.02431	2.3
103.30085	0.4
107.05000	2.5
109.02911	0.8
113.02464	1.0
119.03600	1.0
119.05009	28.2
120.05388	1.1
121.02956	2.2
122.87009	0.5
123.04506	0.8
127.74264	0.5
132.52692	0.6
132.70367	0.5
133.02948	1.5
133.48360	0.5
134.03761	1.9
135.04514	24.6
136.04826	0.5
137.06067	0.7
147.04500	0.6
149.02425	0.7
151.03986	1.4
161.02446	3.4
163.03989	33.8
164.04353	1.6
164.07175	1.1
165.01952	0.7
179.03514	2.9
179.05574	1.2
181.05038	100.0
182.05357	5.0
186.12521	0.5
223.05995	0.7
313.09091	1.3
343.10220	46.3
344.10590	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	343.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30104	1.2
54.00505	1.1
59.01375	5.6
61.69901	1.3
69.15185	1.3
69.57654	8.5
71.01385	6.2
73.02925	1.8
78.35431	1.4
81.03858	1.3
88.04024	7.4
96.34072	1.3
98.20601	2.4
115.00364	9.6
132.02966	3.5
141.06720	3.1
163.11256	2.7
171.10271	1.7
178.03375	1.2
181.12311	15.8
183.15010	2.0
184.13387	2.3
200.36488	1.5
210.11388	2.3
218.94272	1.3
225.11299	100.0
226.11632	7.5
227.13922	12.1
228.12364	2.4
299.16019	2.0
343.14551	24.2
343.21045	12.2
344.14896	4.2
344.21533	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	343.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48586	11.6
56.90154	11.8
59.01374	100.0
59.82329	9.3
62.00486	9.8
69.37860	84.8
71.01382	12.7
81.03436	12.3
113.02400	11.5
121.75624	11.3
122.03481	10.5
126.83147	9.3
184.11852	9.5
184.57057	9.8
197.49826	9.7
210.97180	11.0
291.81812	12.2
297.97430	14.8
312.99866	22.3
328.02246	15.6
343.04492	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	343.2121
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
52.57437	0.5
57.03440	4.0
59.01373	1.9
59.18787	0.4
65.53233	0.4
70.36528	1.4
83.05029	0.7
95.05044	1.5
97.06575	14.5
106.51118	0.5
111.36691	0.5
123.08152	5.9
125.09713	87.4
126.10030	4.0
127.11282	1.9
139.11198	0.6
143.10794	1.8
155.10768	1.5
159.10202	0.5
169.08641	1.4
171.10393	0.6
173.11804	33.2
174.12155	2.1
187.09731	15.0
188.10197	0.7
201.02510	0.8
253.75789	0.5
281.21155	5.0
282.21524	0.5
325.20132	7.8
326.20493	1.0
343.21201	100.0
344.21570	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	343.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60310	2.9
54.53954	3.7
55.41242	4.1
55.83939	2.9
57.69260	3.4
59.01371	32.7
69.04891	3.1
71.01354	3.2
71.61505	4.0
71.61888	4.0
71.64160	2.8
74.25737	3.1
83.01398	3.3
94.56894	3.8
121.02938	4.4
121.10197	8.2
124.16599	3.9
125.09689	3.3
137.09808	5.0
139.11357	3.7
171.10257	63.2
172.10597	3.5
176.76512	3.5
187.67862	3.3
201.02567	8.2
227.20726	4.2
273.15726	3.6
328.02084	7.5
343.20868	8.0
343.24808	100.0
344.25238	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	343.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60310	2.9
54.53954	3.7
55.41242	4.1
55.83939	2.9
57.69260	3.4
59.01371	32.7
69.04891	3.1
71.01354	3.2
71.61505	4.0
71.61888	4.0
71.64160	2.8
74.25737	3.1
83.01398	3.3
94.56894	3.8
121.02938	4.4
121.10197	8.2
124.16599	3.9
125.09689	3.3
137.09808	5.0
139.11357	3.7
171.10257	63.2
172.10597	3.5
176.76512	3.5
187.67862	3.3
201.02567	8.2
227.20726	4.2
273.15726	3.6
328.02084	7.5
343.20868	8.0
343.24808	100.0
344.25238	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	343.2485
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
54.39979	1.7
59.01383	14.4
60.02928	1.8
62.00694	1.4
67.79300	1.3
71.31155	1.4
71.62346	2.2
73.99141	1.4
74.01463	1.3
75.01102	1.3
83.05032	1.8
85.39563	1.2
97.13216	1.4
99.08134	5.8
101.11327	1.7
121.02965	1.5
121.10229	4.0
125.09737	2.0
137.09756	1.7
148.11583	1.6
171.10248	31.7
193.12318	9.6
201.02534	4.2
211.13364	2.7
219.61397	1.5
225.14934	16.6
243.16035	4.8
279.33862	1.4
293.21024	1.6
299.04865	1.6
313.00012	3.2
328.01993	1.7
343.24832	100.0
344.16260	1.6
344.25198	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	344.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.2
61.98824	100.0
70.51440	3.4
75.98637	1.0
82.23030	0.9
87.45029	0.9
121.02928	1.3
174.01686	5.3
215.90045	0.9
225.07516	1.0
245.16818	1.0
251.83910	1.1
344.15143	1.2
345.22726	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	345.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09562	1.2
51.73240	1.1
55.01847	1.7
56.44241	1.2
57.03437	1.6
58.00580	4.6
58.51114	1.4
59.01371	100.0
60.01691	1.8
71.01373	54.2
71.60105	1.8
72.99310	3.1
73.02950	1.4
78.95901	10.5
83.01397	1.8
85.02936	10.5
87.00850	2.4
89.02435	56.1
92.91325	1.6
93.03437	3.9
95.01373	4.2
95.79174	1.4
96.96947	2.2
101.02430	39.6
110.02467	5.2
111.01991	1.9
113.02429	21.0
114.02920	1.3
119.03479	27.6
121.02932	17.2
121.49625	1.3
134.04698	1.8
143.03465	2.8
151.03981	2.8
153.39508	1.6
165.01904	21.3
179.05550	1.6
183.10710	1.4
200.05647	2.2
201.02495	2.9
243.06134	12.9
280.51950	1.5
285.03064	1.5
290.84354	1.6
328.31241	1.5
345.08228	11.8
346.05475	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	345.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
59.01370	4.7
67.01894	0.9
67.61231	0.8
69.36288	2.0
69.36696	6.2
71.01380	3.9
72.99297	2.7
73.02962	2.9
82.02981	4.0
85.02937	1.2
89.02441	2.1
93.03429	5.1
98.19892	1.4
99.04507	2.4
101.02441	1.0
108.04555	1.7
110.02469	2.5
111.04561	1.3
118.95467	0.8
119.03501	1.1
121.05292	1.2
122.06124	5.9
132.04489	1.9
134.06085	4.0
135.04517	1.6
135.99619	0.9
136.04004	1.4
137.02460	1.6
137.04817	1.3
147.03119	0.8
148.04028	1.1
150.05597	17.9
153.09218	5.0
160.04008	6.8
161.04662	1.9
163.57930	0.9
164.03520	2.3
171.06683	1.2
171.10292	3.9
173.04529	22.1
176.03525	5.7
177.04330	1.5
178.05093	4.0
179.03497	1.1
183.10281	1.4
186.05629	1.5
189.04399	1.5
193.03862	1.2
197.08350	3.5
202.44891	0.8
209.03026	1.0
210.05559	4.1
211.06418	2.6
212.07164	1.3
212.10774	1.1
214.05144	2.0
221.09775	2.7
224.07138	2.1
225.06731	2.8
227.06148	1.0
227.08264	2.5
227.12025	1.0
228.06596	1.5
229.07489	1.9
237.09341	1.0
238.08730	1.4
239.08250	3.0
240.10306	33.5
241.10291	5.3
243.11290	1.5
253.06140	9.2
253.09966	1.3
254.06976	5.1
255.05290	1.4
255.07646	3.1
255.11362	3.4
258.11343	3.9
267.07672	3.8
268.08527	6.7
269.06830	1.0
273.08743	1.2
283.10834	100.0
284.11581	8.4
301.11896	12.0
302.12219	1.6
309.08542	1.1
327.09796	37.5
328.09924	5.2
345.10916	63.0
345.15497	6.9
346.11246	7.7
346.15305	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	345.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52095	0.4
56.57821	0.5
57.03437	1.3
59.01378	4.4
61.01793	0.6
67.01877	5.0
69.03449	1.2
70.39439	1.7
71.01379	4.0
73.02929	0.5
81.03432	1.5
82.70789	0.6
85.02960	0.8
93.03447	26.1
94.03793	0.8
97.78429	0.5
109.02940	1.3
109.06571	1.4
111.00862	1.3
111.04524	4.9
118.80956	0.5
127.07636	30.9
127.88400	0.6
127.91537	0.5
128.07941	0.9
137.02444	5.0
138.95825	0.5
155.03476	3.8
171.06599	17.3
172.06953	1.4
173.04523	100.0
174.04893	4.2
191.05632	3.5
202.02470	0.6
226.96045	0.5
345.11807	13.3
346.12262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1186
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
56.98970	1.2
59.01371	35.1
61.76492	1.3
61.98809	2.4
67.05499	1.3
70.05475	6.4
71.01378	16.0
85.02943	3.6
89.02431	11.2
93.03460	2.3
93.07083	1.9
97.02853	1.2
98.20522	1.7
98.62573	1.2
101.02428	10.0
105.95000	1.3
106.04198	4.0
109.02923	2.0
113.02396	7.5
119.03492	3.4
119.05022	2.1
119.08640	2.6
120.99641	6.1
121.06566	22.8
127.00356	11.6
135.04546	1.7
139.07634	100.0
140.07959	4.7
147.04526	1.6
150.31415	1.2
163.07613	7.3
165.05504	8.3
171.10129	1.6
173.04544	3.2
179.05562	2.7
183.06590	47.4
184.06810	3.7
203.12767	1.5
207.06633	1.8
225.07751	1.4
233.78151	1.6
345.05878	1.5
345.11859	3.0
345.15494	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.7
60.85809	0.8
62.25031	0.9
69.70974	1.5
69.71369	4.8
71.01379	3.3
73.02937	7.5
85.02914	1.8
87.00885	3.7
89.02441	1.1
93.03448	3.2
99.04520	1.3
101.02434	2.0
111.04473	1.1
119.03496	1.1
120.99617	3.2
123.04527	1.1
135.08153	3.4
147.02982	3.2
153.09196	100.0
154.09535	5.2
165.09215	1.4
171.10286	2.0
173.04541	13.3
179.07033	1.0
183.10196	4.2
197.08167	92.6
198.08531	5.4
245.85855	0.9
345.11819	29.0
345.15561	6.0
346.12192	4.0
346.16028	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1185
Annotation	Nordercitin
Peak:m/z	Relative Intensity
59.01380	5.0
66.14315	0.7
71.01379	5.6
71.62218	0.9
72.99310	1.4
73.02940	5.0
77.51716	0.8
83.54214	0.7
85.02964	2.0
87.00846	1.5
89.02457	2.4
93.03461	4.1
99.00871	5.4
101.02457	3.7
111.04487	1.1
119.03558	0.9
120.99620	1.0
123.04538	1.4
129.01913	1.3
135.08136	2.1
147.02972	7.1
153.09201	100.0
154.09554	5.4
161.02423	0.8
165.04024	0.8
173.04469	4.3
183.10248	2.5
197.08162	80.6
198.08609	3.6
201.14061	0.7
213.11488	0.9
236.07823	0.8
239.90123	0.9
241.05142	1.0
283.10938	1.6
327.09485	1.1
345.11908	31.8
345.15610	4.6
346.12271	3.2
346.16168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33325	0.3
56.88665	0.3
57.03441	1.0
59.01373	3.0
67.01882	4.5
69.03437	1.0
71.01369	4.4
71.05019	0.5
71.62437	0.6
72.99290	4.3
73.02940	1.1
75.00866	1.7
81.03452	2.1
83.05021	1.3
83.34599	0.4
85.02949	1.1
87.00859	2.4
89.02447	0.5
93.03446	27.0
94.03801	1.0
95.01405	0.4
99.04501	2.0
101.02444	0.7
109.02950	1.0
111.00852	1.0
111.03775	0.5
111.04498	4.7
113.02410	0.7
121.02984	0.9
137.02438	4.4
139.11259	0.8
153.09195	5.3
154.09467	0.5
155.03494	4.7
161.04552	2.8
165.05534	0.6
171.10254	16.2
172.10588	0.8
173.04521	100.0
174.04843	4.3
183.10240	5.9
184.10472	0.5
191.05618	0.3
197.08153	5.3
209.09685	1.0
221.09673	3.8
225.09116	0.4
237.09132	0.9
240.10155	0.6
245.77921	0.4
248.52275	0.4
265.08661	1.2
281.08011	0.5
283.10840	1.2
309.07562	0.8
327.08691	3.5
328.09143	0.7
345.09915	5.4
345.15494	16.8
346.10150	0.9
346.15637	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	345.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01363	6.2
60.78526	0.7
67.01876	5.8
68.99795	0.9
69.03446	1.3
69.23306	6.6
71.01376	7.4
71.06024	0.7
73.02940	4.3
75.00854	2.0
76.23743	0.8
81.03416	1.2
83.01392	1.1
83.05001	1.5
85.02921	1.5
86.48544	0.8
87.00849	3.4
93.03442	20.4
99.00862	1.7
101.02435	6.6
109.02990	0.8
110.07230	1.2
111.00871	3.6
111.04503	4.6
111.08134	3.5
113.02457	1.9
119.04985	1.2
123.20029	0.8
126.51001	0.7
127.11271	0.9
129.01903	4.0
137.02431	4.1
137.59192	0.7
140.41895	0.7
153.09219	7.5
154.06180	2.7
155.03461	4.4
159.02960	11.0
161.04593	0.9
163.03955	1.5
171.10246	20.5
172.10570	1.6
173.04515	100.0
174.04906	4.0
183.10185	1.4
197.08128	2.1
345.15503	13.0
346.17053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25058	2.1
58.00576	3.9
59.01371	100.0
59.13314	2.1
60.44331	1.9
70.05878	10.3
70.17088	2.2
70.54339	1.9
71.01372	65.1
72.01658	2.2
72.70081	1.9
72.99280	5.9
73.02931	2.3
74.90768	1.7
79.01829	2.1
85.02924	9.4
87.00856	4.5
89.02431	74.8
95.01380	3.2
101.02440	33.9
102.02698	2.3
103.25871	2.4
113.02422	25.5
119.03490	25.7
131.03465	3.0
149.04547	2.4
161.04494	4.4
165.09145	5.1
173.04436	2.7
179.05519	4.0
207.50110	2.1
237.73431	2.1
345.15353	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	345.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.2
66.96373	0.8
71.62827	0.8
75.03950	0.7
80.86815	0.7
85.02944	9.1
123.04513	1.6
125.09718	1.0
147.75902	0.8
153.09190	92.0
154.09561	5.0
183.10168	1.3
197.08160	100.0
198.08513	6.0
316.45776	0.7
328.29593	0.9
345.11523	1.5
345.15475	16.6
346.15823	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.3
59.01371	14.7
59.31670	1.5
62.25544	1.6
69.03458	15.2
70.45620	5.0
71.01366	9.4
71.05009	5.8
72.99304	10.9
73.02927	12.1
75.00867	24.2
81.03450	9.2
85.02937	1.6
87.00848	2.7
97.02931	2.1
99.00890	4.3
99.04520	12.8
109.02950	2.0
111.08154	3.2
120.99641	11.0
121.02911	4.4
123.04492	3.7
139.11270	18.5
143.03482	10.7
147.04420	2.3
149.02393	5.4
161.02350	1.8
161.04550	38.3
179.05602	3.4
183.10237	100.0
184.10587	6.2
189.51096	1.6
197.09785	1.8
299.31625	2.0
301.10703	2.2
314.97369	1.6
321.48099	1.6
334.12436	1.6
345.09320	3.0
345.15463	77.6
345.76627	1.6
346.15790	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	345.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03440	1.2
59.01091	1.5
59.01371	24.5
65.41018	0.8
69.03428	1.5
71.01376	17.9
71.04991	2.1
72.99295	8.0
73.02932	6.3
73.26546	0.7
75.00859	14.4
79.52966	0.8
80.32109	0.7
80.81011	0.7
81.03444	3.6
81.28550	0.8
83.01369	1.3
84.02111	0.9
85.02937	3.4
87.04500	1.5
89.02428	9.8
93.03444	1.0
93.54681	0.8
95.01390	1.0
97.02908	0.8
98.20640	1.9
99.00890	1.5
99.04501	7.1
101.02446	6.0
113.02465	5.3
119.03495	3.0
120.99589	0.9
121.02965	1.0
121.10205	7.9
139.11285	1.7
143.03464	5.2
147.04451	1.0
149.02359	1.1
153.09157	1.4
161.04530	18.3
165.09171	2.7
179.05605	1.1
183.10237	100.0
184.10579	5.7
214.65675	0.8
345.15466	76.7
346.15802	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	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	58.2
61.98832	27.3
71.62335	20.1
88.49334	12.8
108.51719	13.2
112.72066	14.4
121.02926	39.6
123.04517	100.0
151.72769	13.8
171.10365	13.9
186.95509	18.1
211.13455	26.5
248.95985	24.4
251.16388	15.2
253.43105	14.6
290.97073	79.9
291.19534	28.5
299.11087	16.3
309.20590	93.7
345.24741	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	345.2276
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03434	1.3
59.01368	2.2
62.18414	0.5
62.73329	0.5
69.49669	2.1
69.50090	1.7
71.05011	0.7
93.03446	8.6
96.30021	0.5
97.06591	0.8
105.77137	0.6
111.08143	1.9
114.72760	0.6
121.02918	1.7
123.04507	1.2
125.09718	2.3
127.11279	0.9
137.02432	2.4
137.09677	0.8
139.11259	2.1
147.04475	1.4
149.02426	3.6
155.10777	0.8
167.14372	0.6
171.10236	1.8
201.11258	0.7
247.20647	10.6
248.20963	0.9
265.21689	8.0
266.21936	0.9
281.21222	0.8
283.22632	1.3
291.19647	5.2
292.19958	0.7
301.23602	1.0
303.08636	1.1
309.20673	14.8
310.21088	1.6
327.18768	0.5
327.21707	17.0
328.22034	1.7
345.22754	100.0
346.23108	11.7
362.18176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98428	0.4
59.01373	13.4
60.01704	1.2
61.98821	100.0
71.08366	0.4
71.08685	0.5
78.83894	0.3
81.54250	0.5
89.88441	0.4
92.99769	0.4
96.80778	0.3
158.03691	0.5
159.03294	0.6
201.02495	2.0
202.02679	5.9
203.02238	7.8
203.99965	43.1
204.02942	1.4
205.00133	4.4
211.31267	0.4
245.81354	0.4
247.86983	0.4
346.00854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.6
60.01370	0.6
61.98811	0.7
65.36555	0.6
66.29042	0.6
66.82436	0.6
69.46104	3.7
71.01404	0.8
72.99289	1.3
79.95722	6.9
80.96511	0.7
82.69088	0.6
89.02436	0.6
93.03442	2.9
96.95960	1.2
99.04505	3.0
103.00356	4.3
107.05012	1.6
107.71767	0.5
119.05011	100.0
120.05346	4.8
120.99689	0.6
128.50060	0.7
135.04507	17.3
163.04008	10.8
168.95367	0.6
173.04668	0.7
181.05040	11.6
185.02809	0.8
195.03439	0.6
199.00673	41.2
199.09822	1.2
200.00978	2.3
215.00163	23.0
216.00522	1.5
223.06126	2.1
242.99677	3.1
261.00705	17.7
262.01038	1.3
303.01764	18.9
304.02191	1.9
311.07718	0.9
328.99615	5.5
347.00720	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	347.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	47.1
63.52330	1.0
67.01865	3.4
69.03448	98.4
69.70207	5.9
70.03773	2.6
72.42249	0.9
87.00845	1.7
95.01376	3.5
95.05016	22.6
111.00130	2.0
111.00866	25.8
112.01148	1.2
113.02449	6.1
121.02940	8.4
121.06546	2.5
123.04505	4.4
129.54272	1.0
137.06082	6.1
139.00357	100.0
139.07640	2.8
140.00668	4.0
165.05550	17.8
166.05893	2.1
183.06606	15.0
184.07008	1.5
209.04515	1.6
220.62326	1.1
233.08058	4.1
277.07193	8.0
285.10953	1.2
319.45605	1.0
347.11292	5.1
347.18408	1.8
348.11536	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	347.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	41.4
61.00786	1.1
63.16037	1.1
67.01895	2.6
68.29761	1.1
69.03447	91.2
70.03749	1.6
70.50871	1.2
71.01377	5.5
71.61104	2.0
85.02956	1.8
87.00850	1.2
88.04012	1.5
89.26544	1.1
95.01383	4.1
95.05025	20.1
99.00865	1.4
101.02403	2.4
109.18137	1.2
111.00867	23.7
113.02429	7.3
121.02940	5.3
121.06553	3.1
123.04523	3.6
132.03023	8.2
137.06064	6.0
139.00362	100.0
139.03989	2.3
139.07658	2.9
140.00687	4.3
149.02455	1.2
165.05550	18.3
173.04585	1.5
183.06619	13.9
187.13344	1.1
209.04485	3.5
216.14172	1.1
233.08128	4.7
277.07184	9.4
310.36453	1.1
341.72180	1.0
347.11307	5.3
347.16922	4.6
366.12683	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	347.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40131	0.5
57.03446	3.0
58.41473	0.5
59.01371	5.1
63.55976	0.5
66.83161	0.5
71.01374	5.9
71.31902	0.8
73.02923	1.2
76.58354	0.5
83.05012	8.1
85.02919	1.7
87.00858	0.6
89.02427	2.1
93.03444	4.9
95.04989	1.1
97.06556	1.6
99.00860	1.5
99.04492	1.0
101.02406	2.9
103.02222	0.6
106.59528	0.5
109.06573	2.6
111.04517	3.2
111.08144	68.0
112.08472	2.5
113.02402	1.7
115.07602	0.6
119.03457	0.6
129.09215	4.2
137.02396	1.0
143.03458	0.6
155.03522	4.1
160.30151	0.5
161.04559	1.3
173.04567	11.3
173.08156	100.0
174.04823	0.8
174.08505	5.0
185.08116	0.8
185.11777	0.6
191.05591	1.5
300.90573	0.7
347.13428	27.2
348.13681	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	347.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.0
59.01362	1.9
69.64380	2.7
71.01365	3.2
73.02937	0.7
81.03458	0.6
83.05013	7.9
85.02937	1.2
89.02425	1.1
93.03444	3.0
97.06531	0.6
98.20525	0.7
101.02401	1.0
101.39691	0.5
107.30164	0.6
109.06580	1.7
110.74679	0.5
111.04523	2.9
111.08148	67.1
112.08495	2.7
113.02450	0.9
115.07674	2.9
129.09189	2.5
155.03450	3.5
173.04604	10.9
173.08168	100.0
174.04961	0.6
174.08513	4.8
183.31758	0.5
185.11832	0.7
185.22592	0.5
191.05597	0.9
281.15030	0.5
342.13074	0.5
347.13425	21.6
348.13766	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	347.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
57.03433	2.6
59.01371	28.6
67.01877	1.7
69.03447	2.1
69.37394	6.1
71.01374	26.3
71.04980	0.8
72.99306	1.6
73.02932	6.7
75.00854	1.0
81.03441	0.9
83.01363	3.8
85.02938	11.3
87.00864	6.3
89.02435	12.5
91.53425	0.7
93.03448	10.8
94.03764	1.3
95.01377	2.4
97.06555	1.8
98.19900	1.2
99.00862	2.7
99.04512	0.8
101.02431	17.8
109.02938	0.7
111.00879	1.0
111.04492	1.9
113.02431	11.0
115.07591	0.6
117.57767	0.6
119.03487	5.9
129.01955	0.8
135.04524	0.8
137.02441	2.1
137.09694	8.0
143.03513	1.2
147.02989	2.3
154.89154	0.7
155.03445	2.5
155.10754	100.0
156.11055	5.5
159.02979	2.0
161.04532	8.7
165.04012	2.8
167.10753	1.1
173.04523	40.4
173.11795	10.8
174.04773	1.4
179.03513	1.9
185.11836	5.7
199.09721	69.3
200.10110	4.2
232.25540	0.6
257.13971	0.9
347.13315	19.0
347.17090	40.4
348.13611	1.8
348.17422	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	347.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.01375	8.9
63.32097	1.2
69.29028	1.1
69.29204	1.5
69.29619	8.2
71.01382	6.7
72.99285	3.6
75.00863	18.1
85.02944	5.2
89.02435	2.4
99.00862	2.2
101.02422	2.9
113.02428	2.2
129.01906	3.8
135.04489	2.6
137.09718	9.0
147.02989	16.2
153.09183	1.3
155.10764	100.0
156.11107	5.5
165.04005	9.8
179.03374	1.2
181.17484	1.0
185.11734	1.3
199.09737	47.6
200.10057	3.3
347.13348	57.7
347.17102	13.6
348.13806	4.9
348.17429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1342
Annotation	Phyllaemblic acid B
Peak:m/z	Relative Intensity
57.03438	1.8
59.01379	2.7
67.01879	3.5
69.03446	0.9
69.30878	2.1
69.31296	2.5
69.31792	0.5
71.01367	3.5
81.03442	1.0
83.05028	2.9
85.02922	0.6
93.03447	24.8
94.03773	1.1
98.19823	0.9
101.02430	0.9
109.02940	1.4
109.06549	0.9
111.00837	0.8
111.04517	4.7
111.08147	19.0
112.08481	0.6
113.02433	0.9
125.38332	0.6
129.09218	1.4
137.02434	5.5
155.03477	4.4
173.04523	100.0
173.08141	28.3
174.04880	5.5
174.08502	1.8
176.74335	0.5
238.82718	0.6
347.13388	16.8
347.16678	0.8
348.13721	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	347.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31996	0.3
55.01865	1.4
59.01369	1.4
64.43304	0.3
66.48213	0.3
71.01373	2.0
73.02927	0.7
75.00854	1.8
85.02913	0.5
87.00861	1.7
87.60706	0.3
89.02431	0.7
93.18934	0.3
99.00873	1.9
99.04508	1.0
101.02437	1.1
105.01940	0.9
105.43993	0.3
118.21673	0.4
119.03442	0.3
121.06612	0.6
123.04507	0.5
135.08130	0.7
137.08733	0.5
137.09717	7.7
137.29857	0.3
138.10030	0.3
147.02957	3.0
153.05579	0.5
155.10757	100.0
156.11078	5.4
160.29575	0.3
161.04520	1.1
165.03998	3.4
185.11830	3.5
186.12187	0.4
199.09726	56.3
200.10088	3.4
347.13416	28.6
348.13809	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	347.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
57.03437	1.9
57.73413	1.2
58.00580	3.9
59.01373	100.0
60.01708	2.7
68.02515	5.9
69.03439	3.8
69.75031	7.7
71.00987	2.8
71.01373	52.1
72.99297	3.8
73.02921	2.8
83.01373	3.3
84.46689	1.3
85.02950	11.0
87.00868	3.6
89.01911	3.1
89.02438	47.3
95.01376	2.5
99.08150	1.7
101.02428	33.0
102.02752	1.6
106.98035	1.3
113.02432	21.4
119.03486	25.6
119.04996	3.9
120.05370	1.8
131.03468	1.5
133.02943	2.0
135.04530	6.7
136.04843	2.1
143.03520	2.3
149.04567	2.2
149.06058	9.0
161.04489	5.2
167.10745	31.3
168.11084	2.7
173.04562	2.4
179.03464	7.2
179.05591	5.8
180.03821	1.8
185.11861	9.7
283.06085	1.5
324.60413	1.8
347.17047	63.8
348.17487	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	347.1706
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01869	1.6
58.00575	3.6
59.01371	100.0
60.01720	1.4
68.02528	2.4
69.03450	2.4
70.74284	1.2
71.01373	53.3
71.61098	1.0
71.61535	1.3
72.99303	4.7
73.02917	2.7
75.00855	1.8
82.18520	1.0
83.01368	4.5
85.02940	12.1
85.04556	1.2
87.00857	2.6
89.02429	46.9
93.03447	1.2
95.01367	3.9
99.08142	1.6
101.02432	36.7
101.55787	0.9
102.02746	1.2
103.14301	1.0
113.02431	20.6
115.03950	1.5
119.03497	27.7
119.04967	1.4
131.03493	2.5
135.04495	3.7
136.04854	1.2
143.03496	3.4
149.04918	1.4
149.06013	7.6
161.04515	5.0
163.77330	1.1
167.10754	33.2
168.11067	1.4
173.04529	3.2
179.03522	5.1
179.05559	6.7
185.11826	5.8
261.62738	1.4
287.21399	1.2
300.14322	1.3
347.17041	62.3
348.17316	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	347.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89317	0.7
59.01373	3.5
59.11509	0.8
69.03455	1.6
71.01374	6.3
71.05019	2.2
71.62767	1.2
72.99300	6.3
73.02947	7.4
73.99705	0.6
74.95634	0.7
75.00864	17.5
76.42618	0.8
81.03459	4.0
87.04515	2.3
91.73483	0.7
93.03458	0.9
99.00893	2.9
99.04511	8.3
107.05029	1.6
118.06470	0.8
120.30608	0.9
135.04468	1.9
137.06044	1.2
139.11255	1.9
143.03491	5.1
155.10695	1.2
161.04543	19.9
164.28526	0.7
185.11801	100.0
186.12117	6.8
199.09682	0.8
326.50134	0.8
347.17041	43.7
348.17328	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	347.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24494	0.9
54.44317	0.8
55.01860	3.6
57.03451	6.8
58.00572	1.3
59.01094	1.4
59.01374	25.2
67.01890	5.0
69.03450	3.2
71.01376	59.7
71.05023	5.9
71.60742	1.5
71.61104	1.0
72.99288	2.1
73.02933	18.1
75.00860	2.0
81.03422	1.7
83.01373	7.0
83.05012	4.3
85.02943	22.0
85.06570	3.9
87.00861	2.7
89.02433	12.8
93.03446	27.2
94.03808	1.1
95.01386	4.9
95.05022	1.4
97.02930	1.8
97.06581	43.9
98.06887	1.0
99.00872	5.8
101.02438	31.2
109.06595	1.0
111.00847	2.8
111.04516	5.3
111.08139	22.2
113.01683	1.6
113.02431	21.5
113.06054	1.4
115.07637	70.3
116.07953	2.4
119.03458	3.6
125.02441	2.1
129.01921	2.4
129.09210	1.6
135.04498	1.5
137.02419	5.5
143.03456	3.0
154.02309	1.1
155.03473	4.0
159.02983	10.1
161.04539	26.6
167.10768	10.4
173.04527	100.0
173.08144	27.1
174.04817	3.8
174.08469	1.7
185.11794	25.7
186.12146	2.1
199.09651	1.8
218.75562	0.9
253.88087	0.9
347.13287	17.2
347.17117	11.6
348.13660	1.1
348.17599	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	347.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.1
55.12639	0.6
57.03448	6.3
58.00597	3.5
59.01373	100.0
60.01705	1.3
60.99307	1.8
67.01886	3.5
69.03445	1.6
70.62536	0.9
70.62887	1.4
71.01373	88.5
71.05003	0.9
72.01717	1.9
72.82208	0.7
72.99294	5.3
73.02937	24.7
73.77039	0.8
75.00860	1.1
81.03468	0.9
82.50326	0.6
83.01377	14.9
83.05032	1.0
83.70801	0.6
85.02941	35.6
87.00863	11.8
89.02432	45.9
93.03444	26.2
94.03785	0.6
95.01369	7.8
97.02956	1.5
97.06593	1.3
99.00874	9.2
101.02431	93.4
102.02769	3.2
109.02950	0.7
111.04520	4.5
111.08141	6.6
113.02435	37.1
115.04017	1.1
115.07648	0.9
119.03487	20.4
119.04893	1.1
125.02444	1.5
129.01923	1.7
131.03513	3.1
135.04478	2.5
139.07623	0.9
143.03467	6.3
147.04457	0.9
149.04515	1.1
155.03511	1.1
159.02992	6.1
161.02487	1.4
161.04532	34.7
162.04872	1.3
165.63779	0.7
173.04532	17.5
173.08130	4.2
176.30797	0.8
179.03448	2.9
179.05544	5.0
185.11800	11.5
186.12143	1.0
191.03976	1.0
191.05591	8.3
193.17969	0.6
199.09679	0.7
229.10641	1.1
245.13892	4.1
338.99570	0.6
347.13220	27.9
347.16980	54.5
348.13580	2.5
348.17331	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	347.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61697	0.3
53.21260	0.3
57.03434	0.7
59.01371	2.0
60.99295	0.8
67.01875	4.2
69.03441	1.0
69.35444	2.8
71.01368	3.6
78.43094	0.3
81.03448	0.9
83.05025	1.1
84.02143	0.5
85.02934	0.9
93.03443	27.3
94.03786	0.8
95.08630	0.5
98.20728	0.3
101.02438	0.4
109.02940	0.9
111.00844	1.5
111.04509	5.7
112.04870	0.5
113.02419	0.6
121.06594	2.2
123.08138	1.4
124.41127	0.4
137.02417	5.4
137.06049	0.9
139.06583	0.6
139.07632	8.8
140.08025	0.4
141.09192	5.9
154.62596	0.3
155.03491	5.2
165.05542	1.2
173.04517	100.0
173.11790	20.2
174.04865	4.3
174.12154	1.2
183.06488	1.9
191.05750	0.4
193.61345	0.3
203.73775	0.3
209.04533	0.7
232.47046	0.3
267.38531	0.4
303.12369	1.3
330.13239	0.4
347.11395	0.8
347.17026	8.9
347.24078	0.7
348.17432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38676	0.6
55.01874	1.7
57.03441	2.1
58.00569	3.4
59.01372	100.0
60.01712	1.3
66.17542	0.7
69.75668	0.7
70.25738	2.3
70.26124	1.5
71.01375	48.9
72.01727	1.0
72.99298	3.8
73.02955	2.0
83.01390	2.8
85.02943	7.4
87.00866	2.4
89.02434	55.8
90.25344	0.6
95.01369	3.9
101.02431	37.8
113.02438	20.0
119.03490	28.2
126.75900	0.9
131.03476	2.5
143.03481	1.9
149.04488	1.2
156.06880	0.7
161.04573	2.3
167.10779	3.5
171.11063	0.7
177.16515	0.8
179.05559	3.8
185.11815	4.6
190.35933	0.9
229.85480	0.8
231.07552	1.0
347.17047	53.2
348.17480	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	347.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52534	0.2
55.01871	4.8
57.03444	3.3
58.00586	1.4
59.01373	28.8
60.01690	0.2
61.16670	0.2
68.99815	0.3
69.03439	1.4
71.01373	35.0
71.05004	0.4
72.00917	0.2
72.01698	0.6
72.99297	2.0
73.02938	12.5
75.00867	1.4
75.48212	0.3
81.03436	0.3
83.01370	7.0
83.29514	0.3
84.02166	0.3
85.02942	19.4
86.00075	1.2
86.03270	0.4
87.00864	2.8
88.35683	0.3
89.02428	5.6
93.03481	0.3
95.01377	3.3
97.02943	1.0
97.06592	0.3
99.00870	5.3
101.02432	29.7
102.02797	0.5
110.07227	1.0
111.00864	1.6
111.07520	0.4
111.08223	0.3
112.01637	0.3
113.02432	12.0
114.02757	0.4
119.03500	1.4
119.74679	0.2
125.02448	1.1
127.07583	0.3
129.01917	0.7
131.03485	0.5
139.11259	1.5
141.01939	0.5
143.03484	1.6
145.02258	0.3
152.54463	0.3
154.06229	1.3
155.06555	0.6
155.10822	0.4
159.02969	2.0
161.02448	0.3
161.04533	6.9
167.10742	1.1
173.04498	1.6
179.05579	0.4
183.10240	3.7
184.10518	0.3
185.11801	6.9
186.12178	0.5
199.09763	0.6
203.12820	0.4
227.12869	0.3
250.27031	0.3
261.96051	0.3
268.41687	0.2
329.15912	2.5
330.16339	0.4
347.17050	100.0
348.17389	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	348.9856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21565	0.2
59.01369	0.6
61.98822	100.0
62.98527	0.5
63.99256	0.4
71.59663	0.3
86.46947	0.3
101.02401	0.3
101.53362	0.2
110.82175	0.3
162.98485	1.6
203.99942	0.8
205.00108	1.8
205.99684	3.2
206.97414	74.7
207.97525	6.1
248.04349	0.3
293.48764	0.3
348.98535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19952	1.1
52.78043	1.3
57.61756	1.1
59.01372	23.6
63.07349	1.0
64.57995	0.9
67.01886	7.1
69.03444	14.8
71.01374	15.6
78.77408	1.3
81.02758	1.0
85.02937	18.2
89.02426	7.7
93.03449	1.7
95.05011	28.4
97.02934	10.0
97.06567	2.1
98.20682	3.4
99.04497	11.2
105.07092	13.8
106.04234	1.1
107.04998	7.5
108.39738	1.1
111.00866	70.6
111.08138	12.3
112.01196	3.0
115.04005	3.0
119.05039	1.7
121.02940	17.9
121.06586	2.1
121.65584	1.1
123.08150	100.0
124.08484	3.4
125.06047	5.2
137.06073	17.3
139.04004	10.3
141.02020	2.3
149.06059	18.4
153.05498	2.6
155.07126	4.6
167.07124	11.6
169.08691	1.3
181.05048	33.8
182.05309	2.7
185.08226	6.6
192.85371	1.2
199.06093	12.0
211.06091	30.6
212.06483	2.2
213.07660	6.9
229.07135	16.7
259.09641	1.2
319.11847	2.0
349.12888	37.7
349.17401	1.9
350.13138	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	349.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
58.00578	3.0
59.01374	74.6
59.96498	1.2
60.93151	1.2
64.17520	1.3
70.92661	3.0
71.01376	38.6
72.99283	2.3
73.02940	4.6
79.05518	2.7
83.01371	1.8
85.02947	7.6
87.00861	1.6
89.02433	36.1
95.01389	2.5
95.08667	11.4
99.04509	49.1
101.02435	26.0
109.30535	1.3
113.02441	13.3
119.03477	14.9
135.04716	1.5
161.04555	1.8
168.20795	1.1
169.08670	28.2
177.05571	2.4
179.05611	2.0
187.09698	2.3
188.56036	1.5
189.05569	2.2
192.43619	1.2
201.11229	6.3
211.81137	1.4
214.41853	1.1
217.36615	1.2
265.68112	1.3
310.88553	1.6
311.07654	4.8
349.14981	100.0
350.15231	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	349.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
59.01373	13.8
64.00360	0.8
69.03462	1.2
71.01377	8.8
71.62737	1.4
73.02959	1.4
75.00876	2.0
78.79635	0.9
83.01370	1.3
85.02950	3.0
89.02438	5.1
91.21007	1.0
99.00861	1.9
99.04508	5.7
101.02434	4.4
103.88768	0.9
113.02445	2.9
119.03531	2.2
120.99645	1.7
130.78722	0.9
147.02998	4.6
155.10811	1.6
178.82022	1.0
183.10237	30.4
184.10522	1.6
187.13428	1.2
201.11299	100.0
202.11635	7.0
264.11411	1.3
349.10565	1.1
349.14920	17.7
349.18741	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	349.15
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77035	0.5
55.01872	0.5
59.01375	9.4
69.34592	4.2
71.01377	4.7
73.02946	5.3
74.39161	0.4
77.91505	0.4
85.02948	1.6
87.00877	1.7
89.02440	4.6
95.08686	0.6
99.04510	100.0
100.04843	3.0
101.02437	4.7
103.04007	0.7
107.08634	0.6
113.02431	1.3
119.03507	2.3
119.05016	2.2
120.99633	0.7
135.04530	0.8
139.07538	0.5
147.02980	1.5
151.03966	0.7
169.08649	2.0
173.69215	0.5
183.10219	1.1
201.00317	0.7
201.11298	13.4
201.13174	0.8
202.11705	0.7
227.05536	0.7
244.98810	0.6
311.43927	0.5
313.11398	1.2
349.14978	22.9
350.15170	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	349.165
Annotation	Leucanthanolide
Peak:m/z	Relative Intensity
57.03446	1.2
59.01369	31.5
67.01887	0.9
69.03455	4.0
69.05759	0.8
71.01370	11.8
71.05030	1.0
72.99302	1.3
73.02998	0.7
74.02486	3.2
81.07114	0.9
83.01382	0.8
85.02950	2.3
87.00933	0.8
87.04510	1.8
89.02437	11.2
95.01381	0.8
95.05020	1.6
99.04541	2.5
101.02416	6.5
107.05042	0.9
111.00893	5.7
113.02454	3.3
117.03444	1.4
118.05135	1.9
119.03506	4.8
119.04990	0.9
119.40500	0.6
120.99722	1.0
121.02991	1.7
123.08183	3.1
132.02196	1.3
133.02936	28.5
134.03786	6.4
135.04512	19.4
137.02414	7.2
137.06088	1.6
139.04022	2.6
141.12834	1.1
143.03442	0.8
161.02417	100.0
162.02762	6.6
167.07205	0.8
178.02663	3.0
179.03445	10.7
179.05588	1.8
181.05054	2.3
185.08147	1.2
185.11758	1.1
187.13361	8.2
213.07613	1.0
229.07132	1.0
229.20862	0.9
254.91592	0.7
257.30960	0.7
262.14505	1.1
285.58429	0.8
349.16360	88.7
350.16693	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	349.1861
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01869	1.7
57.03429	1.1
58.00586	4.3
59.01373	100.0
69.03439	1.0
69.23047	6.5
69.23463	2.3
71.01376	51.3
72.99300	3.3
73.02921	2.1
83.01392	3.8
85.02939	9.4
87.00888	2.3
89.02433	53.5
90.02776	0.8
95.01369	3.9
98.20589	1.3
101.01765	1.8
101.02435	35.5
113.02437	20.0
119.03493	26.2
123.08088	1.5
130.22055	0.7
131.03491	2.4
143.03506	2.2
149.04550	2.4
161.04520	1.3
169.12300	2.8
176.69580	0.8
179.05602	3.4
187.13406	4.7
345.63049	0.8
349.18628	56.5
350.18982	6.6
355.88327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54137	1.2
57.03449	1.5
58.00579	2.1
58.20829	1.2
59.01375	59.9
65.32686	1.5
69.03436	1.9
71.01373	34.2
71.04987	1.6
72.01721	1.4
72.99288	2.2
85.02951	6.6
87.04510	1.7
89.02429	34.5
95.01383	3.0
99.04530	2.0
101.02426	19.9
107.04979	1.3
111.00874	2.1
113.02439	14.4
118.33004	1.2
119.03490	18.7
121.02949	2.0
123.08174	3.1
131.03452	1.5
133.02934	27.8
134.03789	6.6
135.04526	17.0
137.02437	6.4
139.04004	2.7
141.12883	2.2
143.03427	2.4
161.02422	100.0
161.04543	2.8
162.02768	5.9
169.12312	2.8
178.02719	3.3
179.03427	9.3
179.05457	2.9
181.05145	2.5
182.96330	1.3
187.13373	10.6
211.06149	1.8
215.35706	1.2
229.06995	2.8
299.10645	1.3
318.24878	1.6
349.16064	72.4
350.16446	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	349.1861
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
52.55770	1.2
55.01850	2.5
57.03425	3.8
58.00574	4.0
59.01371	100.0
61.57290	1.2
67.14089	1.3
70.93526	3.9
71.01373	73.6
72.01706	1.4
72.99287	3.4
73.02937	9.5
83.01382	4.3
85.02943	17.1
87.00852	2.8
89.02435	57.1
95.01365	5.1
99.00889	4.0
99.04497	2.0
101.02432	48.9
101.23719	1.3
113.02434	33.0
119.03493	29.0
120.25848	1.3
131.03453	3.5
143.03485	7.5
149.04547	2.9
159.02991	1.4
161.04532	20.6
162.82327	1.2
179.05603	12.6
187.13368	9.1
215.43546	1.5
225.68129	1.4
349.18610	77.0
350.19073	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	349.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38479	0.5
51.89475	0.5
52.16424	0.5
55.01870	1.8
55.21938	0.6
57.03442	3.6
58.00587	3.6
59.01371	100.0
60.01703	1.6
69.03442	1.1
69.30395	5.3
71.01373	76.4
72.01714	0.8
72.99294	3.9
73.02943	9.1
75.00854	0.9
79.24403	0.5
81.07085	0.7
82.18380	0.6
83.01385	4.8
84.02186	0.5
85.02940	20.7
87.00867	3.3
87.04498	1.3
89.02432	61.3
90.02746	1.0
95.01382	5.7
97.02972	0.7
99.00862	4.2
99.04521	4.6
100.68147	0.5
101.02431	43.1
101.16374	0.6
102.02772	1.0
111.08129	1.2
113.02433	32.9
114.02770	0.7
115.07594	0.6
119.03486	25.9
125.02405	1.2
128.03502	0.6
131.03482	2.4
136.71777	0.6
143.03510	5.1
147.39502	0.5
149.04501	1.8
150.66415	0.5
152.90605	0.5
159.02957	2.7
161.04552	16.7
162.04951	0.8
173.08112	0.9
179.05595	7.0
185.11833	0.9
187.13396	10.1
188.13756	0.7
294.84653	0.6
349.14847	4.3
349.18588	37.6
350.18903	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	349.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17698	1.7
55.01862	2.4
57.03432	4.7
58.00564	4.3
59.01373	100.0
70.01189	3.7
70.01595	5.8
71.01376	79.3
72.99306	5.1
73.02945	11.1
75.00861	2.6
83.01371	6.4
85.02951	24.2
87.00852	5.5
89.02436	61.1
95.01396	5.0
98.20005	2.4
99.00854	4.7
99.04514	11.1
101.02434	48.6
113.02441	33.1
119.03487	28.5
127.83726	1.6
128.03516	7.2
131.03490	4.7
133.06914	7.4
143.03445	5.1
159.02934	2.6
161.04559	17.4
179.05609	9.8
187.13397	8.2
200.05721	1.5
201.11342	4.0
207.28067	1.6
211.84253	1.6
349.14978	5.1
349.18622	72.0
350.18900	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	349.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17698	1.7
55.01862	2.4
57.03432	4.7
58.00564	4.3
59.01373	100.0
70.01189	3.7
70.01595	5.8
71.01376	79.3
72.99306	5.1
73.02945	11.1
75.00861	2.6
83.01371	6.4
85.02951	24.2
87.00852	5.5
89.02436	61.1
95.01396	5.0
98.20005	2.4
99.00854	4.7
99.04514	11.1
101.02434	48.6
113.02441	33.1
119.03487	28.5
127.83726	1.6
128.03516	7.2
131.03490	4.7
133.06914	7.4
143.03445	5.1
159.02934	2.6
161.04559	17.4
179.05609	9.8
187.13397	8.2
200.05721	1.5
201.11342	4.0
207.28067	1.6
211.84253	1.6
349.14978	5.1
349.18622	72.0
350.18900	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	349.1864
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01899	0.7
57.03436	0.7
58.00565	1.3
59.01373	31.0
66.00383	0.5
69.03431	1.5
70.72624	0.6
70.72965	1.3
71.01374	15.6
72.99295	1.3
73.02923	1.4
83.01364	1.8
85.02943	3.9
87.00861	1.0
89.02437	13.1
95.01354	1.0
98.54715	0.5
101.02417	10.6
113.02431	5.3
119.03494	4.7
123.08111	1.3
131.03494	0.5
137.02386	0.8
137.06038	0.9
139.11246	0.8
141.12836	24.5
142.13177	1.4
143.03439	0.9
155.14427	0.6
161.04478	0.5
167.18256	0.5
169.12363	4.2
170.94513	0.5
171.13849	1.5
183.13846	1.6
187.13365	50.7
188.13707	3.3
225.99011	0.5
229.14442	1.2
277.32281	0.6
305.13684	0.6
349.18597	100.0
350.18930	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	349.1863
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
51.36732	0.9
55.01869	1.4
58.00567	2.2
59.01371	76.0
60.01692	0.9
61.23270	0.8
67.01869	2.5
67.23802	0.7
69.03437	2.4
71.01371	41.4
71.05004	1.0
71.61078	1.1
72.01699	1.3
72.99294	3.2
73.02933	1.9
78.43950	0.7
83.01372	2.9
85.02939	8.1
87.00880	1.2
89.02432	36.0
90.98627	0.8
93.03436	0.9
95.01366	2.7
95.04986	2.8
97.02938	0.7
99.04505	5.2
101.02431	25.8
105.07077	0.9
111.00861	9.9
111.08127	1.1
113.02431	13.9
119.03485	18.2
121.02947	1.6
121.54890	0.8
123.08146	4.7
125.06094	0.9
131.03462	1.3
137.06047	1.4
141.12788	1.2
143.03447	2.1
159.11804	1.1
161.04591	1.2
169.12305	12.7
179.05539	2.1
181.05049	5.9
185.09679	1.3
187.13327	5.0
203.10786	1.9
211.06056	1.3
213.07614	2.1
228.04622	0.8
349.18607	100.0
350.18988	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	349.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84186	7.0
55.38075	6.9
58.61989	7.7
59.01369	59.7
71.01372	24.1
71.61095	12.5
85.02946	8.2
89.02439	18.3
98.46336	7.3
101.02436	13.1
113.02429	8.1
311.22235	100.0
312.22504	10.0
313.23456	25.5
344.79678	10.1
349.18893	13.8
349.57632	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	349.2015
Annotation	Angustanoic acid D
Peak:m/z	Relative Intensity
57.23728	0.3
59.01372	1.7
61.98825	0.5
62.25900	0.3
63.44697	0.4
70.08630	1.1
77.86504	0.3
82.66909	0.3
83.05003	0.7
85.02944	0.4
91.69193	0.4
108.02171	0.5
110.03754	0.5
144.76050	0.3
145.28688	0.3
185.65970	0.4
203.14345	1.1
217.15919	0.5
219.17500	5.6
220.17850	0.6
220.39130	0.3
229.15961	0.5
235.16960	0.5
239.51772	0.4
245.15433	1.8
247.16988	100.0
248.17323	11.1
261.14948	1.5
283.55771	0.3
289.18076	8.9
290.18311	0.8
305.20987	0.5
349.20352	1.6
349.23920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.3
59.01373	100.0
61.25714	1.3
67.01869	1.9
71.01366	3.5
71.20469	1.7
85.02946	2.1
93.03461	6.3
105.03478	2.2
109.02937	2.3
115.23421	1.4
122.77704	1.2
123.04498	1.8
133.02942	11.3
135.04497	4.5
140.03685	1.4
142.06584	2.9
144.74527	1.2
146.02477	2.4
149.02452	1.5
152.07133	2.5
155.03624	1.4
160.01627	3.2
160.04048	4.0
160.07625	2.1
161.02419	2.2
170.06085	3.8
173.04538	17.1
174.05563	3.6
177.01930	4.5
178.01328	3.0
178.05049	3.7
179.03491	3.8
186.05620	3.8
186.09195	1.5
187.06354	2.9
188.03508	15.3
190.01414	8.7
191.03519	1.8
191.05663	1.6
202.05096	9.2
202.08728	6.0
203.05504	1.9
204.02969	8.8
205.05049	1.7
206.04572	10.6
210.07678	1.9
215.05582	2.0
218.04428	2.5
219.05258	11.8
230.08110	2.8
232.02478	34.7
233.02853	3.0
234.07671	44.2
235.08028	3.2
238.07121	5.5
245.12514	1.2
246.07692	7.5
247.04823	64.1
248.05136	5.1
261.06381	2.7
262.10791	27.3
263.11203	2.0
263.81003	1.2
264.08783	3.7
265.08206	1.4
276.08719	67.4
277.09058	7.1
278.06564	6.3
306.09973	3.9
350.08810	7.5
351.06888	2.0
351.11002	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	350.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21355	2.1
59.01369	9.0
61.98824	100.0
64.92539	2.3
71.61363	2.7
71.61734	2.3
74.98316	2.6
83.55921	2.3
96.96020	2.8
111.90507	2.2
138.20659	2.1
150.41429	2.3
271.06024	2.7
275.52179	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	351.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57858	1.3
52.98074	1.1
53.03411	1.2
59.01371	7.0
60.27175	1.1
60.99294	3.1
67.01887	7.6
69.03441	1.9
69.94035	6.7
69.94349	1.8
71.01365	4.3
73.02945	1.7
77.03960	2.1
79.57343	1.2
81.03437	2.7
83.05003	2.3
85.02940	3.9
85.49226	1.2
87.00857	14.2
91.05526	1.7
93.03445	44.4
94.03783	2.1
95.05006	5.8
105.03452	17.0
107.05010	4.8
109.02943	19.4
111.04499	10.0
117.03423	1.7
123.04485	5.2
127.04022	2.0
133.02934	100.0
134.03296	4.1
135.04503	31.5
137.02400	1.9
137.06055	1.7
149.02454	2.1
150.03198	7.7
151.03868	2.3
155.03477	3.7
173.04515	54.8
174.04893	2.8
177.01904	35.5
178.02184	2.4
179.03447	8.5
187.72893	1.4
191.05585	58.8
192.06018	2.6
197.04544	1.2
203.94276	1.2
215.05577	44.9
216.05928	3.1
269.47739	1.3
279.56671	1.3
307.08157	7.5
351.07147	26.9
351.16141	2.3
352.07538	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	40.2
68.13738	2.8
69.98988	8.8
71.01379	17.4
75.90617	2.6
76.20693	2.5
84.85729	3.1
85.02954	7.5
89.02438	29.8
89.91051	2.9
101.02424	14.1
105.16755	2.6
107.42066	2.7
108.45208	3.0
113.02453	4.9
119.03489	7.6
127.07626	3.1
130.62857	2.9
133.91197	2.5
135.04518	27.6
156.57784	3.2
254.06516	3.0
313.11386	5.4
315.10818	100.0
316.11145	11.5
342.58777	2.8
351.08554	32.1
351.12781	4.3
352.08914	3.9
370.17435	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	351.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	37.9
69.73928	82.7
71.01361	22.1
76.64299	13.3
77.41598	13.0
89.02425	16.5
101.02470	26.0
113.02386	23.4
135.04474	42.0
136.43811	13.5
315.10861	100.0
316.11063	16.0
351.08350	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.2
59.01370	28.0
61.82011	1.2
66.53935	1.2
67.98852	1.4
71.01374	14.2
75.25957	1.2
81.19350	1.2
85.02937	1.3
86.39294	1.2
89.02431	17.3
95.01352	1.7
101.02441	10.5
108.62453	1.2
113.02412	6.8
119.03537	5.8
123.04486	1.4
135.04507	27.6
136.04791	2.3
151.04079	1.4
153.05594	4.3
200.27475	1.5
245.88803	1.2
293.24594	1.4
315.10806	100.0
316.11221	9.1
328.97195	1.3
351.08463	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
59.01370	14.8
64.94968	0.9
67.01875	1.1
69.54704	6.4
71.01372	12.1
72.99311	2.0
73.02921	1.4
75.00868	13.6
83.01385	1.3
85.02940	18.1
87.00872	6.1
89.02429	2.6
93.03439	5.8
93.53461	0.9
95.01376	3.6
98.19852	1.2
99.00872	8.3
101.02433	3.1
101.06068	100.0
102.06393	2.8
103.00333	1.5
105.01916	1.5
105.03445	2.9
109.02902	1.5
110.07994	1.0
111.00865	1.5
111.08149	2.0
113.02443	18.7
115.00368	1.9
117.01912	2.4
123.04500	1.7
129.01895	1.9
130.99873	0.9
131.03490	1.6
133.02951	14.2
135.04530	2.4
136.39355	1.0
163.06064	2.4
169.98970	0.9
173.04523	7.7
175.02484	1.2
177.01923	5.7
181.07115	1.9
191.05608	3.8
215.05597	3.0
231.05070	1.4
249.06113	13.9
250.06462	2.2
333.11923	3.7
351.12912	71.0
351.20081	5.1
352.13168	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	351.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	20.1
59.07923	2.0
60.99291	2.6
68.11018	2.1
69.03440	4.5
69.34489	12.2
69.34914	8.7
71.01376	20.0
79.05527	4.0
85.02906	3.1
89.02425	5.1
95.08672	18.2
97.06586	4.0
103.35648	2.3
107.08649	31.5
109.06602	4.7
111.00838	3.5
111.04496	6.6
111.08139	4.2
117.40166	2.3
121.06585	15.3
123.04464	8.3
125.09697	6.3
126.74460	2.6
127.07594	5.8
137.06070	29.7
139.07639	81.5
140.07968	5.8
141.05582	6.2
144.72209	2.4
151.07631	100.0
152.07956	6.6
157.08707	25.4
165.93907	2.6
169.08685	20.7
171.04666	2.5
183.05367	1.3
183.06589	64.1
184.06912	6.5
187.09698	5.9
195.06598	7.2
201.07668	73.3
202.08029	3.2
202.64987	2.8
213.07657	82.7
214.07954	3.9
231.08687	30.6
231.10767	3.2
321.13336	9.2
333.13477	5.5
333.71304	2.6
351.14429	98.6
352.14734	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	351.1702
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
57.00941	1.3
59.01377	10.6
64.69632	1.1
65.73944	1.3
75.00872	1.6
95.05035	6.2
96.95979	1.5
150.03001	1.3
188.34241	1.6
195.13846	6.9
223.13435	2.8
246.12453	2.7
275.20169	1.7
278.11337	10.0
293.21191	41.7
294.21582	4.1
303.94165	1.4
314.07678	1.8
315.19284	2.4
315.25436	1.7
337.96854	1.3
351.17044	100.0
352.17294	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	353.0873
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01363	1.9
65.10431	0.4
71.01354	1.2
71.36577	0.6
85.02938	8.9
87.00867	1.8
93.03458	4.8
94.32014	0.5
103.08042	0.5
109.02898	0.7
111.04510	1.7
116.34328	0.4
127.04007	2.4
133.02881	0.7
134.03709	1.7
135.04510	13.9
136.04794	0.8
137.02390	0.6
155.03488	0.8
161.02377	2.1
171.02982	0.7
173.04535	6.9
179.03471	12.3
180.03812	0.8
191.05585	100.0
192.05949	3.6
202.07449	0.4
223.35161	0.5
353.08545	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	353.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25679	0.2
59.01380	0.6
59.04639	0.2
71.07262	0.4
85.02941	3.8
87.00835	1.0
93.03448	2.1
109.02917	0.3
111.04478	0.7
115.59944	0.2
118.15446	0.2
122.45790	0.2
127.04018	1.2
134.17966	0.2
135.04523	1.5
137.02437	0.3
161.02457	1.4
171.02969	0.4
173.04523	2.7
179.03444	2.8
191.05586	100.0
192.05927	4.2
353.08713	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0872
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.65502	0.3
55.34757	0.3
57.02927	0.3
59.01370	1.1
61.14682	0.3
63.31537	0.3
64.01814	0.3
65.85352	0.3
69.86176	0.6
69.86580	1.0
71.01360	0.6
73.98181	0.3
83.05008	0.6
85.02940	7.8
87.00871	1.8
93.03445	2.5
99.04491	0.3
103.74642	0.3
109.02924	0.6
111.04478	0.9
127.03982	1.9
133.02922	0.6
135.04500	0.9
161.02403	2.0
171.03023	0.5
173.04497	0.8
179.03448	0.8
191.05586	100.0
192.05913	4.5
252.55486	0.4
298.47003	0.3
318.93723	0.3
353.08621	1.6
354.08957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17101	0.7
57.62412	0.7
59.01366	1.7
60.46616	0.7
60.99284	0.9
63.34100	0.7
63.81128	0.7
67.01870	2.3
69.03448	0.8
69.65848	1.7
69.66255	2.6
71.01366	1.9
81.03427	1.1
83.05013	1.4
85.02955	5.6
87.00883	1.4
93.03444	16.1
98.20572	0.8
100.78992	1.0
101.41734	0.7
109.02940	1.0
111.04522	4.2
125.65037	0.7
127.04001	2.3
133.02933	1.3
134.03702	2.6
135.04510	48.8
136.04845	2.8
137.02409	4.7
155.03452	5.2
161.02423	3.1
173.04529	100.0
174.04860	5.2
179.03476	65.5
180.03802	5.7
191.05588	57.0
192.06044	2.5
225.15256	0.8
353.08740	14.3
354.09155	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	353.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
67.01891	0.5
69.79276	0.8
71.01366	0.8
85.02944	6.3
87.00868	1.6
87.41980	0.3
93.03462	2.3
99.54728	0.3
103.89851	0.3
109.02914	0.5
111.04517	0.8
127.03993	1.8
128.67293	0.3
133.02924	0.8
135.04503	1.4
161.02412	1.5
171.02979	0.7
173.04517	1.6
179.03429	1.6
191.05591	100.0
192.05943	5.7
249.36998	0.3
277.61780	0.3
353.08673	1.6
354.08994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25090	0.4
57.03447	0.8
59.01377	3.2
60.99309	0.6
67.01891	4.7
69.03453	1.3
70.89241	0.4
71.01382	3.1
73.64877	0.4
81.03447	0.9
83.05028	0.8
85.02937	0.9
86.06953	0.4
87.04494	0.5
93.03451	26.8
94.03770	0.8
95.94438	0.4
97.33868	0.5
109.02910	1.2
111.00883	1.0
111.04515	4.6
113.02444	0.5
130.08681	0.5
137.02422	5.7
142.77689	0.4
155.03499	5.8
161.09702	0.6
173.04526	100.0
174.04855	4.7
179.03423	0.6
179.10757	14.1
180.11118	1.0
191.05573	4.6
192.05861	0.5
227.91920	0.4
353.15909	4.0
353.19125	0.4
353.23254	0.8
354.16229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34208	1.3
59.01364	4.4
64.69920	1.3
69.46053	10.3
73.54159	1.4
75.00877	2.1
85.02927	1.7
93.03506	1.4
135.04543	2.1
170.48566	1.3
171.10233	10.5
173.04541	2.0
174.24982	1.2
179.76695	1.4
191.05605	21.4
195.13905	2.1
240.32350	1.3
277.21658	17.2
278.21878	2.2
295.22806	22.5
296.23267	2.9
311.29068	1.7
353.18591	100.0
354.18958	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	353.1861
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
51.37584	1.2
51.60496	1.3
59.01368	3.8
75.00869	2.3
85.02944	2.1
98.19848	4.3
109.20338	1.3
119.43524	1.7
128.00237	1.4
135.04543	1.8
167.34276	1.3
171.10272	13.6
176.22702	1.3
179.03529	1.3
191.05597	17.8
191.38017	1.4
244.73611	1.3
267.36166	1.3
277.21710	14.2
295.22781	20.7
296.23135	2.0
317.21024	1.9
353.18579	100.0
354.18887	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	353.2117
Annotation	Guayulin B
Peak:m/z	Relative Intensity
60.58934	0.3
69.30479	2.2
69.30900	1.1
79.95709	0.8
96.96000	5.1
98.19911	0.9
110.47433	0.4
122.97572	0.5
163.11269	91.3
164.11584	6.1
177.09187	69.9
178.09526	4.1
191.05585	0.5
222.08928	0.4
267.91293	0.4
353.21149	100.0
354.21512	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	354.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47503	0.4
58.02965	1.0
59.01370	2.5
61.98814	1.0
64.18798	0.4
71.01357	1.1
73.02946	0.9
74.57896	0.4
80.00078	0.4
85.02943	0.8
95.05004	0.7
96.95991	0.5
98.06110	0.5
101.02419	0.7
102.05604	0.8
113.02469	0.9
114.09235	8.1
115.92834	0.5
116.07162	100.0
117.07494	2.9
119.04986	0.6
123.04512	0.8
128.03525	1.2
133.02893	0.5
134.30406	0.5
135.04462	0.5
137.06070	0.6
137.52591	0.5
146.04665	0.5
149.09619	0.6
151.07596	0.8
158.06854	0.5
158.08200	10.9
158.09528	0.6
159.08426	0.5
161.02422	0.9
175.02498	0.5
177.05496	0.4
179.03526	0.8
191.05609	1.9
192.05913	1.6
233.36639	0.5
237.07724	0.5
281.10318	0.8
302.28003	0.5
310.16553	36.7
311.16904	3.1
336.14612	0.8
354.15524	15.1
354.19070	1.0
355.15854	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	354.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
58.02964	0.7
72.45272	0.2
81.03439	0.6
83.01389	0.2
83.05020	0.9
95.05018	0.4
97.06578	0.4
109.06606	0.6
128.10799	1.8
130.08728	100.0
131.09068	3.6
135.08144	0.2
142.99786	0.4
151.11249	0.8
154.99864	3.5
155.10716	0.3
179.10754	1.0
187.86205	0.3
223.09766	0.5
230.15222	0.3
230.19171	0.4
236.93640	0.3
248.20201	1.5
274.18021	0.7
292.19156	3.8
293.19458	0.3
310.20206	19.7
311.20587	1.8
318.16821	0.5
336.18109	4.0
337.18408	0.3
344.80719	0.3
354.19180	40.5
355.10349	0.4
355.19513	5.0
358.29556	0.3
370.65182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74920	0.4
58.02965	0.8
62.77667	0.4
81.03465	0.7
82.39684	0.4
83.05026	0.8
93.03426	0.4
104.03501	0.6
109.58340	0.5
128.10820	2.1
130.08723	100.0
131.09076	3.6
135.02975	0.8
138.75941	0.4
139.00349	0.5
149.09686	0.6
151.11339	0.6
173.04489	0.7
179.10774	1.7
181.08725	0.6
193.08681	1.7
194.15558	0.6
223.09674	0.5
228.93581	0.5
248.20178	3.2
272.53391	0.4
292.19281	3.3
310.20200	15.8
311.20432	1.6
336.18158	3.3
354.19171	37.9
355.10327	2.9
355.19446	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	354.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82908	0.6
58.02967	1.5
59.01367	5.2
69.34162	1.7
69.34579	2.7
75.00871	2.3
78.69766	0.5
81.03434	0.5
83.05015	4.6
95.05013	0.5
97.06571	1.2
109.06567	1.3
128.10799	3.8
129.11162	0.5
130.08722	100.0
131.09070	3.9
132.30881	0.5
135.08156	1.2
137.09692	0.6
154.08754	1.4
161.09700	1.0
163.07585	0.5
172.09738	3.4
179.10767	4.6
181.08684	21.3
182.09065	0.9
188.28670	0.5
204.84076	0.6
223.09729	3.2
238.09262	0.5
310.20105	1.3
336.17969	0.8
354.19165	69.0
355.19519	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	355.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	2.2
59.01377	37.4
65.53028	1.8
70.94873	4.8
71.01380	16.3
73.02946	4.4
83.01392	2.3
84.43367	2.3
85.02952	2.9
89.02449	12.2
93.03459	2.6
101.02435	26.3
113.02422	6.5
117.03468	20.7
119.03514	12.8
119.05013	98.6
120.05362	5.7
132.05862	2.6
133.02957	7.8
136.91486	1.8
143.03473	2.8
145.02942	100.0
146.03278	6.6
147.04581	2.0
159.04486	7.1
160.01680	5.5
161.06067	9.8
163.03996	99.8
164.04326	5.0
169.90697	1.8
175.04019	7.5
177.01930	3.4
177.05545	2.8
187.03990	71.5
188.04381	5.4
191.05658	4.0
191.07127	9.7
192.05939	3.7
192.98416	1.9
205.05023	7.9
217.05017	15.9
235.06104	18.8
236.06703	2.2
247.06078	2.1
265.07126	12.8
295.08109	1.9
355.10233	3.8
379.44241	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	355.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65482	0.4
59.01373	9.8
69.52692	0.4
71.01376	6.2
71.37701	0.7
72.99306	0.8
73.02921	0.4
85.02952	1.4
87.00863	1.1
89.02434	3.7
95.01370	0.5
96.95985	0.5
98.20338	0.6
101.02437	2.9
110.00951	0.4
113.02426	2.3
117.03439	1.0
119.03537	0.5
119.04984	2.0
132.02147	14.0
133.02412	0.4
134.03731	11.1
145.02951	1.5
147.04518	1.2
149.06056	2.2
150.03169	1.0
151.03972	2.5
160.01634	70.4
161.01994	3.0
161.04533	0.7
163.03981	1.9
173.06030	0.5
173.08170	0.4
174.03041	0.6
175.03972	100.0
176.04356	6.9
178.02711	0.8
191.05597	0.8
191.07098	2.8
192.05952	0.8
193.04959	20.5
194.05434	1.2
201.74619	0.5
202.02704	0.9
205.05110	0.6
207.06581	0.6
217.05023	6.1
218.05423	0.6
232.49611	0.4
235.06006	3.0
265.07074	2.2
295.08127	1.8
295.11157	0.5
355.10303	8.8
356.10388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20350	0.5
55.73265	0.4
59.01372	8.7
59.70988	0.4
68.01446	0.4
69.37634	2.0
69.38062	1.7
71.01376	4.2
72.99296	0.6
73.02942	0.7
73.39906	0.4
75.00852	0.8
85.02936	1.7
87.00880	0.8
89.02439	3.6
89.03949	0.5
92.77672	0.5
101.02446	1.9
113.02425	1.3
117.03473	0.6
119.03515	0.8
132.02158	15.1
134.03720	13.5
147.04466	0.5
149.06078	2.8
160.01633	66.1
161.01971	3.7
161.04599	0.7
163.04031	0.9
173.04492	0.5
174.01674	1.4
175.03972	100.0
176.04315	7.2
178.02592	1.0
181.08681	1.5
187.03848	0.5
191.05589	0.7
191.07129	2.5
193.04987	23.9
194.05420	1.3
197.96786	0.5
202.02698	1.0
207.06622	0.8
209.61420	0.5
217.04996	5.2
218.05447	0.7
221.08069	0.5
235.06161	3.4
247.45206	0.5
265.07150	1.6
295.08240	2.6
355.10223	9.6
356.10678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05954	1.5
59.01370	33.1
60.17220	2.0
62.45237	1.6
67.55347	1.7
68.01582	1.7
71.01375	17.0
71.62320	2.2
72.99295	2.3
73.02936	2.4
75.00849	2.3
83.01374	2.0
85.02920	9.7
87.00868	2.2
89.02434	9.9
89.03838	1.8
91.45732	1.9
93.03471	3.9
101.02453	12.0
107.05038	2.5
113.02477	3.1
115.00354	1.9
117.03429	2.9
119.03471	2.6
119.05009	5.7
121.02915	2.7
121.34355	1.6
123.04505	2.8
132.02151	12.7
133.02931	3.7
134.03732	62.3
135.04433	5.9
147.04523	7.2
148.05276	5.6
149.02469	2.2
149.06047	16.8
151.03979	2.7
160.01633	78.3
161.02023	3.8
163.03975	10.5
173.04521	12.1
173.05882	2.4
174.01654	14.8
175.03975	100.0
176.04741	18.1
177.01888	2.6
178.02650	5.5
179.03601	2.2
179.05582	8.7
179.74854	1.9
181.04979	1.8
181.08769	2.7
191.05566	2.3
191.07104	23.8
192.04269	2.3
193.05019	71.0
194.05344	3.7
207.02937	5.8
207.06561	5.4
217.05006	6.3
220.03629	2.3
223.05905	1.9
235.06085	50.3
236.06374	4.4
265.07141	30.4
277.00879	1.9
285.87253	1.8
295.08200	55.4
296.08481	6.4
355.10226	26.4
356.10461	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	355.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
60.21321	0.8
69.90449	5.2
70.53101	0.8
71.01377	1.4
73.02946	3.1
74.10711	0.9
75.00880	1.5
79.66317	0.8
83.01376	2.6
85.02938	4.4
87.00857	2.8
99.00865	1.2
101.02401	1.0
115.00375	5.3
134.03745	2.2
135.04451	0.9
164.04718	1.2
174.01669	53.0
175.02394	4.3
179.07120	3.3
181.05051	2.3
193.04944	2.0
209.08281	1.1
221.08165	1.5
237.07661	1.8
265.07089	6.2
295.08185	9.7
355.10294	100.0
356.10645	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	355.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90781	1.4
59.01374	32.8
71.01372	16.1
71.34328	1.9
72.99305	2.7
73.02942	4.4
83.01377	2.2
85.02944	2.3
89.02448	11.9
89.02956	2.3
93.03446	3.7
99.00863	1.4
101.02438	22.9
111.00874	1.7
113.02434	6.7
117.03460	25.7
118.03849	1.5
119.03530	8.9
119.05011	96.4
120.05350	4.7
121.02931	2.5
131.05019	1.8
132.05836	2.7
133.02936	3.6
133.06604	3.4
134.03722	5.9
143.03561	2.0
145.02936	100.0
146.03307	5.5
149.06094	1.8
159.04526	6.3
161.06059	6.3
163.03993	99.2
164.04356	5.2
166.56329	1.4
173.05994	3.4
175.04001	2.4
177.01959	3.5
177.05537	3.0
187.03979	67.9
188.04323	3.3
189.05513	2.5
191.05582	2.8
191.07138	10.1
192.07515	1.6
193.05034	6.0
205.05054	6.0
217.05028	16.8
235.06087	19.7
247.06163	2.2
259.05988	1.4
265.07144	13.2
355.10489	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51672	1.5
55.01860	1.9
57.01246	1.5
59.01368	10.1
65.92139	1.3
67.01891	8.9
68.99794	2.3
69.03442	5.0
71.01373	9.1
71.60903	1.6
72.99291	5.4
73.02920	4.5
75.00849	10.4
77.65346	1.6
80.02240	3.1
80.02669	31.3
81.02988	2.3
81.03438	8.9
83.01372	6.7
83.05008	2.2
85.02936	9.7
87.00840	5.0
89.02409	2.2
93.03445	25.5
95.01387	9.1
96.99319	9.9
97.06561	1.5
99.00845	2.1
99.95579	1.9
107.05010	3.1
109.02932	6.4
111.00863	4.5
111.04478	4.3
113.02455	4.0
113.83251	1.7
117.01921	5.3
121.06611	3.2
123.08154	3.6
130.08719	28.4
131.09055	4.5
133.02939	4.5
135.02972	29.1
135.04498	15.4
137.02406	6.2
137.09712	8.0
139.00375	9.3
142.99837	15.9
145.01512	1.7
149.06009	2.3
149.09697	10.3
155.03455	4.5
160.87532	1.7
161.02394	10.5
165.09143	3.9
170.04608	3.0
173.00919	3.0
173.04526	100.0
174.04910	3.1
177.09186	1.8
179.03458	22.5
181.08691	39.7
182.09038	3.2
185.11795	15.4
193.08672	65.6
194.09006	6.4
207.10251	1.7
209.08200	2.8
219.10188	2.1
221.08231	12.0
225.09227	11.0
233.08127	2.0
235.09711	1.7
237.07556	1.6
248.24361	1.9
249.07597	4.5
249.11278	3.0
251.09225	2.4
259.22388	1.8
263.09131	5.5
277.07169	5.6
293.10251	3.8
311.11230	2.7
311.20630	2.9
330.89383	1.7
337.09372	1.8
355.10260	76.2
355.14087	4.4
355.19101	8.4
356.11630	37.0
356.16986	8.5
356.20798	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	355.1183
Annotation	(+)-Xanthoxylol
Peak:m/z	Relative Intensity
70.71326	1.1
71.62716	1.3
85.02919	1.1
98.89288	1.1
109.02962	1.5
119.05016	1.6
121.02990	3.0
122.03713	8.4
124.01720	1.8
130.04237	1.3
137.02415	2.1
143.04982	5.8
146.03696	2.4
159.04462	2.1
160.05269	10.0
161.06058	19.9
162.06796	2.5
171.04503	4.5
172.05280	33.6
173.05760	3.4
174.03174	2.7
175.03978	6.6
175.07649	7.1
187.07597	12.5
189.04213	1.9
189.05548	75.4
190.06328	100.0
191.06711	7.9
191.08272	1.5
205.05223	3.0
205.08669	78.0
206.09021	5.5
208.42302	1.3
281.08206	2.8
309.07489	2.1
310.08374	4.4
325.10745	2.9
340.09531	2.7
355.11829	32.7
356.12009	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	355.1241
Annotation	galactopinitol A
Peak:m/z	Relative Intensity
55.01875	4.1
56.68939	2.0
57.03439	11.2
58.00592	2.5
59.01372	76.5
61.98821	16.5
69.61989	9.2
69.62410	5.7
69.83357	1.8
70.76402	2.2
71.01377	50.3
72.99295	3.7
73.02941	10.0
75.00867	5.3
83.01369	6.1
85.02941	100.0
85.07686	2.3
86.03269	3.0
86.21101	2.2
87.00871	6.6
88.75108	1.9
89.02435	44.1
95.05006	9.4
97.02945	3.0
98.19891	3.8
99.00855	4.6
101.02436	33.5
111.00873	2.9
112.98776	3.6
113.02463	20.9
115.04015	4.0
119.03498	16.1
119.04989	3.3
120.65242	2.6
121.02921	2.6
121.03765	2.2
129.01907	4.0
131.03462	7.4
147.02972	6.1
161.04515	12.9
163.03954	3.2
173.04570	4.7
175.06065	5.9
179.05568	9.7
181.07141	9.6
183.93449	2.2
191.01974	19.3
191.05527	4.7
192.05971	4.4
193.06024	5.6
209.03033	22.6
221.22818	2.0
223.08128	7.1
235.08237	15.8
271.32135	2.1
355.12524	68.9
356.12689	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	355.1239
Annotation	galactopinitol A
Peak:m/z	Relative Intensity
54.38267	1.5
55.01866	2.3
57.03429	5.4
58.00595	2.2
59.01374	56.1
60.01710	1.6
65.56858	1.5
69.30689	11.7
69.30994	1.7
71.01381	29.2
72.99313	4.4
73.02946	13.9
83.01387	3.1
83.05016	4.0
85.02948	20.3
87.00868	2.8
89.02440	28.2
93.03455	23.1
93.82682	1.7
95.01388	2.4
95.05018	15.4
99.00852	3.6
101.02434	22.6
111.00902	5.2
111.04511	10.6
112.98703	1.6
113.02428	12.2
113.06101	2.8
119.03479	13.8
121.02934	7.9
129.01915	2.8
131.03487	6.1
137.02429	6.7
143.03525	3.8
149.04544	2.3
155.03481	5.9
161.04506	1.6
162.84633	1.7
163.06032	2.8
170.01183	1.7
173.04533	58.7
174.04837	2.3
175.06123	11.8
179.05576	3.6
181.05069	6.0
181.07144	15.3
191.01833	1.9
191.05635	3.5
355.12424	100.0
356.12704	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	355.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
59.01377	3.6
65.86534	0.7
67.01877	5.6
67.83471	0.6
68.99822	0.8
69.03439	2.9
69.80920	3.1
71.01373	4.5
73.02957	0.9
73.79573	0.6
75.00856	3.2
80.02666	8.8
81.03003	0.6
81.03435	2.8
83.01382	2.4
83.05025	1.9
85.02924	3.3
87.00877	0.8
87.24233	0.7
89.02439	1.0
93.03444	26.5
94.03790	1.5
95.01389	2.9
95.05020	0.9
96.65591	0.6
96.99316	2.9
98.02469	0.6
98.06125	1.4
99.00885	1.2
107.05005	1.4
109.02934	2.8
111.00866	1.9
111.04507	5.4
112.98809	0.6
113.02436	2.0
114.05624	1.2
117.01929	2.2
119.08616	3.5
121.06586	1.9
123.08158	1.3
130.08716	9.4
133.02916	1.0
135.02965	8.6
135.04477	5.7
135.08160	1.0
137.02417	5.0
137.09732	5.6
139.00331	2.2
142.05038	0.6
142.99821	3.5
149.09659	3.6
150.03223	0.7
154.99825	1.7
155.03479	4.4
161.02460	2.8
163.07681	0.9
164.03888	3.2
170.04524	0.9
172.09766	1.1
173.04518	100.0
174.04866	4.6
177.09123	0.6
179.03496	6.3
181.08675	24.7
182.09047	1.2
185.11807	2.0
193.08670	17.8
194.08969	0.6
207.73132	0.6
219.10236	0.7
221.08102	3.8
225.09174	2.6
233.08176	1.0
249.07588	1.2
249.11255	1.0
263.09155	1.2
271.69833	0.6
277.07166	1.7
293.10217	0.8
295.08127	0.6
311.11069	0.7
311.15326	0.7
355.10223	22.9
355.14081	3.9
356.11597	10.8
356.15787	3.1
356.20667	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
57.03446	6.4
58.00576	0.9
59.01373	29.2
67.01883	4.8
69.03447	2.1
69.65070	0.7
71.01373	42.8
71.03194	0.6
71.17866	1.8
72.01700	1.6
72.99318	1.8
73.02943	13.6
75.00845	0.8
81.03422	1.4
83.01373	5.0
85.02937	18.4
87.00847	2.4
89.02436	9.6
93.03441	26.2
95.01376	4.9
97.02957	1.0
99.00845	5.1
100.30025	0.8
101.02431	20.7
109.02909	1.0
111.00856	2.9
111.04522	5.0
113.01679	1.4
113.02433	19.1
119.03501	4.4
125.02374	0.8
127.79604	0.7
129.01979	0.9
130.30684	0.8
131.03528	0.9
137.02466	5.0
143.03442	2.0
155.03481	4.6
159.02904	3.2
161.04535	9.4
169.47562	0.8
173.04520	100.0
174.04929	4.5
181.12305	21.3
182.12544	1.6
193.15910	1.7
199.13327	1.0
203.80444	0.7
355.17557	5.4
355.21225	1.5
355.24872	1.3
356.18002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2273
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.69022	1.2
59.01369	2.4
59.71138	1.2
61.98820	1.6
70.75040	3.7
79.39333	1.2
85.02956	3.4
86.18810	1.3
107.05040	1.6
109.02925	2.2
122.03716	11.2
127.07619	1.5
135.04512	21.5
136.01625	1.9
147.08134	4.4
148.05241	1.6
149.06094	2.1
149.09691	8.4
149.25214	1.3
151.07613	3.9
154.02744	2.1
161.09644	8.5
163.07631	4.5
163.11259	51.2
164.08415	15.7
164.11565	4.6
165.09184	9.3
177.09187	76.7
178.09926	19.6
179.10748	75.9
180.11102	5.3
183.10170	2.4
187.11298	1.8
191.10753	11.6
193.08649	8.4
265.12061	1.8
280.14615	3.2
281.15045	1.3
298.15683	51.4
299.15936	6.7
309.22116	2.1
337.17612	2.8
337.21683	50.2
338.22064	9.4
340.20370	93.8
341.20764	13.1
355.06332	1.4
355.22717	100.0
356.23059	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	355.2848
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
59.01374	2.6
61.98816	9.6
80.48491	1.6
81.64611	1.5
84.71484	1.7
98.20661	3.2
115.71658	1.5
118.85220	1.4
136.90480	1.8
229.03944	1.6
240.82211	1.6
253.84476	1.5
276.42673	1.5
284.46140	1.8
293.28464	64.6
294.28793	7.1
337.27402	19.7
338.27765	2.2
355.28497	100.0
356.20444	2.3
356.28796	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	356.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
56.02198	1.1
57.03441	12.9
58.03788	2.9
59.01374	9.8
60.01725	0.8
61.98827	1.0
67.01881	0.9
70.74681	1.0
70.75009	1.7
71.01371	5.2
72.01695	1.0
72.99303	2.2
75.00855	2.8
83.01379	1.5
84.02159	2.0
85.02942	100.0
86.03278	32.2
87.00885	1.4
87.03363	1.6
89.02426	1.7
93.03444	1.6
93.88843	0.8
103.00366	2.2
106.52650	0.8
111.00887	1.3
112.39600	0.7
114.61496	0.7
119.05048	2.3
120.05341	3.3
121.02976	0.9
125.75351	0.9
129.01944	3.9
130.02266	2.5
136.01657	1.0
141.83276	0.8
147.02980	7.8
147.04179	0.9
148.03334	3.9
151.04010	1.0
162.58110	0.8
163.03967	3.6
164.04352	2.6
170.40845	0.8
173.04463	2.1
174.01579	1.2
174.04893	0.9
191.01961	17.7
191.03630	1.6
191.05617	3.7
192.02281	12.0
192.05960	2.3
193.02454	1.8
193.06133	2.1
194.06320	2.6
195.06602	3.2
209.03006	17.6
210.03317	10.1
211.03479	2.3
235.91594	0.9
352.65881	0.8
356.10654	3.9
357.12259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.153
Annotation	CHEMBL376077
Peak:m/z	Relative Intensity
58.02959	1.9
59.01356	1.9
60.97508	5.0
63.96223	10.7
71.05016	1.7
72.00900	5.5
74.02461	11.5
76.97013	11.2
77.00661	1.8
79.53855	1.1
79.95732	11.8
84.04533	3.4
86.00709	8.4
98.06100	29.1
99.06406	1.5
100.00378	3.8
100.04026	13.8
112.04060	6.7
115.53925	1.1
116.40728	1.2
121.02935	16.0
130.08722	7.2
142.05064	4.9
149.01483	2.4
162.05887	6.5
164.03845	90.3
165.04143	2.8
165.12793	4.3
196.06053	6.6
236.12840	3.7
247.53825	1.2
248.16505	4.3
273.96799	1.2
292.15451	1.9
341.13101	5.9
356.15317	100.0
356.20038	4.4
357.15762	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	356.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70546	0.6
59.01370	1.0
61.98824	100.0
70.86079	0.6
70.93753	1.9
92.42042	0.6
105.86859	0.7
119.09725	0.6
121.02927	1.0
132.60629	0.7
137.12668	0.6
173.04575	1.2
211.96230	0.7
239.13016	0.7
248.51596	0.7
254.40286	0.8
280.50836	0.6
311.40842	0.7
327.12445	1.0
357.13483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.3
65.97668	1.0
67.01861	1.5
69.03458	2.8
69.41492	4.6
69.41913	3.6
71.01358	3.3
75.27779	1.2
83.01344	1.6
85.02946	3.6
93.03450	10.9
96.04543	9.0
98.02466	7.3
99.50771	1.0
109.02961	1.9
111.00876	1.2
111.04518	2.2
113.02448	2.4
121.02936	2.1
122.03690	1.5
133.02942	2.7
134.03711	1.9
135.04556	8.3
136.01640	15.8
137.02429	4.0
139.11330	6.6
142.05078	11.0
144.06664	1.5
151.04002	21.2
155.03464	2.0
161.02429	6.2
163.04028	1.6
170.04575	27.1
173.04524	43.4
173.06007	2.3
175.03918	1.9
177.05617	2.4
179.03461	11.8
183.10184	8.6
185.11804	100.0
186.12163	6.4
189.05556	1.4
207.08083	1.4
225.09189	4.9
253.08575	2.0
327.12280	6.8
342.10907	3.8
356.11969	13.4
356.17078	70.6
356.62018	8.8
357.09418	1.9
357.13129	10.8
357.17712	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	356.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.3
65.97668	1.0
67.01861	1.5
69.03458	2.8
69.41492	4.6
69.41913	3.6
71.01358	3.3
75.27779	1.2
83.01344	1.6
85.02946	3.6
93.03450	10.9
96.04543	9.0
98.02466	7.3
99.50771	1.0
109.02961	1.9
111.00876	1.2
111.04518	2.2
113.02448	2.4
121.02936	2.1
122.03690	1.5
133.02942	2.7
134.03711	1.9
135.04556	8.3
136.01640	15.8
137.02429	4.0
139.11330	6.6
142.05078	11.0
144.06664	1.5
151.04002	21.2
155.03464	2.0
161.02429	6.2
163.04028	1.6
170.04575	27.1
173.04524	43.4
173.06007	2.3
175.03918	1.9
177.05617	2.4
179.03461	11.8
183.10184	8.6
185.11804	100.0
186.12163	6.4
189.05556	1.4
207.08083	1.4
225.09189	4.9
253.08575	2.0
327.12280	6.8
342.10907	3.8
356.11969	13.4
356.17078	70.6
356.62018	8.8
357.09418	1.9
357.13129	10.8
357.17712	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	356.1864
Annotation	Hetidine
Peak:m/z	Relative Intensity
54.22866	0.5
57.03426	1.1
58.02971	22.2
59.01365	1.2
60.93159	0.5
70.50804	0.5
71.01384	1.1
71.61397	0.5
72.00903	8.1
82.02978	1.7
83.01403	0.7
85.02956	0.9
85.38240	0.5
85.58449	0.5
87.41954	0.5
89.02435	0.6
91.05499	0.9
91.80403	0.5
95.05004	1.1
97.06584	0.5
97.11658	0.5
101.02438	0.9
103.05569	0.5
109.06573	1.1
110.06100	0.7
113.02421	0.7
119.04964	0.7
121.02921	1.8
125.09707	0.7
135.32039	0.6
147.04506	34.9
148.04831	1.3
151.03976	0.7
162.09190	0.6
164.07143	100.0
165.07509	5.8
165.12747	1.2
193.83849	0.5
203.07036	0.5
212.72881	0.5
356.18628	48.1
357.13559	1.1
357.18884	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	356.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.0
61.98823	100.0
84.30142	4.3
110.90491	4.7
121.02983	6.2
136.01607	8.1
151.03979	6.0
229.53973	4.4
311.84839	4.8
357.13397	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	356.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65605	17.2
59.01366	27.9
61.98814	28.3
69.47470	32.1
69.47877	100.0
71.92132	16.1
78.92798	16.4
80.78053	15.2
83.01391	27.8
133.65810	18.8
136.31267	17.0
198.80222	15.9
320.11929	16.7
321.24338	20.9
327.11823	16.5
357.13245	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0611
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01090	0.6
59.01372	8.2
70.73519	0.7
71.01357	0.4
73.02942	0.3
74.02469	1.1
79.25162	0.3
82.56812	0.3
84.80803	0.4
89.02447	0.3
93.03471	0.4
98.07402	0.3
102.28073	0.4
116.03476	0.4
119.94863	0.3
121.02940	100.0
122.03259	4.3
136.01633	0.7
151.04012	0.6
165.01900	0.9
178.05081	0.6
180.05777	1.6
181.06564	7.0
182.06894	0.4
195.06445	0.6
225.05547	5.4
235.56224	0.3
285.20584	0.8
313.07120	8.7
314.07422	1.1
314.19714	0.5
327.11914	0.4
357.06110	37.3
358.06512	4.7
358.22238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76418	1.5
59.01371	15.0
71.01375	2.3
71.38633	1.8
76.26611	1.4
85.02956	2.8
87.00827	1.4
89.03972	1.9
93.03466	5.6
97.02912	4.1
109.02957	2.7
111.04491	3.6
117.03465	8.5
119.05016	83.1
120.05351	4.0
121.02950	2.4
121.10213	2.3
130.08739	7.6
133.02902	3.5
134.03723	99.7
135.04607	11.1
137.02441	4.4
145.06523	2.7
146.03722	2.9
147.04489	6.3
148.05283	7.5
149.06055	9.7
153.09193	4.8
155.03531	1.9
159.02953	2.1
161.02431	1.7
161.06047	4.7
163.03989	74.5
164.04344	5.6
166.08760	2.6
173.04568	10.7
174.38693	1.8
175.03954	1.6
177.01898	5.0
178.02667	8.2
178.83456	1.5
179.03470	9.4
183.10228	53.6
184.10513	1.9
191.05573	6.2
193.05026	55.8
193.24643	1.7
194.05405	2.5
195.06650	7.3
197.08165	6.8
231.65541	1.6
238.06700	1.6
245.02380	1.7
251.07230	1.8
252.07983	2.0
253.08667	9.7
254.09404	8.1
269.11578	2.3
272.76306	1.6
295.09875	1.9
313.07413	3.0
313.10800	53.0
314.11172	4.7
323.16116	9.6
327.12283	6.6
333.52243	2.1
340.18677	6.7
357.09747	100.0
357.14929	5.3
358.10071	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	357.0973
Annotation	Cimiracemate B
Peak:m/z	Relative Intensity
52.58652	1.2
59.01377	13.8
69.03444	3.2
71.01362	3.7
71.62388	1.6
85.02930	1.8
85.80431	1.3
89.03933	2.5
93.03445	5.8
97.02968	1.9
106.04262	2.3
108.02163	1.4
109.02941	3.4
117.03458	8.5
119.05015	90.0
120.05369	3.7
121.02942	1.9
121.10271	1.9
123.04500	1.6
127.50047	1.3
130.08755	10.2
132.05736	1.4
133.02943	1.7
134.03726	100.0
135.04431	5.8
136.01640	2.7
137.02452	3.3
138.09209	3.4
139.11293	2.2
140.07150	1.5
143.04987	1.7
143.82970	1.5
146.03670	3.7
147.04501	8.3
148.05243	5.4
149.06073	9.7
151.03979	1.7
153.09184	7.5
155.03477	2.3
159.02943	3.2
159.04518	1.5
161.06081	4.9
163.03989	75.7
164.04349	4.1
165.09085	1.3
166.08719	4.6
173.04507	9.8
175.04112	1.3
177.01921	3.0
178.02682	7.4
179.03523	7.3
179.07272	1.6
183.10240	60.4
184.10555	3.8
190.06313	1.6
191.05560	5.5
191.07155	2.0
193.05031	56.1
194.05450	2.3
195.06651	8.2
197.08141	7.3
226.06348	1.8
243.17029	2.6
251.07288	1.3
253.08675	13.1
254.09447	5.5
261.15985	1.5
269.11798	6.3
313.10764	47.1
314.11145	6.2
323.16089	11.3
327.12344	10.1
328.12674	1.5
340.18817	6.6
351.28381	1.4
357.06177	3.5
357.09735	86.6
357.14929	5.5
358.10037	13.3
358.19843	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	357.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61127	9.3
59.01371	27.2
68.34628	9.2
69.74266	58.2
71.01380	22.4
73.02922	13.1
75.00853	20.6
85.02924	9.3
87.00868	52.9
89.02421	21.8
98.19950	15.0
101.02428	9.3
105.01905	14.5
108.90169	28.6
110.89879	10.9
113.02465	13.3
165.03961	64.9
274.94864	11.1
281.08884	10.1
336.11505	8.8
357.10281	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	357.1185
Annotation	Synargentolide D
Peak:m/z	Relative Intensity
52.49255	1.1
55.01862	2.4
58.00586	1.6
59.01373	90.3
61.67067	1.0
69.03445	1.8
69.88716	2.2
69.89124	3.0
70.69648	1.0
71.00983	2.4
71.01376	50.1
73.02937	75.7
74.75668	1.1
79.69695	1.1
81.03437	1.1
83.01376	16.4
85.02950	8.5
87.00867	2.6
87.53125	1.2
89.02435	17.1
93.55217	1.1
93.83564	1.1
95.01362	2.6
99.00879	2.3
101.01766	2.2
101.02441	45.1
102.02784	1.7
113.02434	17.7
117.96691	1.2
119.03489	7.6
123.04505	4.2
125.02454	1.9
131.03461	4.2
134.03763	1.6
135.04514	100.0
136.04819	5.0
137.06085	2.4
149.04581	1.8
153.05537	3.0
160.76091	1.0
161.04507	4.9
165.86137	1.2
182.22826	1.2
190.10928	1.3
210.92970	1.2
297.09756	39.2
298.10086	4.4
305.87604	1.3
315.10815	92.1
316.11099	11.4
357.11850	51.7
358.12207	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	357.1185
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01361	3.2
70.85288	0.7
71.01374	2.1
73.12067	0.7
85.76508	0.7
93.03460	1.0
99.04493	0.9
101.02407	1.1
111.04536	0.7
120.99631	1.8
121.02965	0.7
124.01697	1.7
127.04021	1.4
130.08752	0.9
134.03728	2.1
135.04532	1.3
136.01643	1.5
137.02382	2.2
137.05997	0.8
139.07692	1.5
145.02943	0.8
147.04506	0.9
150.06863	6.5
151.03979	8.8
161.02414	1.1
162.03207	23.1
163.04018	4.7
164.08369	3.8
165.05537	0.9
165.09186	2.9
170.80772	0.7
173.04517	2.3
176.08406	5.0
177.05537	5.8
177.09192	3.4
179.03453	5.7
179.07112	2.6
180.04266	52.7
181.04611	3.0
183.06630	1.2
193.04935	1.2
194.05576	0.7
194.09473	9.3
195.06602	100.0
195.10226	16.9
196.05504	0.8
196.06987	6.5
196.10574	1.3
209.04279	0.8
237.57050	0.7
286.63901	0.7
327.12390	2.1
357.06946	0.6
357.11636	5.3
358.19852	1.3
365.44461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1338
Annotation	(-)-Dehydrodiconiferyl Alcohol
Peak:m/z	Relative Intensity
59.01376	12.2
62.79692	1.4
71.01382	11.9
71.62724	2.1
73.02931	1.9
83.01357	1.7
85.02930	5.3
87.00848	1.6
89.02427	6.5
93.61469	1.5
101.02428	10.9
108.02167	1.5
109.02920	17.1
113.02438	1.6
117.03438	2.9
119.03455	1.7
119.05047	1.7
120.99625	2.0
121.02940	3.6
122.03790	1.9
132.02164	2.8
134.03722	60.3
134.06114	1.6
135.04256	2.9
136.01651	15.5
137.02374	1.6
146.03690	5.3
147.04491	2.6
149.06047	8.7
150.06818	1.5
151.03964	11.7
153.05539	1.7
159.04420	1.7
160.01651	22.1
160.05292	2.8
161.06050	4.9
163.06110	1.9
171.04543	2.3
172.05225	4.1
173.04500	4.0
175.03969	36.0
176.04712	7.8
180.04208	1.9
181.07117	9.2
189.05559	13.5
190.06320	8.2
191.07086	6.9
193.05034	100.0
194.05423	6.5
195.06645	7.3
207.02782	1.7
209.04372	2.0
234.06395	1.6
251.07030	6.1
263.06961	2.2
266.05841	2.6
267.06546	6.5
268.07108	1.6
279.06619	11.7
293.08157	2.3
294.09143	7.3
297.07776	3.5
297.11090	3.5
309.11337	2.0
312.09961	16.3
313.10486	1.7
319.13736	2.6
327.12323	92.9
328.12686	10.8
357.12131	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	357.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88800	0.6
57.03409	0.6
61.96142	0.7
63.74826	0.7
83.05006	1.0
85.02962	0.6
93.03453	2.8
96.20528	0.5
96.60357	0.6
99.04503	1.4
104.11198	0.5
109.02917	0.7
111.04528	2.8
121.10255	0.7
133.02921	2.1
139.11266	4.6
153.09201	1.3
155.03522	2.9
165.09152	2.2
173.04549	5.8
183.10236	100.0
184.10542	7.1
264.08282	0.6
285.03931	1.9
297.03903	3.6
298.04745	2.4
311.05646	0.7
327.12369	1.5
339.05237	1.0
357.06131	12.4
357.10040	0.9
357.15457	12.0
358.06390	1.2
358.16116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04278	0.3
52.08104	0.3
56.50569	0.3
57.03425	0.9
59.01358	1.0
60.99292	0.5
63.98570	0.3
67.01878	2.5
69.03439	1.7
71.01373	2.2
75.06853	0.3
79.95369	0.3
81.03454	0.4
83.04998	0.8
90.47436	0.3
93.03443	16.0
94.03796	0.5
104.32092	0.3
109.02930	0.4
111.00845	1.0
111.04497	4.1
113.06058	0.5
127.03944	0.3
137.02409	4.6
137.03378	0.5
139.11235	2.0
142.46069	0.3
155.03474	4.9
173.04518	100.0
174.04851	5.1
183.10229	8.9
184.10558	0.8
229.08771	0.5
357.15491	7.9
358.16031	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.155
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
57.03444	4.6
59.01362	3.4
61.98822	0.8
62.13710	0.6
66.31737	0.7
66.36950	0.8
69.03450	12.1
69.33768	0.6
69.85370	2.9
71.01373	1.9
71.05007	2.8
73.02928	1.1
73.13873	0.6
83.05029	1.3
87.00870	1.0
89.02460	0.7
93.03441	3.8
93.26859	0.6
95.23208	0.6
101.02418	0.9
111.04537	3.6
111.08144	3.0
113.06069	1.6
123.08120	0.9
139.11275	16.5
140.11609	0.8
155.03473	4.7
159.10229	1.8
173.04529	10.8
183.10240	100.0
184.10573	7.3
231.58588	0.7
273.78983	0.8
321.15509	7.0
322.15894	1.1
327.12390	1.7
337.26306	0.7
357.11826	0.6
357.15564	14.0
358.15799	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86754	0.5
70.45789	1.5
71.85078	0.5
76.55173	0.6
79.50359	0.5
79.97668	0.5
81.44953	0.6
83.05031	1.1
83.86652	0.5
92.01199	0.5
93.03431	2.4
98.20489	0.6
111.04512	2.1
115.86771	0.5
121.10207	7.2
122.10512	0.6
128.16560	0.5
139.11224	1.0
153.09163	0.8
155.03511	3.7
156.79729	0.5
165.09203	1.4
173.04507	5.7
183.10231	100.0
184.10536	7.9
218.09512	0.5
287.72650	0.6
357.15475	8.7
358.15738	1.2
375.73248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67949	0.4
57.03442	0.9
58.17051	0.3
59.01364	1.3
60.99285	0.4
67.01884	4.0
68.11986	0.4
69.03442	1.0
71.01379	2.8
71.38133	0.4
81.03424	0.8
83.05025	0.7
93.03445	25.7
94.03779	0.9
107.66770	0.4
109.02957	0.8
111.00873	1.2
111.04515	4.2
121.10226	1.1
134.91420	0.3
137.02402	3.9
137.03163	0.3
139.11282	0.7
155.03488	3.8
173.04521	100.0
174.04901	4.7
182.85553	0.5
183.10236	13.6
184.10561	1.2
204.89835	0.4
251.45857	0.4
357.15472	11.1
358.15775	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	357.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.6
58.00574	1.8
59.01372	43.2
63.49396	1.2
63.93135	1.1
67.01873	2.2
67.54762	1.1
71.01374	26.5
71.60874	1.2
72.99319	1.2
73.02930	4.4
74.99086	8.3
75.00857	1.8
76.01706	1.2
80.02644	2.5
80.50459	1.2
83.01366	3.4
85.02946	8.6
87.00861	2.2
89.02432	24.2
92.05043	7.2
93.03454	9.5
94.03757	1.5
95.01377	2.1
95.05023	2.8
101.02441	16.6
102.62901	1.2
109.06509	2.1
113.02442	12.4
116.05013	3.1
118.02933	2.0
118.06623	12.1
119.03497	11.7
121.02136	2.2
121.02946	35.5
122.03243	16.6
131.03506	3.3
133.10168	5.4
135.02948	2.6
135.04466	4.1
136.01591	4.1
137.06007	1.7
142.99825	1.7
143.03453	1.8
144.04547	8.5
147.04512	1.4
148.07680	2.3
150.04407	2.6
150.05582	40.6
150.86137	1.2
151.03972	1.6
151.11250	3.0
160.03999	2.0
161.04672	2.2
163.11305	6.3
173.04488	3.4
174.52022	1.2
176.05714	2.3
176.07143	35.1
177.09196	18.3
179.05524	2.6
181.12357	10.4
182.12671	2.1
183.10182	3.9
194.08197	17.6
195.10197	8.6
195.13835	1.8
203.47624	1.4
207.10143	3.3
211.33545	1.3
220.06104	100.0
223.09576	1.9
223.13322	3.9
225.11278	82.9
226.11708	8.0
261.11353	1.4
267.12286	8.0
268.12576	1.5
279.12393	2.7
307.33624	1.3
327.12277	1.9
357.12741	58.4
358.12558	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	357.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44207	0.3
55.01879	0.6
59.01372	100.0
60.01715	1.5
61.24813	0.3
62.19138	0.3
68.58294	0.3
69.48415	0.7
69.48822	2.2
71.01375	6.8
73.02950	2.1
83.01405	0.8
85.02945	3.4
89.02433	1.8
90.05700	0.3
95.01385	0.4
98.19923	0.7
99.00888	1.0
101.02433	3.6
113.02442	2.4
127.73888	0.3
159.02997	0.6
161.04562	3.2
161.94612	0.3
209.11877	0.7
315.18204	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18412	12.5
52.65742	12.0
59.01377	100.0
68.99815	15.4
69.49080	77.9
69.49490	24.4
71.01376	37.6
89.02441	50.3
101.02436	36.0
110.33533	11.9
113.02454	18.6
119.03522	20.7
119.05008	51.2
121.02995	12.4
137.06081	24.6
151.07571	30.4
163.03989	19.7
168.61293	15.6
179.05623	19.6
195.06554	19.2
207.02948	15.0
262.10797	13.7
299.11392	37.3
351.83890	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	358.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
69.90310	4.2
71.01366	4.4
72.65076	1.0
75.21226	1.2
89.02428	6.7
94.36277	0.9
98.20550	1.9
101.02407	2.9
113.02451	1.2
119.03475	2.1
119.04990	3.1
121.02920	1.3
137.06097	1.2
151.07620	1.2
195.06564	1.7
207.02892	1.7
298.27533	1.5
299.11191	4.8
329.50992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32513	0.4
59.01370	87.7
60.01702	0.8
60.20710	0.6
61.98832	1.5
70.77116	0.9
70.77477	0.9
71.01369	2.9
72.99297	2.1
89.02431	4.1
90.96558	0.5
90.97120	1.3
95.26824	0.4
101.02419	1.7
113.02439	1.3
113.49886	0.4
114.98857	1.9
119.03476	1.7
119.04982	1.9
132.98186	2.0
137.06161	0.7
143.03401	0.6
156.99922	1.7
157.03558	3.4
159.01453	1.7
174.99226	22.0
175.99525	0.6
201.02528	24.7
202.02689	2.6
203.02417	0.5
203.28107	0.4
204.07430	0.5
217.00262	100.0
218.00543	3.6
232.98477	1.0
273.01498	0.6
274.99579	2.2
276.98065	0.8
299.01096	1.3
299.04691	1.0
299.11240	2.3
317.00537	3.8
318.00766	1.1
359.01428	10.2
359.05408	0.9
360.01697	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	359.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71100	0.4
59.01374	6.8
61.98823	1.3
66.16007	0.3
70.33875	0.3
70.88102	0.6
71.01379	2.3
72.99291	0.7
78.95895	0.5
85.02947	0.5
87.00899	0.7
89.02432	2.5
93.03437	0.6
94.02975	0.7
95.01379	0.3
96.96002	0.4
101.02463	1.5
107.05030	0.4
109.02933	2.2
113.02438	0.8
119.03490	1.4
119.05055	0.5
123.00899	1.8
123.04535	0.5
130.08708	0.3
134.03748	1.0
135.04512	100.0
136.04843	5.4
137.02441	4.2
137.06084	0.9
138.02075	2.4
138.03026	2.2
143.03456	0.7
149.02368	0.4
151.04012	0.7
152.03632	0.3
153.01849	0.4
153.05499	0.7
161.04581	0.4
165.05441	0.3
166.99873	0.5
167.03499	0.4
179.03488	1.2
179.05656	0.4
182.02202	1.7
182.05829	0.4
191.05568	0.8
197.04530	4.7
197.08214	0.6
201.02563	0.4
217.00304	1.0
254.68993	0.4
263.39709	0.3
269.69989	0.3
297.09717	0.5
299.11423	0.8
359.05362	0.4
359.09775	7.8
360.09900	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	359.113
Annotation	Barbatic acid
Peak:m/z	Relative Intensity
59.01375	17.1
60.03151	2.2
65.00306	6.8
65.03946	2.9
67.01884	33.6
68.99811	63.2
69.03436	4.6
70.13588	2.3
70.15257	9.6
71.01363	3.5
81.67755	2.4
87.00867	13.2
89.03958	3.0
90.55898	2.1
91.01862	2.7
91.05523	8.5
91.87330	2.1
92.99805	5.9
93.03448	47.4
95.01376	7.2
95.05035	6.8
97.02937	29.7
98.20626	2.8
99.00864	9.2
101.02432	78.3
107.05019	21.0
109.02898	2.8
111.00866	4.0
111.22092	2.2
116.67747	2.3
117.03475	12.1
119.01332	2.6
119.05010	39.7
121.02949	23.8
123.04447	3.6
125.02402	5.7
125.06040	4.9
127.04032	5.4
133.02945	47.0
134.03716	2.9
135.04510	50.8
136.01611	3.0
136.05283	3.2
137.06059	22.4
145.02905	11.0
147.00844	3.2
149.06039	5.5
151.03979	9.9
151.07620	49.5
152.07939	2.6
153.01837	2.6
153.05539	13.3
161.01071	5.2
161.02417	100.0
162.02814	7.8
163.03990	63.2
164.04347	4.5
165.05531	4.4
167.07112	9.3
173.04599	2.4
177.05579	22.7
179.03481	60.5
180.03754	4.3
189.01897	95.0
190.02251	7.2
193.05028	12.9
195.06601	80.2
196.06877	5.6
201.15359	2.3
207.02940	27.2
208.03300	2.6
221.04530	39.8
231.06558	4.8
239.05565	10.5
239.07809	2.1
242.37857	2.5
257.08051	15.2
315.12280	15.1
316.12750	2.6
327.08774	12.8
329.13815	2.5
341.10233	2.8
352.78329	2.3
359.11304	95.2
359.15753	4.7
360.11551	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	359.1132
Annotation	Barbatic acid
Peak:m/z	Relative Intensity
54.90030	0.7
55.19963	0.6
57.18411	0.6
57.75529	0.6
59.01373	16.2
65.03944	0.8
67.01879	6.8
68.99811	29.8
69.03447	1.3
71.01379	1.2
79.01896	0.6
81.03446	1.5
85.02929	1.5
87.00868	2.1
87.10752	0.7
89.02422	0.7
89.03969	1.2
91.01886	1.1
91.05520	3.0
93.03448	31.6
94.03768	0.7
94.43255	0.5
95.01379	1.9
97.02934	3.9
99.00851	2.0
101.02431	36.5
105.03467	0.8
106.04204	0.9
107.05016	10.6
108.02181	1.3
108.05393	0.7
109.02962	6.0
111.00871	2.1
113.02402	0.9
117.03460	7.0
119.01385	2.3
119.05010	12.9
120.02158	1.3
121.02943	12.1
123.00903	1.6
123.04501	1.7
125.02445	2.1
125.06059	1.0
127.04037	3.3
133.02933	8.2
134.03697	1.3
135.04514	27.8
136.01665	1.0
136.04793	1.1
137.02409	5.8
137.06062	18.3
138.06351	1.2
139.00380	0.9
145.02954	8.6
147.00914	3.8
147.01901	0.7
149.02386	1.3
149.06085	1.8
151.03970	4.5
151.07617	1.2
153.01933	2.0
153.05589	2.0
161.02415	17.4
162.02954	1.0
163.03993	27.7
164.04337	1.4
167.07166	1.9
171.02998	0.6
175.03964	1.8
177.05548	19.5
177.07069	1.2
178.05939	1.0
179.03473	100.0
180.03813	5.4
189.01924	16.9
190.02174	1.1
193.05086	3.0
195.06596	26.8
196.06955	1.7
206.02202	0.9
207.02966	15.4
208.03357	1.3
211.06084	1.8
213.05592	0.7
217.00278	2.0
221.04512	16.1
222.04860	1.3
239.05606	14.5
240.05992	1.5
243.37292	0.6
257.08148	25.5
258.08539	2.0
265.97302	0.7
274.23962	0.6
283.09625	1.7
299.09183	1.6
327.08725	6.2
328.08954	1.3
337.25558	0.7
341.10239	5.6
359.11310	46.0
360.11697	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	359.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
65.20893	1.8
67.67357	1.8
70.89558	3.9
71.01373	34.0
72.01683	1.8
78.78922	1.9
85.02923	4.9
87.00858	3.9
89.02437	43.6
98.71113	2.2
101.02437	21.4
113.02436	16.7
117.18924	1.8
119.03513	23.0
119.04991	27.6
120.05362	1.8
126.09119	1.8
131.03410	2.1
137.06029	2.9
143.03482	6.3
161.04552	3.2
179.05673	10.3
299.11328	36.3
328.81772	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1343
Annotation	Semperoside
Peak:m/z	Relative Intensity
53.07568	1.8
58.00584	2.8
59.01372	100.0
64.14165	2.2
67.01888	2.2
70.40054	2.2
71.01375	30.0
72.99292	3.0
73.02929	4.1
75.00880	10.4
81.03436	3.2
81.37738	2.4
83.01385	2.9
83.05032	2.6
85.02950	9.5
87.00883	6.8
89.02435	45.3
93.03452	3.9
95.01361	3.7
101.02431	26.1
111.08139	14.8
113.02426	17.3
119.03486	23.7
119.04977	21.9
120.95774	2.3
124.07672	3.0
131.03485	3.8
135.04517	4.3
135.08142	5.1
140.93672	2.3
141.09126	2.7
143.03493	4.5
153.09196	70.5
153.10448	3.7
154.09491	3.3
155.01497	2.3
161.04524	6.2
167.53767	2.0
173.04538	12.1
173.08185	20.3
179.03476	2.8
179.05568	17.6
185.11783	9.4
186.07693	5.3
197.08144	41.9
215.09219	2.5
248.48151	2.8
249.55965	2.2
299.11325	27.3
359.13174	11.6
360.16736	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	359.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42503	2.0
59.01371	100.0
61.91928	2.0
63.89838	1.8
69.75742	10.8
69.76124	4.8
71.01369	34.8
82.72620	1.8
85.02918	5.6
89.02435	61.8
93.51768	2.1
97.79621	2.0
98.19926	4.1
101.02438	27.4
102.02733	1.9
113.02433	23.3
119.03495	36.2
119.04995	28.9
122.51910	2.4
125.53801	2.3
126.23139	1.9
130.24449	2.1
131.03510	5.8
137.06030	2.4
143.03447	7.7
149.04564	3.2
161.04529	6.9
179.05583	14.9
299.11340	54.9
300.11621	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	359.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	0.2
69.03450	1.0
69.57531	1.5
69.59029	0.3
71.01380	0.4
73.02948	0.4
81.03447	0.3
83.05011	0.8
85.02966	0.4
87.00833	0.2
93.03447	2.0
101.17767	0.2
111.04507	2.5
127.04016	0.3
135.04596	0.2
137.02444	0.3
139.11299	2.3
153.09155	0.7
155.03482	2.9
156.03891	0.2
173.04532	4.5
174.04834	0.4
183.34470	0.3
185.11794	100.0
186.12151	6.5
197.08170	1.0
226.23956	0.2
264.12366	0.2
284.73810	0.2
359.17056	9.8
360.17358	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	359.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01380	0.6
67.01884	1.7
69.03471	0.4
69.40478	3.4
71.01369	1.5
73.93640	0.5
78.91605	0.4
93.03445	13.0
94.03786	0.5
103.97588	0.4
109.02948	0.5
111.00867	0.5
111.04510	3.3
119.35675	0.4
127.03944	0.5
128.44130	0.4
128.56090	0.5
134.78259	0.5
137.02455	3.8
150.17458	0.4
151.03975	0.7
152.04245	0.7
155.03496	4.3
166.02979	0.5
173.04524	100.0
174.04880	4.1
185.11813	16.6
185.25865	0.4
186.12106	1.0
216.96599	0.5
311.42026	0.4
359.17075	15.7
360.17441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01380	1.5
60.14175	0.2
60.99284	0.4
67.01546	0.3
67.01886	4.6
69.03447	1.2
69.66252	1.0
71.01367	3.0
81.03452	0.7
83.05022	0.8
85.02951	0.5
87.00874	0.3
87.95506	0.2
93.03447	25.5
94.03774	1.0
109.02930	0.8
111.00887	1.3
111.04509	4.5
112.04885	0.2
113.02432	0.4
115.03965	0.2
117.43965	0.2
120.37688	0.2
127.03979	0.5
137.02438	5.1
138.02745	0.2
139.11266	0.7
153.09204	0.2
154.07364	0.2
155.02209	0.3
155.03471	4.8
173.04521	100.0
174.04860	4.5
174.76340	0.2
185.11803	18.3
185.58452	0.2
186.12154	1.4
197.08186	0.3
359.17056	14.1
360.17413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29678	0.5
58.00583	0.5
58.26953	0.5
59.01373	13.5
60.55225	0.5
60.99306	0.6
67.01886	4.2
68.02235	0.5
69.03443	1.0
71.01377	6.7
71.04997	0.9
71.61326	0.8
73.02944	0.9
74.02476	0.7
83.05032	0.8
85.02930	1.4
89.02422	3.7
91.76426	0.5
93.03447	25.4
101.02411	1.8
109.02943	1.0
111.00853	1.7
111.04530	4.2
113.02413	2.3
115.03999	8.5
119.03452	2.0
119.05005	2.9
119.77972	0.7
123.16816	0.6
129.37411	0.6
134.87981	0.6
137.02417	5.1
155.03474	5.1
162.72011	0.7
167.10675	1.0
173.04526	100.0
174.04863	4.8
179.05577	0.7
185.11800	21.0
185.13441	1.2
186.12131	1.3
191.05589	2.7
227.06610	0.8
261.05536	0.9
299.11319	2.3
300.11789	0.9
359.17133	8.6
383.62027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83786	0.5
57.03435	1.2
59.01371	15.3
60.99282	1.0
62.58623	0.5
67.01879	4.0
69.03445	1.4
69.64193	3.3
69.64572	0.6
71.01371	7.7
71.83853	0.5
73.02942	0.6
81.03451	1.2
82.02971	0.9
83.01363	1.1
83.05015	1.0
85.02950	1.6
85.06069	1.1
85.06577	16.7
86.06920	0.9
89.02433	7.2
93.03447	24.6
94.03768	1.0
95.01409	0.7
97.02953	0.6
100.04050	0.6
101.02425	3.6
104.03517	1.2
108.04530	0.7
108.84837	0.5
109.02920	1.2
111.00834	0.9
111.04523	4.2
113.02441	3.2
115.05831	0.5
119.03486	3.0
119.04998	4.6
129.06711	0.6
137.02438	4.8
137.06052	0.7
143.03534	0.6
148.67441	0.5
149.23618	0.5
152.03534	0.6
155.03470	3.9
155.08154	0.6
161.04613	0.9
162.02649	0.5
165.06709	0.6
167.10744	1.3
173.04518	100.0
174.04863	5.1
179.05585	1.8
181.12286	1.0
183.07660	0.6
185.11798	13.3
186.12193	0.7
188.05939	0.6
191.05611	6.4
195.07896	0.7
213.08833	0.8
225.11288	2.0
227.06795	1.1
252.29924	0.5
255.07660	0.5
257.07825	2.0
275.32635	0.6
299.11295	3.4
359.12766	2.4
359.17108	7.7
359.21124	0.8
360.17203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02452	0.8
53.69476	0.7
57.03434	1.7
59.01089	1.5
59.01373	23.4
64.67658	0.8
67.01881	5.2
69.03442	1.0
71.01369	11.1
71.05019	1.0
71.61897	1.3
73.02948	0.8
81.03445	1.6
83.05000	1.1
85.02953	3.2
87.00883	0.9
89.02444	10.2
93.03444	23.5
94.03819	1.2
95.01375	0.9
97.42937	0.7
98.20662	0.7
101.02396	5.8
109.02993	1.1
111.04497	5.8
113.02433	3.7
119.03513	4.7
119.05013	6.3
137.02444	4.5
139.11325	1.2
143.03377	0.8
155.03479	4.8
167.10728	3.7
173.04518	100.0
174.04871	4.1
179.05577	2.4
183.10258	0.9
185.11826	23.0
186.12119	0.9
191.05595	13.0
191.07277	1.1
193.22050	0.8
201.42004	0.9
225.11302	2.7
228.40871	0.9
299.11215	4.9
329.13925	1.1
359.16931	5.9
359.20807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49312	0.5
59.01373	31.9
67.28465	0.5
70.67824	1.4
71.01356	2.1
78.12746	0.6
86.25038	0.6
89.02431	5.1
90.06972	0.6
101.02422	2.7
111.17805	0.7
113.02430	1.5
119.03469	1.8
119.05011	2.0
135.04532	0.9
137.06081	1.2
147.58441	0.6
187.63687	0.5
195.06674	1.2
207.02977	1.3
277.21683	100.0
278.22055	10.1
299.11292	2.4
315.12079	0.9
359.21994	22.1
360.22348	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	361.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65388	0.6
59.01375	13.6
68.36828	0.5
71.01382	8.7
71.17647	1.0
72.99308	4.5
73.02937	0.7
83.01402	0.6
85.02952	2.0
87.04543	0.5
89.02451	5.8
90.87509	0.5
95.01386	1.1
97.82365	0.5
99.58679	0.5
100.36304	0.5
101.02438	5.4
111.00842	1.0
113.02411	2.4
117.03457	13.6
118.03784	1.0
119.03489	1.4
119.05023	7.0
119.08680	1.4
120.05335	0.9
127.00364	1.6
133.06598	0.8
135.08205	0.5
145.02940	100.0
146.03282	6.0
159.04405	0.8
161.06093	1.6
163.03990	12.7
163.07607	2.1
164.04379	1.0
173.04518	1.8
177.05515	0.5
181.08635	3.8
187.03981	4.5
188.04306	0.6
197.99194	2.0
198.99936	5.9
201.11253	1.0
203.12891	0.8
205.05072	1.2
235.06097	0.6
235.82068	0.5
265.07129	1.6
308.22498	0.6
315.47217	0.5
325.09250	35.3
326.09619	3.8
344.64124	0.7
346.45395	0.6
361.05276	6.2
361.14984	37.7
362.15436	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	361.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65388	0.6
59.01375	13.6
68.36828	0.5
71.01382	8.7
71.17647	1.0
72.99308	4.5
73.02937	0.7
83.01402	0.6
85.02952	2.0
87.04543	0.5
89.02451	5.8
90.87509	0.5
95.01386	1.1
97.82365	0.5
99.58679	0.5
100.36304	0.5
101.02438	5.4
111.00842	1.0
113.02411	2.4
117.03457	13.6
118.03784	1.0
119.03489	1.4
119.05023	7.0
119.08680	1.4
120.05335	0.9
127.00364	1.6
133.06598	0.8
135.08205	0.5
145.02940	100.0
146.03282	6.0
159.04405	0.8
161.06093	1.6
163.03990	12.7
163.07607	2.1
164.04379	1.0
173.04518	1.8
177.05515	0.5
181.08635	3.8
187.03981	4.5
188.04306	0.6
197.99194	2.0
198.99936	5.9
201.11253	1.0
203.12891	0.8
205.05072	1.2
235.06097	0.6
235.82068	0.5
265.07129	1.6
308.22498	0.6
315.47217	0.5
325.09250	35.3
326.09619	3.8
344.64124	0.7
346.45395	0.6
361.05276	6.2
361.14984	37.7
362.15436	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	361.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46021	1.1
53.53763	1.3
59.01374	5.8
63.02400	2.0
65.03951	1.9
67.01886	2.2
68.99828	1.6
69.03448	1.8
69.26623	12.8
71.01380	3.8
75.00861	3.6
77.03976	1.9
79.05521	14.9
81.03461	4.2
85.06573	1.2
88.04042	2.5
89.03970	5.1
91.05527	38.3
93.03452	12.2
95.05005	5.7
97.06544	1.9
101.02415	2.1
105.03448	13.2
107.05022	15.7
108.05351	1.4
109.02945	4.6
109.06575	14.6
111.00878	1.6
113.02452	1.6
117.03474	11.6
117.06796	1.1
121.02937	12.9
123.04510	78.2
124.04837	3.0
125.06061	1.5
133.02933	3.9
135.04507	58.6
136.04836	3.0
137.02411	9.1
137.06064	4.0
149.02423	21.1
153.01941	3.3
153.05554	100.0
154.05927	5.2
155.10748	10.3
161.02449	20.5
161.04483	3.4
165.01907	1.3
171.97925	1.3
173.04532	5.5
179.03476	47.5
180.03804	2.7
181.01411	11.9
193.01407	5.3
197.04413	2.8
199.09674	5.3
199.13362	2.5
205.01375	27.1
206.01770	2.0
211.13359	1.4
223.02487	3.3
235.13385	2.8
253.14342	3.7
265.14267	1.7
271.15515	1.6
291.08676	1.8
317.10229	4.6
361.09381	6.9
361.14795	6.5
361.18710	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	361.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07095	1.5
59.01376	31.3
71.01386	15.1
71.37717	4.2
72.97529	2.5
73.02945	3.4
78.95908	1.7
85.02929	5.8
89.02444	4.3
95.01369	4.1
101.02422	11.8
110.72919	1.8
113.02450	9.3
119.03544	1.9
121.02957	4.1
123.00876	100.0
124.01740	9.8
125.02413	2.3
137.02425	2.6
138.03215	79.3
138.87767	1.9
139.04027	27.2
149.02431	2.7
151.03992	4.5
159.03030	2.8
161.04529	23.2
162.05020	2.3
163.04013	1.9
166.02718	3.6
178.02632	3.4
181.05046	8.9
193.05043	3.2
301.09232	37.7
302.09473	4.1
348.37735	1.8
361.15176	3.7
366.55594	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	361.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73405	1.1
51.61586	1.0
59.01368	7.1
60.60670	1.1
61.98815	2.4
65.00335	1.1
65.59223	1.1
67.01879	21.6
68.99807	56.3
69.03448	34.4
70.00138	1.1
71.10977	1.0
95.01367	4.5
95.05009	11.1
98.19875	2.1
101.02431	100.0
102.02785	3.2
107.45653	1.2
111.00870	37.0
111.01641	2.5
115.68776	1.2
117.07783	1.1
121.02939	3.7
125.02455	8.5
127.04001	44.9
137.06056	9.1
138.03210	1.3
139.00356	21.3
139.03993	10.0
141.55508	1.3
143.03452	3.9
149.02393	3.3
153.01923	9.1
165.05618	1.5
171.02962	13.5
173.66640	1.1
181.05086	1.8
228.09103	1.3
245.28133	1.0
259.09674	14.8
271.25339	1.1
285.32172	1.2
291.08701	87.2
292.09073	8.9
322.43558	1.2
373.79276	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72320	1.5
54.64266	1.5
55.47479	1.4
57.19696	1.4
59.01373	10.2
61.98823	2.8
67.01882	18.7
68.99815	48.1
69.03454	26.9
70.04184	2.1
70.04579	3.3
70.34555	1.5
95.01376	4.8
95.05016	10.0
99.00893	1.5
101.02432	100.0
102.02791	1.6
111.00874	36.7
121.02950	3.2
125.02450	8.5
127.03117	3.2
127.04004	46.5
135.04498	1.7
137.06059	10.0
139.00363	16.1
139.03979	7.5
143.03505	4.1
149.02341	2.2
150.01366	1.6
153.01938	8.2
171.03006	9.6
219.97775	2.3
241.07086	2.1
259.09711	14.5
291.08719	83.4
292.09085	9.7
344.53802	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	361.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98480	1.4
59.01359	4.4
65.00335	1.8
67.01877	18.5
68.99812	58.7
69.03450	29.3
83.01408	1.7
93.03440	2.4
95.01385	3.8
95.05003	10.8
98.19834	3.1
99.04520	1.8
100.09196	1.2
101.02435	100.0
102.02781	2.8
111.00873	38.8
111.04468	1.6
119.04993	1.4
121.02920	2.7
125.02432	8.1
127.04000	44.2
128.04337	2.5
137.06067	10.6
139.00349	19.4
139.03996	10.8
143.03496	3.9
149.02422	2.0
153.01945	8.4
171.02982	13.2
175.18854	1.5
181.57607	1.5
188.91982	1.8
259.09705	14.0
291.08710	88.6
292.09045	8.8
344.75024	1.4
377.45270	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	361.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25787	1.1
59.01367	3.5
61.19721	1.2
67.01884	25.8
68.99808	57.6
69.03451	32.2
69.62843	4.4
69.63275	4.0
70.00131	1.4
78.79040	1.1
83.45947	1.2
87.09921	1.1
93.03445	2.4
95.01381	4.3
95.05023	9.9
98.19956	2.3
99.04501	2.1
101.02434	100.0
102.02779	2.9
111.00864	42.0
112.01162	1.5
119.14758	1.5
121.02932	3.6
122.93124	1.2
125.02427	7.5
127.04000	42.8
128.04282	1.8
137.06065	10.0
139.00362	21.1
139.03986	12.4
143.03499	4.1
153.01920	11.4
171.02954	12.7
245.78154	1.3
259.09723	13.3
260.10016	1.6
291.08710	81.3
292.08926	8.8
299.10217	1.2
330.02127	1.4
370.30789	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	361.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52984	1.4
59.01363	4.3
65.00289	1.6
65.03961	1.6
67.01881	22.7
68.99809	60.5
69.03446	31.8
69.95979	3.0
69.96395	4.7
70.00171	1.5
74.60291	1.5
92.99804	1.7
93.03426	2.1
95.01385	2.9
95.05019	8.7
99.26725	1.7
99.53867	1.4
101.02431	100.0
109.36929	1.4
111.00864	34.3
119.05006	1.8
121.02953	2.9
125.02422	8.9
127.03993	43.6
128.04315	1.4
137.06073	10.2
139.00346	21.9
139.03992	6.5
140.00739	2.1
143.03465	5.8
143.04501	1.4
149.02423	2.4
153.01900	8.5
171.02946	14.0
259.09708	11.2
277.91449	1.5
291.08704	79.3
292.09048	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	361.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97622	1.1
59.01369	4.4
63.80409	1.2
65.03963	1.5
67.01880	17.9
68.99808	48.4
69.03447	27.7
69.73499	2.4
69.73891	3.5
93.03429	3.3
95.01366	3.9
95.05020	9.0
101.02428	100.0
102.02776	4.1
111.00861	36.5
121.02925	4.7
125.02405	5.9
127.03999	44.9
128.04340	1.2
132.75876	1.3
136.64946	1.2
137.06085	10.3
139.00365	19.9
139.04018	7.9
143.03459	4.3
145.07765	1.1
149.02437	2.8
153.01962	5.7
155.03590	1.4
171.02953	12.7
173.04533	5.2
187.13388	1.7
202.10417	1.1
259.09735	14.9
260.10016	2.4
291.08691	82.3
292.09055	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.2
61.98825	2.5
67.01881	20.9
68.99809	51.9
69.03442	26.4
70.00142	1.3
73.48286	1.3
81.04137	1.2
83.40044	1.1
93.93144	1.1
95.01372	4.6
95.05020	10.2
101.02431	100.0
101.18688	1.2
102.02782	3.2
111.00861	39.3
112.01172	1.3
121.02959	2.9
125.02420	8.7
125.06618	1.2
127.03997	44.2
137.06062	9.1
139.00362	21.6
139.04005	10.6
143.03464	4.7
144.64253	1.2
149.02432	2.9
153.01898	10.1
171.02951	12.9
190.11848	1.2
213.14948	3.5
221.15472	1.6
259.09760	13.8
291.08701	85.4
292.08963	10.2
303.82953	1.4
323.98199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54954	0.6
52.92369	0.4
53.39576	0.5
54.45234	0.5
56.13148	0.5
59.01373	5.5
61.27024	0.4
65.00315	1.4
65.03957	1.0
67.01881	19.2
68.02235	0.6
68.99808	54.6
69.03447	27.0
70.00145	0.7
70.03785	0.8
71.01363	0.5
71.62986	1.1
80.45458	0.5
83.01363	0.8
87.00867	2.6
87.34729	0.5
90.45188	0.4
92.99810	1.3
93.03458	2.6
95.01369	3.8
95.05010	9.8
96.05360	0.6
96.75819	0.5
97.02960	0.8
99.00857	0.8
99.04490	1.3
101.02429	100.0
102.02772	2.5
106.04224	0.9
107.05035	1.0
109.02908	0.8
111.00867	36.8
112.01147	1.0
119.04993	2.9
121.02919	3.4
121.06634	1.2
123.04516	2.1
125.02437	7.4
126.09534	0.5
127.03996	40.5
128.04305	1.3
135.04477	0.9
137.06061	13.4
137.07133	0.7
138.06412	0.6
139.00354	18.1
139.03984	8.8
140.04359	0.6
143.03482	4.2
149.02441	2.6
149.60822	0.6
153.01926	8.4
153.05568	1.6
155.70877	0.5
163.03975	2.5
165.01836	0.8
165.05536	3.8
165.15523	0.5
171.02956	11.4
172.03304	0.7
181.05032	2.6
191.03426	1.1
197.08232	1.7
200.71199	0.6
207.02893	0.6
209.04518	1.2
223.06053	5.0
259.09698	12.7
259.12253	0.9
260.10062	0.7
291.08694	80.7
292.08960	7.3
329.10242	1.1
361.09146	0.7
361.12881	5.7
361.22327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71038	4.5
53.04820	5.0
53.43525	5.6
57.73823	5.2
59.01367	20.7
69.37024	39.7
71.01379	18.9
73.02955	7.4
75.00862	38.5
89.02438	13.4
99.00846	8.9
101.02424	9.9
109.02936	5.1
119.03508	7.7
123.04448	7.1
126.91165	4.8
142.99814	6.5
143.03455	8.1
151.03995	59.6
161.00879	7.4
161.04491	11.5
163.06052	9.4
179.05583	100.0
274.75452	5.3
325.11389	9.9
361.08865	49.1
362.10675	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	361.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	25.4
62.19601	2.8
64.65379	2.3
69.68884	16.0
71.01364	16.2
72.99313	3.2
73.02954	3.3
75.00871	30.8
85.02949	3.0
87.00874	3.1
89.02444	7.4
93.03452	5.7
99.00864	9.6
101.02444	6.5
113.02471	4.1
115.00352	4.2
115.03953	4.7
119.03494	3.7
119.05061	6.9
125.06139	3.0
128.11061	2.6
137.06007	3.2
138.03171	3.3
142.99837	19.8
143.03502	4.6
145.01411	5.0
151.03899	4.0
161.00922	29.0
161.04559	5.6
163.04066	4.5
169.05019	4.0
173.04506	28.6
179.05591	100.0
180.06689	21.7
181.07137	12.0
185.56857	3.4
187.06038	13.0
191.05562	3.3
337.95743	3.0
361.11172	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	361.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	8.3
59.01371	2.3
69.38819	6.9
70.02986	1.3
71.01354	1.6
72.04525	1.2
74.02464	16.5
81.03471	1.3
82.02979	5.6
83.01371	2.7
83.04987	1.4
85.02934	1.0
85.04038	1.5
86.06117	1.2
96.04539	9.1
97.04054	9.9
98.02441	4.9
99.05624	15.6
100.00397	3.6
101.02406	3.2
108.04534	11.6
109.04095	2.4
110.02451	3.7
110.06078	1.5
112.04040	10.6
112.07670	12.9
113.03548	7.3
120.04510	1.1
122.06101	4.6
124.04031	9.0
125.03534	4.2
125.04814	5.7
126.04327	1.2
126.05584	2.4
127.04298	2.0
127.05118	14.6
133.06911	15.1
137.07179	5.4
137.09746	1.3
138.05621	1.8
139.08734	1.4
140.07159	17.2
141.01741	1.1
143.04596	3.8
150.04301	1.6
152.03491	5.3
155.08244	28.7
155.10762	9.2
165.06673	21.3
166.05083	2.8
166.06949	1.6
173.04527	2.3
175.05051	1.2
178.71153	1.2
181.06113	1.6
183.07709	51.7
184.08026	1.8
199.09712	8.3
218.64777	1.2
225.05144	2.6
227.06686	100.0
228.07053	6.3
315.19934	1.3
361.14371	19.5
361.22150	2.2
362.14874	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
58.02962	3.4
59.01374	35.8
62.06419	1.9
67.98167	2.1
69.74930	7.7
69.75345	4.4
71.01368	6.8
72.99292	4.1
73.02922	4.0
74.02463	9.2
74.32290	1.8
81.09803	2.3
85.02950	2.6
93.03456	10.4
97.04054	5.1
99.05614	6.0
100.00377	2.2
101.02409	2.3
108.04559	2.7
110.02487	2.1
111.00926	2.7
111.04440	2.2
111.08147	6.2
112.04025	3.4
112.07661	8.9
113.03601	3.6
122.06033	1.8
124.04041	2.8
125.04848	2.6
127.05085	4.9
133.06885	6.8
137.07201	2.9
137.09593	2.2
139.11278	27.8
140.07132	6.4
143.04594	2.4
147.03017	2.3
151.13148	2.1
155.03516	2.8
155.08272	12.1
155.10733	8.8
156.93564	2.0
161.02379	2.0
162.74704	1.9
165.06619	8.5
165.09097	1.8
166.05026	2.4
173.04539	35.7
180.10141	1.9
181.12285	15.4
183.07742	21.2
183.10188	28.3
184.10524	2.7
187.09729	4.4
187.13306	3.8
192.13782	1.9
199.09706	5.1
199.13350	10.0
200.13503	1.9
225.11308	8.5
227.06691	40.1
228.06985	3.1
243.12323	100.0
244.12602	8.1
361.14865	63.8
361.22229	5.3
362.15152	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.15
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
59.01376	8.4
65.09928	0.9
69.34354	7.2
71.01366	8.5
71.04995	2.9
72.99291	6.9
73.02931	7.8
75.00861	22.8
81.03459	5.6
84.65211	0.8
87.00839	1.6
87.04497	1.3
91.68833	1.0
93.03426	1.2
96.51987	1.1
99.00865	3.9
99.04512	7.2
106.19868	0.9
107.04975	1.1
109.02917	1.2
119.05007	2.7
121.02895	2.5
135.04427	2.0
137.02434	1.5
137.06044	3.0
137.09705	7.6
143.03487	7.4
143.56487	1.0
149.02452	1.7
155.10754	100.0
156.11073	6.7
161.03215	1.6
161.04523	21.4
163.03992	9.3
165.01868	3.8
179.05603	10.1
179.07002	1.6
181.05013	1.0
199.09718	46.6
200.10063	3.6
207.02916	3.7
343.08069	3.0
361.09573	2.8
361.14954	67.0
362.15213	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	361.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.7
59.01372	13.6
69.25671	10.9
70.87833	0.9
71.01380	5.5
72.99304	2.8
73.02937	1.3
75.00866	2.1
77.80958	0.9
83.01373	1.1
85.02941	3.6
87.00873	4.2
89.02441	3.4
99.00869	1.3
101.02415	1.2
103.04002	2.0
105.01922	10.8
107.57555	0.9
107.73495	1.0
111.00835	3.0
121.10194	2.2
129.01929	6.6
147.02982	3.9
153.09192	86.8
154.09509	4.9
155.10786	5.4
177.04045	10.4
183.10217	9.6
185.11787	1.6
186.12115	1.2
197.08157	100.0
198.08440	6.1
199.09715	3.3
295.11816	1.9
315.08798	1.6
315.23264	1.0
361.09714	2.0
361.14911	25.1
362.15359	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	361.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91332	1.5
57.03432	4.5
57.35036	1.3
58.00597	1.3
59.01371	25.2
60.44584	1.5
69.03445	4.5
69.76122	5.2
69.76530	2.9
70.49272	1.5
71.01376	40.6
72.06614	1.2
72.99308	8.3
73.02939	39.3
74.03243	1.5
75.00865	31.9
85.02956	7.9
87.00874	15.5
89.02435	5.1
95.51644	1.2
97.02940	2.9
98.20524	2.2
99.00875	7.5
101.02444	2.7
103.00314	1.8
105.01923	4.0
111.00879	1.6
113.47605	1.3
115.03987	2.7
117.03312	1.3
121.10208	5.6
129.01910	13.9
131.03505	3.6
133.05058	3.3
134.03630	1.5
139.11255	4.0
141.01892	1.8
147.02998	1.6
149.04477	1.7
159.02951	6.3
163.27768	1.3
165.09187	2.3
177.04021	46.3
183.10233	100.0
184.10564	6.2
185.11754	7.7
186.12163	3.3
187.12247	6.8
219.08113	2.1
237.09116	4.3
253.08678	2.9
273.00388	1.4
281.08209	2.7
315.08670	7.3
325.07193	2.0
325.12799	3.4
343.08133	5.0
361.09366	12.3
361.14948	100.0
362.10645	1.8
362.15213	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	361.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43823	0.6
55.01864	0.8
57.03439	2.3
59.01381	3.4
69.65042	1.7
69.65454	2.6
71.01373	2.4
72.99299	4.0
73.02931	2.3
75.00861	1.2
84.98117	0.7
85.02943	23.4
86.03282	0.9
91.31781	0.7
94.05418	0.8
97.02964	1.9
103.03954	0.9
105.01923	8.1
108.78377	0.7
109.02904	1.0
115.04047	1.4
125.09736	1.1
129.01949	1.3
135.04515	3.2
141.01881	1.2
145.05003	0.9
153.09193	85.7
154.09541	4.6
155.23576	0.8
159.02928	0.7
174.45950	0.7
179.03459	1.8
181.08588	0.8
183.10240	3.7
187.09874	1.1
197.08160	100.0
198.08492	5.6
331.08087	1.1
361.09335	10.0
361.14963	18.5
361.22037	1.1
362.15378	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	361.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
58.48594	0.8
59.01371	5.0
59.38491	0.8
70.86176	2.1
70.86527	1.4
71.01376	1.5
72.73972	0.9
72.99316	5.3
74.42554	0.9
85.02943	12.7
87.00829	0.8
89.02412	1.8
96.28246	0.8
97.02930	0.9
99.04499	1.2
121.02940	1.2
122.03741	0.8
123.49361	0.8
153.09187	84.2
154.09503	5.9
165.05493	2.3
167.29546	0.8
179.07091	1.2
183.10252	2.0
197.08156	100.0
198.08498	7.1
219.08073	1.7
225.09172	2.5
235.07669	2.0
235.69278	0.9
237.09109	3.9
253.08614	3.2
269.08078	1.2
281.08047	4.6
297.07581	1.5
299.09174	1.4
315.08658	9.1
316.09012	1.3
325.07220	1.2
331.14273	1.1
343.08160	6.8
361.09177	16.4
361.15103	17.4
362.09729	1.1
362.15607	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1512
Annotation	Gibboside
Peak:m/z	Relative Intensity
54.54083	1.9
58.02964	4.2
59.01378	16.3
60.59791	1.7
67.10601	1.6
70.91913	4.2
71.01369	12.8
72.22124	1.6
72.99295	8.8
73.02927	5.1
74.02468	7.1
83.01376	2.3
83.31014	1.7
85.02955	3.6
89.02446	3.8
93.03434	4.2
95.66171	1.8
96.04514	3.9
97.04069	4.6
99.05640	6.9
101.02427	24.9
105.01917	5.3
108.04535	5.2
110.02487	1.6
112.04013	4.2
112.07666	4.5
113.02422	3.7
113.03555	2.9
120.13825	1.7
124.04062	3.3
125.04797	2.3
125.09728	2.4
126.05525	1.8
127.05103	2.3
133.06905	6.1
135.02943	5.4
137.07117	2.7
137.09737	9.9
138.10068	2.0
140.07109	8.9
147.02971	5.8
153.09190	79.0
154.09528	5.2
155.08200	12.1
155.10757	54.3
156.11098	4.3
161.04518	1.9
165.06668	10.2
173.04567	2.0
181.08620	2.8
183.07727	18.7
197.08168	100.0
198.08508	3.8
199.09715	46.2
200.10077	4.2
227.06696	45.0
228.06929	2.7
249.90349	2.0
361.14792	34.2
361.18842	1.4
362.15244	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	361.15
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03437	3.1
58.00582	3.0
59.01377	28.6
61.98819	1.8
67.53133	1.7
71.01379	9.1
72.99313	2.6
73.02937	10.8
75.00861	7.1
83.05001	3.0
85.02938	4.5
87.00868	2.8
87.04509	3.0
89.02446	4.6
98.20660	3.0
101.02429	36.4
102.33218	1.8
113.02421	4.0
119.03458	1.7
135.02942	2.1
135.04518	4.6
137.09712	14.6
139.11258	10.9
147.02925	3.0
153.09196	48.1
154.09555	2.9
155.10757	100.0
156.11090	4.7
161.04524	5.4
171.10167	4.2
173.04507	2.4
179.03458	5.7
181.12253	4.0
183.10229	10.1
197.08154	56.6
198.08543	4.3
199.09729	84.1
199.13374	2.9
199.61003	1.8
200.10060	7.8
202.01434	2.1
225.11214	3.5
227.06732	3.3
229.14470	2.1
241.10768	4.8
243.12350	32.3
273.16791	2.3
301.12772	2.8
325.60739	2.4
335.11542	2.0
361.14914	30.8
361.22214	16.5
362.15512	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	361.1499
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
57.03439	0.9
58.00582	1.2
59.01373	27.6
70.20490	1.2
71.01379	15.7
72.99296	11.1
73.02931	2.0
83.01381	1.3
85.02949	5.2
89.02430	11.1
89.27366	0.7
95.01340	1.0
101.02443	9.8
111.82322	0.7
113.02436	4.7
117.03444	4.3
119.03493	3.2
119.04979	2.8
119.08629	2.6
121.58078	0.6
127.00330	0.9
130.08821	0.6
133.06546	1.8
135.08119	1.8
145.02927	28.1
146.03232	1.4
163.04024	3.8
163.07639	4.9
181.08694	10.4
187.03778	0.8
199.09758	1.9
303.68494	0.8
325.09262	9.0
326.09534	1.2
361.14969	100.0
362.15274	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	361.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86608	0.4
57.03432	1.1
59.01365	4.9
60.44564	0.5
65.03970	0.5
67.01880	3.8
69.03448	3.5
69.37904	3.9
71.01366	3.2
78.16991	0.4
81.03456	1.0
83.05013	1.1
85.02938	0.8
93.03448	27.1
94.03770	1.3
95.04996	0.4
97.84660	0.5
98.19900	1.0
99.04525	0.4
107.05022	1.9
108.02149	0.6
109.02948	1.4
111.00873	2.1
111.04515	6.0
113.02431	0.8
119.05022	5.0
120.09056	0.5
121.02933	3.3
123.04517	1.1
125.81609	0.4
135.04533	4.1
137.02422	9.3
137.06058	2.5
139.00339	1.3
141.12830	3.2
142.13110	0.5
149.02388	1.1
149.06007	1.0
151.03963	4.0
153.09203	1.0
155.03488	5.2
157.01382	1.0
157.04982	0.7
158.77345	0.4
161.02393	0.7
163.00366	0.8
163.04015	3.7
165.01880	4.2
169.05028	0.9
173.04523	100.0
174.04884	4.3
179.03404	1.4
181.05029	6.5
187.13367	29.1
188.13753	1.7
191.05582	0.7
197.04510	1.0
197.08224	0.9
199.09830	0.5
207.02953	1.1
212.58102	0.4
225.04063	1.5
249.07680	1.0
273.07629	0.6
293.10220	0.7
315.08478	0.9
331.08264	0.8
343.08127	1.6
361.09232	5.8
361.14026	1.0
361.15161	0.7
361.18613	17.4
361.21933	0.7
362.09662	0.6
362.19022	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	361.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
57.03432	1.6
58.00578	1.6
59.01375	24.8
59.05973	0.8
71.01376	17.4
72.99278	1.9
73.02927	2.8
75.00864	1.0
83.01384	2.9
85.02942	8.0
87.00866	1.0
88.04031	13.1
89.02448	5.9
95.01377	1.5
95.07752	1.0
99.00857	2.0
101.02442	10.7
111.00842	1.1
113.02443	4.9
114.01933	1.1
115.00364	4.3
119.03484	1.4
132.03020	41.9
137.05998	1.6
143.03656	0.8
153.09218	0.9
155.10741	2.5
167.11479	1.0
173.04478	1.8
181.12286	5.9
199.09682	1.5
199.13361	6.6
211.13336	1.2
218.64546	0.8
253.14514	1.0
343.17456	1.9
361.14801	4.2
361.18597	100.0
361.22046	4.8
362.12384	2.9
362.19040	12.0
362.23083	1.8
379.98318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38905	0.6
57.03449	3.4
59.01359	1.9
62.21159	0.5
67.01878	2.5
68.99810	5.0
69.03449	3.3
69.75578	2.9
71.01366	0.8
71.05009	1.5
81.03453	1.0
83.05009	1.2
84.02146	0.9
85.02934	2.0
87.00847	0.8
89.02430	0.7
93.03435	3.3
95.05002	0.8
101.02435	12.8
104.03753	0.5
106.91042	0.5
111.00872	2.8
111.04514	2.7
113.09709	1.7
116.86536	0.5
127.04017	4.9
137.06068	2.0
139.00331	1.4
141.12840	31.4
142.13185	1.8
143.03506	0.6
143.14336	0.6
151.11261	4.0
153.01874	0.9
155.03506	2.8
169.12318	13.2
170.12704	1.6
171.02950	1.8
173.04514	9.3
185.11836	3.5
187.13373	100.0
188.13728	5.9
191.05592	24.4
191.07343	1.3
192.05847	1.0
256.64175	0.6
259.09750	1.3
291.08685	10.5
292.08948	0.8
361.18698	4.9
362.18869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86608	0.4
57.03432	1.1
59.01365	4.9
60.44564	0.5
65.03970	0.5
67.01880	3.8
69.03448	3.5
69.37904	3.9
71.01366	3.2
78.16991	0.4
81.03456	1.0
83.05013	1.1
85.02938	0.8
93.03448	27.1
94.03770	1.3
95.04996	0.4
97.84660	0.5
98.19900	1.0
99.04525	0.4
107.05022	1.9
108.02149	0.6
109.02948	1.4
111.00873	2.1
111.04515	6.0
113.02431	0.8
119.05022	5.0
120.09056	0.5
121.02933	3.3
123.04517	1.1
125.81609	0.4
135.04533	4.1
137.02422	9.3
137.06058	2.5
139.00339	1.3
141.12830	3.2
142.13110	0.5
149.02388	1.1
149.06007	1.0
151.03963	4.0
153.09203	1.0
155.03488	5.2
157.01382	1.0
157.04982	0.7
158.77345	0.4
161.02393	0.7
163.00366	0.8
163.04015	3.7
165.01880	4.2
169.05028	0.9
173.04523	100.0
174.04884	4.3
179.03404	1.4
181.05029	6.5
187.13367	29.1
188.13753	1.7
191.05582	0.7
197.04510	1.0
197.08224	0.9
199.09830	0.5
207.02953	1.1
212.58102	0.4
225.04063	1.5
249.07680	1.0
273.07629	0.6
293.10220	0.7
315.08478	0.9
331.08264	0.8
343.08127	1.6
361.09232	5.8
361.14026	1.0
361.15161	0.7
361.18613	17.4
361.21933	0.7
362.09662	0.6
362.19022	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	361.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.4
61.31801	0.5
62.55568	0.4
65.14854	0.4
90.39829	0.4
91.80260	0.4
128.26720	0.4
249.45482	0.5
261.22229	0.6
279.23245	100.0
280.23602	11.6
361.15833	3.0
361.23538	24.2
362.23950	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	361.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68498	1.1
57.24602	1.2
59.01374	100.0
61.98829	1.0
63.03481	0.9
67.01875	3.6
68.99815	9.8
69.03443	4.4
69.44298	1.3
71.53746	1.9
72.79806	1.2
95.05016	2.1
101.02420	14.4
111.00870	5.9
121.02932	1.4
125.02427	2.0
127.03996	6.5
137.06071	1.6
139.00346	2.2
139.03932	1.3
259.09698	3.2
291.08780	14.5
291.38080	1.2
292.09171	1.6
293.26285	1.1
296.75531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42255	0.8
55.45932	0.9
56.89304	0.8
59.01368	4.9
61.01809	1.2
61.98824	100.0
69.65137	1.7
69.65565	3.6
71.01380	2.0
71.25951	0.8
73.01758	0.9
89.02431	1.1
90.02789	0.8
98.19830	1.1
98.20434	2.5
101.02438	1.3
115.57462	0.8
119.03496	1.1
123.10825	0.7
173.82997	1.1
206.67644	0.8
219.99130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07886	0.6
59.00256	0.6
59.01368	9.0
61.98825	100.0
69.26643	5.4
71.01379	2.9
72.16888	0.6
79.54665	0.6
84.97817	0.6
85.02882	0.8
87.00838	0.7
89.02447	4.7
93.16285	0.6
99.04522	0.9
101.02452	2.4
107.57770	0.6
113.02438	2.1
119.03512	1.2
131.03528	1.0
142.62891	0.7
150.04691	0.8
163.03998	0.9
173.04555	1.3
189.11368	1.7
327.10767	0.8
342.93124	0.6
363.16599	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	362.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
69.03449	0.6
69.38738	2.8
69.39160	1.2
70.02930	0.4
71.01376	6.7
72.01665	0.6
73.02945	0.7
85.02930	0.5
88.04034	32.5
89.02451	0.7
89.04353	0.8
93.50822	0.4
95.05038	0.7
101.02447	1.7
113.02454	0.5
114.01966	3.1
115.00361	11.5
116.00683	0.6
121.12851	0.4
126.61928	0.4
132.03012	100.0
133.03362	2.2
134.09892	0.4
159.11787	0.9
161.13371	0.7
173.04611	0.5
200.13756	0.6
202.12335	0.7
203.10794	1.5
235.82755	0.5
289.34274	0.6
361.18622	0.7
362.12308	6.8
362.18988	14.1
362.22543	0.6
363.19333	1.7
383.04230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	56.6
67.01878	2.0
68.99814	1.7
69.03448	100.0
69.27396	1.0
69.27799	5.3
70.03780	2.7
95.05017	19.2
101.02435	2.4
102.02779	1.4
109.17052	0.6
110.98895	0.6
111.00877	1.5
113.02419	3.6
121.02962	1.4
121.06608	1.3
123.04540	1.4
127.04040	0.9
135.04515	1.1
137.06087	0.6
139.00354	1.6
139.03987	2.9
139.07594	3.7
149.02373	1.7
165.05559	8.3
171.02992	0.6
183.06592	13.7
184.07065	0.8
195.06607	6.3
195.83516	0.6
196.06961	0.9
234.82689	0.6
249.07639	6.0
275.09244	1.2
293.06500	1.1
293.09311	2.9
319.11978	1.0
326.77054	0.6
329.04166	0.7
363.10556	0.7
387.91418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25926	0.7
59.01371	59.1
60.01692	1.0
61.72028	0.6
66.16810	0.6
67.01890	2.0
67.62814	0.6
68.99822	0.9
69.03448	100.0
70.03785	2.4
71.61981	0.9
95.05017	21.4
96.05338	1.0
101.02428	3.5
102.02765	1.4
103.02849	1.0
111.00915	1.8
113.02443	2.8
121.02925	2.1
121.06580	1.2
123.04485	2.7
127.03988	0.9
135.04523	1.0
139.00362	1.2
139.04016	2.7
139.07649	3.3
149.02486	1.1
165.05547	7.2
183.06589	13.4
195.06538	5.8
195.60831	0.7
249.07596	6.5
275.09149	1.1
284.32428	0.7
292.08954	0.7
293.06546	1.1
293.09396	2.1
387.29236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22963	1.6
59.01373	73.2
69.47791	3.3
69.48200	9.2
69.97311	1.6
71.01370	32.9
71.05011	7.5
72.99286	3.2
73.02934	4.7
75.42738	1.7
85.02942	9.1
87.00884	8.7
89.02435	30.7
93.03431	2.6
95.01391	2.9
99.00863	1.6
99.04510	52.4
101.02419	20.3
105.01917	4.2
105.03813	2.4
113.02446	13.3
115.03999	63.8
119.03489	15.6
119.05025	2.3
131.03490	2.0
140.07156	2.8
140.18074	2.0
144.08873	1.6
147.02982	3.1
153.09187	100.0
154.09531	5.3
161.04533	2.5
163.03963	2.6
165.03990	13.1
171.10257	8.8
172.04849	1.5
173.04512	3.9
178.05040	2.6
197.08177	28.6
200.28065	1.7
201.11353	8.0
204.02878	1.9
205.81302	1.8
208.47128	1.6
215.09204	44.6
216.09644	2.7
241.05037	2.4
284.47897	1.6
363.12814	53.1
363.16589	71.0
364.13147	4.3
364.17038	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	363.1296
Annotation	Pyridaben
Peak:m/z	Relative Intensity
59.01375	24.4
59.67237	1.5
61.98829	9.4
68.82590	1.6
71.01377	12.2
71.05009	11.1
71.61884	1.9
73.02931	4.2
75.00873	4.8
83.01394	1.8
85.02940	4.9
87.00869	6.8
89.02438	8.6
93.03458	2.1
99.00852	3.5
99.04512	25.3
101.02438	7.2
105.01915	7.0
113.02437	3.6
115.03996	77.8
116.04338	3.8
119.03484	5.4
129.05525	2.2
147.02954	6.2
153.09186	100.0
154.09567	7.8
161.04568	4.3
163.04005	2.9
165.04044	22.2
171.10257	12.9
173.04530	2.7
183.10222	5.7
183.80577	1.7
197.08134	23.9
201.11279	8.2
215.09225	38.7
216.09637	3.5
282.71698	1.7
288.41910	1.6
327.10727	2.3
363.12866	82.9
363.16672	26.4
364.13080	9.4
364.16730	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	363.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18950	1.4
57.03460	2.3
58.00599	2.1
59.01376	62.6
60.01756	1.5
69.03452	1.6
69.47235	10.1
71.01376	30.1
71.05040	11.2
72.01672	1.7
72.99312	4.0
73.02956	7.1
85.02931	8.8
87.00869	9.4
89.02438	26.9
93.03437	4.1
95.01418	1.8
99.04509	44.5
101.02440	23.4
105.01957	2.8
105.03805	5.2
108.04523	1.6
111.04487	1.8
113.02434	7.6
115.04005	74.6
116.04329	2.2
119.03494	10.6
119.04974	1.8
120.99610	1.4
124.22809	1.4
130.46436	1.5
147.02940	1.6
153.09198	100.0
154.09554	5.4
156.95651	1.5
161.04515	4.9
163.04012	4.9
165.04030	13.4
171.10269	8.9
173.04572	3.8
176.03517	4.0
178.05098	8.2
179.05484	2.5
194.45163	1.6
197.08154	25.6
201.11290	7.4
213.05566	1.7
215.09210	45.0
216.09473	2.8
241.04915	3.8
256.07349	2.8
275.13239	1.9
295.37640	1.5
301.11792	1.5
303.14572	1.7
315.08798	2.0
363.12793	43.0
363.16553	62.3
364.13190	4.3
364.17294	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	363.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.8
59.01369	13.4
62.55606	1.5
67.01866	2.0
69.03451	2.3
69.54056	7.9
69.54459	1.6
71.01368	16.5
72.99311	6.3
73.02942	3.3
75.00860	5.1
83.01379	5.0
85.02953	8.3
87.00862	20.7
89.02431	6.8
91.17738	1.4
98.20647	2.1
99.00866	4.4
101.02456	1.6
103.00334	3.9
105.01926	62.5
111.00872	24.1
115.03980	3.7
122.78340	1.2
128.80080	1.3
129.01932	41.5
139.11307	1.5
140.92595	1.3
147.02979	28.7
148.03357	1.3
155.10759	3.0
177.04019	57.7
178.04385	2.3
185.11804	59.3
186.12167	4.4
199.09828	2.3
250.58195	1.5
297.13385	18.0
315.14206	1.9
345.15598	3.1
363.16565	100.0
364.16898	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	363.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03455	0.4
58.89904	0.5
59.01363	1.3
69.03445	1.1
71.01350	0.7
71.38000	0.9
73.02935	2.9
85.02956	0.5
89.21132	0.5
93.30006	0.5
107.04986	0.6
135.08125	0.8
137.09708	6.7
140.80145	0.5
144.86722	0.5
153.09149	0.7
155.10756	100.0
156.11101	6.0
185.11833	1.9
196.95721	0.5
199.09724	65.3
200.10054	4.2
209.16339	0.6
209.79942	0.5
280.94821	0.5
345.72797	0.6
363.16544	33.0
364.16937	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	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74187	0.4
59.01381	4.4
68.99835	0.5
69.32778	1.1
69.33180	4.1
70.46802	0.5
71.01376	5.1
71.05016	2.8
72.99302	5.8
73.02943	6.2
75.00867	14.1
81.03440	3.0
81.90523	0.5
85.02948	2.0
87.00858	0.9
87.04507	1.6
88.97448	0.5
89.02448	2.5
97.02945	0.5
98.02462	0.6
99.00865	2.5
99.04507	100.0
100.04866	3.0
101.02412	1.0
101.06048	0.7
106.94057	0.5
126.81658	0.5
134.03731	4.5
135.04570	0.7
141.29721	0.6
142.05099	1.0
143.03494	4.7
154.62233	0.5
161.04541	15.8
164.03477	0.9
170.04526	0.6
177.04047	0.8
179.05634	2.2
183.10249	3.2
185.11813	0.9
188.05620	3.2
193.05052	2.3
196.06067	0.6
201.11296	6.9
220.06296	0.6
261.09708	0.8
287.10269	1.3
292.69617	0.5
331.09164	1.2
363.16562	49.3
364.10474	0.9
364.12717	0.6
364.16849	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	363.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54567	0.5
59.01368	5.4
71.01383	3.4
71.05006	0.9
72.99310	1.5
73.02938	2.2
74.66532	0.5
75.00864	2.1
81.03458	2.6
82.02985	3.7
83.01388	0.7
85.02950	1.4
87.00866	1.2
89.02434	1.5
98.20625	1.6
99.00877	1.3
99.04508	100.0
100.04845	2.9
101.02426	1.6
113.02451	1.2
119.03434	0.7
122.06180	0.5
127.76204	0.5
136.04022	2.1
142.72548	0.5
143.03490	1.6
153.09180	0.6
161.04514	4.9
164.03502	3.2
165.05516	0.5
172.03514	0.6
179.05576	1.7
183.10262	3.3
194.04570	1.5
195.05205	0.6
196.06116	2.3
201.11290	12.5
202.11678	0.6
215.12758	0.6
244.09738	0.6
246.59055	0.5
262.22141	0.5
287.10355	11.4
288.10645	1.1
331.09372	4.2
363.12347	1.7
363.16553	36.8
364.16934	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	363.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	1.0
57.03434	1.0
57.20520	0.4
58.00574	0.7
59.01375	14.3
70.91868	1.0
71.01377	10.1
71.05015	2.4
72.98898	0.3
72.99299	8.4
73.02934	3.5
78.33727	0.4
79.87472	0.4
83.01392	2.2
85.02937	4.9
86.00085	0.7
87.00880	0.6
89.02434	3.6
95.01355	0.8
95.18632	0.4
99.00852	1.4
101.02431	10.7
111.25673	0.5
113.02433	3.4
119.03493	0.8
155.10754	0.5
157.12291	0.7
165.09111	0.7
183.10245	2.5
201.11272	4.3
201.65860	0.4
203.12856	2.3
274.94748	0.5
345.15421	2.5
363.16553	100.0
364.16898	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	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	9.6
61.09549	1.2
63.33785	1.2
69.78624	7.8
71.01365	7.8
71.05002	5.2
72.99304	5.2
73.02934	4.8
75.00864	25.3
81.03448	9.8
82.02970	1.9
83.56017	1.3
85.02944	2.6
87.04521	1.4
89.02442	2.2
97.02929	3.1
99.00866	5.4
99.04507	100.0
100.04844	2.8
113.02463	1.3
120.99704	1.7
121.02837	1.7
125.02446	7.7
136.03996	1.4
143.03470	12.0
153.09161	2.5
161.04527	36.9
162.04948	1.9
165.05493	1.7
179.05621	6.0
183.10260	2.2
197.08144	3.4
198.08472	2.6
199.08574	2.4
201.11368	6.6
244.95087	1.3
261.09778	2.0
287.10486	3.3
363.16547	93.8
364.16852	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	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56804	3.9
57.03466	3.3
58.00583	5.1
58.54634	2.7
59.01373	100.0
62.91294	2.8
69.03464	3.6
69.51373	5.9
69.51779	16.2
71.01377	58.7
72.99295	4.5
73.02938	10.3
75.00860	2.9
85.02940	83.4
87.00870	5.8
89.02431	79.7
90.86118	2.8
101.02435	36.5
102.39756	3.1
113.02419	21.4
119.03485	31.5
121.10194	3.0
126.93552	3.2
131.06282	3.4
143.03526	6.6
155.10805	26.4
161.04555	7.7
177.04044	6.6
179.05617	15.8
183.10234	39.3
185.11861	9.6
186.52339	2.9
194.51553	3.1
199.09723	16.3
203.12866	8.6
321.15579	8.6
356.85275	3.3
363.16531	28.4
363.20392	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	363.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.4
59.01112	1.4
59.01368	10.1
68.99799	1.7
69.03439	2.3
71.01373	39.5
72.99300	4.2
73.02924	1.4
75.00442	2.2
75.00860	35.5
78.60253	1.0
80.35197	1.0
85.02946	9.2
87.00849	7.0
89.02431	2.7
93.03446	1.6
97.02917	3.0
99.00864	5.0
101.02439	2.8
102.77026	1.1
102.89085	0.9
103.83104	1.0
111.00889	2.4
129.01932	10.8
131.03513	2.6
141.01921	2.1
159.02965	5.7
173.04662	2.0
174.04869	1.8
175.04935	3.4
176.05319	1.8
177.04016	41.8
177.05374	2.1
178.04416	2.0
185.11792	34.5
186.12088	4.2
327.14407	5.1
361.69083	1.0
363.16534	100.0
364.16766	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	363.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55885	0.8
59.01371	100.0
59.56987	0.9
60.01698	1.1
68.36229	0.9
69.03441	5.1
71.01370	2.2
71.61617	1.3
72.99339	0.8
73.02924	1.3
75.00857	3.0
81.03452	1.1
85.02925	1.5
87.00851	2.5
89.02450	1.3
93.03464	2.1
95.04980	0.9
98.10855	0.8
107.05023	4.4
111.00868	1.0
111.04498	1.9
113.02416	2.2
119.05006	2.4
121.02927	2.7
137.02458	1.4
137.06027	2.8
139.00313	1.6
139.11275	6.3
140.11740	1.0
161.04591	1.2
179.05554	2.3
181.05019	2.7
181.07190	1.4
183.10205	2.3
201.11305	16.3
233.08388	1.5
328.29456	0.8
363.16498	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	363.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97707	0.4
55.01864	1.7
57.03423	1.3
59.01101	0.9
59.01375	14.5
62.70873	0.5
67.99562	0.5
68.51704	0.5
69.05504	0.4
69.34862	2.2
69.35281	1.8
70.69703	0.4
71.00993	0.6
71.01373	10.6
71.05016	2.5
72.99303	2.6
73.02938	3.3
77.24991	0.5
82.24670	0.4
83.01376	3.1
85.02942	4.8
86.00084	1.1
87.00863	1.0
89.02420	2.5
93.67056	0.4
95.01345	1.0
97.02943	0.5
99.00858	1.6
99.08144	0.5
101.02436	8.4
111.00868	1.0
113.02435	2.4
127.11308	0.9
137.14014	0.5
139.11227	0.6
155.10747	0.8
157.12354	1.7
165.09132	0.6
183.10229	3.1
201.11310	7.6
202.11649	0.7
203.12839	3.1
241.60104	0.5
345.15460	4.3
358.62445	0.5
363.16547	100.0
364.16846	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	363.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
57.03442	2.6
58.00584	2.2
59.01374	55.7
60.01693	0.7
67.56182	0.6
70.60735	0.6
71.01376	43.4
71.19233	1.6
72.83920	0.6
72.99296	2.6
73.02940	12.4
75.00849	0.9
79.05493	0.7
82.73122	0.6
83.01369	5.3
85.02940	17.4
87.00851	3.7
87.04523	0.8
88.19470	0.6
89.02434	28.6
93.03429	0.8
93.72054	0.7
95.01379	3.4
97.02933	1.9
99.00854	3.7
99.04497	1.2
101.02432	51.9
109.06596	0.8
111.00874	0.7
113.02437	18.0
117.03452	1.4
119.03497	11.5
119.04990	6.1
121.10252	1.6
127.07638	10.3
131.03477	1.3
143.03470	2.5
143.04619	3.0
145.02939	13.4
146.03311	1.6
159.02971	2.2
161.04543	11.4
163.04010	9.7
165.09200	2.8
171.06631	6.7
172.06906	0.7
173.04517	2.5
179.05571	2.4
183.10225	12.1
187.03976	1.7
201.11324	3.1
261.13242	0.8
325.09311	3.9
327.10556	1.4
363.16556	100.0
364.16818	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	363.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53534	28.5
59.01363	100.0
70.48660	23.6
71.61600	48.7
76.91512	23.6
80.55389	22.8
81.69130	26.8
87.79025	22.8
97.06594	28.9
97.40020	22.6
98.19926	22.8
98.39049	22.6
98.68380	30.8
147.82887	24.7
163.15773	25.8
181.41098	26.6
199.32211	24.5
292.09274	30.3
293.88321	25.3
305.83560	25.8
323.48615	25.5
337.83316	27.1
363.25098	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	100.0
61.98836	61.1
65.12662	21.9
71.24955	24.5
71.62300	37.9
72.31561	21.7
116.97235	31.5
117.78954	20.7
163.04214	25.8
273.71222	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	363.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09850	23.2
57.90517	24.4
59.01371	91.3
61.71080	26.1
70.16219	28.7
70.16570	100.0
147.58969	27.3
153.75009	21.5
363.08749	28.3
383.52658	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	364.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44399	0.7
59.01378	7.2
61.98823	100.0
66.91301	0.6
70.36093	2.4
71.01370	2.7
72.99303	1.0
75.00845	0.9
78.95901	3.4
85.02969	1.6
89.02469	2.0
96.96021	2.6
96.96960	6.9
97.02950	1.8
101.02424	2.2
113.02462	1.1
115.04040	1.2
133.02965	2.1
144.66093	0.6
146.38263	0.7
161.04497	0.8
167.52066	0.8
177.01912	0.9
185.08189	1.0
191.05710	0.9
267.07224	1.2
365.10501	1.5
365.14520	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	364.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39251	0.2
57.06955	0.2
59.01381	0.4
61.98823	100.0
69.63245	1.8
78.79232	0.2
80.60104	0.2
98.04176	0.3
98.20659	0.3
169.50830	0.2
184.45348	0.3
202.78435	0.3
283.26501	0.5
364.20987	5.5
364.25351	0.4
365.21326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1237
Annotation	Inumakilactone D
Peak:m/z	Relative Intensity
59.01379	17.1
67.03929	3.2
67.45448	3.5
68.11012	3.4
69.52774	20.0
69.53178	6.3
71.01365	9.1
95.08659	8.0
98.19862	7.3
98.47455	3.8
106.04269	4.3
109.06582	19.2
111.00867	8.3
111.04517	7.4
121.06567	34.9
127.07634	15.2
130.06133	3.7
130.08716	3.5
137.06062	21.0
139.07634	100.0
140.07986	5.2
153.05568	10.2
157.08690	9.6
165.05547	90.8
171.06641	32.5
176.36246	3.6
183.06599	60.6
201.07631	34.2
227.05603	65.3
303.12289	4.8
321.13593	8.4
335.11325	4.4
347.11362	14.8
365.12396	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.3
56.85118	0.9
57.03427	1.5
59.01369	8.6
61.96070	1.0
65.03952	1.2
66.32710	1.0
67.01885	25.3
73.02951	2.3
81.03460	2.3
83.05018	4.2
85.02940	15.2
91.05511	4.2
93.03447	29.2
94.03812	1.5
95.05025	3.0
97.02924	13.0
98.03298	1.1
99.04503	34.4
100.04809	1.0
107.05022	38.8
107.82074	1.1
108.05339	1.9
109.02944	13.9
109.06569	5.7
111.00865	43.4
111.04504	23.3
112.01212	1.9
117.03450	2.0
123.04491	11.4
125.06088	1.0
134.03680	2.4
135.04509	100.0
136.04829	5.1
137.02435	7.7
137.06062	39.3
137.07118	1.3
138.06403	3.0
143.03508	2.7
149.06064	5.8
151.03987	7.8
153.05559	43.0
154.05862	1.5
155.07104	4.6
167.07109	1.9
169.05045	17.1
169.06375	1.9
179.03467	35.3
180.03825	1.9
193.05052	3.9
197.04538	25.9
211.06088	43.7
212.06432	3.1
229.07137	50.6
230.07533	2.9
262.65234	1.1
315.08673	2.8
333.09689	5.2
347.11475	2.1
365.12238	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	365.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67393	0.8
55.01869	1.6
58.00584	1.2
59.01373	30.8
61.98793	1.5
69.03396	0.9
69.43877	6.5
71.01373	36.4
72.99315	1.5
73.02940	1.8
74.02460	2.9
83.01376	2.1
84.37892	0.8
85.02945	5.9
87.00862	1.3
89.02434	15.1
98.20592	1.2
101.02431	13.6
113.02415	6.0
113.09711	4.2
116.01733	1.8
119.03500	7.0
123.08102	1.5
139.11261	3.8
139.30956	1.1
141.12859	2.8
159.45425	0.9
161.04565	1.1
185.11771	6.5
203.12849	15.7
204.13094	1.3
223.40971	0.8
229.06979	1.4
287.13898	1.3
316.45529	1.0
331.12729	1.0
349.04095	0.9
365.11719	19.8
365.18036	100.0
366.11935	2.5
366.18488	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	365.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.9
59.01375	32.6
61.98819	2.5
69.03435	1.1
69.43468	6.3
71.01374	34.9
72.99304	1.8
73.02929	2.3
74.02464	3.7
83.01368	2.1
85.02934	5.9
89.02431	16.3
95.01387	1.3
99.00877	1.2
101.02435	13.0
113.02430	7.0
113.09709	3.4
116.01770	1.8
119.03513	6.5
123.08139	1.1
137.06279	1.0
139.11253	2.6
141.12845	2.0
152.17311	0.8
160.11301	1.1
161.04417	1.2
179.05540	1.0
181.80060	0.9
185.11806	8.8
196.11221	1.0
203.12856	19.7
204.13069	1.3
221.53992	0.8
229.07109	2.3
230.11800	1.4
286.86081	0.9
287.13873	4.0
290.08560	1.7
331.12973	1.9
365.11713	28.2
365.18073	100.0
366.11963	2.8
366.18457	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	365.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.9
57.03423	3.6
58.00599	3.6
59.01372	97.1
60.01699	1.6
69.77496	1.3
69.77910	2.7
71.01373	90.6
72.01720	1.9
72.99304	4.7
73.02939	18.9
75.00836	1.1
83.01368	10.4
85.02941	32.0
85.71613	0.7
87.00881	4.6
87.04515	2.1
89.02432	65.9
90.02829	1.4
95.01379	5.5
97.02989	1.1
97.06562	3.2
98.20142	1.9
99.00877	6.5
101.02428	70.7
102.02791	1.7
113.02435	37.9
114.02782	1.0
115.07608	1.0
119.03490	23.7
125.02421	1.8
129.01926	1.0
131.03455	3.5
143.03506	7.5
149.04524	2.3
159.02959	4.9
161.04523	40.3
162.04866	1.0
179.05582	12.1
180.05865	0.7
193.51993	0.7
203.12846	10.7
345.18732	0.8
365.05115	2.6
365.18091	100.0
366.18427	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	365.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81843	0.5
55.01860	1.9
57.03435	1.7
58.00595	0.7
59.01097	1.0
59.01377	19.7
67.99556	0.5
70.06969	2.4
71.01381	17.6
72.99303	1.3
73.02939	6.8
83.01372	4.5
85.02946	8.1
87.00861	1.3
87.09772	0.5
89.02449	3.7
92.71226	0.7
95.01364	1.3
99.00856	1.6
101.02435	14.4
111.00867	1.0
113.02439	5.7
119.03419	0.9
131.32393	0.5
141.81963	0.6
161.04564	1.4
185.11813	4.3
201.11360	0.7
203.12839	5.3
245.76622	0.6
246.72845	0.7
329.16180	0.7
347.17056	22.4
348.17514	2.2
365.18100	100.0
366.18475	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	365.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09357	0.5
51.90374	0.5
55.01866	2.0
57.03433	2.5
58.00572	1.1
59.01375	23.5
62.83487	0.6
64.23811	0.6
71.01375	17.7
71.05020	1.3
72.99299	1.3
73.02940	4.9
80.66261	0.6
83.01388	2.9
85.02937	8.2
86.00063	0.9
87.00864	0.8
89.02429	5.8
95.01382	1.3
99.00879	1.4
101.02435	13.9
111.00845	0.9
113.02442	6.1
119.03500	2.0
122.62083	0.6
131.62114	0.6
134.29633	0.5
157.12308	1.0
161.04507	1.2
167.10716	1.2
173.08231	0.9
185.11789	6.7
203.12860	5.9
329.15854	1.0
347.17050	24.2
348.17264	2.4
363.16241	0.8
365.18091	100.0
366.18423	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	365.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
57.03438	2.5
58.00598	0.9
59.01374	24.3
69.96388	1.1
69.96798	1.7
71.00985	1.1
71.01372	16.9
71.05006	0.9
72.99300	1.2
73.02943	5.3
83.01373	4.1
85.02946	8.0
87.00848	1.4
89.02438	6.5
95.01395	1.2
98.20409	1.6
99.00863	1.0
99.08186	0.8
101.02435	14.6
111.00853	0.9
111.08088	1.1
113.02434	6.5
119.03502	2.2
125.46806	0.6
159.03104	0.6
161.04555	0.8
167.10738	1.8
173.08183	0.5
185.11792	6.0
201.11366	0.9
203.12869	5.8
347.17047	24.2
348.17300	3.1
365.18091	100.0
366.18454	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	365.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06157	0.4
55.01873	1.0
57.03423	0.5
59.01375	8.9
65.52841	0.4
71.01380	8.5
72.99294	0.6
73.02942	4.1
83.01385	2.7
83.71318	0.4
85.02946	4.7
86.00085	0.7
87.00850	0.7
89.02428	1.5
94.05792	0.4
95.01399	0.7
98.20248	3.0
99.00874	1.2
101.02436	9.9
109.33553	0.4
111.00935	0.4
113.02434	3.2
119.03452	0.4
136.94406	0.4
157.12312	3.0
185.11775	0.5
185.89192	0.4
187.09755	0.7
203.12840	5.6
204.13203	0.8
229.44260	0.6
347.17081	1.2
365.18103	100.0
366.18433	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	365.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.5
58.00588	4.3
59.01372	100.0
64.59166	1.4
64.59534	1.5
71.01373	54.6
72.99296	4.4
76.09988	1.4
78.76051	1.2
83.01341	2.2
85.02940	83.4
85.31950	1.3
86.03251	1.7
87.00879	2.7
89.02431	77.5
89.36546	1.4
95.01404	2.8
95.08667	1.6
101.02431	28.7
109.06593	5.7
111.04504	2.2
111.08104	1.5
113.02439	25.0
119.03501	35.2
119.04987	1.6
121.06600	14.8
123.08085	1.5
127.00394	1.9
127.07636	5.2
132.57423	1.4
135.04427	1.9
137.06088	7.8
139.07629	35.2
143.03497	7.8
149.04584	3.1
153.05606	2.4
157.08684	3.6
161.04559	5.5
165.05551	32.7
166.05884	2.3
171.06627	8.0
179.05577	27.0
183.06595	14.5
185.11792	44.4
186.12193	2.3
196.50922	1.5
201.07655	6.7
208.42841	1.6
227.05513	14.6
229.06961	2.9
240.25975	1.4
250.36098	1.8
290.87869	1.4
321.13379	2.2
347.11340	6.8
365.12347	19.8
365.18011	9.8
366.12637	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	365.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.5
58.00588	4.3
59.01372	100.0
64.59166	1.4
64.59534	1.5
71.01373	54.6
72.99296	4.4
76.09988	1.4
78.76051	1.2
83.01341	2.2
85.02940	83.4
85.31950	1.3
86.03251	1.7
87.00879	2.7
89.02431	77.5
89.36546	1.4
95.01404	2.8
95.08667	1.6
101.02431	28.7
109.06593	5.7
111.04504	2.2
111.08104	1.5
113.02439	25.0
119.03501	35.2
119.04987	1.6
121.06600	14.8
123.08085	1.5
127.00394	1.9
127.07636	5.2
132.57423	1.4
135.04427	1.9
137.06088	7.8
139.07629	35.2
143.03497	7.8
149.04584	3.1
153.05606	2.4
157.08684	3.6
161.04559	5.5
165.05551	32.7
166.05884	2.3
171.06627	8.0
179.05577	27.0
183.06595	14.5
185.11792	44.4
186.12193	2.3
196.50922	1.5
201.07655	6.7
208.42841	1.6
227.05513	14.6
229.06961	2.9
240.25975	1.4
250.36098	1.8
290.87869	1.4
321.13379	2.2
347.11340	6.8
365.12347	19.8
365.18011	9.8
366.12637	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	365.2691
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01372	2.2
70.51926	0.6
70.52275	1.4
85.06596	2.5
102.86119	0.4
113.02454	0.5
191.31270	0.5
199.13388	1.8
251.20172	0.6
261.18716	0.8
277.21753	0.6
279.19626	18.0
279.22748	0.9
280.19913	1.5
283.26489	0.6
347.25851	6.1
363.25720	0.7
365.26913	100.0
366.27271	14.6
371.01486	0.6
375.90585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53971	0.2
59.01377	0.7
70.88559	0.6
71.01373	0.8
73.02940	1.3
75.00879	0.3
83.05006	0.3
85.02940	1.0
87.00854	0.3
89.02468	0.3
89.03973	0.7
93.03439	0.7
97.02940	0.3
111.04489	0.8
113.02442	0.6
116.05047	3.5
117.03464	2.5
117.05564	0.9
132.04559	0.3
134.03726	25.5
137.02402	0.3
149.06061	1.9
151.08127	0.2
155.03502	0.7
159.03287	0.5
160.04019	100.0
161.04381	5.5
167.36458	0.2
173.04529	1.0
173.48027	0.2
174.82462	0.2
191.05586	1.3
193.05031	27.9
204.03003	4.4
216.11346	0.2
249.06061	1.4
315.88107	0.2
362.00378	0.2
366.08234	18.2
367.09210	1.8
367.12488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	1.0
59.01366	2.3
67.01878	2.7
71.01382	0.5
71.61674	0.5
76.24357	0.4
81.03446	1.1
83.01372	0.4
85.02969	0.9
93.03458	0.7
95.04989	0.5
96.00903	5.1
96.95989	3.1
97.01691	1.8
99.04510	1.8
100.07685	0.7
109.06567	1.5
110.09730	1.7
124.07680	2.5
126.09297	0.6
128.10794	4.1
130.08722	56.9
131.09062	2.1
135.08138	1.6
141.05594	0.5
152.07179	0.7
154.08716	100.0
155.09064	5.1
156.06616	0.9
156.32411	0.4
161.09671	0.6
164.10757	0.4
164.14325	0.4
172.09758	2.3
172.66805	0.4
174.11380	0.5
179.07121	1.3
181.08705	2.5
191.05580	0.8
192.13889	0.8
201.93466	0.4
208.13309	0.5
218.15607	0.4
220.10017	0.4
246.18666	4.1
247.18817	0.4
287.22415	0.5
290.17590	10.3
291.17883	1.0
322.20114	3.1
334.16537	10.0
335.16846	1.1
366.19131	8.5
367.13794	2.0
367.18146	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	366.1917
Annotation	Isariotin D
Peak:m/z	Relative Intensity
58.02971	4.0
59.01381	3.3
70.39622	2.0
71.01379	0.9
72.99277	0.6
73.02949	0.6
78.95887	1.1
81.03429	1.4
85.02947	1.4
95.05015	2.1
96.95983	2.1
97.02944	0.5
109.06629	0.9
115.00394	0.7
116.07160	3.7
123.04539	0.8
124.11279	1.3
130.67868	0.6
135.02957	0.8
135.04434	0.6
135.08151	1.5
142.12355	9.3
144.10283	100.0
145.10670	3.9
152.99577	1.3
161.04552	0.7
168.10318	2.6
177.09187	1.7
179.07028	1.2
181.08626	1.0
186.11343	2.7
191.05608	0.8
260.20242	1.4
304.19012	2.9
307.10376	1.6
322.20190	12.7
323.20599	1.8
348.18127	6.1
349.18274	0.5
366.19168	45.8
367.19589	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	366.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84700	0.7
59.01357	3.5
71.62500	1.1
75.00848	0.8
91.68085	0.7
104.05075	1.0
120.04538	1.9
132.04529	1.4
134.03703	1.7
146.06093	3.7
148.07672	46.5
149.08018	1.5
173.04497	1.4
193.05072	1.5
277.21655	11.9
305.21182	2.6
320.31894	0.9
366.24304	100.0
367.24658	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
60.99314	0.4
63.84307	0.3
67.01878	2.8
69.47291	0.3
69.50768	2.5
71.01365	1.6
81.03436	0.5
83.05022	0.6
85.02944	0.5
87.00870	0.4
93.03448	14.8
94.03786	0.6
109.02921	0.7
111.00879	0.8
111.04508	3.2
117.03457	0.9
132.65439	0.3
134.03725	10.3
135.04066	0.5
137.02417	3.3
144.29860	0.3
149.06064	0.4
155.03481	4.2
156.50208	0.3
169.50407	0.3
173.04526	100.0
174.02565	0.3
174.04851	4.3
179.36688	0.3
180.51314	0.3
191.05571	7.6
193.05038	16.3
194.05257	0.5
287.94016	0.3
358.81036	0.4
359.22546	0.3
367.10321	4.5
368.10699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57717	0.3
59.01372	1.0
67.01896	0.7
71.01371	0.8
71.18975	0.6
71.19321	0.3
73.02927	0.5
81.03459	0.4
85.02943	6.4
87.00886	1.4
93.03445	5.1
93.21117	0.3
99.00793	0.3
99.04493	0.4
100.04050	0.3
101.96972	0.3
109.02930	0.5
111.04500	1.5
127.04027	1.7
134.03725	3.8
141.77832	0.3
160.01662	0.5
171.02939	0.6
173.04555	5.2
175.03992	0.4
190.19766	0.3
191.05585	100.0
192.05913	3.9
193.05031	2.3
294.46240	0.3
367.10254	2.1
391.31967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90542	0.7
58.02959	1.9
59.01366	1.9
60.08673	0.7
63.47038	0.6
67.52801	0.8
69.37934	6.0
71.01362	0.7
95.05049	0.9
97.25480	0.7
98.19870	1.0
123.08068	0.8
128.10788	8.1
130.08717	100.0
137.06125	0.9
151.07631	1.5
172.09772	8.0
307.10260	1.5
324.18091	35.6
350.16034	1.1
368.17081	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	16.9
60.98342	3.4
61.98830	16.8
71.62114	4.7
85.02927	3.8
93.03433	6.0
96.95969	3.4
108.61723	2.9
111.08134	8.8
169.12341	4.4
171.10124	4.2
173.04504	4.9
191.05594	9.9
193.05072	3.7
197.11783	38.2
211.13293	4.2
222.77948	3.6
233.11478	7.9
269.07959	8.8
291.19583	6.8
307.10226	7.8
309.20532	16.5
353.57895	3.2
367.16580	100.0
367.24799	6.6
368.16821	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	367.1648
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01374	16.9
60.98342	3.4
61.98830	16.8
71.62114	4.7
85.02927	3.8
93.03433	6.0
96.95969	3.4
108.61723	2.9
111.08134	8.8
169.12341	4.4
171.10124	4.2
173.04504	4.9
191.05594	9.9
193.05072	3.7
197.11783	38.2
211.13293	4.2
222.77948	3.6
233.11478	7.9
269.07959	8.8
291.19583	6.8
307.10226	7.8
309.20532	16.5
353.57895	3.2
367.16580	100.0
367.24799	6.6
368.16821	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	367.1788
Annotation	Nitropyrrolin C
Peak:m/z	Relative Intensity
51.03901	0.3
53.01563	0.3
58.69437	0.3
59.01353	1.2
65.39552	0.4
67.01868	0.5
71.01381	0.9
71.53403	0.7
72.28469	0.4
76.54300	0.3
79.95741	1.4
84.84296	0.4
93.03416	1.9
93.55977	0.3
96.95996	100.0
97.60027	0.3
101.02458	0.4
111.04494	0.6
116.07163	2.4
121.02890	0.4
123.11464	0.4
134.03816	0.4
135.03003	1.2
137.02419	0.5
139.27725	0.3
140.02068	0.3
152.99512	0.8
155.03493	0.5
173.04512	6.5
178.62491	0.4
191.05586	1.4
193.08733	0.5
203.03319	0.5
205.12279	0.9
207.12868	0.4
222.54541	0.4
229.01103	0.5
247.02142	1.8
287.22232	13.0
288.22516	1.0
307.10193	0.4
323.08862	0.4
345.30890	0.4
367.08072	1.5
367.17886	64.0
368.17908	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	367.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89391	3.3
59.01376	20.0
61.98822	100.0
71.01386	5.7
72.01212	3.8
73.10513	3.5
93.03442	8.0
98.20718	7.0
106.29466	4.0
110.52324	3.6
121.02950	3.9
134.03717	16.8
136.54518	3.4
173.04561	20.8
191.05566	7.0
193.05061	16.0
199.13248	5.0
235.16959	3.9
291.19769	6.3
307.10410	4.1
308.26590	4.4
309.20615	6.9
367.16547	36.7
368.16504	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	367.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39479	0.3
54.81368	0.3
56.52048	0.3
56.69105	0.3
59.01372	7.4
61.98820	0.5
69.03441	0.6
70.11141	1.2
71.01375	1.4
72.99313	0.4
79.43089	0.3
84.06601	0.3
85.32178	0.3
85.33214	0.3
89.02429	3.0
90.97769	0.3
91.03999	14.6
92.04295	0.3
93.03413	0.4
98.20580	0.4
102.48630	0.3
111.08135	0.9
113.09721	0.5
117.08836	0.3
121.02938	0.6
121.10198	0.4
161.04448	0.4
171.10300	1.4
179.14412	1.0
181.12358	0.3
189.27293	0.3
191.05544	0.4
195.13884	8.4
196.14348	0.6
205.12234	0.5
205.15936	1.0
211.13318	0.4
223.13358	6.5
224.13707	0.5
228.13585	1.0
256.13074	1.8
262.11880	0.8
275.17255	0.5
275.20129	7.7
275.23120	0.5
276.20416	0.9
293.21188	100.0
294.21500	11.3
295.22717	2.5
307.10501	0.6
309.20706	0.4
331.18994	0.3
342.70688	0.3
367.16763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	0.6
59.01374	7.6
61.98825	1.0
71.01375	1.0
71.05015	0.5
72.99299	0.6
73.64704	0.4
73.74854	0.5
74.66617	0.5
74.99068	0.5
81.65916	0.4
89.02425	4.8
91.03999	14.8
93.03458	0.6
101.02447	0.6
113.09684	0.6
121.02930	0.6
124.62440	0.4
141.09283	0.6
161.04572	0.6
161.88634	0.4
167.10806	0.5
171.10228	2.1
179.14359	1.2
191.05588	0.6
195.13899	8.8
196.14363	0.7
203.10699	0.8
205.12340	0.7
205.15990	0.9
223.13396	5.4
228.13652	0.9
256.13068	2.1
275.20120	8.3
276.20541	0.8
293.21188	100.0
294.21530	12.9
295.22766	1.8
304.04871	0.4
307.10297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
58.03732	0.8
59.01366	4.5
60.01718	0.7
60.99284	3.0
61.54408	0.6
61.98820	2.4
67.01881	7.0
67.40781	0.6
68.02214	2.2
69.03460	1.4
70.89126	0.9
70.89442	1.3
71.01366	3.8
71.80518	0.6
72.01710	1.1
81.03466	1.5
83.05029	1.2
85.02943	8.8
86.03275	2.1
87.00861	9.1
88.01197	1.7
89.02426	0.9
89.03969	0.7
93.03448	37.7
94.03788	19.9
99.04530	1.0
101.02448	1.5
102.68716	0.6
109.02924	1.2
110.48036	0.8
111.04508	7.1
112.04850	2.9
113.02456	0.9
117.03465	1.7
123.46766	0.6
127.04000	1.3
129.01901	1.6
133.02939	1.0
134.03735	15.1
135.04042	13.1
137.02432	1.0
138.02756	0.8
149.06056	1.2
150.06392	1.0
155.03519	2.1
156.03868	0.9
173.03348	0.6
173.04527	26.3
174.04865	16.8
191.05585	100.0
192.05928	69.2
193.04767	2.1
193.06071	5.3
194.05408	6.8
295.22446	0.8
350.17996	2.1
368.10583	9.0
368.18808	6.4
369.11160	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	368.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43055	0.4
58.02968	1.6
59.01372	3.8
71.01363	0.5
71.43895	0.4
95.05043	1.1
109.06572	0.8
115.43851	0.5
128.10805	9.7
129.11169	0.6
130.08722	100.0
131.09097	4.1
137.06052	0.6
147.04497	2.2
149.09734	0.6
151.07605	1.1
172.09766	10.8
224.25732	0.5
324.18112	41.6
325.18512	3.9
350.15775	0.6
368.17102	14.5
369.17374	2.0
381.89133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1708
Annotation	Rosmarinine N-oxide
Peak:m/z	Relative Intensity
58.02953	1.5
59.01373	1.4
64.56126	0.6
65.61353	0.6
69.03453	0.8
70.23305	0.5
71.01386	0.7
83.01366	0.6
85.02949	0.6
95.04998	1.1
97.02956	1.3
123.08161	1.9
128.10811	7.6
130.08722	100.0
131.09071	4.1
133.06532	0.8
139.03963	0.9
149.09630	1.3
151.03961	0.8
151.07593	2.3
154.08780	0.8
154.12378	0.9
172.09775	8.4
193.08691	0.7
195.06551	0.8
198.11270	1.1
201.21983	0.6
206.43417	0.5
223.13295	0.9
250.03722	0.6
262.18134	0.6
270.13409	0.9
306.17047	1.7
324.18130	13.2
325.18335	1.6
350.16006	3.6
368.17084	35.9
369.17480	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	368.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	10.2
61.98823	100.0
64.95992	1.8
67.57664	1.6
71.61954	2.2
71.62363	2.3
73.98311	7.8
74.99090	13.8
82.77920	1.6
91.28023	1.7
94.83339	1.6
161.13286	1.7
183.13904	2.2
184.14203	1.9
202.27957	1.8
237.33492	1.6
293.21173	6.9
294.21555	9.5
296.23071	3.1
308.10895	2.2
366.75500	1.9
369.16953	3.3
369.21497	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	369.082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.0
60.99291	2.3
61.98810	2.9
65.02107	0.7
67.01888	6.4
69.03449	1.1
70.19299	3.5
71.01383	4.5
72.77168	0.9
72.99283	1.3
80.17924	0.8
81.03403	1.0
83.05022	1.5
84.08041	0.7
85.02946	8.5
87.00861	11.7
87.16838	0.8
93.03442	48.2
94.03752	1.3
95.04972	1.0
96.53900	0.8
105.03449	4.4
107.05024	1.1
109.02921	3.0
111.04498	7.1
113.02448	0.8
121.02890	1.3
122.03741	0.7
123.04515	18.1
123.38896	0.9
127.03967	2.2
129.01894	0.9
130.94244	0.8
133.02931	34.8
134.03287	1.6
135.04491	3.0
149.02402	1.3
151.03970	3.3
155.03476	2.2
173.04523	39.7
174.05013	0.9
177.01892	10.9
179.03444	1.1
191.05582	100.0
192.05914	5.2
195.02959	12.9
196.03165	1.0
215.05585	6.6
307.08371	1.0
351.07135	8.6
352.07471	0.9
369.03693	1.2
369.08209	16.4
370.08398	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	369.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93464	0.9
59.01370	5.3
60.99297	2.8
61.34147	0.9
61.98816	1.6
67.01885	7.5
69.03468	1.7
69.44828	2.4
69.45235	4.8
71.01380	4.4
73.02939	1.3
81.03461	1.6
83.05022	1.2
85.02943	9.4
87.00863	10.7
93.03448	51.9
94.03796	2.1
95.05052	1.0
98.20185	4.0
99.00842	1.4
99.04533	1.1
105.03448	3.3
107.05043	2.6
109.02929	4.2
111.00830	1.1
111.04511	7.7
113.02417	1.0
117.42532	0.8
122.03733	1.1
123.03710	1.7
123.04523	22.4
124.04864	1.1
127.04005	2.5
129.01872	1.1
133.02937	32.8
134.03221	1.1
135.04480	2.7
137.02443	1.5
149.02411	2.1
151.03976	3.9
155.03470	1.3
171.02950	1.0
173.04520	39.0
174.04863	1.6
177.01888	14.3
179.03520	2.2
191.05583	100.0
192.05894	7.0
193.06160	1.6
195.02957	13.7
215.05641	5.2
274.07986	0.9
282.20001	0.9
307.08350	1.6
334.13519	1.0
351.07208	9.1
369.08170	20.7
370.08469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.7
57.03444	4.9
58.00590	2.0
59.01374	39.2
60.01726	0.8
61.98823	2.5
62.13719	0.6
62.63585	0.7
67.01874	0.9
69.03452	2.2
69.28176	0.6
70.52238	1.2
70.52567	0.9
71.01377	63.8
72.01722	1.3
72.99308	2.6
73.02938	29.2
75.00862	2.9
78.95897	12.0
81.03440	1.6
83.01378	11.3
85.02426	1.6
85.02944	32.3
86.03301	0.7
87.00881	5.6
89.02438	22.4
92.01424	0.7
92.64072	0.7
93.03457	3.7
93.59935	0.9
95.01389	4.2
96.95995	1.4
96.96950	19.4
97.02952	2.7
98.20620	0.9
99.00872	16.3
99.04591	0.7
101.02435	63.8
102.02780	1.8
104.42603	0.7
105.03474	0.8
106.13943	0.7
109.02942	1.6
111.00873	2.2
111.04475	1.3
113.02435	26.4
115.03992	4.8
119.03458	2.1
123.04523	2.4
125.02438	6.9
129.01935	2.1
131.03506	5.6
133.02950	5.1
134.03719	1.2
135.50459	0.8
143.03506	3.6
149.02568	0.7
149.04544	5.3
151.03949	2.6
153.01894	0.7
159.02946	5.9
161.04538	33.8
162.04840	1.1
173.04538	3.5
177.01910	1.5
191.05577	11.4
192.05911	0.7
195.02942	3.5
205.03529	2.0
223.04581	1.5
233.06625	5.1
237.09763	81.4
238.10092	5.0
275.07852	0.9
293.08795	2.7
345.43112	0.7
348.47833	0.7
351.07196	1.1
369.13971	100.0
370.14322	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	369.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90724	5.3
57.03437	14.6
59.01371	100.0
69.03423	5.5
71.01385	49.9
71.61330	6.5
81.14435	6.0
81.25237	5.8
85.02945	14.1
89.02434	52.9
90.02626	6.0
91.40164	5.6
93.03455	28.1
95.01363	6.5
96.96020	12.8
101.02431	23.1
110.48174	5.2
111.04496	7.4
113.02426	14.7
117.00151	8.8
119.03477	20.2
119.04881	7.1
130.08714	25.1
131.09058	15.6
135.04453	6.8
137.09697	9.9
148.04294	7.3
150.87556	7.1
173.04556	86.8
175.07587	8.0
176.07968	11.9
183.10176	19.8
219.39166	6.4
223.13229	8.6
257.13617	6.0
267.12369	7.2
303.91812	5.6
325.18225	7.8
351.16409	8.7
370.13495	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	369.243
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
59.01364	1.1
61.98819	1.1
67.97223	0.5
69.40479	4.3
69.40888	1.4
70.24749	0.6
71.43525	0.7
104.02605	0.7
117.07092	0.7
128.84460	0.7
133.10245	2.5
147.08138	1.2
151.11259	0.9
161.09711	1.6
163.11273	100.0
164.11591	6.6
179.10764	17.7
179.12352	0.6
180.11133	1.4
187.11281	0.9
193.12328	21.9
194.12663	2.1
286.51071	0.6
309.22000	0.8
324.39740	0.6
337.21701	11.8
338.22015	1.4
369.24292	79.9
370.24649	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	369.3005
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
59.01379	2.6
61.98822	7.3
63.33460	1.4
66.80063	1.3
70.73679	3.5
82.05134	1.2
95.50858	1.1
141.85667	1.3
143.27248	1.3
175.67662	1.1
179.42249	1.2
206.18420	1.2
217.20045	1.5
305.28360	1.5
307.30002	63.8
308.30347	10.4
325.30869	1.4
351.28995	18.7
352.29349	2.5
369.11887	1.8
369.30057	100.0
370.30347	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	370.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98359	0.4
59.01377	1.0
61.23998	0.4
61.98822	100.0
71.52484	0.7
72.01862	0.4
88.17059	0.4
114.34439	0.4
121.02924	7.4
128.37347	0.4
136.05234	0.5
155.55925	0.4
157.58389	0.4
179.03526	1.0
188.54715	0.4
214.46928	0.4
223.45778	0.6
285.20810	0.6
371.07654	1.3
371.14935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86654	0.7
59.01371	3.8
61.98822	100.0
62.05921	0.6
71.61273	0.9
83.01384	2.4
110.71722	0.7
120.38336	0.6
121.02939	0.8
136.05292	0.6
145.79288	0.6
160.24385	0.7
356.12411	1.0
370.17270	0.9
371.15088	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	30.6
69.83771	7.8
69.84175	3.3
71.01382	14.6
72.99311	2.0
73.02950	3.0
75.90867	1.5
80.46680	1.5
83.01350	1.9
89.02435	11.6
90.75401	1.8
98.19974	2.6
98.20589	3.3
101.02435	17.6
109.02908	4.6
113.02423	2.5
114.88491	1.6
115.04079	1.6
119.03488	6.9
123.68285	1.7
131.03485	1.8
133.02951	24.2
134.03664	4.9
135.04514	97.1
136.04828	4.8
149.06059	6.3
161.02428	96.4
162.02678	4.1
175.04004	9.0
177.05536	10.3
179.03482	100.0
180.03796	6.4
189.05508	4.1
191.05708	3.2
200.18350	1.7
203.03477	56.8
204.03802	4.1
207.06706	3.5
208.72017	1.8
221.04491	6.6
233.04492	6.2
251.05611	8.2
281.06628	35.5
282.06897	3.9
311.07645	5.2
371.09894	12.4
371.14249	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	371.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03447	4.9
58.00126	0.9
58.54676	0.8
59.01381	10.5
67.01887	1.6
69.03460	1.0
69.57767	1.0
71.01379	14.6
71.18764	2.0
72.99303	4.9
73.02925	2.6
74.99100	1.3
75.00876	5.3
83.01371	4.4
85.02932	6.7
87.00869	14.2
89.02438	6.4
89.03958	2.7
93.03442	1.5
95.04987	2.4
99.00869	2.9
101.02429	2.6
103.00356	3.4
104.40514	1.1
105.01923	45.0
111.00865	8.2
113.02424	1.3
115.04002	3.3
117.03465	8.4
120.99644	2.6
121.02937	11.8
123.04508	2.8
129.01929	26.6
131.03419	1.4
134.03723	100.0
135.04001	4.7
137.02411	3.8
139.00389	1.2
142.00375	1.0
147.02969	22.6
147.04356	1.2
149.02438	16.0
149.04431	1.1
149.04924	1.1
149.06076	10.2
150.03024	1.3
150.06363	1.3
151.64346	1.0
153.09152	1.2
160.01637	1.8
163.04013	1.7
164.04747	11.1
165.03969	2.8
165.05498	3.6
173.04538	3.1
174.06830	1.3
175.03998	2.9
177.04028	48.9
178.02675	6.6
178.04176	2.1
191.03575	1.2
191.07088	1.4
193.05029	86.1
194.05338	4.9
195.05061	30.1
195.06450	0.9
196.05312	1.3
197.08107	2.6
223.06078	19.8
224.06313	1.1
233.08208	2.1
235.06113	1.6
265.07098	2.4
305.06674	1.5
323.07715	2.4
353.08707	9.2
371.09750	40.5
372.10266	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	371.0975
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
53.21038	0.2
55.01835	0.2
57.03426	0.5
57.03907	0.2
58.00583	0.4
59.01372	12.0
60.01711	0.3
67.01882	1.5
68.99811	1.5
69.03445	3.1
69.51539	0.4
69.51942	1.2
71.01376	7.9
72.99286	0.7
73.02932	0.7
75.00852	0.2
81.03444	0.2
83.01377	0.8
85.02938	1.8
87.00862	0.8
89.00639	0.8
89.02435	7.6
93.03444	3.0
93.07103	0.2
94.03815	0.2
95.01371	2.4
95.05016	27.3
96.05357	0.8
98.19859	0.3
99.00893	0.4
101.02438	5.0
103.05531	0.3
105.03458	0.3
106.04231	0.8
108.02174	1.0
111.00867	20.2
111.04501	0.5
112.01181	0.7
113.02438	3.4
119.03497	3.1
119.04957	1.4
121.02941	100.0
121.06564	5.3
122.02376	0.2
122.03271	4.0
122.06873	0.2
123.04509	28.3
123.61844	0.2
124.04868	1.4
125.02415	0.3
129.01953	0.3
131.03484	0.3
134.03688	0.2
135.04472	0.6
137.02428	0.6
137.06064	2.3
139.00359	17.9
140.00690	0.8
143.03506	0.4
146.03728	0.2
147.04501	2.3
149.01224	0.3
149.02425	4.3
149.04419	0.3
149.05899	0.2
150.02737	0.2
153.05565	0.3
153.09163	0.9
161.04587	1.1
163.03972	0.4
164.04744	0.5
165.05542	36.6
166.05855	2.0
173.04523	2.8
179.05586	0.8
181.05029	4.1
191.03464	2.2
191.05499	0.8
191.07062	0.3
195.03157	0.2
197.08134	0.6
209.04503	1.9
210.04890	0.2
223.06052	0.7
225.05826	0.3
268.07736	0.2
283.06366	0.7
327.10733	1.3
371.09756	30.7
371.13144	1.1
372.10068	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	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.6
63.72309	0.7
64.51252	0.6
71.01365	3.4
73.02941	6.2
75.00876	0.6
75.68324	0.7
85.02925	1.0
87.00869	3.0
89.02431	1.7
91.05539	1.1
93.03426	1.6
98.19854	1.8
99.00862	1.0
101.02447	0.8
101.87190	0.7
105.01915	3.3
111.00851	1.1
117.03445	2.9
119.05061	0.8
120.99631	1.1
121.02927	11.8
122.03266	0.8
123.53136	0.6
129.01949	1.6
132.02107	1.4
134.03716	16.8
147.02972	2.8
147.04514	6.0
148.05771	0.6
148.07538	0.7
149.02422	78.1
149.06067	1.7
150.02760	3.3
152.01109	1.0
153.09219	2.0
163.03969	1.0
164.04771	53.4
165.03935	0.8
165.05173	3.0
173.04526	1.7
177.04021	2.4
178.02672	1.4
179.03453	1.0
179.07123	2.7
179.72234	0.7
193.01352	1.6
193.05034	16.5
194.05508	1.4
195.05054	2.0
197.08200	6.7
208.03741	3.1
223.06079	100.0
224.06425	6.7
371.09796	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	371.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
59.01381	5.3
61.12501	1.0
66.26427	0.9
70.00168	1.1
70.44584	2.1
71.01373	4.2
73.02959	1.7
75.00854	4.7
83.01382	1.4
85.02911	1.6
87.00874	2.1
89.02410	2.2
90.06312	1.1
93.03451	3.2
94.03738	1.2
98.19975	1.4
99.00871	5.1
101.02437	2.1
120.99640	2.5
121.02934	16.2
132.02097	1.4
134.03723	2.5
137.02415	1.4
147.02982	10.1
147.04475	4.1
149.02423	69.0
150.02740	3.1
163.04021	2.0
164.04774	54.5
164.59114	1.2
165.04007	9.0
165.05190	2.5
173.04515	6.5
174.04829	1.3
175.05016	1.9
176.05281	1.3
179.07080	4.1
191.05559	1.4
193.01379	3.0
193.04997	1.7
206.23167	1.1
208.03702	6.3
223.06085	100.0
224.06482	8.3
241.57927	1.2
249.06067	2.4
371.09677	8.1
389.91095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1189
Annotation	D-alpha-D-Hep-(1->6)-beta-D-Glc
Peak:m/z	Relative Intensity
57.03428	1.5
59.01091	2.8
59.01376	40.3
59.01673	2.5
61.98824	9.5
69.03452	9.4
69.30405	11.3
71.01375	25.2
72.99284	6.1
73.01163	1.2
73.02961	3.2
74.99089	1.3
75.00867	7.6
83.01387	2.9
85.02942	10.4
87.00871	21.2
89.02429	27.3
93.03470	1.5
95.01379	1.6
97.02948	11.4
99.00864	2.2
101.02436	18.3
103.04041	2.0
113.02454	7.8
115.03986	2.2
119.03504	8.1
121.03362	1.4
129.01880	1.5
131.03471	2.1
135.04501	2.3
141.01913	4.2
143.85420	1.2
148.07671	2.1
151.03981	1.6
152.07159	4.0
154.05046	1.3
161.02393	1.7
173.04527	1.7
179.05626	3.4
191.05626	6.5
209.03081	2.2
235.06113	1.6
286.93634	1.6
311.12997	1.8
319.64569	1.4
371.11859	100.0
372.12277	8.3
378.48257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69330	0.4
57.03436	1.0
57.04267	0.4
58.25684	0.5
58.94602	0.4
59.01092	0.5
59.01375	9.9
60.99284	0.9
67.01885	5.3
69.03432	1.0
70.61333	1.0
70.61678	0.6
71.01368	4.1
73.02964	0.6
75.00873	0.5
81.03445	1.0
83.01365	1.2
83.05013	1.2
85.02921	0.9
89.02435	0.6
93.03446	27.9
94.03790	1.2
109.02964	1.2
111.00862	1.4
111.04498	5.5
113.02448	0.7
119.08630	0.7
127.03919	0.5
135.02954	0.7
135.08206	1.0
137.02434	5.0
153.09195	25.2
154.09547	1.3
155.03481	6.7
173.04526	100.0
174.04875	5.1
176.07088	0.5
191.05576	0.7
197.08170	16.3
198.08554	1.0
253.49379	0.4
279.88675	0.5
297.94809	0.4
306.76208	0.5
335.17047	3.5
336.17221	0.6
371.13330	11.2
372.13928	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01368	3.8
65.45102	1.2
67.01882	1.8
67.80657	1.3
69.78278	3.3
69.78685	2.8
71.01376	1.8
73.02927	5.7
75.00861	5.1
81.03471	1.2
83.01357	1.6
83.05027	2.5
85.02979	1.7
93.03434	14.0
107.08630	1.4
111.04517	10.3
121.02966	1.5
129.01982	1.2
135.08124	1.8
137.02460	1.6
147.02980	1.7
147.04584	1.5
149.02409	12.4
153.09190	100.0
154.09526	3.7
155.03493	7.9
164.04750	9.3
165.03979	8.1
173.04529	45.1
174.04799	2.4
197.08163	94.8
198.08493	6.2
223.06105	12.2
371.09167	1.8
371.13428	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	371.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01359	2.1
60.99286	0.6
67.01884	4.9
69.03448	0.7
69.26927	2.9
70.01256	0.3
71.01372	2.8
73.02947	0.4
81.03438	0.5
83.05021	1.2
85.02944	0.8
87.00856	0.5
93.03446	26.8
94.03764	0.6
98.20660	0.5
109.02939	0.9
111.00846	0.9
111.04516	4.9
113.02479	0.4
135.08223	0.3
137.02423	5.8
138.02765	0.3
153.09192	8.9
154.09572	0.4
155.03479	4.4
156.03801	0.6
173.04518	100.0
174.04872	3.7
190.22995	0.3
191.05569	0.6
197.08148	7.4
284.55231	0.3
371.13397	8.9
371.18076	0.4
372.13864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42283	0.6
59.01374	100.0
60.01722	1.4
60.14598	0.7
71.01401	0.7
71.33887	1.1
93.28062	0.7
94.45967	0.7
113.73322	0.6
137.67946	0.6
197.08305	1.1
203.38283	0.7
207.07170	0.8
269.10294	0.8
392.36310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03321	0.2
51.33280	0.2
52.32176	0.2
57.03437	0.3
58.02962	0.7
59.01371	0.8
69.03450	1.1
69.28576	2.2
71.01376	0.4
73.02950	0.4
75.89294	0.2
83.01391	0.4
91.05539	0.3
93.03451	11.3
94.03754	0.6
95.01376	0.3
98.19885	0.4
105.03420	0.2
107.05013	0.6
107.29053	0.2
108.02168	0.3
108.72861	0.2
109.02956	1.3
117.03436	0.7
121.02943	100.0
122.03256	2.5
122.03739	2.3
123.00896	0.4
123.04530	0.3
124.01632	0.4
133.02908	1.2
134.03697	0.5
135.04507	6.3
136.01656	4.7
137.02423	1.1
145.02924	0.4
146.03738	0.4
147.04535	2.1
149.02357	0.3
149.06065	0.3
149.86359	0.3
151.03981	4.7
154.02673	0.6
159.04495	0.6
160.05231	0.4
161.02368	1.1
161.06065	0.7
162.03203	2.4
163.03984	3.5
164.04948	1.1
164.07155	4.4
173.04535	2.2
174.03241	0.4
175.03960	1.1
177.05580	1.6
179.03476	0.8
188.04781	0.3
190.06377	0.6
191.03365	0.5
191.07043	0.5
197.11809	0.4
241.04901	0.3
255.06540	0.5
256.07361	0.3
271.09732	0.3
279.06519	0.2
281.08307	0.5
296.06964	0.4
296.10486	0.4
311.09323	0.3
326.07822	0.4
326.11450	0.4
341.10147	0.4
356.12598	85.9
357.08542	0.5
357.12924	10.3
371.14941	73.7
372.14899	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	371.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08559	0.5
56.83712	0.5
59.01376	0.8
61.98824	100.0
71.50147	0.4
73.12828	0.4
74.17962	0.4
74.54240	0.5
83.01390	1.3
116.07143	4.1
121.02950	0.8
169.09592	0.5
176.07201	1.7
178.27335	0.6
203.06105	0.5
204.03049	0.7
208.09680	2.6
230.28801	0.5
233.22078	0.4
234.07726	2.2
308.18744	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1447
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
59.01367	0.6
66.03471	0.6
70.74123	1.1
73.94352	0.5
83.59836	0.5
98.19926	0.6
104.05082	0.8
106.06583	0.6
116.05044	2.4
118.02981	2.2
118.06611	16.3
118.07454	0.9
119.06874	0.7
120.04559	2.4
120.08131	0.5
125.64356	0.5
132.04526	0.9
132.08188	1.3
136.04039	0.8
138.51846	0.6
142.02971	0.6
143.03766	1.4
144.04529	9.0
145.05336	5.2
146.02452	2.9
146.06056	0.8
148.04051	3.8
148.07722	3.6
150.09213	0.9
158.06099	2.4
160.04001	7.9
161.04784	2.7
164.03458	0.7
174.05574	1.1
175.06386	0.6
176.03537	1.8
176.07143	75.1
177.07484	5.1
178.08745	0.7
186.01917	4.1
187.02666	1.7
188.03526	1.4
189.04297	4.0
190.04691	0.7
193.03792	1.1
202.05070	22.9
203.05841	19.8
204.02988	12.4
204.06619	22.0
205.03348	1.0
205.06964	1.2
208.09756	100.0
209.10107	7.1
219.05447	0.9
220.06128	9.1
234.07674	95.5
235.07983	5.7
340.11841	5.2
372.14456	13.3
373.14664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	23.2
59.01371	0.9
59.03300	0.3
70.02971	0.8
70.61994	0.3
70.62322	0.6
72.00897	6.4
72.04540	0.9
74.02464	4.7
76.68559	0.3
81.03468	0.4
93.03441	6.6
100.03497	0.2
106.04220	2.5
107.05025	3.3
108.02170	0.5
109.06586	0.3
116.03494	0.8
119.05009	17.6
120.05363	1.0
120.99525	0.3
134.06096	0.8
136.07639	1.5
138.03230	0.3
162.05547	0.8
163.03986	21.6
164.04312	1.0
165.12785	0.3
178.08699	19.9
179.09061	1.4
180.06633	100.0
181.06982	5.7
222.07681	5.9
223.07983	0.3
225.32521	0.3
266.13840	1.5
328.19009	0.4
372.18079	60.8
373.14221	0.3
373.18433	8.6
379.46384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1811
Annotation	(S)-Autumnaline
Peak:m/z	Relative Intensity
57.03434	0.5
58.02970	15.2
69.40048	0.6
69.40452	1.4
72.00900	5.4
72.04547	0.6
73.96484	0.3
74.02468	3.4
81.03462	0.7
82.03004	0.3
83.56887	0.3
90.47549	0.2
93.03455	5.8
94.03787	0.3
95.05011	0.9
97.06569	0.6
98.20673	0.5
98.45422	0.2
106.04231	1.4
107.05009	1.1
109.06585	0.4
119.05014	14.8
120.05340	0.6
123.10944	0.2
134.06058	0.8
136.07683	1.4
162.05568	0.8
163.03995	20.2
164.04321	1.1
165.12846	0.8
178.08711	13.6
179.09042	1.1
180.06638	100.0
181.06992	4.9
203.06053	0.3
208.09673	0.5
222.07698	0.4
234.07642	1.1
266.13858	1.4
328.19095	0.5
372.18094	47.5
373.13834	0.5
373.18478	7.3
395.24316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20674	0.9
59.01373	6.4
61.98823	100.0
71.08403	1.8
72.38846	1.0
78.12411	1.0
118.06615	2.3
121.02934	1.3
144.04532	1.2
151.03946	1.2
171.88615	1.0
176.07133	9.2
192.29221	1.1
202.05014	3.3
203.05885	1.5
204.02936	1.6
204.06607	2.6
208.09752	14.9
220.06079	2.2
234.07677	11.4
257.40060	1.2
372.14603	2.8
373.12222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.1
61.98825	100.0
67.34639	1.2
69.27913	3.4
69.28322	10.8
77.86045	1.3
83.01350	1.6
91.23072	1.7
93.73596	1.3
98.19920	3.2
116.76712	1.3
122.03332	1.3
174.97688	1.6
176.07169	9.9
202.05106	3.2
203.05772	3.1
208.09799	14.2
234.07635	12.6
271.75998	1.7
355.52072	1.8
372.14838	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	373.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
71.01403	0.8
71.05674	1.3
85.02943	5.1
87.00864	1.7
93.03448	2.1
111.04527	1.3
127.03980	1.6
191.05588	100.0
192.05933	5.8
257.46667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86164	0.7
71.30132	1.9
72.17941	0.7
85.02934	7.4
87.00877	2.1
93.03445	3.1
103.01901	0.8
125.97867	0.8
127.03989	1.0
131.10179	0.7
166.60396	0.8
173.04498	0.9
191.05580	100.0
192.05914	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	373.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.8
61.98836	0.9
64.99982	0.6
67.01875	0.9
69.38681	6.1
71.01376	1.1
71.05025	1.2
81.03446	5.7
83.05016	1.3
84.02174	0.7
93.03437	6.0
97.78065	0.6
98.20586	1.1
99.04505	100.0
100.04848	3.7
111.04486	3.4
119.08665	0.7
124.62852	0.7
125.09767	0.7
136.01613	2.0
137.02437	1.6
151.03964	3.2
155.03473	3.8
173.03058	1.4
173.04524	20.0
174.04861	1.0
191.05585	2.9
199.09715	30.2
200.10069	2.0
246.65411	0.7
302.11215	0.6
373.15039	15.3
374.15417	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78031	0.3
57.03439	0.9
59.01367	1.9
60.99300	0.4
67.01881	4.5
69.03441	1.1
71.01369	3.0
81.03448	0.7
83.05022	1.2
83.88147	0.3
85.02935	0.5
87.00870	0.3
93.03447	25.3
94.03784	1.1
98.19827	0.6
105.21162	0.3
109.02940	1.0
111.00884	1.2
111.04503	5.2
113.02428	0.3
127.03996	0.3
132.04526	1.0
135.08051	0.3
137.02412	4.4
137.09708	1.8
155.03502	4.5
155.10760	19.7
156.03850	0.3
156.11095	1.0
173.04520	100.0
174.04852	4.5
180.64311	0.3
191.05579	2.0
199.09729	11.9
200.10062	0.7
276.79794	0.3
297.12473	0.3
373.14972	16.1
374.15298	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	373.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21096	0.6
52.62630	0.6
53.94826	0.6
55.01866	0.9
57.03437	0.8
58.01543	0.7
59.01091	1.1
59.01376	18.7
61.98824	0.6
69.77891	1.6
69.78300	2.9
71.01379	4.8
73.02930	5.6
75.00862	2.1
83.01360	1.0
85.02940	2.9
87.00870	4.0
89.02424	1.0
92.05039	2.1
93.03446	2.6
93.61139	0.7
95.05023	1.4
98.20601	1.2
99.00855	0.9
101.02430	2.4
103.03976	0.8
111.00902	1.2
113.02423	2.4
118.02934	0.9
147.02946	3.1
150.05586	16.0
155.10709	0.8
161.04506	1.7
163.11255	4.7
165.03986	1.0
173.04529	6.6
181.12317	15.3
191.05527	0.9
194.08180	11.5
199.09726	1.4
220.06174	1.4
225.11288	100.0
226.11627	7.7
229.17950	1.1
331.17645	3.9
359.52493	0.6
373.14859	15.8
373.18555	1.7
373.22598	1.2
374.15222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00813	0.5
57.03420	0.5
59.01373	3.1
67.01874	0.5
69.26167	3.3
69.26583	0.9
71.01358	1.2
81.03443	0.8
83.05014	6.3
85.02931	0.5
93.03443	3.3
109.02919	0.4
111.04491	3.3
137.02440	0.6
137.09709	11.8
138.10078	0.8
153.09184	0.5
155.03487	3.8
155.10754	29.4
156.11092	1.6
173.04517	10.2
174.04958	0.5
175.02376	0.5
179.03496	0.8
181.08652	6.0
191.05589	1.8
199.09718	100.0
200.10100	5.2
207.88417	0.4
215.09167	1.3
222.96379	0.5
252.82591	0.5
288.01468	0.4
302.30151	0.4
321.27386	0.4
373.10440	0.8
373.14978	11.8
374.15231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92065	0.5
59.01365	1.4
61.98813	0.8
69.71951	2.4
71.01381	0.5
71.47955	0.5
75.67400	0.5
80.87422	0.5
81.03435	3.4
83.05010	0.8
85.02950	0.9
93.03432	3.8
98.19913	0.5
99.04506	100.0
100.04860	1.9
111.04510	2.4
119.08668	0.8
129.01952	0.6
136.01608	0.8
137.02414	1.0
151.03981	2.1
155.03447	3.3
173.04521	15.3
174.04874	0.8
191.05615	2.6
199.09731	30.0
200.10049	2.2
226.68430	0.6
273.09808	0.6
287.57239	0.6
367.20871	0.6
373.14984	11.9
374.15274	1.4
390.26602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65285	0.6
57.03432	1.2
59.01373	100.0
60.01717	1.0
62.03511	0.7
62.82958	0.8
63.98281	0.7
67.01884	1.5
69.03426	1.6
71.01374	15.6
71.61564	0.9
72.99300	0.8
73.02938	14.0
75.00871	1.0
76.66965	0.7
80.30952	0.6
80.37157	0.7
81.03461	1.0
83.01389	3.0
85.02959	2.7
87.00896	0.8
89.02454	6.4
93.03445	5.3
94.03794	0.9
95.01366	0.8
101.02426	14.1
111.04529	1.0
113.02444	6.6
115.24557	0.6
119.03499	2.6
131.03513	2.1
137.02420	0.9
143.03419	1.0
149.04572	1.1
151.03917	0.9
153.09210	0.9
155.03490	1.6
161.04578	2.8
165.04077	1.4
173.04518	19.6
174.04890	2.6
175.05052	2.4
183.10211	1.8
188.44118	0.8
191.05548	0.9
197.11848	1.6
199.09746	3.7
208.08455	1.6
241.10861	3.4
263.71152	0.7
301.12891	0.8
373.14810	3.9
373.19073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65285	0.6
57.03432	1.2
59.01373	100.0
60.01717	1.0
62.03511	0.7
62.82958	0.8
63.98281	0.7
67.01884	1.5
69.03426	1.6
71.01374	15.6
71.61564	0.9
72.99300	0.8
73.02938	14.0
75.00871	1.0
76.66965	0.7
80.30952	0.6
80.37157	0.7
81.03461	1.0
83.01389	3.0
85.02959	2.7
87.00896	0.8
89.02454	6.4
93.03445	5.3
94.03794	0.9
95.01366	0.8
101.02426	14.1
111.04529	1.0
113.02444	6.6
115.24557	0.6
119.03499	2.6
131.03513	2.1
137.02420	0.9
143.03419	1.0
149.04572	1.1
151.03917	0.9
153.09210	0.9
155.03490	1.6
161.04578	2.8
165.04077	1.4
173.04518	19.6
174.04890	2.6
175.05052	2.4
183.10211	1.8
188.44118	0.8
191.05548	0.9
197.11848	1.6
199.09746	3.7
208.08455	1.6
241.10861	3.4
263.71152	0.7
301.12891	0.8
373.14810	3.9
373.19073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06302	0.3
55.01863	0.6
57.03439	0.4
58.00586	0.4
59.01372	100.0
60.01720	1.4
64.99005	0.3
67.01911	0.8
69.32014	2.5
71.01376	9.2
71.01760	0.6
72.99307	0.6
73.02937	8.1
73.03333	0.5
83.01378	2.4
85.02947	2.4
87.00882	1.2
89.02430	4.9
93.03433	3.5
95.01405	0.7
97.02928	0.4
98.20582	0.6
99.00880	0.5
101.02434	7.0
109.02966	0.3
111.04488	0.5
113.02431	4.2
119.03486	1.5
125.02385	0.4
131.03514	0.6
135.04594	0.4
143.03458	0.4
155.03494	0.7
155.10715	2.0
161.02443	0.3
161.04588	1.2
167.10834	0.4
173.04527	6.8
174.04948	0.7
176.07193	0.3
179.05705	0.4
191.05612	4.0
199.09808	1.5
202.05089	0.4
203.05534	0.7
204.06329	0.4
205.03424	0.4
208.09819	0.4
209.10051	0.5
211.09851	0.3
220.29936	0.3
225.11357	1.2
234.07672	1.2
235.08015	1.7
241.10547	0.4
257.75330	0.3
273.78839	0.3
278.10193	0.4
286.84961	0.3
331.17618	0.4
357.16376	0.4
373.14865	4.0
373.18799	0.4
374.15445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27634	0.3
57.03436	1.5
59.01373	4.2
60.99279	0.4
67.01884	4.3
69.03437	1.2
71.01371	5.0
71.05022	1.9
71.61527	0.5
72.99290	1.1
73.02938	1.3
75.00865	10.1
78.63215	0.3
81.03448	0.9
83.01368	0.5
83.05016	1.1
85.02943	2.0
85.06568	0.5
87.00863	1.1
89.02451	0.8
93.03445	30.0
94.03796	0.9
99.00871	1.3
101.02423	1.2
109.02963	1.1
111.00871	1.2
111.04514	4.4
113.02447	1.0
127.04033	0.5
127.07647	0.5
129.01945	2.5
137.02419	5.5
147.02988	4.4
155.03494	4.6
161.04608	0.5
163.11308	0.5
165.04021	16.7
166.04366	0.5
173.04523	100.0
174.04874	3.9
181.12299	2.5
199.13368	12.4
200.13705	0.8
225.11285	15.2
226.11667	1.2
288.05606	0.4
373.14899	10.7
373.18726	10.5
374.15195	1.6
374.19229	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	373.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23567	0.5
57.03427	1.3
59.01372	5.0
61.71985	0.5
65.57616	0.5
67.01879	5.1
69.03454	0.6
69.47977	2.8
69.92937	0.4
71.01373	5.2
71.05006	2.2
72.99300	1.6
73.02914	1.1
75.00866	7.6
77.92860	0.4
81.03455	1.1
83.04998	0.8
85.02930	2.1
85.06582	0.6
87.00878	1.0
89.02438	0.5
93.03447	24.8
94.03769	1.0
95.04963	0.6
99.00859	1.0
101.02436	0.8
109.02950	0.9
111.00884	0.8
111.04505	4.0
113.02438	1.0
119.03564	0.4
120.86106	0.4
129.01898	2.8
137.02405	4.8
147.02975	3.9
155.03467	4.7
161.04575	0.5
163.11284	1.0
164.07144	0.6
165.04018	15.7
166.04396	0.7
173.04518	100.0
174.04857	4.8
181.12312	3.3
199.13367	11.2
211.13202	0.5
225.11270	15.8
226.11638	1.4
274.89972	0.5
297.51889	0.4
354.05621	0.5
373.14899	12.2
373.18735	10.0
374.15289	1.6
374.19183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
59.01371	22.9
60.99297	0.9
67.01884	6.0
69.03448	1.2
71.01373	11.2
71.05015	1.6
72.99303	1.0
73.02923	1.9
75.00841	2.9
81.03429	1.3
83.01390	0.8
83.05005	1.3
83.83076	0.5
85.02927	3.0
87.00870	2.8
89.02433	6.9
93.03443	26.3
94.03754	1.4
95.01376	1.6
99.04493	1.1
101.02441	4.6
101.42250	0.6
108.02114	0.8
109.02915	1.4
111.00865	1.6
111.04498	5.8
113.02435	3.0
115.00343	1.1
119.03497	4.1
121.02962	0.9
123.00877	0.8
129.95415	0.6
133.02946	0.7
135.04538	0.9
137.02429	5.9
143.03432	0.7
147.02989	0.6
147.04453	1.0
153.12872	0.7
155.03467	4.6
161.02422	2.1
161.04524	4.1
163.03992	1.5
173.04520	100.0
174.04871	4.3
175.02426	1.4
179.03484	0.6
179.05573	3.0
181.12314	1.8
184.00380	0.5
193.12378	1.0
199.13367	12.6
199.59364	0.5
200.13626	1.1
211.13373	7.1
212.13716	0.6
225.11296	7.6
229.87102	0.7
298.08505	1.1
305.71991	0.5
313.10629	3.7
331.17590	1.8
343.11877	1.2
344.12476	0.8
358.10779	0.7
372.20181	0.6
373.13373	3.1
373.18643	19.0
374.19366	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92236	0.3
58.00582	0.4
59.01374	100.0
60.01705	0.9
69.15190	0.5
69.32697	1.6
69.33115	2.1
71.01367	9.8
71.94791	0.4
72.99323	0.5
73.02942	7.8
75.00873	0.4
77.24530	0.4
81.78652	0.5
83.01389	2.2
83.25886	0.4
85.02948	1.9
87.00878	0.8
87.51229	0.4
89.02436	4.7
93.03458	2.0
95.01397	0.8
101.02429	7.3
111.04543	0.4
113.02448	4.2
119.03490	1.6
128.40663	0.4
131.03494	0.8
143.03458	0.6
155.10754	1.0
161.04546	1.0
173.04552	4.7
184.95491	0.4
189.04056	0.5
191.05562	2.5
194.03003	0.5
199.09787	1.2
204.06496	0.7
209.10179	0.5
209.22362	0.4
217.82878	0.4
225.11269	0.9
234.07706	0.8
235.08012	1.1
373.14923	2.9
396.35989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60798	1.1
55.01872	1.7
57.03444	2.5
58.00573	3.0
59.01374	100.0
71.01378	48.7
71.56739	1.4
72.01678	1.4
72.99292	3.3
73.02934	1.4
75.00854	3.6
76.76973	1.4
80.60419	1.3
83.01369	2.6
85.02946	11.2
87.00877	2.0
89.02438	64.5
93.03445	4.3
95.01366	4.4
101.02435	32.4
105.62403	1.3
106.38072	1.2
108.02135	2.3
109.02901	3.2
112.40596	1.3
113.02436	22.1
119.03487	29.3
121.10245	1.6
123.04486	1.8
128.41844	1.3
131.03500	2.1
134.03705	4.9
135.03036	1.7
137.02422	1.5
139.12682	1.3
143.03468	2.6
145.02881	2.7
146.03693	2.7
147.04446	1.4
147.11780	1.7
148.01631	1.3
149.04584	1.9
149.06049	3.6
161.02383	3.1
161.04506	4.8
161.05913	1.3
162.03185	2.0
163.03963	2.5
164.04767	2.4
165.03993	4.9
165.05299	1.7
173.04515	13.4
173.83929	1.5
177.01860	2.7
179.05556	5.8
179.07138	3.3
181.04999	1.4
181.12302	1.5
185.11729	2.6
186.12115	1.5
192.04079	1.6
193.05119	1.8
193.12318	27.5
199.09850	1.4
199.13350	3.6
207.06561	1.7
209.71240	1.2
210.13362	1.2
225.11301	4.3
228.71492	1.3
254.05823	7.4
255.06462	3.0
269.08145	14.0
270.08704	4.2
283.09695	2.5
284.10455	2.7
285.11160	1.7
298.08328	4.2
313.10709	9.0
314.11139	1.4
325.10944	2.1
328.09375	1.7
343.11826	36.7
344.12158	5.0
373.13052	5.7
373.18591	18.6
374.19012	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	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
57.52716	0.3
58.00571	0.3
59.01365	2.9
60.99306	0.4
67.01885	4.2
69.03437	0.7
70.75032	0.6
70.75366	0.5
71.01377	4.2
73.02945	0.4
77.41975	0.3
81.03448	1.0
83.05016	1.0
85.02946	0.7
85.06586	8.9
87.00846	0.6
89.02428	0.7
93.03447	26.6
94.03780	0.9
99.00873	0.3
99.04540	0.4
101.02415	0.9
101.06049	0.6
109.02924	0.9
111.00867	0.9
111.04513	4.9
112.75317	0.3
113.02425	0.7
115.04095	0.3
123.68064	0.3
127.03983	0.7
137.02428	5.0
155.03499	4.4
155.10760	0.6
161.04454	0.4
173.04520	100.0
174.04890	4.1
176.03903	0.3
183.86589	0.3
191.05554	0.4
199.09653	0.5
199.13361	6.7
200.13693	0.4
211.13361	0.5
213.14906	0.5
373.18622	8.7
373.23065	0.5
374.18906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92236	0.3
58.00582	0.4
59.01374	100.0
60.01705	0.9
69.15190	0.5
69.32697	1.6
69.33115	2.1
71.01367	9.8
71.94791	0.4
72.99323	0.5
73.02942	7.8
75.00873	0.4
77.24530	0.4
81.78652	0.5
83.01389	2.2
83.25886	0.4
85.02948	1.9
87.00878	0.8
87.51229	0.4
89.02436	4.7
93.03458	2.0
95.01397	0.8
101.02429	7.3
111.04543	0.4
113.02448	4.2
119.03490	1.6
128.40663	0.4
131.03494	0.8
143.03458	0.6
155.10754	1.0
161.04546	1.0
173.04552	4.7
184.95491	0.4
189.04056	0.5
191.05562	2.5
194.03003	0.5
199.09787	1.2
204.06496	0.7
209.10179	0.5
209.22362	0.4
217.82878	0.4
225.11269	0.9
234.07706	0.8
235.08012	1.1
373.14923	2.9
396.35989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46612	1.1
59.01370	21.7
61.98801	1.9
70.75456	2.5
71.01360	1.2
78.95878	2.3
90.75864	1.0
93.03453	2.3
116.90962	1.0
136.01608	1.2
148.08957	1.5
150.10457	1.3
151.04013	1.6
152.99542	3.6
165.12817	23.7
165.60121	1.0
166.13110	1.2
175.11308	1.2
176.12068	1.1
235.07957	1.4
244.10789	3.4
247.20604	11.8
273.18573	8.2
273.58609	1.1
277.21585	2.2
291.19623	100.0
292.19958	10.5
312.80334	1.3
313.17783	14.1
314.17950	1.6
373.12805	1.3
373.19910	17.1
374.20294	1.9
397.81326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.5
61.98825	100.0
71.62179	1.5
71.62563	2.4
82.91170	1.7
84.48492	1.7
96.96007	19.0
110.32674	1.5
119.05087	1.6
173.77507	1.7
174.99193	1.9
192.92345	1.5
193.45592	1.5
217.00296	8.9
257.02826	1.6
312.76257	1.7
360.27213	2.0
375.18582	9.9
375.23035	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	374.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56725	2.0
51.77967	2.5
59.01369	23.1
61.98821	100.0
68.17619	2.1
71.40707	3.5
75.77471	2.2
76.38100	2.4
78.95901	2.1
138.68488	2.1
142.13271	2.1
152.99580	2.4
155.79962	2.4
156.81471	2.2
174.99185	3.9
176.04553	2.1
217.00237	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	374.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74660	1.4
59.01372	18.0
61.98822	100.0
69.88229	1.3
71.62255	3.0
82.42359	1.5
83.36127	1.4
106.38698	1.4
119.05007	2.0
138.51329	1.5
153.15591	1.5
174.99187	4.0
179.07178	3.4
211.09677	5.7
217.00273	13.6
232.10902	5.4
374.20139	2.5
374.24402	57.8
375.24368	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50728	0.6
59.01372	10.5
64.43155	0.6
65.46461	0.7
67.48665	0.6
69.03450	2.6
71.01373	0.6
72.29725	0.7
72.99270	0.6
74.99099	4.2
77.03960	2.7
81.03454	0.7
87.00876	0.9
92.02901	0.8
93.00111	1.2
93.03452	4.8
93.07091	1.4
95.05017	10.7
101.02399	0.7
102.05577	0.9
108.02170	0.9
109.02939	3.5
113.02440	1.2
114.48679	0.7
119.05016	2.9
121.02953	10.5
122.03702	2.6
123.04512	28.6
134.54593	0.6
135.04491	1.0
137.02472	4.4
137.06070	23.2
138.06387	1.6
139.03975	8.1
146.03708	0.6
149.02448	6.6
163.03992	2.4
165.01920	6.6
166.02295	0.9
167.03479	100.0
168.03812	6.1
173.04520	1.2
177.65207	0.6
207.02943	1.9
209.04509	19.2
209.11954	1.1
210.04860	1.0
210.12074	0.8
225.04057	3.9
225.11345	1.6
227.11823	0.9
229.66536	0.8
249.63376	0.7
287.09290	1.2
331.08191	11.8
332.08594	1.3
347.07663	1.4
359.12158	1.1
375.07123	17.4
375.14944	2.1
375.19870	1.0
376.07736	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19674	1.0
57.03442	1.1
59.01378	27.1
61.98817	2.8
69.36662	0.9
70.43889	3.0
71.01373	17.5
72.99306	1.2
73.02917	1.5
84.10084	1.0
85.02942	4.3
87.00860	1.6
89.02438	17.0
93.03487	2.3
99.04513	100.0
100.04834	2.6
101.02448	12.6
101.51894	1.0
107.08682	1.9
111.04506	2.7
113.02419	6.9
119.03502	8.8
121.02892	0.9
123.04504	2.1
125.09689	2.0
134.03719	2.6
135.04498	6.6
143.03473	1.0
145.02919	2.2
149.02367	1.5
150.03273	5.0
151.07629	9.9
155.03496	1.6
161.02415	2.3
161.04486	2.9
162.03171	2.6
165.05573	9.1
173.04591	5.6
173.05806	1.0
177.05479	1.9
179.03433	1.8
179.05568	1.3
183.10275	1.2
191.63908	0.9
195.06631	8.7
201.01683	1.8
201.11288	15.8
202.11656	1.1
211.95067	1.0
213.07646	1.5
217.00177	1.2
331.13986	7.9
360.44489	1.1
375.06686	2.1
375.12653	9.8
375.16620	12.7
376.17032	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	375.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97380	1.9
54.96733	2.0
55.56536	1.9
56.37672	2.5
59.01378	17.1
67.01868	2.1
68.99786	4.2
71.01371	9.2
73.37434	2.0
75.00864	61.1
75.99853	1.8
87.00848	7.2
89.02414	7.4
93.03437	2.8
99.00846	4.8
99.03887	3.1
99.04510	50.0
100.04765	2.5
101.02429	20.0
111.00822	4.9
113.02420	5.7
119.03465	3.7
121.06599	2.4
122.03786	2.8
129.01950	2.3
130.44136	2.3
133.02893	7.4
135.04517	12.9
137.02414	5.1
137.06050	9.2
141.01842	3.0
141.74792	2.0
149.18542	2.3
151.07631	100.0
152.07904	4.4
153.20068	2.0
159.02919	2.8
159.71526	2.4
161.02431	5.9
165.01920	5.2
166.02710	2.5
168.19746	1.9
173.04475	4.9
177.01840	4.2
179.03432	9.6
179.05582	2.0
179.07031	4.5
180.04097	3.1
181.05025	9.3
184.97058	2.0
189.01610	2.4
195.06523	9.7
201.01669	5.2
201.11218	6.6
213.07617	12.2
227.21010	2.0
229.05446	2.6
239.53018	2.1
293.53091	2.3
312.88837	2.1
343.10422	3.5
375.06882	19.7
375.12540	7.6
375.16910	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	375.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.9
58.00594	4.3
59.01091	4.4
59.01374	72.0
61.98822	23.3
64.55976	2.6
67.93026	2.1
71.01375	61.4
72.99280	2.6
73.02945	10.0
74.60803	2.0
83.01374	8.9
85.02932	21.7
87.00893	2.7
89.02437	39.1
93.03434	3.1
94.88394	2.4
95.01366	4.0
98.20625	5.4
99.00853	8.6
99.04507	100.0
100.04864	4.1
101.02438	45.1
107.08645	3.1
113.02435	23.5
119.03468	17.2
125.09694	12.9
134.03758	5.5
135.04492	12.3
143.03436	2.6
151.07664	15.0
158.17332	2.1
161.04608	12.0
173.04541	10.6
179.03491	8.6
179.05556	3.3
189.01639	2.8
195.06569	3.6
201.01677	10.7
201.11325	16.4
278.99023	2.3
287.15143	2.5
315.10693	10.6
331.14020	33.2
332.14160	5.2
375.06998	18.8
375.12860	80.8
375.16562	8.3
376.13187	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	375.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76825	1.9
55.01867	4.2
57.03444	2.8
58.00592	4.5
59.01375	100.0
59.30452	2.1
60.01732	2.1
61.98813	3.4
67.67361	2.1
70.44167	4.7
70.44534	4.0
71.01376	69.6
72.01718	2.2
72.99321	3.0
73.02949	6.6
73.76945	2.0
85.02949	11.9
87.00880	6.5
87.86665	2.0
88.58069	2.0
89.02440	85.5
89.02993	4.7
93.03417	2.9
95.01378	3.1
99.00893	2.0
99.04514	94.0
100.04861	2.5
101.02430	38.9
104.18967	2.2
108.02185	2.5
113.02454	25.9
115.07079	2.4
117.03464	6.6
119.03495	36.5
119.04948	3.1
122.03732	3.7
123.04472	2.8
125.09711	3.0
131.03491	3.0
133.02930	2.9
135.04509	3.5
143.03436	7.2
145.02943	33.7
146.03699	9.9
147.04536	11.7
149.02393	4.2
149.04431	2.6
150.03232	9.6
151.07611	9.3
161.02444	31.3
161.04504	5.4
162.03206	46.0
165.05579	17.4
170.54794	2.4
173.04497	6.2
177.05573	27.6
179.05554	13.4
180.04259	10.0
191.05594	3.8
195.06590	27.6
201.11320	19.2
209.93086	2.3
218.53784	2.2
236.90303	2.7
303.38513	2.0
307.95499	2.4
331.13864	12.2
332.14456	2.3
357.11899	10.2
375.07022	4.2
375.12808	15.3
375.16730	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	375.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27914	0.8
59.01365	1.2
61.60318	0.8
70.88636	2.2
71.01362	1.6
85.02917	2.0
87.00846	1.0
93.03441	1.2
98.20201	1.7
99.00886	1.6
105.41239	0.9
125.09711	4.9
131.01044	0.8
141.09216	12.1
152.04108	0.9
153.09212	44.6
154.09552	1.9
167.07124	2.0
171.10249	10.5
173.04553	5.0
174.04825	2.3
175.04974	1.2
185.08211	5.4
185.42390	1.0
197.08177	27.0
198.08566	1.8
215.09213	100.0
216.09546	6.7
217.36687	0.9
247.37144	0.9
278.51428	1.0
375.16196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
58.00613	1.1
59.01374	26.8
60.99305	1.2
61.97259	0.9
67.01885	5.1
69.03438	1.6
71.01365	6.7
72.99298	1.7
73.02937	100.0
74.03268	1.4
75.00843	1.1
81.03424	0.9
85.02945	10.0
87.00857	9.2
87.04540	0.9
89.02448	1.7
93.03446	29.6
94.03783	0.9
95.33280	0.9
98.67059	0.9
99.00856	2.5
99.04504	7.9
103.04049	1.4
109.02990	1.6
111.04486	4.9
115.03999	1.2
122.03699	1.4
125.09690	1.0
129.01901	1.1
133.05046	9.0
135.04462	1.0
137.02429	3.6
141.09193	3.1
148.04099	4.7
148.31796	0.9
149.02411	2.5
150.03189	3.5
152.07233	1.1
153.09204	22.4
155.03447	3.3
164.04710	1.5
165.05559	5.2
171.10269	2.4
173.04518	73.9
174.04861	3.5
176.04665	1.2
177.04016	48.9
178.04350	2.4
179.07111	2.8
183.10233	3.6
191.01958	2.5
191.05592	5.8
191.07092	1.2
195.06575	2.6
197.08160	23.8
198.08514	1.2
201.11270	10.4
208.99776	0.9
215.09210	24.9
216.09651	1.3
227.06721	1.0
312.09952	1.2
313.12051	1.4
327.12283	5.6
328.12521	1.1
328.87775	0.9
331.13574	1.1
365.03351	1.0
375.12653	5.2
375.16547	20.6
376.16769	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91511	0.7
59.01366	6.3
69.03448	0.9
71.01378	4.3
71.61040	1.3
73.02943	2.0
75.00851	2.3
75.10225	0.7
75.98274	0.8
83.01353	1.2
83.05013	1.0
85.02945	1.9
87.00877	3.9
87.04523	1.9
87.15155	1.0
89.02411	2.7
93.03468	2.9
96.95994	0.9
99.00849	1.8
99.04508	100.0
100.04839	2.9
101.02429	3.6
107.48375	0.7
111.00889	1.5
111.04519	1.8
113.02430	3.2
119.03503	1.4
121.06584	1.7
129.01933	1.2
131.03467	2.1
133.02942	3.1
135.04520	3.7
137.02429	4.4
137.06039	2.4
138.03212	1.6
148.44463	0.7
151.07637	17.4
153.05580	1.4
155.03500	3.0
159.02913	2.4
161.02463	2.0
163.94090	0.8
165.01906	6.8
165.10696	0.7
166.02689	2.8
173.04520	9.0
177.01918	2.2
179.03474	3.0
179.07069	1.1
180.04227	2.2
181.05040	8.5
183.10196	1.2
191.05582	0.9
195.06633	2.1
201.01701	0.9
201.11301	16.9
202.11591	1.0
284.03281	0.8
286.07742	0.8
301.78403	0.8
343.10291	3.0
351.12692	1.0
375.06686	4.4
375.16599	13.2
376.17050	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1441
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
57.03472	1.0
59.01423	3.5
67.01939	1.9
69.03475	0.5
71.01438	2.1
71.61972	0.6
73.02937	4.6
81.03497	0.9
82.24550	0.5
82.37968	0.5
85.02927	3.2
87.00922	1.7
93.03450	14.3
97.02967	0.5
99.04507	7.1
101.02478	0.9
105.62937	0.4
108.02200	1.5
109.02998	1.5
111.00948	0.8
111.04547	2.0
116.12134	0.5
117.07385	0.4
121.02941	7.6
121.03693	0.5
122.03734	39.4
123.04063	1.3
124.01653	3.6
129.02016	0.6
134.03714	0.5
135.04521	1.8
136.01648	5.1
136.02437	0.4
137.02438	8.9
137.06030	0.8
137.71535	0.5
138.02921	0.4
144.58061	0.4
145.02956	1.0
146.02571	1.0
146.03723	19.9
147.04565	2.7
148.05334	0.5
149.02438	1.1
149.06134	1.4
150.03226	2.1
151.03999	1.2
153.01907	1.0
153.09201	1.3
154.02711	5.8
155.03494	2.8
160.33249	0.5
161.02403	0.7
161.06075	8.8
162.03232	1.0
162.06418	0.7
163.04019	1.4
164.04767	13.7
164.06142	0.7
165.05518	3.0
173.04529	41.7
174.04872	1.9
175.04025	1.8
176.04750	6.3
176.74106	0.5
177.04021	2.0
177.05453	0.8
179.07112	100.0
180.04265	7.1
180.07483	5.4
181.05000	0.9
190.06377	0.8
191.02061	0.6
191.05591	2.6
191.07118	23.6
192.04297	3.8
192.07397	1.8
193.04883	0.6
194.05783	0.6
195.06602	35.4
196.06953	1.6
197.08130	1.6
201.11362	2.5
203.18788	0.4
207.06595	11.4
215.09181	0.6
227.06595	0.6
251.40225	0.5
261.05273	0.8
279.06726	0.7
283.09528	0.9
312.09750	1.3
327.12317	8.7
328.12360	0.9
341.96448	0.6
345.13275	3.4
360.12009	7.0
375.14148	33.2
376.14456	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	375.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.3
59.01367	1.5
60.99285	0.7
67.01881	4.3
69.03451	1.1
69.48885	2.0
69.49287	0.4
71.01377	2.7
81.03458	0.9
83.05033	1.1
85.02945	0.8
87.00864	1.6
93.03448	26.6
94.03790	1.1
99.00881	0.3
99.04509	21.8
100.04858	0.5
109.02953	1.0
111.00866	0.9
111.04501	4.8
113.02419	0.4
116.97828	0.3
129.01952	0.5
137.02448	3.9
155.03488	4.1
173.04526	100.0
174.04860	4.6
183.10228	1.1
191.05586	4.3
201.11296	5.1
202.11623	0.4
235.40512	0.3
273.09851	0.5
333.71762	0.3
375.16528	19.1
376.16953	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78806	0.7
57.03431	1.4
59.01373	11.9
59.23757	0.6
60.99295	1.1
63.46797	0.6
67.01894	4.6
69.03445	1.8
69.69543	1.3
69.69951	2.4
71.01379	5.8
72.99274	1.2
73.02938	25.5
73.28218	0.5
75.00951	0.6
81.03433	0.9
83.05020	0.9
85.02944	4.5
87.00866	4.7
89.02435	1.8
92.52537	0.7
93.03448	29.3
94.03796	0.9
99.00850	0.7
99.04533	3.1
101.02431	2.4
109.02878	0.7
111.00890	0.8
111.04504	5.4
113.02444	1.8
115.20784	0.6
121.02995	0.7
122.03724	1.7
125.09718	1.2
129.01910	0.9
133.05032	2.7
135.04512	2.0
136.01659	0.8
137.02432	4.0
141.09212	2.1
145.36755	0.6
146.03722	1.1
148.04028	5.0
149.02419	2.1
150.03232	4.5
152.07137	1.0
153.09189	11.3
153.10312	1.1
155.03510	3.5
156.03772	0.7
160.03958	0.8
161.02467	1.2
164.04816	0.9
165.05516	6.1
171.10266	0.9
173.04523	100.0
174.04843	5.2
177.04036	15.1
178.04289	1.1
179.03516	1.9
179.07111	2.5
183.10313	4.9
185.08263	0.7
191.05598	2.1
191.07159	0.8
195.06662	3.1
197.06491	1.0
197.08165	10.4
197.67688	0.7
201.11287	15.9
215.09213	13.0
227.06763	0.6
255.08904	1.5
294.30374	0.6
306.24506	0.7
313.11908	1.3
327.12216	1.3
345.13300	0.7
357.15601	1.1
371.18161	0.7
375.12915	1.4
375.16635	19.2
376.16968	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	375.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01371	23.4
59.77287	0.6
63.42149	0.6
68.54941	0.6
69.68600	3.8
71.01373	1.8
73.02930	1.8
93.03467	1.9
94.03751	0.7
98.19888	1.3
111.04509	0.8
139.11276	15.8
140.11617	0.7
155.10820	1.0
163.11208	0.7
165.09137	0.7
173.04587	4.7
174.04872	2.3
175.05019	2.9
176.04762	1.0
181.12309	8.9
182.12570	0.9
183.10245	21.3
184.10577	1.7
185.11714	1.1
189.04019	0.9
191.07135	1.6
199.13388	6.9
201.10165	1.0
225.11284	5.1
227.06755	0.9
243.12325	100.0
244.12682	7.1
285.13409	2.6
293.40613	0.6
358.85687	0.6
375.16418	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	375.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.8
58.86413	0.8
59.01380	4.4
65.14507	0.9
67.01878	1.6
68.99800	3.6
69.03444	15.2
69.36182	6.9
71.01375	11.5
71.05012	2.7
72.99294	8.8
73.02953	1.2
77.86814	1.0
83.01373	4.2
85.02943	31.9
87.00871	5.6
87.04509	3.5
93.03462	1.4
95.01363	1.0
97.02940	10.9
99.00854	7.3
99.04520	2.2
101.02406	1.8
107.05034	1.5
109.02963	1.7
111.00864	3.3
111.08157	1.6
113.02422	5.0
113.06010	1.0
115.04006	6.3
125.56520	0.8
129.01927	19.0
129.05481	0.9
135.04504	2.8
139.11272	16.3
140.04919	1.0
141.01923	4.2
149.02492	1.1
153.09203	2.3
159.02971	3.3
161.02432	1.8
165.05519	1.2
173.04575	5.4
179.03448	2.2
179.07227	1.1
183.10239	39.4
184.10645	2.0
191.05586	19.1
191.07297	1.0
192.43510	1.1
197.08179	3.3
201.11313	4.3
209.06647	3.3
234.95085	1.0
249.28659	1.1
251.12936	1.6
282.08969	2.5
297.11221	1.9
314.07584	1.0
325.12894	1.4
327.12216	1.6
375.16537	100.0
376.16873	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	375.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40546	0.2
57.03438	2.1
58.41883	0.3
59.01368	2.1
60.99290	0.5
67.01881	4.4
69.03442	1.0
71.01374	3.0
74.03735	0.3
81.03453	0.8
83.05009	1.0
83.99358	0.3
85.02923	0.8
93.03445	24.4
94.03787	1.1
99.00871	0.2
99.04560	0.4
101.46069	0.3
104.75156	0.2
105.35103	0.3
109.02927	0.8
110.05659	0.2
111.00862	1.1
111.03808	0.3
111.04517	4.6
111.08147	0.7
113.02471	0.5
117.72513	0.3
125.44286	0.3
127.04011	0.4
137.02417	5.0
139.11270	12.5
140.11612	0.9
155.03476	4.8
157.12329	0.4
173.04521	100.0
174.04865	4.6
183.10234	6.6
184.10687	0.4
191.05531	0.7
192.16429	0.3
201.11293	22.5
202.11684	1.6
211.13458	0.6
216.42805	0.3
240.19142	0.3
375.16547	17.2
376.16971	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	16.5
61.98812	1.9
70.69311	0.9
71.01371	10.0
71.62179	1.0
77.19094	0.8
80.91658	3.1
96.95990	3.2
121.02976	0.9
135.04514	1.3
151.03922	1.0
151.07637	1.2
164.08403	0.9
174.99219	6.6
177.09145	3.3
190.10025	1.0
192.11554	7.4
205.12263	2.8
207.02800	1.0
207.13849	1.5
217.00258	18.7
218.09462	2.7
220.14647	41.1
221.15419	100.0
222.15733	7.8
233.66470	0.9
235.13492	1.3
236.10493	89.1
236.91605	0.9
237.10913	7.9
293.17532	48.2
294.17941	4.9
301.51263	1.1
315.10629	1.4
318.09528	4.6
321.15466	1.0
356.97559	0.9
374.99472	1.3
375.17902	13.8
375.24973	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	375.1808
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
51.62949	0.2
59.01374	3.1
59.60983	0.3
61.98840	0.5
62.88736	0.3
65.29641	0.2
69.36108	2.2
76.48757	0.3
81.82761	0.3
82.11653	0.2
96.81528	0.3
96.95988	0.3
97.33755	0.3
105.03440	0.5
107.05019	0.4
117.03432	1.2
123.04491	0.3
132.02167	0.7
133.02943	19.4
134.03662	1.5
135.04509	22.4
136.04834	0.9
137.02374	0.5
161.02420	100.0
162.02777	5.2
173.04593	0.3
174.99190	0.9
179.03459	7.9
180.03748	0.5
183.13895	1.7
195.13850	1.7
203.38716	0.3
213.14934	8.9
214.15231	0.5
216.53830	0.3
217.00241	4.0
247.54503	0.3
252.82573	0.3
258.50732	0.3
289.17847	0.3
357.17032	1.7
375.18051	37.0
376.18399	5.3
397.65115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06665	0.7
59.01365	1.7
61.98811	1.2
70.67956	0.7
70.68291	1.6
74.99058	1.9
88.24643	0.6
95.32389	0.7
97.02091	0.8
130.59521	0.7
135.04491	1.1
146.57729	0.7
146.85548	0.7
152.72499	0.7
159.08441	8.7
161.06332	2.7
209.01262	2.0
212.71078	0.7
217.07187	1.8
275.05835	1.2
277.07431	2.1
289.07520	2.2
291.09058	95.0
292.09186	12.2
309.10089	1.5
357.13873	2.3
359.15295	100.0
360.15402	16.9
375.18472	9.4
376.18744	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.65470	0.3
68.96194	0.4
70.87035	0.4
70.87391	1.1
74.99064	2.8
93.00121	1.1
143.05315	0.8
149.00925	0.8
159.08440	10.5
159.09750	0.7
160.08571	0.5
161.06400	3.3
162.06538	0.4
176.00583	0.4
192.98158	0.5
209.01208	2.9
217.07176	1.5
275.05936	1.5
277.07449	2.8
289.07468	1.5
291.09052	97.4
292.09174	12.8
309.10019	0.9
343.12286	0.7
357.13776	2.2
358.14008	0.5
359.15292	100.0
360.15445	16.6
375.18405	8.7
376.18692	2.1
377.16544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
57.03439	3.6
58.00576	3.8
59.01371	100.0
68.99820	2.9
69.03447	2.4
69.74548	1.2
71.01371	72.1
72.99297	3.2
73.02933	16.3
73.81632	0.9
75.00874	2.0
83.01366	9.1
85.02942	25.4
87.00863	3.6
89.02431	48.0
89.02993	2.4
95.01382	4.5
97.02953	1.4
98.20653	2.4
99.00864	6.1
101.02430	55.1
102.02769	1.8
103.13474	1.0
111.00862	1.3
113.02433	31.5
113.09769	1.3
119.03481	25.0
125.02449	2.3
127.11289	2.3
131.03470	3.1
143.03470	3.8
146.23508	1.1
149.04565	2.7
152.03529	7.0
153.05559	2.8
154.67873	1.2
159.02934	4.6
161.04520	20.0
173.04573	3.4
179.03453	2.0
179.05580	3.4
195.06587	3.3
274.27365	1.1
285.20609	6.9
331.21118	15.1
375.20187	33.8
376.20584	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01706	0.9
60.44827	0.5
64.99886	0.4
69.23577	5.1
71.01360	2.4
71.47165	0.4
73.02948	0.6
85.02931	1.3
89.02438	1.0
91.56209	0.5
97.70074	0.4
98.67708	0.5
99.00892	0.5
101.02449	1.5
113.02475	1.4
136.87447	0.5
160.21599	0.6
161.04587	2.2
178.08775	0.4
180.06703	0.5
181.07063	0.6
195.06502	0.5
212.22658	0.4
247.40042	0.4
287.85611	0.6
315.18015	1.2
375.19409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10322	0.3
59.01373	100.0
60.01710	1.3
69.42681	2.8
69.96698	0.4
71.01379	2.9
72.67097	0.3
73.02954	0.8
73.71070	0.4
83.01389	0.6
85.02943	1.0
89.02454	0.7
90.80557	0.3
96.96021	0.4
99.00888	0.4
101.02431	2.0
113.02454	1.3
136.20473	0.4
150.57503	0.3
153.05708	0.3
161.04544	2.5
167.23004	0.4
179.03561	0.3
315.18143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78273	0.6
56.96354	0.6
58.00581	2.3
59.01373	51.5
60.01706	0.8
61.98810	0.7
69.44546	3.0
69.44950	1.3
71.01372	24.8
72.99309	1.8
73.02946	1.4
74.99077	2.7
75.00854	0.6
83.01376	1.8
85.02934	6.1
87.00880	0.7
87.64465	0.6
87.99861	1.3
89.02434	21.5
93.03414	1.0
93.87437	0.6
95.01377	1.9
98.20709	0.7
101.02431	13.0
113.02435	8.5
119.03481	5.9
135.04492	0.9
141.95724	0.6
152.40741	0.6
157.06900	0.7
173.04503	2.7
178.08737	2.1
179.09099	1.9
183.13867	1.9
192.51910	0.6
195.13876	8.9
195.46867	0.6
196.62755	0.6
213.14963	3.5
357.13791	0.8
375.20184	100.0
376.20474	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	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83962	1.2
53.40647	1.1
56.45652	1.2
58.44510	1.4
59.01379	21.4
61.04731	1.1
71.61274	1.6
95.05017	35.9
95.05598	2.7
96.92086	1.3
105.43812	1.2
137.52937	1.2
141.85477	1.1
159.54050	1.4
179.14352	1.6
195.13901	9.5
196.14224	1.7
205.12328	1.3
210.03891	1.4
222.39389	1.5
223.13322	9.3
228.13512	1.4
246.12311	17.2
256.13165	2.3
275.20038	7.0
278.11322	79.0
279.11667	5.6
293.21191	100.0
294.21454	11.7
303.42114	1.4
315.19348	25.2
316.19669	2.0
330.55154	1.2
338.12073	5.4
375.21600	7.7
388.37817	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	375.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00478	1.2
59.01372	50.9
61.98811	1.9
64.72195	1.3
69.29667	1.4
69.84206	4.6
69.84621	3.1
94.40828	1.5
95.05013	3.4
109.06579	2.1
121.10218	30.2
127.11298	2.7
129.82556	1.3
135.04497	1.6
151.98311	1.3
163.04007	1.6
171.10236	64.3
172.10622	2.3
174.99257	4.5
183.13910	2.3
185.11714	3.0
191.06966	1.5
207.02979	2.4
207.10030	2.4
217.00200	14.2
231.21208	5.2
244.53262	1.4
253.09416	1.9
275.16931	1.7
275.20117	98.2
276.20505	12.3
278.11313	9.8
293.21191	100.0
294.21475	11.7
297.18228	1.6
315.19366	49.1
316.19763	4.1
317.98245	1.5
329.17398	2.0
359.18314	8.7
362.73627	1.5
371.68277	1.7
375.06924	1.7
375.21350	45.3
376.21222	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20870	0.8
57.03411	1.3
59.01372	16.8
61.59676	0.8
61.98810	1.2
71.62160	0.7
71.62563	0.9
72.32378	0.7
93.79608	0.8
107.58492	0.9
123.08180	0.9
125.09700	3.7
141.12732	1.3
149.09627	1.0
185.11784	9.7
191.06941	1.4
197.11801	2.5
217.00244	2.6
249.49538	0.7
261.26923	0.8
275.20132	0.9
293.21188	100.0
294.21530	8.6
315.19360	32.3
315.23108	1.5
316.19656	3.3
375.21414	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	375.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49433	21.5
56.86762	22.7
61.98812	67.8
69.07169	20.4
69.92180	40.5
69.92578	100.0
70.06045	20.2
95.37125	24.1
99.92534	34.8
100.92592	22.8
131.18506	25.5
245.63538	22.7
255.23195	63.8
304.62726	24.5
339.80524	27.2
341.09500	23.4
371.76974	25.2
375.13364	51.3
393.83752	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.4
61.98823	100.0
69.22800	21.7
75.22894	1.9
80.27002	2.5
96.95978	3.8
97.19070	2.0
98.19838	4.8
122.67419	2.0
127.43137	2.1
270.66840	2.4
376.24771	9.0
377.19540	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	377.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.8
59.01373	25.0
61.02318	0.5
70.87370	1.3
71.00998	1.0
71.01374	18.5
72.99294	0.9
83.01381	0.6
84.55844	0.5
85.02926	2.5
86.51390	0.7
87.00841	1.7
89.02435	30.9
90.02752	0.6
95.01328	0.8
99.05701	0.6
101.02436	10.3
112.01149	0.5
113.01685	0.8
113.02435	8.7
119.03484	12.3
129.48769	0.6
131.03456	2.0
143.03461	2.2
147.56671	0.6
149.04567	1.2
161.04483	3.2
179.05585	17.0
197.02179	2.7
215.03253	20.0
216.03598	1.1
341.10825	100.0
342.11230	8.1
377.08493	73.7
378.08804	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	377.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	40.9
61.98814	5.8
67.01889	3.5
68.99804	8.4
69.03447	19.9
69.30334	12.9
69.30744	5.9
71.01365	14.5
73.02941	3.9
73.28352	2.2
75.00846	2.6
77.03962	21.9
78.51138	1.8
79.05515	3.1
81.03429	4.4
83.05012	2.7
85.02940	9.6
87.00874	6.3
89.02419	3.6
91.05518	7.7
92.90934	2.1
93.03435	21.1
93.07095	11.2
95.01347	3.0
95.05017	66.0
97.02900	2.8
99.00832	2.6
101.02412	5.3
105.01965	2.1
107.05016	4.6
109.02938	8.0
109.06583	4.8
111.00928	3.4
113.02417	16.4
117.03409	2.9
119.05008	32.5
121.02930	37.2
122.03687	6.3
123.04509	89.7
124.04817	3.5
129.01918	3.7
131.03455	3.3
133.02985	2.9
135.04510	28.9
137.02423	21.7
137.06062	100.0
138.06377	5.9
139.00369	3.0
139.03972	5.7
139.11258	11.7
149.02359	5.5
150.03206	10.8
151.03987	91.9
152.04369	3.3
153.05571	23.7
155.10768	12.9
161.02383	8.2
163.03998	43.8
165.01903	68.8
166.02222	4.1
177.04082	10.2
179.03447	9.3
181.01422	7.9
181.05037	5.3
181.12291	6.0
183.10272	15.2
197.04526	7.3
199.09662	6.7
199.13306	4.8
207.02946	78.8
208.03351	4.0
225.03984	61.5
225.11197	3.1
226.04381	3.0
243.12288	27.0
276.37592	2.2
311.09497	3.5
315.13031	2.2
317.15924	12.8
324.59897	3.4
341.10757	2.7
377.08423	9.6
377.14035	9.4
377.18057	33.4
378.18301	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	377.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28123	8.6
59.01368	53.7
61.98790	10.4
71.01359	25.4
71.61565	8.5
71.62058	13.6
71.62432	9.0
72.99295	40.6
73.02950	70.7
89.02434	35.9
93.03453	40.2
95.24998	10.5
99.04486	13.2
101.02409	9.8
105.01929	100.0
113.02403	12.4
135.04520	51.5
150.03146	10.6
153.09177	44.0
173.04549	71.1
179.03427	22.0
179.05547	13.8
179.06990	11.8
180.07433	10.6
182.43753	10.4
191.05527	11.8
197.04527	20.2
197.08318	50.1
203.12843	66.8
215.09225	11.4
377.08939	19.4
377.14432	31.7
377.18384	21.6
399.00488	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	377.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97053	1.0
54.31339	0.9
54.61284	0.9
59.01372	20.7
61.52522	0.9
61.98840	2.0
67.01880	15.1
67.26840	0.9
67.48222	1.2
68.99808	29.0
69.03445	16.8
69.70248	2.3
69.70657	3.2
71.10524	0.9
95.01380	6.7
95.05013	100.0
96.05326	2.6
96.95998	18.5
98.20589	2.1
99.04529	2.6
101.02429	36.4
101.03080	2.0
102.02787	1.3
111.00864	73.3
111.04520	4.0
112.01192	2.3
113.02468	6.9
121.02934	19.5
123.04483	3.3
125.02396	2.8
127.03992	24.7
129.58170	0.9
135.04501	1.7
138.99277	2.2
139.00357	40.4
139.03984	44.8
140.04346	1.6
143.03503	1.6
147.04489	11.3
149.02414	43.6
149.05847	0.9
150.02762	1.4
153.05530	2.8
158.87923	0.9
171.02966	2.8
191.03476	3.2
195.93394	1.0
209.04433	1.5
267.21512	1.0
275.05588	30.7
275.09198	24.2
276.06116	2.3
276.09637	3.1
307.08191	30.9
308.08658	2.0
327.08710	4.3
377.19891	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	377.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03440	3.1
59.01377	10.8
61.98817	6.8
65.03969	1.7
67.01888	16.2
68.99812	58.4
69.03454	3.3
71.01377	1.8
75.42492	1.0
80.03124	0.9
81.03457	4.3
83.01383	1.0
83.05017	3.6
85.02942	17.9
86.03305	1.3
87.00880	2.4
92.99886	1.1
93.03441	13.4
95.01382	4.5
95.05023	12.7
98.17859	1.2
99.04518	2.0
101.02433	100.0
102.02774	1.3
107.05023	1.7
109.02931	8.1
111.00129	2.1
111.00871	34.0
111.04508	29.5
112.04875	1.8
113.02416	3.0
121.02938	7.9
123.04509	1.4
125.02393	6.6
127.04003	34.8
128.04338	1.7
135.00888	1.3
135.04523	2.8
135.86545	0.9
137.02437	7.2
137.06059	13.0
139.00354	17.7
139.04018	6.1
143.03484	3.9
149.02425	5.2
151.03963	2.3
153.01965	5.2
153.05568	1.3
155.03526	1.9
163.13525	0.9
165.01932	2.9
169.05038	3.1
170.56035	1.0
171.02960	9.5
179.03455	3.3
181.00000	1.0
181.05016	2.6
184.92757	0.9
195.06647	2.6
197.04451	1.7
211.06171	1.6
229.43999	1.3
259.05804	1.2
261.07581	1.1
275.06003	2.1
275.09210	21.8
276.09723	2.7
277.00342	0.9
291.08710	57.9
292.08990	5.0
307.08194	3.5
345.09552	2.5
377.12308	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	377.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40783	1.7
57.03431	3.0
59.01366	14.2
61.98802	4.5
63.97550	2.1
67.01879	23.9
68.99808	62.7
69.03444	8.2
71.43755	3.5
81.03459	3.9
83.05019	3.6
85.02947	18.3
85.19954	1.9
85.73258	1.7
93.03453	11.5
95.01379	5.4
95.05010	40.0
101.02428	100.0
102.02763	2.5
109.02890	8.9
111.00867	59.7
111.04510	28.2
113.02410	4.5
115.77296	2.2
119.04969	2.8
121.02953	17.6
123.04494	2.1
125.02392	7.7
127.03991	44.3
135.04494	3.8
137.02417	7.1
137.06082	11.0
139.00365	30.7
139.03990	20.9
143.03448	3.8
146.04567	2.3
147.04512	5.3
149.02428	19.9
153.01906	4.3
153.05540	2.7
165.01907	6.1
169.05051	2.4
171.02930	10.2
179.03436	2.2
271.16876	3.2
275.05560	12.9
275.09161	30.3
276.05807	2.1
276.09274	2.2
291.08704	57.0
292.08908	4.8
299.98749	1.8
307.08127	13.4
327.08569	1.9
345.09698	4.2
359.14935	11.7
377.12134	3.2
377.16223	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	377.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	13.5
61.98819	1.0
67.01879	5.0
68.99805	13.1
69.03437	3.5
69.70367	4.7
77.03951	3.8
78.95889	6.4
81.03446	4.8
82.06757	0.9
85.02892	1.0
93.03445	9.7
95.01371	2.1
95.05019	16.0
96.96940	0.9
98.20515	1.3
99.00853	1.1
101.02431	13.0
107.05068	0.8
109.06599	2.1
111.00858	14.8
111.04509	11.2
113.02427	1.6
119.04992	2.5
121.02965	4.9
127.03992	7.7
128.04388	1.0
135.04483	3.0
137.02426	29.4
137.06058	22.7
138.02771	1.3
138.06349	0.9
139.00372	11.7
139.04005	5.8
147.04507	2.0
147.86488	0.8
149.02419	6.3
151.30321	0.9
151.84605	0.8
152.99536	1.8
153.05525	3.0
156.10237	1.6
161.02441	0.9
163.04019	1.5
165.01900	100.0
166.02211	5.3
171.02982	0.9
181.05052	1.5
195.06572	7.3
198.01630	1.1
207.02965	2.4
207.48029	0.9
225.04059	3.1
233.60379	0.9
239.05411	1.5
255.42107	0.8
275.05975	4.6
275.08862	5.0
291.08716	3.3
301.06842	1.0
307.08231	2.6
345.09738	54.6
346.10031	7.8
346.13885	1.2
377.12430	2.3
402.35956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1237
Annotation	CHEBI:68989
Peak:m/z	Relative Intensity
59.01140	1.8
59.01375	18.1
67.01881	20.3
67.03981	1.2
67.05477	1.5
68.99807	27.8
69.03452	14.2
70.92533	1.8
70.92865	2.1
75.85241	1.5
85.02922	2.8
95.01390	9.2
95.05016	100.0
96.05350	3.2
99.04486	2.6
101.01771	2.1
101.02435	42.4
111.00868	74.7
111.04502	5.5
112.01190	3.6
113.02446	9.5
121.02945	23.0
121.06498	2.3
123.04515	3.1
125.02423	2.0
127.04002	25.5
128.04312	1.5
139.00363	42.2
139.03990	48.4
140.00674	2.3
140.04291	2.2
147.04486	12.1
149.01239	2.5
149.02420	45.0
150.02756	3.5
153.05528	2.3
171.03004	2.8
191.03436	6.4
195.06511	2.2
209.04657	2.1
210.42906	1.5
237.32466	1.3
275.05536	31.6
275.09158	26.0
276.05984	2.1
276.09409	2.9
307.08203	33.9
308.08643	3.2
327.08685	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	377.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	22.4
63.93498	1.5
64.55433	1.0
66.54507	1.2
67.01878	17.2
68.99459	2.2
68.99812	30.2
69.03450	18.1
72.36804	1.1
85.02921	2.1
93.03449	2.3
95.01380	8.4
95.05016	100.0
96.05328	3.1
99.04530	2.8
101.02431	41.8
102.05553	1.7
111.00868	72.9
111.04472	4.2
112.01167	1.7
113.02390	7.6
119.12502	1.4
121.02943	21.9
123.04515	3.6
125.02450	2.9
127.03104	2.2
127.03992	26.2
137.02428	4.9
137.06044	4.0
139.00365	45.1
139.03990	47.0
140.04340	2.7
143.03444	2.3
147.04501	11.7
149.02417	44.5
150.02785	1.7
153.01845	1.5
153.05569	3.0
156.43369	1.4
165.01910	11.3
165.05577	1.5
171.02911	3.8
191.03429	4.8
195.06566	2.8
209.04498	2.9
275.05542	30.2
275.09149	25.0
276.05966	3.2
276.09430	1.9
307.08160	28.4
308.08505	3.0
327.08588	4.6
345.09692	9.0
346.10385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.7
59.01374	10.5
60.81089	1.3
65.03975	1.6
67.01880	17.5
68.99811	62.2
69.03435	1.8
69.49253	7.4
69.49661	2.8
72.31952	1.3
73.02953	1.4
78.95895	4.7
81.03465	3.6
83.05023	2.8
85.02939	18.0
87.00883	2.1
93.03460	13.3
95.01389	5.9
95.05013	14.6
99.00826	1.8
99.04496	2.7
101.02433	100.0
102.02768	2.3
105.01311	1.3
106.04266	1.7
107.04996	2.3
109.02940	8.4
111.00867	41.6
111.04514	31.0
111.05279	1.3
113.02451	1.3
113.60089	1.3
119.05003	3.3
121.02941	5.9
125.02418	5.4
127.03109	2.8
127.04005	35.9
127.04951	2.1
135.04506	4.0
137.02469	8.6
137.06062	12.8
139.00365	21.9
139.04013	5.3
143.03526	3.5
147.04456	2.5
149.02444	5.9
151.03993	1.9
152.99582	9.1
153.01923	6.7
153.05617	2.1
155.03534	1.6
163.04100	1.7
165.01904	5.8
169.05029	1.7
171.03014	10.3
179.03511	3.1
181.05095	2.4
195.06573	1.9
211.06161	2.0
225.04230	1.7
253.32787	1.5
275.05679	3.8
275.09177	25.4
275.11963	2.4
276.09689	2.3
291.08694	61.4
292.09073	8.3
307.08133	2.3
345.09576	4.1
377.12460	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59790	1.1
57.03429	3.3
59.01380	9.4
61.98818	2.0
65.03957	2.0
67.01879	14.3
68.99811	54.8
69.39945	11.4
81.03442	2.6
83.01376	2.1
83.05018	5.5
83.68497	1.4
85.02949	20.4
87.00893	1.3
93.03440	15.8
95.01377	5.0
95.05010	8.4
99.00838	1.5
101.02430	100.0
102.02779	3.1
107.05013	3.5
109.02925	7.7
111.00871	34.3
111.04503	35.6
112.04852	1.5
119.04983	1.5
121.02906	6.8
124.74283	1.4
125.02426	5.0
127.04001	39.7
135.00903	1.5
135.04512	3.3
137.02443	8.7
137.06076	13.7
139.00359	22.1
139.03943	1.4
143.03473	5.5
149.02403	3.2
151.03978	1.5
153.01910	7.6
155.03476	3.1
165.01884	4.8
169.04977	2.3
171.02962	11.1
179.03555	2.9
181.05043	2.8
195.06549	2.2
256.97052	1.4
257.06476	1.6
275.05945	1.8
275.09225	22.3
276.09482	1.9
291.08713	61.1
292.09158	6.7
345.09772	3.1
377.12357	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	377.1419
Annotation	Go 6976
Peak:m/z	Relative Intensity
53.92428	1.1
59.01371	2.0
61.98820	4.0
63.03484	1.3
65.53809	1.3
69.07404	1.2
71.62385	2.1
76.45168	1.1
76.64793	1.1
84.15951	1.1
84.54671	1.0
84.93902	1.6
95.29102	1.1
96.96005	9.0
99.92574	79.9
100.90439	1.7
100.92581	5.0
100.93333	2.5
101.02409	1.5
115.92059	39.9
116.92847	100.0
117.92846	5.1
187.80756	1.2
205.05431	1.1
235.33771	1.3
277.21664	1.6
293.17896	10.4
308.07275	1.6
359.13483	1.4
373.11185	1.5
377.14221	47.6
378.14697	9.3
391.12155	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	377.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29939	0.8
59.01374	7.3
71.01365	4.6
71.07436	1.9
73.02934	11.1
83.01379	2.3
85.02937	5.3
87.00893	0.8
89.02453	2.8
101.02433	6.5
119.03498	1.3
135.04446	1.4
153.09203	78.6
154.09502	5.2
161.04550	3.0
163.00082	1.0
191.01921	1.4
197.08168	100.0
198.08478	8.0
244.50098	0.8
257.12894	1.8
293.76877	0.8
296.25208	0.9
308.33185	0.9
359.13431	9.8
361.90710	1.0
377.14569	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	377.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25653	0.5
58.00589	0.5
59.01371	8.6
66.51707	0.6
69.31952	4.6
71.01375	4.0
73.02940	14.9
85.02953	0.9
87.00861	8.9
89.02430	2.2
99.00867	0.9
109.02960	0.8
111.35341	0.6
115.03989	0.8
115.92027	0.8
133.05103	0.7
137.09706	7.4
139.94197	0.7
153.09215	4.0
155.10756	100.0
156.11089	5.5
177.04036	2.3
179.03334	0.6
195.05037	1.0
197.08165	6.6
199.09726	66.6
200.10126	4.1
211.76933	0.5
229.14517	0.6
357.81393	0.6
359.13428	2.9
377.14459	32.3
378.14941	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	377.1448
Annotation	Lamiol
Peak:m/z	Relative Intensity
59.01377	9.3
59.33377	0.7
69.59898	2.9
69.60321	1.8
71.01367	3.8
85.02953	1.0
89.02430	3.8
95.01384	0.8
98.20496	1.2
101.02448	2.0
113.02430	1.4
119.03505	1.5
132.65483	0.8
153.09195	66.4
154.09508	3.9
166.68172	0.8
186.32962	0.7
188.06895	0.7
189.35004	0.7
197.08162	100.0
198.08441	6.5
235.21065	0.7
273.02426	0.7
371.86310	0.9
377.14441	14.4
378.14883	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	377.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.8
59.24195	0.2
60.14423	0.2
67.01871	0.4
68.99796	0.4
69.03445	0.3
79.95725	2.8
80.06187	0.2
81.76575	0.2
85.02950	0.2
87.04490	0.3
95.01359	0.3
95.05022	1.9
95.95225	0.6
96.05343	0.2
96.95995	100.0
97.95937	0.2
98.83051	0.2
101.02415	0.5
111.00852	1.3
118.99007	0.2
121.02913	0.3
121.42754	0.2
127.04005	0.4
139.00333	0.9
139.04012	0.7
147.04584	0.2
148.09517	0.2
149.02451	0.7
173.04469	0.4
261.43152	0.2
275.05646	0.5
275.09158	0.5
279.80493	0.2
307.08282	0.5
377.19946	34.8
378.20316	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	377.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.2
53.13673	0.3
59.01367	0.3
64.64139	0.2
70.31127	0.4
70.31517	0.3
79.95721	2.2
84.58349	0.2
96.66689	0.2
96.95997	100.0
97.95931	0.5
223.75294	0.2
377.19952	39.8
378.20288	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82782	0.2
59.01373	5.2
61.98818	0.2
65.19860	0.2
68.99783	0.3
69.03458	0.3
71.01378	1.6
71.61760	0.2
79.23458	0.2
79.95736	3.0
85.02937	0.4
89.02450	0.7
95.05017	1.1
95.95225	0.7
96.96000	100.0
97.95922	0.4
101.02429	1.9
104.14984	0.2
104.28258	0.2
104.33396	0.2
111.00841	1.1
113.02455	0.4
119.03484	0.5
127.03979	0.3
135.04478	0.4
139.00348	0.7
139.03995	0.5
149.02397	0.7
179.03462	0.3
180.03819	0.3
195.78325	0.2
275.05612	0.5
275.09009	0.3
307.08301	0.4
376.61795	0.3
377.19946	33.7
378.20300	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	377.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	16.5
61.98814	1.2
65.72453	0.8
65.92106	0.7
71.38786	0.7
71.62051	0.8
95.05031	6.7
96.95981	0.7
101.02415	0.6
112.83800	0.6
113.09719	3.1
154.71878	0.7
179.14375	1.5
182.46730	0.6
195.13885	18.1
196.48618	0.7
202.72778	0.8
217.11993	1.4
246.12329	1.2
249.10907	1.0
277.21674	16.7
278.11322	4.9
278.22006	1.7
295.22739	100.0
296.19931	1.3
296.23056	10.0
315.19437	1.0
317.20926	49.8
318.21216	6.0
361.19901	4.8
362.20294	1.0
377.22559	11.3
378.22470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.4
61.98821	1.9
64.80552	0.8
65.00375	0.8
71.16249	1.5
95.05036	1.2
117.00438	0.8
125.09752	1.8
151.11292	1.1
171.10248	35.2
172.10587	2.5
191.06926	1.0
195.13789	0.9
209.07848	1.1
241.21970	0.9
260.96390	1.0
276.71405	0.8
277.21689	47.7
278.21964	4.3
295.22745	100.0
296.23041	12.2
315.19611	0.9
317.20929	35.2
318.21225	3.8
335.20352	0.9
343.72098	0.8
361.19922	5.2
377.22937	28.9
378.23111	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	377.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47896	14.0
53.05252	15.2
59.01365	74.6
61.98820	79.9
70.47376	14.1
70.75712	29.4
70.76086	35.6
72.80621	15.5
83.97031	17.3
92.97461	78.2
93.19450	16.1
96.95988	34.7
105.45313	17.4
130.08727	21.2
145.02933	29.3
149.06038	43.4
150.45621	15.2
168.68518	15.7
219.97772	37.8
283.27438	100.0
292.98306	25.2
333.27084	21.5
341.20740	45.0
377.19543	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	378.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59171	0.4
59.01365	3.0
61.98821	100.0
70.68841	0.8
70.69214	0.8
71.01378	1.4
72.01717	0.6
78.95885	0.5
89.02419	2.2
90.44070	0.3
95.01409	0.4
101.02431	0.8
102.91467	0.4
113.02444	0.4
119.03499	1.2
161.04568	0.4
165.03477	0.3
179.05707	0.5
286.83789	0.4
319.14047	0.6
341.11005	2.3
342.11264	1.8
343.12491	0.5
378.08966	0.9
379.08350	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	378.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
61.98825	100.0
62.98517	0.4
63.85860	0.4
66.23411	0.4
66.82845	0.3
71.60189	0.7
81.38885	0.4
102.34549	0.4
117.76717	0.4
181.93925	0.4
223.85324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77244	0.3
59.01388	0.3
61.98822	100.0
69.80791	1.3
69.81202	0.8
74.58897	0.3
84.47551	0.4
98.19966	0.7
102.77776	0.3
239.39680	0.4
330.91656	0.4
396.21381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48085	0.3
55.26408	0.3
58.20711	0.3
58.82629	0.3
59.01358	0.4
60.93208	0.3
61.98825	100.0
74.24628	0.3
94.07517	0.3
95.05045	0.3
96.93790	0.3
96.95972	0.4
110.65464	0.3
180.01501	0.3
183.10211	0.5
293.21231	0.7
341.09692	0.5
378.18890	5.2
379.19556	0.7
379.25049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0335
Annotation	CHEBI:70616
Peak:m/z	Relative Intensity
59.01373	5.9
61.98822	4.1
71.01374	5.3
71.60240	0.5
72.99308	0.7
78.95887	0.8
79.95729	3.3
80.96516	2.8
85.02938	1.3
87.00865	1.6
89.02444	4.2
93.03446	3.2
95.01373	0.4
95.32225	0.4
95.95272	0.4
96.96001	100.0
99.00877	0.7
99.04494	1.0
101.02442	3.2
107.05000	0.5
113.02449	2.3
119.03499	2.0
122.97523	0.5
135.04498	1.6
137.02438	3.1
138.97050	8.2
143.03491	0.9
150.97064	1.3
161.04555	0.8
164.98615	0.8
168.98099	0.7
179.03535	0.4
179.05602	1.8
180.98103	1.1
211.66063	0.4
220.26138	0.4
222.99171	2.0
234.66963	0.4
241.00198	36.9
242.00514	1.6
319.13818	0.5
337.72855	0.5
341.10770	2.2
343.12405	7.9
344.12662	0.7
379.03360	47.9
379.08261	2.6
379.16113	1.3
380.03656	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	379.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.7
59.01371	5.1
67.01866	1.5
69.03448	100.0
70.03770	2.1
71.01376	2.8
71.61968	1.2
72.99294	2.4
73.02945	1.0
79.01878	4.1
85.02944	2.4
89.02419	0.9
93.03431	1.8
95.01380	3.0
97.02947	18.2
99.00867	24.2
100.01217	1.1
107.05014	13.0
113.02418	1.3
119.05013	4.9
121.02893	1.2
123.00861	1.1
134.03722	6.0
137.06102	6.0
141.01929	9.0
173.04538	2.1
181.05011	5.6
185.00883	41.0
186.01234	2.1
193.04973	5.0
199.05963	1.2
205.05017	1.8
277.14438	0.9
379.06409	5.0
379.10638	1.0
380.13712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0794
Annotation	U-0126
Peak:m/z	Relative Intensity
56.08834	0.2
59.01376	2.8
59.89405	0.2
61.98824	2.0
70.87765	0.4
70.88108	0.4
71.01360	1.3
73.02940	0.5
78.95895	100.0
85.02940	1.0
89.02428	1.1
96.96946	2.6
101.02436	1.1
113.02419	0.4
119.03447	0.5
133.02957	0.4
135.04530	0.3
161.02449	1.9
179.05617	0.3
187.06024	0.3
199.09709	0.4
201.16968	0.3
217.10934	0.3
292.00000	0.4
341.08948	1.1
371.70593	0.3
379.07950	31.0
379.15176	3.5
380.08386	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01373	7.3
59.37184	0.7
69.03448	18.0
71.01370	0.8
71.62720	1.7
78.91878	10.3
83.04992	1.4
85.02943	3.3
91.05528	1.5
93.03448	7.8
93.07100	1.1
95.05043	1.1
107.05016	100.0
108.05360	3.7
108.66076	0.9
109.06583	9.0
111.00895	1.7
111.04507	7.1
113.02444	2.1
115.07658	1.0
119.05006	38.9
120.05324	2.1
121.02930	10.6
135.04521	1.5
137.02458	1.3
137.06064	48.1
138.06358	1.7
139.03998	1.9
151.03966	1.0
153.05583	3.6
163.03996	6.7
181.05051	45.6
182.05371	1.8
194.94554	1.0
199.06114	7.0
205.04985	1.1
273.07657	1.8
274.87079	1.9
287.09372	1.0
299.09265	4.8
304.45465	1.0
317.10278	5.0
318.86090	3.4
336.87039	1.3
379.10175	1.4
379.15878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66341	0.4
53.73586	0.4
59.01376	0.8
61.98803	0.5
68.99824	0.6
69.03470	0.7
69.30379	0.4
71.05006	0.7
77.08949	0.4
80.55829	0.4
81.88660	0.4
83.01379	5.4
91.29741	0.4
95.08626	0.8
114.25362	0.4
135.04504	0.6
137.06082	0.7
143.97543	0.4
181.08679	100.0
182.08983	6.5
305.37534	0.4
306.08044	0.5
328.31116	0.4
350.52917	0.5
379.11938	1.2
399.22800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.4
59.01357	5.4
61.98815	1.4
67.01893	2.8
68.99801	1.6
71.01363	1.7
73.02922	1.2
79.05518	2.3
82.63580	1.2
87.04498	10.6
91.01857	1.7
91.05558	1.2
93.03442	2.9
93.07074	2.3
95.05025	1.4
99.04478	2.2
101.02438	3.1
106.04176	6.0
109.06567	15.0
110.06922	1.6
111.00876	12.2
111.04494	2.4
112.19732	1.1
119.05035	5.1
121.01858	1.1
121.02940	1.9
121.06579	97.0
122.06905	4.7
123.04468	3.7
125.05953	1.4
137.02435	12.6
137.06067	9.3
138.68877	1.2
139.07634	4.0
145.06105	4.3
147.04475	11.5
153.05630	7.0
153.09187	100.0
154.09564	6.0
164.04834	1.4
165.05536	70.0
166.05893	3.1
173.04439	1.6
179.07137	12.9
181.05009	3.3
197.08154	72.1
198.08478	4.2
213.07507	1.4
213.12804	1.7
223.06195	1.3
229.07123	5.3
231.13957	1.7
241.07088	9.2
246.34477	1.3
259.08200	1.7
349.12808	3.4
359.51584	1.2
361.12946	9.4
362.13235	1.9
379.18369	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03445	4.9
58.00585	1.0
59.01085	1.5
59.01369	18.0
68.25978	0.8
69.84976	1.5
69.85395	3.0
71.01369	17.0
72.99313	1.3
73.02927	5.3
75.00863	61.0
81.22628	0.9
83.01365	1.7
85.02942	17.0
87.00816	1.0
89.02437	7.1
95.01364	1.7
97.06571	1.5
99.00867	1.7
100.40185	1.0
101.02426	11.8
113.02439	6.1
117.01879	1.2
119.03490	2.3
129.01945	1.5
137.09680	1.5
155.10770	2.1
159.02983	0.8
159.26701	0.9
161.04517	2.1
199.09746	5.2
217.10808	5.3
224.50208	0.9
237.06120	28.0
238.06570	1.3
361.14859	2.3
379.16022	100.0
380.16437	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	379.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91348	1.1
57.03433	3.9
58.02965	1.8
59.01373	12.5
66.91652	1.0
67.01870	1.9
69.03461	1.5
70.61689	3.7
71.01372	16.7
72.99297	5.1
73.02934	2.9
75.00864	5.9
81.13531	1.2
83.01373	4.2
85.02943	8.9
86.13162	1.1
87.00874	14.8
88.04039	10.0
89.02435	6.7
95.01371	1.2
97.02952	2.4
99.00880	4.5
99.04507	82.2
100.04831	1.3
101.02390	5.5
103.00341	1.8
105.01922	43.6
111.00845	12.6
113.02399	2.2
115.03974	2.4
117.01888	1.6
129.01930	27.1
135.04459	1.1
141.05554	1.4
147.02986	16.2
150.03348	1.3
159.03012	2.2
161.04509	1.3
167.74902	1.2
176.27623	1.2
176.40686	1.3
177.04027	51.9
178.04440	2.0
183.10214	2.1
185.08279	1.3
201.11287	5.3
211.10930	1.6
214.15561	1.7
229.07193	2.4
247.11798	3.6
259.08203	11.9
300.15631	7.5
313.13284	1.6
330.68771	1.3
344.18384	5.6
351.64590	1.2
373.18375	1.4
379.16028	100.0
380.16235	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	379.1605
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01863	2.8
57.03434	2.4
58.00584	3.6
58.74524	0.4
59.01372	90.3
60.01704	0.8
69.03466	1.3
69.80249	1.1
69.80664	1.6
70.50806	0.5
71.01375	68.8
71.54681	0.4
72.01720	1.4
72.99297	4.0
73.02936	8.2
75.00872	1.1
83.01372	3.5
85.02428	0.9
85.02942	15.8
85.84315	0.5
87.00871	4.2
87.21269	0.4
89.02435	100.0
90.02760	1.3
93.03475	0.5
95.01379	3.9
97.02940	1.1
99.00867	4.0
101.02429	39.2
102.02776	1.1
105.01942	1.8
113.02437	27.3
114.02787	0.7
115.04013	0.7
119.03488	29.7
120.03851	0.8
125.02421	1.7
129.01932	1.3
131.03488	14.7
131.04439	1.0
135.04424	0.5
143.03477	5.9
144.03751	0.6
149.04536	27.1
150.04901	1.2
153.09203	0.5
161.04550	8.1
166.43445	0.5
177.03999	2.5
179.05583	27.4
180.05942	1.0
183.10236	2.7
185.18887	0.5
191.05568	4.9
201.11295	5.9
247.11813	13.1
248.11987	0.5
257.41483	0.4
343.13904	1.6
379.16031	21.1
380.16537	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	379.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03449	2.1
58.00576	0.6
59.01376	14.8
67.73125	0.3
69.03426	0.5
69.71082	0.3
70.98000	0.8
70.98310	0.4
71.01372	15.9
71.04977	0.4
72.99311	0.8
73.02937	3.2
75.00854	0.4
77.95303	0.4
81.08282	0.4
83.01373	2.6
85.02941	5.9
86.00056	0.4
87.00851	1.2
87.10286	0.4
89.02439	3.9
95.01352	0.9
99.00837	1.0
101.02442	7.1
111.00873	0.5
113.02438	3.5
119.03500	0.7
125.02414	0.6
125.09728	1.1
135.69179	0.4
137.32364	0.4
139.11259	0.4
167.10789	0.7
185.11833	2.1
187.09747	1.6
199.13307	0.9
201.11258	0.4
206.98062	0.3
217.14412	12.6
217.16533	0.6
218.14752	1.0
259.15384	0.7
347.17206	1.1
361.18573	3.3
379.19659	100.0
380.20029	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05458	0.2
54.27148	0.2
62.98644	0.2
64.26114	0.2
79.95724	2.6
90.36687	0.2
96.95996	100.0
97.95923	0.5
148.11049	0.2
219.18327	0.2
229.31581	0.2
264.10315	0.2
365.21237	0.2
379.21521	39.9
380.21823	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	379.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26340	0.2
59.01374	0.6
70.51538	0.3
70.51920	0.4
71.01396	0.2
79.95724	2.3
89.02442	0.3
94.04569	0.2
96.96001	100.0
97.46583	0.2
97.95939	0.5
208.35156	0.2
208.39714	0.2
311.44830	0.2
379.21539	39.8
380.21909	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	379.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32884	3.5
61.98812	5.3
62.33868	3.0
71.61483	4.5
76.60454	3.2
80.54209	2.8
81.03448	4.2
81.52973	3.3
83.05012	18.7
93.03471	3.2
107.12572	2.9
111.04503	100.0
155.03297	2.9
171.37419	3.0
185.00343	2.8
194.92647	3.3
197.65578	3.0
205.10631	3.4
328.97830	2.7
333.31042	3.1
340.65793	3.2
379.32065	39.3
380.32501	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	379.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.74803	0.3
62.81962	0.4
70.62623	0.7
81.03451	5.8
83.05017	20.7
84.05347	0.8
86.01633	0.4
93.03447	2.0
96.96039	0.4
102.89375	0.4
111.04508	100.0
112.04832	4.1
138.12047	0.4
155.03477	2.0
257.20786	0.4
309.07120	0.4
341.31024	0.5
379.32108	43.0
380.32559	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	379.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
59.01373	0.6
69.94643	1.7
70.17236	0.3
81.03451	6.6
83.05016	18.0
91.22288	0.4
93.03443	2.4
101.37255	0.4
109.02950	0.8
111.04506	100.0
112.04831	3.8
127.02448	0.4
155.03484	1.7
164.47696	0.4
232.80011	0.4
284.99850	0.4
379.32117	36.8
380.32434	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	380.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09943	0.3
52.83419	0.4
57.36208	0.4
58.02961	0.4
59.01374	7.2
60.01711	0.7
61.98822	100.0
63.99244	0.5
66.80938	0.3
69.95323	0.9
69.95715	0.8
71.01370	2.9
72.01717	0.4
73.02946	1.0
78.95897	0.4
83.01385	0.4
83.05055	0.4
85.02953	1.2
86.03327	0.3
87.00856	0.4
89.02432	2.6
90.02776	0.4
96.95995	4.0
96.96976	0.5
98.19955	0.8
98.20561	0.8
99.09377	0.3
101.02431	2.7
113.02448	1.3
113.36717	0.3
114.73827	0.4
119.03498	1.3
143.03612	0.4
143.04597	2.1
151.02681	0.5
151.03955	0.9
157.08653	0.5
161.02455	0.5
161.04477	1.7
179.05562	0.4
198.07695	0.5
242.00414	0.4
283.07050	0.4
320.14191	3.1
321.14828	0.6
342.11267	1.5
343.12231	0.8
344.12585	0.6
380.03836	0.8
380.08591	1.2
381.17581	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	380.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01714	1.4
61.01013	0.5
71.61926	0.8
76.77346	0.5
94.96713	0.5
99.89856	0.4
112.52612	0.5
133.80170	0.5
152.99620	0.8
167.92102	0.5
223.03682	0.6
240.53970	0.5
320.26022	1.2
324.08194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	9.2
61.98816	5.5
63.99233	2.3
70.43697	1.3
70.44051	1.9
71.01366	8.1
71.67074	0.9
73.02929	1.1
77.34557	0.8
85.02941	2.6
87.00877	2.4
89.02421	5.3
89.03913	0.8
101.02443	4.3
109.02906	2.2
113.02426	3.1
119.03475	2.9
121.02950	1.3
122.03657	1.1
123.04503	24.0
149.02423	2.5
150.01979	1.6
150.03194	32.7
151.03983	100.0
152.03253	0.9
152.04320	4.7
153.05508	1.2
161.04523	1.3
179.05560	1.9
189.07628	1.5
199.42213	0.8
201.11406	1.3
202.41061	0.9
219.12262	1.7
272.88434	1.0
313.09219	56.4
314.09616	4.4
345.11813	2.6
363.16464	1.9
381.17621	16.5
382.17734	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	381.1184
Annotation	Inumakilactone C
Peak:m/z	Relative Intensity
58.54093	1.3
59.01370	4.8
60.05218	1.5
62.08271	1.3
66.95913	1.4
69.85748	7.5
71.01377	2.1
95.08659	5.9
97.02911	1.8
98.19836	2.0
109.06559	11.7
111.00849	1.7
111.04526	4.6
121.06595	22.3
123.04501	3.5
127.07631	21.8
131.66479	1.4
139.07632	100.0
140.08000	4.5
153.05528	7.7
157.08678	10.2
165.05551	50.9
166.05959	2.1
171.06630	20.8
183.06604	46.0
184.06903	2.9
184.65257	1.3
197.04468	3.0
201.07649	26.2
202.07938	1.5
215.05574	1.7
227.05598	40.3
228.05838	1.7
245.06625	8.8
319.11996	7.2
320.11981	1.6
337.12881	9.6
351.10809	5.2
363.10788	33.5
364.11282	3.3
381.11865	81.1
382.12250	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	381.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09195	0.3
51.88604	0.5
57.61456	0.4
59.01369	1.4
59.20554	0.4
71.01364	0.7
71.62305	0.8
82.10458	0.4
83.05020	0.8
85.02996	0.5
93.03439	3.3
103.04910	0.4
103.05544	1.6
105.07104	0.9
111.04483	2.7
116.31116	0.4
116.60415	0.4
117.03469	0.6
119.05021	1.4
123.04438	0.5
129.01970	0.5
131.05029	2.7
133.06595	2.5
135.04523	0.8
136.01642	0.6
136.75729	0.4
137.02435	0.6
145.02950	1.0
147.04465	2.5
149.06058	2.6
155.03479	3.2
161.02426	1.6
163.04001	0.7
163.07697	0.7
173.04523	6.1
186.87402	0.4
192.04306	0.8
207.06599	100.0
208.06929	7.0
279.15918	0.5
284.16400	0.5
337.20181	0.5
357.64874	0.4
380.68515	0.4
381.11975	6.1
381.19150	1.4
382.11710	0.6
395.18829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29084	0.4
53.32498	0.4
57.03439	0.6
59.01361	2.1
60.99310	0.6
64.39919	0.4
64.89708	0.4
64.93018	0.4
67.01883	5.2
69.03453	0.8
69.86443	1.8
71.01366	3.5
81.03465	0.5
83.04996	1.1
85.02932	0.4
87.00866	0.5
91.81604	0.4
93.03447	26.6
93.12811	0.4
94.03771	0.7
99.04517	0.9
109.02927	1.0
111.00851	0.9
111.04500	4.7
131.04999	0.6
137.02426	4.6
139.85561	0.4
149.06065	0.8
155.03452	4.5
156.03677	0.4
161.02422	0.8
173.04523	100.0
173.85815	0.4
174.04863	3.9
177.87010	0.4
207.06596	14.7
208.06924	0.6
222.68578	0.4
264.68164	0.4
304.41873	0.5
310.82690	0.6
326.26700	0.4
381.11911	2.9
382.12402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
68.44248	0.3
68.99806	1.2
69.37167	0.3
69.67342	0.6
69.67765	1.2
73.52891	0.3
77.62061	0.3
78.95900	0.3
80.33617	0.3
83.01377	8.2
91.16100	0.3
92.15462	0.3
96.95988	0.5
98.20588	0.6
139.07664	1.5
144.57376	0.3
146.94844	0.3
183.10233	100.0
184.10568	5.8
185.14159	0.3
253.27133	0.3
260.16699	0.3
381.13345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25801	0.4
53.21673	0.4
55.01875	1.2
57.03437	1.6
58.00562	0.6
58.99598	0.5
59.01373	13.7
69.82108	1.9
71.01375	16.7
72.99300	3.8
73.01176	0.9
73.02942	6.1
83.01387	2.9
85.02940	6.4
86.00108	0.7
87.00860	1.8
89.02442	3.9
95.01385	0.8
96.41834	0.4
98.19959	0.7
99.00885	2.1
101.02432	18.1
102.98607	2.6
107.98858	0.4
111.00816	0.9
113.02440	6.0
119.03475	1.2
123.30905	0.4
129.01872	0.4
129.09154	0.5
143.03476	0.4
153.05556	0.8
159.02988	1.4
161.04535	3.6
183.10277	0.4
196.09244	0.4
201.11316	1.6
208.02806	0.5
219.12329	1.3
249.06093	0.5
259.02856	0.4
283.04974	2.1
291.14487	5.2
311.07053	0.4
317.15958	4.8
343.09973	0.6
345.11896	2.4
363.16550	11.5
364.16891	1.0
381.17590	100.0
382.17935	11.0
382.22525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.15477	0.7
57.03434	5.1
58.00565	0.9
59.01093	1.3
59.01373	19.6
60.65959	0.7
68.56287	0.7
69.51146	0.8
71.01369	18.3
71.60632	1.2
72.99294	2.2
73.02943	6.5
75.00860	72.1
75.67525	0.8
83.01380	3.3
85.02931	6.4
87.00869	1.3
89.02431	7.6
95.01373	1.8
99.00870	1.9
99.08144	3.3
101.02425	13.5
105.95734	0.8
113.02431	6.6
117.01920	2.0
119.03474	2.1
127.11243	4.3
137.09735	0.9
139.11266	2.9
155.10727	1.5
157.12320	7.5
161.04536	2.5
167.03491	1.1
201.11284	6.7
219.12331	3.3
237.06081	31.8
238.06448	1.9
249.13536	1.0
363.16589	2.2
381.17578	100.0
382.17944	11.6
382.42242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
55.89822	0.6
57.03439	3.0
58.00575	1.4
59.01375	31.3
67.01901	0.7
69.03442	1.5
69.61752	3.4
69.62151	1.1
71.01376	49.2
72.01702	0.8
72.99293	2.5
73.02940	25.3
75.00848	1.3
81.55293	0.6
83.01372	12.2
85.02944	26.1
85.06552	0.7
86.00079	0.7
87.00859	3.4
88.98792	2.2
89.02435	9.2
93.03447	2.0
95.01375	2.7
97.02935	2.7
99.00877	10.6
101.02433	58.1
102.02758	1.1
108.48912	0.6
111.00858	1.7
113.02436	19.5
115.04006	1.2
119.03602	0.7
125.02438	2.8
129.01924	1.5
131.03484	2.1
135.04524	1.7
137.02393	0.9
141.01936	0.8
143.03493	2.0
145.02951	1.0
148.44096	0.6
149.04570	1.0
153.05528	0.6
154.09601	0.6
159.02968	4.4
161.04547	19.6
163.03993	1.6
173.04546	6.4
179.03464	0.8
191.05519	1.1
205.03442	0.8
207.02916	1.2
219.06671	1.2
233.06677	1.6
249.13394	100.0
250.13736	5.2
293.08908	0.8
337.20111	0.8
381.17609	93.6
382.17975	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	381.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.7
55.08880	0.5
57.03451	2.8
58.00579	1.3
59.01372	31.3
61.98819	1.9
68.99797	0.7
69.03423	0.8
69.95496	2.7
71.01376	48.1
72.01716	0.8
72.99304	2.2
73.02943	25.2
73.25606	0.6
73.27627	0.5
74.03279	0.6
75.00861	2.6
81.03449	0.6
83.01382	11.0
85.02941	26.7
85.06574	1.2
85.47645	0.7
86.00087	1.5
86.03278	0.7
87.00862	3.9
87.08144	0.8
89.02437	9.7
93.03438	0.9
95.01378	3.5
97.02934	2.9
98.20421	1.6
99.00863	10.4
101.02435	54.6
102.02746	1.1
111.00874	1.6
113.02442	19.8
114.02802	0.6
115.04008	1.4
119.03494	0.7
125.02451	3.0
129.01913	1.4
131.03491	2.6
135.04475	3.6
143.03485	2.4
149.04601	1.4
159.02988	3.3
161.02362	2.2
161.04552	17.5
164.18735	0.6
179.03496	5.8
191.05586	1.0
204.10408	0.7
233.06679	1.7
234.44571	0.5
249.13394	100.0
250.13736	7.0
293.12430	0.7
302.07068	0.6
310.25647	0.6
313.16998	0.7
342.00037	0.7
345.62283	1.1
350.61642	1.0
381.17599	79.4
381.61786	0.8
382.17972	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	381.1913
Annotation	Viguilenin
Peak:m/z	Relative Intensity
58.00574	0.9
59.01382	2.2
61.98813	1.2
69.03443	1.8
71.01376	1.2
71.15202	0.7
73.02932	1.0
78.89057	0.3
78.95872	0.4
83.05000	0.4
85.02946	0.8
87.00889	0.6
95.04996	0.4
101.02433	0.4
104.20539	0.4
113.02428	0.6
113.06063	0.6
130.85237	0.3
133.02986	0.4
135.04480	1.3
135.08116	0.8
137.09685	2.8
155.10773	1.3
159.89267	0.4
161.02437	0.8
163.03987	0.4
171.10211	1.6
179.03471	1.9
191.14330	0.6
199.09700	0.4
215.36768	0.4
217.10727	3.3
219.11372	0.7
233.19162	0.9
243.17674	0.4
245.19087	1.9
249.13478	0.4
255.17642	0.7
257.15451	0.9
257.19092	0.9
261.10046	0.5
263.20331	0.5
273.18530	1.4
275.20123	1.1
309.20590	0.4
319.19080	0.8
335.18475	0.8
337.20135	36.4
338.20471	3.7
381.19113	100.0
382.19449	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	381.264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
66.65324	1.1
71.62222	1.3
71.62642	1.6
78.95913	2.1
152.99550	1.8
174.99214	2.8
175.86198	1.2
215.50119	1.3
217.00275	8.9
359.60605	1.3
377.28488	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	381.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.2
67.76082	0.5
70.10781	2.1
74.27779	0.5
78.95909	0.9
79.78400	0.5
90.26298	0.5
137.06093	0.5
139.27979	0.5
144.51608	0.5
149.06091	0.6
151.07654	1.6
152.99585	1.3
170.05832	3.6
181.02177	0.5
181.12257	0.6
192.11510	0.7
199.13388	1.9
217.00276	0.8
233.19113	1.4
235.20596	1.4
249.18530	0.9
251.20180	2.6
261.18689	0.9
275.67032	0.5
277.18045	77.7
278.18402	9.5
279.19601	23.4
280.19925	2.0
295.19089	100.0
296.19440	9.4
345.24231	1.1
363.25342	17.7
364.25668	1.7
381.22092	0.7
381.26498	6.3
382.26810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50564	0.3
52.14816	0.3
59.01368	1.6
61.98822	3.7
65.62283	0.4
70.65129	1.2
70.65479	0.4
71.05018	0.5
74.25692	0.5
78.95930	0.4
125.27248	0.4
127.11234	0.4
127.33588	0.4
151.11290	1.0
152.99591	1.0
153.12833	3.7
155.14464	0.4
163.11272	1.4
165.12816	4.6
170.05870	3.2
179.10756	11.5
180.11159	0.5
180.42686	0.5
181.12311	35.5
182.12645	2.3
195.10228	1.8
197.11749	4.0
199.13364	100.0
200.13704	6.4
215.12817	2.4
217.00201	0.7
232.23123	0.4
267.20599	0.4
310.72202	0.4
363.25345	5.0
364.25647	0.7
381.26541	5.9
382.26706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0999
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
59.01375	3.3
61.98818	0.9
62.89933	0.3
71.01376	9.6
73.02940	0.4
78.95896	0.4
79.97353	0.3
85.02921	0.7
87.00879	0.8
87.47196	0.4
89.02434	1.9
92.02501	0.4
93.91202	0.3
98.88530	0.3
99.00830	0.5
101.02441	1.7
103.03862	0.4
107.03600	2.5
113.02451	1.0
115.00361	16.2
116.00689	0.5
119.03566	0.8
119.05011	0.5
123.04577	0.3
127.00317	0.7
131.26973	0.3
133.03947	1.2
134.04713	100.0
135.05173	2.6
135.06711	0.8
150.03188	0.4
151.03998	0.6
153.05528	0.5
161.04549	1.1
162.07832	8.2
163.04002	0.4
181.07002	0.3
188.05794	1.1
191.05531	0.5
206.06793	30.2
207.07156	2.2
224.21962	0.3
232.04805	0.6
250.05791	3.6
251.11317	1.7
266.08871	5.6
267.09415	0.5
311.07748	0.8
313.09253	0.5
314.09619	0.5
382.09976	35.1
382.17050	2.3
383.10312	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	382.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13633	0.5
59.01373	100.0
60.01720	0.9
60.50000	0.5
71.01366	3.3
71.07298	1.1
71.92547	0.5
73.02924	1.2
85.02939	2.9
87.00851	2.5
89.02433	1.9
93.03444	3.7
99.04510	1.2
101.02464	1.5
103.44446	0.5
105.03502	0.6
111.04500	0.9
112.55230	0.6
113.02464	1.3
117.31812	0.5
118.98133	1.5
119.03464	0.5
121.02960	0.5
133.02954	1.8
133.06917	4.1
134.03729	1.3
135.04526	1.9
137.02434	0.5
150.03215	1.8
155.03511	0.6
161.04578	0.7
163.04124	0.7
165.05669	0.6
165.50175	0.5
173.04541	10.5
174.04913	0.9
181.04976	0.6
191.05609	3.3
209.04544	1.7
215.07573	0.5
220.06107	0.8
247.04858	1.1
249.06122	1.5
250.07318	0.7
262.07272	0.6
269.42899	0.5
278.06735	2.4
292.08228	2.3
297.09653	1.2
337.20395	0.6
338.20508	2.7
381.19412	0.7
382.19504	9.7
383.13806	7.0
383.18829	1.3
383.84470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
58.00591	0.6
59.01375	11.8
61.98821	100.0
70.31705	0.6
70.32064	1.4
71.01369	9.3
71.56747	0.4
72.99280	0.6
73.02940	1.4
75.00858	0.6
78.95918	0.7
83.01388	0.5
85.02944	1.6
87.00878	1.0
87.04498	0.6
89.02432	9.8
94.51863	0.5
95.01373	0.5
96.90232	0.5
96.96015	0.9
96.96964	1.1
97.06588	0.6
101.02431	5.1
113.02415	3.8
115.00349	0.5
115.04023	1.3
119.03495	4.0
131.03496	0.8
134.04721	2.3
143.03545	1.0
143.04643	1.2
150.03206	0.5
151.03996	1.0
161.04535	1.6
179.05591	4.6
191.05560	2.5
221.13925	3.7
382.17883	1.8
383.11374	0.7
383.19211	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	382.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53712	0.4
55.08693	0.4
58.95096	0.4
59.01373	100.0
60.01702	1.0
60.77306	0.4
62.61089	0.4
64.45860	0.4
67.39136	0.4
68.00037	0.4
70.67072	1.3
84.01912	0.4
98.19810	0.5
149.02242	0.4
162.06654	0.5
170.12366	0.4
322.27615	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	383.0766
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01371	4.6
61.98820	4.3
68.99839	2.5
71.01363	2.2
71.61925	1.8
106.83686	1.1
109.74507	1.3
121.02941	100.0
122.03252	3.1
145.12898	1.2
147.04524	2.8
149.02351	2.1
163.11183	1.3
171.08157	1.3
180.05724	1.3
181.06544	4.2
191.03511	8.6
207.70985	1.4
217.05182	1.5
225.05496	7.7
251.07014	4.7
295.06006	10.0
305.68552	1.2
307.48477	1.3
311.09216	17.0
312.09387	1.5
313.07166	17.4
314.07458	2.3
339.08646	16.8
383.07635	32.0
384.08121	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	383.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06497	0.4
59.01364	2.0
62.65895	0.4
67.01882	0.4
70.09303	0.6
70.09688	1.0
71.01360	1.0
71.34062	0.4
73.02937	0.5
78.43951	0.4
81.03452	0.4
81.62696	0.4
81.78944	0.3
85.02942	8.1
87.00875	2.0
93.03438	2.8
98.20586	0.6
109.02918	0.9
111.04514	0.9
119.77331	0.4
127.03969	1.9
133.02995	0.5
152.57994	0.4
155.03453	0.4
171.03030	0.6
173.04515	1.1
191.05591	100.0
192.05942	4.4
201.05872	0.4
207.71997	0.3
245.87016	0.4
283.25891	0.4
303.67624	0.4
398.21588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76613	0.4
57.08265	0.4
59.01374	1.3
59.66579	0.4
63.21333	0.3
66.87781	0.4
68.40977	0.4
71.01366	0.8
73.02908	0.5
83.05000	0.5
85.02945	7.2
87.00860	2.0
93.03422	2.4
98.20667	0.6
109.02939	0.8
111.04493	1.1
127.04030	2.0
169.46277	0.3
171.02975	0.8
173.04536	0.7
191.05582	100.0
192.05957	4.6
201.04279	0.5
229.06279	0.5
300.98965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51285	2.3
59.01374	100.0
59.89982	2.6
61.98811	4.0
66.76173	2.8
69.53030	9.0
69.53445	10.8
71.01372	28.3
72.99284	3.2
73.11757	3.0
73.31437	2.3
75.00847	4.0
78.10833	2.8
81.03470	3.5
83.03762	2.6
85.02953	9.4
87.00872	30.6
89.02436	26.4
90.44697	2.5
92.96109	2.5
92.96730	2.9
93.03477	8.6
93.56225	2.5
95.01379	4.2
95.02180	2.3
95.07695	2.5
99.04567	3.1
101.02443	15.7
106.82202	2.8
113.02444	15.8
119.03531	14.7
119.04976	4.0
133.02957	7.6
133.06902	5.9
134.33453	2.9
135.04498	13.3
137.06075	98.7
138.06413	3.8
141.01950	3.1
143.03531	4.5
161.02454	5.4
161.04601	3.8
163.07631	5.8
173.04565	7.6
179.03503	11.3
179.05554	3.2
191.05609	17.4
197.08194	4.9
208.51682	2.7
218.22606	2.6
240.85852	2.9
383.17355	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	383.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63176	2.6
59.01372	86.2
61.94903	2.7
61.98816	3.3
70.31472	2.8
70.32630	3.6
70.32988	9.1
71.01363	16.6
73.02940	2.8
73.44965	2.8
75.00874	6.6
85.02921	7.8
87.00871	37.0
89.02436	14.1
93.03446	10.3
95.01378	3.1
101.02441	9.8
103.56256	3.2
113.02398	17.7
119.03514	8.6
119.04971	4.1
133.02943	5.3
133.06883	4.4
135.04492	11.3
137.06067	100.0
138.06441	3.3
141.01915	3.2
159.02910	3.0
161.02374	6.9
163.07559	3.7
173.04509	8.6
175.02327	3.7
176.29359	3.0
179.03488	13.9
179.05573	3.1
191.05609	21.1
204.00835	2.6
236.64899	3.0
261.88956	2.9
271.02939	2.7
285.09427	2.8
314.53311	3.0
325.11053	6.0
383.09406	3.8
383.17279	7.0
391.07184	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	383.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.64862	0.3
57.03427	0.4
59.01354	1.9
69.86649	1.8
71.01366	1.0
73.02953	0.5
83.05022	0.4
85.02932	7.1
85.51558	0.3
87.00845	1.9
89.02468	0.4
91.40111	0.4
93.03453	2.2
101.02396	0.5
109.02928	0.6
111.04489	0.7
127.03979	1.8
147.51083	0.3
156.24481	0.4
173.04533	1.3
191.05579	100.0
192.05954	4.4
221.64407	0.4
251.11287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.64862	0.3
57.03427	0.4
59.01354	1.9
69.86649	1.8
71.01366	1.0
73.02953	0.5
83.05022	0.4
85.02932	7.1
85.51558	0.3
87.00845	1.9
89.02468	0.4
91.40111	0.4
93.03453	2.2
101.02396	0.5
109.02928	0.6
111.04489	0.7
127.03979	1.8
147.51083	0.3
156.24481	0.4
173.04533	1.3
191.05579	100.0
192.05954	4.4
221.64407	0.4
251.11287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.5
59.01378	64.7
61.98827	38.4
71.01379	42.5
73.02919	19.1
75.00870	9.4
78.95892	13.3
83.01373	11.7
85.02941	25.5
87.00867	18.2
89.02428	13.4
98.20657	17.6
99.00877	69.8
101.02429	100.0
111.00871	42.7
113.02430	66.6
121.02969	9.7
129.01929	35.0
133.02986	11.4
135.04520	66.6
152.99561	13.0
159.02983	68.2
160.38054	9.5
161.02405	40.2
177.09154	13.7
179.03441	46.9
221.08215	10.2
260.58020	10.3
311.09531	70.9
311.59833	13.7
365.13547	27.8
383.14728	91.0
384.12463	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	383.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	13.9
58.75630	13.4
59.01370	50.5
69.28027	77.3
69.28461	52.6
71.00794	14.7
71.01363	44.2
73.02929	22.8
80.91678	16.3
83.01366	19.9
85.02928	30.7
85.88020	13.3
96.96017	46.2
98.20712	27.1
99.00868	51.2
99.25314	13.7
101.02434	91.9
102.85044	13.4
111.00851	23.9
112.01055	12.9
112.78075	13.5
113.02402	22.5
120.18326	13.0
120.61689	12.9
129.01901	31.2
135.04514	44.0
159.02995	68.3
161.02396	31.0
165.12782	25.3
173.04419	25.3
177.09207	16.1
179.03474	34.0
209.11737	100.0
213.53102	12.5
221.08153	24.9
311.09531	29.7
311.59564	19.8
317.59750	14.4
363.28842	15.6
383.14355	30.0
383.17764	20.8
406.34842	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	383.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
57.89800	0.2
59.01371	13.1
60.01711	0.2
60.99298	0.3
65.03938	0.2
67.01883	4.2
68.35815	0.2
69.03441	0.9
71.01370	3.0
71.61278	0.2
72.99313	0.3
73.02927	0.1
81.03453	0.8
83.01365	0.2
83.05022	0.9
83.05437	0.2
85.02934	0.8
87.00864	0.4
89.02426	0.3
93.03447	24.1
94.03802	0.8
97.70345	0.2
99.00866	0.4
109.02935	0.8
111.00855	1.1
111.04501	4.5
112.04864	0.1
113.02435	0.4
115.00319	0.2
119.03492	0.2
127.04006	0.3
129.01959	0.2
133.10208	1.1
137.01421	0.3
137.02425	4.5
149.06406	0.2
155.03487	4.6
165.12794	0.3
173.04520	100.0
174.04863	3.6
177.09160	1.1
191.05621	0.7
209.11795	13.0
210.12131	1.0
221.08150	1.2
254.48022	0.1
300.24356	0.1
383.16992	4.3
384.17334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01371	12.7
60.99285	0.3
65.03950	0.3
67.01878	4.5
69.03445	1.0
71.01372	3.1
71.61356	0.2
74.29079	0.2
81.03455	1.1
83.05019	0.8
85.02950	0.4
85.83877	0.2
87.00871	0.7
89.02409	0.2
93.03442	24.0
94.03752	0.9
99.00836	0.4
103.85895	0.2
109.02921	1.0
111.00896	0.9
111.04506	4.7
113.02443	0.5
127.03960	0.3
129.78569	0.2
133.10182	0.6
137.02419	4.3
155.03473	4.3
155.35910	0.2
156.03786	0.2
165.12743	0.2
173.04515	100.0
174.04858	4.7
177.09178	1.4
191.05606	0.7
209.11794	13.2
210.12149	0.9
221.08214	1.1
383.17075	4.8
384.17371	0.6
391.32193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01373	9.0
67.01886	4.1
69.03438	1.3
69.19985	0.6
70.23155	1.5
71.01379	5.1
74.54146	0.5
81.03442	1.0
83.05014	1.5
85.02960	0.8
87.00861	1.7
93.03448	25.7
94.03778	0.9
94.19167	0.5
96.95996	1.2
99.00855	0.7
101.02410	0.8
101.69082	0.5
109.02943	1.0
111.00841	1.1
111.04517	5.7
113.02451	0.9
115.00356	5.8
127.03946	0.7
133.01401	0.7
135.11784	0.6
137.02428	5.2
147.11775	1.3
155.03473	5.3
157.01357	0.7
165.12796	2.5
173.04523	100.0
174.04892	4.8
175.02469	4.7
191.05548	0.9
209.11806	13.1
223.13139	0.5
230.60101	0.6
383.13416	4.0
383.17715	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	383.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11182	2.0
52.05037	2.2
59.01374	9.7
61.98825	100.0
70.30226	2.2
71.60691	2.2
71.62137	2.4
83.36412	2.2
93.85718	2.4
108.16358	2.3
117.86221	2.2
237.46230	2.5
252.49329	2.5
329.75555	3.1
351.51169	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	383.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85291	1.3
61.98819	2.5
63.18044	1.2
83.05061	1.3
96.95990	2.0
100.28306	1.1
107.73807	1.1
115.04031	6.1
119.36342	1.3
162.32561	1.3
168.59776	1.1
217.43030	1.2
247.13887	1.4
321.31573	58.5
322.31888	8.2
325.18463	1.9
339.32458	1.7
365.30530	14.3
366.30853	2.3
383.31586	100.0
384.31888	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	385.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44866	0.7
55.01863	1.9
56.22618	0.6
57.03440	13.0
59.01368	6.7
60.24765	0.6
69.54373	4.1
71.01379	3.3
72.99294	1.8
75.00861	1.8
83.01386	2.9
84.02150	2.6
85.02940	100.0
86.03272	2.1
87.00889	1.5
89.02468	1.0
93.03439	0.8
103.00336	1.6
111.00861	2.2
129.01923	5.7
132.12001	0.8
134.03719	5.1
147.02972	10.2
151.04022	0.8
170.49280	0.7
173.00827	1.1
173.04562	1.1
174.01707	0.9
188.29706	0.8
191.01950	30.8
191.05437	3.4
192.02312	1.3
193.05058	2.9
209.02989	10.3
211.05978	0.8
225.08278	0.7
385.07312	1.2
385.11469	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.6
55.01864	2.5
55.34832	0.5
57.03443	13.1
59.01376	7.8
60.73893	0.5
68.99821	1.0
69.48295	3.0
69.48713	1.5
71.01369	5.5
72.99297	2.2
73.02946	1.4
75.00867	3.9
83.01370	3.6
83.47682	0.5
84.02148	2.2
85.02943	100.0
86.03291	1.9
87.00867	1.3
89.02419	0.9
101.02447	2.0
103.00378	1.4
111.00863	5.7
115.00364	1.6
129.01924	7.2
130.71948	0.5
133.06529	1.3
134.03745	5.1
147.02988	12.4
149.02422	7.3
149.06067	0.8
163.03987	1.2
164.04770	5.7
169.02774	0.6
173.00891	1.3
174.01654	3.4
179.07111	2.3
181.07149	1.3
191.01958	32.6
192.02298	0.8
193.01392	0.6
193.05061	3.0
208.03729	2.8
209.03001	12.2
223.06091	10.3
224.06462	0.7
231.64552	0.5
325.09030	0.9
385.07181	0.9
385.11575	5.2
395.71066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
57.03431	12.5
59.01371	57.2
59.39348	2.5
70.51344	3.0
70.51703	8.7
71.01363	28.1
73.02929	18.5
75.07520	2.9
83.01360	8.2
84.02160	4.1
85.02938	100.0
85.35545	2.9
86.03265	4.0
89.02430	14.1
93.03433	3.7
100.10232	2.9
101.02445	20.0
113.02426	13.1
115.00301	3.2
119.03517	4.1
119.05004	29.2
129.01889	7.9
134.03729	3.0
137.02429	2.8
147.02975	12.2
149.02377	5.7
150.04874	2.7
161.04497	3.2
163.03970	14.7
165.01921	3.2
171.18813	3.3
171.48660	2.5
175.06029	3.3
181.05038	3.5
191.01965	26.3
191.03491	3.7
191.04018	2.7
191.05591	21.2
193.06084	4.6
204.12717	2.9
209.03012	6.3
213.53270	3.3
223.05936	3.2
235.25423	2.8
237.30293	2.8
240.30367	2.9
281.10297	20.4
293.66449	2.8
299.11380	4.8
385.11148	5.9
385.67157	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1135
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
55.10717	7.2
57.86623	7.0
59.01371	100.0
65.46037	6.5
67.87188	6.5
70.92254	14.5
71.01378	45.3
73.02925	35.0
83.01353	8.6
83.59933	6.3
85.02939	8.6
89.02433	28.4
97.36025	6.9
101.02457	34.7
113.02435	24.9
113.28855	7.4
119.03514	14.3
119.05005	50.3
138.76392	7.8
149.02431	26.5
159.00592	7.3
161.04463	14.8
164.04767	27.1
165.64140	7.3
208.03879	8.7
223.06136	35.1
281.10291	34.3
299.11298	8.8
341.12524	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
69.79455	32.9
71.01370	30.4
73.02942	41.3
82.37770	5.5
85.02966	10.3
89.02425	24.3
96.12912	6.5
98.19868	12.9
101.02435	34.1
104.75169	5.6
110.17065	5.5
113.02408	29.0
116.28165	4.9
119.03411	9.3
119.04986	43.6
161.04547	8.4
165.01913	6.7
174.01610	8.8
199.89400	5.7
204.53136	5.6
214.35243	5.6
218.79515	5.7
281.10257	46.6
299.11285	17.9
308.72873	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	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.2
59.01378	19.6
61.98828	1.2
64.42412	1.0
69.54269	7.5
71.01366	11.8
73.02934	1.9
74.33419	1.1
83.01355	1.3
85.02925	5.0
87.00901	1.1
87.04488	1.9
89.02437	8.6
92.86687	1.0
93.03456	1.2
95.01361	2.7
101.02420	7.7
108.30601	1.1
108.51022	1.2
111.04516	1.3
113.02433	8.9
119.03472	3.7
133.10201	2.4
135.04567	1.4
135.11784	18.5
136.12137	1.6
146.07321	2.0
148.35544	1.0
159.08105	2.0
159.11716	2.3
161.02422	1.2
161.04492	2.2
161.09702	15.0
167.10832	1.3
176.27792	1.1
179.10745	100.0
180.11108	7.9
203.10724	9.0
221.11732	2.9
223.09720	61.4
224.10013	5.6
253.30562	1.0
265.10651	3.9
325.12802	2.2
348.77740	1.2
385.14920	5.7
399.90295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	1.7
59.01371	18.9
61.34739	1.3
68.55356	1.2
69.89500	1.0
71.01029	1.4
71.01385	11.4
72.51603	1.1
73.02927	2.2
75.00873	1.3
85.02939	4.4
89.02442	8.9
95.16462	1.1
101.02432	7.4
111.04489	1.9
113.02446	9.5
119.03459	3.0
120.05762	1.7
120.52859	1.3
133.10257	2.2
135.11784	21.7
143.03389	1.8
146.07347	1.6
159.08113	1.7
159.11755	3.5
161.04503	1.9
161.09712	16.8
167.10789	1.8
175.11205	1.4
175.69189	1.3
177.12793	1.6
179.10750	100.0
180.11124	7.4
189.05371	1.1
203.10753	10.8
204.11052	1.5
205.08585	2.2
216.34006	1.2
221.11891	2.9
223.09731	66.7
224.10010	5.4
265.10779	4.9
281.99329	1.3
295.34784	1.4
325.12869	1.6
385.15131	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	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	2.0
59.01372	48.1
59.18739	1.3
68.83891	1.5
69.57801	9.8
69.58183	2.9
71.01373	29.8
73.02926	3.0
75.00877	1.9
83.01405	1.4
85.02936	7.3
89.02436	28.3
95.01370	2.7
97.02978	1.5
101.02439	13.4
113.02431	16.6
116.94337	1.5
119.03484	7.2
120.05822	4.9
131.03502	1.5
133.10223	4.4
135.11772	17.4
136.12074	1.4
143.03526	2.2
143.08662	2.0
146.07394	5.9
149.09744	2.4
152.04768	2.7
159.08188	2.0
159.11797	3.2
161.04539	2.4
161.09702	47.3
162.10014	2.2
179.05597	4.1
179.10748	100.0
180.11075	10.5
193.12344	1.4
203.10773	16.1
205.08684	1.7
221.11839	4.4
223.09724	74.9
224.10127	5.1
265.10822	3.3
385.15024	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30529	1.3
52.76609	1.0
57.03444	1.3
58.00600	1.2
59.01371	40.1
71.01369	23.6
72.99291	1.7
73.02930	1.9
85.02951	6.3
89.02439	23.7
92.24965	1.6
98.19851	3.1
101.02421	11.6
105.20041	1.1
107.05008	1.3
111.04486	1.6
113.02438	13.9
119.03494	5.9
120.05796	5.5
121.10164	1.2
133.10219	4.1
135.11786	17.7
141.47118	1.2
143.03508	1.6
143.08606	2.5
146.07307	4.4
149.09700	1.6
152.04834	1.4
159.08148	1.6
159.11769	3.4
161.04558	2.2
161.09691	36.1
162.10010	3.1
173.04500	4.8
177.12898	1.5
179.05560	3.6
179.10750	100.0
180.11147	6.4
193.12363	1.8
203.10770	10.6
221.11739	4.0
223.09724	61.1
224.10075	1.8
385.14914	5.3
385.81607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1863
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
51.56007	1.1
55.01877	5.9
57.03440	5.9
58.00607	1.4
59.01372	25.6
69.03436	1.5
69.48753	8.0
71.01372	100.0
73.02937	32.9
75.00857	2.5
81.03436	1.2
83.01374	12.2
85.02942	46.5
86.03278	1.6
87.00849	3.7
89.02441	10.1
92.94971	1.1
94.77271	1.0
95.01367	7.5
97.02934	2.9
99.00883	11.6
101.02431	52.9
102.02767	1.4
113.02433	41.7
114.02747	1.7
115.11340	1.0
117.03443	2.7
118.03809	1.8
119.03468	2.6
122.56978	1.2
125.02445	1.5
129.01900	1.9
131.03542	1.5
133.02969	1.7
135.04575	1.9
143.03481	4.5
145.02937	11.2
146.03262	3.8
159.02982	10.3
161.02536	6.4
161.04535	46.4
162.04861	1.5
173.04510	1.4
179.14377	13.1
180.14777	1.5
223.13394	3.7
238.68156	1.3
266.10281	1.8
384.61557	1.2
385.18658	31.0
386.18881	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	385.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.50965	0.4
57.03436	3.0
58.00591	2.4
59.01371	59.3
60.01693	0.7
61.22367	0.4
61.98519	0.3
61.98819	1.5
69.03447	0.5
69.71400	0.4
71.01373	62.5
71.61079	0.3
71.61492	0.5
72.01725	1.2
72.99289	2.9
73.02937	11.2
75.00886	0.6
82.09354	0.4
83.01373	5.6
83.05015	0.5
84.02165	0.5
85.02943	20.5
86.03307	0.7
87.00861	2.2
89.02433	32.2
95.01380	3.7
95.05013	1.6
97.02942	6.1
97.06568	0.8
99.00867	5.4
101.02431	31.8
102.02718	0.7
102.74939	0.4
105.07057	0.9
107.05047	0.7
108.05797	2.9
109.02909	1.0
109.06606	1.3
111.00875	0.4
111.04512	1.1
111.08163	0.6
113.02435	24.1
113.06071	3.5
114.01995	0.4
114.02757	1.0
117.76892	0.3
119.03480	10.7
121.06537	0.8
121.29491	0.4
122.03721	2.0
123.08154	4.6
125.02441	1.1
125.06074	3.5
129.01915	0.7
131.03487	1.6
134.03787	0.6
135.04501	0.8
135.08133	1.0
136.05275	3.5
137.02441	0.4
137.06088	1.7
137.09735	0.4
138.06850	21.6
139.07663	8.9
140.08057	0.6
143.03485	2.9
148.66536	0.4
149.04561	0.5
149.06042	0.8
151.07631	22.9
152.03603	0.6
152.04831	2.4
152.06633	0.6
152.08412	40.7
153.09192	100.0
154.09525	5.6
159.02989	4.5
161.04535	18.4
161.09735	1.2
162.04869	1.0
163.11279	3.5
165.05537	0.5
165.09180	2.9
167.07135	1.5
173.04483	0.5
178.05016	0.4
179.03453	1.5
179.05554	2.8
179.10619	0.4
187.11275	0.8
189.09187	1.1
190.09955	1.9
191.05629	0.4
193.04999	1.0
201.56583	0.4
203.12799	0.8
205.12302	32.0
206.12624	2.8
223.13344	18.1
224.13638	1.6
225.11295	5.7
281.10519	0.5
281.58023	0.4
304.06909	0.9
372.83499	0.4
385.14215	0.7
385.18665	8.8
386.18738	1.2
404.42587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55177	0.4
61.98822	100.0
69.81590	2.1
81.30226	0.4
98.20598	0.8
113.55835	0.4
128.10770	0.5
130.08742	3.9
159.60519	0.4
189.01419	0.4
212.16418	0.4
311.98947	0.4
322.20276	2.4
355.68744	0.4
380.59250	0.4
380.64246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
59.80013	0.7
60.01713	1.8
61.98839	0.8
69.28485	2.6
69.28912	4.1
81.84101	0.8
115.07660	2.0
130.70097	0.7
182.63095	0.7
223.47005	0.7
343.14764	1.7
344.99805	0.8
385.15744	1.9
385.29645	1.0
386.23837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04775	1.3
53.45192	1.5
58.84644	1.4
59.01374	7.4
61.98821	100.0
71.09088	3.0
77.95672	1.4
113.82655	1.6
137.26308	1.8
159.22017	1.6
352.04922	1.8
357.65411	1.5
365.22018	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	386.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94170	0.4
59.01374	4.3
60.04523	1.6
61.98830	6.8
69.60256	1.8
69.60667	1.0
71.01379	0.4
76.34216	0.4
84.00875	0.4
86.02477	0.4
92.05061	0.6
101.02401	0.7
103.05523	0.7
105.07085	1.6
108.04552	2.0
108.91979	0.4
118.06620	2.3
119.04995	1.7
120.04380	0.5
121.06590	0.6
123.78326	0.4
124.04054	0.7
130.04224	0.5
130.06601	0.7
131.04994	2.0
132.08171	4.8
133.06581	3.1
134.06067	2.3
137.06042	0.7
138.05563	1.3
144.04518	1.3
144.06680	0.4
144.08138	0.8
145.05327	3.4
146.03752	0.7
146.06143	2.1
147.04509	1.3
148.03993	1.1
148.05261	0.5
151.07597	1.1
158.06065	0.8
160.07661	19.6
161.06055	8.6
161.07993	1.2
162.05586	5.8
162.06786	0.7
162.09195	1.1
163.06264	0.9
163.07619	6.7
164.08023	0.5
165.09230	0.6
172.07639	1.2
176.07207	0.8
177.05547	0.9
177.07918	1.8
178.08691	7.4
179.08797	0.4
179.30875	0.4
190.08708	12.1
191.09108	0.9
192.06630	0.7
192.10286	15.4
193.10612	0.6
195.05363	0.6
204.06595	0.8
204.10385	0.5
222.11314	8.2
223.11720	0.6
234.07661	0.7
266.10284	100.0
267.10629	7.7
386.16046	2.2
387.14453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08619	0.5
59.01375	3.2
61.98822	100.0
71.35762	0.5
71.43045	0.5
71.62470	0.6
84.04474	0.5
84.31198	0.5
100.13189	0.5
194.01523	0.6
206.26135	0.6
209.11847	0.8
305.17603	0.7
324.52469	0.6
387.14655	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	387.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81828	0.3
59.01373	7.5
59.77990	0.3
70.66997	0.4
71.01374	3.9
72.99313	0.5
75.00878	1.0
78.95899	0.4
83.01377	0.5
85.02946	2.5
87.00854	0.6
89.02428	2.7
90.14045	0.3
93.03447	44.1
94.03778	1.3
95.01367	0.8
95.04981	0.5
98.19904	0.9
99.00896	0.9
101.02436	1.3
111.82550	0.4
113.02447	2.9
116.15430	0.3
119.03533	0.8
123.08173	0.5
127.00391	0.3
128.03549	0.5
130.08711	1.3
133.10229	0.8
137.02426	100.0
138.02771	4.1
145.10213	1.7
158.92264	0.3
161.02571	0.4
163.11223	1.3
170.29823	0.4
173.04533	0.8
191.05522	1.0
225.11267	1.6
229.20895	0.4
249.06128	17.9
250.06400	1.0
267.07092	0.5
270.62576	0.4
387.09250	4.7
387.16489	1.7
388.09647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.108
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
58.58974	0.5
59.01370	1.4
65.00300	1.4
69.29668	5.7
71.01366	0.7
85.02901	0.6
91.01880	5.2
96.99301	4.6
100.14974	0.5
108.02146	1.7
109.02934	5.7
111.68311	0.6
117.03428	2.1
121.02926	1.3
123.04516	8.6
124.01678	0.9
133.02945	1.3
133.92528	0.5
134.03723	28.5
135.04070	0.9
137.02400	0.8
139.03925	0.7
145.02924	3.6
146.03723	10.7
147.04498	4.4
148.01640	1.8
148.05180	1.3
149.06036	2.5
150.03258	0.6
153.05563	1.2
158.03711	7.9
159.04501	16.1
160.01703	1.1
160.04987	0.8
161.06015	5.0
163.03966	3.4
173.06009	5.1
174.03204	0.6
175.03989	1.8
178.02695	2.4
186.03357	0.6
187.04002	1.2
193.05032	8.3
211.07611	1.0
239.07045	1.5
241.05080	1.3
249.05438	0.9
250.06355	0.8
256.07492	0.9
265.08438	0.9
266.05835	5.4
267.06570	5.3
268.07260	3.2
269.08109	1.3
271.09644	1.5
277.05267	0.7
278.05713	1.0
278.81827	0.5
280.07376	1.2
281.08130	12.7
282.08783	5.6
283.09613	3.6
284.10504	2.6
294.05234	0.8
295.06085	11.5
295.09500	1.1
296.06558	1.0
309.07660	2.0
310.08432	8.7
325.10764	8.1
337.07404	0.7
343.11722	1.1
354.07367	1.9
369.09784	5.5
370.10129	0.7
387.10788	100.0
388.11148	10.4
388.84427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1082
Annotation	Cimiracemate D
Peak:m/z	Relative Intensity
59.01379	4.0
67.33163	0.7
71.01370	2.6
72.99307	1.5
78.95911	1.1
85.02967	1.5
85.35828	0.6
89.02457	1.1
89.03964	2.6
93.03468	1.4
99.13676	0.7
101.02455	2.1
109.02972	3.6
113.02411	1.4
117.03452	9.1
121.02961	3.0
122.99251	1.3
133.03003	1.1
134.03732	100.0
135.03972	3.9
137.02463	1.9
139.04073	0.9
146.03711	1.7
147.04501	7.5
148.05295	2.5
149.02478	0.7
149.06079	10.3
159.04491	2.1
161.02455	1.2
161.06119	1.4
162.06877	0.9
173.04547	2.6
178.02676	7.2
179.03461	1.0
189.04066	0.8
193.05046	58.1
194.05435	4.1
200.26311	0.7
215.09254	0.8
217.79932	0.7
221.09712	1.7
268.07367	2.7
269.07925	1.6
271.09753	0.7
281.08578	0.8
283.09619	4.2
284.10471	2.7
299.12900	1.7
310.08582	0.9
315.91733	0.8
324.56955	1.3
327.08649	1.8
343.11829	22.5
344.12158	2.2
345.09912	0.9
346.51605	0.8
387.10800	47.7
387.14957	1.8
388.11072	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	387.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77460	0.9
57.91374	0.9
59.01370	4.1
61.98819	3.3
66.50311	1.2
69.34046	3.9
69.34471	5.1
71.01363	2.4
72.77014	0.9
72.97523	2.8
73.02941	1.2
75.70852	1.0
82.02990	1.0
87.13537	1.1
89.02415	1.9
96.95986	4.6
98.20573	2.1
101.02405	1.1
108.04547	4.7
109.02905	1.0
110.84959	1.2
113.02431	1.6
118.67717	1.1
119.05019	2.4
121.02975	1.4
122.06112	3.9
122.98244	1.0
132.04527	2.3
134.03752	1.5
135.04445	1.3
136.01619	1.9
137.02464	1.4
145.05287	1.1
149.06071	1.1
151.04012	2.2
160.04019	16.3
161.04489	1.4
162.03273	1.2
162.05534	1.5
163.04031	1.6
166.02711	1.7
175.02742	1.7
186.01920	1.9
188.03494	10.5
190.05103	1.7
193.05055	1.0
204.02977	5.8
210.05547	1.2
211.08821	2.0
211.12305	1.4
218.04517	13.1
224.09351	1.5
239.11874	4.0
240.05305	1.9
240.10291	2.1
241.06180	1.6
243.11234	1.8
251.08293	1.9
252.08961	4.0
253.05974	1.9
254.06795	1.2
255.07710	3.5
267.08084	1.9
267.11328	13.2
268.09717	3.2
269.09314	4.9
281.05661	11.0
282.06332	2.0
283.07193	1.4
283.10828	4.9
294.07059	1.1
295.07196	4.3
296.08090	5.1
300.02667	1.1
309.08746	3.4
311.10330	100.0
312.10577	8.8
337.08331	10.1
343.12659	3.1
355.09293	41.0
356.09595	3.9
372.11993	3.3
387.11780	11.2
387.15436	2.4
388.11996	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01375	3.2
59.32769	0.5
61.98823	0.8
64.40755	0.6
67.01886	4.6
69.03455	9.1
69.38424	1.4
69.38837	3.2
71.01378	4.5
81.02964	0.5
81.03467	1.1
83.05031	1.7
85.02944	2.2
89.02436	2.3
92.45038	0.5
93.03447	23.8
94.03798	0.9
99.04513	4.7
101.02446	1.0
108.20864	0.6
109.02939	1.0
111.00849	0.8
111.04502	5.8
113.02440	12.4
125.09672	2.9
127.03983	0.8
129.17630	0.6
137.02417	4.2
149.02420	1.9
153.94576	0.5
155.03461	4.3
164.04767	2.1
169.08670	4.8
169.98254	0.5
173.04526	100.0
174.04875	4.2
190.02696	1.6
191.05551	3.3
205.05067	1.6
213.07655	6.4
221.20361	0.6
221.30293	0.6
223.06056	4.6
224.06433	0.6
273.09723	4.5
297.09845	0.8
387.12805	8.8
388.13477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01375	3.2
59.32769	0.5
61.98823	0.8
64.40755	0.6
67.01886	4.6
69.03455	9.1
69.38424	1.4
69.38837	3.2
71.01378	4.5
81.02964	0.5
81.03467	1.1
83.05031	1.7
85.02944	2.2
89.02436	2.3
92.45038	0.5
93.03447	23.8
94.03798	0.9
99.04513	4.7
101.02446	1.0
108.20864	0.6
109.02939	1.0
111.00849	0.8
111.04502	5.8
113.02440	12.4
125.09672	2.9
127.03983	0.8
129.17630	0.6
137.02417	4.2
149.02420	1.9
153.94576	0.5
155.03461	4.3
164.04767	2.1
169.08670	4.8
169.98254	0.5
173.04526	100.0
174.04875	4.2
190.02696	1.6
191.05551	3.3
205.05067	1.6
213.07655	6.4
221.20361	0.6
221.30293	0.6
223.06056	4.6
224.06433	0.6
273.09723	4.5
297.09845	0.8
387.12805	8.8
388.13477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56256	0.2
59.01376	0.6
67.01884	0.3
67.40876	0.2
68.99809	0.4
69.03455	0.5
71.01377	0.7
81.03471	0.2
84.02157	0.5
85.02949	0.8
85.17191	0.2
86.66319	0.2
89.02464	0.2
93.03455	1.3
95.01398	1.4
95.05002	0.3
101.26208	0.2
107.05000	0.5
108.02162	2.0
109.02943	3.8
111.00895	0.5
121.02950	6.0
121.06563	0.3
122.03748	1.7
123.00863	3.8
123.04526	1.2
124.01653	1.0
125.02432	1.6
129.19510	0.2
130.46460	0.3
131.05057	0.3
133.02931	0.4
134.03726	1.0
135.04533	0.6
136.01645	74.1
137.02457	17.4
138.02861	0.3
139.00352	0.6
139.04002	0.7
147.04503	0.5
149.02472	1.6
149.06061	0.8
150.03203	0.4
151.00374	17.4
151.03989	100.0
152.01158	1.6
152.04370	4.4
153.01872	0.4
154.02647	0.7
159.04486	1.3
160.05293	1.4
161.02426	1.0
161.04538	0.3
161.05939	0.3
162.03174	1.6
163.04034	1.4
164.04771	0.8
165.01910	1.0
166.02695	43.2
167.03336	3.2
173.02454	0.3
173.06027	0.3
174.03203	0.3
175.03995	1.9
175.07582	1.6
176.04710	0.4
177.01904	3.4
177.05548	2.0
178.02679	0.3
179.03479	0.9
181.05042	64.6
182.05362	3.3
184.03667	1.1
187.03984	0.9
188.04741	0.8
189.05562	1.0
190.02728	0.6
190.06322	1.0
191.03459	0.8
192.04294	0.8
193.05000	1.1
195.02968	1.0
203.03494	0.7
203.07025	0.5
204.04327	0.3
205.05040	1.5
205.08690	1.6
206.05746	0.2
207.06627	0.8
209.04500	0.4
217.05093	0.5
218.05843	0.3
219.06671	0.8
233.08081	0.4
236.07141	0.2
238.06493	0.2
252.77060	0.2
257.07520	0.2
266.05856	0.3
271.06070	0.5
284.06799	0.5
286.08502	0.5
299.09357	0.7
299.72964	0.3
311.08932	0.4
326.11478	0.5
327.08618	0.7
329.10303	3.5
339.08505	0.4
341.13913	1.9
357.09741	20.9
358.10074	2.2
360.62338	0.2
372.12085	14.6
373.12534	1.6
373.67535	0.3
387.14444	51.2
388.14804	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	387.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08554	1.4
59.01370	9.6
61.98808	6.5
62.53293	1.4
69.38982	12.7
72.99291	1.6
76.47313	1.4
113.99557	18.6
149.18486	1.4
156.00587	3.8
174.01668	100.0
175.02022	2.4
201.16478	1.7
247.16898	3.1
291.15961	47.4
292.16223	7.0
347.85571	1.8
351.17978	11.1
375.69281	1.6
387.15759	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	10.9
61.98835	5.0
69.54631	12.9
71.01386	2.7
71.05011	1.9
72.99306	3.4
86.00081	2.9
93.03458	2.2
113.99578	19.4
116.05021	2.2
117.05333	2.0
131.63849	1.7
156.00731	4.3
174.01669	100.0
175.02066	3.5
233.15634	2.1
235.17084	2.3
247.16896	4.2
272.99799	1.9
291.15997	51.8
292.16333	4.3
305.17529	2.9
327.15768	9.5
351.18134	14.0
372.12192	2.0
387.15405	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	387.1656
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.16146	0.7
55.01861	0.9
57.03432	1.5
58.00587	1.9
59.01372	55.6
64.11000	0.6
68.99771	0.8
69.03446	1.0
69.25042	4.5
69.25467	3.0
71.01372	16.3
71.05017	0.8
72.99285	1.4
73.02942	7.2
75.00863	7.7
75.15742	0.7
77.62062	0.7
81.03436	1.5
83.01377	2.2
83.05023	0.9
85.02937	7.4
86.03728	1.3
87.00868	1.7
87.04497	4.1
89.02438	5.3
93.03452	1.0
95.01366	1.4
95.05009	1.5
97.02903	1.9
99.00857	2.9
99.04493	5.4
101.02430	12.0
107.95995	0.7
111.04468	0.8
113.02416	4.0
115.00413	0.9
119.03482	1.4
123.05614	1.2
125.02448	2.2
128.12006	0.7
134.77213	0.8
135.04486	1.7
142.99760	0.8
143.03459	2.9
147.04495	2.8
151.03970	0.9
159.02917	0.7
161.02370	1.2
161.04517	8.7
163.04016	1.0
163.11263	7.2
167.04672	0.8
173.04552	2.0
175.02379	1.3
177.12799	1.3
179.03395	1.2
179.03957	1.2
179.05582	13.6
181.12312	26.4
181.13907	1.4
182.12585	1.2
193.12300	0.9
195.13866	8.1
207.10275	4.1
223.13361	2.9
225.11278	100.0
226.11661	7.3
231.48814	0.9
239.12823	4.2
267.12341	18.3
268.12674	1.0
279.12555	1.0
297.13428	3.0
304.09305	0.8
312.09952	2.2
319.57739	0.8
327.14697	17.1
327.18188	1.2
328.14780	2.1
337.74347	0.7
345.19006	3.6
357.13174	0.9
369.15109	0.8
385.60834	0.8
387.11313	1.3
387.16547	23.0
388.16873	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1655
Annotation	Trp Pro Ser
Peak:m/z	Relative Intensity
50.65989	0.6
58.00599	1.1
59.01374	75.3
60.01715	1.0
61.44174	0.5
63.99093	0.5
69.88325	2.1
69.88739	0.9
71.01378	14.6
72.99289	0.6
73.02927	0.8
83.01365	1.4
85.02946	2.7
89.02430	16.3
91.20389	0.5
93.03513	0.7
95.01372	1.1
98.20525	0.9
101.02436	10.0
113.02419	3.7
119.03494	5.6
128.81694	0.5
131.03423	0.7
149.02414	1.2
163.11284	5.6
164.04694	0.9
173.02631	0.5
173.04504	1.7
179.05591	0.6
199.71394	0.6
207.10231	12.4
208.10603	0.9
223.06128	2.5
387.16559	100.0
388.16916	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	387.1654
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
58.47018	1.5
59.01373	12.7
64.89006	1.4
70.99538	2.5
70.99869	1.7
71.01395	7.8
73.02926	4.4
75.00853	6.5
78.27491	1.7
81.03474	2.0
85.02946	3.2
86.16774	1.9
87.00870	4.3
89.02414	5.3
95.01375	1.9
95.34143	1.6
99.00850	1.9
99.04535	1.6
101.02429	4.8
102.08620	1.5
103.04041	1.4
104.06691	1.5
111.00875	2.6
113.02413	5.1
134.03799	1.6
135.04482	5.9
135.11760	1.8
161.02353	3.6
161.04486	5.7
163.11255	5.2
165.63304	1.4
179.03471	9.3
179.05656	7.9
179.10750	9.8
181.07130	3.1
181.10783	3.1
181.12314	49.1
182.12608	4.9
198.45847	1.8
207.10205	2.3
225.11287	100.0
226.11638	5.7
249.11235	2.7
250.31596	1.6
265.79956	1.5
311.09793	1.6
318.24765	1.7
372.09296	2.7
387.16699	8.4
410.47424	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
58.00602	0.2
59.01372	1.8
60.99285	0.5
65.03961	0.2
67.01884	4.7
69.03447	0.8
69.42693	0.8
69.43116	0.5
71.01378	3.2
73.02937	0.2
81.03455	0.9
83.01368	0.2
83.05010	1.0
83.35579	0.2
85.02943	0.5
85.43095	0.2
87.00869	0.3
93.03449	26.8
94.03797	0.8
99.00873	0.2
99.04523	0.2
109.02924	1.0
111.00851	1.1
111.04514	4.8
113.02428	0.4
119.66322	0.2
127.04001	0.5
137.02435	5.9
155.03493	5.3
156.03690	0.2
173.04536	100.0
174.04880	3.9
183.13895	4.1
184.14211	0.4
184.64857	0.2
191.05656	0.3
195.13895	3.4
196.14171	0.3
211.13657	0.2
213.14938	24.1
214.15265	1.9
225.11162	0.3
276.99063	0.2
375.82291	0.2
387.20193	13.2
388.20615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03430	0.9
59.01092	0.8
59.01371	12.1
60.99297	0.6
65.14074	0.6
65.36716	0.5
65.46555	0.6
67.01880	4.8
69.03424	0.9
69.37157	4.8
71.01374	9.2
71.05004	0.6
72.99303	1.3
73.02935	4.1
75.00860	4.6
76.22705	0.6
81.03447	1.9
83.01395	1.1
83.05025	1.3
85.02941	3.3
87.00867	1.2
87.04469	0.7
89.02438	1.2
93.03445	27.2
94.03760	0.7
97.02911	0.6
99.00851	2.0
99.04498	1.4
101.02435	3.6
111.00839	0.9
111.04499	5.1
113.02433	2.8
115.00369	0.7
125.02455	0.8
137.02420	4.7
143.03444	1.3
147.04562	1.2
155.03488	5.3
161.04607	3.5
161.05656	0.6
163.11220	0.9
167.14342	0.8
173.04518	100.0
174.04869	3.8
175.02477	0.7
179.05580	9.1
181.12332	3.4
183.13853	3.8
195.13863	4.4
201.98743	0.5
203.36639	0.5
203.93658	0.5
207.10120	0.6
209.11803	1.5
213.14920	24.2
214.15314	2.3
225.11282	13.7
226.11639	1.0
239.12914	0.7
245.04636	1.0
267.12445	0.7
268.27493	0.6
312.09958	1.1
327.14862	0.8
357.13440	1.0
372.11996	1.0
387.16165	5.6
387.20297	15.5
388.20636	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	387.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52161	0.3
54.06424	0.3
54.52703	0.4
59.01372	8.1
61.98807	0.4
69.03452	0.4
69.65090	1.1
69.65504	1.2
71.01365	2.4
73.02937	0.5
81.03475	0.7
83.01406	0.4
83.05013	1.4
85.02931	2.5
87.00870	2.1
89.02458	0.6
93.03442	3.8
95.05023	0.5
98.20570	0.8
101.02423	0.7
109.02934	0.4
111.04510	2.5
111.08147	1.7
113.02420	0.8
113.09713	100.0
114.10034	4.1
115.00347	1.6
127.03979	1.2
130.28728	0.4
137.02423	1.9
143.15501	0.4
155.03517	3.6
155.10730	0.6
165.09250	0.4
169.15924	0.4
173.04532	10.6
173.06001	0.7
175.02467	1.5
179.03520	0.5
182.45076	0.4
191.05595	31.1
191.52747	0.4
192.05968	1.5
199.09775	0.6
213.14931	36.2
214.15256	2.7
223.13364	2.0
225.11136	0.5
238.61633	0.4
287.15021	0.6
372.12119	2.3
387.14584	2.3
387.20209	7.5
388.20520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66473	0.2
57.03437	1.0
59.01088	0.4
59.01374	5.3
60.99280	0.4
61.98822	0.3
65.55441	0.2
67.01878	3.6
69.03442	0.8
69.41779	0.7
69.42189	1.3
71.01371	3.4
71.48254	0.2
72.99302	0.3
73.00206	0.2
73.02948	0.4
81.03427	0.7
83.05018	1.2
85.02944	1.3
87.00856	0.4
89.02456	0.5
93.03446	23.7
93.26539	0.2
94.03769	0.7
97.60663	0.2
101.02423	0.7
104.75370	0.3
109.02960	0.8
111.00871	0.9
111.04515	4.4
111.08153	0.4
113.02399	0.8
113.09715	19.1
114.10055	0.9
127.04001	0.5
137.02426	4.8
137.06039	0.4
155.03488	4.1
167.08060	0.3
173.04523	100.0
174.04883	4.0
179.03517	0.3
181.75241	0.3
191.05583	6.3
213.14926	5.9
225.14853	0.6
268.11807	2.0
285.20737	0.4
315.21893	0.5
323.22095	0.6
325.23758	2.2
326.24213	0.4
343.24829	1.3
351.21786	0.8
369.22739	2.1
387.20020	5.9
387.23972	10.2
388.19989	0.6
388.24655	1.2
400.08163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01291	29.8
59.01368	91.4
59.92171	28.4
61.98813	35.5
64.87851	32.0
70.52082	100.0
72.60532	29.5
73.73759	26.1
92.45052	31.9
98.19978	43.1
113.18973	31.8
118.56308	29.3
161.16208	33.6
227.00644	31.9
241.43633	30.0
243.00659	27.7
249.41920	35.2
257.05057	31.5
273.98105	29.8
376.72943	33.8
383.41757	39.5
387.14859	31.9
394.20416	37.8
413.18335	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	387.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00251	40.2
59.01376	100.0
65.27351	39.4
69.72015	41.4
70.94744	93.2
92.77931	47.0
111.95895	39.1
117.88285	38.6
125.94585	46.3
133.63026	39.5
142.13701	38.0
187.15553	40.8
357.65994	41.8
400.75269	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61133	0.5
57.37499	0.6
59.01374	100.0
60.01720	0.6
61.98829	1.4
65.07010	0.6
71.17891	1.3
77.43015	0.7
86.46440	0.5
123.50565	0.6
178.19978	0.7
181.68173	0.6
297.04666	1.2
299.83292	0.7
336.34818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07568	1.3
59.01374	100.0
61.98824	2.1
71.61857	2.3
93.88869	1.4
113.06546	1.3
134.58932	1.4
137.02463	1.3
140.87640	1.3
172.90526	1.3
198.57095	1.2
246.70937	1.3
387.25436	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	387.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27145	1.7
59.01374	100.0
61.98809	8.1
67.71672	1.8
68.28254	1.6
71.19743	1.6
71.62175	2.1
76.94592	1.5
90.25426	1.8
118.96037	1.7
130.74774	1.7
141.01683	3.8
189.63344	1.8
239.59781	1.6
253.21584	9.0
278.06778	1.7
367.01935	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	388.1394
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
59.01373	0.9
62.36736	0.3
66.03475	0.6
69.49933	1.0
69.50356	1.3
71.84277	0.3
73.01463	0.3
78.94173	0.3
96.14317	0.3
98.19785	0.5
116.05038	2.4
118.06608	15.0
119.06969	0.9
120.08168	0.6
122.37486	0.3
130.06660	0.6
131.18257	0.3
132.08200	1.2
135.04541	0.4
144.04526	5.9
145.04922	0.3
146.06105	0.7
146.71089	0.3
148.07674	4.0
150.09239	1.2
158.06108	1.0
160.04025	2.6
161.04771	1.9
162.05565	0.3
173.04561	0.5
174.05632	0.9
176.07137	80.6
177.07497	4.4
178.08710	0.8
180.06596	0.5
188.03532	0.4
193.03760	0.8
194.08180	1.1
208.09747	100.0
209.10114	5.6
220.06108	3.3
272.19214	0.3
297.88474	0.3
373.12424	0.6
388.14728	1.3
389.22144	0.3
410.70084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.5
61.98821	100.0
66.05352	0.4
81.06485	0.4
119.04965	0.5
121.02965	0.4
173.04572	0.7
192.94624	0.3
204.26866	0.4
388.74481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1084
Annotation	Epikingisidic acid
Peak:m/z	Relative Intensity
50.75249	2.0
51.76214	1.7
58.00571	2.8
59.01372	100.0
61.98819	4.6
69.03446	90.9
69.35971	9.0
69.36395	7.7
70.03771	2.0
71.01379	30.6
72.99299	3.2
81.58305	1.8
83.01395	2.2
85.02935	5.7
87.00859	2.4
89.02437	46.8
89.37991	1.6
95.01389	4.0
95.05025	22.4
98.19852	4.3
101.02427	25.8
106.04237	6.1
110.89248	1.7
113.02431	16.8
119.03494	23.4
121.02972	8.0
121.06577	51.8
122.06942	1.7
123.04496	6.0
124.63401	1.9
137.27734	1.7
139.00342	7.6
139.07669	11.7
160.69093	1.9
165.05537	25.7
179.05476	5.3
183.06596	11.8
209.04504	16.7
331.40112	2.0
345.11902	22.6
389.10818	49.1
390.11102	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	89.6
59.66267	1.7
59.96275	1.6
61.98809	4.1
69.03448	100.0
70.03754	2.9
70.17300	3.5
70.17707	4.8
71.01372	28.9
73.79643	1.7
83.01390	2.0
85.02943	5.2
86.84080	1.7
89.02435	25.4
92.27054	1.9
95.05006	23.5
96.05342	1.7
98.20052	4.5
101.02419	16.0
103.01353	1.8
106.04214	6.5
111.00872	2.2
113.02438	13.9
119.03477	16.2
121.02909	6.3
121.06577	37.7
123.04507	3.6
127.53465	1.8
139.00330	8.0
139.03969	2.7
139.07675	2.9
165.05540	19.2
179.05557	3.2
183.06609	14.9
209.04506	9.7
244.07045	1.8
250.04088	2.2
345.11853	21.7
346.11966	3.1
389.10785	43.8
390.11227	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	389.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	4.5
59.93973	1.8
68.65276	1.9
69.54056	4.3
69.54459	7.7
71.01362	3.6
72.99305	4.4
75.00857	36.2
81.03462	3.0
82.74044	1.7
87.00850	2.6
89.02377	1.9
98.20577	4.6
108.04455	2.2
110.39735	2.0
117.21238	2.0
143.03511	2.4
149.04489	3.3
161.04504	4.5
179.05583	100.0
180.05853	4.1
189.56990	2.0
326.98563	2.2
346.59067	2.2
368.03726	2.1
406.29529	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18702	1.1
57.03441	1.6
59.01373	26.6
61.98826	1.4
67.01886	4.2
69.03457	9.6
71.01373	10.1
71.05007	1.3
71.19862	1.0
73.02956	1.9
81.03425	1.5
85.02937	8.7
87.00859	3.0
89.02418	8.9
93.02853	1.7
93.03445	33.2
94.03786	1.1
95.05035	2.3
99.04499	8.3
101.02455	5.7
109.02982	2.1
111.04496	7.3
113.02457	4.6
115.03996	4.5
119.03479	4.1
121.02958	1.6
121.06568	3.4
123.04447	1.5
125.02505	1.4
127.03982	4.3
127.44633	1.1
134.03697	6.5
137.02422	4.4
149.02448	3.1
149.06088	1.9
150.03194	5.1
153.09209	8.7
155.03468	5.3
161.02437	1.9
165.05528	7.6
171.10211	2.0
173.04526	100.0
174.04901	4.9
178.02689	1.1
179.03496	2.2
182.73143	1.2
183.10283	2.3
191.05582	51.9
192.05887	1.8
193.05055	5.6
195.06564	3.1
197.08151	1.8
209.04509	1.3
209.33949	1.1
215.09258	7.4
215.12816	8.4
217.84964	1.2
273.09811	3.2
306.28769	1.1
329.12418	5.4
361.63364	1.4
371.13391	2.6
389.14560	20.4
389.18680	2.0
390.15027	2.7
403.63647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22322	0.5
57.03434	0.7
59.01371	11.0
60.99294	0.9
61.95001	0.6
61.98837	0.9
67.01884	4.9
69.03460	2.9
69.51588	1.2
69.51991	3.4
71.01385	3.9
71.05009	1.3
73.02940	1.1
81.03453	1.7
83.05002	1.4
85.02949	8.3
87.00864	1.9
89.02464	1.2
93.03450	30.3
94.03795	0.9
95.01416	0.8
95.04981	0.6
98.19872	1.3
99.04512	8.2
101.02433	0.8
101.06063	0.7
107.08674	0.6
109.02918	1.0
111.00870	1.4
111.04502	6.3
113.02436	1.2
115.04016	5.4
120.99703	0.6
121.02941	0.6
127.04024	3.4
134.03745	2.6
137.02446	5.4
149.02419	1.6
150.03221	4.3
153.09203	9.2
155.03481	3.9
165.05563	4.6
171.10257	1.7
173.04523	100.0
174.04866	4.1
178.02704	1.5
183.10213	1.3
191.05589	49.7
192.05939	2.0
193.04970	3.6
195.06584	1.4
195.97452	0.6
197.08150	1.8
201.11427	0.7
214.96281	0.7
215.09207	6.5
215.12842	2.5
241.41830	0.7
273.09714	3.8
341.10260	0.8
371.13422	2.4
389.09470	1.1
389.14407	19.8
390.14725	2.9
410.22916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1812
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01365	3.1
71.01373	1.9
71.06042	1.6
71.06379	1.1
71.60136	1.0
73.02929	2.0
85.02929	1.0
89.79072	1.1
95.05023	1.3
101.02396	1.1
114.38733	0.9
133.02930	1.4
134.66496	1.1
135.04504	2.4
139.00391	1.3
153.01865	1.2
154.02219	1.3
161.02377	2.6
163.11244	3.0
179.03551	1.4
181.12317	23.5
182.12682	1.9
195.49765	1.0
207.10251	1.0
221.24022	1.0
225.11285	100.0
226.11617	9.3
227.11964	4.1
311.59692	3.5
312.09875	1.7
389.18121	42.5
390.18442	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	389.1813
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03431	4.1
59.01374	57.4
60.01712	1.5
61.98817	1.6
63.09139	1.0
69.03429	1.5
69.82247	2.9
69.82642	2.4
71.01378	30.0
71.05006	1.5
72.99280	1.2
73.02938	9.6
78.95878	2.2
83.01378	6.0
85.02940	12.3
87.00845	2.4
89.02441	20.4
89.09151	1.1
93.03416	2.9
95.01359	2.6
97.02971	1.4
99.00850	3.6
101.02432	45.7
104.03526	2.1
109.02924	1.5
111.00878	1.7
113.02425	11.9
119.03498	7.8
127.00359	1.5
129.09122	1.1
133.02917	2.7
135.04482	2.5
137.02454	1.4
143.03456	1.5
147.11772	4.1
152.99596	2.1
153.09235	6.4
157.01436	1.4
159.02983	1.2
161.02455	6.2
161.04552	3.1
162.02798	1.2
165.12804	1.3
173.04500	10.6
179.03452	3.1
179.05627	1.3
191.10657	1.0
195.07880	1.2
195.70001	1.3
197.08136	2.9
209.11809	6.8
215.12801	1.5
227.06671	1.2
228.61618	1.1
229.14398	1.5
257.07666	2.6
291.06525	3.4
298.52237	1.1
333.75967	1.1
341.10028	1.1
345.19028	1.5
371.17099	4.5
388.60001	2.0
389.18085	100.0
390.18481	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	389.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
55.57607	0.6
57.03447	0.7
58.00579	0.9
59.01374	56.7
60.01702	0.8
61.98818	1.3
69.03444	1.4
71.01372	16.8
71.52236	0.8
71.52566	0.7
72.99290	2.0
73.02943	2.8
83.01386	1.6
85.02939	7.5
87.00884	1.0
89.02435	11.1
93.03432	1.1
95.01373	1.7
99.00854	1.7
101.02435	12.8
111.00880	0.6
113.02444	7.2
119.03478	3.9
123.08201	0.6
124.01704	0.6
133.02928	1.6
134.03708	1.7
135.04509	2.4
137.02414	0.8
147.04523	0.8
147.11780	0.7
149.02457	1.0
149.04707	0.7
150.03169	2.2
161.02434	3.6
161.04539	1.0
165.04176	0.9
165.05551	2.9
165.12701	0.6
167.10728	0.7
173.04515	2.8
174.04916	0.6
179.03461	3.6
191.05592	2.7
191.10759	1.0
193.04984	1.6
195.06531	1.2
203.03552	0.9
209.11792	7.6
227.09149	0.8
227.12906	1.7
353.08798	0.6
359.09042	0.7
389.18109	100.0
390.18411	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	389.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
55.80774	0.5
57.03444	1.5
58.00604	1.0
59.01371	100.0
60.01716	0.9
69.03436	0.8
69.79501	3.1
71.01371	29.5
72.01711	0.7
72.99281	0.8
73.02934	9.5
75.00873	1.8
81.03449	0.8
82.03004	0.6
82.56695	0.7
83.01378	5.6
85.02941	13.7
85.03445	1.0
87.00881	1.8
87.04555	0.6
89.02439	10.5
94.38632	0.5
95.01364	3.0
97.02974	0.7
97.06586	0.7
98.19958	1.0
99.00854	3.3
101.02430	26.7
104.03549	0.9
108.97071	0.6
111.00874	1.2
113.02433	13.7
113.06088	1.8
119.03478	4.3
121.96459	0.5
124.05300	0.7
125.01579	0.5
125.02392	3.1
129.06697	1.3
131.03560	0.7
143.03474	4.0
150.03204	0.9
159.02982	2.0
161.04535	8.9
165.05565	0.8
169.08699	1.1
173.04507	0.7
179.05595	0.6
185.11838	4.3
193.05032	0.8
227.12845	5.7
245.14017	0.7
257.07828	1.0
270.09976	0.7
281.13934	1.6
291.06567	4.5
299.15265	0.8
329.15988	16.2
330.16470	1.8
347.17035	62.2
348.17273	5.2
371.17090	0.8
386.36963	0.6
389.08411	1.2
389.18109	13.1
390.18692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	94.2
61.98814	54.1
69.63415	100.0
69.63830	34.6
76.44646	18.5
86.16565	22.7
98.20600	41.4
110.86152	20.2
149.64246	23.0
159.85831	26.3
343.02420	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
61.98790	22.9
69.63712	72.5
75.90228	14.0
82.06314	12.3
121.68786	15.6
159.72446	17.0
181.67918	12.9
196.63416	16.1
293.60489	16.1
394.97211	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	389.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26611	0.9
59.01372	100.0
69.79272	2.3
69.79684	3.7
76.59286	1.2
82.26434	0.9
98.20121	3.7
105.38567	1.0
114.46522	1.1
129.68695	1.1
138.10623	1.1
154.02895	1.0
221.91270	1.1
243.54663	1.0
370.72104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
71.24150	2.2
130.41528	1.1
178.08299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43054	0.2
59.01375	2.7
61.98822	100.0
69.79764	0.7
69.80182	0.7
89.13116	0.3
101.02438	0.3
134.42877	0.3
135.04559	0.3
176.74310	0.3
197.11774	0.3
211.91003	0.2
226.44727	0.2
321.41507	0.3
327.21674	2.1
347.25775	0.3
347.45535	0.2
359.25845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07035	0.3
59.01370	2.8
61.98822	100.0
69.95589	0.4
70.36320	1.3
83.16315	0.3
87.99775	0.3
88.52769	0.4
101.02446	0.7
111.00906	0.5
125.39485	0.4
137.02449	0.4
145.97160	0.3
168.82419	0.3
197.46968	0.3
244.32040	0.4
292.62646	0.4
321.09985	0.5
327.21780	1.7
381.76508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07035	0.3
59.01370	2.8
61.98822	100.0
69.95589	0.4
70.36320	1.3
83.16315	0.3
87.99775	0.3
88.52769	0.4
101.02446	0.7
111.00906	0.5
125.39485	0.4
137.02449	0.4
145.97160	0.3
168.82419	0.3
197.46968	0.3
244.32040	0.4
292.62646	0.4
321.09985	0.5
327.21780	1.7
381.76508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14355	0.9
53.07556	0.9
59.01368	12.6
61.98821	100.0
71.31293	2.3
81.03442	1.0
83.05003	2.9
90.65648	1.0
103.85757	0.9
104.47232	0.9
110.56010	1.0
391.29022	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	390.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10408	0.6
57.63807	0.6
59.01369	9.4
61.98823	100.0
63.43162	0.5
67.01885	0.7
69.26997	0.5
69.27305	5.9
71.01363	0.5
73.02938	0.6
78.78061	0.6
81.03442	1.2
83.05032	0.5
85.02945	1.5
93.03467	2.1
96.95991	2.9
98.63519	0.5
99.04511	0.7
101.02431	1.1
104.41162	0.5
107.05017	1.3
109.02938	1.8
111.00851	0.8
111.04489	0.7
125.02546	0.7
127.04018	1.2
135.04521	1.8
137.02448	2.4
137.06070	0.8
149.06087	0.7
151.03998	1.7
169.01149	0.5
169.05049	1.5
179.03554	1.0
188.94640	0.6
195.06682	0.6
204.36021	0.6
211.06102	2.2
217.73491	0.6
238.09914	0.6
246.80446	0.6
253.07254	0.7
286.54153	0.6
291.08804	0.8
317.10269	0.7
346.66956	0.6
391.13837	1.5
391.18018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76267	1.4
53.58828	1.3
59.01374	88.9
68.99818	6.6
69.03448	16.4
69.53534	3.5
69.53938	8.3
71.01372	9.2
73.02929	1.3
77.03953	24.2
85.02945	3.7
89.02438	5.0
91.05515	2.4
93.03445	6.2
93.07087	8.7
95.01375	1.7
95.05019	59.8
96.96004	28.5
98.19927	2.7
101.02435	5.0
105.03436	1.6
107.05023	2.6
107.25761	1.6
109.02926	5.5
111.00878	2.6
113.02445	17.1
119.03572	3.0
119.05013	39.3
120.05323	2.2
121.02943	42.0
123.04520	28.6
133.02943	4.1
135.04523	9.4
137.02435	14.0
137.06073	100.0
138.06413	4.6
139.00336	4.7
139.03993	9.4
139.14549	1.5
149.02415	3.4
150.03181	8.1
151.03989	60.5
152.04311	3.0
161.02429	7.9
161.04503	6.1
163.03998	55.8
164.04323	2.0
165.01915	88.1
166.02209	3.1
176.52814	1.6
179.03447	4.7
179.05531	1.8
181.04904	1.9
183.10225	4.9
183.13884	2.4
207.02957	90.5
208.03326	6.4
221.06438	2.2
225.04024	60.5
226.04318	3.1
226.99617	1.3
227.12766	2.0
311.09625	3.5
331.17618	3.8
337.69247	1.4
359.07605	4.1
369.09158	1.5
390.62625	1.8
391.18341	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	391.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82420	1.2
55.14028	1.2
55.18832	1.4
59.01374	29.2
61.98841	1.7
69.03425	1.1
70.61028	2.3
71.01376	8.9
73.02950	3.0
75.00845	1.5
83.01347	1.3
85.02954	5.4
87.00847	1.3
88.98804	4.3
89.02434	4.3
97.02936	6.4
101.02408	5.4
110.00076	4.4
113.02432	6.2
115.03994	3.3
116.59061	1.1
119.03493	1.4
123.08128	2.2
125.02409	3.6
137.99574	4.8
139.00378	5.7
152.01111	1.6
153.01920	100.0
154.02687	8.7
155.03468	1.8
161.04541	9.7
166.02611	1.2
167.03468	11.6
168.04259	54.6
169.05038	19.6
173.04553	3.7
179.03519	2.3
191.05673	6.4
196.03818	1.3
209.04518	1.5
211.06029	5.0
217.10855	5.7
331.10294	43.2
332.10599	4.6
391.04373	1.8
391.11908	5.3
391.16269	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1397
Annotation	Massoniresinol
Peak:m/z	Relative Intensity
58.60273	0.7
58.61686	0.7
59.01373	97.4
60.01422	0.6
60.01715	1.1
61.98824	1.5
67.01883	83.4
68.02224	1.8
68.99812	12.6
69.03464	2.0
71.01381	8.4
73.02943	6.0
78.95886	1.0
83.01373	2.2
85.02933	3.1
89.02423	5.1
93.03460	1.1
95.01389	2.0
95.05009	4.1
96.96017	1.6
98.52570	0.6
99.00873	1.4
99.04508	33.6
100.04845	1.0
101.02431	38.0
111.00867	14.8
112.01665	1.3
113.02415	4.9
119.03490	2.0
119.05097	0.7
121.02956	1.1
123.84581	0.7
125.02450	2.9
125.06068	1.2
127.04003	100.0
128.04366	2.3
133.02936	0.9
134.03642	0.8
135.04518	3.8
137.01195	2.1
137.06079	9.2
139.00363	11.1
143.03540	1.5
151.04022	0.8
152.03523	19.3
153.01961	2.7
153.05547	0.9
161.02434	1.5
161.04568	3.4
171.02989	4.1
178.08746	1.1
179.03517	3.4
195.06564	3.1
211.06059	0.8
217.14337	1.0
222.07634	3.2
229.14404	0.9
239.05620	1.2
254.10242	2.0
291.08710	39.1
292.09119	3.3
331.17523	4.3
349.18622	2.4
368.61612	0.8
387.26392	0.7
391.15088	1.1
391.19681	4.8
392.20987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08667	2.9
50.40069	3.3
57.03440	6.8
57.13394	3.0
59.01373	66.6
61.98823	51.8
63.79812	2.7
65.03960	6.4
67.01884	16.3
68.99803	20.0
69.03449	7.0
71.01382	5.3
71.05045	3.8
73.02929	15.3
80.27868	2.8
81.03448	46.6
83.01375	12.2
83.05016	4.6
84.02178	3.8
85.02937	58.6
87.00856	24.3
92.99805	3.4
93.03447	59.8
95.01389	6.8
97.02911	4.1
99.04507	33.8
101.02429	32.0
101.06091	2.8
107.05019	33.5
109.02937	71.9
111.00886	22.4
111.04511	12.7
115.03978	4.6
118.13334	3.0
123.04527	9.7
125.02428	13.2
125.06066	14.3
126.03205	4.6
127.03997	60.9
127.04928	2.9
133.02937	4.5
133.06523	3.1
135.04510	45.8
136.04921	4.1
137.02432	64.4
137.06075	29.6
138.02782	2.9
139.00357	8.4
143.03477	11.5
149.06055	14.5
151.03999	51.2
151.07565	3.6
151.27489	3.0
153.01959	4.4
153.05551	8.4
161.02357	4.2
165.05649	4.4
167.07089	11.1
169.05058	53.3
171.02965	12.6
177.05643	5.8
179.03456	14.2
183.06612	26.0
193.05011	15.2
197.04655	2.9
207.06647	7.1
209.08128	9.5
211.06091	100.0
211.08121	6.3
225.07674	27.9
229.07208	5.9
243.08624	4.0
253.07138	26.0
271.08243	9.1
275.09259	7.5
279.29596	3.1
289.10904	6.2
291.08731	24.1
305.10278	4.2
317.10266	22.9
331.11395	3.7
391.13895	75.1
392.14145	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	391.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76797	0.5
56.93741	0.5
59.01375	18.3
61.98825	6.9
67.01882	86.3
68.02208	1.6
68.99809	14.7
70.35365	0.9
71.01374	0.6
83.99873	0.5
85.02963	0.9
86.61946	0.5
87.00903	0.7
89.02457	0.6
93.03439	1.1
95.01363	1.0
96.96008	2.2
99.00883	0.9
99.04505	32.1
99.91264	0.5
100.04855	0.6
101.02428	29.4
102.02794	0.5
109.02919	0.5
110.72739	0.5
111.00872	14.4
112.01702	1.1
119.04984	0.7
125.02419	2.2
125.06055	1.2
127.03998	100.0
128.04332	2.9
135.04494	1.8
137.02383	0.8
137.06067	8.0
139.00366	12.4
143.03499	1.5
146.30829	0.6
151.03983	0.8
151.07590	1.0
153.01871	2.9
153.05524	0.7
161.04494	0.8
169.05032	0.9
171.02957	4.3
179.03455	2.9
195.06606	2.7
211.06070	0.7
239.05615	1.3
291.08701	35.2
292.08990	3.4
315.12115	0.7
391.13724	1.3
394.02063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	8.4
59.01370	41.5
62.86550	3.7
71.01372	8.9
72.00905	5.1
72.99303	18.3
74.02463	13.3
75.37041	4.1
82.02967	29.4
83.01368	6.0
86.02449	6.0
89.02428	8.0
96.04542	15.9
97.04044	9.1
98.02473	10.5
98.20662	6.8
99.05654	8.0
100.04031	8.8
101.02440	9.5
104.03529	36.8
108.04527	17.7
110.02444	4.2
110.06138	6.2
111.05646	12.8
112.04044	11.2
112.07638	7.0
113.03568	3.9
117.42896	3.3
122.06119	4.0
124.04027	12.4
126.05593	13.9
127.05146	5.9
129.06682	43.6
133.06903	42.0
140.07149	11.4
143.04532	4.1
152.03479	5.6
152.07162	6.0
155.08247	15.5
165.06648	15.9
167.08202	6.7
170.04533	7.2
170.08171	3.4
183.07733	17.0
185.09351	5.1
195.07755	26.3
213.08771	26.2
227.06709	40.5
239.06790	8.7
257.07736	93.4
258.08032	6.6
304.12180	10.7
361.14322	6.2
391.10263	30.6
391.15381	100.0
391.19559	26.0
392.15686	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	391.1536
Annotation	Dicitrinin C
Peak:m/z	Relative Intensity
58.02964	7.1
59.01366	29.7
70.18725	2.9
71.01380	7.4
72.00904	3.7
72.99294	9.6
74.02457	8.9
82.02977	30.2
83.39160	2.8
85.13873	2.7
86.02480	7.9
89.02424	6.3
96.04539	8.5
97.04093	4.2
98.02470	13.8
98.20625	9.5
99.04554	4.3
99.05626	11.2
100.04037	5.9
104.03534	47.4
108.04533	12.9
110.06093	7.0
111.05624	11.5
112.04037	14.5
112.07650	8.6
113.02439	3.5
119.03472	3.6
124.04018	13.4
126.05592	16.1
127.05144	5.2
129.06682	43.2
133.06915	41.8
135.98338	6.7
140.07153	10.1
152.03514	8.2
152.07257	4.2
154.05130	4.4
155.08232	13.9
165.06656	12.0
167.08197	4.3
168.74049	3.3
170.04518	7.2
183.07733	18.5
185.09343	4.5
195.07700	22.0
195.19432	2.8
213.08762	22.9
227.06705	47.2
239.06693	7.6
250.04193	3.1
257.07748	92.8
258.08087	6.8
304.12152	11.5
361.14468	4.6
391.10309	17.5
391.15372	100.0
391.19458	13.4
392.10880	3.7
392.15665	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	391.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89155	0.5
54.11088	0.5
58.00587	0.6
59.01373	100.0
60.01694	1.2
61.98819	8.8
69.03432	1.2
70.45840	1.6
71.01377	12.0
72.99303	0.7
73.02952	1.5
76.20590	0.6
83.01390	1.2
85.02939	3.4
87.00871	1.4
89.02436	11.6
93.03470	0.6
95.01398	1.1
99.00881	0.8
99.04530	2.5
101.02427	9.1
109.02898	0.6
113.02436	5.1
119.03488	5.1
123.08162	0.9
125.09764	0.7
131.03499	1.0
134.03766	1.5
135.04515	4.2
138.03357	0.6
141.03787	0.8
143.03564	0.8
149.04533	0.8
149.06078	0.8
161.02466	1.1
161.04550	3.2
173.04558	1.8
179.03500	2.6
179.05614	1.3
191.05666	1.1
193.05130	2.6
238.10727	0.6
311.09488	2.7
331.13931	21.0
332.14471	2.0
343.12457	0.6
347.13470	1.7
391.11969	3.7
392.12018	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	391.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.3
57.03430	2.0
59.01372	100.0
60.01704	2.3
71.01378	12.2
72.99270	1.9
73.02935	6.4
75.00849	4.9
80.50244	1.3
83.01375	2.4
85.02946	6.3
89.02443	9.7
95.05029	1.4
97.02914	4.2
98.19862	4.8
101.02425	12.3
113.02431	6.3
119.03423	4.5
125.02337	1.8
128.50052	1.2
129.01898	2.6
129.06647	1.5
131.82817	1.5
137.09723	2.5
139.11276	26.5
143.03461	6.7
147.02991	10.0
155.09566	1.5
155.10760	28.9
161.04544	1.8
173.04553	8.8
179.05679	1.7
181.12332	16.7
183.10236	27.6
191.05559	2.2
199.09731	20.6
199.13362	9.6
217.14403	2.9
225.11340	6.3
229.14400	1.7
229.92505	1.5
243.12323	74.6
244.12601	3.8
257.07733	2.4
275.63254	1.3
297.66431	1.2
331.17596	2.8
373.14871	4.8
387.40247	1.4
391.15829	65.5
391.19672	6.2
392.16104	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	391.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50225	0.4
57.03431	1.6
59.01370	13.5
60.99276	0.6
61.98812	1.5
67.01886	4.9
69.03436	1.3
70.35819	1.4
71.01372	5.5
72.06053	0.5
72.99298	1.2
73.02939	0.5
78.95856	0.4
80.15331	0.4
81.03431	1.3
83.01369	0.5
83.04996	2.3
85.02966	1.9
87.00851	1.2
89.02425	1.9
93.03448	26.6
94.03770	1.2
99.00854	0.8
101.02452	2.2
109.02916	0.5
111.00874	3.4
111.04504	5.6
113.02414	1.5
119.03530	0.6
119.05005	1.8
123.08153	1.0
127.11277	1.5
129.01880	0.6
135.04501	1.4
135.08191	0.4
137.02423	5.2
137.09700	3.0
139.07529	0.4
145.02922	2.0
155.03481	5.2
155.10754	6.7
156.11104	0.7
157.08662	0.5
161.02342	0.7
161.04524	0.5
163.03947	1.9
173.04523	100.0
173.11807	1.6
174.04851	3.8
179.03485	1.3
181.08672	1.8
187.03966	0.8
191.05611	1.4
199.09727	7.0
217.05060	0.8
217.10773	27.2
218.11058	1.9
235.05910	0.6
265.07153	0.9
311.09549	1.7
347.13153	0.8
355.10239	0.8
362.98279	0.5
391.16122	24.9
392.11929	0.8
392.16437	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	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.9
57.03431	2.9
59.01376	100.0
60.01718	1.5
60.80297	1.4
71.01384	12.3
72.99273	2.8
73.02937	8.2
75.00867	6.6
83.01350	2.3
85.02917	4.9
89.02448	10.2
90.07078	1.3
93.03439	3.4
95.98542	1.6
97.02928	3.8
98.19857	5.1
99.00850	1.3
101.01842	1.7
101.02434	17.3
111.00806	1.5
113.02396	4.7
119.03439	4.9
129.01904	3.6
135.41153	1.3
137.09645	3.6
139.11279	24.7
143.03510	7.7
147.03004	11.7
155.10767	27.3
156.10982	1.6
161.04517	2.3
173.04553	12.9
181.12341	14.8
183.10236	35.7
187.17946	1.3
191.05566	2.9
199.09744	21.2
199.13390	10.3
217.14363	2.5
225.11252	9.9
229.14290	2.1
243.12334	80.4
244.12595	4.6
257.07544	1.3
268.58368	1.3
331.17413	2.4
373.14774	4.0
391.15808	78.3
391.19446	6.7
392.16135	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
57.03426	2.0
58.00577	1.2
58.02969	1.0
59.01371	100.0
60.01694	1.7
69.14032	0.9
70.97981	2.4
71.01373	40.4
72.00896	1.7
72.01695	0.9
72.99296	2.4
73.02938	12.1
74.02472	2.0
75.00841	1.0
80.87559	0.8
82.02976	3.8
83.01373	6.7
85.02935	19.9
87.00874	2.5
87.49283	0.8
89.02430	15.6
95.01357	2.3
96.04518	2.0
97.02953	1.9
97.04008	1.2
98.02457	2.3
99.00863	5.6
99.05620	1.3
100.04060	1.5
101.02428	37.1
104.03519	7.5
108.04543	3.2
110.06108	1.5
111.00845	1.8
111.05640	2.3
112.04021	3.7
113.02438	14.2
119.03487	9.1
124.04055	2.1
125.02414	1.3
126.05568	2.5
127.05105	1.4
129.01950	1.9
129.06668	6.9
129.09189	1.1
133.06895	6.2
134.60643	0.9
135.04567	1.7
137.09720	1.2
139.11279	0.9
140.07161	1.4
143.03484	2.6
143.04549	1.1
152.03522	1.7
152.07130	1.0
155.08253	3.4
155.10764	9.5
159.02960	2.9
161.02393	2.7
161.04510	11.5
165.06650	2.4
173.04517	3.0
179.03505	1.8
179.05557	1.2
183.07716	3.2
183.10262	1.0
183.34052	1.0
195.07652	5.7
197.47319	1.1
199.09738	7.7
213.08821	4.2
227.06705	7.8
239.06566	1.3
239.74898	0.8
243.12317	2.8
252.38333	1.0
257.07761	18.6
258.08032	1.2
304.12204	1.9
311.09482	2.0
331.17395	1.2
347.20700	8.7
361.14346	1.2
373.18408	1.4
391.15289	14.8
391.19687	46.7
392.15768	1.4
392.20038	5.8
398.19821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.4
57.03450	5.5
58.00586	1.6
59.01377	42.1
59.01674	2.1
59.80751	0.8
62.66432	0.8
70.39503	1.5
70.39872	1.9
71.01374	54.2
72.99292	2.4
73.02937	15.2
80.23104	0.8
80.97446	0.9
83.01381	10.9
85.02942	27.4
86.00056	2.1
87.00869	3.0
89.02429	11.6
95.01361	4.7
97.02962	1.2
99.00889	6.3
101.02435	44.2
103.07029	1.1
111.00868	3.9
113.02447	20.1
119.03486	3.9
125.02444	1.1
129.01912	1.7
129.09204	2.5
135.04504	8.5
141.01932	1.0
143.03499	2.5
159.02983	4.5
161.02415	2.7
161.04532	14.2
179.03467	7.3
188.24236	0.8
201.12178	0.9
311.09494	13.8
326.90094	0.9
347.20599	13.2
348.21078	1.9
391.19690	100.0
392.20081	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	391.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.1
59.01372	100.0
60.01707	0.7
64.83618	0.6
70.23996	2.8
71.01374	12.6
73.02947	2.1
83.01369	1.3
85.02941	3.9
87.00849	1.1
89.02435	13.5
95.01408	0.8
99.00848	1.2
101.02432	9.3
113.02438	5.9
119.03502	4.7
128.84334	0.6
131.03439	0.5
143.03528	0.9
143.77693	0.6
159.02983	1.0
161.04530	3.0
179.05588	3.2
184.63402	0.6
222.77257	0.7
226.08455	0.6
242.34769	0.6
269.73123	0.6
314.31342	0.6
331.17468	1.9
391.19659	21.3
392.19968	2.0
406.81424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01371	100.0
60.01712	1.7
61.98825	2.6
63.88488	0.8
64.33592	0.7
67.01879	12.5
68.99809	1.8
71.01384	4.4
71.62042	0.8
73.02920	1.5
80.91711	0.8
85.02940	1.1
89.02439	4.1
99.04503	5.4
101.02420	8.2
105.03477	0.7
111.00880	1.8
111.08150	7.9
113.02440	2.0
119.03483	1.5
125.02476	0.8
127.03997	14.8
127.04852	1.4
137.06061	1.5
139.00377	1.9
143.03421	0.9
147.04262	0.8
151.11249	1.3
154.95444	0.8
161.04575	3.0
165.12851	1.1
169.12343	1.3
171.10266	2.3
195.06630	1.8
197.11819	16.0
198.12154	1.2
207.10066	1.1
211.13437	1.3
219.09981	16.3
220.10303	1.0
233.11551	7.4
249.13432	0.9
251.11324	1.1
263.20276	1.2
278.97223	1.1
291.08716	5.3
291.19687	4.6
293.12497	2.7
309.20642	18.7
310.20947	1.8
313.17920	2.4
316.71030	0.9
331.18747	14.0
332.19302	1.7
342.08859	0.7
354.07272	0.8
391.20554	3.9
391.29797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.0
59.01372	100.0
60.93705	3.3
61.98800	3.9
67.26281	3.2
71.01367	4.2
71.61420	2.5
71.61846	3.7
73.02936	2.9
79.39088	3.1
89.02446	7.0
95.91968	2.5
98.64558	2.9
111.08155	6.9
114.41118	2.6
118.24689	2.8
119.08624	8.5
137.09671	21.3
139.11208	3.9
139.16690	2.7
150.29308	2.9
171.10228	46.5
183.10211	4.4
185.11823	11.4
193.08360	6.9
197.11787	10.3
207.09996	47.4
211.13454	3.1
213.11296	3.7
219.09964	12.5
253.09204	6.4
285.14847	2.9
291.19800	15.0
309.20667	64.8
309.60397	2.8
310.20801	4.2
313.17776	52.0
314.18225	7.0
373.18475	3.0
391.20218	10.0
391.28424	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	391.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
61.98825	7.1
69.25376	17.3
69.25806	20.2
70.87783	3.7
89.02431	5.4
189.44691	3.6
255.23166	5.7
291.31470	3.5
310.54944	3.9
347.51004	3.7
362.38333	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	391.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50985	1.9
59.01371	100.0
61.98830	3.4
67.01884	2.8
69.53770	14.4
71.01356	2.9
78.95909	5.8
87.26376	1.8
89.02406	2.5
101.02453	2.4
127.03975	4.2
152.99551	16.0
161.04475	2.2
255.23260	96.8
256.23621	9.3
377.45111	1.7
391.22525	11.0
392.23508	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	392.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33316	1.1
52.56867	1.4
55.85957	1.0
59.01372	100.0
69.34135	9.4
69.34520	2.7
82.69683	1.4
98.20749	1.4
111.00900	1.2
111.04537	2.1
135.04553	1.2
142.06631	3.5
146.02502	2.2
160.04016	3.5
161.02437	1.3
163.00372	1.4
172.03996	2.2
178.01439	3.1
184.11284	2.4
187.06430	2.7
188.03503	8.2
190.01424	9.3
204.03041	7.7
206.04568	4.2
212.10753	3.7
216.10265	1.9
226.12521	1.2
228.10246	3.0
228.13918	1.9
232.02464	18.5
233.02824	2.7
244.09727	4.9
244.13324	6.2
247.04813	39.8
248.05150	4.2
248.09215	5.8
261.10019	4.6
272.12976	3.7
276.09317	1.7
276.12378	34.3
277.12756	2.9
278.06531	2.4
280.11893	3.2
288.12302	8.0
303.10928	2.4
304.15460	17.6
308.11453	7.9
318.13388	46.8
319.13751	5.5
348.14557	9.8
382.68771	1.3
392.13641	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	392.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83324	0.3
59.01374	34.8
60.01695	1.0
68.01401	0.4
69.03450	6.1
69.57191	0.3
69.68266	1.8
71.01366	0.7
73.02944	0.5
79.95712	0.6
81.80078	0.3
87.04510	0.3
93.02205	1.0
94.02997	0.3
95.05018	12.8
96.00889	0.5
96.05379	0.4
96.96001	14.7
101.02412	0.6
106.22910	0.3
109.01653	2.0
113.02438	0.4
119.04958	0.3
120.08187	2.5
121.02939	1.1
131.03638	0.4
133.02930	0.6
135.04506	0.5
137.01170	7.3
137.02238	0.4
137.06078	4.3
138.06390	0.6
146.06099	0.9
148.03998	1.5
150.09215	0.5
152.03517	100.0
153.03874	3.7
161.02432	1.8
162.02917	0.3
162.05605	0.4
175.02733	0.4
178.08705	20.4
179.07216	0.5
179.09055	1.2
180.06631	2.0
183.78705	0.3
190.05075	1.4
194.25903	0.3
208.06145	0.6
222.07683	11.4
223.08089	1.0
231.15958	0.7
254.10312	10.3
254.12912	0.6
255.10689	1.0
393.19501	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	392.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08348	0.6
57.47631	0.7
59.01375	10.9
60.01686	1.2
61.98824	100.0
63.67810	0.7
67.01881	13.7
68.02224	3.4
68.99818	2.9
71.01379	0.8
78.95917	2.2
79.95741	0.7
96.95357	0.5
96.96011	2.5
98.19917	1.6
99.04520	4.6
100.04874	1.9
101.02437	7.8
102.02767	0.8
111.00890	2.1
125.02418	1.0
127.03999	14.2
128.04337	5.1
137.06041	1.3
139.00386	2.9
152.03494	0.7
153.01961	1.2
173.04581	1.1
204.24918	0.6
214.63057	0.6
229.05667	0.9
291.08688	4.1
292.09137	3.9
392.19113	0.8
393.19455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1187
Annotation	Jasmolactone B
Peak:m/z	Relative Intensity
52.30342	0.7
55.01864	1.6
57.03436	2.1
57.58257	0.8
59.01371	18.2
62.08749	0.8
65.03949	2.7
67.01881	18.2
68.99805	31.3
69.03443	11.0
69.58897	5.9
71.01372	2.0
81.03456	3.9
83.05012	17.1
85.02936	10.8
91.05494	1.5
93.03442	88.1
94.03770	3.1
95.01374	8.0
95.04985	1.4
96.96001	9.6
97.02940	1.4
99.04514	2.9
101.02428	38.9
107.04993	6.2
109.02941	5.9
109.06564	1.4
111.00865	80.1
111.04504	100.0
112.01113	1.1
112.04871	1.9
113.02438	9.6
117.03545	0.8
119.05013	13.1
121.02942	9.9
122.03784	1.2
123.04508	4.7
125.02408	2.5
127.03117	1.6
127.03996	20.7
135.04503	13.3
137.02423	29.2
137.06038	12.5
137.64413	0.8
138.02753	1.9
139.00352	47.0
139.03969	0.9
140.00739	1.4
142.80174	0.8
143.03452	1.5
147.55299	0.7
149.02373	4.4
151.03987	6.1
153.05548	4.3
155.03461	5.0
161.02480	1.0
163.00359	1.0
163.03996	9.0
165.01891	8.4
165.05531	4.5
169.05028	1.4
171.02943	2.6
172.56740	0.9
177.05525	2.3
179.03438	4.8
181.05031	35.0
182.05394	1.9
195.06578	3.6
197.04526	1.7
207.02959	3.0
211.06133	1.1
225.04033	4.4
229.07149	1.0
237.90701	1.1
249.07544	0.9
257.06519	1.8
273.07635	69.2
274.08035	5.3
275.05554	29.5
276.05743	2.0
291.08646	1.3
307.08173	23.8
308.08508	2.5
315.08792	1.1
331.08231	1.3
343.08258	5.7
357.09714	1.8
361.09235	5.1
393.19443	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42692	0.8
59.01377	9.9
69.66098	5.2
71.01366	5.4
75.00857	1.0
85.02924	3.6
87.00856	8.7
89.02431	2.3
98.19837	1.0
99.00855	3.0
101.02444	2.0
113.02429	3.1
118.04009	0.9
119.07360	0.8
123.08092	1.6
125.09711	4.8
129.01880	0.8
133.02905	1.5
135.04512	8.8
136.04808	3.0
141.09207	8.8
153.09198	52.0
154.09532	2.8
161.02411	3.7
167.02094	0.8
167.07118	1.7
171.10237	8.8
179.03494	6.1
180.03813	2.0
185.08180	5.2
197.08168	39.9
198.08426	2.7
215.09215	100.0
216.09586	5.1
311.09592	2.0
311.59677	10.2
312.09695	2.1
351.19058	1.7
375.12836	4.1
392.62219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03407	1.5
58.00578	2.2
59.01374	44.0
62.74733	1.4
69.49361	5.5
69.49775	3.7
71.01375	22.3
72.99288	2.2
73.02936	5.7
83.01390	3.4
85.02935	7.3
87.00871	2.1
89.02441	19.1
95.01380	3.5
95.08643	2.0
99.00884	2.1
101.02432	18.4
107.08666	11.2
111.08141	4.5
113.02437	10.7
116.50301	1.3
119.03488	4.8
125.09734	7.2
139.07639	37.1
151.07640	41.4
152.08000	1.8
159.03004	1.4
161.04553	4.4
169.08708	9.0
181.23778	1.4
183.06555	8.2
213.07663	68.3
214.08017	4.3
261.45844	1.6
331.13983	3.1
363.12921	9.5
375.12933	15.3
376.13223	1.8
393.13968	100.0
394.14230	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	393.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20416	1.1
55.01867	1.7
57.03447	5.9
57.03681	1.4
59.01374	6.3
59.21156	1.0
66.89767	1.0
68.99793	1.1
69.03441	3.9
70.23148	0.9
71.01377	10.5
71.05023	2.9
71.62289	1.4
72.99297	5.7
73.02940	1.6
75.00858	1.3
80.62689	1.0
83.01374	3.6
84.91718	0.9
85.02940	24.5
87.00865	37.7
87.04498	3.2
89.02435	1.7
95.01415	1.2
97.02954	7.7
99.00848	8.3
99.04504	78.5
101.02406	1.8
111.00890	2.5
113.02443	3.1
115.03999	6.3
117.01894	1.3
125.09677	2.3
129.01030	1.8
129.01923	19.1
134.03720	3.5
135.04478	1.6
141.01903	3.7
141.09190	6.1
149.06075	1.7
153.09196	59.1
154.09561	3.3
159.02971	2.5
167.07062	2.0
171.10182	3.7
175.03967	1.1
183.10197	2.5
185.08086	1.6
191.05606	12.6
193.04997	4.7
197.08160	53.2
198.08488	3.0
198.62294	1.1
201.11305	3.1
204.37961	1.0
209.06584	6.6
215.09206	67.2
216.09505	4.4
291.10797	2.9
305.17877	1.7
343.14017	1.8
355.10114	1.7
357.12006	1.2
375.12616	4.1
375.16656	4.7
393.17596	100.0
394.17941	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	393.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44940	0.3
52.46930	0.4
55.01875	0.9
57.03444	1.1
58.00589	3.4
59.01373	82.0
60.01713	0.9
61.91508	0.4
62.48658	0.3
69.03459	0.9
71.01373	59.5
72.01698	0.6
72.99313	3.4
73.02940	13.8
74.03263	0.3
75.00877	0.8
81.03426	0.4
83.01379	2.6
85.02944	8.9
85.03442	0.6
87.00861	3.5
89.02431	100.0
90.02760	1.7
95.01395	2.3
97.02950	1.6
98.19852	1.5
99.00867	18.2
99.04557	0.4
101.02431	37.2
102.02769	1.0
106.95429	0.3
111.00820	0.5
113.02441	18.3
114.02791	0.6
115.04008	0.8
119.03484	15.5
120.03873	0.7
122.75229	0.4
125.02430	3.8
131.03490	15.7
132.03845	0.5
143.03506	4.0
149.04536	47.0
150.04868	1.4
153.09193	1.4
161.04526	4.5
179.05589	10.6
191.05573	10.6
197.08261	1.9
221.06616	1.8
230.76218	0.4
233.06577	0.7
251.07674	2.8
261.13373	2.6
262.13675	0.4
293.08765	0.6
311.09668	0.5
311.59451	0.5
314.88718	0.4
393.17599	21.4
394.18045	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63142	0.2
57.03433	0.2
59.01367	3.0
59.99273	0.2
61.01818	0.2
61.98818	0.3
71.01385	0.3
79.95731	1.9
85.02936	0.3
95.05013	0.5
96.95998	100.0
97.95932	0.4
101.02398	0.3
101.37865	0.2
111.00886	0.3
113.02446	0.3
133.02940	0.6
135.04509	0.8
137.06087	1.6
140.59663	0.2
148.01631	0.3
150.03239	0.2
161.02419	1.4
162.02679	0.3
179.03439	0.6
205.12215	0.2
215.09059	0.3
231.10126	0.3
311.09525	0.7
361.09241	0.3
384.04742	0.2
393.19476	38.4
394.19751	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	393.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	68.1
61.01781	9.4
61.98812	44.6
67.01874	15.7
69.45753	60.3
69.46156	12.7
72.44579	9.3
84.15067	10.2
93.03537	12.3
96.96002	100.0
98.19735	10.9
100.78288	8.8
127.03962	18.2
306.29260	9.9
393.23035	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2123
Annotation	JBIR-56
Peak:m/z	Relative Intensity
55.01861	1.8
56.20441	0.6
59.01095	0.8
59.01373	9.3
71.01371	7.5
72.99274	0.6
73.02929	3.0
74.85117	0.6
83.01371	2.5
84.74747	0.6
85.02935	4.3
87.00839	0.7
89.02408	1.5
95.01362	1.1
99.00907	0.9
101.02438	8.0
109.43432	0.6
111.00887	1.0
113.02425	2.3
113.09774	0.7
167.14383	0.6
185.15437	2.4
213.14906	1.8
231.15953	11.0
232.16173	0.9
238.96681	0.7
286.37997	0.8
312.96216	0.6
357.19196	0.7
373.85535	0.7
375.20169	6.0
393.21216	100.0
394.21542	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	393.2126
Annotation	JBIR-56
Peak:m/z	Relative Intensity
55.01883	1.5
58.00584	1.1
59.01373	85.9
60.01699	1.1
68.99812	0.6
71.01376	21.5
72.99302	1.1
73.02952	2.9
77.49780	0.6
79.95738	1.0
83.01395	2.3
85.02943	8.4
87.00896	0.6
89.02430	15.3
89.04858	0.7
93.03461	1.1
95.01378	1.4
96.95998	31.2
99.00886	1.7
101.02429	18.1
103.89962	0.5
111.00856	0.8
111.04535	1.0
113.02437	8.4
113.09715	1.2
119.00386	0.5
119.03458	4.4
135.04472	0.7
137.06064	0.8
152.27904	0.6
161.02454	0.8
161.04546	4.7
171.13905	0.9
179.05623	1.2
213.14975	2.0
283.20776	0.6
331.21484	0.7
333.19083	3.4
375.20331	3.3
393.21271	100.0
394.21570	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	393.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40266	1.7
51.81020	1.5
53.00129	1.7
59.01091	2.6
59.01373	51.9
61.98809	5.8
67.01894	2.6
68.99821	2.0
69.03461	2.3
71.01376	49.7
71.62417	2.5
72.99281	2.3
76.81955	1.9
85.02940	5.9
89.02432	60.6
89.02985	3.0
90.02766	1.9
91.98536	1.9
93.03450	3.3
95.01367	2.5
96.95990	2.7
100.45219	1.8
101.02441	17.1
107.04955	2.4
111.00840	2.8
111.04495	2.4
113.02444	12.8
113.05884	1.9
113.14641	2.1
119.03485	7.6
121.06616	3.8
129.96043	1.7
135.04448	1.9
139.00322	1.9
143.03462	3.5
149.04770	2.3
149.06053	13.6
161.04518	5.4
172.42281	1.9
179.05560	19.4
181.08710	2.8
183.13889	13.1
195.13806	8.9
213.14928	100.0
214.15242	8.3
243.81322	2.1
245.81476	2.1
246.74475	1.7
257.92856	1.8
259.06473	2.0
259.09796	2.1
276.23227	2.1
291.08734	2.6
374.41025	1.9
380.50491	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65850	1.5
59.01096	2.1
59.01372	34.4
61.98814	3.8
68.61213	1.8
71.01359	1.7
71.31564	3.7
78.95926	2.1
89.96723	1.8
95.41134	1.5
99.08151	2.7
113.09721	2.4
126.90617	1.6
129.09193	4.2
134.49239	1.7
139.11256	6.2
147.11717	3.7
165.12796	5.5
169.12263	3.0
171.10234	9.7
181.12244	3.1
183.13803	3.3
187.15079	1.7
193.06754	1.7
193.08385	10.1
193.12236	2.9
197.11809	11.1
199.13341	4.1
207.09920	1.6
211.13368	16.4
211.26292	1.6
215.10469	4.7
219.09865	2.2
233.11551	73.0
234.11856	4.4
247.30956	1.9
249.13261	3.6
251.11304	4.3
252.92351	1.9
253.09247	1.9
293.12326	6.5
293.21198	16.6
311.22238	100.0
312.22610	9.7
315.19144	1.7
332.34613	1.8
333.20444	22.9
334.20779	3.0
393.22406	15.0
394.23175	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	393.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.4
59.01370	20.5
61.98821	4.7
71.42464	0.6
71.61346	1.0
96.95985	2.1
107.08667	0.9
125.09682	0.8
139.11209	1.0
141.12825	1.8
171.10255	25.4
172.10574	1.5
183.10262	2.0
185.11740	0.9
211.08080	1.3
231.56126	0.6
234.23547	0.6
263.12900	0.6
263.20129	3.5
275.20099	7.4
276.20401	1.4
285.18390	1.8
291.19843	0.7
293.21213	17.4
294.21567	2.3
311.22235	100.0
312.22583	10.6
315.19333	6.1
317.17303	1.6
333.19168	7.4
359.18451	0.9
393.22577	16.1
394.22586	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	393.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69167	17.2
61.98816	51.5
66.39126	18.1
69.61465	100.0
74.22708	18.9
98.27848	18.4
136.99126	19.6
168.30716	20.2
316.32376	19.3
349.83246	20.4
394.13309	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.3
61.98825	100.0
67.01899	1.1
71.01407	0.5
71.61685	0.5
76.35542	0.4
96.96010	3.5
99.04558	0.8
102.05631	0.7
121.46136	0.5
127.04028	0.9
128.04361	0.9
128.59729	0.5
130.49852	0.5
133.02965	0.8
134.03746	1.2
135.04509	0.8
137.02472	1.6
139.00299	0.5
161.09706	1.8
172.74629	0.5
178.02765	0.7
179.03514	1.2
266.54880	0.5
303.05219	0.6
331.15485	6.3
395.10269	1.8
395.21313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48038	0.5
59.01371	14.3
60.01713	3.0
61.01793	1.6
61.98824	100.0
62.98503	0.5
64.72992	0.5
65.27413	0.5
71.01364	0.8
89.02463	0.8
116.00299	0.5
128.20027	0.6
183.23399	0.5
204.44543	0.6
262.47647	0.6
367.97379	0.5
418.88870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.2
59.04596	0.3
59.09568	0.3
60.01701	0.5
61.01813	0.5
61.98822	100.0
67.90173	0.3
69.26180	1.7
69.26601	1.5
71.01366	0.8
73.02940	0.4
83.01385	0.3
85.02940	0.5
90.74978	0.3
101.02437	0.8
135.04495	0.4
210.81490	0.4
238.50659	0.3
245.80981	0.3
263.15009	1.4
274.00821	0.3
380.12143	0.3
394.15329	0.5
394.20978	0.6
395.19263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77489	0.6
59.01372	4.9
61.01799	0.9
61.98821	100.0
70.18131	2.3
85.18034	0.6
87.50916	0.5
87.58852	0.5
98.20563	0.6
109.80995	0.7
137.93266	0.6
148.52589	0.7
150.64537	0.6
160.82835	0.6
164.12778	0.6
224.67551	0.6
273.67529	0.6
413.69653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30945	0.3
59.01367	2.1
61.01806	0.5
61.98823	100.0
69.40767	0.6
69.41176	1.8
148.68355	0.3
220.17366	0.3
362.94012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	13.0
60.01709	2.9
61.01796	2.7
61.98822	100.0
65.75230	0.6
69.36430	2.6
69.36852	2.3
71.01393	0.9
79.31769	0.6
85.02935	0.5
85.95060	0.5
98.19899	1.3
131.83511	0.6
160.62349	0.6
199.92513	0.7
231.93787	0.6
245.77119	0.5
245.79906	0.6
300.74255	0.6
357.62341	0.7
394.20645	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	395.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44669	2.9
79.95737	1.9
87.12911	0.3
96.96001	100.0
111.37807	0.3
169.58098	0.3
191.51852	0.4
238.50304	0.4
395.21027	44.5
396.21356	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	395.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95612	0.2
72.99319	0.3
79.95727	2.0
80.44063	0.2
96.95996	100.0
97.95914	0.5
98.95596	0.5
110.81039	0.3
229.31898	0.3
395.21008	46.1
396.21353	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	395.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40284	0.2
66.76098	0.2
71.37494	0.3
72.21178	0.2
73.02564	0.2
79.95728	2.1
93.79604	0.2
96.75101	0.2
96.95999	100.0
100.28527	0.2
131.17157	0.2
168.33717	0.2
170.81784	0.2
171.11852	0.4
233.11771	0.7
254.52585	0.2
303.28531	0.2
395.21011	44.6
396.16196	0.3
396.21332	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	395.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50274	0.4
53.73093	0.4
59.01305	17.1
59.01630	1.6
61.98755	3.3
71.61264	0.4
71.61617	0.6
75.38000	0.4
80.91620	0.6
83.04984	0.4
96.95905	1.2
99.07423	0.4
125.09625	0.8
127.11201	0.8
131.47389	0.4
139.11188	0.5
141.12791	0.7
149.00714	0.4
155.10760	2.9
157.12263	0.5
160.35396	0.4
165.02026	0.4
167.58112	0.4
171.10246	5.7
190.27779	0.4
193.08252	0.4
267.23090	0.4
277.21658	0.9
295.22742	7.4
309.20731	1.1
311.22318	1.1
313.23798	100.0
314.24146	10.2
333.20258	1.7
335.21844	3.6
351.23706	0.4
379.20947	2.2
395.23981	15.6
396.24234	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
61.98803	0.5
70.07037	0.2
71.01375	0.8
71.45859	0.5
75.00854	0.3
96.95962	0.3
106.63953	0.2
117.01926	0.9
118.86734	0.2
135.03012	1.1
145.81165	0.2
157.86082	0.2
259.20667	0.5
275.20123	0.4
277.21677	100.0
278.22049	9.3
395.24380	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	397.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.3
71.01383	1.6
71.61112	1.5
74.29241	0.8
78.95893	51.1
79.95704	1.9
87.00892	0.8
89.02385	1.9
93.87366	0.7
96.95993	58.2
96.96945	100.0
98.02454	4.5
100.67486	0.7
110.02471	1.2
120.46345	0.8
131.99864	0.8
134.04695	0.8
150.28589	0.9
187.32802	1.0
423.13062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.113
Annotation	Cnidioside B
Peak:m/z	Relative Intensity
55.01872	1.4
57.03426	3.7
59.01369	21.7
61.98824	6.3
67.01881	1.2
69.26629	11.3
71.01372	22.3
72.06688	1.2
72.99295	7.6
73.02921	4.5
75.00862	22.8
82.39951	1.2
83.01348	1.9
85.02942	25.5
87.00867	12.1
87.23531	1.2
89.02434	4.3
93.03474	1.2
94.41708	1.2
95.01379	7.2
98.20609	2.7
99.00861	15.0
100.99261	1.2
101.02448	1.8
103.00357	4.8
103.05523	3.4
111.00849	2.2
113.02431	36.5
115.00312	1.5
117.01911	3.6
119.04998	2.4
127.00420	1.3
129.01918	2.3
130.39294	1.4
130.46455	1.1
136.15013	1.2
136.30626	1.1
147.04497	95.4
148.04831	4.9
155.10771	4.1
161.02452	1.2
174.01683	1.9
175.02452	4.5
179.10756	4.7
191.05553	1.8
193.03511	2.3
199.09758	5.7
202.66489	1.3
223.09891	1.4
231.05095	3.2
249.06117	22.9
250.06409	1.7
294.42401	1.2
337.09189	1.2
361.14600	1.3
379.10355	4.1
397.11310	100.0
398.11731	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	397.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36500	0.3
57.03444	1.0
59.01372	1.8
60.99301	0.7
61.53718	0.3
65.03942	0.3
67.01880	5.5
69.03448	1.0
71.01379	3.5
71.07118	0.7
71.07473	0.6
81.03455	1.1
83.05019	1.2
85.02944	0.8
87.00842	0.4
91.21682	0.4
93.03447	31.2
94.03777	0.9
109.02928	1.1
111.00872	0.8
111.04497	5.4
113.02405	0.4
120.25426	0.3
121.02932	2.3
127.04044	0.4
134.03714	0.3
137.02426	4.6
147.04521	1.0
149.02431	16.9
150.02795	0.8
155.03479	4.8
164.04784	12.6
165.05058	0.4
173.04535	100.0
174.04883	4.0
179.07124	1.1
191.05641	0.8
208.03880	0.4
223.06076	13.4
224.06445	0.3
230.13469	0.3
239.84157	0.3
242.08687	0.4
397.11322	2.4
407.44370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1132
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
63.54953	0.4
69.36598	3.9
83.05008	0.5
85.02922	0.7
87.00902	0.4
91.05489	0.5
93.03444	2.8
111.04515	2.3
112.56316	0.4
117.03435	0.5
119.04980	0.6
121.02940	5.0
132.02118	1.1
147.04491	4.7
149.02420	47.7
150.02756	2.4
155.03482	3.6
163.04018	0.7
164.04768	52.3
165.05087	2.9
173.04507	6.7
179.07121	4.0
191.05609	4.4
223.06081	100.0
224.06410	5.7
254.12273	0.5
261.53766	0.5
291.56125	0.4
397.11325	5.9
398.11606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43778	0.8
53.81056	0.8
57.03425	2.5
59.01091	1.1
59.01368	15.0
60.75599	0.8
61.98813	1.4
67.01866	3.6
68.99790	1.1
69.03430	2.4
71.01373	17.9
72.99298	3.7
73.43635	0.8
75.00869	16.4
77.47887	0.9
81.03437	1.0
83.01394	1.4
83.17822	0.8
85.02937	16.9
87.00861	6.5
87.97700	0.9
89.02403	3.2
93.03440	23.5
95.01343	3.8
99.00866	9.2
103.00333	1.4
103.05486	2.1
109.02908	1.5
111.00838	1.9
111.04522	4.8
113.01691	1.4
113.02430	20.5
115.00339	2.0
117.01906	2.9
129.01935	1.9
135.04446	1.0
135.11790	1.1
137.02406	3.9
147.04501	64.7
148.04782	2.6
151.81602	0.8
155.03505	5.1
157.01434	1.0
173.04518	100.0
174.04854	3.2
175.02393	2.5
179.10741	7.6
182.16396	0.8
189.03932	1.6
191.05521	2.2
223.09679	3.0
231.05103	4.8
235.09729	0.8
249.06110	47.6
250.06320	2.4
336.42560	0.9
379.10226	2.2
397.11166	54.3
398.11600	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	397.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
57.03440	0.6
59.01363	1.2
60.99276	0.7
67.01885	4.3
67.42889	0.5
69.03455	0.7
71.01382	3.4
71.61201	0.7
73.57690	0.5
74.70895	0.4
81.03464	0.5
83.05009	0.8
85.02930	0.5
87.00864	0.8
93.03445	24.5
94.03739	0.6
99.04514	0.4
109.02982	0.7
111.00857	1.1
111.04503	5.1
111.07168	0.5
135.11783	1.5
137.02408	4.1
155.03464	4.7
172.06981	0.4
173.04520	100.0
174.04883	3.8
179.10741	6.7
180.11150	0.7
223.09674	2.3
225.16457	0.5
249.06375	0.5
397.14932	7.7
398.15176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
59.01364	1.8
60.99289	0.6
61.64824	0.3
67.01882	4.2
69.03457	1.0
71.01371	3.0
81.03444	1.2
83.05013	0.9
85.02940	0.6
87.00893	0.6
93.03447	26.0
94.03775	0.9
95.01355	0.5
95.05766	0.3
109.02931	0.9
111.00874	1.1
111.04507	4.0
113.02447	0.6
127.04037	0.5
135.11786	1.3
137.02423	4.3
145.62065	0.3
155.03479	4.4
173.04520	100.0
174.04855	4.2
175.27298	0.3
179.10742	7.0
191.05580	1.3
223.09740	3.1
224.10260	0.4
397.14948	6.3
398.15311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
64.96999	0.6
65.09914	0.4
65.50739	0.4
70.89941	0.8
79.95728	10.7
80.96513	1.4
94.98068	1.4
95.95237	2.9
96.95998	92.7
97.95906	0.5
122.97569	4.5
157.72870	0.4
163.23360	0.4
167.00226	0.6
169.02608	0.4
277.21729	3.1
278.22043	0.6
279.23367	0.5
338.57562	0.4
397.22580	100.0
398.22861	10.0
406.08685	0.4
417.89850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17778	5.6
59.01349	10.6
71.61808	7.5
79.95704	7.9
82.67326	6.4
96.96003	71.2
139.47871	6.0
153.89308	6.2
174.42857	6.7
267.43814	6.9
349.60684	8.2
375.55453	6.5
397.22583	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	397.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88285	0.4
54.37431	0.5
59.01361	1.5
61.10821	0.4
61.98819	0.5
70.25460	1.4
70.25803	0.5
94.79271	0.4
95.92507	0.4
96.95993	1.2
127.07580	0.4
163.65013	0.5
259.20645	0.5
277.21680	100.0
277.67041	0.5
278.21957	8.7
316.18372	0.5
376.45898	0.4
397.22321	0.9
397.33127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69118	1.1
59.01371	8.7
61.98822	100.0
69.03479	1.0
69.49915	8.4
71.01407	1.7
73.02943	1.4
74.81252	1.0
75.00861	2.3
85.02922	1.5
87.00867	2.8
93.03444	9.5
93.29930	1.1
98.20609	2.0
99.00889	1.7
107.04953	1.4
109.02940	1.2
111.04495	2.1
113.02427	4.2
123.58356	1.1
133.02953	5.1
134.03694	3.2
135.04509	74.7
136.04851	3.1
137.02422	4.0
137.06052	10.7
155.03517	1.4
161.02419	18.1
162.02736	1.6
163.40640	1.1
173.04497	3.0
179.03471	67.3
180.03830	3.2
201.04019	1.2
335.07681	67.7
336.08087	5.5
363.16290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.6
57.03432	2.6
57.04442	1.4
59.01092	2.7
59.01373	41.4
61.98804	4.1
70.88496	3.2
71.01380	27.2
72.99288	2.3
73.02936	15.6
78.95904	4.5
81.03429	1.8
83.01382	3.7
85.02935	18.8
87.00883	5.1
89.02446	10.2
95.01408	2.8
96.96002	7.5
96.96954	5.8
99.00878	5.6
101.02431	37.8
110.59279	1.6
111.00838	1.9
113.02429	14.0
115.03964	1.8
119.03474	1.8
129.01938	2.4
135.04492	3.3
143.03491	1.8
147.03061	1.6
154.51184	2.2
159.02992	3.0
161.04561	14.1
163.03957	2.9
164.04791	1.5
173.04471	2.3
191.05641	3.1
204.58156	1.8
207.08711	100.0
208.08983	2.9
225.04025	2.1
235.88129	1.7
298.53818	1.9
339.12906	97.2
339.16370	3.6
340.13156	7.8
361.11136	1.6
399.14273	1.9
408.18918	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
59.01364	2.8
63.81470	0.7
71.01371	1.3
71.42028	1.0
72.99300	1.0
73.02933	2.9
78.95906	0.7
79.03095	0.6
81.03446	0.8
83.01392	1.4
83.05024	1.7
87.00869	0.9
93.03445	4.2
95.05015	2.1
108.02188	0.9
111.04517	4.7
127.00403	0.7
137.02361	0.7
137.15454	0.7
144.75737	0.7
152.01108	0.6
154.99860	12.0
155.03503	5.1
163.11263	4.2
173.04532	11.6
174.04854	1.1
177.43834	0.6
179.28694	0.7
181.10774	1.0
181.12328	15.8
182.12613	0.9
192.37080	0.7
207.10236	1.2
225.11296	100.0
226.11606	7.9
243.12326	1.4
260.53793	0.9
267.12460	1.3
399.16565	31.9
400.16907	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	399.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01123	0.5
53.36536	0.5
57.03442	0.7
57.10856	0.5
59.01379	1.3
62.29218	0.5
67.01877	0.8
70.91984	0.7
70.92319	1.0
71.01362	1.6
72.99261	0.5
73.02914	2.1
81.03465	0.7
83.05019	1.8
85.02948	3.4
87.00859	0.6
93.03454	7.5
95.05004	2.2
109.02918	0.8
111.04511	5.7
127.03933	1.1
137.02437	1.2
154.99933	0.7
155.03471	5.6
163.11266	4.1
169.52574	0.5
173.04529	26.6
174.04843	1.7
181.12321	16.5
182.12607	1.7
191.05591	34.3
192.05986	0.9
207.10327	0.7
225.11287	100.0
226.11597	7.3
399.16553	28.9
399.21872	1.2
400.16901	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	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01375	1.3
60.99287	0.5
66.25013	0.2
67.01881	4.0
68.64265	0.2
69.03444	0.9
69.33105	2.0
71.01366	3.1
73.02948	0.3
73.39000	0.2
73.69208	0.2
77.69566	0.2
81.03451	0.7
83.05022	1.0
83.28851	0.2
85.02934	0.5
87.00860	0.5
93.03445	24.9
94.03770	0.8
98.19807	0.5
109.02926	0.8
111.00876	1.2
111.04498	4.7
113.02437	0.2
127.04004	0.4
130.27695	0.2
137.02414	4.4
138.02701	0.3
155.03471	5.0
163.11269	0.7
173.04514	100.0
174.04869	4.6
181.12352	2.2
207.24281	0.3
225.11279	14.9
226.11681	0.6
255.04280	0.2
357.92892	0.2
399.16519	13.2
400.16748	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	399.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24148	0.5
57.03447	0.9
57.20081	0.5
59.01364	2.1
60.99292	0.6
67.01883	3.9
69.03443	1.4
69.83369	2.4
71.01369	2.5
81.03445	1.2
83.05013	1.2
85.02933	0.8
87.00828	0.6
93.03447	26.0
94.03785	1.0
98.04626	0.5
98.20650	0.5
111.00877	1.5
111.04505	3.8
137.02420	4.0
155.03479	4.6
163.11224	0.8
173.04526	100.0
174.04883	5.1
181.12328	3.1
191.05576	8.4
225.11292	23.7
225.13538	1.1
226.11678	1.8
399.16577	15.4
400.16885	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	399.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
59.01375	100.0
60.01717	1.1
61.98817	0.5
71.01375	4.5
71.61855	0.6
73.02940	2.1
75.00890	0.5
83.01397	0.5
85.02928	2.6
89.02447	0.3
94.72002	0.4
99.00909	0.8
101.02447	3.6
113.02446	1.4
160.07623	0.5
161.04506	2.2
173.04524	0.4
188.60977	0.4
218.08153	0.4
357.22864	4.3
358.23178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01376	6.9
61.98823	100.0
62.98517	0.4
71.01383	3.8
71.62501	0.4
72.99300	0.5
73.02917	0.9
83.01410	0.6
85.02949	1.5
87.00874	1.0
89.02428	2.2
93.03442	0.7
99.00906	1.1
101.02458	1.5
109.02952	0.4
111.00899	0.4
113.02464	1.6
114.79166	0.4
115.00381	1.2
119.03474	0.9
121.02969	0.5
122.06113	1.0
123.08168	0.5
125.02522	0.4
129.55357	0.4
133.02974	0.5
135.04524	1.3
139.00415	0.5
149.02452	2.3
149.06097	1.4
150.02821	0.9
150.05612	1.0
151.03973	0.9
151.07632	1.0
159.02902	0.4
161.02463	1.7
161.04533	0.8
163.04004	0.6
163.07744	0.7
164.04808	1.6
165.05228	0.7
166.05167	1.0
173.04515	1.3
174.04851	0.5
175.02478	1.2
176.03473	0.9
177.01921	2.8
177.04019	0.5
179.07115	0.7
179.10753	0.4
188.08508	0.6
191.05685	1.1
194.04643	1.4
203.10748	3.3
219.02963	0.5
221.11781	4.5
223.06122	1.6
224.06512	1.0
225.04301	0.5
225.06711	1.1
233.04521	2.1
237.04034	0.6
277.03482	5.5
319.04507	2.2
337.05588	2.5
356.24142	0.4
357.13727	0.5
394.73602	0.4
400.04980	1.9
401.10635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79567	1.4
55.01878	1.9
56.45245	1.8
59.01371	21.8
60.68189	1.5
69.03432	1.9
70.47219	3.5
70.47554	2.1
71.01376	19.6
72.99289	3.5
73.02933	7.2
81.03445	1.9
83.01372	2.0
85.02927	13.9
87.00867	62.4
89.02432	21.4
93.03419	2.2
97.82742	1.7
99.00868	2.6
101.02410	11.6
109.02917	1.8
113.02433	7.7
119.03486	6.3
123.00872	3.6
126.35022	2.0
127.03981	3.1
131.03481	2.1
135.04485	5.9
136.40408	1.8
138.03247	1.8
143.03418	2.1
148.27121	1.6
149.02402	2.2
151.00394	4.0
153.05504	2.1
159.90364	1.6
161.02438	3.9
161.04544	3.9
163.03944	11.6
164.04730	10.7
165.05498	5.2
166.02672	11.8
175.03949	1.8
176.04778	6.7
177.01964	2.1
178.06335	7.5
179.03456	10.1
179.05531	8.5
179.07088	20.4
181.05049	13.1
187.03946	2.5
191.03523	9.8
191.05576	76.0
191.07080	4.8
192.04216	2.4
192.05830	2.5
193.05034	6.1
193.08830	1.9
194.05785	7.6
203.03410	4.6
204.04248	2.8
205.05037	4.5
206.05774	3.7
207.02815	2.7
207.77013	2.1
209.06477	2.4
209.07008	1.7
209.08255	12.1
221.08194	4.2
222.05310	2.4
234.05254	3.5
237.07681	4.9
238.04788	2.8
247.02467	4.1
249.07616	5.5
261.07608	2.2
262.04733	5.0
265.07114	41.6
266.07501	2.0
277.07074	13.0
279.08652	2.4
295.08173	33.3
325.09164	7.7
341.10849	32.8
355.06348	1.8
355.10403	9.4
383.09619	4.0
401.10803	100.0
402.11026	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	401.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69405	0.6
55.01868	1.0
57.03445	0.7
58.00578	1.8
59.01373	100.0
60.01712	1.4
61.21980	0.5
71.01376	29.3
71.63654	0.6
72.23336	0.6
72.99283	1.3
73.02940	32.8
74.03284	0.6
83.01377	8.8
85.02947	6.7
87.00871	1.4
89.02431	16.0
91.80757	0.6
95.01393	2.1
96.96916	0.7
97.02973	0.7
99.00892	0.8
101.02435	28.0
113.02439	14.2
119.03555	4.7
119.05013	17.1
123.04549	1.2
125.02477	1.4
131.03496	1.2
135.04517	31.2
136.04842	1.7
137.06107	0.8
140.79240	0.6
143.03525	2.3
146.03748	1.8
149.04579	2.3
153.05551	1.1
161.04564	6.0
161.05945	1.3
164.04814	1.3
164.13191	0.7
173.95088	0.6
177.34663	0.6
179.05653	1.0
179.07127	7.3
221.06694	0.9
270.25751	0.6
281.10266	18.6
282.10852	1.0
297.09781	10.8
297.12872	0.8
298.10245	0.9
299.11197	5.3
315.10822	26.2
316.11395	1.8
341.12372	6.4
342.12717	0.7
357.11865	26.5
358.12372	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	401.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79567	1.4
55.01878	1.9
56.45245	1.8
59.01371	21.8
60.68189	1.5
69.03432	1.9
70.47219	3.5
70.47554	2.1
71.01376	19.6
72.99289	3.5
73.02933	7.2
81.03445	1.9
83.01372	2.0
85.02927	13.9
87.00867	62.4
89.02432	21.4
93.03419	2.2
97.82742	1.7
99.00868	2.6
101.02410	11.6
109.02917	1.8
113.02433	7.7
119.03486	6.3
123.00872	3.6
126.35022	2.0
127.03981	3.1
131.03481	2.1
135.04485	5.9
136.40408	1.8
138.03247	1.8
143.03418	2.1
148.27121	1.6
149.02402	2.2
151.00394	4.0
153.05504	2.1
159.90364	1.6
161.02438	3.9
161.04544	3.9
163.03944	11.6
164.04730	10.7
165.05498	5.2
166.02672	11.8
175.03949	1.8
176.04778	6.7
177.01964	2.1
178.06335	7.5
179.03456	10.1
179.05531	8.5
179.07088	20.4
181.05049	13.1
187.03946	2.5
191.03523	9.8
191.05576	76.0
191.07080	4.8
192.04216	2.4
192.05830	2.5
193.05034	6.1
193.08830	1.9
194.05785	7.6
203.03410	4.6
204.04248	2.8
205.05037	4.5
206.05774	3.7
207.02815	2.7
207.77013	2.1
209.06477	2.4
209.07008	1.7
209.08255	12.1
221.08194	4.2
222.05310	2.4
234.05254	3.5
237.07681	4.9
238.04788	2.8
247.02467	4.1
249.07616	5.5
261.07608	2.2
262.04733	5.0
265.07114	41.6
266.07501	2.0
277.07074	13.0
279.08652	2.4
295.08173	33.3
325.09164	7.7
341.10849	32.8
355.06348	1.8
355.10403	9.4
383.09619	4.0
401.10803	100.0
402.11026	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	401.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28836	1.0
57.03461	1.2
59.01372	21.0
62.31135	1.3
68.71222	1.1
69.39067	7.5
71.01371	12.8
72.34946	1.1
73.02922	2.8
78.25057	1.2
83.01359	1.3
85.02950	15.0
85.74763	1.1
87.00865	19.2
89.02430	16.5
93.03438	1.5
99.00886	1.7
101.02434	7.4
113.02438	5.4
119.03476	4.5
127.03975	2.1
129.01924	1.5
131.03494	2.5
131.38239	1.2
132.38486	1.2
135.04497	1.5
161.02464	2.1
161.04533	2.4
163.03984	2.6
164.04738	2.5
166.02699	3.1
178.06343	1.8
179.03459	2.2
179.05591	6.9
179.07129	7.6
181.05066	3.2
191.05585	100.0
192.05963	4.8
193.05055	1.6
194.05783	2.4
203.03412	1.6
205.05013	1.8
209.08191	1.9
219.03038	2.3
221.04607	1.7
262.04669	2.1
265.07123	12.9
277.07184	5.5
295.08203	9.7
341.10849	31.3
342.10950	2.1
355.10236	2.6
401.10815	27.1
402.11182	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36179	7.7
59.01372	69.6
60.98262	6.9
69.22633	70.5
70.54079	8.1
71.01358	20.8
73.02916	9.3
78.31425	7.3
89.02417	9.8
101.02417	19.2
119.04990	12.9
121.02937	53.7
159.11751	19.4
179.05661	9.2
195.63052	8.4
203.10748	100.0
204.11060	9.6
225.05569	10.3
261.33179	7.4
281.10208	26.8
293.55841	7.6
401.08563	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	401.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50300	1.8
59.01372	100.0
59.38453	2.0
62.82504	1.8
69.25347	2.1
69.25533	3.0
69.25866	17.2
69.26199	3.2
71.01370	30.5
73.02940	25.3
83.01369	6.4
85.02937	8.9
89.02431	15.3
97.12836	1.7
98.19778	3.1
101.02428	28.9
113.02434	13.4
119.03521	4.3
119.05015	24.3
143.03426	3.6
149.04506	2.5
161.04536	7.3
178.16318	1.9
187.61206	1.8
192.24890	1.6
281.10269	33.0
282.10614	2.7
299.11313	7.2
341.12418	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16247	0.6
59.01373	100.0
60.01709	1.6
61.98833	2.2
62.38649	0.6
65.59544	0.7
68.22814	0.6
69.34290	1.1
69.34695	4.2
71.01379	1.9
72.62330	0.6
75.00893	0.7
79.75411	0.7
82.10876	0.6
89.02443	1.0
135.04486	1.2
145.02989	0.7
146.03725	20.2
146.04843	1.2
147.04169	2.0
149.02481	2.0
161.04733	1.1
161.06062	7.8
164.04781	17.7
165.05150	1.1
179.07111	61.9
180.07477	2.9
203.10759	0.7
221.11742	0.8
223.06116	2.1
246.00256	0.8
294.75592	0.7
325.29272	0.7
363.11002	0.6
377.98212	0.7
402.54788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.2
57.03439	4.5
58.00589	1.2
59.01374	37.4
60.01700	0.7
61.12862	0.8
64.21196	0.7
69.03433	1.9
71.01373	84.4
71.16428	1.5
72.01704	1.7
72.99297	2.1
73.02940	35.9
73.79840	0.7
74.03259	1.0
75.00858	2.8
80.32452	0.6
81.03452	1.2
83.01369	14.3
85.02942	36.9
85.75887	0.7
85.81316	0.7
86.03265	1.0
87.00864	5.1
89.02434	15.8
93.11507	0.7
94.13641	0.7
95.01362	6.5
97.02948	4.6
99.00867	16.7
99.04507	1.1
101.02429	68.8
102.02789	1.4
107.05058	0.9
111.00860	1.7
113.02435	31.1
113.03236	1.6
115.03998	2.8
125.02440	6.4
129.01932	2.0
131.03516	3.4
135.04431	1.1
143.03458	4.0
149.02422	1.8
149.04529	2.6
159.02965	8.2
160.73564	0.7
161.04539	45.4
162.04877	1.6
164.04662	0.9
179.05647	0.9
191.05544	2.0
195.05008	0.8
199.73593	0.7
205.03442	0.8
215.05707	0.8
223.06155	2.0
233.06654	7.6
247.28725	0.8
269.10260	93.3
270.10632	5.2
274.57513	0.7
293.08673	5.0
401.14474	100.0
402.14670	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	401.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94556	0.6
59.01373	100.0
60.01715	0.7
68.98636	0.6
70.10829	2.5
146.03725	21.1
147.04092	1.0
161.06038	6.1
164.04762	15.5
174.47180	0.6
179.07111	66.3
180.07397	3.4
202.90118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01710	1.2
61.98822	2.8
64.11590	1.0
71.01374	17.5
71.60927	1.2
72.99332	1.2
73.02936	6.9
77.48999	1.5
83.01372	2.8
84.99203	1.3
85.02932	7.8
89.02435	6.7
98.35414	1.1
99.00887	2.0
101.02436	13.3
113.02444	8.3
119.03522	2.1
119.05027	4.5
121.02937	2.7
135.04460	1.3
148.07635	2.6
161.02423	1.4
161.04530	9.3
164.07140	8.6
176.07141	2.3
178.08669	3.1
179.07047	1.7
188.07146	1.8
194.08145	1.4
197.11879	1.4
203.18184	1.1
208.09731	3.3
220.09830	1.4
238.10852	3.7
263.22299	1.1
281.10214	3.2
282.09857	1.3
303.72739	1.0
309.20331	1.4
315.18176	6.5
316.18469	1.0
327.21701	2.1
329.23444	1.2
341.10870	2.2
380.14304	2.1
390.52316	1.2
401.08548	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	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26148	0.5
57.03445	1.3
59.01370	5.2
60.99287	0.6
61.18047	0.5
67.01881	5.0
69.03455	1.0
69.39826	4.0
69.40228	0.8
71.01366	5.3
73.02941	1.4
81.03467	0.9
83.05009	1.2
85.02937	1.6
93.03446	28.2
94.03801	1.2
98.19840	1.1
101.02437	0.9
109.02941	1.4
111.00882	1.3
111.03799	0.7
111.04506	7.0
112.01239	0.5
113.02453	1.2
117.13279	0.5
119.05002	1.0
133.02937	1.0
135.04494	1.5
137.02420	5.4
150.56621	0.5
155.03458	6.4
157.07532	0.5
161.02385	1.5
165.12840	5.0
173.04518	100.0
174.04887	3.9
179.03526	1.5
183.13863	18.2
184.14200	0.8
191.05574	3.9
215.13156	0.5
227.12836	20.9
228.13121	1.3
379.13843	0.9
400.61716	0.6
401.13452	1.3
401.18091	16.8
401.63669	0.7
402.18436	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	401.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.25144	6.0
61.43161	5.3
61.98800	9.8
65.31104	5.2
69.19746	5.5
71.01380	22.5
71.61109	6.1
73.02944	11.3
78.95908	8.4
85.02944	7.6
89.02435	18.3
101.02441	23.4
113.02433	14.8
119.03509	9.6
119.05019	17.5
121.02947	40.1
139.65532	5.4
145.82268	6.6
161.04491	7.5
179.05504	7.7
187.65686	5.6
281.10248	19.7
299.11502	6.9
341.10745	14.8
386.19553	5.9
401.22885	9.9
402.95941	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	401.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07963	7.0
59.01374	100.0
61.98827	14.5
71.01379	33.4
71.61198	8.7
73.02936	11.0
73.10527	6.2
73.10939	5.3
78.95908	18.1
81.26894	6.5
85.02960	11.4
89.02438	16.9
97.50414	5.7
101.02435	26.3
112.33604	5.8
113.02462	16.1
119.03461	7.9
119.05030	20.3
121.02967	52.8
266.66925	6.1
281.10178	35.3
313.07019	14.4
341.11035	21.6
401.08533	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	401.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.98822	19.8
63.00460	4.5
69.58592	9.1
69.58994	27.5
71.01373	25.7
72.99351	6.0
73.02931	16.0
76.42480	4.7
83.01394	7.2
85.02957	8.2
87.00858	5.5
89.02438	22.1
89.51792	4.0
95.65929	4.8
96.95950	4.8
99.00847	4.7
101.02418	21.3
102.27884	4.3
103.86946	4.4
112.36745	5.2
113.02419	13.6
119.03506	11.3
119.05017	19.2
121.02935	67.3
161.04564	5.5
179.05504	5.9
181.06688	4.8
255.76646	4.4
260.56192	5.1
281.10196	26.9
313.07065	18.9
341.10922	16.4
357.06119	7.8
376.60492	4.5
401.08728	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	401.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98812	6.1
68.71052	2.8
70.07517	9.2
71.01385	20.2
73.02927	8.3
73.83615	3.0
83.01386	5.4
84.04531	7.8
85.02931	5.3
88.27954	2.9
88.44448	3.0
89.00798	3.3
89.02435	11.9
99.71133	2.8
101.02417	18.8
113.02474	10.7
119.03442	3.4
119.05006	14.1
121.02938	41.7
137.06068	10.6
139.39574	3.3
152.49031	3.4
161.04561	5.6
179.05525	3.8
206.08347	4.2
225.05565	3.8
281.10239	16.7
313.07111	10.5
341.11115	13.4
401.08716	10.7
402.10425	4.4
402.15213	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	401.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54102	0.7
55.01871	0.8
57.03425	1.4
58.00589	4.4
59.01373	100.0
60.01701	1.4
61.98828	1.9
71.01374	57.7
72.01694	1.3
72.99301	4.1
73.02938	4.0
73.98301	1.0
74.34840	0.8
75.12820	0.8
83.01372	3.4
85.02940	11.7
87.00864	2.4
89.02431	74.6
90.02749	0.9
90.44958	0.8
95.01382	3.3
101.02431	35.8
113.02435	25.8
119.03490	28.3
119.04982	3.3
131.03497	2.4
135.04463	0.8
136.40433	0.8
137.05986	1.0
143.03479	4.4
149.04541	1.8
161.04495	4.3
162.14569	0.9
179.05583	4.5
185.54181	0.8
254.04948	0.8
281.10223	3.0
341.11197	2.4
357.22845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69079	0.3
53.63430	0.3
55.43873	0.3
59.01355	1.3
61.98816	0.4
69.45753	0.3
70.93746	0.9
91.28162	0.4
93.03466	0.6
100.87513	0.3
101.02411	0.4
121.02941	100.0
122.03261	3.8
279.23364	2.3
333.29984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01694	1.0
61.98800	0.4
69.24313	4.1
69.29941	0.4
71.01365	0.9
75.00874	1.5
75.88620	0.4
85.02907	0.5
89.02401	0.5
101.02439	0.4
102.05597	90.6
103.05934	1.6
113.02452	0.6
117.01897	0.6
121.02943	5.3
126.34453	0.4
132.64230	0.4
177.37576	0.4
177.39035	0.4
179.07074	0.9
209.42628	0.4
238.21756	2.1
239.22099	0.4
239.57669	0.4
283.27588	2.5
297.29138	1.0
301.63568	0.5
313.07147	1.3
327.26239	0.5
341.10535	0.6
341.27866	1.9
401.08688	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	402.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83809	0.8
53.75526	1.0
55.43810	0.8
57.94945	0.9
59.01369	10.3
66.03474	3.1
67.01883	1.9
68.99807	1.4
71.01379	1.7
73.78511	0.7
78.60381	0.9
78.95901	0.9
81.07874	0.8
85.02959	1.0
85.42717	0.9
89.03954	2.9
91.05505	1.9
93.03439	3.8
101.02465	1.1
106.06614	13.6
107.05001	2.3
113.02380	1.0
117.03453	2.9
118.06608	11.5
119.05014	13.4
120.04553	1.7
120.08167	1.0
121.02958	1.3
121.06586	2.5
124.04029	4.1
127.04001	2.0
132.04532	3.0
132.08173	1.4
133.02911	1.8
133.06586	1.3
134.06091	1.6
135.04510	29.5
136.07648	8.1
137.02415	1.1
137.06062	2.6
138.05505	1.1
138.67867	1.1
145.02917	2.6
146.06105	20.1
148.07663	15.9
149.04755	1.1
149.05966	1.6
149.07884	0.9
150.05574	2.7
151.07661	1.1
153.05510	2.7
158.06100	2.0
161.02417	18.5
161.04700	1.9
162.05486	1.0
164.07138	100.0
165.07477	4.0
173.04718	1.0
173.90312	0.9
176.07140	22.7
178.08698	32.4
179.03496	2.5
179.07091	14.3
179.09003	2.6
188.07140	12.4
194.08176	16.1
195.06590	4.6
195.08409	1.0
205.01326	2.2
206.08136	7.6
208.06143	3.4
208.09749	39.6
208.11722	2.0
209.10080	2.7
209.11853	2.1
220.07642	1.0
220.09753	19.2
221.10031	1.3
221.92923	0.9
223.02538	1.3
238.10811	38.3
239.11105	3.3
252.08673	0.9
260.02283	1.0
282.09735	11.8
283.10004	1.0
311.09534	1.2
343.08197	1.5
402.14993	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	402.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	11.4
61.98817	4.3
66.03483	2.8
67.01893	0.9
69.46957	6.3
71.01381	4.2
73.02911	2.2
75.00880	1.3
85.02941	2.3
87.00890	1.1
89.02439	2.1
92.05040	1.1
93.03446	2.0
101.02431	4.0
106.06606	15.6
113.02431	2.4
118.06616	10.0
119.05013	14.7
120.04512	2.7
120.05325	1.2
120.08133	1.5
121.02939	3.9
121.06607	1.5
124.04015	4.9
132.04530	3.4
132.08186	1.7
133.02928	2.1
134.03566	1.2
134.06140	2.2
135.04503	11.5
136.04822	1.4
136.07668	9.0
137.06038	2.2
138.05574	0.9
138.50432	1.1
145.02893	2.3
146.06097	18.7
148.04002	1.0
148.07666	17.2
149.06030	2.3
150.05577	2.7
151.07645	1.5
154.08687	1.9
155.10699	1.1
161.02365	4.9
161.04736	2.1
162.02731	1.2
162.05577	1.0
163.06332	1.6
164.07143	100.0
165.07454	3.1
176.07150	21.7
177.07442	2.1
178.08701	31.2
179.03445	5.3
179.07117	9.2
179.08684	1.5
188.07118	7.5
194.08183	15.2
206.08156	6.4
207.08443	1.1
208.06117	3.3
208.09746	42.6
209.10089	1.4
220.09731	15.2
221.09981	1.4
226.05811	0.9
238.10788	24.5
239.11151	1.1
243.59996	0.9
266.10275	1.8
282.09814	48.3
283.10132	5.0
311.59781	1.8
402.09128	1.2
402.14380	9.5
402.22049	3.2
402.64456	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	402.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28582	3.9
56.18642	3.7
57.98951	4.0
58.53942	3.8
59.01384	7.2
59.88223	3.4
61.98822	100.0
64.40377	4.0
67.04020	4.0
69.65945	26.0
70.15546	4.0
77.00155	3.6
171.78989	4.1
171.99583	4.6
204.16847	3.8
227.71063	4.6
339.23270	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	403.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50639	0.2
59.01371	10.8
61.98827	2.2
63.02393	1.0
64.53162	0.3
65.00317	0.5
65.03953	0.9
67.01872	1.6
68.77973	0.3
68.99811	0.5
69.03452	0.4
70.80317	0.7
71.01375	0.5
75.02385	0.4
81.03448	0.3
89.02464	0.6
89.03962	13.1
90.04301	0.5
91.01881	1.3
91.05521	8.8
92.05858	0.4
93.03445	10.2
94.03804	0.5
101.02425	0.4
105.03494	0.7
107.05019	5.3
113.02503	0.4
117.03455	9.8
119.04994	0.4
121.02943	1.3
133.02937	4.1
135.04507	100.0
136.04842	4.0
137.02383	0.4
137.06062	1.3
138.05592	0.6
139.00302	0.3
139.05855	0.4
145.02928	0.9
145.60803	0.3
146.95125	0.3
151.03909	0.5
161.02422	63.4
162.02773	3.1
179.03468	5.8
181.01447	0.5
205.01384	10.1
205.19356	0.3
211.13341	0.3
223.02429	1.2
241.10612	1.1
266.10068	0.5
267.10590	0.7
284.11392	0.9
285.09534	0.8
299.09183	1.7
329.23425	0.6
343.08182	3.6
344.08527	0.5
403.10657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88898	1.5
57.42372	1.6
58.27228	1.5
59.01373	16.8
67.01888	2.1
68.02190	1.7
69.03449	1.7
69.61450	3.9
69.61869	6.7
71.01369	7.8
72.99303	4.8
73.02937	22.6
74.80087	1.3
80.05032	1.8
85.02951	2.9
87.00860	18.4
89.02442	7.0
93.03436	8.2
95.01324	1.9
98.19868	3.0
99.00861	1.7
100.36291	1.8
101.02443	5.9
104.05039	1.5
105.40734	1.6
107.05003	2.6
108.04494	2.0
109.02990	1.8
111.00874	1.9
113.02421	3.4
119.03498	2.7
119.05010	2.7
121.02937	5.2
122.06120	7.4
123.04538	2.2
124.01659	1.8
127.00357	1.6
127.03954	1.7
129.01950	2.9
130.02979	2.8
132.04547	17.1
134.03716	2.7
135.04495	11.5
139.00345	5.9
147.03250	5.3
147.04523	4.9
148.04030	3.6
150.05617	4.0
151.03918	2.1
158.02444	13.1
160.04044	10.4
161.04675	2.4
162.05585	7.5
163.04091	2.4
166.02646	1.8
173.04486	10.9
174.05566	1.6
175.02745	6.2
176.03508	13.4
176.07138	2.2
179.05672	1.7
179.10703	2.9
188.04851	2.9
189.05457	1.9
190.05069	17.6
191.05736	2.9
192.86284	1.6
196.11259	2.6
204.02994	5.4
209.07268	2.5
210.08002	1.7
211.12407	4.9
215.11880	2.4
220.02495	3.5
220.06111	3.7
223.08797	3.1
224.09453	12.9
226.07452	1.6
227.08179	6.5
229.14395	24.5
234.03987	5.1
237.09140	5.0
239.08209	1.9
239.11861	24.7
240.10197	5.4
241.09642	7.7
243.11366	3.4
250.07675	1.8
253.06129	15.3
253.08704	4.3
255.07631	5.0
255.11351	3.0
265.09772	4.5
267.07663	4.8
268.08444	10.1
269.09363	3.9
271.07181	3.7
271.10693	1.5
281.08881	8.1
283.10828	52.4
284.11133	5.4
294.06335	2.6
299.09189	8.9
300.09567	2.2
309.08746	18.7
313.07263	2.3
315.08618	3.1
315.13586	1.8
325.07303	3.4
327.09805	100.0
328.09918	15.2
341.11337	4.8
343.08209	5.1
343.11841	15.5
353.07675	4.7
359.12354	3.6
361.09177	4.8
371.08798	66.8
372.09018	7.4
373.08914	2.4
373.12970	5.3
385.10410	3.5
388.11710	3.2
403.11340	34.7
403.19736	10.5
404.11176	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	403.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67836	1.7
58.00680	1.3
58.41670	1.3
59.01367	3.0
69.69920	8.5
71.01341	1.8
79.14654	1.3
80.05041	2.6
83.41335	1.4
85.98536	1.4
104.05064	1.8
108.04571	2.3
116.05084	1.4
122.06102	10.4
124.07655	2.7
130.02960	4.3
131.03688	1.9
132.04526	20.0
135.04514	2.6
146.02415	2.8
147.03230	3.3
148.03857	1.3
150.05556	3.5
158.02461	12.1
160.03992	10.3
161.04738	1.8
162.05571	4.9
174.05537	2.0
176.03493	8.9
176.07147	3.6
184.07698	2.0
185.07286	1.6
190.05086	21.1
191.05566	1.4
192.06535	1.6
199.04994	1.3
209.07121	1.7
211.08665	2.0
211.12332	4.4
212.05817	2.9
212.10715	3.3
215.11880	5.0
220.02470	3.1
223.08771	4.8
224.07335	2.6
224.09467	18.4
225.08110	2.1
226.07472	4.6
227.08295	6.8
234.04050	4.1
235.85519	1.4
238.08940	1.6
239.04527	2.4
239.08232	4.0
239.11864	32.3
240.10161	6.5
240.12383	2.8
241.09717	10.8
250.07431	2.7
253.06160	30.1
254.06712	2.9
255.07634	3.0
255.11317	8.7
256.08502	2.3
265.09750	3.1
266.06949	1.6
267.07693	9.2
268.08453	13.7
281.09357	6.5
283.10834	72.7
284.11176	7.1
309.08789	20.2
310.08929	1.6
311.06604	1.4
315.13412	2.2
327.09802	100.0
328.10123	8.8
341.11307	3.4
353.07574	3.9
359.12421	6.0
360.92993	1.3
371.08801	76.5
372.09094	8.5
403.11395	59.0
403.19183	2.1
404.11749	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	403.124
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
52.55403	2.0
56.10704	1.8
57.03423	1.9
58.00552	1.9
59.01374	100.0
59.54794	1.8
59.73166	1.7
60.01704	2.4
61.98826	19.6
62.87110	1.8
65.27243	1.6
69.03463	2.1
70.92387	5.3
71.01373	38.7
71.56618	1.7
72.99318	12.0
73.02949	4.9
75.00858	6.4
83.01405	2.7
85.02930	6.3
87.00861	11.8
89.02433	62.6
91.92181	1.8
93.03436	2.4
95.01357	2.3
96.96008	7.8
101.02437	25.3
105.01920	23.8
113.02431	19.3
119.03494	24.9
121.02927	3.6
123.04505	2.9
130.58621	1.7
131.03473	3.3
135.04489	5.5
137.02414	5.3
138.03220	2.7
139.04013	2.4
143.03506	2.4
149.02434	6.5
149.04512	3.6
149.72765	2.2
151.03905	2.0
153.05534	5.5
161.02437	2.8
161.04478	4.7
164.04732	5.6
165.01895	5.3
166.02686	3.7
166.06441	2.1
179.05643	15.8
180.04341	2.4
181.05032	14.6
191.05493	2.6
195.06433	2.3
208.03749	3.3
223.06079	8.6
241.07123	15.2
241.10815	6.9
297.09665	3.3
315.10757	8.0
341.09036	3.1
343.10312	5.1
403.11859	11.3
403.16687	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	403.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35056	1.4
58.00581	3.6
59.01372	100.0
68.99809	11.1
69.03444	6.6
69.94535	1.7
70.93729	3.8
71.01378	57.7
72.01730	1.8
72.99275	4.2
73.02928	4.7
77.77130	1.8
83.01368	2.4
85.02925	11.0
87.00883	2.9
89.02437	79.4
95.01369	2.0
95.04987	3.4
99.00878	3.7
101.02438	36.8
113.02429	19.5
119.03483	22.9
121.02895	3.3
121.06551	2.1
123.04523	2.4
129.09125	2.2
131.03497	2.5
137.06064	3.4
143.03383	3.2
147.02924	1.5
161.04474	2.8
161.09760	1.6
165.05511	5.5
179.05566	6.4
179.06987	2.6
185.51279	2.1
197.08145	13.5
202.01544	1.8
223.06061	7.5
241.10739	6.0
242.66457	1.9
248.51831	1.9
253.04617	4.5
359.13461	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
58.00572	5.4
59.01374	100.0
59.01671	5.6
61.98797	2.7
62.86250	2.4
68.99817	14.7
69.03450	13.6
69.38235	19.4
71.01373	62.8
72.99292	5.4
73.02945	3.1
85.02945	11.4
87.00853	6.2
89.02437	79.7
90.28197	2.5
95.01390	5.7
95.05010	6.5
98.20601	5.0
99.00879	4.9
101.02431	46.9
102.02753	3.0
111.00861	3.6
113.02423	25.5
119.03487	27.3
119.04980	2.4
121.02970	15.1
127.03988	7.5
131.03484	2.6
135.04463	2.2
139.10263	2.6
143.03452	6.4
147.04430	2.8
149.02435	2.8
153.05544	2.6
161.04565	3.3
173.04506	4.5
179.05598	9.1
191.03444	2.3
191.05481	2.8
197.08086	3.7
212.87318	2.9
223.06068	18.5
224.06543	3.2
270.10593	3.1
271.10840	4.7
299.09073	4.1
329.02063	2.5
403.10913	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	403.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.7
59.01373	67.6
67.01880	5.1
68.99811	9.0
69.03448	25.4
70.19459	1.3
70.66715	2.0
70.67029	2.2
71.01376	46.1
72.99297	3.0
85.02945	7.1
87.00879	3.2
89.02435	78.8
90.02726	2.2
93.03423	1.5
95.01383	4.3
95.05013	32.4
99.04530	2.6
101.02430	46.1
111.00883	15.3
113.02444	20.1
119.03495	29.5
119.04996	2.8
121.02941	100.0
121.06612	5.0
122.03307	3.0
123.04519	23.2
127.04018	11.2
131.03484	3.1
137.06068	2.0
139.00363	17.4
139.03996	1.8
143.03511	5.5
146.47041	1.4
147.04512	6.6
149.02432	4.2
149.04500	2.5
161.04532	6.1
165.05560	33.3
166.05949	1.9
176.90202	1.4
179.05592	18.2
179.07117	7.7
181.05031	6.2
181.90295	1.3
191.03418	3.4
201.44705	1.3
209.04518	1.7
223.06102	25.5
224.06473	1.7
270.86514	1.4
309.55658	1.3
371.09747	37.4
372.10040	3.8
403.12360	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	403.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	4.1
59.01373	100.0
65.52946	2.0
67.01884	7.5
68.99821	15.5
69.03445	25.9
70.19418	6.8
70.19776	2.3
71.01371	59.9
72.99297	2.2
85.02937	11.7
87.00861	3.6
89.02436	80.1
95.01369	4.7
95.05015	31.1
98.19896	3.6
99.00869	1.9
101.02433	48.9
111.00865	17.3
113.02443	21.9
119.03495	22.9
119.04962	4.0
121.02948	88.6
121.06577	2.3
122.03294	3.4
123.04524	22.0
127.03988	9.6
130.26868	2.2
131.03476	2.4
137.06093	4.4
139.00371	13.1
143.03526	3.8
147.04506	2.6
149.02368	3.7
149.04524	3.0
161.04550	3.7
165.05530	16.1
179.05580	15.4
179.07120	5.0
181.05025	3.8
191.03430	3.5
196.19362	2.2
199.65858	1.7
223.06096	19.5
371.09732	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	403.124
Annotation	Secologanoside 7-methyl ester
Peak:m/z	Relative Intensity
55.01888	1.0
57.03441	1.9
58.00583	3.0
59.01373	100.0
60.01711	0.9
61.98817	1.7
67.01878	6.9
68.99809	12.8
69.03447	11.6
69.25151	3.9
69.25582	4.0
71.01374	51.4
72.99310	4.9
73.02951	2.2
77.03938	0.7
78.50392	0.7
83.01389	2.7
85.02939	8.9
87.00871	3.4
89.02433	70.3
90.02758	1.1
93.03464	1.4
94.05869	0.8
95.01368	5.3
95.05013	17.0
98.19912	1.7
99.00881	2.6
101.02432	47.0
102.02786	1.6
107.05016	3.9
109.51006	1.0
111.00875	5.3
113.02438	20.3
117.97290	1.8
119.03497	27.2
119.04910	6.3
120.03827	0.9
121.02953	10.6
121.06580	2.1
122.03723	1.8
123.04528	3.7
127.03998	15.7
128.82564	0.8
131.03468	2.1
135.04510	5.4
137.06061	6.2
139.00357	12.7
139.04013	6.2
143.03508	4.0
147.04507	8.9
148.01657	0.7
149.02464	1.8
149.04553	1.8
150.03191	1.2
151.07643	2.2
153.01868	0.9
153.05576	3.1
161.04558	3.8
161.05971	1.6
163.04002	6.5
165.05516	6.1
179.05583	9.3
179.07123	17.3
180.04320	1.4
180.07404	0.8
181.05011	7.4
191.03468	2.8
195.06599	12.7
197.08182	2.6
207.06693	1.3
213.07591	0.9
223.06087	46.7
224.06438	2.5
239.09229	1.0
241.07140	8.2
283.04129	0.8
306.07520	1.0
333.08051	1.0
371.09662	5.2
403.12265	9.6
403.19864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83133	1.7
58.00578	4.3
59.01374	77.4
61.98824	89.2
63.99247	1.8
64.23446	1.9
66.67078	1.7
69.03436	7.7
71.01373	87.8
71.60872	1.9
72.99294	8.3
73.02918	9.8
75.00845	3.4
75.43676	1.8
78.95899	5.7
81.03452	3.2
83.01385	6.4
85.02936	21.5
87.00864	13.8
89.02434	100.0
93.03429	3.0
94.14497	2.2
95.01374	4.3
96.96009	13.3
96.96925	3.4
97.02951	10.6
98.10035	2.0
99.00877	12.9
101.02415	24.3
108.02156	9.3
109.02951	23.1
111.00861	3.3
113.02433	13.8
115.03982	5.2
118.98065	2.6
119.03474	5.7
121.02928	3.0
123.00864	3.0
123.04501	2.1
124.01618	2.6
125.02429	34.9
127.03933	2.2
131.03474	14.9
135.04492	2.8
137.02399	4.7
143.03481	4.7
149.02495	14.4
149.04532	18.4
151.03964	3.2
161.04503	6.4
164.04761	15.7
165.05318	2.7
166.02661	4.3
173.04520	4.2
179.05559	2.2
179.07057	23.0
181.04980	7.1
183.74033	1.9
191.01895	3.5
191.05592	19.1
218.75368	1.9
223.06152	4.6
233.06610	21.7
241.06926	2.7
293.08746	45.0
343.12015	6.3
343.16312	2.4
403.12015	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38340	0.4
59.01368	1.7
61.98823	100.0
71.01366	0.4
71.61094	0.6
89.02440	0.5
96.96060	0.6
100.04048	0.5
101.02450	0.5
112.04041	1.3
126.04038	0.4
132.03049	0.7
142.05133	0.4
148.04369	8.3
182.95624	0.4
284.11328	0.7
340.15829	14.0
341.16272	1.2
403.23260	0.9
403.30710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01711	1.3
61.98838	1.2
63.96183	0.4
67.01895	0.5
68.99814	1.4
69.03454	2.5
69.61590	2.4
69.61998	0.8
71.01376	12.0
72.99294	1.0
73.02938	1.5
83.01425	0.6
85.02932	3.8
87.00903	0.5
89.02438	11.5
89.21278	0.5
95.01398	0.5
95.05033	0.9
96.95995	3.4
99.00890	1.4
101.02429	8.4
106.15334	0.5
109.02949	2.2
113.02453	5.0
119.03500	3.1
119.04942	0.5
119.05784	0.5
121.02953	3.0
137.14215	0.5
138.07524	0.5
143.03494	0.8
159.03058	0.6
161.04529	6.3
166.06340	12.3
166.07640	0.9
167.06757	0.8
175.35432	0.5
179.05682	1.3
179.07127	0.9
181.05199	1.5
181.08688	13.4
182.08998	0.8
217.38710	0.5
223.06079	2.9
241.07054	0.6
245.50674	0.5
251.14099	0.6
276.42465	0.6
280.93048	0.4
343.14279	0.5
367.16086	0.7
403.13556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00870	0.9
57.03431	2.6
58.00584	1.4
59.01372	76.9
68.99818	1.1
69.03442	2.0
69.84788	3.9
71.01373	11.2
83.01392	1.5
83.05024	1.0
83.94740	0.9
85.02948	1.7
87.00871	2.5
89.02443	12.4
95.04999	2.9
98.19975	1.0
99.04502	2.5
101.02435	7.1
111.00916	1.3
113.02483	4.9
119.03485	3.7
119.08624	2.2
121.02938	5.8
123.04530	1.3
127.04049	1.0
128.26997	0.9
135.08165	1.8
135.11797	1.0
137.09674	5.5
139.00374	1.2
161.04547	1.2
161.09695	3.7
163.07588	2.0
165.05461	2.2
179.05609	2.1
179.10765	5.4
181.08667	13.4
193.12390	1.0
193.15735	0.9
197.11804	46.9
198.12157	1.5
223.06146	1.4
223.09586	6.0
229.14357	1.7
241.10780	100.0
242.11102	7.7
257.07364	1.1
283.11804	2.7
343.14108	1.3
371.09943	2.1
403.16040	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85600	1.2
57.03440	7.0
59.01091	1.6
59.01371	19.0
61.98830	8.4
67.01875	2.5
68.99805	2.1
69.03449	5.7
71.01369	21.8
72.99285	3.9
73.02931	2.1
75.00861	32.2
81.03439	1.7
83.01369	1.6
85.02940	14.6
85.06518	1.2
87.00868	13.5
89.02434	7.5
93.03441	15.3
95.04980	3.0
97.02927	4.5
99.00857	10.8
101.02410	4.1
111.00838	2.5
111.04507	4.0
113.02411	2.9
115.03996	2.0
121.02965	1.3
129.01932	21.6
130.08731	1.8
135.04486	2.9
137.02435	2.4
137.06079	1.8
141.01912	5.2
155.03487	2.3
159.02942	9.1
161.02371	2.5
163.11211	4.0
171.77435	1.2
173.04523	62.5
174.04848	4.4
175.02444	1.6
175.04990	1.9
177.04021	94.9
178.04333	3.7
179.03499	3.8
181.12363	5.9
195.05080	33.3
197.11665	2.1
212.76128	1.2
225.11269	24.8
226.11510	1.8
229.14369	4.9
249.11334	1.9
277.06223	2.0
285.13309	3.3
307.11938	1.4
385.14932	13.0
387.02795	1.4
403.15952	100.0
404.16263	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	403.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
59.01373	11.1
61.98811	0.7
65.40817	0.5
68.20205	0.6
69.53699	4.4
71.01367	8.5
72.99290	3.0
73.02943	1.0
75.00864	35.1
76.01179	0.8
80.22897	0.6
83.01364	1.0
85.02943	8.3
87.00877	2.7
89.02432	4.7
93.03462	1.9
97.02938	1.3
99.00870	9.1
99.90522	0.6
101.02415	1.9
111.00848	1.3
129.01929	15.3
129.09200	0.6
130.56752	0.6
141.01906	1.3
154.56892	0.6
159.02939	6.3
163.11258	1.4
165.07486	0.7
167.90085	0.7
173.04529	9.3
174.04858	0.8
177.04012	12.0
181.08714	0.8
181.12302	4.7
195.05069	100.0
196.05380	4.3
225.11287	31.4
226.11621	2.5
229.14513	0.9
285.13293	0.9
359.17181	0.7
385.15054	0.7
398.74265	0.7
403.15918	13.4
404.16547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00870	0.9
57.03431	2.6
58.00584	1.4
59.01372	76.9
68.99818	1.1
69.03442	2.0
69.84788	3.9
71.01373	11.2
83.01392	1.5
83.05024	1.0
83.94740	0.9
85.02948	1.7
87.00871	2.5
89.02443	12.4
95.04999	2.9
98.19975	1.0
99.04502	2.5
101.02435	7.1
111.00916	1.3
113.02483	4.9
119.03485	3.7
119.08624	2.2
121.02938	5.8
123.04530	1.3
127.04049	1.0
128.26997	0.9
135.08165	1.8
135.11797	1.0
137.09674	5.5
139.00374	1.2
161.04547	1.2
161.09695	3.7
163.07588	2.0
165.05461	2.2
179.05609	2.1
179.10765	5.4
181.08667	13.4
193.12390	1.0
193.15735	0.9
197.11804	46.9
198.12157	1.5
223.06146	1.4
223.09586	6.0
229.14357	1.7
241.10780	100.0
242.11102	7.7
257.07364	1.1
283.11804	2.7
343.14108	1.3
371.09943	2.1
403.16040	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01382	2.8
59.25959	0.4
60.99292	0.6
67.01881	2.9
69.03449	1.4
69.79482	0.4
69.80255	1.9
71.01372	4.5
75.00866	0.9
81.03434	0.6
81.07088	0.8
83.05035	1.0
83.61459	0.4
85.02946	1.2
85.06565	2.1
87.00855	0.8
93.03446	22.5
94.03757	1.0
98.19938	0.6
100.84079	0.5
105.01918	0.6
109.02938	0.6
111.00858	1.0
111.04500	4.2
111.08154	1.1
113.02476	0.6
129.01949	0.9
134.16978	0.4
135.04498	1.5
137.02431	3.9
155.03485	4.5
161.02400	0.5
173.04521	100.0
174.04877	4.0
175.04999	1.3
176.05188	0.6
177.03989	2.1
179.03508	2.0
200.09499	0.4
223.28625	0.4
225.11314	1.2
229.14400	7.4
230.14629	0.7
271.88800	0.6
277.06458	1.4
302.41629	0.4
365.80304	0.4
403.16248	1.3
403.20084	7.9
404.20013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95739	0.5
57.03430	1.0
59.01369	7.1
61.98812	1.1
65.03911	0.5
67.01894	4.3
68.99792	0.7
69.03447	1.8
69.30872	0.9
69.31287	3.7
71.01373	7.0
72.99287	0.6
73.02917	0.6
79.01894	0.4
81.03443	1.2
83.05014	0.9
85.02933	1.3
87.00863	7.1
89.02440	3.4
93.03447	25.3
94.03754	1.2
95.05010	1.6
99.04514	0.5
101.02442	4.0
109.02914	1.5
111.00878	1.6
111.04520	5.1
113.02441	1.6
119.03532	2.2
121.02942	2.6
122.06170	0.5
127.03992	1.2
129.01865	1.1
132.04575	1.5
135.04517	0.8
137.02406	5.5
139.00325	0.8
147.03290	0.8
149.02458	0.6
155.03500	5.4
157.08670	4.3
158.02443	0.6
160.04063	0.6
161.04541	0.8
164.04803	0.4
165.05559	1.1
173.04520	100.0
174.04837	3.6
176.03587	0.6
181.12279	3.9
189.53854	0.5
190.05052	1.4
193.12393	0.4
199.13405	2.3
211.13358	5.2
223.06029	1.1
223.13399	0.7
224.09583	0.7
229.14403	17.9
230.14775	1.4
239.11929	2.2
241.07365	0.7
253.06169	1.1
268.08438	0.7
283.10886	3.0
309.08853	1.5
327.09824	7.4
328.10297	0.8
359.11957	0.5
371.08856	5.3
403.11615	2.2
403.19678	19.2
404.20032	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95739	0.5
57.03430	1.0
59.01369	7.1
61.98812	1.1
65.03911	0.5
67.01894	4.3
68.99792	0.7
69.03447	1.8
69.30872	0.9
69.31287	3.7
71.01373	7.0
72.99287	0.6
73.02917	0.6
79.01894	0.4
81.03443	1.2
83.05014	0.9
85.02933	1.3
87.00863	7.1
89.02440	3.4
93.03447	25.3
94.03754	1.2
95.05010	1.6
99.04514	0.5
101.02442	4.0
109.02914	1.5
111.00878	1.6
111.04520	5.1
113.02441	1.6
119.03532	2.2
121.02942	2.6
122.06170	0.5
127.03992	1.2
129.01865	1.1
132.04575	1.5
135.04517	0.8
137.02406	5.5
139.00325	0.8
147.03290	0.8
149.02458	0.6
155.03500	5.4
157.08670	4.3
158.02443	0.6
160.04063	0.6
161.04541	0.8
164.04803	0.4
165.05559	1.1
173.04520	100.0
174.04837	3.6
176.03587	0.6
181.12279	3.9
189.53854	0.5
190.05052	1.4
193.12393	0.4
199.13405	2.3
211.13358	5.2
223.06029	1.1
223.13399	0.7
224.09583	0.7
229.14403	17.9
230.14775	1.4
239.11929	2.2
241.07365	0.7
253.06169	1.1
268.08438	0.7
283.10886	3.0
309.08853	1.5
327.09824	7.4
328.10297	0.8
359.11957	0.5
371.08856	5.3
403.11615	2.2
403.19678	19.2
404.20032	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	0.9
59.01373	14.0
61.98809	0.7
68.99802	1.9
69.03447	2.2
69.36282	2.8
69.36701	1.9
71.01371	7.2
72.99290	1.6
73.02911	0.7
81.03440	1.4
83.05013	1.4
85.02948	2.0
87.00860	3.4
89.02439	9.1
93.03450	4.8
95.04993	0.6
96.95985	0.9
97.60423	0.6
98.04398	0.6
98.19907	1.2
101.02428	4.7
111.04510	4.7
111.08138	2.2
113.02457	1.6
119.03484	2.5
119.04993	0.7
121.02944	1.0
127.03985	1.2
129.01903	0.7
131.03560	0.6
132.04492	0.7
135.04514	1.0
137.02425	1.6
147.04506	0.8
149.02408	0.7
155.03497	3.9
157.08676	20.1
163.11182	0.7
167.14349	1.0
173.04523	11.0
179.05525	1.1
181.12302	15.8
182.12698	1.1
190.05136	0.6
191.05602	1.4
193.12305	2.5
197.08211	0.7
199.13364	12.5
200.13617	1.0
211.13342	25.0
212.13692	2.2
222.26949	0.6
223.06116	1.4
229.14400	100.0
230.14719	5.7
243.15106	0.6
283.10852	2.3
284.59656	0.6
299.09106	1.0
309.08047	0.6
325.06943	0.5
327.09775	4.3
333.07303	0.5
340.09512	0.7
342.67661	0.6
343.08334	1.0
355.11884	1.9
371.08923	2.1
403.11032	1.2
403.15158	1.1
403.19675	27.3
404.20056	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	403.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04817	15.2
59.01104	18.2
59.01366	100.0
61.98819	78.0
64.70465	14.3
71.61870	22.5
89.02456	18.8
95.19392	15.9
194.98282	14.3
195.27905	17.0
217.55434	14.0
226.14900	15.4
232.53105	16.4
244.94759	16.1
284.11395	31.2
403.24911	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	87.6
61.98824	55.5
69.58224	100.0
77.33405	15.9
95.21461	17.1
141.00545	19.2
150.69388	20.9
163.81290	16.4
284.11465	38.9
403.24881	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98825	53.8
64.07167	20.5
71.42787	26.4
71.61706	31.5
153.31528	22.2
205.30295	24.0
221.80382	22.3
294.29556	32.1
309.70132	22.6
403.28391	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72730	14.6
59.01375	61.3
61.98824	40.4
69.32037	100.0
87.00854	54.6
88.00385	15.1
91.15452	12.4
93.56903	13.9
239.82353	17.3
270.70627	14.3
283.19055	14.3
367.13828	16.1
375.11838	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	403.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48887	13.3
54.37019	11.4
57.12162	12.3
59.01379	63.3
61.98813	45.6
69.34739	100.0
91.14361	11.0
120.00901	14.2
227.49307	14.2
283.19031	35.7
419.53513	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	404.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	1.7
59.01373	23.2
60.01704	1.7
61.98821	39.3
69.58548	7.5
69.58961	2.3
71.01383	7.3
71.42799	1.3
72.33130	1.2
78.95893	1.6
84.01672	1.3
85.02905	1.7
89.02454	6.5
101.02429	4.2
113.02411	2.0
119.03459	1.6
120.99614	3.2
123.04630	1.4
133.02945	19.5
135.04514	7.3
149.06042	1.9
161.02419	100.0
161.34227	1.2
162.02740	4.5
163.60500	1.3
179.03491	21.9
181.07076	2.2
252.73303	1.3
252.77069	1.3
263.47720	1.3
341.08685	53.1
342.09012	4.9
385.10547	1.3
391.79953	1.4
404.16434	10.4
405.17001	2.0
411.79449	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.4
60.01711	1.6
61.01807	1.4
61.98824	100.0
65.99335	0.5
69.48341	4.0
71.01382	2.8
72.21922	0.5
73.02941	0.7
85.02964	0.9
87.00861	1.0
89.02438	2.5
96.96018	1.7
101.02426	2.6
113.02464	1.5
115.00363	1.1
119.03500	1.0
135.04561	1.0
139.99374	0.5
146.03734	0.6
147.04102	0.9
155.01727	1.2
156.68932	0.5
161.04509	0.6
165.05174	0.6
173.04666	0.6
175.02452	3.9
179.03542	1.0
179.07129	2.6
180.07419	2.9
180.29520	0.6
181.07715	0.8
182.07857	0.9
203.71909	0.5
210.99921	0.5
236.72015	0.6
240.01634	0.5
305.85690	0.5
341.08621	0.6
367.96472	0.6
368.16458	0.6
404.14240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32536	0.3
59.01373	5.8
59.98510	0.3
61.98825	1.9
62.48790	0.3
63.59632	0.3
64.38425	0.4
65.03860	0.3
66.03476	0.8
68.99830	0.3
69.03429	0.7
71.01373	0.6
77.72432	0.3
82.02975	1.2
83.01373	1.5
83.68330	0.4
85.02935	0.6
86.39632	0.3
92.03407	0.3
92.05054	0.6
93.03442	1.0
94.03021	0.3
94.03774	0.6
95.05011	0.7
100.04005	0.4
101.02429	0.4
106.06618	2.4
107.05009	1.5
108.04538	3.7
112.04022	1.7
118.06617	0.7
120.04545	0.7
121.06581	0.8
122.02412	0.5
124.04021	1.5
132.08144	0.9
133.06616	0.7
134.06105	5.7
134.09756	0.6
135.04510	0.5
136.04024	0.7
136.07664	4.2
137.05069	0.6
137.06068	7.9
138.05573	0.8
139.03999	0.7
144.04509	1.1
144.06651	2.2
146.06091	1.6
147.28876	0.3
149.06007	0.5
150.05545	0.4
151.06366	1.9
151.07562	0.7
152.07135	2.3
160.07649	7.0
161.02419	0.3
161.07953	0.6
162.05573	1.0
163.06358	0.4
164.07146	2.4
166.05064	1.5
166.08714	3.8
167.76068	0.4
173.04506	2.5
174.04855	1.8
176.07146	0.5
177.07935	1.0
178.08707	13.2
179.03600	0.4
179.07079	1.3
179.08990	0.6
179.26308	0.4
180.06599	3.0
183.10243	12.0
183.13823	0.9
190.08676	1.5
192.10266	5.5
194.08263	2.6
195.05219	0.3
196.09758	11.6
197.10056	0.4
198.11342	1.4
199.13930	0.3
204.06648	0.6
205.05000	0.7
208.06351	0.3
208.09818	2.5
210.07672	1.3
222.07600	0.4
222.11426	0.8
227.12857	0.8
230.14871	0.3
234.07718	2.0
240.08849	0.5
240.12395	0.4
266.10397	0.5
284.11356	100.0
285.11691	7.7
404.17001	1.3
405.17487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45234	0.3
51.21873	0.3
55.34895	0.4
57.03430	0.5
58.00581	0.4
58.02959	0.6
59.01373	16.9
60.42984	0.3
61.98810	0.8
67.01893	0.3
68.99794	0.7
69.03432	0.9
71.01372	12.7
71.60554	0.4
71.60934	0.3
72.00903	0.5
72.99290	1.3
73.02926	1.9
74.02449	0.8
75.00848	1.0
78.91871	2.7
82.02956	1.5
83.01381	1.5
83.16527	0.3
85.02941	2.7
86.02464	0.5
87.00865	15.7
87.05619	0.3
89.02428	3.1
95.05016	0.7
96.04540	0.7
96.95995	0.5
96.96931	0.4
97.04033	0.5
98.02449	0.8
99.00894	0.5
99.05624	1.0
100.04023	0.6
101.02428	4.3
101.04296	0.7
102.86502	0.3
104.03507	3.4
108.04527	1.4
108.51002	0.3
109.02940	1.0
110.02496	0.5
110.09439	0.3
111.00852	0.7
111.05640	0.5
112.04039	0.5
112.39523	0.4
112.98820	0.4
113.02431	2.3
115.00356	34.2
116.00681	0.9
119.03483	1.1
121.02921	0.5
124.03986	0.8
126.05576	1.0
127.00344	0.9
127.04050	0.3
129.03754	1.1
129.06686	2.9
135.02962	0.5
135.04526	0.7
139.00357	0.4
139.99374	0.6
140.07132	0.6
143.04648	0.5
147.04672	0.6
152.03462	0.5
155.01697	1.4
155.08208	0.6
159.02968	0.4
161.02426	0.7
161.04520	0.9
165.06644	1.2
170.04510	0.5
175.02448	100.0
176.02800	3.2
181.07173	3.1
183.07729	1.2
191.01018	0.4
193.05022	1.7
195.07759	1.4
197.02019	0.9
204.03331	0.9
207.06657	0.6
213.08730	1.4
225.01578	1.9
227.06694	1.8
233.04491	1.3
239.06798	0.4
257.07748	4.4
261.05453	0.6
291.06519	11.2
292.06851	0.6
309.06204	1.2
345.15530	0.5
363.16559	1.2
369.07980	0.3
405.05591	2.0
405.13565	0.6
405.17639	12.5
406.17941	1.3
421.58459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.4
59.01375	17.4
60.01697	0.4
61.98810	0.7
67.84870	0.3
68.99781	1.0
69.03421	0.9
69.56058	2.5
71.01373	14.7
72.00911	0.5
72.01707	0.4
72.99300	1.2
73.02951	2.3
73.28622	0.3
74.02478	1.6
75.00863	0.6
77.56653	0.4
78.91866	2.3
82.02952	1.9
83.01369	1.2
85.02944	2.1
86.02473	0.9
87.00867	14.5
87.04464	0.4
89.02437	3.5
95.01406	0.8
95.05017	0.9
96.04559	0.9
96.95996	0.4
98.02468	0.9
99.00861	0.6
99.05624	1.4
101.02428	6.1
104.03519	4.1
108.04532	1.0
109.02921	1.0
111.00841	0.9
111.05630	0.8
112.04006	0.9
112.07769	0.4
112.98794	0.6
113.02422	2.7
113.03583	0.4
115.00356	34.6
116.00697	1.0
119.03490	1.4
121.02998	0.5
124.04025	1.0
126.05587	1.5
127.00347	0.5
127.05105	0.6
129.03789	0.5
129.06685	3.2
135.02962	1.0
139.81599	0.4
139.99359	1.4
140.07173	0.6
143.04576	0.9
147.04832	0.4
152.03424	0.5
155.01688	1.6
155.08258	1.0
159.06567	0.6
161.04443	0.6
165.06657	0.5
165.09167	0.5
169.08679	0.3
170.04544	0.7
175.02449	100.0
176.02823	3.0
181.07162	4.8
183.07710	1.1
185.09311	0.6
193.04990	3.5
195.07684	1.9
197.02017	0.6
204.03242	0.7
207.06514	0.5
213.08803	2.3
225.01477	1.7
225.11453	0.5
227.06787	2.0
233.04527	1.5
239.06642	0.4
243.12407	0.4
251.05592	0.6
257.07755	6.4
291.06537	12.7
309.06085	0.9
335.09744	0.7
350.51361	0.4
363.16617	1.4
405.06577	1.5
405.13486	0.9
405.17654	13.1
406.18063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.0
60.99294	13.4
67.60601	0.7
69.85629	1.8
69.86041	2.2
71.01365	1.5
72.99313	1.2
75.00879	0.9
76.37183	0.8
78.18072	0.8
78.95892	8.4
82.50050	0.8
88.98796	100.0
89.02444	3.4
89.99121	0.9
91.00385	1.0
96.96936	7.3
97.83673	0.7
101.02425	1.6
109.30593	0.8
113.02450	1.0
132.22375	0.8
135.04520	2.0
138.98026	0.8
172.06117	0.7
241.01176	2.4
259.02231	3.7
315.10672	4.7
405.05722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98820	19.5
62.02802	3.2
69.04153	3.8
70.01019	12.5
71.01377	30.4
73.02898	4.0
75.90298	3.0
85.02952	10.4
89.02444	25.5
89.44074	3.4
101.02419	17.6
107.05025	14.0
109.02899	3.7
113.02435	9.4
119.03519	5.9
119.05023	5.6
121.02960	15.1
135.04553	17.9
137.06061	18.7
150.03183	28.8
155.07127	4.8
161.04564	6.7
163.03987	12.1
165.05573	22.5
181.05074	16.1
183.06613	22.4
188.36137	4.3
225.04056	3.8
237.09645	7.5
285.03210	6.5
345.05090	6.6
369.13971	63.8
370.14346	7.9
405.11484	61.9
406.11768	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	405.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30766	0.3
59.01366	1.4
61.98822	100.0
69.30593	0.6
69.30996	2.0
85.07484	0.3
90.28520	0.3
108.42639	0.2
113.91380	0.3
126.51221	0.3
133.02951	0.3
135.04507	1.9
136.73375	0.3
161.02451	0.6
179.03444	1.3
205.76065	0.3
311.09576	1.2
405.15717	1.0
405.65674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31389	1.7
53.08336	1.4
55.01864	1.9
58.00576	4.5
59.01371	94.7
61.98515	2.2
61.98823	33.0
71.00987	3.5
71.01375	58.9
71.60693	3.8
72.99310	5.2
73.02930	4.8
83.01403	2.6
85.02940	13.5
87.00872	8.5
88.98782	2.1
89.02435	80.5
89.02993	3.8
95.01371	4.9
96.95987	7.9
96.96930	2.1
98.13548	1.4
101.02428	36.2
113.02437	26.8
118.79474	1.9
119.03491	31.5
120.99644	2.2
121.02885	3.6
125.02384	1.5
131.03502	3.4
133.02974	1.9
135.04506	3.4
137.02423	4.6
138.03204	4.9
143.03453	4.8
149.02422	18.5
149.04494	2.2
153.05542	4.8
160.01698	2.4
161.04514	6.7
165.01889	8.2
175.04004	2.6
177.01903	100.0
178.02275	6.7
179.03455	7.8
179.05588	11.6
180.04271	8.5
181.04968	2.0
183.06532	1.9
191.05539	5.9
192.04268	50.9
193.04587	3.9
194.05757	3.2
195.02908	6.3
195.06580	25.2
207.06638	13.2
210.05281	5.6
225.07626	19.6
285.02991	1.6
289.12082	2.7
387.13028	11.2
405.10602	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	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04000	27.7
58.25262	32.7
59.01361	100.0
60.12641	27.0
71.06959	68.2
189.44891	29.5
340.69360	29.9
405.16565	71.8
405.21133	37.5
410.96375	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	405.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	29.4
60.05569	8.6
61.98821	46.0
71.01372	27.5
73.02940	21.7
89.02409	12.0
98.20657	20.8
101.02450	12.2
139.11240	10.6
144.04973	10.5
149.09746	12.1
162.82561	10.2
167.10757	56.9
186.77924	8.6
186.79730	10.6
189.80420	11.5
219.08784	12.6
225.11417	12.8
243.15990	17.6
247.44345	13.5
342.68411	10.1
376.30011	9.5
385.18738	11.8
405.16727	100.0
405.21063	11.8
406.17105	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	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	100.0
60.78937	8.3
61.98828	10.9
71.61548	11.4
87.00871	9.4
106.43913	8.3
108.02119	10.6
161.02467	12.1
193.05026	9.5
195.06516	16.3
405.10410	10.1
405.16434	33.7
405.21457	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22772	33.4
59.01369	100.0
68.84978	39.6
71.01377	48.0
71.41459	69.3
82.05948	42.3
83.04961	34.1
84.20354	36.8
87.00900	38.4
137.05974	37.2
150.80661	36.8
154.97505	46.4
193.35831	43.0
212.14717	35.6
214.64903	40.2
214.87212	36.0
323.56271	41.1
377.49329	46.1
405.16650	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96136	0.5
57.03437	1.1
59.01372	22.9
69.68474	2.8
69.68882	1.2
73.02927	1.8
98.19865	1.0
101.02473	1.0
104.46441	0.5
104.63596	0.5
113.02457	0.8
139.11279	17.3
163.11269	1.2
165.09126	0.6
181.12326	11.9
183.10245	22.8
184.10608	1.0
199.13367	6.6
225.11301	6.0
243.12329	100.0
244.12648	4.7
249.11406	0.6
285.13391	1.7
345.15771	0.6
405.17593	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	405.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36524	0.6
57.03440	1.8
59.01372	100.0
60.01714	0.8
64.83846	0.7
68.99068	0.6
69.03444	3.8
69.79343	3.7
71.01379	2.8
71.05007	0.7
73.02951	1.8
83.01437	0.8
85.02935	0.9
87.00869	0.9
89.02435	2.7
98.19926	0.8
101.02441	2.2
111.00908	0.8
113.02433	3.2
113.06087	0.7
119.03517	1.8
127.07716	0.7
139.11259	7.1
161.04553	1.8
165.38641	0.7
169.50909	0.8
183.10226	60.7
184.10562	4.1
195.88947	0.7
197.11897	0.8
212.01302	0.7
225.11319	2.5
235.66426	0.7
243.10353	0.6
243.12291	3.7
245.30296	0.6
287.72800	0.6
345.15485	2.4
379.64572	0.7
405.17502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1756
Annotation	BRL15572
Peak:m/z	Relative Intensity
55.01862	0.6
57.03434	0.5
58.00585	1.0
59.01373	27.7
69.03425	0.7
71.01372	13.8
71.62302	0.4
71.62685	0.4
72.99294	1.5
73.02937	4.3
74.54462	0.4
75.76604	0.3
83.01368	0.7
85.02947	4.1
87.00858	1.5
89.02431	16.1
89.02988	0.9
90.02782	0.5
95.01366	1.2
95.05010	0.9
99.04508	1.2
101.02434	7.1
107.05023	0.5
113.02441	5.3
113.19917	0.4
114.98593	0.4
119.03485	4.5
137.05984	0.5
143.03473	0.6
161.04539	0.4
161.30136	0.4
163.11269	3.6
179.05586	1.0
181.12317	25.8
182.12650	1.0
183.10130	0.5
203.00163	0.5
207.10271	1.1
225.11284	100.0
226.11609	6.6
243.12300	1.3
329.10626	1.1
373.09225	0.5
405.12640	1.4
405.17581	37.0
406.17859	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	405.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74137	0.7
57.03433	1.3
58.76316	0.7
59.01371	28.5
61.98827	0.9
67.27242	0.8
71.01363	4.1
72.32556	0.8
73.02940	9.4
74.03249	0.7
75.00856	0.9
85.02926	2.0
87.00853	1.6
89.02438	1.6
93.03339	0.7
94.08893	0.7
97.02934	0.7
99.00880	0.7
101.02435	13.7
106.70295	0.7
111.00833	1.6
113.02435	3.3
125.09734	1.3
139.11270	16.3
140.11586	1.3
159.02951	1.9
161.04518	1.7
163.99203	0.8
181.12312	11.0
183.10254	21.2
199.13390	7.5
225.11288	8.6
243.12329	100.0
243.54991	0.8
244.12700	5.8
285.13400	4.0
315.14526	1.5
342.16177	0.8
405.11832	2.7
405.17596	6.5
406.17944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03440	0.9
59.01372	100.0
60.01719	0.9
68.37569	0.8
71.01376	14.6
71.62138	1.1
72.99306	1.0
73.02946	3.9
73.60971	0.8
83.01379	2.4
85.02948	6.1
87.00883	1.1
89.02435	9.1
93.03489	0.9
95.01384	1.9
99.00860	1.2
101.02431	11.4
109.02937	0.8
109.06573	0.8
113.02435	6.3
119.03452	4.0
131.14641	0.9
135.04512	2.2
143.03522	1.2
159.02979	1.2
161.02466	1.4
161.04536	10.3
165.09204	1.5
173.04509	0.8
179.03468	1.7
179.05710	1.1
181.07141	1.3
226.02942	0.8
243.06657	1.3
336.68741	0.8
345.15485	31.5
346.15894	2.6
405.11749	1.1
405.17120	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33199	0.3
57.03429	1.1
59.01372	21.9
60.99307	0.4
61.98820	1.8
67.01882	3.9
68.99776	0.3
69.03436	1.6
69.26661	3.2
71.01368	4.3
75.68967	0.3
81.03435	1.1
83.05009	0.7
85.02927	1.0
87.00843	0.8
88.98821	0.5
89.02438	1.7
89.47575	0.3
92.27296	0.4
93.03446	21.1
94.03762	0.6
98.20658	0.6
99.00842	0.5
101.02415	0.6
107.05022	0.7
109.02934	0.8
111.00853	1.0
111.04517	4.1
113.02437	0.7
113.09715	1.8
119.03404	0.5
127.03993	0.5
133.02994	0.3
135.04501	1.4
137.02405	3.6
137.06058	0.9
139.00337	1.0
141.12857	0.4
155.03493	4.6
157.51489	0.4
161.02412	1.3
171.13858	3.1
173.04518	100.0
174.04834	4.0
179.03445	1.0
191.05563	2.0
191.14713	0.3
231.15973	18.8
232.16338	1.2
276.07098	0.4
284.11481	0.7
285.11603	0.8
311.09540	2.3
311.59543	0.8
377.04944	0.3
385.77176	0.4
405.16083	0.7
405.21048	3.6
406.21719	0.5
423.32996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97343	0.4
59.01369	3.0
59.75203	0.4
61.98819	1.3
71.61266	0.7
78.95877	2.6
110.67262	0.5
113.09721	0.6
127.11282	1.1
129.97417	0.4
140.76665	0.4
152.99574	2.5
161.77824	0.4
239.20052	0.7
249.18509	0.5
265.18036	0.7
267.19650	3.2
283.19077	0.8
285.20673	100.0
286.21072	8.2
394.86847	0.5
405.26425	3.4
406.26657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30257	0.5
61.98807	0.6
63.70499	0.7
70.62078	1.3
70.62408	0.6
78.95882	2.3
127.11301	0.6
143.15808	0.5
152.99556	3.3
223.52292	0.5
227.85498	0.6
265.18024	0.7
267.19531	2.9
267.39752	0.5
269.38562	0.6
283.18829	0.7
285.20679	100.0
286.21030	8.7
299.57266	0.6
314.87720	0.5
349.23886	0.5
405.26440	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.7
61.98808	1.7
69.69351	8.2
78.95898	58.5
88.98815	6.6
89.02448	3.5
96.16217	1.5
96.96933	7.1
116.32108	1.2
152.99574	100.0
171.00603	5.3
222.49161	1.4
285.20694	6.4
300.02240	1.3
315.19287	4.4
405.20364	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26577	0.3
59.01358	1.0
59.44376	0.3
61.98815	0.6
70.01163	1.2
74.11447	0.3
76.99460	0.2
78.95890	3.7
96.96037	0.3
96.96946	0.3
97.06572	0.4
111.08176	0.4
113.09692	0.4
125.09672	0.3
127.11266	0.9
141.12830	0.9
152.99564	7.9
155.14378	0.4
171.00478	0.4
187.60619	0.3
211.20581	0.3
214.13344	0.3
226.88799	0.3
239.20137	0.9
249.18533	0.3
267.19617	3.0
283.19171	0.8
285.20670	100.0
286.21039	9.2
303.54962	0.3
405.20728	0.4
405.26291	3.9
406.26556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
59.01389	6.3
61.98808	4.0
62.64190	0.8
65.02911	0.9
69.07643	0.9
71.62335	1.4
74.17778	1.0
78.95895	8.3
81.03430	1.0
107.08673	1.0
109.06597	1.3
121.06523	1.0
130.08681	1.9
137.09650	1.1
152.99554	12.6
211.13083	0.9
239.16518	3.6
241.18048	4.1
241.70593	1.0
265.18079	1.1
267.19580	1.4
275.16364	1.0
315.26755	2.2
325.25427	3.1
341.24686	1.6
343.26358	3.8
351.23044	1.1
359.25845	4.0
361.27432	4.5
369.24368	3.4
379.20496	1.0
387.25385	6.9
405.26379	100.0
406.26556	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	405.264
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
59.01377	4.9
61.98823	2.0
74.38067	1.0
78.95895	1.8
83.05019	1.2
92.68039	0.9
107.05008	1.1
109.06556	1.0
111.08231	1.4
127.05124	2.7
145.06171	2.2
152.99536	4.0
193.60574	0.8
208.15222	1.1
211.13443	1.3
213.15062	1.7
229.90329	1.0
239.16483	3.4
241.18040	1.7
315.26880	3.2
325.25327	4.1
333.27536	1.2
341.24850	2.2
343.26410	4.0
351.23206	1.3
359.25732	4.4
361.27493	2.0
369.24298	4.9
374.23978	1.1
377.27005	1.2
387.25369	12.3
388.25922	1.9
405.26413	100.0
406.26663	14.3
426.10458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.1
61.98822	100.0
63.61125	0.5
69.83132	1.9
71.01366	1.0
89.02428	1.0
93.20454	0.4
101.02440	0.6
155.08206	0.5
165.12746	0.8
183.13847	3.8
190.51360	0.5
227.12927	4.9
279.96552	0.5
347.17047	1.2
368.94159	0.5
406.16928	0.5
407.19327	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	406.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60042	1.5
56.99036	1.5
57.09387	1.4
58.02974	15.3
59.01373	42.5
66.99394	1.5
70.38695	1.5
71.01382	19.5
71.05014	2.3
72.00917	1.8
73.02944	5.3
73.95460	1.5
74.02463	27.9
81.04567	1.9
82.02984	5.0
83.01396	2.5
83.58598	1.6
85.02961	8.0
86.02447	13.2
87.05634	7.0
89.02438	5.7
96.04579	2.8
97.04079	3.6
97.06577	12.6
98.19952	8.2
98.20637	4.6
99.00878	1.7
99.05634	31.3
101.02424	16.0
101.07182	6.3
102.05598	5.1
104.03503	1.9
107.06106	2.2
109.04066	6.4
109.07755	1.9
111.00872	1.7
111.05614	2.1
112.04018	3.7
113.02446	8.0
113.08417	1.6
115.07648	22.2
119.03461	3.1
121.49447	1.4
123.05649	2.5
124.04047	1.7
125.03584	2.9
127.05131	6.0
128.03523	72.5
129.03836	2.3
133.06920	22.0
135.05632	7.3
141.06677	4.1
143.04607	100.0
145.06183	4.4
146.04620	12.8
147.04933	1.8
153.06700	7.8
159.03009	1.7
161.04533	16.8
166.09853	2.6
167.04602	5.7
167.08240	9.1
167.10809	3.4
169.27205	1.6
170.03282	3.6
171.04080	3.3
179.03203	1.8
179.04616	24.2
181.06168	2.9
185.05685	4.0
185.11771	12.2
192.07767	2.9
197.05595	6.3
199.05023	1.6
210.08813	21.8
229.73422	2.1
254.07785	51.7
255.08162	2.9
272.08829	50.9
273.09293	3.9
277.12393	7.8
292.06827	3.0
347.17068	29.7
388.15302	12.0
406.16510	81.3
407.17496	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	406.2231
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
54.33431	1.0
58.02962	1.2
59.01090	1.7
59.01371	27.2
61.98820	5.7
70.02972	1.2
71.01373	17.1
73.02954	1.3
77.83193	1.0
78.95885	1.1
79.95671	1.0
85.02945	0.9
88.04031	80.7
89.02411	1.4
95.05054	1.2
96.96007	1.4
96.99296	2.7
101.02425	3.8
109.06527	1.4
114.01945	1.9
115.00365	22.5
130.69270	1.0
132.03099	4.8
135.04469	1.1
148.08832	1.3
151.11269	2.0
153.05670	1.2
161.02371	1.1
163.11302	1.1
165.12822	41.0
166.13164	2.8
166.70471	1.0
181.07164	2.9
182.07503	1.2
185.30255	1.0
191.14302	1.6
217.28809	0.9
220.20258	0.9
239.91943	1.2
247.20528	2.6
273.18542	2.6
290.21240	13.7
291.19547	26.5
292.19907	3.2
347.17004	7.9
362.23291	16.5
363.23743	2.0
388.21097	2.0
406.22272	100.0
407.22687	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	407.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.98827	14.4
63.23233	4.1
71.01386	21.6
85.02946	4.8
85.46571	4.7
87.00809	6.7
87.47894	4.0
88.04031	8.8
89.02417	35.6
101.02461	8.4
109.60896	4.5
113.02451	10.3
117.15843	4.0
119.03478	13.7
135.03000	5.4
136.01637	12.1
141.98895	5.4
150.03198	8.7
151.04004	19.9
161.02438	8.9
161.04529	4.0
165.05527	7.3
173.01965	4.2
175.02431	18.4
179.05565	12.8
194.05751	5.6
209.08093	22.4
220.37738	5.1
300.15717	7.4
303.60562	4.4
344.18073	5.3
434.92410	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	407.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70081	1.8
59.01373	100.0
60.01707	2.3
61.98822	2.6
69.62392	5.6
69.62825	5.5
69.89338	1.8
71.01368	14.1
71.03880	1.6
72.68861	2.2
73.02925	3.0
85.02952	3.7
85.70951	1.6
89.02435	16.4
95.01382	1.6
96.95995	3.8
101.02434	8.6
107.05080	1.6
113.02453	5.9
116.05049	36.2
117.05418	2.0
119.03473	4.8
121.02954	10.2
130.06610	12.6
133.02924	6.5
134.03696	1.8
135.04495	11.9
138.05615	2.5
144.04485	1.9
146.02490	8.4
149.02393	13.6
152.94301	1.8
157.05359	4.3
158.06097	31.7
159.06529	2.0
161.02428	16.0
161.04578	4.8
163.07669	3.8
170.06020	7.7
174.05598	2.5
176.07137	12.6
179.03458	9.0
179.05611	2.8
190.01404	3.8
190.08670	4.8
191.03476	8.7
202.05070	16.6
203.05582	1.6
205.03654	11.5
209.11859	1.8
211.34122	1.6
220.06216	7.8
233.06880	3.9
234.07675	83.5
235.07970	4.2
256.02243	1.5
259.12341	1.7
263.54654	1.6
271.08789	1.8
287.11880	21.1
331.10855	6.1
332.10129	3.9
332.60107	2.7
347.17059	16.9
348.17389	1.6
363.13446	65.5
364.13916	8.2
380.42273	1.9
398.10800	2.0
407.12256	2.3
407.17148	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	407.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02257	1.3
59.01373	85.0
61.98829	13.7
70.21555	4.8
71.01380	7.3
72.99295	1.7
73.02924	1.3
85.02956	4.6
87.00861	1.5
89.02434	6.0
93.03468	2.9
97.06532	1.9
101.02445	6.3
105.01918	6.4
106.61832	1.3
108.02141	1.4
111.04580	1.4
113.02435	3.7
119.03499	2.5
121.02918	6.4
121.17621	1.2
122.03698	7.5
122.06021	1.2
123.04530	4.1
132.04474	1.4
133.02968	1.6
134.03731	25.1
135.02943	4.3
135.04475	1.5
136.01648	65.2
137.01982	1.7
139.73344	1.4
149.02397	15.1
149.06081	18.7
150.03215	40.7
151.03993	100.0
152.04282	3.4
153.09158	2.2
154.19054	1.1
161.04500	2.8
164.04767	3.1
165.05536	43.3
166.05972	2.5
172.05333	1.6
173.04607	2.2
174.05571	4.2
180.04189	3.5
181.05028	12.1
185.11894	1.6
190.05058	2.2
191.05559	2.8
193.05060	4.0
195.06598	22.4
196.06950	1.8
205.04288	1.6
209.04515	5.3
211.06082	3.2
218.04439	2.0
224.04755	1.3
233.10181	2.0
236.04910	2.0
239.05525	3.1
241.05093	2.0
252.04315	3.5
255.06615	3.5
267.06525	2.8
269.04633	1.4
278.06665	47.1
284.06888	3.9
299.09283	11.9
341.10275	3.3
347.17059	3.0
359.11273	12.7
389.12271	1.9
407.13519	39.4
407.18909	8.5
408.09326	2.5
408.13861	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	407.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	22.9
61.98825	7.0
71.01369	4.7
71.62104	1.8
72.99281	3.1
73.02921	1.2
85.02931	3.8
87.00865	1.4
89.02426	4.8
93.03441	1.5
101.02419	3.9
103.00359	1.8
105.01926	15.7
108.02195	1.6
113.02416	2.9
119.03461	1.5
121.02946	2.0
122.03703	6.0
123.04503	4.0
130.08714	1.1
133.02940	1.9
134.03726	16.5
135.04463	2.0
136.01648	52.7
137.02092	1.9
149.02399	10.3
149.06071	11.9
150.03206	46.3
151.03990	100.0
152.04286	2.6
153.09166	2.5
161.04645	1.4
164.04767	1.7
165.05547	49.7
166.05890	2.4
180.04216	4.0
181.05016	12.9
191.05505	2.0
193.05043	4.8
195.06596	22.6
197.08202	2.3
210.05263	1.8
211.06044	8.4
215.09195	1.3
289.11816	1.3
299.09131	2.1
300.15604	1.9
302.56436	1.3
341.10193	1.7
347.12619	1.4
359.11206	3.2
407.13516	33.3
407.18719	4.3
408.13568	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73392	1.0
59.01370	100.0
61.98812	2.7
65.03960	2.6
67.01882	32.6
68.99807	27.1
69.03436	4.4
71.01357	4.5
73.02953	1.8
83.01360	1.3
85.02943	4.1
89.02435	2.4
93.03436	10.0
95.01371	5.4
95.05014	1.6
96.95985	3.6
99.00861	3.8
99.04507	10.6
101.02424	37.7
110.03708	2.7
111.00863	47.3
111.04485	2.4
113.02444	7.1
119.04990	2.4
121.02934	2.4
123.04461	3.2
125.02423	1.8
125.05206	1.8
125.06069	31.0
126.06387	1.5
127.03996	28.7
133.02956	1.1
135.04527	5.8
136.01659	7.6
137.02425	38.0
137.06003	1.6
139.00354	50.4
140.00710	1.4
143.03429	1.8
149.02377	1.8
151.03973	9.6
151.07632	6.1
153.05544	17.0
161.02400	3.4
161.04466	2.6
163.03993	3.4
169.03712	1.4
169.05037	17.1
173.04475	5.7
177.05534	11.3
179.03465	58.9
180.03784	3.1
195.06596	49.4
196.06953	2.7
212.64636	1.0
221.04533	7.0
236.24254	1.0
239.05553	14.4
273.07657	2.8
275.05579	11.0
305.10226	3.4
307.08203	6.0
311.09402	4.3
347.17059	11.6
348.17300	1.7
357.09851	4.0
375.10690	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	407.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63784	1.4
59.01370	100.0
61.98819	9.6
65.03948	4.3
67.01878	50.8
68.99809	37.5
69.03438	3.6
69.46075	2.5
69.46475	7.1
71.01379	4.0
73.02949	2.0
76.95163	1.1
78.95895	1.3
79.95705	3.8
83.01360	1.7
85.02934	5.8
93.03426	11.3
93.94965	1.2
95.01369	7.7
95.05006	1.4
96.95992	13.1
97.02913	1.6
99.00874	5.3
99.04492	16.8
101.02428	49.8
107.05057	1.3
108.02182	1.4
110.03715	4.1
111.00861	57.4
111.04540	1.6
113.02433	7.8
119.05005	2.4
121.02924	1.9
123.04488	1.4
125.02472	1.6
125.06062	46.4
126.06387	3.4
127.03991	39.8
133.02927	5.0
134.03616	1.8
135.04521	15.8
136.01634	9.9
137.02419	54.2
138.02773	2.0
139.00354	69.9
140.00668	1.8
149.02446	2.1
151.03996	14.8
151.07622	9.9
153.05544	23.5
161.02437	11.3
161.04546	1.5
163.04007	4.3
169.05038	23.0
177.05562	14.3
179.03468	86.9
180.03839	4.3
195.06590	66.7
196.06956	1.6
221.04449	5.6
239.05545	20.6
240.05931	1.8
273.07642	4.0
275.05560	17.3
284.05518	1.3
305.10321	3.8
307.08246	10.4
311.09488	12.9
311.59479	2.5
343.08029	1.7
347.17084	10.1
357.09705	4.8
375.10788	3.1
385.13565	1.4
407.17728	9.2
408.15878	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	407.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
59.01375	22.3
65.03928	1.1
66.73379	0.9
67.01883	20.2
69.03440	1.3
69.61593	2.3
69.62004	6.3
73.02949	4.3
78.82227	1.0
81.03448	2.6
83.05020	4.4
85.02937	14.2
91.05516	3.4
93.03451	30.2
95.04980	5.3
97.02943	11.6
99.04505	33.6
101.02417	2.0
103.62437	1.3
107.05017	38.6
109.02939	16.3
109.06608	5.3
111.00868	39.0
111.04512	17.4
112.01189	1.4
112.04869	1.1
117.76757	1.1
122.06134	1.3
123.04518	9.7
125.02442	2.5
125.06058	2.6
127.03993	4.1
135.04509	100.0
136.04854	4.5
137.02441	14.9
137.06067	32.8
139.00339	2.2
143.03491	4.1
149.06038	7.0
151.03983	7.4
151.07591	1.6
153.05560	35.3
154.05855	1.8
155.07097	4.7
157.18069	1.4
160.32422	1.2
162.03075	1.0
167.07115	10.4
169.05048	16.6
173.29019	1.0
177.05504	1.0
179.03470	25.7
181.05055	3.3
193.05069	2.8
195.06590	1.4
197.04517	21.2
197.28699	1.1
211.06090	57.9
212.06467	2.5
223.25534	1.2
225.07632	1.5
229.07127	80.4
230.07468	3.3
243.08722	1.9
253.07381	1.1
261.26041	1.1
273.07605	2.7
315.08792	3.8
333.09738	24.0
334.10007	1.7
347.11319	9.4
365.12219	11.1
366.12930	1.5
407.13388	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	407.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.8
59.01371	19.6
67.01877	18.4
68.99801	1.4
69.30817	10.9
71.01385	1.8
73.02944	3.2
78.95895	1.6
81.03443	3.4
83.05000	3.2
85.02943	14.5
91.05520	2.9
93.03444	27.9
95.05003	3.8
96.96037	1.4
97.02928	12.3
98.19838	2.6
99.04505	27.7
101.02425	4.1
101.55980	1.0
107.04286	1.7
107.05018	34.9
108.05344	1.2
109.02940	12.1
109.06575	4.1
111.00862	34.2
111.04497	18.0
117.03453	1.1
120.99642	3.1
123.04500	10.0
125.06068	2.4
127.04005	4.0
134.03725	2.5
135.04504	100.0
136.04852	3.7
137.02426	13.5
137.06059	32.0
139.00327	2.7
143.03445	3.1
148.19095	1.1
148.66989	1.5
149.06046	8.5
151.03966	7.0
151.76773	1.2
153.05553	35.6
155.07132	4.9
161.02383	1.5
167.07103	7.9
169.05037	14.0
179.03473	25.2
179.85617	1.2
181.05096	2.0
185.16060	1.1
188.85541	1.1
193.05003	2.9
197.04514	21.7
198.04852	1.3
211.06061	48.2
212.06389	3.2
229.07112	77.3
230.07472	4.1
243.08713	2.5
271.08154	1.4
273.07767	1.7
287.09180	1.5
315.08743	4.1
333.09741	23.0
334.10202	2.3
345.11386	1.1
347.11325	8.9
348.11487	1.4
365.12289	10.7
366.12750	1.1
396.66241	1.3
402.18564	1.3
407.13275	2.4
407.26581	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	407.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.9
57.03451	4.2
58.00578	4.8
59.01372	100.0
59.01674	4.8
60.13827	1.9
60.69672	1.8
60.74568	2.0
70.93564	4.7
71.01374	96.3
72.99277	3.4
73.02933	14.2
75.00869	1.8
83.01371	11.0
85.02941	22.3
87.00867	3.6
89.02431	42.9
95.01398	5.5
97.02913	2.5
98.20297	3.7
99.00872	8.3
101.02429	53.9
103.28647	2.0
107.08665	6.0
109.06570	12.7
113.02419	31.4
119.03487	22.3
121.06591	20.5
123.04506	3.8
125.09688	2.6
130.31238	1.8
133.06578	14.1
135.08162	7.4
139.02579	2.2
139.07631	2.0
143.03453	3.8
148.33485	1.8
151.07637	60.0
159.02917	2.5
161.04526	16.2
165.05550	7.0
165.09180	4.7
169.08679	11.9
177.05502	2.8
179.05550	4.2
183.06657	6.4
183.10223	8.3
193.08696	2.4
197.08173	4.0
226.32567	2.0
236.44516	2.2
267.12387	3.2
313.12891	46.2
314.13483	2.5
321.00595	2.0
326.74350	2.1
345.11752	5.3
357.11807	21.7
358.12329	3.1
375.12927	6.1
377.14389	29.9
389.14502	33.3
390.14581	2.9
407.15439	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	407.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
58.00583	4.3
59.01376	100.0
61.98823	7.1
70.10761	6.9
71.00983	3.1
71.01374	56.4
72.99284	2.2
73.02930	5.4
83.01377	5.5
85.02940	10.9
87.00863	6.1
89.02434	53.7
95.01371	4.3
101.02436	34.5
107.08661	3.1
113.02449	18.9
119.03482	26.9
121.06591	14.6
123.04515	3.4
131.03476	1.5
133.06616	4.7
135.04526	2.3
136.01665	3.0
143.03438	1.8
149.04587	1.9
150.03249	1.8
151.03998	4.9
151.07625	2.0
161.02449	2.3
161.04524	5.1
165.05553	4.5
165.09163	2.5
169.22871	1.4
175.02437	2.0
177.05489	3.0
179.03462	2.3
179.05602	4.5
183.06592	2.7
191.05592	5.9
195.46851	1.4
197.08176	3.7
227.09207	4.6
233.10191	3.2
233.74606	1.5
256.07468	1.9
271.09839	4.0
281.06656	3.0
287.66800	1.7
331.14136	3.1
345.11615	1.6
357.11954	3.4
375.12961	4.3
377.14389	10.2
389.14484	9.8
407.15549	81.9
408.15942	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	407.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.8
55.05470	1.5
55.93599	1.4
57.03437	3.8
58.00597	2.1
59.01374	74.5
61.98821	2.1
71.01377	73.7
72.01711	2.3
72.99281	4.2
73.02950	9.8
75.00858	3.7
75.13084	1.6
83.01363	9.0
85.02953	20.7
86.93966	1.6
87.00857	3.8
89.01910	2.4
89.02435	35.3
95.01379	2.7
97.06647	1.9
97.66614	1.5
98.19850	4.3
99.00849	7.5
101.02433	40.1
103.26673	1.6
107.08592	3.5
109.06570	12.3
110.83296	2.1
113.02432	20.3
119.03501	17.3
119.04996	4.0
121.06592	48.7
122.06956	1.7
123.04488	3.8
133.06589	12.7
135.08141	4.2
137.06046	2.3
143.03427	1.8
151.07642	100.0
152.07982	4.7
153.09184	12.1
161.04507	10.2
165.05501	5.6
165.09142	3.7
168.40051	1.6
169.08643	5.8
173.04587	2.8
177.05484	3.9
179.03455	2.1
179.05623	2.9
183.06586	3.6
183.10216	7.8
185.02179	2.7
195.06519	3.0
197.08177	3.8
227.09242	10.6
237.07816	1.9
290.77710	2.2
313.12912	30.1
314.13086	2.7
319.11505	1.7
321.09409	2.5
331.13815	1.9
338.89984	1.7
345.11896	3.3
347.17105	2.4
357.11871	17.5
358.12003	2.6
375.12808	3.7
377.14529	19.1
389.14481	22.8
407.15463	7.4
413.49426	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	407.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09900	2.0
53.19245	2.0
53.99127	2.1
55.01868	7.3
57.03438	3.0
58.00577	3.9
59.01373	100.0
60.87020	1.8
63.31271	2.0
69.62167	12.2
71.01374	93.5
72.99299	3.0
73.02930	13.2
78.06131	2.3
83.01395	10.1
85.02943	25.3
87.00877	4.6
89.02439	48.3
90.34109	2.2
95.01353	2.8
99.00896	9.2
99.54700	1.9
101.02429	53.0
101.03075	4.0
107.08643	2.0
109.06570	14.7
111.00922	3.0
113.02439	30.4
119.03487	26.6
121.06569	26.8
123.04453	2.4
131.03496	3.1
133.06560	12.6
135.08133	6.0
139.07675	2.8
143.03510	5.0
151.07632	52.5
153.85477	2.3
159.02986	2.3
161.04564	15.4
165.05540	5.2
165.09204	5.7
169.08655	11.7
177.05560	5.1
178.04675	2.1
179.05563	5.6
183.06633	6.2
183.10219	8.6
193.08698	3.3
197.08211	4.6
207.06505	2.4
207.10120	2.4
223.09688	2.0
267.12299	2.8
313.12875	46.8
314.13263	3.5
341.60272	2.0
345.11838	4.8
345.15738	2.3
357.11853	36.5
374.63763	1.9
375.12839	6.7
377.14456	30.8
378.14908	2.1
389.14542	30.4
390.14798	4.1
407.15353	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	407.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.8
57.03444	7.1
57.57022	2.3
58.00579	3.4
59.01375	100.0
66.52543	2.2
69.03453	4.3
69.94113	2.3
69.94386	11.5
71.01376	96.4
72.95683	2.0
72.99284	4.7
73.02930	15.8
74.74938	1.9
78.95891	9.7
78.96302	2.2
82.57876	2.2
83.01379	11.7
85.02952	29.7
87.00856	8.3
89.02438	51.5
93.03484	2.3
95.01382	6.4
96.96011	10.9
96.96944	13.8
99.00873	9.3
101.02435	57.1
107.08676	3.0
109.06585	14.2
110.98504	3.0
113.02425	33.9
117.26395	2.2
119.03486	22.5
120.99624	6.8
121.02911	5.0
121.06586	24.0
125.09742	3.5
133.06589	12.0
134.84103	2.1
135.08160	6.6
143.03500	5.4
149.09718	2.9
151.07628	69.3
161.04578	12.7
165.05563	7.6
165.09187	5.2
169.08667	9.8
171.02739	2.7
177.05553	5.0
179.05653	5.2
183.06583	5.9
183.10255	8.8
186.61742	2.4
197.04515	4.4
197.08185	3.9
213.69110	2.1
239.49152	2.4
241.05061	2.7
256.07266	4.8
267.12256	2.9
271.09634	3.8
287.23358	2.2
309.12030	5.2
313.12863	39.0
314.13303	3.6
345.11823	5.0
357.11823	28.6
375.13123	4.0
377.14453	22.0
378.14807	4.8
389.14465	26.0
407.15738	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	407.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
59.01367	23.4
69.03454	5.8
71.01372	5.4
71.61389	1.2
73.02931	2.1
75.00857	2.3
83.01369	1.3
84.21428	0.8
85.02938	6.2
87.04496	1.0
87.21150	0.9
89.02436	2.6
97.02946	11.3
99.00856	4.9
101.02433	2.1
111.11399	1.1
113.02404	1.3
115.03974	2.1
119.03470	1.4
131.03450	3.6
139.22783	1.0
153.09187	66.0
154.09518	3.2
159.02969	17.0
161.04626	1.0
197.08162	100.0
198.08508	6.1
215.09254	7.5
231.07639	1.0
243.03973	1.3
257.05716	1.1
259.07108	2.6
271.07266	1.6
287.10257	2.9
313.08228	5.7
331.09354	1.8
347.17010	2.8
357.11856	7.5
375.08560	1.8
375.12817	6.6
389.14517	2.9
407.10870	3.6
407.19177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97853	8.1
59.01373	44.1
59.84831	8.2
70.00395	41.8
85.02924	21.6
96.95983	11.8
98.90720	8.6
107.05014	9.7
113.02416	15.8
117.81284	8.6
125.44262	8.0
126.24552	8.4
133.02879	21.5
134.03709	54.5
135.04512	100.0
149.06052	25.4
151.03952	14.6
161.02428	70.3
179.03439	58.1
193.04991	27.7
241.87476	8.8
242.37497	9.9
311.09409	91.1
386.12842	47.4
407.18344	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	407.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97853	8.1
59.01373	44.1
59.84831	8.2
70.00395	41.8
85.02924	21.6
96.95983	11.8
98.90720	8.6
107.05014	9.7
113.02416	15.8
117.81284	8.6
125.44262	8.0
126.24552	8.4
133.02879	21.5
134.03709	54.5
135.04512	100.0
149.06052	25.4
151.03952	14.6
161.02428	70.3
179.03439	58.1
193.04991	27.7
241.87476	8.8
242.37497	9.9
311.09409	91.1
386.12842	47.4
407.18344	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	407.1917
Annotation	Daumone 4
Peak:m/z	Relative Intensity
57.03450	0.9
59.01374	100.0
60.01703	1.2
69.03477	0.8
69.64363	0.5
71.01374	16.6
71.05023	1.5
71.33932	1.1
73.02932	4.4
80.91669	1.2
83.01404	1.5
85.02954	5.2
85.06631	0.8
87.00874	1.9
89.02438	6.5
95.01418	0.9
97.06586	3.7
99.00890	1.8
101.02431	9.8
104.71380	0.5
113.02438	8.1
115.00369	1.8
115.07637	21.6
116.05103	0.7
119.03500	2.6
125.02497	0.6
143.03503	2.0
158.06136	1.3
159.02995	1.7
161.04546	20.0
162.04855	0.8
167.10797	1.9
175.02455	5.1
179.05620	2.0
185.11813	14.6
186.12283	0.6
215.09320	0.5
233.10390	0.8
259.11853	1.2
347.17056	13.8
348.17548	1.5
407.19067	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	407.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01373	100.0
60.01698	2.0
61.98811	3.0
64.41576	0.8
67.35744	1.0
69.60995	0.8
71.01376	18.5
71.62434	1.5
72.99288	3.7
75.00853	2.6
77.11288	1.1
83.01361	1.9
85.02956	6.2
87.00842	2.9
89.02438	30.4
101.02431	9.3
105.01930	1.0
110.09641	0.9
111.00856	2.3
113.02441	7.8
115.07613	1.0
119.03500	12.3
123.04512	1.4
131.03500	1.8
134.03723	1.4
135.02998	9.1
136.01645	4.0
143.03448	3.2
149.02440	1.4
149.04523	1.1
149.06042	1.2
150.03191	3.2
151.03995	7.2
161.04517	4.1
165.05527	3.7
175.02411	0.9
177.31252	0.9
179.05602	14.6
181.04996	1.3
183.02953	2.9
195.06531	1.5
214.15425	0.8
215.09201	1.1
218.04582	1.1
278.06647	6.8
299.09189	0.9
300.15381	1.3
347.16953	1.8
407.13824	3.7
407.18900	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	407.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
59.01374	100.0
60.01689	0.8
66.74657	0.5
69.71615	3.1
71.01377	11.1
72.91529	0.6
73.02935	2.9
83.01376	0.8
83.72980	0.5
85.02937	3.9
89.02425	2.9
98.20620	0.6
99.00889	1.8
101.02442	8.6
113.02457	3.9
119.03506	0.8
140.66586	0.5
143.03491	0.8
159.03036	1.4
161.04546	12.6
347.17017	17.2
348.17487	1.3
407.19327	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	407.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94558	1.1
53.41209	1.1
53.75969	1.0
55.01870	1.6
57.03436	1.2
58.00586	1.4
59.01373	100.0
60.01705	1.3
69.71263	3.4
69.71676	3.1
71.01375	31.8
72.99320	1.6
73.02936	10.7
83.01379	6.3
85.02940	13.0
87.00871	2.9
89.02440	19.1
95.01374	1.7
98.19882	2.3
99.00871	4.1
101.02433	35.2
113.02440	14.6
119.03453	9.4
143.03415	1.8
151.88922	1.2
153.28293	1.2
159.02959	2.7
161.04541	17.5
177.25273	1.1
179.05605	4.2
185.11819	4.9
212.68462	1.2
245.13968	1.3
326.63086	1.3
347.17047	90.1
348.17349	10.9
407.19162	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	407.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.5
59.01376	100.0
60.01716	1.3
61.98834	0.7
69.46202	2.8
69.46606	0.7
71.01377	5.0
73.02946	1.4
83.01400	0.8
85.02919	2.1
87.00901	0.4
89.02426	1.4
91.41016	0.4
99.00848	0.5
101.02453	5.0
113.02448	2.4
119.03483	0.4
129.01985	0.5
143.03519	0.5
159.02971	0.4
161.04562	3.6
165.61697	0.4
185.11888	0.7
211.36205	0.4
347.17053	21.6
348.17288	3.1
407.19147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26152	1.0
55.01862	1.1
57.03442	1.5
58.00583	1.9
58.39718	0.8
59.01370	61.1
61.98805	2.2
71.01369	24.6
71.06576	1.8
72.99291	1.3
73.02916	1.7
75.00862	1.8
83.01368	1.9
85.02940	5.7
87.00864	1.0
89.02428	26.6
95.01368	1.6
97.02919	0.9
100.12810	0.8
101.02431	16.3
111.08143	1.7
113.02418	9.6
113.12650	0.9
119.03491	8.3
135.04504	2.6
165.12820	8.8
179.03490	3.5
183.13869	14.2
209.11809	7.8
226.37430	0.9
227.12846	36.3
228.13173	2.5
243.12257	1.4
244.20699	0.8
245.13824	5.3
291.06497	4.1
347.17081	2.8
407.19138	100.0
408.19467	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	407.2197
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.39589	0.3
52.19102	0.4
58.53853	0.4
59.01364	1.8
60.72103	0.3
60.77795	0.4
66.54096	0.4
71.62376	0.6
78.95893	100.0
96.96944	9.1
110.46971	0.4
150.97997	1.3
152.99567	91.9
153.99884	1.3
167.05782	0.4
171.00615	68.6
172.00990	1.0
202.82382	0.4
325.18411	1.6
347.17078	0.5
407.21793	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	407.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99286	2.7
59.01090	6.3
59.01374	100.0
61.98819	7.0
64.22104	3.3
71.01380	13.7
71.60901	3.7
71.61297	4.4
73.02945	3.4
75.00861	3.8
78.95898	6.5
83.86547	3.4
85.02924	4.8
89.02448	8.1
101.02430	12.2
113.02413	4.1
152.08447	2.9
152.99570	5.7
159.02937	3.6
161.04503	5.1
171.10202	3.4
212.08296	3.3
213.53311	3.5
273.86594	3.4
305.61658	3.7
312.01526	3.0
347.17044	38.7
377.27048	3.7
407.27762	8.4
407.33041	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	407.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
61.77589	0.6
61.98844	1.1
68.73647	0.6
69.27505	1.1
69.27908	4.8
71.01373	1.4
77.03487	0.6
85.02947	0.7
96.33714	0.6
101.02463	2.2
116.14866	0.6
123.63815	0.5
184.61368	0.8
336.17508	0.7
336.21924	0.7
347.17172	0.9
347.24475	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	407.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
64.37374	0.2
69.54111	0.9
99.08138	1.1
106.96571	0.2
119.18752	0.2
129.09207	0.4
136.69072	0.2
141.12833	1.4
155.14417	0.5
221.19044	0.2
239.20093	0.2
241.21838	0.9
250.96692	0.2
269.21085	2.5
285.20605	1.1
287.22220	100.0
288.22580	7.9
407.27933	6.9
408.28299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24173	0.5
58.02980	1.7
59.01361	3.7
61.98822	100.0
78.95914	1.0
92.59908	0.6
93.07106	0.6
96.96004	0.8
98.19826	1.0
99.04504	0.5
101.02451	1.2
111.00858	0.7
113.02440	0.7
119.05016	2.2
121.02919	0.5
127.04015	0.8
135.04507	0.7
137.02440	1.0
137.06053	4.0
138.06450	0.5
139.00365	1.2
159.11816	0.6
161.02460	0.6
163.04034	2.1
173.04520	0.5
178.08759	1.2
179.03511	1.2
180.03928	1.1
180.06647	9.1
203.10774	1.1
229.43028	0.6
230.44687	0.5
247.09755	1.5
326.77200	0.6
332.30286	0.5
336.43518	0.5
336.69412	0.5
345.09995	1.4
372.18073	7.3
373.18484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74412	1.9
52.44982	1.6
59.01091	2.6
59.01374	35.8
60.01706	4.8
61.01828	1.8
61.98831	1.9
68.93127	1.8
69.45921	12.6
71.01392	3.5
73.02945	1.8
95.64925	2.0
97.09811	1.9
104.68024	1.8
116.44123	2.0
120.87849	1.7
128.63704	2.1
136.30487	1.8
139.11269	16.2
140.11580	16.1
181.12308	7.8
182.12646	12.2
183.10210	19.0
184.10583	28.6
185.10898	3.7
199.13353	4.6
200.13727	6.0
225.11232	8.4
226.11591	8.3
228.13150	3.6
243.12323	32.0
244.12680	58.9
245.12779	11.2
246.13326	11.4
257.07480	1.9
348.17133	5.3
408.19485	100.0
409.19913	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	409.044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49654	0.3
59.01364	1.9
64.04922	0.3
70.88155	0.7
70.88500	0.3
71.01375	2.7
79.95721	3.5
80.41942	0.3
80.96505	3.5
85.02949	0.8
87.00879	1.1
89.02450	0.5
96.95998	100.0
99.00877	0.5
101.02435	1.1
108.02183	0.8
113.02438	0.7
122.97567	0.8
123.04498	0.5
138.97057	9.0
150.03186	0.9
150.97052	0.9
152.01120	2.3
164.98624	0.8
165.05553	1.0
167.03496	3.4
168.98140	0.9
180.98137	0.9
195.06647	0.5
199.19823	0.3
222.99146	1.6
241.00203	50.3
242.00583	1.6
329.08661	0.4
333.88651	0.3
349.14923	0.6
409.04391	37.3
410.04703	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	409.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.7
59.11072	0.6
60.56501	0.6
65.33696	0.5
67.41135	0.5
69.71449	3.8
71.01383	2.2
81.42120	0.5
85.02949	0.9
89.02423	1.1
89.02925	0.5
93.03437	1.8
96.38290	0.6
96.95957	0.8
101.02410	1.1
121.02955	2.8
122.03736	8.0
135.04480	0.7
136.01640	1.2
146.27014	0.5
149.02415	12.3
150.03206	65.5
151.03618	2.3
161.02390	0.6
161.04538	1.0
164.04802	3.6
165.05547	100.0
166.05901	4.3
168.19818	0.5
180.04303	3.1
187.05746	0.6
195.06599	38.9
196.06918	2.1
213.07654	1.2
277.12875	1.5
285.07654	0.6
286.08395	1.6
301.10873	2.2
361.12878	4.0
365.12955	0.7
409.16635	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63359	1.8
59.01370	21.0
71.01371	8.4
79.05524	8.6
83.05028	1.9
85.02944	4.7
87.00917	1.8
89.02433	5.2
93.07061	2.2
95.01477	1.8
97.02940	12.9
98.19875	7.1
99.04514	3.5
101.02418	1.9
105.07108	2.2
109.06587	6.0
111.04494	6.1
113.02430	10.5
114.82552	1.8
119.03438	2.0
119.58253	2.2
125.06107	3.0
129.07094	3.6
133.06566	3.1
143.08627	5.5
154.86658	1.9
157.10220	2.3
159.11771	48.8
159.13010	4.1
160.12117	4.7
170.07321	3.7
185.09709	10.6
201.12773	9.6
203.10738	89.1
204.11101	8.9
247.09709	100.0
248.09991	11.6
289.10812	3.2
344.47238	2.1
361.26932	2.3
361.31870	1.9
431.95987	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88333	2.8
59.01368	44.3
62.97793	2.5
68.85995	2.3
69.03467	3.0
69.56474	19.4
71.01376	26.1
79.05537	7.3
83.01360	4.5
85.02926	4.8
89.02434	26.2
91.05543	2.8
93.03471	5.2
95.01358	5.6
97.02926	11.8
101.02429	13.6
107.05009	5.7
111.04512	6.0
113.02428	17.7
119.03463	7.6
128.94362	2.5
129.07088	7.7
133.08241	2.6
143.03436	3.4
143.08655	10.1
147.04390	3.1
157.10172	5.6
159.11781	56.6
160.12064	3.4
161.04619	3.8
169.06520	2.7
170.07388	14.8
179.05605	3.7
183.08095	3.9
183.11774	5.1
185.09735	38.9
195.00549	2.6
200.71878	2.7
201.12712	4.0
203.10764	100.0
204.11136	7.6
208.41695	2.5
211.07567	2.6
215.53047	2.5
227.10689	4.9
229.08653	13.1
247.09734	70.7
248.10051	6.0
271.09647	4.9
289.10443	3.9
310.36096	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	409.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03452	0.9
58.00586	2.6
59.01373	55.9
61.52000	0.7
61.98817	2.5
62.16411	0.6
62.96790	0.6
69.03451	2.9
69.65729	3.3
71.01377	26.8
72.99291	2.7
73.02947	2.5
79.05527	9.8
81.85816	0.7
83.01379	4.7
83.05022	1.4
85.02940	8.7
87.00873	1.0
89.02434	21.8
89.02995	1.2
91.05528	1.7
93.03442	2.3
95.01377	3.5
95.04993	1.3
96.95995	3.3
97.02948	10.2
99.04488	3.6
101.02430	14.2
103.68635	0.8
105.07076	1.9
107.05026	4.5
109.06599	5.2
111.04495	6.2
113.02441	18.3
117.07103	1.1
119.03502	7.3
119.08647	0.7
121.02842	0.7
125.06055	3.2
129.07088	7.5
130.07355	0.8
131.03485	0.7
131.08662	1.6
133.06598	2.2
133.10211	1.4
135.04578	1.2
142.07866	1.5
143.08655	13.2
145.06512	0.8
147.04610	0.8
147.08113	1.4
155.03481	2.6
155.08658	2.1
157.06583	1.1
157.10217	5.7
158.10439	0.7
159.11772	59.4
160.12105	3.7
161.04565	1.3
161.06047	1.1
170.07353	7.1
171.07872	0.9
175.07605	0.8
179.05608	1.5
183.08118	3.3
183.11823	4.0
185.09691	18.3
186.10007	1.1
187.11255	2.2
189.93990	0.6
191.07150	1.1
199.11234	1.9
201.12827	9.7
202.13153	0.7
203.10747	94.7
204.11110	6.9
215.10818	0.7
217.12361	3.2
227.10767	3.2
229.08669	2.5
243.13824	1.2
245.11789	5.8
247.09715	100.0
248.10043	8.7
257.11743	0.9
289.10803	5.1
290.11273	0.8
300.03430	0.8
349.12961	1.0
409.14178	1.1
409.19083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1624
Annotation	paxanthonin
Peak:m/z	Relative Intensity
59.01373	55.4
61.98812	4.8
69.57408	14.4
71.01375	8.8
78.95864	3.1
79.05522	4.7
83.01379	2.1
85.02946	3.2
89.02436	7.0
96.96004	4.8
101.02429	5.9
111.04433	2.3
113.02426	6.4
118.59100	2.1
119.03541	2.2
121.06516	2.1
131.48967	1.9
159.11757	22.5
171.51276	1.9
185.09637	3.8
203.10699	18.5
209.11797	100.0
210.12120	7.0
219.21489	2.4
238.09279	2.0
245.11836	2.3
247.09671	21.6
248.10252	3.4
363.12561	2.4
373.18503	5.5
409.16180	26.1
410.16534	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	409.186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61202	0.4
57.03431	1.2
59.01387	2.2
60.99310	0.6
61.98812	0.6
65.98377	0.4
67.01883	4.9
69.03441	1.2
71.01377	3.1
77.12046	0.4
77.83692	0.4
78.95888	0.6
81.03438	1.0
82.01736	0.5
83.05011	1.1
85.02929	0.7
86.26508	0.4
87.13487	0.5
91.04314	0.4
93.03448	27.8
94.03797	1.1
96.95986	0.6
98.20670	0.8
109.02944	0.9
111.00868	1.3
111.04505	4.9
113.02430	0.5
116.92863	0.6
137.02419	5.1
155.03482	5.4
173.04524	100.0
174.04860	3.9
234.47911	0.5
235.13347	14.8
236.13751	1.0
288.36627	0.5
310.73669	0.5
409.13470	0.8
409.18463	4.6
410.18869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78928	0.7
55.01857	1.2
57.03431	1.5
58.08057	0.9
59.01374	100.0
60.01708	1.3
61.98813	1.3
71.01374	28.1
72.99308	1.7
73.02931	3.7
83.01376	2.3
85.02944	8.0
86.55756	0.8
89.02436	32.3
95.01374	2.1
99.00876	1.6
101.02428	21.8
108.02147	1.3
113.02431	11.9
114.05605	1.4
119.03490	12.4
131.03477	1.7
143.03526	3.9
151.03954	1.1
156.06636	1.0
161.04555	12.7
162.76817	0.9
168.41524	0.8
173.04532	3.1
179.05577	9.2
185.00792	0.8
187.13335	5.4
222.46594	0.8
225.03270	1.1
254.13696	1.0
295.10318	3.1
349.18613	50.5
350.18887	4.8
352.91641	0.9
409.20792	1.7
434.77606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2355
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
53.69971	0.3
59.01375	0.6
61.98801	0.3
63.33627	0.2
70.92638	0.6
78.95894	68.4
91.64267	0.3
92.11237	0.3
93.76819	0.3
95.18014	0.2
96.96950	5.0
108.30197	0.2
134.02098	0.3
150.98036	1.8
152.99568	100.0
153.99907	1.7
171.00604	2.7
255.23259	2.2
409.23547	16.8
410.23801	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	410.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.1
60.01702	0.6
61.01822	0.6
61.18188	0.5
61.98823	100.0
69.52503	4.3
71.01367	3.3
75.00880	1.8
82.95388	0.6
87.00848	0.7
89.02455	3.7
89.02905	0.7
96.97039	0.6
101.02425	1.4
101.06078	0.8
107.96288	0.6
113.02447	1.5
115.87782	0.6
119.03519	1.5
149.87663	0.5
161.04576	0.8
179.05560	0.9
260.57205	0.6
303.98700	0.7
308.49771	0.8
350.19144	2.0
411.14999	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	410.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52011	0.8
59.01365	3.1
61.98825	100.0
69.37225	6.7
69.37543	1.4
69.52174	0.9
70.27513	0.7
77.27428	0.8
78.95892	1.5
84.79134	0.8
88.60318	0.8
98.19833	1.4
105.58483	0.8
106.00288	0.8
118.55665	0.9
135.97345	0.8
143.00719	0.8
173.33340	0.8
247.09694	1.5
248.10072	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	410.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37866	0.5
55.09179	0.5
57.58347	0.4
59.01372	5.6
60.01697	1.3
61.98823	100.0
70.89211	1.3
71.01379	2.0
71.21346	0.4
75.00873	1.3
77.90536	0.4
89.02440	2.1
101.02428	1.0
101.06105	0.6
113.02471	0.7
113.95905	0.5
119.03444	0.8
167.58908	0.4
184.44400	0.5
251.24515	0.5
304.08972	0.5
350.18781	0.8
410.21002	0.5
411.10025	0.5
411.14825	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	410.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08288	0.5
58.33709	0.4
59.01373	1.9
61.98822	100.0
64.55660	0.4
69.68517	2.4
71.01376	1.3
78.95908	0.9
85.02959	0.4
86.28622	0.4
96.96004	8.4
101.02471	0.6
111.29720	0.5
113.02435	0.5
119.03549	0.5
137.85881	0.4
159.11774	0.8
160.12079	0.8
164.87964	0.4
179.03494	0.5
181.07231	0.4
186.10051	0.4
201.17007	0.4
203.10739	1.1
204.11060	0.9
218.74733	0.4
228.13261	0.9
247.09641	0.5
248.10065	0.6
411.15170	0.7
411.20544	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	411.0234
Annotation	Turgorin
Peak:m/z	Relative Intensity
52.43107	0.5
57.03430	0.5
59.01376	6.8
61.98828	3.4
63.87553	0.3
66.00409	0.4
66.47103	0.4
69.03439	0.7
70.88358	0.9
71.01371	9.1
72.99291	0.5
73.02946	2.5
75.00831	0.6
78.95869	0.4
79.95715	3.2
80.96508	3.4
83.01382	1.2
85.02936	4.1
87.00867	2.1
89.02434	3.5
93.03472	0.5
95.01367	0.9
95.95188	0.4
96.96000	100.0
97.02926	1.0
97.95936	0.5
98.95581	3.6
98.96381	0.6
99.00883	1.2
101.02432	6.1
107.05044	0.4
113.02451	4.4
119.03499	1.3
122.97562	0.9
125.02432	14.9
129.82487	0.4
135.04500	0.9
138.97049	9.7
143.03473	0.9
149.04497	0.4
150.03023	0.5
150.97049	1.4
151.07571	0.9
152.01138	0.4
159.06609	0.5
161.02446	0.9
161.04523	2.7
164.98615	1.0
165.05528	1.0
166.05862	0.6
168.00670	0.5
168.98164	0.8
169.01408	22.7
170.01741	0.9
179.03560	0.6
179.05560	1.0
180.98062	1.1
189.07695	0.4
191.05577	2.0
201.01646	0.4
213.07637	0.9
222.99149	2.3
237.04376	0.7
241.00200	61.8
242.00525	2.1
242.99887	1.4
249.09761	3.5
331.06427	2.4
346.59753	0.4
353.08591	0.4
375.07050	3.2
375.12592	2.3
411.02292	51.8
411.14520	4.7
412.02753	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	411.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19558	6.8
59.01371	81.2
69.41923	67.0
71.01376	51.3
78.69033	6.8
85.02969	10.8
89.02435	96.5
101.02441	27.5
106.28096	7.7
113.02442	32.6
114.31078	7.1
119.03487	31.5
139.18834	7.0
161.04512	20.8
165.05565	16.9
179.05583	100.0
193.22337	6.9
200.18048	7.6
229.07191	10.1
231.84189	8.1
287.27496	7.2
411.10468	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	411.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	25.5
69.68292	22.5
70.41707	3.1
71.01368	12.7
73.02920	4.3
78.95898	8.4
79.95724	4.5
85.02966	5.6
87.00844	4.5
88.27457	3.3
89.02434	16.1
89.28960	2.9
91.33639	2.9
96.95994	100.0
96.96956	13.6
98.95586	26.1
98.96443	5.6
101.02447	6.2
113.02437	8.2
119.03498	5.4
119.39223	3.6
125.02412	5.0
138.97073	7.1
150.03185	4.7
157.01530	3.5
161.04475	5.8
165.05559	12.9
169.01390	24.2
179.05588	12.2
190.78192	3.4
203.13040	3.3
229.07121	9.0
240.06790	3.7
241.00209	58.3
242.00462	4.9
242.99742	6.9
243.98207	4.2
267.07175	4.4
298.88129	3.6
367.18680	3.9
411.02255	47.6
411.09280	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	100.0
59.74624	13.0
61.98815	41.9
68.14552	15.0
71.62653	15.9
78.95905	15.8
117.52686	13.3
139.40094	14.3
291.08984	15.1
292.23196	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	411.1657
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
51.68214	1.2
52.00132	1.1
52.29239	1.1
58.00572	1.5
59.01370	23.0
59.43732	1.1
60.99085	1.3
61.98824	3.2
66.88497	1.1
71.01373	22.1
71.12411	2.5
72.99326	1.2
73.02926	2.3
79.05521	1.3
81.03433	1.4
81.07075	2.6
83.01373	3.5
83.05026	1.6
85.02940	3.7
87.00874	1.4
89.02444	7.2
91.50967	1.2
93.03454	6.3
95.04984	1.2
96.95987	1.7
99.00851	1.8
99.04515	15.1
101.02438	10.6
107.05012	2.2
111.00852	2.3
111.04510	8.8
113.02451	5.1
113.06059	1.7
119.03458	1.7
119.05008	1.6
135.04547	2.3
138.03220	1.5
147.11752	2.7
148.08928	2.7
161.13356	16.1
163.07631	2.5
173.04517	20.2
179.05602	2.3
183.51178	1.1
185.09682	2.3
185.13339	3.6
187.11256	25.3
188.11513	2.3
191.14488	1.2
192.08014	1.7
201.12842	3.2
203.10701	1.7
203.14337	5.2
205.12291	50.7
206.12602	3.8
215.14447	1.3
219.13847	6.4
226.24651	1.6
229.12291	15.4
231.10252	1.9
247.13361	11.6
248.10457	1.4
248.60794	1.7
249.11270	100.0
250.11638	6.7
259.13358	3.7
273.11328	2.1
279.17285	1.7
291.12372	16.5
292.12497	1.3
303.12500	1.6
321.13385	2.6
351.14398	17.6
352.14771	2.2
411.16348	12.4
412.16727	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81700	1.3
58.00576	2.1
59.01371	50.5
61.98826	13.8
69.49762	10.8
71.01373	23.8
72.99257	1.4
73.02944	1.8
78.95911	2.9
79.05501	1.5
79.95727	5.8
81.03461	2.1
81.07101	2.2
83.01376	1.4
83.05025	2.9
85.02932	6.7
89.02442	20.6
93.77518	1.6
95.01362	2.5
96.96001	96.2
99.00931	1.5
99.04507	3.3
101.02402	8.0
107.05087	2.1
113.02429	17.6
116.53782	1.3
119.03496	7.3
135.04543	3.8
141.95836	1.5
143.03513	2.2
145.75594	1.4
152.89868	1.5
154.41170	1.6
161.02414	2.9
161.04568	1.8
161.13339	12.8
162.13704	2.8
179.03516	1.4
179.05589	5.9
181.07211	2.4
185.13300	2.7
187.11270	9.5
202.75757	1.5
203.10800	1.9
205.12305	100.0
206.12624	7.3
209.11804	29.4
210.12183	3.3
219.13884	1.8
229.12361	10.9
231.10318	2.7
247.09747	2.5
249.11304	25.0
250.11557	3.1
291.12491	4.2
411.16354	2.1
411.20572	47.9
412.20819	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	411.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22317	2.1
69.55498	5.2
69.55903	12.0
149.64403	2.1
183.13885	8.6
195.13911	6.7
197.02322	3.0
213.14932	100.0
214.15285	5.8
227.03932	2.3
411.17645	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	411.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39933	0.7
57.03437	11.6
57.04690	0.7
59.01372	100.0
60.01711	0.8
69.03465	0.9
69.37976	5.9
69.38303	0.8
71.01370	7.6
73.02947	1.9
77.26503	0.8
82.88759	0.7
82.89342	0.6
83.04943	0.7
85.02952	1.5
97.02946	0.8
99.00861	0.8
101.02442	2.0
109.06573	1.1
113.02401	1.5
127.95733	0.8
137.09692	2.9
149.09700	0.9
192.11557	6.9
203.05623	2.5
203.10753	1.1
207.13853	36.6
208.14215	2.6
218.04323	0.7
428.85086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01710	1.3
69.03442	1.1
69.25082	2.1
69.25504	7.9
71.01373	23.0
73.02940	31.8
75.35661	0.9
77.21361	1.0
78.95903	1.8
83.01371	8.5
85.02918	4.8
89.02442	8.9
94.68793	1.1
95.01367	1.3
96.95994	6.2
97.02921	1.2
101.02432	26.2
113.02444	10.5
119.03497	3.6
125.02384	1.3
131.03488	2.2
137.09717	10.2
143.03476	1.5
149.04475	1.2
161.04536	5.5
169.50967	1.2
182.80377	0.9
189.12837	1.3
411.20569	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15006	0.5
59.01371	100.0
60.01701	1.0
61.98827	4.3
68.65401	0.6
71.01373	14.4
72.99308	1.0
73.02942	8.2
75.43678	0.5
78.95903	1.8
79.05521	0.7
83.01376	2.0
85.02929	4.0
87.00866	0.7
89.02431	6.0
95.01386	1.6
95.75296	0.6
96.95996	5.0
97.02956	0.7
99.00920	0.7
99.04536	0.5
101.02432	9.5
111.04525	0.7
113.02435	8.8
119.03476	1.6
129.07114	0.6
131.03488	1.3
137.09709	2.8
143.03462	1.3
143.08679	1.3
155.03477	0.8
157.10275	0.8
159.11758	6.3
161.02412	0.6
161.04550	3.7
179.05515	0.6
181.07152	3.2
183.87242	0.5
185.09764	0.9
189.12866	1.3
203.10745	10.0
204.11168	0.9
247.09703	11.2
248.10164	1.6
285.27100	0.5
411.15875	3.9
411.20969	1.7
412.21008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
57.45875	0.7
59.01373	100.0
60.01712	1.5
61.98814	3.9
64.60228	0.7
71.01373	17.1
72.99336	1.2
73.02935	8.1
74.71201	0.6
78.95900	1.9
79.05518	1.4
80.51615	0.6
83.01376	1.7
85.02943	3.7
89.02429	6.5
91.08071	0.7
92.11861	0.7
95.01387	1.4
96.95992	5.1
98.19831	1.6
99.64415	0.7
101.02430	10.0
101.02992	0.9
113.02442	9.5
119.03471	1.8
131.03531	1.2
137.09727	3.6
137.65967	0.7
143.03503	0.9
143.08691	1.0
149.04504	0.9
159.11761	7.1
161.04578	2.8
165.18614	0.7
170.21729	0.9
179.05643	0.9
181.07175	3.2
203.10759	9.8
204.11023	0.7
225.24788	0.8
247.09721	13.4
248.10010	1.2
248.60957	1.0
249.11090	0.9
411.16153	4.6
411.21375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.3
69.92456	0.2
70.45703	0.7
73.99689	0.2
79.95730	1.8
96.95998	100.0
97.95947	0.3
117.38202	0.2
119.05031	0.5
133.02927	0.3
144.54039	0.2
161.02376	0.6
163.03978	0.4
177.66667	0.2
237.07620	0.5
269.91446	0.2
341.38040	0.3
388.40143	0.2
411.20496	44.2
412.20828	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	411.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31087	2.5
59.01374	21.2
61.98830	18.7
71.01382	4.8
71.61195	2.7
71.61578	2.4
72.99310	4.0
74.39775	2.4
75.00864	57.6
76.40775	2.1
84.18515	2.1
89.02425	5.0
99.00869	7.7
113.12021	2.1
117.01896	3.7
121.10204	18.5
135.01962	4.1
135.02980	57.6
143.24422	2.3
171.10239	44.8
231.21071	3.4
275.16956	2.5
275.17581	1.5
275.20084	86.8
276.20486	7.9
293.21182	100.0
294.21533	12.3
311.22137	16.3
338.79138	2.6
357.13983	2.6
409.33810	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	411.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77761	0.7
59.01371	13.6
59.71867	0.6
61.98825	8.1
71.01385	3.7
71.61010	1.1
72.99286	2.9
75.00864	37.4
88.32751	0.7
89.02441	6.2
96.95951	0.7
99.00867	1.3
103.07494	0.8
117.01942	1.8
135.02983	35.9
136.03354	0.9
145.08157	0.7
179.14342	0.9
192.38776	0.6
195.13902	6.7
205.12373	0.9
223.13399	4.7
256.13116	1.2
275.20105	4.8
293.21182	100.0
294.21533	10.5
317.27551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
60.01725	1.0
69.23825	6.2
90.73336	0.6
98.09579	0.6
292.14859	0.7
343.66937	0.7
393.57761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43297	0.3
52.77039	0.3
55.17583	0.3
59.01371	1.2
61.98823	100.0
63.99252	0.3
69.11860	0.2
69.38453	1.2
69.38873	1.1
71.01375	1.5
75.00851	0.5
75.09921	0.3
79.62894	0.3
85.02950	1.2
87.00889	0.4
89.02439	0.6
93.03416	0.3
99.00871	0.5
101.02470	0.4
113.02451	1.6
119.05029	1.1
145.02962	1.1
163.04056	1.3
173.04594	1.1
183.68375	0.3
190.40213	0.3
191.05571	0.8
239.09253	1.0
267.07162	5.7
267.09824	0.4
331.30502	0.3
342.47913	0.4
352.19568	0.8
413.10419	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	412.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.7
61.98822	100.0
68.12477	0.4
69.80045	1.6
71.01367	0.6
75.00842	0.5
85.02969	0.6
89.59490	0.4
93.03471	1.2
99.00961	0.3
111.04527	0.3
112.36726	0.4
113.02430	0.5
119.05007	0.8
163.03969	0.8
173.04514	3.0
191.05643	1.8
195.10205	0.4
239.09248	2.4
267.07269	2.2
413.10712	1.0
413.15134	0.5
422.99423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30903	0.4
50.84440	0.4
59.01376	2.8
61.98826	0.8
69.81173	1.9
71.01374	2.0
73.02953	0.6
78.95896	15.3
78.96364	0.7
79.95730	2.4
83.01397	0.5
85.02948	1.2
87.88222	0.3
89.02447	1.0
96.96001	100.0
96.96948	32.1
98.02472	0.6
98.95569	0.4
101.02426	1.9
109.02912	0.5
111.02204	0.4
113.02448	0.7
123.04504	0.5
135.04489	1.5
136.44615	0.4
149.06078	0.5
153.05565	0.8
161.02370	0.5
161.04541	0.9
163.04031	0.3
179.03314	0.4
189.05670	0.6
207.06554	0.6
221.10294	4.6
222.10725	0.3
251.02379	0.7
267.07120	0.3
315.10849	0.9
353.05478	0.9
353.14505	4.0
375.06876	0.7
393.95340	0.4
413.07352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53658	0.3
52.09595	0.3
64.77351	0.4
71.37115	0.7
75.64111	0.4
78.95893	15.9
79.14580	0.3
79.95719	2.4
85.64982	0.3
96.96001	100.0
96.96950	36.1
98.95564	0.4
113.78810	0.4
135.04449	0.4
161.99532	0.4
315.10730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.4
62.36980	0.6
69.67889	3.6
71.01368	0.7
73.02921	0.6
78.95894	50.8
79.95731	1.7
89.02438	1.0
96.96002	88.1
96.96954	100.0
98.20575	1.2
113.02393	0.9
124.30598	0.5
137.87126	0.6
150.04158	0.7
165.62553	0.5
180.15405	0.6
267.07120	0.8
306.88858	0.6
347.85547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31303	0.4
59.01361	1.3
69.67937	1.3
69.68356	2.0
71.01386	0.6
78.95894	48.5
79.95731	1.8
80.30189	0.5
85.02938	0.5
89.02428	0.6
96.95992	73.5
96.96941	100.0
98.02464	1.0
98.19838	0.5
113.02430	1.0
129.97995	0.5
148.52710	0.5
149.47066	0.5
191.04117	0.5
264.55051	0.5
267.07150	1.2
296.97897	0.6
353.05673	1.0
413.10394	0.7
417.30780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33661	23.7
57.11816	24.9
59.01366	100.0
60.38111	23.7
63.35455	21.5
68.97324	21.4
68.99818	45.8
71.01373	26.0
71.62721	23.6
85.02927	26.8
92.90649	22.5
93.03409	22.6
95.05045	35.6
101.02431	87.9
111.00859	52.5
111.04420	24.1
113.02427	36.5
119.05021	33.2
127.04012	28.5
137.06039	31.3
153.78073	23.7
161.02441	59.7
261.33411	27.2
275.09262	58.0
291.08636	68.0
377.12228	75.3
380.50418	24.9
383.54697	24.6
414.12320	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73536	3.5
55.17778	4.5
59.01370	82.5
61.37468	3.4
61.98826	11.2
62.22414	3.1
67.01880	8.4
68.99805	24.7
69.03442	9.1
82.14565	3.9
93.03406	3.6
95.01382	9.4
95.05016	100.0
95.05596	7.4
101.02430	36.5
105.01927	5.3
111.00854	68.5
113.02428	7.1
119.19817	3.7
121.02948	25.0
123.06570	3.7
125.02573	4.4
127.03998	34.1
135.04463	4.4
137.06053	4.1
139.00359	45.5
139.03984	44.5
147.04486	13.3
149.02420	66.4
153.05574	11.0
159.63377	3.9
171.03036	3.7
179.03487	4.8
191.03505	6.4
195.06639	29.6
232.09695	5.5
239.05643	7.6
275.05582	18.7
275.09219	84.3
276.09406	5.8
307.08191	83.8
335.14975	5.2
345.09726	8.0
358.51047	3.9
377.12354	20.1
382.66046	4.9
392.14917	4.8
430.95981	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	413.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01919	0.8
57.03497	2.1
59.01118	1.5
59.01437	19.6
61.23126	0.7
64.10520	0.7
70.88683	1.9
71.01035	1.2
71.01447	18.7
72.99307	4.4
73.02998	1.6
75.00866	11.2
81.03504	0.8
83.01446	1.6
85.02471	1.0
85.02946	22.1
86.03358	0.7
87.00875	7.5
89.02525	6.6
93.03526	2.0
95.01407	4.4
99.00874	6.3
101.02490	1.2
101.60738	0.7
103.00391	1.5
113.02438	27.4
115.00433	1.6
117.02026	1.7
117.03475	3.7
119.05017	18.6
129.02023	2.3
135.08138	0.7
145.02943	19.1
157.01556	0.8
163.03993	17.5
164.04417	1.1
173.04556	6.9
175.02515	1.8
191.05618	6.1
193.03517	1.2
195.10269	2.2
207.05035	1.3
237.07716	2.2
239.09198	8.3
240.09579	0.9
249.06143	6.5
267.07178	100.0
268.07559	5.2
395.09219	0.9
413.10602	27.1
414.10956	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	413.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59724	1.2
55.01863	1.2
57.03412	4.7
59.01373	23.3
61.98802	4.4
67.01853	3.7
68.99797	2.4
69.03437	2.0
71.01372	21.1
71.62266	2.4
72.99275	3.8
75.00861	15.4
78.95874	2.9
80.19711	1.3
81.03440	1.3
83.05016	1.4
85.02940	25.1
87.00866	18.5
89.02425	10.7
89.29926	1.2
93.02853	1.5
93.03446	21.3
95.01354	5.1
96.96933	1.4
99.00854	9.6
101.02429	1.9
103.00346	1.8
109.02895	1.7
111.00838	2.6
111.04490	3.4
113.02427	30.6
115.00329	2.2
117.01878	3.0
117.03397	3.0
119.05012	42.8
120.05299	2.1
121.02905	2.4
126.07644	1.3
129.01866	5.4
134.03677	5.9
135.04462	1.9
137.02446	6.4
145.01891	1.4
145.02953	20.2
148.48781	1.5
149.06068	2.5
155.03430	2.3
160.01556	2.6
161.02412	2.9
162.16357	1.3
163.02744	2.2
163.03987	31.9
163.06029	1.3
164.04350	1.8
173.03085	2.5
173.04520	39.4
174.04814	2.0
175.02504	2.4
175.03926	5.4
178.02597	4.3
179.03516	2.1
179.07042	5.0
191.03941	1.8
191.05585	29.4
193.05037	10.6
207.04916	1.9
237.07648	1.7
239.05486	1.7
239.09247	7.1
243.56358	1.5
249.03766	1.6
249.06131	22.5
250.06485	1.5
251.05524	4.8
267.07166	100.0
268.07407	4.4
305.05878	1.4
325.09283	1.7
395.09317	1.6
413.10559	63.1
414.10956	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	413.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03425	3.4
59.01096	1.5
59.01372	21.2
61.98829	12.3
67.01894	1.1
68.99803	1.9
69.03441	0.9
69.44664	6.4
71.01378	22.0
72.99281	5.8
73.02920	1.5
75.00452	0.9
75.00861	14.4
81.03431	1.4
83.01386	1.5
85.02431	1.3
85.02938	24.6
87.00863	17.1
89.02421	6.8
91.03976	1.0
93.03436	2.7
95.01377	5.2
97.84031	0.8
99.00863	10.1
101.02435	1.2
103.00348	2.7
109.02950	0.9
110.72559	0.8
111.04510	1.0
113.02438	29.3
115.00355	2.1
117.01920	2.4
117.03414	3.5
118.98075	0.9
119.05013	39.8
120.05319	1.2
121.02855	0.8
123.04419	0.8
129.01936	4.2
134.03702	2.9
135.04521	2.3
143.41176	0.8
145.01842	1.3
145.02939	17.3
149.05981	0.9
157.01390	1.1
161.02377	2.3
163.03986	39.5
164.04405	1.0
173.04497	5.8
175.02483	1.6
175.03938	2.0
178.02702	1.0
179.03313	1.7
189.04018	1.1
191.05490	3.9
193.05092	4.4
204.02428	0.9
207.05066	1.8
237.07660	3.3
239.09167	1.6
249.06108	24.2
250.06488	1.1
251.05498	1.8
265.07071	1.1
267.07169	100.0
268.07590	4.4
325.09082	1.5
395.09622	1.4
413.10782	47.0
414.11136	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	413.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45752	0.8
57.03440	1.4
59.01372	55.1
64.39233	0.9
67.01891	3.9
69.03455	1.3
69.88011	4.7
71.01358	5.3
80.78385	0.8
81.03456	1.8
83.05019	2.1
85.02952	5.7
87.00864	1.3
93.03447	29.0
95.05041	1.0
97.06528	1.0
99.00880	2.1
109.02953	1.5
109.06593	0.8
111.04510	7.7
113.02464	2.3
119.04996	2.2
127.03993	1.6
135.04485	2.0
135.08171	1.3
137.02403	6.6
141.05574	3.9
145.02959	1.7
151.11258	1.5
151.50606	0.8
155.03502	7.4
155.81186	0.8
163.03989	2.1
173.04520	100.0
174.04869	4.4
177.09206	3.6
191.05586	47.3
192.05927	1.2
195.10262	19.1
196.10561	1.2
239.09213	59.7
240.09607	4.5
267.07135	5.9
300.30673	0.9
413.14575	29.9
414.14990	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	413.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
58.05963	0.7
59.01372	47.7
60.99282	0.7
61.98804	1.2
67.01883	4.3
69.03424	1.4
70.61938	2.2
71.01370	5.3
71.69866	0.7
76.84366	0.6
81.03419	1.7
83.05013	1.7
85.02938	6.0
87.00848	1.2
93.03448	29.5
97.06582	1.2
98.19945	0.9
98.20512	1.1
99.04554	0.8
109.02919	1.5
109.06600	1.9
111.00850	1.1
111.04511	6.6
113.02428	1.9
119.04988	2.1
127.04009	1.2
130.92627	0.7
133.06613	0.7
133.10204	1.2
135.04533	0.9
135.08144	1.7
137.02438	4.7
141.05548	4.2
145.02888	0.9
151.11217	1.1
155.03450	6.0
163.03964	1.8
173.04526	100.0
174.04913	3.7
177.09213	2.4
179.03328	0.7
191.05589	48.3
192.05920	1.8
195.10254	17.8
196.10550	1.3
212.20239	0.8
239.09209	61.8
240.09593	4.0
249.06009	1.2
267.07208	4.8
381.81415	0.7
413.14639	30.2
414.15015	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	413.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.40504	1.3
64.62054	1.5
69.47224	10.4
71.01368	23.3
73.02943	3.4
81.03435	2.0
83.01403	2.3
85.02940	7.2
85.84717	1.3
89.02444	15.8
93.03416	1.4
95.04991	1.7
98.10217	1.3
101.02426	13.0
111.04517	2.4
113.02416	13.1
119.03478	5.9
120.05767	7.8
121.06562	4.4
131.03476	1.6
137.09694	2.9
143.03397	1.9
152.04797	3.0
161.02379	3.3
161.04514	3.8
161.13324	5.8
163.07579	2.3
163.14977	3.1
173.04515	3.4
179.05595	3.0
181.07124	7.1
187.11263	2.8
189.12819	23.4
191.14381	2.0
195.13885	17.9
205.12355	10.6
207.13879	88.3
208.14177	6.2
223.84091	1.3
231.13895	12.0
233.11761	4.9
239.12866	13.4
249.11205	9.0
251.12862	60.9
252.13107	4.2
275.12729	4.7
293.13849	2.3
371.20627	2.0
413.18008	16.5
413.61203	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1813
Annotation	Dichotomoside E
Peak:m/z	Relative Intensity
57.03423	1.2
58.00582	1.2
59.01371	53.7
70.90160	0.8
71.01373	17.5
73.02934	2.9
75.00871	0.8
75.31894	0.8
75.84024	0.9
80.02681	5.8
83.01360	1.2
83.05035	1.0
85.02942	6.3
87.00861	1.1
89.02433	13.3
93.03432	1.3
95.01390	2.3
99.04492	1.7
101.02432	12.8
111.00805	0.9
111.04495	1.9
112.58687	0.8
113.02435	11.2
113.12485	0.9
114.93446	0.8
119.03464	3.1
120.05795	3.3
121.06561	2.8
122.03716	0.9
135.04506	1.2
136.95166	0.8
143.03482	1.1
152.04764	1.2
161.04565	4.4
161.13359	1.9
163.14912	2.1
169.90927	0.9
173.04524	3.6
179.03432	1.2
179.05542	4.7
181.07222	1.8
187.11160	1.0
187.14867	1.1
189.12819	21.4
190.13164	2.1
195.13863	20.0
205.12370	4.4
207.13863	38.0
208.14136	3.1
231.13853	5.6
233.11777	8.0
239.12834	14.0
249.11288	4.8
251.12828	100.0
252.13150	8.7
268.47131	0.9
275.12790	5.5
292.34244	1.0
293.14154	1.1
317.13968	1.3
396.47067	0.9
413.18048	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	413.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99632	1.7
57.03385	1.8
59.01370	33.4
61.96418	2.0
69.66767	13.6
71.01361	17.7
71.08806	1.9
73.02908	4.5
78.95863	3.1
81.07056	3.3
83.05019	3.4
85.02937	5.1
89.02424	13.0
95.04974	2.8
96.95953	2.0
99.04503	7.0
101.02431	17.0
107.05000	3.8
111.00845	2.6
113.02391	4.3
119.03493	3.2
135.04515	3.3
161.02383	2.4
161.12135	3.3
161.13345	41.8
162.13666	2.7
163.06075	6.2
181.07155	40.1
187.11224	4.2
188.62999	2.1
205.12291	84.4
206.12561	7.4
231.10265	2.8
249.11284	100.0
250.11607	10.7
251.11992	9.3
369.78662	2.4
413.18039	79.6
414.18399	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	413.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	2.1
59.01369	22.2
66.20295	1.5
66.38761	1.7
71.01379	15.3
72.99329	1.7
73.02930	3.9
79.05531	2.5
81.07091	3.2
83.01382	3.8
83.05006	2.5
85.02940	4.3
87.56322	1.9
89.02431	14.3
92.68346	1.6
95.05019	3.3
96.95984	4.3
99.04497	6.4
101.02419	18.6
113.02409	5.0
119.03441	4.0
123.34020	1.7
130.08720	2.5
135.04497	2.9
143.74303	1.6
161.13347	49.1
162.13687	5.0
163.06075	7.4
164.43759	1.8
170.96262	1.8
181.07166	49.8
187.11244	4.4
205.12302	87.6
206.12573	5.4
231.10225	2.6
249.11279	100.0
250.11597	9.8
371.54465	2.1
413.18054	86.1
414.18350	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	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03433	0.7
59.01373	100.0
60.01705	1.4
63.98860	0.5
65.81830	0.4
68.42425	0.4
71.01373	7.4
71.61662	0.4
72.99284	0.8
73.02941	3.1
79.62061	0.4
83.01398	0.5
85.02953	2.5
89.02444	3.7
95.01405	0.6
95.05027	0.6
99.04505	3.0
101.02432	6.3
107.05016	0.7
113.02434	4.9
119.03527	1.3
127.04198	0.4
133.03006	1.3
135.04506	4.8
143.03511	0.7
161.02403	3.6
161.04526	2.1
179.03458	3.3
179.05608	0.6
179.10793	1.1
189.12840	1.0
191.14456	1.0
201.38281	0.5
207.13809	3.0
221.15501	0.7
251.12862	10.8
252.13268	0.5
258.22137	0.5
275.09348	0.6
275.13104	0.5
311.09531	6.3
371.20889	0.4
377.12845	0.7
391.15680	0.7
392.15045	2.3
414.14481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04181	0.2
57.03441	0.3
57.46927	0.2
59.01371	100.0
60.01699	1.4
63.75867	0.3
69.37437	2.1
71.01364	2.4
73.02952	0.9
74.71199	0.3
81.99489	0.2
85.02948	0.7
88.49258	0.2
89.02433	0.5
95.01374	0.2
96.95996	1.7
101.02428	1.0
108.36430	0.2
113.02443	1.1
113.76538	0.2
130.08759	0.4
161.04567	0.7
184.75073	0.3
188.46182	0.2
191.14435	0.2
212.83755	0.2
413.22296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61460	0.4
57.03439	0.5
59.01373	100.0
59.58595	0.4
60.01708	1.5
71.01368	2.7
71.05016	0.5
71.95485	0.4
73.02939	0.9
76.78100	0.3
77.76924	0.4
81.03458	0.4
83.01402	0.5
85.02959	1.3
85.82542	0.4
89.02454	1.7
93.03445	2.4
96.96029	0.6
98.95610	0.4
99.04507	0.6
101.02464	1.2
111.04524	0.7
113.02449	1.4
133.54987	0.4
135.04550	1.4
137.02466	0.4
161.02446	1.1
173.04533	7.5
179.03558	0.9
179.05696	0.5
195.06635	3.7
195.13947	0.6
196.06958	1.6
211.13380	1.2
239.12869	0.8
311.09708	0.4
330.93811	0.4
357.01340	0.4
376.61478	0.5
377.21072	0.7
413.17926	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	413.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61460	0.4
57.03439	0.5
59.01373	100.0
59.58595	0.4
60.01708	1.5
71.01368	2.7
71.05016	0.5
71.95485	0.4
73.02939	0.9
76.78100	0.3
77.76924	0.4
81.03458	0.4
83.01402	0.5
85.02959	1.3
85.82542	0.4
89.02454	1.7
93.03445	2.4
96.96029	0.6
98.95610	0.4
99.04507	0.6
101.02464	1.2
111.04524	0.7
113.02449	1.4
133.54987	0.4
135.04550	1.4
137.02466	0.4
161.02446	1.1
173.04533	7.5
179.03558	0.9
179.05696	0.5
195.06635	3.7
195.13947	0.6
196.06958	1.6
211.13380	1.2
239.12869	0.8
311.09708	0.4
330.93811	0.4
357.01340	0.4
376.61478	0.5
377.21072	0.7
413.17926	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	413.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85588	0.2
57.03427	0.2
59.01371	100.0
60.01700	1.0
61.98818	0.6
69.38641	0.2
69.90823	0.2
71.01378	2.5
71.61636	0.2
73.02942	0.9
75.39518	0.2
83.01392	0.2
85.02932	0.8
89.02441	0.4
92.24551	0.2
95.01388	0.2
96.95995	2.9
101.02459	1.2
113.02435	0.8
130.08774	0.3
135.04514	0.3
146.34854	0.2
161.04553	0.6
191.14244	0.3
198.60574	0.2
203.05624	0.2
249.11185	0.2
261.87106	0.2
269.12234	0.2
413.22205	1.6
414.19791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04997	0.5
54.57353	0.8
59.01368	2.7
64.84532	0.5
65.56747	0.5
70.14337	0.5
72.93283	0.6
75.49197	0.6
76.01733	0.5
96.58308	0.6
133.51382	0.7
223.15724	0.6
277.21677	100.0
278.22031	9.3
321.32648	0.6
353.03003	0.6
413.26932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82294	0.5
57.00993	0.5
59.01371	3.3
71.01389	0.6
71.08991	0.9
78.95900	1.3
93.57542	0.4
128.97433	0.4
137.02299	0.5
152.99562	5.7
231.21165	1.3
263.20102	12.0
264.20407	1.1
265.21710	0.9
275.20108	25.8
276.20349	3.0
277.21674	25.0
278.22070	2.3
293.21179	100.0
294.21524	9.9
413.20975	3.3
413.26675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30041	0.7
59.01356	3.4
61.98813	1.0
65.55579	0.8
65.60113	0.7
66.29394	0.7
69.95848	2.6
69.96260	1.9
75.95525	0.8
98.19799	0.9
120.66716	0.7
152.99577	3.8
153.13582	0.7
195.13889	9.2
205.12326	0.9
205.15913	1.1
223.13327	5.5
223.85672	0.8
225.14911	1.3
245.96561	0.8
249.39377	0.8
256.13000	1.3
265.21857	0.8
275.20123	8.0
277.21686	16.9
278.22009	1.9
293.21185	100.0
294.21524	9.2
350.82281	0.9
388.69800	0.8
413.21310	1.7
413.26901	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	413.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01717	1.2
65.67798	0.9
69.28491	1.1
69.73013	1.1
71.06829	2.2
90.24604	1.2
96.47630	0.9
100.66871	0.9
107.71355	1.0
111.41898	1.0
133.54276	1.0
213.15219	1.2
312.69403	1.1
339.78992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30328	0.9
51.74726	0.8
59.01374	100.0
61.98813	1.2
70.56931	3.1
77.58685	0.9
91.27361	0.9
93.08342	0.8
96.95995	1.7
131.17731	0.9
195.45319	0.9
239.62990	1.0
242.48622	0.8
277.21536	2.8
291.55087	0.9
305.86832	1.0
322.07730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01707	1.3
61.05954	0.7
61.98816	2.0
69.03436	1.1
71.01369	2.1
73.02922	1.1
75.00887	2.9
85.02931	0.8
88.04017	5.4
88.98791	1.0
93.03510	0.7
94.02982	1.3
95.05015	0.7
103.05481	1.0
105.07112	1.6
106.04230	2.3
107.01865	0.7
107.05009	2.8
109.02908	0.8
111.04481	0.7
116.05048	1.8
118.06602	0.9
119.05017	3.3
122.02450	3.1
124.04048	0.9
131.04997	1.8
132.05792	2.2
132.08176	1.1
133.06593	1.6
137.06062	54.4
138.05566	2.6
138.06456	1.5
144.04561	1.5
145.05318	2.9
146.06088	13.4
146.07191	1.1
146.09727	3.8
147.04523	1.2
147.06429	0.8
147.08159	1.9
148.04031	2.3
149.06056	9.5
152.07156	1.2
157.05339	1.3
158.06100	2.8
159.06731	0.9
163.07628	1.5
164.04741	0.7
164.07158	1.5
165.09160	0.9
171.06874	0.7
172.07648	6.2
173.04610	1.5
174.05675	0.8
174.09204	31.0
175.09573	1.8
176.07173	2.1
177.07884	1.1
179.03494	0.8
179.07066	3.1
185.04619	0.8
185.07164	6.9
188.81683	0.7
190.06354	0.8
190.08713	7.2
199.06320	1.0
200.07118	11.4
202.08699	4.1
206.11816	18.0
207.12173	1.0
217.07384	3.9
218.08159	10.9
224.12001	0.6
230.08153	1.5
232.09746	86.1
233.10133	5.0
242.09352	3.5
250.10782	32.5
251.11127	1.8
294.09763	0.8
338.13834	0.7
371.14954	3.0
414.15521	53.0
415.15744	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	415.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55901	0.4
56.73963	0.4
59.01370	14.1
60.01725	0.6
63.67231	0.4
67.01871	1.8
68.99804	6.8
69.03456	0.5
69.18658	0.4
71.01366	3.5
72.99287	0.9
73.02940	0.9
74.02441	0.6
75.00853	1.7
80.02648	0.7
82.39630	0.5
83.01383	1.1
85.02946	1.8
87.00871	1.4
89.02436	2.2
97.02927	1.9
98.19753	1.0
99.00866	17.7
99.01511	1.1
101.02446	2.7
107.05000	0.5
108.02142	1.7
111.00835	1.1
113.02427	1.9
115.00369	1.4
119.03487	0.7
119.08646	2.9
121.06552	1.6
124.01640	1.3
127.00348	12.4
127.57552	0.5
129.01929	0.6
130.08702	0.9
133.02960	1.5
135.04521	0.7
139.00331	0.6
139.03984	0.7
141.01872	0.9
147.80835	0.4
154.54330	0.5
161.02431	3.2
163.07635	9.5
164.09547	0.5
170.08673	0.7
175.02432	2.1
179.03497	0.8
181.08669	1.5
189.03914	0.6
192.52423	0.5
207.10217	3.9
225.11317	0.6
239.09222	23.1
240.09535	1.3
251.09154	0.9
267.08688	100.0
268.08960	6.7
276.58023	0.5
295.08289	0.6
345.50348	0.5
355.10352	1.7
393.11304	0.8
400.62445	1.8
415.12241	1.7
415.19693	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10916	0.3
53.64023	0.3
54.21731	0.3
55.01871	1.1
57.03436	1.1
58.00583	2.8
59.01372	75.8
60.01707	1.1
63.30920	0.3
63.55726	0.3
69.03465	0.8
69.53063	2.2
71.01373	60.4
72.01712	0.9
72.99299	3.2
73.02938	15.9
75.00852	0.3
83.01367	2.6
85.02937	9.3
87.00853	2.4
87.17720	0.3
89.02432	100.0
90.02758	1.5
93.03442	0.7
93.89542	0.3
95.00877	0.3
95.01358	1.6
97.02933	1.4
99.00866	16.9
100.01210	0.5
101.02430	34.9
102.02804	0.4
113.02438	13.7
114.61121	0.3
115.04018	0.7
117.05537	0.7
119.03487	10.7
120.03813	0.4
125.02435	3.5
131.03490	20.7
135.04515	0.6
143.03511	2.3
149.04533	55.9
150.04836	1.6
161.04564	3.1
167.36038	0.3
173.04495	1.0
179.05582	5.4
191.05579	13.1
192.05872	0.6
192.65097	0.3
197.11626	0.3
221.06589	1.6
233.06500	0.3
251.07657	2.6
283.11795	0.5
290.31351	0.3
293.08707	0.6
293.13519	0.3
297.09888	0.4
311.09573	0.6
415.16107	7.9
416.16351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.1
57.03440	1.4
58.00583	4.0
59.01374	100.0
60.01723	1.2
61.98818	6.3
69.03449	1.1
71.01376	70.5
72.01715	0.9
72.99300	6.3
73.02940	3.1
76.10677	0.6
78.25130	0.6
83.01385	2.9
85.02944	15.0
87.00865	6.5
89.02434	98.7
90.02776	1.4
93.03455	2.0
95.01373	4.2
99.00868	1.5
101.02434	41.6
102.02747	0.7
113.02441	28.2
113.03231	1.4
114.02755	0.7
115.03983	0.9
119.03490	41.2
119.73976	0.6
120.03799	0.9
121.02895	0.9
122.03737	2.3
125.02500	0.9
131.03453	5.0
133.02896	0.8
133.65491	0.7
134.03676	1.5
135.04546	1.4
143.03499	8.3
149.02487	0.8
149.04543	4.6
159.04417	0.9
160.05293	0.8
161.02405	1.5
161.04501	9.0
161.06003	2.1
164.04733	1.4
172.05295	0.8
173.04488	3.2
173.05919	1.4
178.06281	1.1
179.05603	25.6
179.07094	1.8
189.05548	6.5
190.02605	1.0
190.06317	10.2
191.05579	54.0
193.05038	1.0
202.06238	1.8
205.04922	0.7
205.08650	12.3
208.07414	3.9
217.08568	1.8
219.06628	1.3
220.07323	2.3
223.06215	1.1
223.09685	9.7
235.05995	0.9
235.09714	15.8
236.09970	1.5
253.07140	0.8
253.10667	2.3
279.26880	0.7
353.08749	7.5
415.16254	13.5
429.35519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01307	0.6
53.66596	0.8
57.03415	0.7
59.01373	24.4
61.01788	0.8
61.98805	1.1
64.96911	0.7
69.03443	1.5
70.88259	0.9
70.88588	1.7
71.01379	12.4
72.99258	1.3
73.02919	3.8
80.02667	7.2
83.01321	1.2
85.02950	4.7
89.02413	10.0
93.41293	0.7
95.04985	0.9
99.00870	0.8
99.04508	2.4
101.02428	13.9
113.02433	3.3
119.03489	2.8
121.06583	0.9
131.03436	1.1
133.02924	1.8
135.04466	3.4
149.04561	1.1
161.02435	4.2
161.04506	0.9
161.13370	0.9
161.43398	0.7
163.06088	3.1
179.03455	2.5
181.07147	41.8
182.07513	1.3
189.12820	20.7
190.13155	1.3
207.13864	9.0
208.14191	2.8
209.14467	1.5
233.11832	7.9
251.12836	100.0
252.13138	8.5
253.13567	1.5
291.08829	0.8
311.09518	1.0
415.19656	49.2
416.15598	3.9
416.20020	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63725	0.5
53.37871	0.6
54.01986	0.5
54.72773	0.5
55.65784	0.5
56.17756	0.5
59.01371	1.6
59.09834	0.6
66.34363	0.5
67.27274	0.5
70.38293	1.4
70.38614	0.7
74.99086	5.4
77.00655	71.2
78.00983	0.7
84.43222	0.5
123.99625	0.5
149.09705	1.5
151.22850	0.6
151.75818	0.6
152.52945	0.5
161.09717	0.9
163.11275	1.9
171.49452	0.6
172.68054	0.6
187.11259	3.1
192.07855	0.6
233.81795	0.6
265.12366	0.8
279.13861	1.0
280.14355	0.9
282.46848	0.6
307.17221	0.8
309.22131	2.6
322.19196	0.9
337.21680	100.0
338.21979	12.1
415.23083	17.9
416.23288	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	415.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
57.03450	0.5
58.00586	0.4
59.01372	100.0
60.01712	1.2
61.98822	1.0
66.36756	0.3
67.20393	0.3
67.41563	0.3
68.99805	0.8
69.03456	0.5
69.56667	1.4
69.57082	0.6
71.01375	7.6
72.99314	1.0
73.02940	2.1
77.75755	0.3
78.03532	0.3
83.01389	1.3
85.02951	4.1
87.00890	0.9
88.02853	0.3
89.02427	3.5
95.01374	0.5
98.19872	0.6
99.00861	1.7
99.04505	0.5
101.02428	5.8
111.00877	0.5
113.02436	3.3
119.03503	1.1
119.05054	0.7
121.87484	0.4
127.00340	0.5
131.03511	0.4
135.04535	1.0
139.00191	0.3
143.03609	0.3
159.03001	0.4
161.02438	0.8
161.04527	2.1
163.07663	0.4
165.25385	0.3
174.01743	0.6
175.02396	0.5
179.03445	1.9
179.05582	0.5
189.99126	0.3
203.84853	0.3
213.45451	0.3
225.11327	0.4
239.09334	1.1
251.12273	0.5
267.08615	5.1
267.11053	0.4
274.28799	0.3
373.22266	5.9
374.22443	0.5
415.19342	0.9
415.23978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42502	0.5
54.26805	0.5
57.03448	0.5
59.01371	100.0
60.01711	1.3
61.98840	1.0
67.90115	0.5
70.38676	0.4
70.88834	1.0
70.89188	0.7
71.01366	3.8
73.02936	1.3
76.04428	0.4
85.02953	1.5
89.02438	1.8
98.83455	0.5
99.00868	0.5
101.02430	3.1
113.02466	1.6
119.03479	0.6
125.09695	0.5
137.99866	0.5
161.04475	2.6
171.10245	0.6
173.04578	1.5
220.06288	0.5
259.09622	0.5
355.21384	1.2
409.78110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89192	0.4
59.01373	100.0
60.01703	1.1
61.98820	0.7
62.16578	0.4
62.47993	0.4
71.01376	3.1
71.08412	1.0
73.02954	0.9
85.02953	1.2
89.02446	1.7
95.01416	0.5
97.67078	0.4
101.02420	2.2
109.92014	0.4
113.02443	1.2
113.68597	0.4
119.03500	1.0
125.09751	1.1
161.04547	2.1
171.10265	1.4
179.05600	0.4
187.09789	0.7
243.12648	0.6
255.19698	0.5
355.21335	1.0
397.59024	0.5
407.91211	0.4
415.19476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
63.81936	0.6
66.79587	0.6
68.57078	0.6
69.65610	0.6
71.38242	1.6
196.18913	0.7
217.19954	0.6
227.18021	0.6
240.51457	0.7
261.63382	0.6
348.52768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81203	0.6
56.32526	0.6
58.31620	0.7
59.01372	100.0
60.01691	0.8
65.46088	0.6
71.53849	1.0
73.15777	0.8
85.69357	0.7
218.78929	0.7
235.51959	0.7
235.93404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95107	0.4
59.01366	1.9
61.98824	10.2
69.83085	2.2
69.83480	0.7
71.01373	1.1
73.02930	0.8
85.02941	5.3
87.00872	1.2
87.74407	0.4
93.03439	1.9
98.19851	0.5
109.02956	0.8
111.04558	0.4
113.02460	0.4
127.03986	1.4
135.04514	1.3
140.88611	0.4
142.37804	0.4
150.36682	0.4
161.02406	1.5
173.04494	1.3
179.03566	0.7
191.05588	100.0
192.05951	3.8
219.25847	0.5
317.93295	0.5
353.08707	11.1
354.09113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44377	2.1
59.01365	13.0
61.98827	18.4
71.01374	6.5
71.60815	3.2
72.99307	2.8
73.02951	6.1
75.00864	3.2
78.95917	2.3
85.02951	6.5
87.00864	2.3
88.07087	2.4
88.98790	2.6
89.02462	4.1
93.03448	23.9
99.00873	3.8
101.02440	3.8
111.04517	5.4
123.04465	3.2
125.68176	2.4
127.04002	2.5
133.02916	2.2
135.04503	61.8
137.02420	5.1
137.06203	2.4
155.03465	5.4
161.02426	2.9
173.04526	100.0
174.04906	3.8
179.03464	65.3
191.05573	50.8
191.18918	2.1
192.05888	2.8
276.06577	2.5
337.09183	3.6
353.08725	74.3
354.08960	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	417.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.7
60.52758	0.7
71.01370	4.8
73.02944	1.4
75.00858	0.8
85.02964	2.1
87.00867	0.8
89.02441	3.1
92.62936	0.7
93.03463	1.1
95.01391	1.4
96.96019	1.4
99.00877	0.7
101.02415	3.1
103.48769	0.8
108.02161	47.4
109.02957	20.8
109.03675	1.4
110.03262	1.0
111.60148	0.6
113.02427	1.6
116.81715	0.6
119.03490	1.5
123.00892	1.3
123.04520	0.9
135.04434	0.7
147.01225	1.2
151.03949	1.9
152.01135	100.0
153.01489	4.1
157.72194	0.7
163.03998	1.8
177.02005	0.7
179.05560	1.0
181.05000	0.7
191.05611	1.7
195.06615	1.1
201.68547	0.7
208.37447	0.6
214.57320	0.7
237.07645	1.5
241.07036	3.3
266.14624	0.7
378.94989	0.8
385.11273	0.7
417.10202	97.4
418.10562	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	417.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.6
69.64949	1.0
69.65362	2.0
71.01383	2.6
73.02951	1.5
85.02956	1.2
89.02431	1.8
95.01366	1.2
98.20608	0.7
101.02406	0.9
108.02162	49.9
109.02959	20.8
109.03539	0.4
110.03291	0.7
113.31365	0.5
123.00874	0.5
123.04520	0.7
133.02901	0.6
149.04520	1.1
151.04008	1.8
152.01132	95.7
153.01456	5.0
163.04021	2.4
172.93810	0.6
179.03554	0.6
191.05650	0.5
193.74852	0.5
207.03036	0.7
223.55470	0.5
241.07185	3.4
285.06152	0.5
340.45004	0.6
417.10309	100.0
418.10602	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	417.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14374	7.0
59.01093	6.8
59.01375	100.0
61.98825	86.5
68.40320	6.2
69.58945	30.8
71.01375	48.6
72.99295	8.3
73.02937	52.5
75.00867	63.5
83.01348	18.6
85.02924	15.6
87.00855	8.4
89.02424	24.2
93.03448	11.3
96.01458	6.3
96.95956	6.4
99.00844	10.9
101.02419	51.9
111.18672	5.9
113.02412	24.8
119.03452	8.1
123.04498	27.4
131.90959	5.4
135.04501	61.7
141.01941	9.0
151.03972	12.7
151.85344	5.7
153.05507	12.9
173.04514	11.2
191.05544	18.0
195.04984	5.7
242.83849	6.5
262.96753	7.1
277.07083	11.5
297.09592	12.2
315.10840	38.7
341.83505	6.4
354.08884	8.7
357.11893	95.1
417.13797	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	417.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85159	1.1
57.94684	1.0
58.00598	1.4
59.01373	30.7
61.98809	1.4
69.51562	2.0
69.51972	6.7
71.01373	19.8
72.99270	2.1
73.02915	5.4
85.02916	5.7
87.00843	1.8
89.01915	2.1
89.02432	36.5
99.00879	8.4
101.02420	17.1
108.02158	47.9
109.02958	20.6
113.02409	3.1
119.03458	2.6
125.02433	1.4
131.03471	4.7
143.03456	1.5
149.04530	23.3
152.01129	100.0
153.01668	4.5
163.03961	3.4
181.70520	1.1
191.05569	9.3
192.05786	2.1
195.06534	1.8
221.06567	2.9
237.07611	1.9
241.06937	1.9
251.07663	1.2
311.09879	1.8
338.04764	1.4
346.40131	1.3
417.10141	85.9
418.10324	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	417.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	70.4
61.50968	2.0
69.23956	18.4
69.24359	4.9
71.01379	42.3
73.02950	15.5
85.02950	7.0
86.83092	2.1
87.00855	3.1
89.02434	100.0
91.56436	2.0
97.02953	2.9
99.00873	30.4
101.02422	32.2
113.02429	7.4
119.03475	3.2
124.63248	2.2
131.03470	16.1
143.03535	3.2
149.04535	64.2
161.04538	5.0
167.03436	2.5
173.04463	3.2
179.03438	3.5
191.05534	17.2
194.09555	3.0
209.08250	5.0
221.06711	3.8
251.07596	6.6
293.08899	3.2
311.09741	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	417.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.8
61.98827	10.4
71.01378	8.7
71.61948	1.6
72.97510	2.0
73.02938	2.8
75.00857	7.2
85.02957	3.7
87.00842	1.7
89.02441	8.3
93.03465	2.5
95.01325	1.5
101.02458	7.1
108.02156	2.1
113.02437	3.2
122.03757	2.3
123.04513	100.0
124.04797	2.8
125.02417	3.2
131.03459	1.5
135.04517	2.6
149.04541	2.3
161.02412	2.0
161.04593	1.8
173.04515	4.2
179.03465	3.0
191.05563	3.6
195.06543	1.9
237.06140	4.5
243.12285	2.1
249.13428	3.3
254.62958	1.5
268.09537	1.5
293.08774	3.4
295.93463	1.6
381.17651	16.5
410.68719	1.7
417.14948	14.5
417.21060	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	417.1541
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
52.11092	0.1
53.86860	0.1
56.09779	0.1
59.01369	0.5
67.01888	0.3
68.99797	0.2
69.03452	0.2
71.01376	0.5
73.02934	0.1
81.03445	0.5
83.01362	0.2
84.02157	0.3
85.02948	0.6
87.04518	0.2
89.02467	0.2
93.03443	0.5
95.01381	0.9
95.05023	0.3
97.02956	0.3
98.20618	0.3
107.01385	0.1
107.05026	0.3
108.02163	0.4
109.02947	4.3
111.00881	0.6
117.03471	0.3
119.04999	0.2
121.02947	1.0
121.06571	0.5
122.03769	0.2
123.00864	4.5
123.04534	0.8
124.01627	0.6
125.02431	1.3
131.04997	0.1
133.02946	0.5
135.04489	0.3
136.01686	0.3
137.02431	17.4
138.02856	0.4
139.00354	0.8
139.03989	0.8
145.02933	1.0
147.04503	0.4
149.02451	1.7
149.06070	0.4
150.03172	0.8
151.00348	28.6
151.03958	2.1
152.01141	3.0
152.04778	3.3
153.01843	0.5
153.05504	0.5
154.02654	0.2
159.04506	0.7
161.02362	0.3
162.03259	0.3
163.03999	0.7
164.04745	0.7
165.01900	1.4
166.02690	69.9
167.03394	4.7
168.04070	0.2
173.02443	0.4
173.04488	0.3
174.03238	0.2
175.03969	1.7
175.07576	0.3
176.01114	0.3
176.04718	0.2
177.00447	0.3
177.01912	4.1
177.05583	0.4
178.02701	0.7
179.03459	0.8
179.07021	0.3
181.05040	100.0
182.05360	3.7
184.03725	1.2
184.26779	0.1
187.03969	0.2
188.04771	0.3
189.05537	0.4
190.02693	0.6
190.06375	1.2
191.03484	1.3
191.07048	0.2
192.04308	1.3
193.05049	1.3
195.02939	0.8
202.02655	0.2
203.03435	0.7
204.04245	0.3
205.04999	1.4
205.08681	2.0
206.05695	0.3
207.06569	1.4
209.04544	0.5
214.25188	0.1
217.04996	0.4
218.05919	0.3
219.06487	0.8
220.07230	0.2
221.04541	0.3
224.03268	0.3
229.10802	0.2
235.06032	0.2
243.06483	0.2
243.15843	0.3
251.12715	0.2
259.09787	0.2
283.06323	0.2
286.04556	0.2
299.05722	0.3
301.07111	0.8
314.07904	0.5
316.09521	0.2
329.06754	0.2
329.10196	0.7
341.10226	0.4
356.12704	0.2
357.09744	0.6
359.11270	2.4
360.11948	0.2
369.09680	0.2
371.14856	0.9
372.08282	0.3
387.10779	17.6
388.11118	1.6
402.13116	12.0
403.13431	1.2
416.24503	0.2
417.15500	35.9
418.15814	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	417.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.9
59.01372	7.7
67.01874	3.8
69.03436	1.9
71.01369	3.8
71.61553	0.9
72.99286	0.8
81.03441	1.2
81.72434	0.9
83.05019	1.1
85.02940	10.0
87.00839	2.4
89.98570	0.8
93.03448	28.4
97.23177	0.9
99.00850	2.4
101.02456	1.1
109.02998	0.9
111.00850	1.8
111.04541	5.9
113.02436	0.9
117.77345	0.8
127.03940	1.3
129.01900	1.3
129.12727	0.7
137.02415	5.5
137.93739	0.8
139.11247	1.1
147.03038	1.2
150.03230	1.5
155.03481	4.0
163.11295	1.3
165.05606	2.0
173.04524	100.0
174.04868	3.2
175.02467	1.1
181.12378	4.7
183.10243	1.2
189.05876	1.3
191.01938	3.3
199.13322	2.9
207.10219	4.8
209.09921	1.2
223.98438	0.9
225.11281	10.7
227.06694	2.8
243.12344	34.4
244.12741	2.0
417.17639	26.4
418.17816	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	417.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.9
59.01372	7.7
67.01874	3.8
69.03436	1.9
71.01369	3.8
71.61553	0.9
72.99286	0.8
81.03441	1.2
81.72434	0.9
83.05019	1.1
85.02940	10.0
87.00839	2.4
89.98570	0.8
93.03448	28.4
97.23177	0.9
99.00850	2.4
101.02456	1.1
109.02998	0.9
111.00850	1.8
111.04541	5.9
113.02436	0.9
117.77345	0.8
127.03940	1.3
129.01900	1.3
129.12727	0.7
137.02415	5.5
137.93739	0.8
139.11247	1.1
147.03038	1.2
150.03230	1.5
155.03481	4.0
163.11295	1.3
165.05606	2.0
173.04524	100.0
174.04868	3.2
175.02467	1.1
181.12378	4.7
183.10243	1.2
189.05876	1.3
191.01938	3.3
199.13322	2.9
207.10219	4.8
209.09921	1.2
223.98438	0.9
225.11281	10.7
227.06694	2.8
243.12344	34.4
244.12741	2.0
417.17639	26.4
418.17816	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	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97498	0.7
55.01870	0.6
57.03452	1.0
59.01373	100.0
60.01698	1.4
61.09377	0.6
61.98811	1.9
63.09200	0.7
67.94724	0.6
69.03468	0.9
70.05405	2.9
71.01376	21.7
72.38969	0.5
72.99289	1.1
73.02948	3.6
75.00864	0.9
77.40578	0.6
83.01386	1.8
84.19518	0.6
85.02950	6.0
87.00887	2.3
89.02436	17.2
93.03469	0.9
95.01394	1.8
96.95979	0.7
97.02932	0.7
99.00878	1.5
101.02435	16.7
113.02435	11.1
119.03478	9.0
119.04172	0.8
123.04502	1.1
125.02458	0.8
127.00386	1.0
127.16956	0.6
129.01949	0.8
131.03563	1.3
131.18571	0.6
135.04482	1.6
143.03482	3.0
149.04567	1.1
159.03011	1.2
161.02493	1.1
161.04546	18.4
162.04930	0.6
173.04532	3.5
173.54567	0.7
175.02499	1.9
177.09206	5.6
179.03493	1.4
179.05591	5.4
179.72426	0.6
187.73686	0.6
195.10310	0.8
281.63953	0.7
343.13962	0.9
357.15485	31.6
358.15903	2.5
417.17584	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33678	0.1
57.03434	1.1
59.01369	7.2
60.99297	0.6
63.00879	0.1
65.03959	0.3
66.25034	0.1
67.01881	4.9
69.03451	1.0
71.01373	3.2
71.05002	0.2
73.02917	0.7
81.03442	0.9
83.05012	1.2
83.33176	0.1
85.02947	0.6
87.00867	0.5
93.03445	28.0
94.03770	0.9
94.70313	0.2
95.05051	0.3
99.00838	0.2
99.04509	0.2
109.02939	0.9
111.00878	0.9
111.04510	4.9
112.04868	0.2
113.02404	0.3
115.03985	0.3
127.03989	0.5
129.05594	0.2
137.01421	0.3
137.02431	5.5
137.03481	0.3
137.09808	0.2
138.02779	0.2
139.11278	5.9
140.11604	0.3
155.03482	5.4
156.03831	0.3
156.05937	0.2
163.11230	0.3
165.09126	0.3
173.04520	100.0
174.04857	4.1
177.49879	0.2
181.12309	3.4
182.12642	0.4
183.10233	7.4
184.10567	0.4
199.13359	2.4
225.11307	2.1
226.50673	0.2
229.16133	0.2
243.12325	28.9
244.12682	1.9
247.75488	0.2
410.23318	0.2
417.17584	28.5
418.17957	3.6
431.91620	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	417.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03428	1.7
59.01093	2.0
59.01374	31.2
61.23292	1.3
61.98812	1.5
69.23683	6.3
69.24107	4.8
71.01372	14.3
72.99273	1.5
73.02935	11.7
73.29050	1.0
74.02465	3.5
75.00852	1.5
75.28125	0.9
83.01359	1.9
83.04948	1.0
85.02943	7.3
87.00851	1.7
88.39716	1.0
89.02435	6.6
95.05009	3.9
97.02931	3.2
99.00857	2.0
101.02431	39.3
111.04502	1.2
113.02428	8.6
119.03509	5.7
123.04510	1.6
124.04015	19.2
125.02325	1.3
130.08710	2.3
131.03468	4.8
137.06059	3.0
143.03473	6.1
150.05542	4.9
161.04558	2.9
161.09642	1.4
163.11314	7.8
173.04523	2.7
179.07086	7.6
181.12297	13.0
189.30032	1.1
191.05615	2.6
194.04539	10.7
205.12288	3.1
207.10327	1.6
225.11292	100.0
226.11615	6.0
236.09189	2.2
237.38274	1.0
241.09647	1.6
249.11311	10.4
254.10425	1.5
261.11169	1.2
267.08731	2.9
267.12244	3.3
268.09122	2.7
269.09174	6.0
297.13400	4.6
322.47150	1.1
327.14514	8.6
354.19110	1.9
417.25192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08175	0.9
59.01371	18.2
59.56057	0.9
61.34363	0.9
69.03429	0.9
69.70779	3.2
69.71189	2.5
71.01373	14.2
73.02945	14.6
75.00857	1.6
81.03449	1.6
83.01379	3.7
85.02958	5.8
87.00822	1.7
89.02444	7.3
95.01388	3.0
95.05018	3.1
97.02953	11.7
101.02434	48.2
113.02425	9.4
115.04015	3.5
119.03477	13.3
123.08185	1.2
125.02410	1.3
131.03452	2.7
143.03474	17.7
154.65421	1.1
161.04503	1.1
163.11269	5.7
173.04495	2.0
181.12326	15.7
182.12694	1.3
191.05605	7.4
225.11288	100.0
226.11691	5.5
249.11253	2.0
279.12302	1.5
297.13303	3.0
314.50201	1.0
327.14505	2.3
373.82809	1.1
417.16925	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16920	0.6
50.64605	0.6
54.80841	0.6
55.01877	0.6
58.44350	0.6
59.01373	100.0
60.01721	0.9
61.98827	1.7
66.60272	0.6
67.01893	0.8
71.01375	21.6
71.52158	0.7
72.59566	0.6
72.99301	1.6
73.02946	3.1
75.00848	1.1
78.95912	0.9
83.01401	2.7
85.02943	8.0
87.00864	1.1
89.02435	19.4
93.03440	0.6
95.01386	1.2
96.95985	0.9
99.00892	1.6
101.02428	14.5
111.04511	0.9
113.02431	10.9
115.00340	1.1
119.03478	7.5
123.04511	2.2
127.00357	1.1
131.03468	1.0
133.02979	0.9
135.04565	1.1
143.03505	2.3
149.04543	0.8
159.03049	1.3
161.02455	1.4
161.04523	18.6
173.04532	3.8
175.02505	1.4
177.09178	5.0
179.03508	1.8
179.05576	5.0
191.02324	0.7
192.09955	0.6
195.10301	0.7
243.12349	0.7
343.13959	1.0
357.15488	25.3
358.16019	2.5
379.11279	0.6
417.17902	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	417.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.9
58.00583	1.1
59.01371	48.5
61.98816	1.4
69.26321	9.9
71.01376	5.1
73.02940	5.7
78.34588	1.2
78.95914	1.2
81.03419	1.8
83.05037	2.3
85.02921	2.4
87.00845	2.1
89.00634	1.1
89.02425	3.1
93.03438	9.1
95.05035	2.1
96.95996	3.8
96.96928	1.5
101.02424	2.6
102.05578	1.7
111.04515	7.5
113.02402	1.5
128.03540	5.7
129.01912	1.3
130.08727	1.2
137.02409	2.2
137.05994	1.2
139.11272	34.9
140.11627	1.4
146.04529	1.3
155.03491	8.7
161.04535	3.3
163.11208	1.2
165.09196	1.9
166.68579	1.2
173.04512	29.5
174.04874	1.4
181.12325	18.5
182.12617	1.9
183.10233	36.3
184.10590	1.8
199.13371	11.2
225.11282	8.5
243.12334	100.0
244.12613	7.3
289.12119	2.8
357.15601	2.1
417.17587	80.8
418.17612	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	417.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
59.01374	14.2
61.98820	1.6
67.01889	5.3
69.03452	1.8
69.30968	6.9
71.01369	5.1
74.02456	0.8
75.00886	1.1
78.95859	0.8
81.03429	1.4
83.01386	1.2
83.05016	1.9
84.95119	1.1
85.02944	1.5
87.00867	3.7
89.02422	1.7
93.03443	35.2
99.60207	0.8
101.02425	1.7
109.02911	1.2
111.00815	0.8
111.04489	5.4
111.92745	0.8
114.66241	0.7
116.27245	0.8
135.04604	0.9
137.02426	4.2
139.11243	6.7
155.03473	5.2
173.04524	100.0
174.04871	3.9
175.02689	0.9
176.03140	0.9
177.07364	0.9
179.03433	1.0
181.12347	4.0
183.10249	7.3
189.05959	1.2
191.05597	1.4
199.13374	1.4
220.06207	1.7
221.06421	1.8
225.11287	2.7
227.06664	1.4
234.07616	1.0
235.08090	1.4
243.12328	30.6
244.12598	2.0
307.16891	0.8
319.49573	0.8
399.36560	0.9
417.17569	41.4
418.17853	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	417.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
58.00586	0.6
59.01371	20.5
59.54086	0.6
70.37512	0.6
71.01369	13.6
71.61752	1.0
73.02940	11.9
75.00845	1.2
79.62635	0.7
81.03446	1.5
83.01366	2.4
85.02934	4.9
87.00871	1.9
87.04544	0.6
89.02428	4.8
93.03433	1.1
93.94767	0.7
95.01372	1.4
95.04994	2.9
97.02930	7.3
101.02428	32.6
102.02757	0.8
109.02927	2.0
109.06561	0.9
113.02427	8.9
115.03988	2.3
119.03487	9.1
123.04521	0.8
123.08171	0.8
125.02454	0.9
126.41250	0.6
131.03481	2.9
137.06050	0.8
143.03468	12.1
149.06093	0.7
151.07578	1.5
153.48299	0.6
159.04475	1.7
161.04507	1.1
163.11285	5.0
171.43591	0.6
173.04474	3.0
181.12306	15.7
182.12584	1.4
191.05557	5.8
205.12323	1.0
207.10132	1.1
217.12344	0.7
223.13416	0.7
225.11282	100.0
226.11571	8.1
243.12331	0.9
249.11343	3.3
267.12457	1.4
279.12387	1.6
297.13379	2.3
317.14624	0.6
317.73297	0.7
327.14291	2.9
357.14804	0.6
363.14490	0.9
417.16855	1.0
417.21664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43716	0.9
59.01376	10.0
61.98814	2.1
63.69281	1.0
69.64662	3.4
69.65067	2.1
71.01369	1.0
78.95892	9.2
87.40911	0.9
93.33710	0.9
98.19725	0.9
110.98513	4.8
115.85687	0.9
118.75340	0.9
121.02915	1.3
131.17177	0.9
135.08066	1.0
152.99536	7.8
167.01128	2.1
168.06551	1.0
185.02159	5.9
249.18558	100.0
250.18976	8.5
268.05472	1.0
277.21585	1.3
328.26593	0.9
417.20532	10.8
417.30276	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	417.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18588	5.0
59.01089	7.5
59.01370	100.0
61.98809	18.7
71.01380	12.8
71.30293	4.4
71.61228	6.9
78.95905	5.6
84.30956	5.3
89.02422	7.0
93.03424	7.9
95.59539	4.9
101.02425	12.4
108.61897	5.2
136.83130	5.1
161.02423	5.4
161.04474	5.8
173.04532	26.6
190.83081	5.2
200.29588	5.0
246.53918	5.1
298.12872	20.6
337.03864	5.0
409.26089	5.3
417.24829	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	417.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98826	17.6
71.01377	19.5
71.16051	7.5
73.02928	8.9
78.95880	9.0
85.02952	8.0
88.98801	6.7
89.02469	15.7
96.95999	7.2
101.02442	13.1
106.74051	4.6
115.63805	5.6
119.05022	5.4
140.80989	4.8
161.02405	7.0
161.04572	6.9
173.04520	36.1
203.10597	5.0
298.12955	23.3
417.24878	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	417.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98817	25.1
69.65253	24.3
69.65651	51.3
71.01353	12.2
72.99294	24.6
89.02407	14.4
117.01933	21.5
192.85434	10.1
216.70782	9.6
291.83493	11.7
302.51282	12.0
303.16037	51.8
381.19037	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	417.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01133	9.2
59.01372	100.0
59.66674	12.0
61.54660	10.7
61.98811	32.7
69.17362	8.0
69.29736	73.7
69.30150	14.6
93.45765	9.2
94.52896	10.2
96.96043	18.6
254.26430	9.6
271.53763	10.2
343.38657	12.0
396.74985	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	417.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82543	0.7
58.76059	0.7
59.01374	100.0
70.46115	1.6
70.46475	2.0
79.09235	0.7
135.04482	1.6
161.02426	1.3
179.03476	1.4
231.85588	0.9
284.96603	0.9
311.59613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01927	0.3
57.20224	0.4
59.01371	100.0
60.01706	1.4
61.98816	1.5
69.68608	1.6
71.01382	2.3
72.91357	0.3
73.02939	1.1
85.02957	1.4
89.02428	0.4
92.06948	0.4
99.00900	0.4
101.02413	2.2
103.73151	0.3
111.20342	0.3
113.02444	1.4
159.02994	0.4
161.04501	1.8
223.13486	1.1
259.99591	0.3
357.22751	6.0
357.26816	0.4
358.23325	0.5
385.37082	0.3
391.74805	0.3
417.25278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
57.03444	5.3
58.00596	2.0
58.11837	0.5
59.01373	66.0
60.01713	0.7
68.99797	1.0
69.03452	0.9
71.01376	100.0
71.62534	0.9
72.01711	1.4
72.99300	3.5
73.02937	24.2
75.00871	1.9
81.03455	0.9
83.01379	10.9
85.02943	37.2
86.03299	0.9
87.00878	3.9
87.04508	3.5
89.02435	38.7
90.02773	0.9
95.01369	7.0
97.02951	1.9
98.19438	0.7
99.00869	9.3
101.02431	64.9
102.02777	1.6
113.02438	39.7
114.02796	1.1
119.03494	14.9
125.02437	2.4
129.01933	1.6
131.03519	1.9
143.03499	5.4
149.04588	1.1
159.02974	8.5
161.04539	47.8
162.04915	1.7
179.05579	5.7
179.14288	0.7
205.03506	1.6
249.25879	0.8
249.33797	0.7
255.19498	2.9
269.17569	1.5
285.03900	0.6
318.61179	0.7
417.25018	59.7
418.25275	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	417.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01697	1.2
69.67078	3.4
86.34800	0.4
99.98163	0.5
114.08750	0.5
225.09634	0.5
248.24965	0.6
277.67429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47223	0.6
59.01374	1.9
59.97876	0.6
61.98825	100.0
69.54774	0.6
71.01370	0.6
71.61325	0.6
71.61722	0.8
80.95550	0.6
84.79202	0.6
89.02439	0.7
93.08629	0.6
103.81572	0.6
127.33533	0.6
232.64412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43974	0.4
59.01378	1.0
59.38755	0.4
61.98823	100.0
71.01382	0.5
89.02471	0.6
98.20711	0.8
105.42455	0.4
137.21805	0.4
140.18619	0.5
173.04538	0.6
175.03996	0.7
206.27811	0.5
266.88809	0.5
298.17487	0.5
442.63364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.7
66.03486	4.3
66.67173	0.6
66.74062	0.6
67.01889	2.4
67.79456	0.6
68.99812	4.2
71.61999	0.7
81.03432	0.8
85.02942	2.6
88.04017	0.8
91.47942	0.6
92.05032	1.3
93.03468	1.7
95.88776	0.6
101.02432	7.5
106.06613	15.9
107.04996	0.7
109.02911	0.7
111.00854	4.6
111.04488	0.9
118.06610	11.2
119.04216	1.3
119.05010	14.4
120.04534	2.7
120.08174	1.5
121.06569	2.9
122.06046	0.8
123.04515	1.1
124.04028	3.3
125.02457	1.3
127.04000	6.4
130.35344	0.6
131.11002	0.7
132.04553	3.6
132.08173	1.7
134.06082	2.4
135.04518	1.3
136.07655	8.9
137.02454	0.6
137.06050	0.8
139.00356	2.9
144.04489	1.4
146.06096	18.6
147.06424	0.8
148.04027	1.0
148.07674	16.9
149.04868	0.8
149.06079	2.0
149.08041	0.9
150.05557	3.0
151.07605	2.0
153.01907	1.3
153.05580	1.9
154.64529	0.6
158.06068	1.9
160.07738	0.8
161.02432	1.3
161.04744	1.6
162.05600	1.1
164.07140	100.0
165.07512	4.2
171.03011	1.6
176.07146	25.2
177.07439	1.8
178.05144	0.9
178.08704	32.2
179.03543	2.0
179.07108	12.4
179.08821	1.2
181.25816	0.6
188.07129	11.9
190.05110	0.8
190.08734	1.6
194.08186	14.6
197.04466	0.8
206.08212	9.8
207.08330	1.0
208.06198	2.6
208.09749	36.5
209.10043	1.7
220.06241	1.1
220.09737	18.6
221.10088	1.5
232.06256	1.1
234.12938	0.7
238.10809	36.7
239.11134	2.6
250.07155	0.7
252.08777	2.5
262.79587	0.7
275.09152	0.8
282.09818	8.7
283.10239	1.0
291.08682	13.2
317.10269	2.4
317.54880	0.7
345.92273	0.7
358.12491	1.4
382.85083	0.6
388.13971	2.3
418.15063	9.2
419.15558	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	418.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38425	0.7
59.01369	6.0
60.42956	0.7
66.03465	4.0
67.01868	0.9
68.99799	2.3
69.69048	1.5
69.69447	3.9
71.01367	1.7
73.02949	1.2
85.02935	2.1
86.96252	0.7
92.05045	1.2
93.03448	0.9
101.02434	5.4
106.06618	16.1
107.05013	1.5
111.00868	2.0
111.04521	0.7
115.88150	0.7
116.05087	0.8
118.02888	0.9
118.06620	11.0
119.05006	15.6
120.04559	2.7
120.08115	1.6
121.02951	1.1
121.06578	3.7
122.06041	1.7
123.04501	1.0
124.04011	3.9
127.04013	3.1
131.03748	0.9
132.04529	3.1
132.08224	1.0
133.06572	1.5
134.06100	1.8
135.04541	1.3
136.07669	10.1
137.07898	0.9
138.05565	0.9
139.00325	1.3
145.05228	0.9
146.06102	19.9
147.06421	0.9
148.04005	1.3
148.07671	19.0
149.04797	0.8
149.06064	2.3
149.07951	0.9
150.05574	2.4
151.07664	1.6
153.05566	3.2
158.06104	1.7
160.07666	0.8
161.04831	1.7
162.05563	1.2
164.07149	100.0
165.07538	4.5
170.06099	0.9
171.02991	1.0
173.04553	0.8
176.07158	24.9
176.08714	1.3
177.07510	1.7
178.05202	1.0
178.08720	33.6
179.03516	1.7
179.07143	13.6
179.08968	2.1
188.07130	11.6
189.07503	1.0
190.04993	1.4
190.08707	1.2
194.08182	16.4
195.08510	1.2
197.04546	2.5
203.03403	0.8
206.08194	10.8
207.08563	1.2
208.06166	3.9
208.09756	41.0
209.10066	1.9
210.25243	0.7
220.06369	0.8
220.09756	18.1
221.10106	1.4
222.07721	1.4
232.06168	0.9
238.10822	39.2
239.11163	1.8
250.07306	1.5
252.08826	3.7
255.11382	1.2
282.09769	10.9
291.08682	7.2
317.10208	1.1
358.12857	1.2
382.59476	0.8
388.14014	2.9
418.14993	12.4
419.15094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1092
Annotation	Eiseniaiodide B
Peak:m/z	Relative Intensity
50.28279	0.8
53.16127	0.9
59.01371	4.8
61.98823	2.1
65.33319	0.9
68.73537	0.8
71.01367	1.6
71.62148	1.8
72.99307	1.2
73.02938	1.1
76.28695	0.9
85.02950	1.1
89.02436	1.2
92.05043	2.0
93.03462	1.4
93.35590	0.9
99.00891	1.3
101.02438	1.5
105.01916	2.7
120.04524	3.5
122.06124	2.8
132.04529	1.8
133.01601	1.2
135.04527	2.6
147.03258	9.0
148.03998	7.3
150.05559	1.9
161.01212	1.0
161.02448	1.9
164.03528	1.3
172.11404	1.2
173.04565	3.8
174.01817	1.2
175.02719	3.3
176.03493	8.5
177.04071	1.1
179.03455	1.1
179.05786	1.8
184.06303	2.3
195.06667	1.6
198.05617	1.7
199.08725	3.3
206.04460	2.3
207.05383	1.2
210.18214	1.0
212.10809	1.9
215.11835	9.1
222.04382	1.1
225.06581	2.2
225.10287	2.5
226.07346	1.5
227.04442	2.4
227.08260	3.0
227.11835	1.2
228.05443	1.7
228.10175	1.2
229.05891	1.1
237.10326	1.9
238.07416	3.2
239.05693	1.4
239.08214	2.4
240.08957	4.1
241.09727	5.8
243.07683	5.8
243.11432	2.5
251.04390	1.4
253.09775	4.6
255.07526	1.6
255.09097	1.0
255.11324	5.7
256.09750	3.0
261.27985	1.0
265.06091	2.5
266.06863	10.9
267.07455	1.6
269.05658	3.3
271.07147	1.1
271.10895	3.7
281.06177	2.1
281.09265	32.2
282.09561	3.2
283.07321	1.1
284.07928	3.7
299.10339	13.3
313.11725	1.7
315.09863	1.3
325.08340	1.4
331.12939	2.2
343.09363	4.7
357.10892	2.1
369.07376	1.1
375.11792	5.4
387.08145	5.9
388.61362	1.6
389.16086	1.7
401.09882	1.5
419.10889	100.0
420.11224	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	419.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05725	1.8
58.00574	3.9
59.01374	100.0
60.51859	1.4
68.99802	10.8
69.85693	8.1
71.00988	2.9
71.01375	58.5
72.99298	4.0
81.03425	1.6
81.57600	1.5
83.01358	2.7
85.02943	11.6
87.00866	2.2
89.02437	78.1
93.03440	9.7
95.01380	5.5
98.19879	2.8
101.02438	54.9
109.02978	2.3
113.02441	22.3
119.03484	30.0
127.03945	2.6
131.03429	3.2
135.10085	1.6
137.02449	19.8
137.06081	2.8
140.55162	1.7
143.03477	4.3
149.04523	2.4
149.85712	1.5
161.04506	4.4
163.04015	1.6
179.05634	10.4
181.05002	2.6
213.07661	7.7
239.05544	6.7
375.12881	3.3
419.11633	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	419.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60188	0.7
57.03439	3.8
57.10658	0.7
59.01374	52.6
60.01695	1.0
61.98820	0.7
63.89682	0.7
65.00311	1.8
65.03948	1.7
67.01552	1.0
67.01886	17.9
68.99810	45.7
69.03424	0.9
70.00100	0.8
71.01363	0.8
71.04977	0.7
81.03452	4.7
81.56689	0.6
82.84848	0.7
83.01386	3.3
83.04998	1.6
84.02139	1.7
85.02941	28.5
91.05520	0.9
92.99820	0.9
93.03447	11.3
95.01366	4.2
97.02926	1.1
99.04500	6.2
101.02434	77.5
102.02730	1.6
107.05024	4.9
109.02931	1.7
109.06590	0.9
111.00870	40.8
111.04514	6.8
112.01163	1.6
119.05014	3.0
121.02930	1.9
123.00801	0.9
123.08158	1.5
125.02428	9.6
125.06037	0.9
127.04002	50.7
128.04315	1.5
133.02910	1.9
135.04500	7.2
137.02432	4.5
137.06067	6.7
139.00354	23.1
140.00668	0.7
141.12860	1.4
143.03484	5.2
145.02905	1.1
151.03992	2.4
151.07764	1.0
153.01929	10.0
153.05519	2.6
153.09204	1.1
155.03490	0.7
161.02425	6.0
163.03958	3.6
167.07184	0.9
171.02977	12.4
171.13882	1.6
173.04445	1.2
177.05559	0.7
179.02046	1.2
179.03485	19.0
180.03778	0.9
189.01883	2.1
195.06609	3.2
197.04388	0.6
199.13245	1.0
201.14935	1.1
203.03458	0.7
207.03038	1.3
221.04547	1.0
229.14397	0.9
239.05556	1.5
257.08224	5.6
275.09274	4.5
276.09695	0.8
291.08710	100.0
292.09094	6.5
315.25467	1.0
317.10269	15.5
318.10425	1.6
359.11340	2.2
373.29916	0.8
401.29013	3.0
419.30106	39.7
420.30466	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	419.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28310	1.4
56.71169	1.3
57.03448	2.3
59.01373	55.3
67.01881	13.7
68.99812	44.9
69.56648	1.3
70.56217	4.1
81.03461	3.7
83.01381	2.5
85.02941	23.3
90.04443	1.4
91.85243	1.2
93.03468	8.2
95.01384	3.7
98.19946	2.1
99.04502	7.8
101.02428	73.8
102.02803	1.3
107.05025	3.8
111.00869	38.0
111.04480	5.3
119.05027	2.3
121.02968	1.5
125.02414	7.5
127.03989	49.2
128.04350	1.3
128.42047	1.3
133.02852	1.3
135.04514	6.9
137.02393	3.9
137.06059	6.0
139.00349	18.1
143.03461	3.9
144.05685	1.3
151.04010	1.6
153.01924	9.7
153.05557	3.0
161.02431	1.9
163.03954	2.4
171.02983	14.3
179.03490	20.3
180.03845	1.7
189.01889	1.9
195.06613	2.5
221.04449	1.5
257.08121	5.5
259.06082	1.7
275.09271	4.8
291.08691	100.0
292.09061	8.3
317.10281	13.2
359.11560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1342
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
57.03423	2.1
59.01374	57.0
65.03976	2.3
67.01889	11.6
68.99809	45.7
69.26815	1.4
69.27096	4.2
69.27503	7.9
81.03448	5.2
83.01386	2.4
84.02150	2.1
85.02949	25.1
85.95216	1.1
93.03457	10.1
95.01378	2.9
99.04499	5.9
101.02434	88.2
107.05004	4.3
109.02943	3.2
111.00871	43.0
111.04523	6.6
119.05002	2.6
125.02459	8.8
127.04002	57.8
128.04335	2.6
131.56587	1.3
135.04504	6.6
137.02420	4.3
137.06070	7.4
139.00359	23.5
143.03520	8.5
153.01920	10.8
153.05516	2.2
161.02426	1.6
163.03966	3.9
163.37865	1.2
171.02992	16.7
179.03493	23.3
189.01849	2.4
195.06607	2.5
257.08133	5.7
275.09192	5.3
291.08710	100.0
292.09073	11.6
317.10284	16.3
407.18539	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1343
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
57.03432	3.7
59.01374	71.2
61.98811	2.6
67.01884	15.0
67.24387	1.6
68.31099	1.3
68.99460	3.0
68.99811	49.2
69.47165	10.2
69.47576	3.5
71.01361	7.2
71.40563	1.5
75.00874	3.9
81.03430	4.6
83.01366	2.9
84.02144	2.7
85.02945	27.8
89.02424	5.0
93.03430	9.0
95.01366	3.7
98.19896	3.8
99.00882	1.9
99.04499	6.7
101.02435	78.6
107.05022	4.3
109.02924	1.9
111.00130	2.8
111.00868	40.7
111.04497	5.8
113.02431	2.6
119.03445	1.9
119.04985	2.2
119.44753	1.6
125.02433	10.6
127.04004	49.8
128.04311	1.5
133.02881	2.4
135.04526	11.2
137.02406	6.2
137.06079	9.1
139.00369	24.4
143.03445	4.7
151.03983	2.9
153.01949	8.6
153.05531	2.5
161.02422	10.3
163.03979	4.7
171.02968	11.2
179.03468	17.6
195.06606	4.4
203.03305	1.8
224.46446	1.5
235.61496	2.0
239.05646	2.1
257.08185	6.2
257.10898	3.8
275.09189	4.7
278.11578	1.9
291.08704	100.0
292.09113	6.5
317.10211	14.4
331.10510	1.6
419.22629	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	419.1342
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
57.03434	2.9
59.01371	51.4
61.90258	1.1
63.71788	1.4
65.00338	1.4
67.01883	14.9
68.99807	45.0
69.65746	2.7
69.66161	3.7
80.39111	1.0
81.03447	3.9
83.01392	2.6
83.05021	1.2
84.02168	1.2
85.02937	25.2
92.99795	1.5
93.03458	8.6
95.01376	4.9
99.04501	6.7
101.02427	73.0
102.02804	1.4
107.04979	2.5
109.02965	1.8
111.00868	36.9
111.04498	5.8
113.02422	1.2
117.03468	1.1
119.05061	1.0
125.02447	7.4
127.03996	50.4
133.02917	1.8
135.04504	10.3
137.02432	3.0
137.06081	7.1
139.00343	18.4
143.03477	4.0
153.01895	8.8
153.05574	1.9
161.02423	3.1
161.89137	1.1
163.03992	3.0
167.07083	1.2
171.02974	10.9
177.05499	1.2
179.03461	20.0
189.37515	1.1
195.06581	4.1
218.23172	1.4
239.05562	1.5
257.08246	6.0
259.06168	1.3
275.09314	5.8
291.08701	100.0
292.08990	7.6
311.09482	2.6
311.59738	1.2
317.10291	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	419.1342
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
55.01871	0.9
57.03442	2.9
59.01373	68.4
60.01688	0.7
61.98821	0.6
63.32958	0.4
65.00322	1.2
65.03954	1.6
67.01881	15.5
68.99810	50.7
69.03455	0.9
70.00146	0.8
71.01379	1.5
71.05030	0.8
73.02947	0.8
77.28313	0.4
81.03451	4.2
83.01376	3.2
83.05019	1.4
84.02159	1.6
85.02943	27.4
87.00867	0.8
89.02436	1.0
91.05526	1.1
92.99798	1.0
93.03447	9.9
95.01376	4.8
97.02930	1.2
98.20649	1.0
99.00876	0.9
99.04511	7.0
101.02432	80.4
102.02782	1.1
107.05019	4.6
108.02226	0.7
109.02948	1.7
111.00867	39.0
111.04501	5.8
112.01150	0.6
113.02440	0.9
117.03423	0.9
119.04980	2.3
120.02113	0.4
121.02956	1.4
123.00901	0.9
125.02428	8.2
125.06062	1.1
127.03998	49.8
128.04352	1.2
133.02950	1.3
135.04504	7.0
136.01672	0.6
137.02417	4.2
137.06070	7.8
139.00363	18.2
143.03485	4.4
149.06107	0.6
151.03978	2.0
151.07599	0.5
153.01924	9.2
153.05536	3.2
155.03482	0.7
161.02438	3.2
163.03995	4.1
167.07124	1.0
171.02971	12.6
177.05542	1.9
179.03479	18.9
179.07097	1.0
180.03896	1.1
189.01852	2.1
193.05002	0.8
195.06575	4.1
196.06970	0.7
207.02859	1.2
211.06110	0.5
216.77776	0.4
221.04515	1.2
231.06720	0.7
235.11513	0.5
239.05614	2.0
247.09950	0.4
248.10457	0.5
251.08830	0.5
257.08142	5.6
257.10974	1.5
257.61255	0.8
258.08438	0.6
259.06183	0.9
266.07953	0.4
275.09189	6.8
276.09665	0.4
289.10596	0.5
291.08701	100.0
292.09073	7.7
317.07428	0.5
317.10263	13.7
318.10556	0.9
327.08630	1.0
359.11353	1.5
419.22684	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	419.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01718	1.2
63.03760	0.6
69.74678	3.6
71.01377	6.0
85.02966	0.9
85.42314	0.6
87.00898	0.6
89.02431	5.8
95.46288	0.6
101.02457	2.6
106.72487	0.6
107.88342	0.5
109.56351	0.6
113.02450	2.2
119.03529	1.5
121.02918	0.7
122.03735	6.9
125.02436	1.3
131.03522	1.1
137.02435	1.0
139.22589	0.6
143.03563	1.1
154.02657	0.8
161.04561	3.3
182.05806	19.5
189.07080	0.7
197.08160	60.8
198.08464	3.1
211.03615	1.3
359.13361	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	419.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00560	1.5
59.01374	100.0
59.71290	1.3
60.01690	1.3
71.01371	36.7
71.60909	2.9
72.99294	4.4
73.02924	2.2
83.01357	1.9
85.02948	6.9
87.00880	1.9
89.02439	52.4
94.79477	1.2
95.01377	1.6
96.60595	1.3
96.95967	1.4
101.02438	21.1
102.91544	1.2
113.01768	2.1
113.02441	18.3
119.03500	22.9
122.03749	3.0
125.02402	2.6
131.03487	2.2
143.03476	3.6
149.02356	2.8
149.04468	2.0
151.48526	1.3
161.04515	4.4
164.04768	20.3
179.05563	13.3
179.07108	25.8
182.05789	9.1
197.08179	18.8
247.84001	1.4
359.13333	6.4
383.15366	2.1
419.13126	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	419.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45322	0.4
59.01374	100.0
60.01712	1.2
61.98825	0.7
68.03300	0.4
68.89189	0.4
71.01371	3.2
71.61211	0.5
72.99318	0.4
73.02957	1.0
75.00869	0.4
78.10052	0.4
85.02953	2.1
87.00875	0.9
88.98818	1.0
89.02427	3.4
89.75640	0.4
93.03476	1.1
96.96028	0.7
101.02439	4.0
110.30145	0.4
113.02461	1.2
117.05612	0.5
119.03506	1.2
120.99660	1.0
121.02969	0.4
123.04504	0.5
137.02452	2.5
161.04568	1.2
164.04759	0.7
167.03494	1.4
173.04556	1.6
179.05615	0.4
179.07239	0.4
182.05797	5.5
183.06595	0.9
185.34303	0.5
191.05634	1.2
197.08163	11.5
198.08583	0.6
209.08293	0.9
213.05583	0.9
239.05612	0.9
241.05087	1.7
242.05885	0.7
245.13965	1.1
256.07422	1.6
257.08252	0.8
323.07831	1.2
339.26755	0.5
419.14084	2.0
419.19440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01665	0.7
63.56842	0.6
65.42719	0.6
69.56307	4.3
71.01379	2.4
75.97154	0.6
85.02969	0.7
89.02448	2.0
96.96019	1.6
98.20593	1.2
101.02437	1.4
113.02505	1.1
116.99429	0.7
119.03436	0.6
125.02470	2.3
134.03720	27.6
135.04146	0.8
137.02393	0.8
149.06059	59.8
150.03015	0.8
150.06377	3.0
160.60445	0.5
161.04544	0.8
163.02448	0.6
164.04771	2.1
179.07146	1.2
179.92462	0.6
182.28271	0.7
197.08157	28.4
198.08568	1.6
290.90573	0.6
324.89691	0.6
381.14227	1.1
419.11563	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98812	24.9
65.75565	11.4
68.99796	18.6
71.01367	18.8
78.95911	23.8
93.03439	12.4
101.02406	25.1
116.52805	12.0
135.04553	16.4
150.52779	11.9
168.32603	11.8
192.82884	13.2
197.53490	12.4
205.77980	14.4
291.08618	34.0
419.24258	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00958	14.0
59.01364	100.0
61.98821	34.2
67.65143	12.0
68.99810	17.7
70.15282	47.4
70.15690	27.1
74.87112	16.6
78.95888	65.8
88.20356	13.1
88.98801	52.5
89.25822	12.0
96.96030	18.0
101.02448	37.2
101.07941	14.6
111.00868	21.6
127.03992	21.0
169.09485	13.7
212.80907	15.5
223.90445	14.9
252.15088	14.1
291.08743	24.6
329.17142	31.1
336.02036	15.0
419.21704	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2281
Annotation	Euodionoside E
Peak:m/z	Relative Intensity
55.01888	0.8
57.03460	0.8
58.00581	2.2
59.01373	82.1
66.55573	0.5
67.01876	0.7
68.99814	1.9
71.01376	22.5
72.37399	0.5
72.79964	0.5
72.99297	1.0
73.02925	1.5
83.01392	1.7
85.02937	6.0
87.00844	3.2
89.02435	19.2
95.01402	2.5
98.20711	1.2
99.04498	0.9
100.29429	0.6
101.02428	17.2
104.35909	0.5
111.00888	1.9
113.02435	9.5
119.03487	7.6
127.03999	1.2
131.03485	0.7
137.04910	0.7
139.00418	1.0
143.03503	1.4
161.04585	1.5
177.16473	6.4
178.88402	0.6
179.05621	1.6
179.14368	3.4
184.45549	0.7
239.16502	8.7
240.16882	0.7
247.09688	0.8
248.10553	0.8
257.11005	2.4
274.53696	0.6
291.08646	2.5
419.22794	100.0
420.23114	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	419.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65380	0.2
59.01365	0.9
59.04231	0.2
61.68677	0.2
64.98128	0.2
69.29816	0.2
69.30122	1.9
71.01374	0.8
71.43774	0.2
85.02956	1.0
89.02466	0.3
98.20683	0.4
101.02430	2.9
108.11705	0.2
125.00684	0.2
131.03476	0.8
157.11107	0.2
163.06105	4.4
197.13272	0.2
255.23260	100.0
256.23596	8.5
293.21179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3158
Annotation	Irisoquin C
Peak:m/z	Relative Intensity
51.21289	0.5
52.55895	0.5
59.01373	57.9
61.98841	0.7
65.29875	0.6
66.35175	0.5
67.01850	0.5
68.99812	1.3
70.36994	0.6
75.95993	0.5
85.02948	1.1
88.15553	0.5
98.19872	1.8
101.02425	2.1
111.00849	0.7
127.03997	1.7
128.76619	0.6
166.52385	0.6
179.03473	1.1
241.85402	0.5
291.08792	2.8
335.79852	0.6
355.29953	1.7
357.27887	4.0
419.31601	100.0
420.31955	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	420.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.1
59.01381	7.2
59.38836	1.3
61.98824	65.0
68.02531	1.7
69.03459	10.5
70.93931	3.0
70.94298	2.3
71.01395	2.8
71.04993	1.9
93.03426	3.8
111.04499	4.1
111.08161	3.6
113.06089	1.7
137.02443	1.5
139.11281	16.3
155.03479	4.0
170.02855	1.4
173.04539	6.9
182.75497	1.5
183.10239	100.0
184.10535	4.3
193.04991	2.2
254.43822	1.6
300.10672	2.0
357.15491	61.1
358.15787	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	420.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61910	1.0
52.84682	0.9
57.03450	1.2
59.01360	2.2
61.98822	15.1
67.01885	3.0
69.03453	2.0
71.01381	3.6
71.32180	2.6
80.51523	1.0
93.03449	23.5
93.03993	1.9
95.09363	1.1
102.11551	1.1
111.04526	5.3
123.00861	4.0
124.01633	2.4
137.02422	7.5
138.03210	1.1
139.03966	1.9
139.11198	2.3
144.30336	1.0
155.03502	4.1
161.10283	1.0
167.89970	1.1
173.04523	100.0
174.04883	2.4
183.10234	8.9
239.05513	1.8
267.07077	1.7
281.06558	2.4
282.09869	2.5
357.15515	40.4
358.15848	3.7
368.52509	1.1
420.11368	12.7
421.11237	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	420.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82253	0.6
54.88282	0.6
58.20997	0.6
59.01373	100.0
60.01709	0.9
61.98829	1.0
66.14587	0.6
69.03453	1.0
69.28729	2.4
69.29156	2.9
71.01383	1.2
73.02961	0.7
78.87236	0.6
89.02431	0.6
94.77031	0.5
98.19867	1.0
101.02458	0.7
113.02432	0.6
116.09544	0.6
122.02483	1.4
137.06125	0.7
139.06372	0.6
144.76305	0.6
152.03558	2.0
173.04539	1.9
179.05634	0.5
179.07117	14.1
180.07567	1.1
257.10959	0.7
257.61340	1.1
258.11932	0.9
343.90521	0.8
420.22864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45328	0.6
58.02813	4.3
58.03144	4.1
59.01205	3.3
59.01557	2.8
61.98700	0.7
67.89958	0.6
68.29335	0.6
69.03275	8.2
69.03703	4.4
71.62955	0.7
72.00726	2.1
72.01163	1.1
73.03874	4.6
73.04338	2.3
81.03325	0.6
82.06486	0.8
89.98713	0.5
91.05318	2.5
93.03240	2.7
95.01268	0.7
95.04811	0.8
97.03909	1.2
97.04449	0.6
98.02262	2.7
103.30576	0.6
107.04793	6.8
107.05592	1.3
108.07996	1.4
108.08687	0.7
109.02796	0.7
109.06392	1.4
111.04290	0.8
111.12206	0.5
113.02264	1.3
115.04908	3.5
116.03378	0.8
117.67513	0.6
118.06477	0.9
119.04781	5.8
121.02725	1.5
126.09064	0.8
127.03770	0.7
128.26349	0.6
129.10085	12.6
129.11136	1.8
135.04373	1.2
137.02234	1.0
137.05827	14.6
139.00169	1.0
139.08598	0.8
140.37320	0.6
141.10150	1.5
141.99767	0.6
143.11673	1.0
147.04254	15.9
147.05518	1.4
151.08499	2.0
152.06921	8.3
152.08232	0.9
153.05318	1.1
155.08018	1.0
163.03741	2.3
164.06902	35.1
164.08408	2.3
165.07271	1.4
168.11148	14.8
169.09628	1.3
169.11475	0.8
173.04338	0.6
181.05043	7.6
186.12454	33.6
186.13988	1.4
187.12555	1.3
196.09526	2.3
210.12453	20.1
211.10588	2.6
211.12546	1.4
228.13477	3.3
233.16595	10.3
234.16708	1.1
249.07451	1.8
250.07188	0.6
259.14389	1.3
277.15564	6.0
278.15948	0.7
290.18713	9.0
299.09030	2.7
317.10257	5.1
332.19775	4.2
376.18713	100.0
377.19061	11.3
402.20087	1.1
420.14972	1.0
420.21414	20.1
421.21768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.275
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
51.78754	0.6
57.50022	0.6
59.01369	1.9
61.98825	1.9
70.99083	0.8
70.99412	1.4
78.58055	0.6
78.96455	0.6
92.18627	0.7
93.03422	0.7
93.72046	0.7
101.02448	0.7
121.02942	100.0
122.03295	3.4
127.86970	1.0
159.86031	1.2
181.45399	0.7
316.11636	0.7
384.07440	0.9
420.27505	59.8
421.27725	7.1
442.40186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78370	0.9
59.01363	1.2
71.60404	1.3
78.95902	1.4
85.02932	9.7
87.00851	1.2
93.03426	3.6
111.04549	0.9
113.74912	0.9
119.42991	0.9
126.62458	1.0
127.03959	2.8
184.39461	1.0
191.05582	100.0
192.05928	4.8
370.79449	1.1
418.85193	1.2
421.07483	10.0
423.71909	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27224	0.8
59.01370	41.4
67.01878	2.9
67.66214	0.8
69.03447	88.0
69.25995	8.8
70.03783	1.4
71.01372	2.1
81.03453	3.3
85.02937	6.1
86.58333	0.8
87.00840	0.9
91.05524	2.3
93.03444	12.3
93.07084	1.8
95.01340	5.4
95.05007	9.5
97.02856	0.9
99.04519	0.9
107.05016	56.6
108.05370	1.5
109.02926	5.2
109.06577	7.1
111.00855	2.8
111.04512	5.4
113.02431	7.6
119.05005	42.2
120.05336	1.6
121.02940	11.4
122.03695	1.0
123.04530	1.4
127.04019	6.1
135.04524	4.2
137.02435	8.4
137.06062	100.0
138.06390	3.0
139.00346	3.8
141.41035	0.8
142.26883	0.8
150.16068	0.8
151.07581	1.2
153.05511	5.8
163.04013	13.6
164.04456	0.8
165.01918	1.2
176.96832	0.7
181.05045	47.9
182.05357	2.3
191.03569	1.2
195.06596	2.7
199.06110	2.7
241.07246	1.5
249.07607	9.6
273.07596	2.8
287.09161	3.2
289.10483	1.2
293.06659	3.7
299.09183	18.1
300.09634	1.5
317.10236	30.3
318.10529	2.0
421.24173	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	421.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93598	0.9
57.03429	1.2
59.01090	1.9
59.01371	31.8
59.62726	0.9
64.83892	0.9
67.01894	2.3
69.03445	86.0
69.77261	1.6
69.77671	3.9
71.01392	1.8
81.03442	3.6
83.05016	1.8
85.02935	7.4
87.00909	1.0
89.61376	1.0
91.05536	3.0
93.03436	14.6
93.07047	1.3
95.01356	5.9
95.05010	10.1
99.04504	1.2
107.05016	58.5
108.05392	1.0
109.02953	4.5
109.06561	6.6
111.00845	2.6
111.04517	4.7
113.02426	6.9
119.05009	39.2
120.05305	1.2
121.02933	8.6
122.03708	1.8
123.04482	1.8
127.03977	5.9
128.18433	1.0
135.04489	4.5
137.02473	5.8
137.06062	100.0
138.06427	3.3
139.00333	5.1
143.24611	0.9
151.07518	1.1
153.05588	5.9
163.03981	11.5
163.81927	0.8
165.01926	2.5
181.05042	48.8
182.05350	2.9
191.03340	1.0
195.06534	2.7
198.21361	0.9
199.06058	2.8
205.97986	1.0
249.07605	8.8
271.09525	1.3
273.07596	1.6
287.09113	1.3
289.10770	1.8
293.06647	4.0
299.09207	15.5
317.10263	27.5
318.10602	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	421.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02607	1.5
55.01858	1.7
58.00576	4.4
59.01374	100.0
60.01701	2.7
63.15315	1.4
67.01879	16.4
68.99812	11.6
69.03452	24.9
71.01374	50.8
72.99297	4.4
83.01395	2.6
85.02962	9.5
87.00860	11.1
87.04493	3.5
89.02437	71.3
93.03409	3.1
95.01372	6.2
95.05016	67.9
101.02434	64.4
102.02785	2.8
110.13420	1.5
111.00877	10.1
111.04514	1.8
113.02435	17.3
113.06082	5.4
119.03490	26.1
121.02943	16.7
121.06564	6.2
123.04525	11.8
127.03999	65.8
137.02408	2.6
139.00365	30.9
139.03981	27.8
143.03465	5.3
143.90791	1.9
149.04514	3.1
153.05557	4.0
155.03532	7.9
161.04514	5.4
165.01895	4.2
165.05569	13.6
167.03452	10.2
171.02977	1.5
174.19302	1.6
178.43103	1.5
179.05562	13.1
183.06520	1.8
197.04509	8.0
205.65941	1.6
209.04482	6.2
241.07149	66.5
242.07487	4.9
345.08130	2.0
389.10913	8.3
421.13321	24.2
421.18375	3.0
422.13721	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	3.6
59.01374	100.0
61.98827	6.8
67.01879	9.4
67.97775	1.7
68.99809	9.9
69.03448	39.6
69.84743	3.0
69.85168	6.8
70.10613	1.3
71.01376	55.2
72.99307	3.5
73.02938	1.9
74.61903	1.4
78.91886	2.5
83.01374	2.8
85.02522	1.9
85.02943	10.6
87.00844	3.4
87.04491	8.9
89.02436	84.8
91.45067	1.5
93.03458	3.4
95.01380	6.2
95.05017	53.6
97.02995	2.0
101.02435	50.8
101.03077	3.1
105.65423	1.7
108.02177	2.1
111.00873	10.7
113.02435	24.6
113.06090	6.9
115.84540	1.4
119.03493	29.5
120.99677	2.1
121.02953	11.7
121.06598	2.4
123.04542	11.4
125.02458	2.2
127.04002	34.6
128.04312	1.8
131.03513	4.3
135.04430	1.8
137.02415	1.9
137.06056	2.3
139.00368	24.6
139.04005	19.1
143.03517	6.4
147.04451	1.6
149.02449	1.7
153.05516	2.2
155.03488	5.9
161.04578	6.1
163.04022	1.7
165.01917	6.8
165.05533	9.3
167.03465	8.1
179.05620	18.8
195.06602	2.7
197.04514	20.6
199.09833	1.8
209.04533	6.5
223.06003	2.7
229.65247	1.5
241.07164	41.3
242.07573	2.1
361.14972	5.1
389.10886	6.6
421.13364	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	421.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76933	11.1
59.01379	26.7
62.02075	10.4
67.01884	13.9
68.99795	43.4
69.03442	18.0
69.36762	23.9
69.37171	69.2
85.34324	10.0
95.05019	34.7
96.95998	36.3
98.19885	16.7
101.02418	85.1
111.00859	25.6
115.92027	25.5
127.03996	43.3
139.00311	25.1
139.03970	16.0
191.08224	12.4
241.07149	12.9
259.09628	30.5
291.08640	100.0
402.23218	11.3
421.25540	35.9
422.12408	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	421.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48222	8.5
53.96605	10.3
57.21725	11.5
59.01368	21.8
62.24037	9.1
67.01866	24.1
68.99827	47.2
69.03435	11.4
69.64690	55.0
88.27485	9.1
91.91676	9.2
95.05008	46.8
101.02431	100.0
111.00848	42.8
127.04044	55.0
139.00336	25.3
139.04013	20.5
153.01959	12.5
224.49942	8.9
259.09702	25.3
291.08673	99.9
292.09067	10.3
362.95316	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	421.1547
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
53.11599	18.6
59.01368	52.5
61.98824	23.1
69.54725	100.0
71.37947	16.5
96.95994	35.3
102.26523	16.0
275.13089	24.1
421.15506	93.2
421.22971	22.1
421.30826	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96067	3.9
59.01374	56.0
60.12902	3.9
61.98815	17.3
71.01357	21.3
71.61961	4.3
71.62343	5.3
72.99289	5.2
73.02923	5.4
75.00860	66.0
76.26330	4.7
85.02921	7.5
86.25820	3.9
87.04535	4.0
89.02418	6.4
93.03421	7.7
101.02431	9.9
101.06097	4.3
108.02142	17.3
111.00859	5.8
113.02473	10.4
119.04988	4.9
119.28137	3.7
122.03677	8.4
123.04526	24.3
133.02911	4.7
134.03693	9.4
135.04463	10.3
142.39807	3.9
149.02420	19.1
150.03207	95.2
152.01149	29.2
153.09183	21.5
158.06781	4.1
159.02985	5.6
164.04761	6.8
165.05554	100.0
166.05847	5.5
167.03484	95.1
173.04555	7.4
173.06036	4.3
179.03423	5.6
180.04150	6.1
183.10236	19.3
184.10567	17.3
193.05045	10.4
195.06622	60.3
197.08214	29.0
225.03990	46.7
235.06068	6.9
279.77072	4.8
281.86148	4.5
315.08685	6.3
316.78839	4.1
358.15729	13.8
363.10715	25.1
372.00562	4.3
421.11600	13.4
421.16153	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96067	3.9
59.01374	56.0
60.12902	3.9
61.98815	17.3
71.01357	21.3
71.61961	4.3
71.62343	5.3
72.99289	5.2
73.02923	5.4
75.00860	66.0
76.26330	4.7
85.02921	7.5
86.25820	3.9
87.04535	4.0
89.02418	6.4
93.03421	7.7
101.02431	9.9
101.06097	4.3
108.02142	17.3
111.00859	5.8
113.02473	10.4
119.04988	4.9
119.28137	3.7
122.03677	8.4
123.04526	24.3
133.02911	4.7
134.03693	9.4
135.04463	10.3
142.39807	3.9
149.02420	19.1
150.03207	95.2
152.01149	29.2
153.09183	21.5
158.06781	4.1
159.02985	5.6
164.04761	6.8
165.05554	100.0
166.05847	5.5
167.03484	95.1
173.04555	7.4
173.06036	4.3
179.03423	5.6
180.04150	6.1
183.10236	19.3
184.10567	17.3
193.05045	10.4
195.06622	60.3
197.08214	29.0
225.03990	46.7
235.06068	6.9
279.77072	4.8
281.86148	4.5
315.08685	6.3
316.78839	4.1
358.15729	13.8
363.10715	25.1
372.00562	4.3
421.11600	13.4
421.16153	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	421.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38277	7.7
55.07261	7.2
55.86393	7.4
58.97609	6.5
59.01360	27.1
59.78739	6.1
61.98812	12.3
69.63512	40.4
73.02940	7.1
77.30376	6.8
80.36082	7.3
83.36446	7.5
88.68602	5.7
89.02432	12.5
93.03474	7.1
96.95898	6.8
98.19863	9.7
101.02437	9.3
113.02496	9.9
161.02357	10.1
181.65454	7.3
421.16309	100.0
422.16571	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	421.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42387	0.6
55.57757	0.6
57.03431	1.9
58.02964	1.7
59.01360	2.1
69.32299	0.8
69.32512	2.2
69.32927	3.6
70.02966	10.1
71.05006	11.9
74.79913	0.7
79.84270	0.6
87.05607	5.2
88.12666	0.6
98.19781	1.3
99.04477	4.8
106.98595	0.7
115.05100	0.9
116.07175	2.0
129.05505	1.3
130.03310	8.4
146.08211	70.5
147.05959	3.3
147.08563	2.6
153.65074	0.7
167.52110	0.7
217.11887	17.8
218.12146	0.7
243.13315	0.8
245.63188	0.7
275.13803	0.6
277.12225	100.0
278.12579	7.0
319.13385	1.1
421.16495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02219	1.0
58.00592	2.7
59.01374	100.0
60.01694	1.3
60.99310	1.9
61.98822	1.8
68.99798	1.4
69.03452	2.3
70.80441	1.5
70.80790	1.6
71.01376	43.1
72.99287	2.9
83.01378	1.0
85.02951	5.9
87.00864	3.3
88.98802	8.8
89.02436	61.4
95.01385	2.3
95.05010	2.4
96.96008	1.7
96.96936	1.2
101.02425	25.9
101.03071	1.6
105.03445	3.2
113.02434	17.2
119.03482	23.4
121.02969	1.7
121.06631	1.1
123.04491	1.4
127.04006	3.9
131.03502	2.0
137.02461	1.8
139.00313	1.9
139.03917	1.2
143.03464	5.8
146.49161	1.0
149.02437	8.4
149.04564	3.1
151.54312	1.0
153.05553	3.1
161.04524	8.2
163.06197	1.0
165.01918	2.4
166.02393	1.0
179.05592	24.1
181.05026	8.4
181.07108	2.8
195.06639	8.8
207.02925	1.3
239.05544	1.8
258.06720	1.1
259.32965	1.0
262.71893	1.2
264.76868	1.1
265.41568	1.1
278.36929	1.1
361.14954	2.9
389.10858	4.1
390.10327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
58.00585	2.3
59.01371	100.0
60.70933	1.3
61.98833	9.1
67.01875	2.5
68.56990	1.4
68.99797	2.3
69.03433	5.3
71.01374	36.2
73.02934	5.3
75.00849	1.9
76.60910	1.2
78.91869	4.3
78.95882	2.3
83.01375	5.1
85.02940	12.3
86.40095	1.4
86.86604	1.3
87.00872	2.7
89.01904	2.5
89.02426	30.2
95.01357	3.5
95.05005	8.7
96.96001	8.4
96.96945	1.7
99.00848	2.4
101.02434	32.6
107.08626	2.5
111.00844	3.1
113.02431	17.4
113.06046	1.8
114.05646	1.7
119.03508	10.7
120.99575	1.5
121.02959	2.2
121.06516	1.9
123.04462	3.1
123.22600	1.4
127.03986	9.4
137.09657	1.9
139.00343	4.4
139.03990	4.0
143.03482	3.5
145.71272	1.3
149.02449	1.7
149.04457	1.5
153.05486	1.3
155.98798	2.2
159.02977	1.8
161.04529	15.8
165.05557	2.5
179.05586	5.0
181.08678	3.5
191.05663	1.9
197.04425	2.3
199.09711	3.7
209.50746	1.5
223.93042	1.5
241.07130	7.9
241.65417	1.4
343.13922	9.7
361.14975	57.1
362.15140	4.5
382.01971	1.3
383.15433	7.1
385.15659	1.7
415.71793	1.9
421.08267	1.3
421.13132	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53121	0.6
56.61504	0.7
57.03441	0.9
58.00577	0.9
59.01370	100.0
60.01706	1.6
61.98801	0.7
69.49635	5.2
71.01364	6.7
73.02933	1.8
75.00881	1.3
83.01385	0.9
83.05028	2.0
85.02945	4.8
87.00880	1.0
89.02428	4.0
95.01380	1.4
98.20657	1.4
101.02430	7.1
113.02434	6.3
119.03463	3.6
131.88078	0.7
133.02953	0.8
135.04541	1.3
137.09702	5.9
143.03508	0.8
155.10757	14.5
161.02420	1.2
161.04478	3.8
179.03520	1.7
181.08717	2.8
199.09720	78.5
200.10063	4.6
213.11304	7.5
215.12953	0.8
223.09628	1.1
241.10756	5.9
250.27432	0.7
253.10927	0.9
271.11856	1.0
361.14801	1.2
361.18784	1.6
399.04562	0.9
421.16666	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	421.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38062	1.4
55.01867	2.7
55.37736	1.5
57.03431	4.5
59.01372	53.2
61.98835	12.3
63.90948	1.3
68.99790	1.6
71.01379	22.2
73.02937	6.0
75.00883	3.3
82.95421	2.3
83.01364	2.9
85.02950	8.2
87.00864	3.3
87.05612	1.5
89.02435	9.4
93.03448	1.7
95.01360	2.1
97.02964	1.4
99.00895	3.4
99.04494	1.9
99.28032	1.4
101.02435	13.9
101.06075	3.7
113.02457	11.6
113.99586	2.9
115.00361	2.5
119.03487	3.7
119.08648	1.9
127.00385	2.1
134.03709	2.9
135.04482	2.0
137.02249	1.5
137.09679	15.6
146.08234	8.5
149.02347	2.9
150.03275	2.0
153.09160	2.7
161.04573	14.3
164.04814	1.9
164.35066	1.5
167.07031	1.6
169.08655	8.3
174.01654	3.5
175.02541	1.8
175.03923	2.3
179.03574	1.8
179.05569	2.1
181.08681	100.0
182.09009	5.6
190.02826	3.1
193.04996	3.3
195.06526	1.4
197.08157	4.9
197.11786	1.4
199.09676	9.6
205.05061	5.1
223.06140	8.0
235.06001	1.7
241.10741	7.3
247.06068	2.0
277.12289	9.9
295.08093	2.5
361.14981	86.7
362.15274	6.8
363.28336	1.7
385.11359	3.8
421.12851	23.0
422.13864	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	421.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
58.00572	0.7
59.01371	100.0
60.01704	1.0
61.98815	0.6
65.04482	0.6
66.19613	0.5
69.30988	4.3
69.31406	0.9
71.01380	8.9
72.99323	0.7
73.02961	1.5
75.00878	1.7
80.99790	0.5
83.05033	1.6
85.02944	3.3
89.02429	4.4
93.20631	0.5
95.01417	1.2
101.02427	4.8
113.02416	6.0
119.03496	2.4
123.08168	0.6
133.03000	0.7
135.04492	2.0
137.09714	5.4
139.04056	0.6
152.44063	0.5
155.10753	11.3
159.03049	1.0
161.02457	2.2
161.04550	5.4
169.12427	0.6
179.03487	1.1
179.05638	0.9
181.08655	3.0
181.12346	1.3
199.09721	48.8
199.13493	1.4
200.10124	2.3
213.11287	4.7
239.09375	0.8
241.10802	3.2
241.88889	0.5
243.12212	1.1
253.04672	0.7
259.11954	1.0
271.11801	1.3
361.18738	2.9
421.16965	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	421.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13221	0.4
61.98814	0.6
62.96518	0.4
69.66633	0.9
69.67049	1.9
73.95731	0.4
80.91667	0.9
80.96508	0.6
98.19827	0.5
134.57809	0.5
163.11266	100.0
164.11588	4.8
183.01221	0.8
220.51614	0.5
339.23233	69.2
340.23563	7.0
344.39954	0.4
379.21127	0.6
421.22614	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	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	28.3
61.27573	6.5
61.98812	13.6
71.16315	8.4
88.98817	36.3
89.02404	14.8
90.07056	6.1
100.20884	6.4
109.98006	6.6
111.12530	6.9
121.03016	8.1
121.87804	7.0
125.09686	11.3
152.46214	6.0
207.10010	9.7
219.10112	12.4
233.15390	70.8
249.14751	7.6
277.21667	9.3
285.20581	23.6
286.15930	7.2
313.17767	12.4
315.19586	6.2
331.18713	9.4
349.19989	12.5
403.24911	100.0
404.24982	10.0
421.26086	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	68.2
61.98808	10.6
69.24876	4.8
71.61141	6.6
81.03432	10.6
88.98818	8.7
89.02489	6.7
96.95995	100.0
121.02972	9.9
146.99767	8.7
147.36446	4.6
150.03134	5.8
159.11719	10.4
174.99210	39.2
187.11206	23.4
189.00766	27.3
205.04335	5.8
219.13901	7.7
285.20792	6.7
334.09567	4.9
361.20358	7.1
410.73120	5.8
421.11887	69.0
421.22131	52.0
421.31158	6.3
422.11774	5.6
434.60184	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	421.2592
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.91440	0.9
57.03432	1.8
59.01382	7.2
60.29443	0.8
61.98827	3.0
65.45478	0.8
68.99562	3.0
69.87904	4.8
81.03458	1.7
83.05022	6.3
85.06583	2.2
87.08741	0.8
87.36018	0.9
88.26866	0.8
90.49037	0.8
93.03461	1.1
95.05006	1.4
97.06570	2.5
107.08627	1.0
109.06520	1.9
111.08163	1.8
112.98560	3.0
123.08150	1.4
124.72585	0.9
125.09721	7.3
135.08279	1.1
141.50475	0.8
145.06143	1.1
163.11246	1.1
171.10260	20.2
172.10565	1.0
187.14853	1.3
189.16560	1.3
205.16020	3.2
209.11819	2.3
211.13275	4.7
215.14325	1.9
221.15439	3.3
231.13890	2.1
233.15413	24.5
235.13441	0.9
247.13322	1.1
249.14940	9.0
251.16653	1.9
252.13712	1.1
257.17511	2.5
283.19080	1.0
285.20804	1.1
301.20142	2.0
331.26270	2.5
341.24939	1.6
359.25977	1.6
367.22705	1.0
375.25378	1.5
377.26801	2.6
385.24045	4.2
393.26706	1.2
403.19327	1.5
403.24829	49.9
404.24988	6.3
421.25937	100.0
422.26266	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	421.2589
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03434	3.0
59.01387	4.1
61.98814	1.9
67.80000	0.8
74.52950	0.9
83.05019	1.0
88.12283	1.0
88.98812	2.2
89.02436	1.4
96.96000	5.6
99.00780	0.8
111.08167	1.5
113.09711	1.8
121.02968	1.0
123.02428	0.9
127.11296	2.5
141.12917	1.6
162.82864	1.1
174.15355	0.8
211.20700	1.2
218.01752	0.8
220.67424	0.9
221.19069	42.9
222.19449	2.5
237.18631	1.4
239.20117	8.4
257.21255	1.6
265.18048	29.0
266.18317	1.3
275.64923	0.9
283.19113	41.2
284.19455	4.3
285.20694	15.0
286.21179	1.4
301.20148	100.0
302.20459	10.0
421.25919	95.5
422.26190	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	422.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.9
60.01713	0.4
61.98824	100.0
62.98531	0.4
69.03466	0.5
70.29966	0.7
71.01385	1.8
73.02946	0.4
75.00870	0.4
78.91856	0.3
80.91672	0.4
81.65792	0.3
83.01381	0.3
85.02956	0.8
87.00899	0.4
89.02424	2.4
95.05042	0.7
96.95997	1.4
96.96967	0.3
99.00889	0.3
101.02435	1.7
102.02743	0.5
102.98611	0.6
113.02454	0.8
119.03509	0.7
120.99678	0.6
121.06625	0.3
127.03954	0.3
139.00333	0.5
155.98865	0.5
161.04565	0.8
161.05978	0.4
179.05542	0.4
191.05719	0.3
192.06644	0.3
295.70862	0.4
302.85519	0.3
311.43573	0.3
362.15472	0.8
363.16833	0.7
391.12268	0.4
422.13504	0.6
423.14905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03104	1.7
59.01366	8.0
61.98824	17.6
63.91240	1.5
65.99049	1.5
68.89620	1.7
69.03462	1.8
69.82365	5.5
69.82756	3.4
71.01362	4.6
84.05828	1.9
85.02946	2.9
87.66329	1.9
89.02435	3.1
92.03734	1.6
93.03461	3.6
95.28937	1.5
101.02452	3.6
109.02937	1.9
111.04515	4.1
113.02423	5.3
123.00882	2.8
134.03726	17.0
155.03494	2.9
167.04979	1.7
173.04523	12.5
174.04927	4.3
175.05125	2.6
185.11790	100.0
186.07657	3.9
186.12144	5.3
193.04984	15.7
204.08899	2.1
246.09732	3.4
311.25082	2.0
359.17023	40.8
360.17438	3.8
422.11731	6.0
423.18610	3.5
425.41367	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58622	3.9
59.01379	35.9
61.98826	9.4
69.79685	17.1
69.92731	3.7
71.01363	15.9
73.02944	27.0
77.40041	3.5
85.02938	4.3
89.02431	13.6
94.14350	3.7
96.96002	7.2
98.02194	4.3
98.20621	4.1
101.02422	17.0
113.02397	6.0
118.98066	4.6
120.99649	25.6
123.04552	7.8
128.50504	3.9
138.03194	4.0
149.02446	39.9
150.03185	28.1
164.04765	47.4
165.05583	30.9
166.02718	9.2
173.04474	4.2
173.45866	3.7
175.00241	5.9
175.03842	4.2
179.07082	12.4
181.04930	6.3
181.07172	5.8
183.06525	5.2
190.02716	14.9
193.04976	4.0
195.06668	31.3
199.13272	5.3
205.05107	24.2
223.06090	100.0
225.07884	4.6
243.12283	30.0
295.08209	6.5
375.14221	5.8
381.35022	4.7
387.12781	41.9
387.16708	5.9
423.09738	4.9
423.18552	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	423.106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00909	0.9
59.01380	4.3
61.98821	5.1
69.37879	3.9
69.38291	4.7
71.01378	1.7
73.69634	1.1
87.07214	1.0
91.18101	0.9
92.85012	1.1
93.03426	1.0
93.07059	1.5
98.19915	2.6
101.02449	1.5
106.04245	6.1
121.02939	1.2
121.06584	36.5
122.06905	1.8
123.04554	1.2
149.02371	2.1
149.06078	7.1
150.03203	4.7
153.05508	1.2
165.05586	2.4
181.08685	41.9
182.09053	2.0
193.05055	4.2
209.04538	1.8
225.07657	100.0
226.07997	5.5
423.11761	1.7
423.17230	3.0
423.22440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
61.98825	100.0
69.26209	1.4
69.26625	6.1
82.75110	0.6
83.84784	0.7
93.03514	0.9
98.20650	1.7
101.02417	1.0
120.68487	0.7
136.44666	0.7
143.92339	0.7
173.04562	3.1
174.04845	1.3
191.05675	0.9
204.84059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83752	1.3
59.01376	6.0
61.98828	28.8
68.01418	1.2
71.18517	2.8
71.18865	1.3
73.02942	32.9
75.52965	1.4
78.95901	5.4
88.23547	1.2
96.95992	5.5
115.92089	1.3
116.05051	54.7
117.05396	1.9
119.05012	3.1
124.03993	1.7
134.03719	9.8
141.04581	1.3
142.06604	34.0
143.06084	1.4
143.07082	1.4
144.04498	3.0
149.06065	96.2
150.06416	5.1
152.99567	6.6
154.05328	2.7
160.04091	1.7
166.06549	2.6
168.08162	7.6
169.37285	1.2
171.10239	2.9
176.07146	99.7
177.07504	5.3
186.05527	3.4
206.09644	1.3
218.08148	12.8
219.08511	1.4
230.08340	1.7
236.09241	1.4
245.10736	2.5
247.08725	3.3
251.08188	2.5
267.64313	1.2
273.10278	10.4
278.27982	1.3
303.21826	7.5
305.12912	100.0
306.13229	11.7
347.13922	4.0
379.16260	1.6
380.80533	1.2
405.26483	2.3
409.96973	1.2
423.15982	8.2
423.22034	1.8
423.27502	16.2
424.27863	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	423.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61560	1.1
59.01372	7.7
61.98570	1.3
61.98828	17.5
67.01886	1.4
68.99828	8.3
69.03439	5.3
69.18349	1.4
71.01357	4.4
71.61000	1.3
71.61346	1.3
78.95889	1.6
81.03422	2.4
81.07061	2.0
83.05025	3.0
85.02950	9.2
87.00864	1.9
93.03455	10.0
93.09621	1.3
95.01377	2.2
99.04498	5.7
101.02435	12.9
105.07068	2.1
107.04972	1.3
111.04514	8.0
113.02409	4.2
114.02161	1.7
121.02936	2.5
127.03986	3.3
129.01891	2.1
133.02916	5.6
135.04491	13.6
137.02391	1.7
137.05988	1.4
140.39882	1.3
149.02408	2.9
153.02007	1.5
155.03476	6.1
161.02415	16.0
161.13347	14.9
165.12686	1.4
173.04524	26.0
175.02492	1.4
179.03481	10.2
191.05583	59.8
205.12299	100.0
206.12608	5.9
239.77422	1.4
249.11279	35.3
250.11545	2.7
290.34250	1.2
311.09497	8.9
311.59607	3.9
332.10120	1.5
358.09930	1.6
423.16623	23.1
424.16394	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	423.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61560	1.1
59.01372	7.7
61.98570	1.3
61.98828	17.5
67.01886	1.4
68.99828	8.3
69.03439	5.3
69.18349	1.4
71.01357	4.4
71.61000	1.3
71.61346	1.3
78.95889	1.6
81.03422	2.4
81.07061	2.0
83.05025	3.0
85.02950	9.2
87.00864	1.9
93.03455	10.0
93.09621	1.3
95.01377	2.2
99.04498	5.7
101.02435	12.9
105.07068	2.1
107.04972	1.3
111.04514	8.0
113.02409	4.2
114.02161	1.7
121.02936	2.5
127.03986	3.3
129.01891	2.1
133.02916	5.6
135.04491	13.6
137.02391	1.7
137.05988	1.4
140.39882	1.3
149.02408	2.9
153.02007	1.5
155.03476	6.1
161.02415	16.0
161.13347	14.9
165.12686	1.4
173.04524	26.0
175.02492	1.4
179.03481	10.2
191.05583	59.8
205.12299	100.0
206.12608	5.9
239.77422	1.4
249.11279	35.3
250.11545	2.7
290.34250	1.2
311.09497	8.9
311.59607	3.9
332.10120	1.5
358.09930	1.6
423.16623	23.1
424.16394	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	423.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81359	0.4
57.03453	0.8
59.01370	2.1
60.99286	0.9
61.98824	1.4
66.60865	0.3
67.01890	5.0
68.99831	0.6
69.03449	1.1
69.36711	1.4
69.37129	1.5
71.01371	3.2
71.30737	0.3
75.20417	0.3
81.03459	0.8
81.07113	0.4
83.01360	0.4
83.05026	1.1
85.02935	1.8
87.00893	0.5
88.26304	0.3
93.03448	28.8
94.03786	0.9
99.04499	0.9
100.51856	0.3
101.02408	1.1
109.02955	1.2
111.00869	0.8
111.04502	6.1
113.02442	0.5
127.03974	0.5
133.02969	0.5
133.83707	0.3
135.04482	0.4
137.02426	4.1
155.03458	4.4
161.02434	1.3
161.13306	3.0
173.04524	100.0
174.04858	3.9
179.03667	0.4
191.05589	6.8
205.12314	4.8
249.11269	6.2
266.71838	0.3
311.09393	0.7
311.60275	0.4
326.63168	0.4
423.16571	11.3
424.16867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	57.1
59.23069	8.0
61.98830	77.5
64.47286	8.8
71.01382	14.8
71.60770	13.6
75.00855	72.8
75.17648	7.6
85.02955	13.8
89.02473	10.2
91.82784	9.2
97.42952	6.5
101.02413	18.5
104.96857	7.8
108.71859	9.4
153.51591	7.6
153.80617	9.4
159.02919	10.8
159.67587	7.4
201.11330	19.9
225.11267	21.0
243.12350	50.8
279.50363	7.4
341.80850	9.0
385.08456	8.4
423.17874	100.0
423.22925	7.9
424.18515	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	423.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92087	9.4
59.01373	67.9
59.11939	9.5
60.68646	9.5
61.98816	36.7
62.42373	9.4
68.71944	10.1
71.01388	27.5
71.62406	10.1
73.02950	10.3
85.77695	8.9
89.00582	10.2
89.02444	21.3
91.38277	9.1
100.54470	9.4
101.02444	26.3
113.02472	12.3
118.98028	11.6
120.99692	22.6
135.04492	17.3
150.03108	13.8
152.46030	9.0
153.43098	9.3
161.04518	10.6
165.05522	32.0
179.03502	16.6
199.13184	11.8
243.12491	12.7
245.27721	10.9
271.55893	10.2
355.31799	10.5
372.30685	14.2
423.12796	14.8
423.17865	100.0
423.22552	14.0
428.78030	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	423.1786
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
51.86758	3.4
59.01384	9.0
67.40128	3.7
71.01386	7.2
81.21333	3.4
89.02400	4.8
97.81796	3.7
98.20612	9.5
107.58199	3.8
112.05484	3.7
116.89053	3.4
121.59589	3.7
135.04501	3.9
149.02370	6.6
150.88452	4.5
161.02406	3.8
163.57010	4.5
164.04799	4.3
171.43719	3.7
179.03416	5.1
387.20227	10.0
423.17871	100.0
424.18002	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	423.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40770	8.7
54.58205	7.6
57.26317	8.9
59.01359	51.9
61.98815	29.0
66.86202	8.7
66.88139	7.6
69.28193	88.3
71.01371	13.0
72.98780	9.4
74.26263	8.1
89.02420	15.9
98.20633	20.3
118.98103	11.0
134.03708	9.3
150.03154	14.6
165.05499	26.0
198.21680	9.7
199.13329	12.0
288.55521	10.0
324.76260	8.5
391.63510	10.2
423.12454	16.7
423.17892	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	423.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65602	0.6
51.78896	0.8
55.01857	1.4
57.03447	1.8
59.01374	82.3
61.85936	0.8
61.98830	0.8
62.62262	0.8
64.15102	0.8
65.06089	0.8
65.26200	0.8
68.80482	0.8
68.99812	0.9
71.01376	20.1
71.60961	1.4
73.02942	6.4
78.95878	1.5
80.91669	2.2
81.96442	0.7
83.01377	3.1
85.02925	8.7
87.00872	1.7
89.02437	8.9
95.01393	2.0
96.96003	9.3
96.96964	1.5
97.02910	1.0
99.00866	11.4
101.02429	17.9
113.02427	8.6
119.03471	4.3
119.05013	1.0
123.00858	1.5
141.01926	11.5
159.02907	1.4
161.02432	1.0
161.04530	6.1
183.10257	0.9
198.93047	1.0
201.11284	5.4
243.12428	1.4
257.26697	0.9
261.13367	1.1
356.92505	0.9
363.16559	100.0
364.16858	7.4
423.18701	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	423.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07750	1.1
55.01863	2.6
57.03436	2.6
58.00593	1.5
59.01374	78.2
71.01376	39.8
72.99284	3.0
73.02940	11.3
75.00863	1.7
78.42842	1.1
78.95898	4.4
80.91686	1.3
81.55968	1.4
83.01371	5.7
85.02939	19.7
87.00855	3.4
87.04491	1.8
89.02432	18.2
95.01375	2.6
96.96005	37.8
96.96938	8.1
99.00865	4.4
101.02435	31.9
113.02441	17.3
115.92056	2.2
118.29575	1.2
119.03493	8.4
126.05260	1.2
143.03436	2.1
159.02936	3.2
161.04538	19.4
179.05585	1.8
183.10158	1.3
199.13322	2.7
201.11258	9.4
243.12321	3.6
261.13342	13.5
363.16562	100.0
364.16989	9.5
423.18893	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	423.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80960	0.5
54.15775	0.5
57.77490	0.4
59.01372	100.0
60.01690	0.5
61.98845	0.6
71.01375	4.9
73.02920	1.1
75.00802	0.5
85.02961	1.6
89.02418	1.1
95.05089	0.5
101.02442	2.2
113.02465	1.3
118.51051	0.5
161.04573	1.8
193.58542	0.5
231.68648	0.5
304.85876	0.5
381.23233	0.7
423.32843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98815	1.8
62.97781	0.2
65.35619	0.2
85.59626	0.2
98.19822	0.5
99.08116	1.3
113.09540	0.2
129.09216	0.5
139.11230	0.3
141.12830	1.6
155.14359	0.6
229.12155	0.3
239.20230	0.4
241.21730	0.8
255.23134	0.3
269.21167	2.9
281.53647	0.3
285.20724	1.8
287.22229	100.0
288.22565	8.2
288.24969	0.2
329.22629	0.2
384.10928	0.2
418.82413	0.2
423.27509	14.6
424.27841	1.8
438.76550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54519	0.7
58.37745	0.7
59.01369	1.1
60.57767	0.6
61.98824	100.0
62.93009	0.6
67.01899	0.8
68.99810	1.9
70.27253	0.7
70.93731	0.8
70.94077	1.4
75.58324	0.7
88.18710	0.7
93.03472	1.6
101.02441	3.4
108.22081	0.7
111.00864	1.7
127.03995	1.8
139.00356	0.7
173.04506	4.4
184.19168	0.7
196.65877	0.6
213.15009	1.1
259.09897	0.8
291.08826	2.3
300.61414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	25.9
61.98821	100.0
64.92294	1.9
71.01376	7.7
73.00626	1.6
85.02953	2.7
89.02432	5.2
94.69682	1.7
96.95993	2.6
97.30527	1.9
101.02438	3.3
113.02410	4.0
129.89149	1.7
139.50336	1.9
159.11731	2.4
161.04497	2.7
203.10739	8.5
306.13123	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	424.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90302	0.9
58.64634	0.9
59.01359	3.8
61.98822	100.0
70.31653	2.0
71.01377	0.8
78.89201	0.8
88.20661	0.9
90.35916	0.7
96.95970	1.4
98.19968	1.0
103.50433	0.9
135.04575	1.0
159.20973	0.9
180.23495	1.0
180.80061	0.8
287.22305	2.0
288.22568	1.6
289.18063	5.8
329.08005	0.9
357.28030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50281	0.8
59.01363	3.8
59.58854	0.8
61.98821	100.0
69.67668	6.1
71.01382	1.3
85.02930	1.3
88.13134	0.9
91.67921	0.8
97.28081	0.9
101.02438	1.2
104.85327	0.8
108.56683	1.4
116.05050	10.9
123.16638	0.9
126.24469	0.9
127.38396	1.1
128.22734	0.8
142.06512	0.9
153.24915	0.8
166.05072	1.8
176.07199	1.1
194.08199	1.0
203.72034	0.9
208.09709	1.4
234.30571	1.1
295.10715	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	425.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.15287	5.6
61.98831	44.5
62.24634	5.4
71.01376	35.6
71.56643	8.3
76.79150	5.6
78.95934	6.0
79.52708	5.2
85.02948	14.4
87.00872	9.5
89.02441	32.7
94.78930	4.8
94.86218	5.1
96.95993	19.7
101.02441	27.9
113.02428	16.6
119.03452	5.1
121.20699	5.0
123.04507	7.0
134.03737	36.3
135.04440	5.8
137.02425	6.0
161.04518	16.9
179.05701	6.3
183.35081	5.9
191.05603	7.3
193.04924	31.5
227.09251	9.4
270.66592	5.9
365.18103	33.3
367.10370	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	425.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00700	0.6
50.36104	0.7
57.03411	0.7
59.01372	100.0
60.01714	1.3
61.98818	1.0
65.27761	0.7
68.42525	0.6
70.35567	1.9
70.35918	0.7
71.01381	3.1
85.02967	1.7
89.02431	1.5
95.01346	0.8
101.02477	1.9
103.01046	0.6
104.22564	0.6
113.02441	2.7
119.03495	1.4
124.32011	0.7
131.74635	0.6
143.08694	0.6
159.11784	7.3
161.04544	0.9
203.10753	54.8
204.11130	2.8
223.86676	0.6
231.13995	1.2
275.13046	0.8
332.58301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14473	1.2
53.64159	1.1
57.03444	1.9
58.00572	1.4
59.01374	42.9
61.98820	3.0
71.01373	17.8
71.61304	2.3
72.99290	2.5
73.02920	1.8
85.02930	5.9
89.02438	17.9
95.01378	2.3
99.04508	2.5
101.02440	10.9
101.03033	2.0
107.08670	2.1
111.04486	2.7
113.02431	13.9
119.03476	4.7
121.10220	1.7
135.04492	4.7
161.02467	2.9
173.04536	5.5
173.13370	2.4
175.13486	2.5
175.14903	40.0
176.15221	2.8
179.03468	5.1
179.05563	1.9
191.05592	1.4
199.14914	4.1
201.12794	8.3
217.15869	1.8
219.13864	100.0
220.14220	7.6
261.15009	2.5
263.12833	80.3
264.13336	6.3
264.15613	1.3
305.13846	2.6
310.64453	1.4
311.09555	10.0
425.17950	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	425.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28576	0.6
59.01369	3.2
61.98824	1.1
67.01879	0.8
67.59089	0.5
69.50231	2.0
69.50658	3.1
71.01366	2.0
73.90520	0.6
80.02676	4.4
81.03448	0.9
81.30460	0.6
83.05022	2.6
85.02934	3.7
87.00882	0.8
93.03444	7.1
99.04501	1.7
101.02470	0.8
106.90386	0.6
111.04523	6.3
113.02490	0.6
124.80386	0.6
127.04028	1.3
137.02411	1.3
150.96478	0.6
155.03514	6.9
160.14551	0.7
173.04520	29.9
174.04846	0.8
184.32614	0.6
189.12822	15.3
190.13191	0.8
191.05582	45.7
192.05959	1.6
207.13832	3.7
233.11823	8.5
251.12839	100.0
252.13144	6.8
297.18716	0.6
341.86035	0.7
364.94687	0.6
366.38266	0.8
374.36893	0.9
425.18088	31.5
426.18533	4.7
439.08176	0.7
448.57980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28576	0.6
59.01369	3.2
61.98824	1.1
67.01879	0.8
67.59089	0.5
69.50231	2.0
69.50658	3.1
71.01366	2.0
73.90520	0.6
80.02676	4.4
81.03448	0.9
81.30460	0.6
83.05022	2.6
85.02934	3.7
87.00882	0.8
93.03444	7.1
99.04501	1.7
101.02470	0.8
106.90386	0.6
111.04523	6.3
113.02490	0.6
124.80386	0.6
127.04028	1.3
137.02411	1.3
150.96478	0.6
155.03514	6.9
160.14551	0.7
173.04520	29.9
174.04846	0.8
184.32614	0.6
189.12822	15.3
190.13191	0.8
191.05582	45.7
192.05959	1.6
207.13832	3.7
233.11823	8.5
251.12839	100.0
252.13144	6.8
297.18716	0.6
341.86035	0.7
364.94687	0.6
366.38266	0.8
374.36893	0.9
425.18088	31.5
426.18533	4.7
439.08176	0.7
448.57980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1813
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
50.56940	1.9
51.71448	1.7
57.03431	2.6
59.01369	20.2
61.98817	16.6
63.11624	1.8
69.03446	3.6
70.46130	4.6
70.51691	1.8
71.01364	16.1
72.99265	2.3
74.29726	2.3
75.00854	2.5
78.95882	3.5
79.05517	2.3
81.03440	2.7
82.02977	2.1
83.05021	3.0
84.45904	1.9
85.02933	6.2
89.02409	8.2
93.03453	3.6
95.05004	3.5
96.96002	28.1
97.02927	7.7
97.06548	3.0
99.00887	2.3
101.02405	6.6
105.07028	3.1
107.05001	4.9
108.05801	8.6
109.02922	6.2
109.06576	4.3
111.04478	7.5
113.02457	10.2
113.06065	6.9
116.66512	2.3
119.03503	2.8
119.05012	15.4
119.08662	4.4
121.06579	4.4
122.03722	7.4
123.04501	2.5
123.08125	7.0
125.02438	4.2
125.06072	22.1
126.05554	2.6
135.04536	4.9
135.08167	3.1
136.05284	11.2
137.06056	6.5
138.06859	12.7
139.07613	35.5
140.07915	2.4
148.05309	4.9
149.05974	2.8
151.07620	57.1
152.04762	9.3
152.08444	27.3
153.05609	2.3
153.09200	15.9
157.10185	3.2
159.11807	3.5
161.02431	3.1
161.04509	2.6
161.09674	5.9
163.04015	12.7
163.07625	7.1
165.09180	2.7
167.07133	4.5
173.04527	3.5
175.02428	2.1
175.11221	13.1
179.03424	2.5
189.05537	3.3
189.09183	4.2
201.09138	4.6
201.12822	24.8
203.10632	10.2
204.03300	4.1
204.11513	32.2
205.11880	2.1
219.10234	7.9
219.13846	63.4
220.14180	5.4
228.11575	4.1
243.13805	8.6
245.08066	3.1
245.11655	10.5
263.12823	100.0
264.13184	8.2
287.12915	11.4
288.13513	2.2
305.13828	6.1
353.17551	2.0
425.18710	11.8
430.10370	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	425.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02706	0.6
57.03445	0.7
59.01374	100.0
60.01712	1.2
61.98825	1.9
62.04026	0.7
63.11141	0.7
70.97861	1.8
71.01369	18.5
73.02933	4.9
75.00875	0.9
78.95891	5.5
82.95405	6.8
83.01373	1.2
85.02936	7.1
87.00876	1.1
87.48122	0.6
89.02448	4.9
95.01389	1.0
96.96008	3.4
98.95569	0.9
99.00884	1.9
100.07571	0.7
100.76961	0.7
101.02431	12.4
102.64459	0.7
103.83352	0.6
107.09476	0.8
110.98483	1.1
113.02436	9.0
119.03527	2.0
129.01915	0.8
134.04807	0.9
143.03482	1.7
143.81665	0.7
158.92564	1.4
159.02975	2.0
161.04536	23.9
167.34203	0.8
175.02493	1.7
179.05554	1.2
191.05663	0.9
203.12881	2.0
205.03468	0.8
365.18109	27.3
366.18518	1.9
387.82779	0.8
425.20593	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	425.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86653	0.6
57.03424	0.9
57.08733	0.6
59.01373	100.0
60.01674	0.9
61.98830	5.8
62.53390	0.6
68.97614	0.6
71.01371	17.3
71.60880	0.9
72.99323	1.6
73.02938	4.8
75.00854	1.5
78.95866	0.8
81.03432	0.7
82.95431	1.2
83.01371	1.6
83.22793	0.6
85.02930	8.2
87.00872	1.5
89.02435	7.5
89.79316	0.6
95.01373	0.9
95.05094	0.6
96.95997	14.0
96.96960	0.6
99.00868	2.0
101.02431	11.8
113.02440	8.3
119.03498	2.4
134.03731	1.5
139.04053	0.7
143.03453	0.8
143.20682	0.6
151.03987	0.9
159.02994	1.6
161.04536	18.0
162.04909	0.9
165.04057	0.8
166.02718	0.7
173.04590	0.9
179.05624	1.0
191.05550	1.4
193.05077	2.2
216.04115	0.6
338.57440	0.7
360.52585	0.6
365.13525	1.1
365.18109	21.3
366.18674	1.8
425.15524	0.9
425.20334	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	425.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17330	1.0
55.01886	1.3
57.03433	1.8
59.01373	87.4
61.98817	6.0
70.61079	2.0
70.61395	2.3
71.01369	36.6
72.99310	2.7
73.02927	8.3
75.00864	34.3
78.95887	2.2
83.01385	5.6
85.02927	11.2
87.00884	1.3
87.04499	1.7
88.98803	1.6
89.02432	22.2
95.01363	2.2
96.96017	9.7
96.96953	1.2
97.02976	1.4
97.06589	1.4
99.00880	3.0
99.04542	2.3
100.00404	2.6
101.02433	30.7
113.02430	14.7
119.03468	7.6
125.02439	1.5
131.03534	1.4
143.03508	1.8
144.03014	3.8
159.02957	3.6
161.04521	21.0
162.04997	1.3
179.05617	4.4
203.12860	9.1
261.77124	1.3
264.77963	1.2
305.79166	1.2
365.18100	100.0
366.18500	8.9
396.92441	1.4
403.59717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	99.1
61.98831	2.2
67.90067	1.3
69.99783	5.1
70.52185	1.2
71.01373	25.1
72.99308	1.1
73.02947	5.2
75.00845	1.0
78.95884	1.7
82.95426	1.0
83.01396	3.4
85.02946	8.3
87.00855	2.3
89.02433	16.7
95.01417	1.3
99.00871	3.1
101.02428	23.4
113.02438	9.8
119.03475	5.7
129.63417	1.1
132.39165	1.2
143.03407	1.6
154.65823	1.1
158.96655	1.1
159.02956	1.7
161.04514	12.3
179.05585	3.0
203.12840	2.0
218.84175	1.2
250.70645	1.3
254.84930	1.2
282.59058	1.1
365.18088	100.0
366.18521	7.7
391.65143	1.1
426.49393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90614	0.6
59.01373	100.0
60.99300	1.0
61.98817	1.0
69.80966	0.7
70.13551	0.6
71.01389	0.7
78.95924	1.3
98.20622	1.7
101.02441	0.8
102.08172	0.7
119.33176	0.7
165.12773	0.7
192.81326	0.6
195.13872	1.3
211.13358	1.7
213.14917	0.9
291.19638	3.5
309.21097	0.6
335.18286	0.7
335.22198	1.0
377.28366	1.0
393.31784	1.6
423.32703	4.4
425.29312	4.5
425.34546	4.3
426.34732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01722	1.1
61.98828	1.0
66.91676	0.5
69.69975	0.7
69.70377	2.4
71.01364	0.8
74.37932	0.4
75.00868	0.4
88.97515	0.4
92.92797	1.9
96.95997	0.9
103.96821	0.4
112.98565	0.6
115.00431	0.5
164.56738	0.4
166.59009	0.5
182.88045	0.5
231.58412	0.5
252.73636	0.5
291.19638	2.8
309.20798	0.6
407.33606	0.5
429.17352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.2
59.01370	10.3
59.53134	2.0
61.29884	2.4
61.98819	4.6
68.99797	3.2
71.01376	28.7
71.62188	2.6
75.00853	5.8
83.01388	3.7
89.02429	6.5
99.00864	27.1
101.02432	19.9
102.76212	1.8
110.69122	1.9
112.95998	2.0
119.03476	5.0
129.01909	3.3
141.09171	9.2
147.02975	100.0
148.03253	3.2
163.11218	7.6
174.83955	2.0
191.10764	2.6
219.67305	1.9
221.19041	4.5
238.17641	1.9
261.99756	2.1
265.18042	2.7
277.21677	99.5
278.21973	10.2
283.19046	2.9
425.25461	15.2
425.29669	6.4
426.25565	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	425.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52443	0.6
56.18079	0.6
61.71153	0.6
62.04981	0.6
64.89309	0.6
64.97040	0.7
70.11137	2.3
74.92693	0.6
79.95726	10.1
80.96494	1.0
95.95220	1.2
96.95999	70.5
122.97567	3.7
167.00038	0.7
197.73955	0.8
206.16252	1.5
315.41263	0.6
328.20883	0.7
402.64502	0.7
425.25726	100.0
426.26074	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	425.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.3
59.01370	1.6
70.02475	0.6
70.02873	0.6
80.93760	0.3
84.72699	0.3
96.95979	0.5
103.87325	0.3
121.34702	0.3
127.49660	0.3
130.17453	0.3
167.14499	0.4
177.12764	0.8
183.13875	9.8
184.14212	0.6
193.12302	1.3
195.13875	24.4
196.14220	1.4
205.12370	0.3
205.56499	0.3
211.13358	31.9
212.13640	1.9
213.14934	9.2
214.15265	0.6
223.13364	0.7
274.23938	0.3
309.20462	0.4
315.26862	3.4
316.27145	0.4
327.26831	0.4
333.28149	0.5
335.93787	0.3
341.24652	0.6
345.27649	0.4
359.25977	3.0
377.26959	3.9
378.27271	0.5
389.26929	0.6
395.27768	0.9
407.27948	1.7
425.29034	100.0
426.29379	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	425.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32952	0.3
57.03432	0.6
59.01378	2.0
60.99306	0.3
69.51311	1.3
69.51734	1.1
71.01387	0.3
78.95905	0.5
83.05000	0.4
85.02930	0.3
88.98775	1.6
89.02441	0.5
110.76649	0.3
111.00875	0.4
128.75946	0.3
144.84904	0.4
155.10745	0.4
157.82829	0.3
167.14301	0.4
171.10229	0.4
177.12820	1.0
183.13887	10.5
184.14195	0.9
193.12308	1.6
195.13879	26.0
196.14165	1.1
205.12274	0.4
211.13365	34.5
212.13773	2.2
213.14941	9.4
214.15302	0.6
223.13326	1.8
315.26859	3.3
315.46762	0.4
317.21115	0.4
333.20435	0.9
333.27963	0.6
335.22165	3.8
336.22668	0.6
341.24902	0.9
359.26019	2.7
377.26868	3.0
379.20532	0.6
389.27393	0.8
395.27951	1.1
407.28113	0.9
408.28378	0.4
425.29037	100.0
426.29376	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	427.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06060	9.9
59.01368	82.6
71.01368	35.9
71.05013	37.6
71.61257	17.0
76.01998	10.4
87.00854	12.4
89.02441	27.2
99.47755	10.5
101.02450	15.8
113.02471	16.2
139.44092	10.6
154.46130	9.7
161.09659	29.0
175.17139	13.2
177.12865	26.6
178.30203	12.1
203.10782	12.9
221.11781	26.1
246.44743	13.0
250.13420	13.3
265.10788	100.0
266.11209	12.6
268.19055	11.3
427.92743	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	427.1602
Annotation	Hyuganoside V
Peak:m/z	Relative Intensity
57.03443	3.1
58.00594	3.0
59.01374	100.0
61.98821	12.2
62.63054	1.9
70.98252	5.2
71.01378	36.9
71.05010	61.1
72.99312	2.4
73.02971	2.8
78.91866	18.3
78.95888	16.0
79.05518	4.6
81.07052	2.2
83.01369	3.7
83.05039	3.5
85.02948	8.4
85.06593	2.3
85.75081	2.1
87.00842	3.0
89.02431	34.4
93.03480	2.3
95.04986	4.1
96.95996	3.3
96.96938	3.0
97.06570	8.7
101.02427	26.1
107.05019	9.1
109.06570	18.6
109.09621	2.1
113.02439	23.4
113.79276	2.2
119.03479	14.1
119.05003	3.6
121.06578	4.4
125.06074	12.3
135.04494	3.0
143.03520	2.6
143.08636	6.1
146.07341	3.6
159.08145	4.8
159.11781	5.6
161.09685	24.9
175.11198	3.5
177.12819	44.5
178.13344	2.5
179.05678	5.9
185.09758	3.7
187.07477	2.7
199.09656	6.4
201.55818	2.5
203.10741	34.5
204.11066	2.9
205.08693	15.2
213.11305	3.7
221.11790	57.6
222.11943	4.4
245.11777	6.4
247.05444	3.6
247.09712	3.9
251.66714	2.6
263.12857	2.5
265.10779	95.7
266.10995	6.5
323.10840	2.6
427.16483	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	427.1966
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
54.01549	0.3
55.01864	0.6
57.03447	0.7
59.01372	3.7
59.98496	0.7
65.95741	0.3
71.01362	1.9
71.12424	0.5
71.12761	0.5
71.13698	0.3
73.02934	3.1
75.00853	0.7
76.23777	0.3
83.05035	0.4
85.02937	2.0
87.00850	0.4
87.04501	1.3
89.02459	0.8
93.03436	0.7
95.01385	0.4
99.04505	19.5
100.04849	0.5
101.02428	1.7
111.04513	0.4
111.17889	0.3
113.02444	3.0
131.03543	0.3
135.04504	1.0
135.08136	0.6
145.73503	0.3
161.02394	0.8
161.04518	0.9
164.36755	0.3
173.04538	2.4
177.16573	0.4
179.03464	1.0
180.05772	0.4
191.14539	0.4
193.04027	0.3
203.14388	2.4
221.15443	32.8
222.15797	2.3
247.13361	1.2
253.14401	0.4
263.16449	0.5
265.14404	100.0
266.14737	7.0
266.17407	0.6
279.15881	1.2
307.15451	5.8
311.09598	0.8
311.59595	0.8
314.24597	0.4
391.03482	0.4
427.19705	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	427.1968
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
52.39205	0.4
52.59484	0.3
57.03461	0.4
59.01371	3.1
60.11886	0.4
63.69207	0.3
71.01365	1.7
71.11951	0.6
71.49004	0.4
73.02938	3.0
83.05027	0.5
84.93333	0.3
85.02936	1.5
87.04504	1.0
89.02425	0.8
90.25025	0.4
93.03437	0.5
95.01385	0.6
99.04507	19.3
99.90437	0.4
100.89613	0.4
101.02464	0.8
111.04485	0.7
113.02452	2.8
125.38938	0.3
135.04488	0.4
135.08083	0.4
146.35011	0.4
161.02357	0.7
161.04543	0.4
173.04526	1.6
179.03467	0.9
188.18710	0.4
203.14371	2.1
221.15442	30.1
222.15797	2.2
247.13368	1.6
263.16556	0.5
265.14404	100.0
266.14709	8.0
279.15982	1.0
307.15460	6.3
311.09439	0.4
427.19315	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09798	0.6
59.01371	100.0
60.01720	0.6
61.98818	0.9
69.38906	3.8
165.57681	0.5
221.50531	0.7
293.21252	7.0
330.05652	2.4
367.13660	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	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
59.38839	0.5
60.01726	0.8
61.98824	0.9
62.45226	0.5
67.24572	0.5
69.29979	3.2
69.30403	1.4
87.61027	0.5
96.95992	1.3
98.19840	1.0
102.10436	0.5
138.01874	0.4
157.08713	0.6
171.84058	0.5
204.80844	0.7
289.18253	1.5
293.21136	6.0
403.32776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84830	0.6
59.01370	100.0
60.01703	0.7
71.06368	1.1
89.02440	0.7
91.03985	4.2
95.96072	0.5
96.94662	0.6
130.72964	0.7
137.61349	0.5
145.17259	0.5
149.68713	0.5
160.46553	0.6
267.17804	0.5
275.20084	1.2
293.21182	13.9
294.21487	1.3
330.36816	0.6
395.00174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1706
Annotation	periglaucine D
Peak:m/z	Relative Intensity
51.15273	0.3
51.51220	0.3
59.01371	100.0
60.01706	1.5
63.54860	0.3
69.81223	1.5
69.81639	0.5
71.01381	0.4
72.02423	0.4
81.03449	0.3
84.04527	1.4
85.02952	0.9
98.88400	0.3
102.05590	4.2
104.05052	0.6
106.04229	1.1
106.24720	0.4
118.06641	0.5
119.05006	2.7
120.08132	0.5
133.02895	0.4
134.06146	0.4
135.04507	1.0
137.06065	40.5
138.06415	1.4
144.04524	0.5
146.06097	12.7
147.04526	1.3
147.06445	0.4
148.04027	1.5
162.05676	0.5
172.04045	0.6
172.07657	0.9
178.05051	0.5
178.08694	7.3
179.03476	0.4
179.07053	2.2
186.09343	0.4
188.10751	1.7
190.05057	6.6
190.08731	0.5
205.05101	1.0
216.06587	1.0
220.13469	0.5
222.07556	1.8
232.09763	3.5
246.11298	0.9
248.09178	1.5
248.62759	0.3
254.63208	0.4
264.12305	0.8
276.08768	1.2
290.10349	0.8
308.11340	7.1
309.11603	0.4
310.10812	3.6
311.10971	0.5
311.59521	0.5
342.13321	0.8
396.14392	1.0
398.22992	0.5
401.28036	0.4
428.17044	50.8
429.17422	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	428.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
61.98825	100.0
71.01380	2.0
71.61038	0.7
73.02965	0.5
78.91906	0.5
78.95897	2.5
85.02928	0.7
87.00879	1.3
88.98849	0.6
89.02431	1.6
89.23580	0.4
90.83005	0.4
101.02444	1.1
113.02443	0.8
115.00364	0.8
122.49676	0.5
135.04494	0.6
141.29129	0.4
174.23969	0.4
175.02437	2.9
204.50331	0.5
258.54657	0.4
368.19128	1.2
429.14871	0.6
447.21826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59671	0.6
55.83813	0.5
58.89280	0.5
59.01367	5.1
61.98822	100.0
69.53171	3.5
70.33974	0.4
71.01377	1.2
78.95905	1.6
88.04050	0.5
89.02446	0.8
101.02467	1.1
135.04510	0.6
141.31161	0.5
144.17740	0.5
161.02489	0.6
185.11736	0.6
207.06514	0.9
228.99069	0.5
294.26120	0.5
314.12637	0.5
318.50037	0.6
347.17072	1.5
365.18030	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	429.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	14.6
67.01872	9.9
68.99815	17.3
69.02876	2.0
69.03436	7.3
70.62775	2.8
70.63103	5.9
74.14342	2.0
75.02560	2.5
81.03438	3.2
83.05006	11.4
85.02914	2.5
93.03446	72.0
95.01382	5.4
96.72674	2.6
96.91790	2.2
101.02438	23.2
107.04995	3.4
111.00863	51.0
111.04506	83.3
112.04824	3.5
113.02416	7.5
119.04984	9.6
121.02908	7.4
123.04448	3.1
127.03982	13.4
135.04494	4.5
137.02425	24.9
137.06032	7.9
139.00351	31.8
151.03932	4.2
155.03517	2.7
161.02411	2.1
163.03952	7.4
165.01842	5.4
165.05536	3.5
179.03423	5.0
181.05042	33.1
207.02890	2.3
211.05968	2.5
257.06390	2.2
273.07626	100.0
274.07974	7.7
275.05573	21.6
291.08673	3.2
307.08148	41.6
343.08087	7.4
357.38007	2.3
361.09161	13.0
375.10794	3.7
393.11728	17.6
441.59540	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	429.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
59.01374	25.9
61.98819	4.8
69.51947	8.3
71.01373	25.1
72.99288	6.0
74.99102	4.9
75.00858	9.2
78.95925	1.1
83.01389	1.9
85.02937	21.4
87.00867	8.2
88.98796	1.3
89.02435	12.1
93.03456	1.7
95.01371	5.8
96.95996	3.4
98.19880	2.5
99.00890	6.6
101.02435	3.1
103.00352	3.2
113.02437	32.4
115.00365	1.6
117.01919	2.3
117.03457	1.5
118.98076	38.2
119.03497	2.1
125.63451	1.2
129.01927	2.4
133.02966	6.8
135.04504	23.3
136.04845	1.6
140.03026	1.0
151.03975	2.5
161.02431	24.3
162.03012	1.3
167.01743	1.7
177.05609	3.0
179.03535	7.1
190.06320	2.6
191.05547	4.7
193.03419	1.4
204.04230	5.8
205.08710	5.5
217.08664	1.6
219.06584	3.8
249.07802	3.2
259.65631	1.4
267.07166	100.0
268.07501	5.2
309.09714	4.9
354.86734	1.2
393.11926	1.3
398.48068	1.2
429.10071	31.9
430.10724	2.6
438.32254	1.1
441.22397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79605	1.2
55.74413	1.0
56.96016	1.2
57.03414	1.1
59.01375	29.1
61.98827	5.7
71.01382	3.9
71.08952	2.0
78.95892	1.2
85.02930	1.4
89.02431	4.3
96.96003	100.0
101.02411	3.1
106.08588	1.1
113.02472	2.3
120.21256	1.3
125.09662	1.4
135.04501	2.4
137.06071	1.5
147.71716	1.2
166.86751	1.0
179.03532	1.5
179.05576	1.3
259.09570	1.1
291.08527	1.2
297.86563	1.4
450.78256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44489	0.9
59.01374	100.0
60.01704	1.7
67.01900	1.0
70.39344	3.5
71.01389	2.2
86.98895	1.0
89.02441	1.4
101.02419	2.6
113.02501	1.8
116.92858	1.0
127.03984	1.8
135.04593	1.8
137.06021	1.2
141.79443	0.9
153.80110	0.9
160.07658	1.1
161.02417	1.1
174.01654	2.8
179.03525	1.6
227.46390	0.9
232.51208	1.0
291.08646	2.3
312.03171	1.0
429.17313	1.2
430.15015	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	429.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.98802	7.4
67.01873	17.5
68.99818	7.7
70.61489	19.1
71.01362	7.5
79.29848	6.6
95.04974	7.3
99.04507	7.3
101.02415	27.0
115.80974	6.2
125.33225	5.9
127.04019	30.5
137.06075	9.7
138.06516	7.1
148.74026	6.1
179.03378	6.3
291.08759	33.6
355.59204	5.7
429.17422	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	429.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11639	2.6
59.01372	44.2
60.99297	3.8
66.45653	2.2
68.18881	2.3
69.30156	2.2
69.47440	18.1
70.52264	2.2
71.01382	3.1
73.02925	5.6
86.13514	2.7
88.30168	2.4
89.02414	3.3
93.03436	2.5
95.04977	2.7
98.19843	2.8
101.02457	3.2
106.13699	3.0
119.05032	3.0
121.02891	3.5
130.04280	3.0
130.06656	3.0
137.06111	12.3
137.07004	2.6
144.04501	3.5
144.08173	7.3
145.06566	4.7
146.06110	5.7
147.04497	3.8
148.04016	6.5
149.06021	4.1
160.07634	6.9
162.06860	4.8
163.06285	2.7
163.07587	6.1
170.06119	3.7
172.07658	30.4
173.04539	6.9
176.07178	4.6
177.05534	8.3
177.09166	4.9
180.78717	2.4
181.07176	2.6
192.10301	3.9
204.10268	86.8
218.08199	11.0
221.15433	24.7
230.08133	2.9
248.09232	100.0
265.14355	5.3
266.10269	10.9
349.05185	2.5
368.14993	4.5
400.13925	8.3
429.21115	8.2
430.15018	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90713	11.3
55.50865	12.6
59.01366	59.9
59.83447	12.6
61.98821	11.8
68.79121	14.5
69.03473	17.5
69.24489	65.6
69.24915	60.3
71.01377	27.8
78.73986	12.7
89.02425	12.0
89.38570	10.2
101.02404	12.0
111.00869	12.5
119.05014	13.9
133.02914	20.6
135.04504	31.7
137.06065	100.0
161.02428	41.0
161.04529	11.4
179.03471	32.2
207.02888	39.9
222.05304	23.1
237.07579	25.4
259.09836	13.0
291.08725	20.6
313.83499	12.7
413.11536	78.2
413.61792	23.3
454.39975	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	429.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01374	100.0
60.01703	1.7
61.98830	2.9
63.99539	1.2
67.01873	1.5
68.39637	1.1
69.03432	2.8
71.01373	13.3
71.60859	1.6
72.99283	1.3
73.02951	4.0
85.02947	4.0
86.30389	1.4
87.04515	1.7
89.02444	9.7
91.31570	1.2
93.03439	1.4
94.02971	1.4
99.04512	1.7
101.02422	8.5
107.76958	1.2
113.02400	7.0
119.03474	2.8
119.04948	1.2
120.04540	2.0
121.02930	2.6
123.04459	1.7
126.05521	2.8
129.83929	1.2
130.52692	1.1
135.04492	6.0
136.04813	2.0
137.06052	7.3
137.09669	1.8
142.75014	1.2
146.06053	2.7
154.27786	1.3
161.02417	2.5
161.04544	2.1
162.87349	1.1
164.07076	1.7
173.04590	2.3
174.05574	1.7
174.09160	2.0
178.05060	8.6
179.03459	4.0
186.67889	1.3
203.74266	1.2
207.13983	1.7
223.13416	2.3
223.16983	25.4
249.14807	1.8
250.10652	1.5
265.14447	2.3
266.10245	1.7
267.12854	2.5
267.15979	41.3
268.12015	1.4
268.16269	1.9
270.61444	1.2
291.08670	2.1
309.17136	2.6
311.59689	2.9
312.09753	4.0
312.60074	2.8
361.13254	1.2
390.12057	1.2
390.49417	1.3
429.25455	7.2
430.15024	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	429.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00616	5.2
59.01377	82.5
61.46723	3.9
61.98828	8.5
63.23087	4.0
69.72032	13.0
69.72435	13.0
71.01379	31.6
78.95896	22.9
80.91676	9.2
81.83677	4.3
85.02946	8.6
89.02443	42.4
90.70803	3.6
96.96002	100.0
96.96932	40.2
101.02422	19.0
101.06051	5.7
113.02442	18.3
115.07664	5.5
119.03524	19.8
161.13359	13.5
179.05591	4.9
185.00401	4.6
187.11198	4.3
205.12294	36.9
223.13350	10.0
249.11356	32.4
267.12305	8.3
393.17813	9.2
429.15186	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.0
58.83973	1.2
59.01374	24.5
61.98831	4.9
64.72897	1.7
68.99562	5.2
69.76146	2.0
69.76559	5.5
71.01371	30.2
72.99317	1.4
73.02948	14.5
75.00864	1.5
78.95899	3.4
83.01380	4.6
85.02940	15.1
87.00883	4.3
87.04548	1.4
89.02425	10.5
95.01382	1.7
96.96009	7.3
96.96947	6.0
97.02953	2.8
98.19778	1.5
99.00886	5.6
101.02435	31.3
103.03979	6.5
112.98569	5.6
113.02428	14.4
118.98077	3.6
119.03517	2.4
125.02464	2.6
130.08704	2.5
131.03447	2.0
143.03516	1.8
147.25055	1.4
149.04536	2.5
159.03014	2.8
160.33420	1.2
161.04520	17.8
189.05550	2.2
190.06335	2.1
190.81813	1.3
191.05589	1.8
203.97211	1.2
204.04369	2.6
233.06726	1.6
237.09785	31.6
249.07646	1.8
267.07184	2.7
325.11203	1.9
355.47217	1.3
369.13947	100.0
370.14462	9.2
409.69565	1.4
435.49835	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	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54495	1.6
58.00589	2.7
59.01372	100.0
62.90921	1.5
69.24094	1.9
69.24236	2.8
69.24675	11.6
69.24874	2.5
69.24982	2.2
71.01373	44.1
72.99323	3.0
73.02957	2.0
74.76000	1.7
81.07076	2.3
85.02950	8.4
87.00887	3.0
89.02435	75.7
95.01376	2.0
99.04518	7.4
101.02439	27.6
107.05041	1.9
107.58674	1.7
111.04521	1.8
113.02438	19.4
114.15195	1.5
114.25128	1.5
119.03486	31.5
119.04300	2.4
143.03462	5.2
149.04550	2.2
161.04523	5.1
161.13351	30.5
162.13632	1.8
175.46689	1.8
179.05589	12.8
187.11269	6.2
201.34033	1.8
205.12312	67.2
206.12617	3.2
223.13409	11.7
242.04466	1.9
248.77182	1.6
249.11269	97.2
250.11565	10.6
260.24683	1.9
267.12332	22.9
319.33795	1.8
372.22064	1.8
385.18427	2.7
429.11771	2.2
429.17535	30.7
430.17865	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03447	1.2
58.00583	2.5
59.01374	100.0
67.01920	0.9
69.03462	0.8
69.38895	6.0
71.01375	36.3
72.99306	1.8
73.02943	1.4
81.07117	1.3
83.01401	2.1
83.05009	0.9
85.02943	6.4
87.00885	2.0
89.02434	43.8
91.01881	0.9
93.03471	3.2
95.01405	2.4
99.00873	0.7
99.04502	5.8
101.02432	21.3
101.03059	1.3
101.58087	0.7
109.02925	4.5
111.00890	1.9
111.04524	3.2
112.23402	0.8
113.02441	13.9
113.03220	0.8
117.00157	1.9
118.07252	0.7
119.03490	18.7
119.04287	1.3
127.04043	0.7
131.03522	2.2
135.00912	2.3
135.04567	0.8
137.02399	1.5
137.09711	1.1
139.00407	0.9
143.03468	4.2
149.04550	1.0
153.01935	14.9
161.04573	2.7
161.13332	10.9
166.40039	0.7
179.05573	7.5
187.11305	2.1
205.12303	32.5
206.12721	1.4
249.11275	41.6
250.11746	2.4
255.16022	1.0
273.07693	3.8
307.08514	1.2
385.18680	0.8
429.11789	1.0
429.17166	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	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	2.0
59.01373	100.0
61.98818	2.6
62.11965	2.0
67.01902	2.3
68.99824	3.2
69.03418	1.6
71.01376	52.4
71.62748	3.3
72.99329	4.1
73.02952	2.4
83.01398	2.1
83.05000	2.2
85.02946	10.4
87.00861	4.2
89.02434	64.6
93.03445	17.1
95.01366	4.5
99.04513	7.5
101.02433	31.9
111.00903	10.1
111.04510	20.9
113.02438	21.3
114.83698	2.0
119.03493	24.7
119.04967	3.4
127.04000	2.2
128.97020	1.8
131.03503	2.9
135.04529	2.2
137.02434	7.8
137.06067	2.5
139.00363	7.1
143.03477	5.6
150.31764	1.8
151.03911	2.0
161.04570	4.3
161.13370	20.1
165.01840	2.0
179.05571	11.5
181.05090	4.4
187.11205	3.9
205.12297	65.2
206.12639	3.3
217.14272	2.0
249.11279	81.6
250.11617	4.8
273.07666	20.7
275.05676	4.0
307.08118	6.1
320.16138	1.8
361.09393	2.4
393.11905	4.3
429.17429	21.5
430.17819	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84443	0.2
59.01370	0.8
61.98801	0.2
69.52170	0.7
69.52597	1.0
80.62432	0.2
87.00849	0.3
99.00864	0.9
99.92570	5.4
100.93347	3.6
115.92061	100.0
116.92067	4.4
116.92849	6.6
117.03454	1.7
119.05014	0.3
119.08995	0.2
121.02924	0.4
127.38738	0.2
132.92317	0.8
142.94356	0.2
144.58792	0.2
145.02939	2.7
172.95416	5.5
192.90546	0.2
240.92940	0.2
255.23259	0.7
282.62381	0.3
308.45547	0.2
355.15869	0.8
381.17426	0.8
429.19547	4.7
429.29916	5.1
430.19650	0.9
430.30356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
59.01373	100.0
69.30436	9.8
69.30796	1.4
70.14157	1.1
71.01375	14.2
73.02915	1.4
79.95991	1.0
82.35935	1.0
83.01379	2.7
83.05027	1.0
85.02946	3.0
87.00887	5.7
89.02432	10.2
91.46300	1.0
95.01445	1.2
95.13869	1.0
97.06554	2.0
101.02442	6.6
107.05017	6.3
113.02448	5.5
119.03489	3.1
120.05799	2.5
135.04509	2.3
161.04504	3.7
161.09689	9.8
161.13316	4.5
163.11185	2.4
176.89438	1.0
179.05557	1.2
187.11285	11.3
189.09157	4.0
205.12285	4.6
207.10286	2.5
223.13350	52.7
224.13689	3.5
229.12346	1.4
249.11240	7.1
267.12326	67.2
268.12622	5.6
327.69693	0.9
429.17563	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	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33348	0.8
57.01554	0.7
59.01373	100.0
59.46494	0.6
60.01706	1.6
61.98833	1.7
69.74021	4.0
69.74368	1.2
71.01372	6.1
71.50768	0.8
73.02962	1.0
74.59787	0.7
85.02959	1.9
85.22767	0.7
89.02454	2.1
90.30542	0.7
101.02447	3.1
113.02464	2.5
128.40955	0.7
137.06116	0.9
140.34343	0.8
140.44887	0.7
143.03510	0.7
152.07408	0.7
159.02965	0.9
161.04533	6.9
163.11269	1.3
165.12830	9.6
173.04536	1.6
179.38872	0.6
189.12860	2.6
207.13857	11.4
208.14259	0.8
255.16174	1.0
267.12341	0.8
369.19260	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99804	0.4
57.03440	4.6
59.01372	100.0
60.01702	0.6
69.03436	0.6
69.88496	0.7
69.88896	0.9
71.01376	8.1
72.57115	0.3
73.02940	1.8
73.62041	0.3
83.01400	0.6
85.02931	2.9
87.00905	0.4
89.02437	3.1
95.01373	0.5
97.02991	0.5
98.20636	0.4
99.00867	0.7
101.02419	4.6
107.04340	0.3
109.06561	0.6
113.02431	4.4
119.03507	1.3
137.09746	1.1
143.03561	0.7
147.79974	0.3
149.81848	0.3
159.02994	1.2
161.04530	9.4
161.13310	0.5
166.26573	0.3
168.60387	0.3
192.11537	2.6
205.12358	1.7
207.13866	22.6
208.14281	1.1
223.13441	0.7
249.11272	2.8
267.12369	1.1
353.98560	0.4
358.74841	0.4
429.16776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74150	0.3
57.03436	0.8
58.00587	0.9
59.01372	100.0
60.01710	1.0
62.66108	0.3
67.55928	0.4
69.57442	2.6
71.01372	18.9
72.99300	0.8
73.02929	0.8
74.72241	0.4
76.46046	0.4
83.01398	0.9
85.02944	2.5
87.00861	2.2
89.02436	26.6
95.01385	1.4
97.06599	0.5
99.04502	1.0
101.02429	9.4
107.05040	0.6
113.02436	7.5
119.03478	9.7
131.03505	1.2
135.04533	0.5
143.03464	1.9
149.04565	1.2
161.04532	2.1
161.09740	1.4
161.13353	2.4
179.05597	6.3
187.11211	2.7
205.12286	3.4
207.10161	0.9
223.13356	8.4
224.13788	0.7
244.25693	0.4
249.11263	11.1
249.13626	0.7
250.11700	0.8
260.50113	0.4
267.12347	10.6
268.12802	0.6
295.95990	0.5
339.14462	0.6
347.67209	0.5
369.15436	2.0
429.17255	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03443	0.6
58.00579	1.1
59.01373	100.0
60.01701	1.0
65.03953	0.9
67.01894	0.8
68.99805	0.5
69.03439	0.7
69.38055	1.3
69.38482	1.7
71.01376	19.7
72.99319	1.2
73.02936	2.5
81.07087	0.4
81.78960	0.3
85.02943	4.2
87.00881	0.6
89.02435	23.9
90.02782	0.4
93.03458	3.9
94.82373	0.3
95.01371	1.7
98.20617	0.7
99.00867	0.7
99.04533	1.6
101.02434	10.9
101.03076	0.7
109.02944	5.5
111.00867	2.8
111.04498	3.5
113.02438	8.3
117.00169	3.4
119.03491	10.2
127.04021	0.7
131.03497	1.6
135.00868	3.2
135.04517	1.4
137.02437	1.3
137.09723	2.1
139.00378	1.6
143.03453	2.2
149.02461	0.7
149.04523	0.8
151.04033	0.4
153.01924	16.0
161.04599	3.0
161.13383	4.0
165.05670	0.4
173.04561	1.4
179.03433	0.5
179.03970	0.6
179.05598	6.0
181.05049	0.8
205.01683	2.0
205.12305	8.8
206.12691	0.7
249.11298	10.3
250.11586	0.8
255.15981	1.1
273.07678	4.8
274.07916	0.4
275.05557	1.1
307.08170	2.1
343.08420	0.7
375.10559	0.4
393.11942	0.7
396.51892	0.4
429.10428	0.4
429.17554	1.3
447.15274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
58.00598	0.7
59.01371	100.0
69.68036	2.2
69.68459	1.9
71.01372	17.9
72.99301	0.9
73.02944	1.3
80.48911	0.7
83.01391	1.6
84.94548	0.6
85.02957	3.6
87.00887	2.1
89.02433	21.4
95.01398	0.9
97.06613	1.2
101.02425	8.5
107.05019	5.3
113.02433	8.4
119.03485	7.4
120.05852	1.3
131.03459	1.1
135.04510	1.0
143.03510	1.3
149.04515	0.8
161.04637	1.8
161.09706	4.3
161.13362	1.8
163.11290	1.2
179.05597	5.3
187.11281	6.6
189.09261	1.8
203.10725	0.8
205.12346	3.0
207.10228	2.2
207.13910	1.8
223.13358	28.1
224.13762	2.7
233.28519	0.6
234.07721	1.9
246.18851	0.6
249.11247	3.9
266.10397	0.8
267.12329	32.0
268.12793	2.7
309.13358	1.0
429.17606	2.8
430.17886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64327	1.2
54.00690	1.1
59.01372	92.7
69.48243	10.0
81.46234	1.1
96.18576	1.3
98.19892	2.6
100.68314	1.3
107.08650	8.5
119.08627	11.6
125.09674	2.6
152.88277	1.2
171.08754	2.6
171.10239	53.6
172.10556	1.7
183.10222	2.1
185.11757	4.7
229.19481	7.6
244.86302	1.4
247.16876	1.4
261.18549	9.6
273.18564	28.5
274.18863	2.9
277.21851	2.3
279.19568	5.4
291.16498	1.7
291.19629	36.3
292.19977	2.6
295.22708	8.4
309.20685	100.0
310.21054	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	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01713	1.0
61.98820	2.6
68.99569	0.5
69.64824	2.1
71.01392	0.5
73.78140	0.3
89.02480	0.9
91.04042	0.6
96.96004	6.3
101.02403	0.4
112.98579	1.1
135.04509	0.6
152.99709	0.4
171.10274	1.4
230.65248	0.3
232.39021	0.3
272.21078	0.4
277.21597	1.7
295.12003	0.4
295.22763	7.2
296.23102	0.8
309.20676	0.8
369.13446	0.6
411.11652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00911	0.5
59.01372	100.0
60.01686	0.8
70.20537	1.8
91.04003	1.4
107.08667	1.5
119.08655	1.5
123.71230	0.5
152.63141	0.6
171.10239	7.3
173.03532	0.6
176.09059	0.5
195.13980	0.6
229.19632	1.3
261.18533	0.9
273.18564	4.8
277.21701	1.5
279.19513	0.9
291.16461	0.9
291.19601	5.1
295.22760	9.7
296.23251	0.9
307.61377	0.5
308.09015	0.5
309.20673	17.8
310.20987	1.2
426.12952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01716	1.0
60.84918	0.3
61.98821	0.5
69.28841	2.8
71.01369	0.4
73.01646	0.3
84.55761	0.3
89.02448	0.7
91.04008	2.6
94.55891	0.3
96.96008	0.5
134.09157	0.4
142.07628	0.4
183.36519	0.4
195.13965	1.2
277.21899	1.1
287.84943	0.4
295.22751	12.5
296.23291	1.2
326.59006	0.4
338.40338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3001
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
59.01371	13.7
60.01118	1.4
61.98816	3.9
67.60867	1.3
71.62444	1.9
78.95930	1.6
83.19032	1.4
111.28760	1.4
169.27495	1.5
188.74908	1.6
222.63695	1.6
301.37146	1.4
339.26837	2.2
355.30060	1.7
385.31201	2.1
401.30539	2.5
429.30075	100.0
430.30243	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	430.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.4
59.01376	6.0
59.07291	1.1
59.49010	1.0
61.98823	26.3
67.01878	3.7
69.03402	1.2
69.53474	4.4
69.53908	3.4
71.01367	5.3
87.00874	2.4
89.02463	1.0
93.03450	23.3
93.90391	1.0
98.20586	1.7
101.02409	1.3
109.02905	1.4
111.00755	1.1
111.04516	4.1
113.02427	1.3
134.03723	15.9
137.02419	5.3
149.06081	1.8
155.03510	3.7
173.04524	100.0
174.04874	3.7
191.05562	12.9
193.05034	16.1
367.10269	26.4
367.14355	0.7
368.10507	1.9
447.98105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15726	2.1
59.01374	14.5
60.99286	1.8
61.98824	91.1
62.09357	1.7
63.00641	1.7
64.77428	2.0
67.01883	4.3
69.10334	1.6
71.01369	5.2
71.18209	3.6
72.23525	1.6
85.02956	6.3
87.00864	7.4
88.04047	2.1
92.05056	5.9
93.03445	28.0
96.95988	6.4
101.02439	4.5
109.02915	2.0
111.04495	4.8
113.02436	2.7
119.03472	2.1
129.01984	2.1
130.45335	1.6
134.03735	11.8
136.04041	10.3
137.02359	3.8
138.49316	1.8
148.84152	1.5
153.09151	4.5
155.03467	2.1
161.04483	3.1
173.04497	36.3
175.04062	2.6
191.05582	100.0
192.05875	2.9
193.04968	10.4
198.73550	1.7
207.06630	3.2
222.41635	1.8
223.13394	2.8
310.93134	2.1
367.10236	32.7
385.18506	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	430.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	35.6
60.01698	0.9
60.99303	7.4
61.52124	0.7
61.98821	2.2
66.03481	0.8
67.01885	3.3
68.01412	1.6
68.99808	0.9
69.03444	2.5
70.57803	2.1
71.01363	1.5
73.02946	1.2
84.75256	0.7
89.02420	1.0
93.03449	1.2
94.02972	0.8
95.05013	2.1
101.02425	1.8
104.05042	1.0
107.05003	0.7
113.02424	1.2
117.07087	0.9
119.04993	2.5
120.04546	2.2
121.02917	5.4
122.63634	0.8
124.03985	1.5
126.05597	3.3
130.04204	2.2
130.06619	2.1
131.03735	1.0
131.05057	1.1
132.08188	1.3
133.06538	0.8
137.06062	18.7
142.06606	0.9
144.04532	2.4
144.08176	8.0
145.06563	6.0
146.06107	9.5
147.04492	4.7
148.04028	3.7
149.06041	3.6
152.03525	2.1
152.07120	2.0
157.05330	2.8
158.06099	0.9
160.07668	4.3
161.02417	1.5
161.04572	1.0
161.05966	1.2
162.06787	3.5
163.07616	6.4
170.06099	4.2
172.07660	30.4
173.04503	3.6
173.07941	1.2
174.05545	3.0
176.07115	3.0
177.05533	10.3
177.09143	2.0
178.08839	1.1
179.03471	1.8
179.07129	1.7
188.07144	1.9
189.07959	1.2
190.08739	1.4
192.10249	1.9
194.05797	1.2
204.10257	88.5
205.10577	5.6
206.08203	2.2
216.06647	2.4
218.08170	11.9
222.11302	0.8
230.08223	1.5
234.07806	0.9
236.09212	4.1
248.09222	100.0
249.09555	8.5
257.17343	1.1
266.10269	8.0
267.10516	0.9
303.52493	0.8
368.14893	3.3
389.49353	0.8
390.73257	0.8
400.13879	7.3
412.14059	3.4
430.14960	31.3
431.15042	4.9
450.65067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
59.40311	0.4
60.01713	1.3
61.98840	0.9
68.03247	0.5
69.03453	1.7
70.79356	1.1
70.79714	0.9
71.01370	1.7
71.93130	0.5
73.02941	1.0
75.67208	0.5
85.02964	0.5
89.02419	0.8
90.03497	2.0
93.03468	0.7
94.02999	1.2
95.05041	1.1
101.02448	1.1
106.02998	1.3
113.02462	0.8
114.03500	1.0
115.04278	1.0
116.05077	1.4
118.02993	4.2
120.04596	0.6
121.02961	1.9
126.05612	1.9
130.06645	1.2
131.03764	0.7
135.04527	0.9
137.06052	4.5
146.06151	0.7
148.04019	0.5
149.02426	0.5
152.03555	1.0
152.07121	1.3
159.03233	2.7
160.07628	0.8
162.01866	0.6
164.07120	0.7
173.04478	2.8
174.05576	50.6
175.05931	2.5
176.03508	5.8
178.01482	1.2
178.05087	3.0
184.04059	1.2
188.03551	0.9
188.07169	0.4
189.04318	0.8
190.05084	0.8
190.08618	0.5
192.10318	0.9
202.01537	1.0
202.05064	3.5
203.08260	0.5
204.02995	0.9
204.06625	3.7
206.08189	37.8
207.08505	2.3
214.34645	0.5
216.06651	0.8
218.04648	2.0
222.11147	0.6
222.29213	0.5
224.09195	1.0
224.17433	0.6
232.06125	0.6
234.07666	13.3
235.08116	0.6
248.29999	0.5
250.07242	2.6
257.17734	0.9
266.10272	13.0
267.10773	0.6
291.01889	0.5
316.12045	0.6
338.10092	0.9
357.78906	0.5
371.20670	1.0
379.30838	0.5
418.59540	0.6
429.64468	0.5
430.15005	4.0
430.20255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05814	1.7
58.17788	1.3
59.01372	16.6
59.49485	1.2
61.71899	1.3
61.98822	100.0
69.29407	3.6
69.29829	10.0
71.01382	1.7
80.00610	1.7
96.96009	4.2
131.28157	1.4
143.28226	1.6
152.99582	3.0
197.11824	2.8
198.12019	1.9
247.93312	1.6
309.20557	1.5
310.21024	5.2
348.99374	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	10.1
60.01695	0.7
61.01809	1.0
61.98821	100.0
67.80974	0.6
71.60914	0.6
73.90443	0.6
74.12767	0.5
76.24640	0.6
78.95880	0.7
87.69220	0.5
89.02448	0.7
96.95995	7.1
108.58083	0.6
152.99579	1.4
226.18137	0.6
293.21326	1.0
311.22269	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	430.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45243	0.7
59.01372	7.0
60.01707	1.6
61.01801	1.4
61.98820	100.0
70.65471	1.6
70.65845	1.2
71.53253	0.6
72.27473	0.7
78.95876	1.3
96.96012	6.5
99.92577	0.7
134.26070	0.7
145.02904	1.1
152.99583	1.8
225.40921	0.8
279.99698	0.9
295.22461	0.9
300.82239	0.7
418.64606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66969	0.5
53.09909	0.5
59.01372	3.3
65.00313	0.7
71.01376	2.9
73.02930	0.6
77.03954	2.5
79.01875	1.9
85.02942	0.9
89.02427	1.2
92.55373	0.5
93.03449	4.2
98.20631	1.2
101.02425	1.0
104.60851	0.5
105.03472	1.1
113.02422	0.6
115.92058	0.7
117.03448	11.2
119.05001	1.4
121.02940	3.9
133.02896	0.7
135.04510	3.7
137.02429	3.8
145.02922	0.8
149.02391	1.5
159.04451	2.4
161.02394	5.8
163.00269	1.2
163.03983	3.9
165.01871	2.1
173.06107	0.7
175.00337	0.7
175.03897	0.8
179.03412	0.6
182.03951	0.7
183.04396	1.0
191.03432	1.5
195.08171	0.7
196.05260	0.6
197.06041	1.2
203.03491	0.9
209.04504	1.3
211.07487	0.8
213.05540	0.8
215.07066	0.9
224.04662	1.6
225.05630	1.0
239.07097	2.3
253.04987	1.5
255.95284	0.5
268.03693	1.9
269.04425	5.1
269.06799	0.6
281.04498	8.6
282.05289	5.6
283.06073	62.4
284.06366	5.5
293.04446	2.4
295.06082	4.6
296.06476	0.6
309.03958	0.8
311.05548	100.0
312.05890	8.3
314.04309	2.3
323.05566	8.2
341.06549	24.4
342.06921	2.5
353.06833	1.4
395.07562	0.7
413.08652	2.0
431.09735	66.6
432.10196	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	431.0978
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.71622	0.3
54.45922	0.3
58.38431	0.3
59.01373	5.9
59.28359	0.4
61.98805	0.8
63.02374	1.0
65.00309	0.7
67.13702	0.5
69.40144	1.2
69.40571	1.5
83.01384	0.8
89.02451	0.4
91.21942	0.4
95.46425	0.3
100.80961	0.4
101.02444	0.5
102.64660	0.4
103.28779	0.3
107.01386	2.4
113.48876	0.3
117.03419	3.0
117.87973	0.3
129.81291	0.4
139.81958	0.4
148.01685	0.7
149.02385	1.9
149.99561	0.5
151.00366	4.7
151.09096	0.3
156.56284	0.3
159.04457	0.5
171.04480	1.2
172.05261	0.8
181.06560	0.4
184.05157	0.4
195.04572	0.5
196.05246	1.1
200.04689	1.1
201.05574	0.5
211.03986	2.3
212.04712	1.3
225.05534	1.3
239.03488	3.2
240.04247	6.1
267.02911	2.2
268.03720	97.8
269.04483	100.0
270.04816	6.4
282.05286	0.7
283.06131	0.6
311.05386	2.0
316.99017	0.3
332.62805	0.4
431.09769	43.9
432.10074	4.3
435.82877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50540	0.5
59.01371	6.7
60.99303	12.6
65.03950	0.6
66.10586	0.6
71.01369	5.3
72.99323	0.9
73.02922	1.6
83.01388	0.5
85.02946	2.9
88.98797	100.0
89.02435	8.8
89.99149	0.7
93.03464	0.8
99.00861	0.9
101.02438	2.4
113.02432	1.7
119.03494	0.8
119.05019	2.0
127.14760	0.5
131.03546	0.8
137.02467	0.9
142.68982	0.5
149.04520	1.2
151.03989	0.8
158.56764	0.6
161.02469	0.6
191.05579	12.7
234.30917	0.5
299.11301	1.7
431.15561	6.0
459.83829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46245	0.3
59.01371	33.3
61.98828	0.6
70.88895	0.5
71.01376	1.6
73.02960	0.5
81.03520	0.4
83.23720	0.3
85.02951	0.5
88.98760	0.4
89.02448	1.8
93.03445	1.2
99.00879	0.4
101.02387	0.4
108.02151	0.6
109.02940	0.8
111.80639	0.3
113.02437	0.7
118.98088	2.8
119.03516	0.6
123.04538	0.4
134.06374	0.3
135.04475	0.7
136.01622	2.4
137.02423	100.0
138.02780	3.4
138.05598	0.7
143.44789	0.3
147.04434	0.4
151.03905	0.4
153.05504	0.4
161.02409	1.3
176.04724	0.9
179.03467	2.2
191.05554	0.5
194.05823	2.6
206.41716	0.3
209.04518	0.8
209.08147	6.1
210.08467	0.5
251.09377	0.3
269.06653	0.7
277.26480	0.3
296.99957	0.3
311.07794	0.4
315.10825	0.8
341.08765	0.3
343.08447	0.4
371.09219	0.3
378.61615	0.3
415.70212	0.3
431.11694	20.5
432.12057	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.5
57.10553	1.6
59.01374	100.0
60.01699	2.2
61.98823	4.6
69.03431	2.3
70.06962	6.0
71.01376	11.4
73.02938	5.2
75.80679	1.6
83.01365	2.0
85.02930	4.1
89.02447	7.2
95.05035	2.3
97.06584	1.6
99.00871	1.7
99.04512	3.9
101.02442	9.4
107.16526	1.6
111.00894	3.0
113.02431	4.3
119.03526	2.6
119.05043	2.5
120.67766	1.6
121.02972	1.8
122.29359	1.6
137.06015	2.7
147.29820	1.7
151.88187	1.4
155.08594	2.2
161.04559	3.8
163.04054	1.9
165.07335	1.8
165.12773	2.8
171.11745	5.9
173.04512	1.9
179.05556	3.4
197.02133	2.4
198.89597	1.7
207.13849	7.2
209.11832	8.9
223.13347	2.8
233.11765	33.9
251.12827	7.5
251.47481	1.9
260.89111	1.8
269.13910	53.8
270.14346	3.9
275.09094	1.6
307.32159	1.8
341.15805	2.0
371.16769	8.8
391.51196	1.6
431.18182	8.6
431.23181	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	431.147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58994	4.0
52.31580	4.7
59.01093	5.8
59.01373	100.0
60.56363	4.6
61.98827	6.4
63.64034	3.7
69.44304	15.6
69.44729	16.4
71.01372	14.6
73.83596	4.1
78.20108	4.7
79.05524	4.7
81.55589	5.1
95.05010	5.7
98.20685	9.0
99.04527	6.7
113.02428	6.4
117.60091	4.0
119.03427	5.7
122.02439	5.3
137.06017	5.2
138.05545	14.2
164.07104	6.7
168.42729	4.2
171.11740	24.7
179.07030	10.2
197.02194	7.4
208.06142	13.6
218.77518	4.2
231.79466	4.9
233.11781	83.8
234.12129	9.7
235.87683	4.9
359.64532	4.5
371.20743	6.1
431.26648	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	431.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01714	3.1
61.75684	3.0
61.85490	2.7
61.98832	2.9
66.28631	2.5
69.03476	2.3
69.30241	23.8
71.01376	11.7
77.94133	2.6
79.05521	3.4
83.05022	3.6
85.02953	4.3
85.19913	2.4
88.04039	4.4
89.02428	4.8
95.05026	5.8
101.02438	8.0
113.02428	6.1
137.06046	3.7
138.05551	7.2
155.08665	4.1
161.04500	5.9
171.11798	6.7
175.62100	2.7
179.07130	9.8
197.02206	5.8
208.06111	7.1
233.11783	71.4
234.12126	6.2
248.08954	2.9
249.09608	2.7
275.09366	3.8
340.04605	2.9
344.98730	2.5
371.20773	4.5
383.19608	2.8
431.15009	7.8
431.26776	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	431.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.8
59.01374	100.0
61.98824	14.3
69.58695	8.6
71.01375	44.2
71.47974	1.9
72.99314	2.7
73.02934	6.2
79.82907	1.6
85.02937	10.4
87.00869	3.7
89.01903	3.5
89.02432	52.0
90.44411	1.7
98.19830	2.2
99.00854	2.4
101.02447	21.6
107.69789	2.2
113.02451	11.4
119.03541	11.2
119.05011	19.1
127.00278	2.0
131.03499	10.6
137.06026	3.8
137.10837	1.7
138.33105	1.7
143.03461	3.4
149.04524	18.5
161.04546	2.2
161.87598	1.6
179.05623	5.3
191.05560	6.3
191.27490	1.7
194.05745	2.3
207.76228	1.5
209.08154	6.5
228.58275	1.6
239.09322	2.5
265.91855	1.7
299.11322	23.0
431.15509	63.0
432.15833	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	431.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03138	0.7
55.01869	0.8
58.00583	2.4
59.01374	77.5
60.01710	1.1
61.98827	0.7
69.53815	5.0
69.54212	1.3
71.01375	38.9
72.30249	0.7
72.99275	1.4
73.02942	12.7
78.57586	0.7
79.73930	0.6
81.00339	0.7
83.01392	1.2
85.02954	6.2
87.00883	1.2
89.02438	64.2
90.02775	0.9
93.03477	1.1
95.01376	1.2
97.02926	1.1
99.00874	22.1
101.02435	26.1
103.58788	0.8
113.02421	8.1
119.03514	7.7
119.05003	16.7
125.02415	2.3
131.03488	7.3
137.02441	1.8
137.06036	1.5
141.86620	0.7
143.03482	0.9
149.04536	21.6
153.63232	0.7
161.04597	1.3
179.03452	1.3
179.05626	1.8
191.05556	7.9
194.05846	1.9
200.13544	0.9
209.08192	5.5
251.07553	0.9
299.11368	5.4
431.15512	100.0
432.15842	10.1
437.39771	0.8
440.46860	0.8
456.24020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01706	1.1
62.48896	0.6
69.61237	3.2
82.17042	0.4
95.35830	0.4
110.25504	0.5
111.44481	0.4
158.10002	0.5
161.02417	2.5
176.04770	2.6
179.03485	3.8
191.07188	1.6
194.05797	7.6
209.08163	17.7
210.08582	1.3
292.89175	0.5
357.79044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01702	0.7
62.37239	0.4
71.01393	2.2
71.62142	0.6
75.00829	0.6
75.56437	0.4
85.02940	0.6
89.02438	5.3
101.02447	1.6
105.27609	0.5
109.02950	0.5
113.02438	1.1
114.70692	0.5
118.98087	1.0
119.03523	0.6
121.02946	1.0
123.04498	0.5
133.03041	0.5
133.05069	0.6
135.04504	1.0
136.47879	0.4
137.02448	0.6
138.01952	2.1
138.05608	5.6
149.04613	0.8
151.04005	0.8
153.05614	0.5
161.02432	3.8
161.04584	1.0
162.02870	0.5
168.33862	0.4
176.04788	3.3
179.03490	5.6
191.07127	1.3
194.05800	5.6
195.06355	0.6
209.08174	17.5
210.08571	1.5
293.08829	1.1
297.09671	0.5
309.08435	0.7
315.10901	1.7
431.12512	0.5
432.15063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
58.00589	0.9
59.01371	38.4
59.98511	0.7
67.01897	1.0
69.03447	4.0
71.01373	18.1
71.01762	1.0
72.99293	1.2
83.01386	0.9
84.22678	0.6
85.02956	3.6
87.00862	0.8
89.02431	16.0
93.03439	3.2
95.01376	1.9
95.05004	0.9
97.02952	0.9
98.81557	0.5
99.04504	28.8
100.04813	0.9
101.02419	10.9
106.06704	0.6
107.05002	1.0
111.00890	1.5
111.04527	2.5
113.02433	6.9
119.03489	5.6
119.04971	0.6
121.03011	0.7
121.06494	0.6
137.06067	1.8
139.00359	0.7
143.03444	0.7
157.05057	3.9
161.04362	0.7
173.04497	8.6
179.05602	1.3
181.04993	0.9
189.12804	4.7
207.13863	27.4
208.14218	1.5
209.11623	0.7
233.11694	0.8
251.12830	100.0
252.13171	6.2
257.17493	3.2
268.03674	2.4
269.04477	1.5
273.07693	1.0
293.10208	1.5
307.08240	1.2
317.10275	1.9
431.19049	39.6
432.19342	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	431.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
58.00594	1.3
59.01373	42.2
59.22545	0.4
61.98830	1.1
64.82825	0.4
68.51531	0.4
71.01374	20.5
71.38068	0.4
72.99295	1.2
73.02953	0.8
83.01389	0.4
85.02945	3.9
87.00873	0.9
89.02433	23.1
89.43518	0.5
90.24367	0.4
92.29684	0.4
93.03429	0.6
95.01385	1.6
99.04505	18.3
100.04858	0.6
101.02435	10.1
111.04496	0.9
113.02433	7.6
119.03482	7.9
121.06617	1.0
125.02358	0.4
131.03442	0.5
141.03793	0.6
143.03499	1.1
149.04485	0.5
161.04514	1.1
163.14919	1.1
179.05611	3.0
183.13927	0.5
189.12796	4.0
197.60434	0.5
207.13866	18.6
208.14200	1.3
233.11839	0.7
251.12839	100.0
252.13144	7.7
257.17535	3.0
268.03702	1.3
269.04501	1.0
431.19089	31.6
432.19290	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	431.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
60.58707	0.2
62.96409	0.3
70.84144	0.6
70.84498	0.3
76.35429	0.3
78.95892	70.5
96.96946	5.7
119.30133	0.3
126.96001	0.3
150.98003	1.6
152.99564	100.0
153.99915	1.9
171.00592	3.1
277.21729	0.8
431.21942	13.2
432.22348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33991	0.2
58.55273	0.2
61.08421	0.2
71.07272	0.3
71.07608	0.3
73.99274	0.2
78.95895	51.8
82.83587	0.3
96.96949	6.4
101.40260	0.2
112.33892	0.2
117.85966	0.2
144.46262	0.2
150.98013	1.9
152.99573	100.0
153.99875	1.1
171.00632	4.2
188.08630	0.2
233.63759	0.2
277.21695	0.8
431.22006	7.7
432.22403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
63.09336	0.2
70.47136	0.7
71.26743	0.3
78.95898	74.1
80.30939	0.3
96.96951	5.3
123.55217	0.2
150.97943	1.5
152.99573	100.0
153.99899	1.5
171.00618	2.8
196.91551	0.2
217.21399	0.3
268.03754	0.5
274.90515	0.3
277.21738	1.5
431.21957	14.1
432.22379	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
62.96397	0.3
70.69976	0.5
70.70331	0.3
78.95896	52.7
80.87761	0.2
89.69720	0.2
91.74913	0.2
96.96957	6.1
110.40137	0.2
150.98015	1.6
151.19516	0.2
152.99573	100.0
153.99899	1.3
171.00616	4.3
249.64545	0.2
277.21765	0.8
319.21313	0.2
431.21985	8.1
432.22217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
59.01371	100.0
60.00287	0.2
60.01705	1.0
61.98822	0.5
63.08987	0.2
67.34905	0.2
69.66184	0.7
69.66595	0.7
71.01372	6.0
73.02939	1.8
75.00892	0.3
77.70296	0.2
83.01393	0.7
85.02940	2.7
89.02451	1.5
89.10909	0.2
95.01398	0.4
97.16912	0.2
98.20598	0.4
99.00880	1.0
99.04456	0.3
101.02436	4.1
111.00860	0.3
113.02431	2.6
118.69781	0.2
119.03517	0.9
129.01978	0.2
135.32002	0.2
143.03539	0.4
159.03008	0.8
161.04523	5.0
173.46497	0.2
179.05685	0.6
187.73183	0.2
189.75055	0.2
227.49252	0.2
251.12872	0.2
254.04541	0.2
269.13998	0.3
349.56631	0.2
371.20657	8.3
372.20941	0.5
431.23380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
55.42661	0.4
59.01374	100.0
59.78075	0.5
60.01703	0.6
61.98828	1.6
62.56297	0.6
69.03456	1.3
70.45996	0.5
70.89363	1.2
71.01381	9.8
73.02952	1.9
76.36456	0.5
83.01411	0.5
85.02944	4.0
87.00851	0.9
89.02439	7.9
95.01388	0.7
95.05023	0.9
97.02946	0.7
99.00903	0.9
99.04491	0.6
100.56112	0.5
101.02439	7.2
111.00893	1.7
111.08244	0.5
113.02464	5.1
119.03493	3.0
121.02969	0.7
122.02442	0.5
132.04543	0.6
134.06100	0.7
135.04552	1.2
137.06108	1.1
138.05560	2.9
138.06474	0.4
143.03519	0.9
145.01433	0.6
159.03001	1.1
161.02496	1.0
161.04527	7.1
164.07135	1.4
165.12880	1.8
171.11732	0.7
173.04593	0.6
179.03474	1.3
179.05592	1.7
179.07179	1.9
191.14484	0.5
197.02049	0.6
208.06177	1.7
209.15524	1.7
221.27159	0.4
233.11783	5.0
239.12865	0.7
244.00432	0.4
249.09557	0.8
268.11938	0.6
275.09341	0.8
287.22388	0.5
327.18115	1.4
371.20636	7.0
372.21368	0.6
373.88275	0.4
377.12158	0.8
431.13330	0.8
431.26593	1.7
431.63821	0.9
432.16403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03432	1.1
57.40387	0.8
58.00583	1.2
58.20971	0.8
59.01373	100.0
60.01707	4.6
61.01799	2.1
61.98825	13.8
65.70452	0.8
66.74670	0.8
68.63062	0.7
69.21855	0.8
69.63293	3.6
69.63705	1.7
71.01376	16.7
71.02041	0.7
72.01729	2.0
72.99305	1.9
73.01797	0.9
73.02941	2.4
76.04881	0.7
83.01371	2.2
85.02937	5.6
87.00883	1.3
89.02434	16.0
90.02777	3.2
91.02875	2.4
95.01363	2.2
99.00899	1.2
99.04494	2.2
99.37202	0.8
101.02429	12.8
102.02791	1.1
103.02898	1.0
113.02445	6.5
114.02779	1.4
119.03485	4.9
120.03870	1.0
143.03482	1.3
147.83488	0.9
149.84381	1.0
154.99886	2.0
158.44353	0.9
159.03038	1.1
161.04520	5.6
161.13351	2.7
162.13725	2.3
165.12769	1.4
170.14996	1.0
179.05693	1.3
181.06061	0.9
205.12318	5.9
206.12639	3.0
207.13014	3.4
209.11723	1.9
209.15334	0.9
249.11227	6.6
250.11609	4.9
251.11836	5.6
269.13889	14.0
270.96643	0.8
279.91504	0.9
293.13687	1.0
323.14944	0.9
341.16074	1.6
356.54221	0.8
370.44492	0.9
371.20667	14.9
372.20914	1.6
431.18399	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	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
58.00638	0.3
59.01372	100.0
59.75968	0.3
60.01707	0.9
61.98813	0.5
63.20430	0.3
71.01376	7.3
71.62395	0.5
72.99294	0.6
73.02943	1.2
75.00877	0.4
83.01392	0.8
85.02943	3.0
87.00870	0.6
88.02543	0.3
89.02435	4.7
95.01378	0.9
99.00880	0.7
101.02435	4.2
107.05004	0.3
113.02431	3.9
117.03449	0.4
119.03505	1.6
123.04481	0.3
131.03471	0.3
133.02950	0.9
135.04561	0.8
137.06059	2.5
137.09689	0.6
143.03465	0.8
145.02939	0.9
159.03006	0.6
161.02437	2.3
161.04500	4.0
179.03514	1.0
179.05580	1.1
222.42494	0.3
249.06219	0.5
267.07245	1.1
283.06061	0.4
371.20575	0.7
374.13474	0.4
431.14670	1.0
431.22986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66093	0.4
55.01862	0.4
56.00597	0.3
57.03449	0.6
59.01372	100.0
60.01697	1.2
61.98819	0.7
69.37766	0.3
71.01373	7.3
72.99281	0.6
73.02931	1.9
75.00867	1.0
83.01389	0.8
83.12149	0.3
85.02930	3.1
87.00871	0.8
89.02435	4.6
90.64681	0.4
95.01363	0.5
98.20623	0.9
99.00889	0.7
101.02429	4.7
113.02440	3.9
113.03612	0.4
119.03493	1.4
122.03726	0.4
131.03503	0.5
133.02982	1.3
135.04512	1.5
137.06073	3.0
137.09662	0.4
143.03510	0.5
145.02937	0.9
159.03001	0.6
161.02461	2.6
161.04518	3.7
179.03496	1.0
179.05690	1.0
181.03258	0.4
181.56555	0.3
207.56367	0.4
249.06120	0.9
267.07272	1.6
283.06226	0.4
311.05548	0.7
358.11584	0.4
431.13931	1.7
431.23007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01371	100.0
60.01705	0.9
61.98819	10.0
67.01881	0.7
68.99815	0.5
69.03462	1.3
69.53166	1.7
69.53590	1.3
71.01375	6.9
73.02945	2.1
75.00872	0.7
75.56827	0.4
78.95940	0.5
82.76637	0.4
83.01375	0.8
84.95121	1.3
85.02947	2.6
85.49677	0.4
87.00858	0.5
89.02425	4.9
92.78629	0.4
93.03483	0.6
95.05022	0.9
96.56185	0.4
98.19772	0.6
98.30717	0.4
99.00848	0.9
99.04520	0.7
101.02429	5.1
109.02930	0.4
111.00882	2.0
113.02431	4.3
113.70691	0.4
119.03458	3.0
119.05050	0.4
121.02934	0.7
124.39651	0.4
126.05573	0.5
127.04062	0.7
130.99905	0.8
133.02957	1.0
135.04498	0.6
137.06075	0.9
143.03493	0.7
149.02557	0.4
159.03055	1.1
161.02443	1.4
161.04507	5.9
162.04886	0.4
179.03461	0.8
179.05603	1.7
181.05009	0.5
207.13884	0.4
213.07883	0.5
233.11810	0.9
240.97591	0.5
307.08334	0.5
329.15933	0.5
345.10590	0.5
366.92688	0.4
371.20724	6.9
377.12445	0.6
387.23880	0.8
393.21417	0.6
431.14874	0.5
431.23013	0.7
454.81729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01710	0.7
61.98827	1.7
63.43958	0.4
65.71422	0.3
70.74958	0.5
70.75299	0.7
71.01354	0.5
73.02924	0.4
78.95895	0.6
87.18352	0.3
87.38372	0.3
89.02409	0.7
101.02460	0.7
113.02454	0.4
119.03503	0.4
152.99593	0.4
161.02383	0.4
185.12061	0.3
269.95453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83238	0.3
59.01373	100.0
60.01697	2.1
61.01797	0.7
61.98823	30.2
67.92718	0.3
69.48569	0.3
71.01377	6.5
72.99310	1.3
76.80650	0.4
85.02964	1.0
87.00887	0.5
89.02431	8.5
90.02818	0.4
95.42358	0.3
99.04541	0.4
101.02441	3.5
111.36130	0.3
113.02446	2.6
113.12572	0.4
119.03503	2.6
121.03873	0.3
130.99934	0.4
131.03419	0.4
133.20291	0.5
143.03514	0.7
145.00137	0.3
161.04572	0.8
161.13429	0.8
173.04555	1.4
179.05626	1.7
205.12444	0.7
206.12663	0.6
209.11758	1.8
213.07697	0.5
223.13329	0.7
241.14474	0.7
249.11362	0.7
250.11745	0.8
251.12032	1.1
268.03836	1.5
269.04504	0.9
269.13986	0.8
299.14951	0.6
317.72235	0.4
371.20236	0.4
431.09851	0.8
431.18280	0.7
431.23441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01371	100.0
60.01705	0.9
61.98819	10.0
67.01881	0.7
68.99815	0.5
69.03462	1.3
69.53166	1.7
69.53590	1.3
71.01375	6.9
73.02945	2.1
75.00872	0.7
75.56827	0.4
78.95940	0.5
82.76637	0.4
83.01375	0.8
84.95121	1.3
85.02947	2.6
85.49677	0.4
87.00858	0.5
89.02425	4.9
92.78629	0.4
93.03483	0.6
95.05022	0.9
96.56185	0.4
98.19772	0.6
98.30717	0.4
99.00848	0.9
99.04520	0.7
101.02429	5.1
109.02930	0.4
111.00882	2.0
113.02431	4.3
113.70691	0.4
119.03458	3.0
119.05050	0.4
121.02934	0.7
124.39651	0.4
126.05573	0.5
127.04062	0.7
130.99905	0.8
133.02957	1.0
135.04498	0.6
137.06075	0.9
143.03493	0.7
149.02557	0.4
159.03055	1.1
161.02443	1.4
161.04507	5.9
162.04886	0.4
179.03461	0.8
179.05603	1.7
181.05009	0.5
207.13884	0.4
213.07883	0.5
233.11810	0.9
240.97591	0.5
307.08334	0.5
329.15933	0.5
345.10590	0.5
366.92688	0.4
371.20724	6.9
377.12445	0.6
387.23880	0.8
393.21417	0.6
431.14874	0.5
431.23013	0.7
454.81729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58517	0.3
59.01370	4.0
61.98816	1.0
63.63582	0.3
67.18674	0.3
69.80742	1.9
71.01385	0.4
75.10374	0.3
77.86543	0.3
78.95893	9.5
85.02966	0.4
91.91035	0.3
93.03397	0.3
96.67392	0.3
96.95972	0.6
96.96944	1.0
98.20554	0.4
110.96359	0.3
117.03453	15.3
118.03790	0.4
119.05012	24.2
120.05367	0.7
121.02943	1.1
123.04563	0.4
127.08553	0.3
145.02933	100.0
146.03262	4.2
150.98033	0.3
152.99571	16.2
159.87366	0.3
163.03989	17.9
163.25766	0.3
164.04291	1.2
171.00636	0.4
179.03624	0.3
263.20078	4.6
263.34650	0.4
267.19595	1.5
273.29471	0.3
285.20657	7.7
413.23166	0.5
431.24326	34.7
432.24673	4.6
454.04260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06058	0.3
56.68317	0.3
57.12969	0.4
59.01372	4.4
61.98822	1.7
71.01361	0.5
78.95895	15.7
89.02414	0.7
96.96957	1.6
98.19831	0.8
101.02444	0.5
117.03450	16.6
119.05010	27.7
120.05336	0.8
121.02930	2.0
134.03673	0.3
136.54797	0.3
145.02931	100.0
146.03267	3.9
150.98006	0.5
152.99567	24.7
163.03984	19.9
163.05383	0.7
164.04303	1.0
171.00653	0.6
267.19620	2.0
269.21072	0.9
285.20712	8.5
286.21106	0.5
310.70016	0.4
431.24298	32.6
432.24573	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	431.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45477	0.3
55.67393	0.2
57.03429	1.1
59.01371	10.3
60.63050	0.2
61.98806	1.0
69.03424	0.3
70.83511	0.7
74.88860	0.3
78.95462	0.4
78.95901	4.1
93.11787	0.3
96.96941	0.4
97.06555	0.5
107.08661	0.5
121.10229	0.5
125.09749	1.3
127.11339	0.6
139.11258	0.9
141.12798	1.4
145.02948	0.4
148.92905	0.3
152.99567	7.3
164.18764	0.2
171.10246	25.3
172.10614	0.9
183.10254	1.5
185.11766	0.7
199.22835	0.3
231.21034	0.6
237.18642	0.3
245.18990	0.4
248.53772	0.3
254.73352	0.3
263.20114	7.4
264.20547	0.8
275.20102	7.9
276.20416	0.6
291.19641	0.4
293.21185	19.1
294.21396	1.5
297.24179	0.7
309.20776	0.4
311.22232	100.0
312.22604	9.7
431.21899	1.4
431.27988	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	431.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01709	0.7
61.98823	6.6
69.95211	0.5
71.01398	0.7
71.61320	0.7
78.95895	13.9
96.96948	1.1
110.98539	0.7
119.05024	0.8
145.02951	2.6
147.44412	0.6
147.68987	0.6
152.99573	20.6
160.20369	0.6
171.00624	0.8
171.10310	1.1
183.13916	1.3
258.96103	0.6
263.20123	13.3
264.20648	1.2
293.21222	0.7
297.24319	5.9
311.22296	5.5
431.22403	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70198	0.6
53.47159	0.5
54.27539	0.5
56.29286	0.5
59.01372	100.0
60.01717	1.1
61.98825	14.2
65.00330	1.0
69.55327	3.3
71.01377	4.9
71.35666	0.5
73.02979	0.7
83.01408	0.5
85.02929	0.5
88.04034	14.4
88.04559	0.9
89.02453	0.8
92.01435	1.1
93.03474	0.6
113.02463	0.6
119.04974	1.0
121.01711	1.1
122.02469	39.5
123.00866	0.6
123.02840	1.2
124.04006	2.8
132.04573	1.7
136.04013	0.7
137.06073	5.4
138.05585	4.1
138.70387	0.5
146.06113	2.0
149.25229	0.6
152.03461	1.2
161.02440	1.0
164.07140	1.3
178.08740	1.0
179.07111	30.7
180.02997	2.7
180.06709	2.1
180.07758	0.4
190.05103	1.3
208.06120	15.4
208.08012	0.9
222.07800	1.4
223.06070	0.7
252.05249	1.0
252.08742	0.6
301.45752	0.5
310.11002	0.7
317.18747	0.6
330.78030	0.6
343.11957	0.8
432.16678	7.5
433.24576	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	432.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18970	1.9
59.01122	2.3
59.01372	23.5
61.98815	3.8
69.64173	11.8
71.01350	3.5
72.39674	2.4
88.62408	2.5
89.83366	1.9
93.03442	2.7
101.02409	2.1
118.06645	11.5
144.04520	3.4
148.07706	2.5
173.04486	11.0
174.04865	3.4
176.07155	77.6
177.07397	3.0
182.15431	2.1
204.06561	2.6
208.09755	100.0
209.10059	6.8
234.07637	10.5
286.54990	2.2
305.85110	2.3
372.14328	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	432.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08392	1.1
59.01373	100.0
61.98823	4.1
68.25760	1.0
69.55309	8.1
71.01405	1.2
79.36648	1.1
88.04030	16.0
94.02990	1.1
102.77322	1.1
104.05045	2.2
111.04581	1.2
120.04532	2.1
123.03236	4.8
123.04533	2.7
124.04024	6.3
132.04536	12.1
134.06114	5.2
137.06020	3.2
138.05594	80.8
139.05885	2.4
164.07143	39.6
164.08513	2.5
174.09241	1.3
179.07121	43.3
180.07484	2.7
206.11949	1.8
208.06128	56.5
209.06436	2.5
232.09694	2.6
250.10818	4.9
268.11890	1.7
342.52338	1.1
415.66559	1.2
432.16595	7.6
454.23325	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	432.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	97.1
60.01706	7.5
61.01802	1.4
61.98823	100.0
69.29358	3.5
69.29787	2.9
71.01377	9.7
72.01713	0.9
73.02933	1.5
75.91016	0.7
85.02943	2.3
89.02434	7.1
90.02783	1.0
99.04478	1.7
101.02436	5.3
102.02786	0.8
103.97718	0.7
106.34652	0.7
109.99892	0.7
113.02428	4.7
114.02777	1.2
119.03448	2.8
120.03815	0.9
143.03447	0.8
149.32440	0.7
156.43503	0.7
161.04478	3.2
179.05486	2.0
207.13783	1.3
208.14148	1.1
211.13380	7.6
224.13643	1.7
245.30766	0.7
246.30763	0.8
251.04556	0.7
251.12711	2.0
252.13246	4.1
268.12451	1.0
269.13907	1.7
270.14294	4.6
372.20743	2.9
373.21799	2.2
432.19272	4.5
433.20081	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	432.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11809	0.4
59.01376	2.7
61.01822	0.3
61.98823	100.0
65.00317	1.0
69.66998	0.8
69.67407	1.8
83.01394	0.7
84.29432	0.3
88.98770	0.9
93.03437	1.3
104.14959	0.4
104.66322	0.3
107.01373	1.7
119.05018	5.3
150.09637	0.3
151.00359	7.0
165.01938	0.5
177.01918	0.9
179.03586	0.4
269.04114	1.0
269.13803	0.6
270.04971	0.4
271.06082	15.5
309.59720	0.4
432.10077	0.8
433.20877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	13.5
60.01723	0.6
61.98823	100.0
69.82629	0.3
71.01377	1.3
71.60975	0.4
73.02950	0.4
78.95911	0.7
79.94869	0.3
85.02947	2.8
89.02441	1.1
101.02449	1.0
113.02412	0.6
179.05537	0.5
208.06154	0.3
209.15424	1.2
253.14391	1.9
271.15707	0.3
271.19098	0.4
327.54074	0.3
373.22360	0.3
433.20456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.2
61.98822	100.0
69.32290	0.5
69.32602	5.3
78.95898	7.0
81.12176	0.5
96.96955	0.8
117.03458	1.4
118.03848	0.7
118.40079	0.7
119.04996	3.0
120.05338	1.1
138.05605	0.9
145.02931	10.5
146.03291	5.6
152.99565	9.2
153.99910	2.0
163.03993	1.7
164.04333	1.1
179.07094	0.8
208.06161	0.8
237.78697	0.6
246.94844	0.6
277.28207	0.7
286.21158	0.6
432.24615	4.1
433.32999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
62.44275	0.4
68.06205	0.3
68.99773	0.3
69.32570	0.9
69.32995	2.0
71.01377	1.6
71.59325	0.3
73.02952	0.4
78.95893	0.5
79.95724	2.5
84.95147	0.4
85.02932	0.3
86.86586	0.3
87.00871	0.4
89.02442	0.9
93.03428	0.5
96.95998	100.0
97.95924	0.6
98.20078	1.4
98.95606	0.6
101.02430	2.1
104.03529	0.9
113.02411	0.6
119.03501	0.6
124.04055	0.3
125.90874	0.3
135.04517	3.4
135.06953	0.3
137.02402	0.4
161.02425	1.5
165.06618	0.5
173.04533	0.5
179.03471	3.4
197.11835	0.7
225.07690	0.8
239.06587	0.5
241.10818	1.0
247.23085	0.3
283.05701	0.7
301.06689	0.7
335.08231	2.4
336.08295	0.6
372.17349	0.3
387.20352	0.4
433.12625	0.7
433.20483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66593	0.5
59.01375	8.8
60.99294	1.0
61.98825	23.5
62.98512	0.8
63.02385	1.4
65.00314	4.7
71.01365	0.8
77.88763	0.4
83.01373	3.9
88.98811	6.1
89.02459	0.7
93.03458	7.4
101.69956	0.5
107.01379	10.2
108.02151	0.6
119.05019	33.2
120.05341	1.2
125.02435	0.8
141.72948	0.6
144.66264	0.6
151.00357	38.1
152.00685	1.4
164.01166	0.5
165.01891	1.6
169.01393	0.7
174.62312	0.5
175.00311	1.2
177.01920	5.2
181.49570	0.5
185.06107	0.6
187.03923	0.9
189.75615	0.5
193.01372	0.9
209.11925	0.7
227.07140	1.0
250.52499	0.5
269.13809	1.5
271.06082	100.0
272.06412	9.3
295.06064	1.3
313.07190	1.3
433.11270	1.5
433.20752	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	433.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	12.6
60.99287	0.7
61.98824	22.4
61.99146	1.1
63.02399	2.7
65.00314	4.8
69.64165	3.3
71.01369	1.6
83.01369	4.5
88.98801	7.3
89.02430	1.4
89.15289	0.4
93.03448	8.0
95.16007	0.5
95.16611	0.6
101.02442	0.9
107.01377	10.8
107.60514	0.5
113.02454	0.5
119.05013	35.2
120.05352	1.6
121.02998	0.5
123.04488	0.5
124.03979	0.5
125.02428	1.5
133.02951	0.6
134.69843	0.5
145.02885	0.8
151.00354	40.8
152.00693	1.8
164.01152	1.1
165.01938	1.6
175.00343	1.9
177.01933	5.5
190.92105	0.5
193.01407	0.7
194.92970	0.6
195.06496	0.6
197.12267	0.5
205.00995	0.5
209.11824	0.9
227.07071	1.0
269.13791	1.0
271.06085	100.0
272.06430	7.6
295.06082	1.5
313.07108	1.4
433.10999	0.9
433.20593	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02304	0.9
54.18539	1.0
55.91742	0.9
59.01371	14.0
61.84848	0.9
61.98805	1.2
69.87290	4.5
69.87675	2.0
71.01378	7.4
72.99297	2.6
73.02940	41.4
83.93878	1.0
85.02936	2.6
88.98779	4.9
89.02439	10.5
90.28664	0.9
98.20081	2.4
98.20628	1.1
99.00859	5.2
101.02433	5.9
113.02422	3.0
117.01928	100.0
118.02251	1.6
119.03465	4.1
123.04510	1.4
133.05020	1.7
135.04506	11.1
136.53317	1.0
143.03642	1.0
179.05592	1.5
191.05608	3.7
193.06082	1.4
248.85754	1.0
258.64633	1.2
315.07434	1.8
315.10849	21.9
316.10898	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01080	0.5
55.69526	0.6
59.01369	4.9
61.98811	0.8
70.72663	1.8
71.01372	2.5
72.71367	0.6
72.99314	1.7
73.02937	46.6
78.95893	1.0
88.98783	0.9
89.02431	2.8
96.95979	0.8
97.18725	0.6
99.00871	4.8
101.02431	1.1
107.05007	0.6
108.02139	0.8
116.92860	1.9
117.01925	100.0
117.05585	1.1
118.02267	2.0
119.03506	1.1
119.92124	0.6
127.75977	0.7
135.04536	0.9
140.83342	0.6
146.95584	0.7
315.10968	0.7
352.88159	0.8
443.10291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1343
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
57.03439	1.5
58.00593	3.0
59.01371	71.5
60.61665	0.7
60.99309	1.0
61.98811	1.4
69.03440	7.3
71.01373	82.9
71.60371	0.8
72.99303	4.8
73.02937	13.6
75.00864	4.2
75.83359	0.7
78.95892	0.9
81.03430	4.8
83.01375	6.2
85.02936	10.7
86.40553	0.9
87.00852	3.0
88.98786	2.7
89.02434	100.0
90.02766	1.5
93.03445	3.0
95.01380	3.5
96.47601	0.8
96.96001	5.1
96.96925	1.5
97.02929	11.6
99.00866	15.0
99.04507	2.7
101.02430	20.5
107.01389	1.0
109.02943	1.0
111.00856	1.6
113.02432	11.4
115.04013	7.5
116.92838	1.0
119.03485	3.1
121.02946	3.4
123.00858	4.9
123.04507	1.4
124.01646	36.5
125.02438	55.5
126.02795	1.9
127.03985	2.0
131.03481	13.6
135.04492	1.0
137.02441	1.7
138.03172	1.7
139.03990	24.2
139.89995	0.8
140.04324	0.9
143.03508	4.1
148.87872	1.0
149.02463	0.9
149.04524	17.9
161.02402	0.8
161.04514	3.6
170.68660	0.8
173.04495	2.4
173.61256	0.7
181.05087	1.1
191.05589	11.0
215.05559	1.8
233.06615	36.4
234.07039	1.3
239.28874	0.9
293.08749	49.9
294.09097	3.0
299.59296	0.8
301.09167	1.1
315.10712	1.0
316.74966	0.9
324.12039	0.9
356.09314	0.9
433.13647	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	433.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80667	3.6
54.64176	3.5
59.01370	100.0
61.98824	25.8
66.03893	3.8
71.01397	8.4
71.61559	4.3
72.99287	4.2
78.95882	5.6
85.02953	6.9
87.00877	4.3
88.24609	4.2
89.02473	5.4
95.85341	4.5
101.02485	6.1
107.05018	6.0
113.02428	6.1
138.05634	4.8
153.88925	3.9
161.13341	13.1
179.03499	4.3
187.62256	3.6
189.12758	4.5
191.14352	6.5
197.02245	6.4
199.68312	4.0
226.70160	4.2
235.13329	26.4
283.20615	4.2
287.22256	4.6
433.24429	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	433.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90131	0.8
55.01860	1.6
57.03428	3.4
57.47499	0.8
58.00591	1.0
59.01373	28.9
68.99796	2.0
69.03429	2.1
69.25849	4.6
69.26276	4.2
70.10782	0.9
71.00988	1.4
71.01373	24.3
71.05016	1.2
71.15749	0.8
72.99308	5.6
73.02919	2.4
74.51618	1.1
75.00867	20.0
83.01373	2.5
83.05023	1.3
85.02940	26.5
87.00865	8.9
89.02435	12.2
95.01369	6.0
99.00332	1.2
99.00878	13.0
99.04509	1.0
101.02448	5.2
103.00347	1.8
109.02900	1.3
111.00863	1.9
113.02431	31.0
114.02709	1.1
115.00320	2.0
117.01901	2.5
119.03452	2.4
121.10166	1.0
125.02407	1.7
129.01852	1.6
133.02919	3.0
133.62158	0.9
135.04463	1.4
137.09691	1.2
139.11264	4.9
157.01366	1.0
161.02434	8.2
161.04535	1.8
165.09256	1.2
175.02423	1.8
179.05562	1.5
183.10243	28.0
184.10536	1.3
192.51747	0.8
205.07082	2.1
223.08080	1.5
231.05078	2.1
249.06110	28.1
250.06454	1.4
252.10959	0.8
267.07172	40.1
268.07574	1.5
319.26053	0.9
415.16330	1.6
433.11731	5.4
433.16995	100.0
433.23819	3.9
434.17285	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	433.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
56.22060	1.1
57.03450	4.6
57.09315	0.9
58.00597	2.8
59.01373	59.7
60.88597	1.0
61.19365	1.0
68.99821	1.8
69.03474	1.0
71.01374	55.8
71.62216	2.0
72.99310	8.5
73.02933	5.7
75.00866	21.2
81.69082	1.0
83.01388	3.6
85.02947	38.7
87.00870	14.3
87.04508	1.7
89.02433	38.2
93.03422	1.3
95.01374	5.9
99.00886	14.4
99.04526	1.4
101.02428	19.7
103.00352	4.9
113.02441	52.9
115.00361	2.1
117.01945	4.1
119.03490	13.9
119.05000	3.6
123.04567	1.1
125.02385	2.6
129.01965	3.0
131.03468	2.9
135.04517	1.6
139.11287	3.3
142.07172	1.1
143.03500	2.7
149.04564	1.4
150.09227	1.1
151.00375	1.9
157.01448	1.5
159.03036	1.4
159.10275	1.6
161.04524	8.9
165.01895	1.3
165.09131	1.3
175.02438	2.4
179.03464	1.4
179.05600	5.8
183.10246	20.5
191.05647	1.5
193.01360	3.3
193.03416	1.1
205.07147	2.3
218.11992	1.0
223.02386	1.1
223.08115	1.1
231.05186	1.8
249.06105	11.3
250.06464	1.4
261.62527	1.0
267.07169	83.6
268.07574	2.5
271.06149	1.8
271.19116	3.7
313.07092	11.9
314.07437	1.5
321.15591	1.6
343.08231	2.4
363.20047	2.3
387.20261	1.9
433.17065	100.0
433.24228	22.9
434.17471	11.1
434.24167	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	433.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.68309	0.8
57.03445	4.9
58.00573	1.7
59.01373	29.9
67.01890	1.2
68.99799	1.4
69.03423	2.5
69.25297	8.6
71.01375	34.6
72.74012	0.9
72.99290	6.4
73.02917	3.0
75.00862	21.7
81.03432	1.5
83.01360	2.0
85.02939	24.3
87.00871	9.8
89.02437	15.2
89.73454	0.8
93.03432	1.0
95.01382	7.1
95.04980	0.8
97.02941	1.2
99.00864	13.7
99.04482	1.6
101.02427	8.3
103.00326	2.0
109.02891	2.2
111.00851	1.0
112.47998	0.8
113.02433	34.7
115.00336	2.7
117.01906	2.2
119.03500	3.9
121.02923	1.1
121.10235	1.5
123.04482	1.2
125.02405	2.0
129.01892	2.8
130.03056	0.7
131.03459	1.1
133.02928	4.7
135.04488	3.5
137.09578	0.8
139.11253	2.8
143.03474	1.1
161.02408	13.1
161.04492	3.8
175.02411	3.3
179.03494	1.2
179.05562	2.2
183.10257	25.7
184.10545	1.2
189.55818	1.0
205.07135	1.7
209.04428	1.0
223.08109	0.8
231.04979	2.4
249.06110	28.9
250.06424	1.1
253.14565	0.8
267.07184	38.1
268.07593	1.8
415.15729	1.6
433.11447	8.2
433.16956	100.0
433.23734	4.2
434.17303	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	433.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24986	0.6
55.01868	1.4
57.03433	1.8
58.00592	1.6
59.01373	84.2
69.03439	0.8
69.33968	5.7
71.01372	18.2
72.99307	1.7
73.02946	4.3
74.49941	0.6
78.35308	0.6
78.94383	0.6
83.01384	1.7
84.95116	2.4
85.00421	0.6
85.02942	6.8
87.00870	1.4
89.02435	18.0
94.63467	0.7
95.01381	1.4
99.00904	1.1
101.02434	13.4
107.08636	0.7
113.02440	8.4
114.79077	0.6
119.03490	8.1
127.04072	0.7
131.03555	0.8
143.03461	0.6
145.05048	1.1
161.04558	0.8
179.05582	1.9
183.10378	0.7
190.03911	0.6
228.50133	0.6
241.10791	0.9
355.17535	1.1
415.19797	4.4
433.20798	100.0
434.21240	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	433.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47824	0.5
59.01371	100.0
60.01700	0.8
63.11737	0.5
65.24986	0.5
69.75999	2.1
69.76424	1.3
71.01370	1.9
73.02959	2.3
78.95926	0.6
83.01369	0.7
85.02928	0.5
86.18420	0.6
87.00858	0.7
89.02425	1.2
98.20623	0.6
101.02420	4.7
113.02460	0.8
149.04523	0.6
161.04550	1.2
181.13977	0.5
271.02518	0.6
300.02792	1.3
301.03677	0.8
302.12149	0.6
373.18961	0.8
426.27936	0.6
433.07626	0.6
440.50458	0.6
441.12076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01704	1.4
61.01807	0.6
61.98817	1.6
69.42274	1.5
69.42687	1.0
71.01372	2.8
72.99304	0.4
73.02956	0.5
78.95902	0.8
84.23043	0.4
85.02961	1.0
87.00873	0.4
89.02456	2.0
90.01295	0.4
101.02411	2.6
106.40810	0.4
113.02458	1.5
119.03524	0.8
120.06612	0.4
135.04468	0.3
161.04567	0.5
172.76897	0.4
201.23244	0.3
232.30258	0.4
243.12354	0.9
269.13333	0.5
271.13354	0.4
336.33130	0.4
361.15027	0.6
373.18616	0.5
433.20654	1.3
433.24985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01712	1.2
61.66091	0.4
61.98822	12.4
61.99150	0.7
69.30602	3.6
69.97946	0.4
71.01376	1.9
73.02946	0.6
85.02959	0.9
89.02505	0.8
96.11060	0.4
101.02441	1.6
102.21223	0.3
113.02430	1.6
115.04788	0.4
119.03501	0.8
135.04512	0.8
145.00189	0.4
151.91899	0.5
161.02412	0.5
161.04578	0.6
173.04539	1.4
179.03441	0.7
195.80144	0.4
211.13364	8.3
212.13704	0.5
228.07991	0.4
241.72224	0.4
253.14479	0.9
320.32559	0.4
352.01401	0.4
373.22437	1.9
396.16101	0.4
433.20343	3.6
434.20490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.98878	0.2
55.01866	0.3
58.94546	0.2
59.01360	0.4
62.96386	0.4
63.22085	0.2
70.84411	0.5
71.01371	0.2
78.95895	49.3
83.01379	0.8
96.96954	5.4
111.00857	0.3
137.41957	0.2
140.13663	0.2
150.97975	1.8
151.86267	0.2
152.99568	100.0
153.99924	1.2
154.08334	0.2
154.99814	0.3
171.00595	3.9
277.21725	0.8
279.23196	1.1
433.23474	8.4
434.23837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.37410	0.5
57.95697	0.6
59.01373	100.0
60.01708	1.4
60.41793	0.7
60.88373	0.6
61.98820	2.6
69.65032	4.0
71.01384	4.2
73.02940	2.0
85.02964	2.0
89.02445	1.9
92.07598	0.6
99.04509	0.8
101.02447	2.9
113.02474	1.4
114.12199	0.6
151.00447	1.0
161.04530	3.6
205.63411	0.6
207.13849	0.9
214.30865	0.6
251.12955	1.3
252.13266	1.4
253.13489	1.6
271.06128	1.2
285.54141	0.6
301.52515	0.5
319.55945	0.6
331.17767	1.6
373.22223	9.2
433.19812	2.2
433.24921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03438	0.4
59.01374	100.0
60.01715	1.3
61.98817	2.4
64.70400	0.3
65.00314	0.4
70.18951	0.3
71.01379	4.1
71.62015	0.6
73.02962	1.4
83.01392	0.8
85.02949	2.0
89.02440	1.9
99.00871	0.5
99.04538	1.0
101.02452	3.2
107.01398	1.1
113.02446	1.8
119.03466	0.4
119.05031	1.4
151.00322	2.6
161.04517	3.6
177.02167	0.3
207.13884	0.7
207.91370	0.3
208.14247	0.5
209.11826	2.4
251.12805	1.7
252.13268	1.3
253.13403	2.6
271.06067	4.6
373.22241	9.0
374.22736	0.9
433.19330	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2589
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
58.32685	0.5
59.01378	3.4
60.56716	0.5
61.87236	0.5
61.98811	0.8
69.34543	4.9
73.02927	0.6
78.72204	0.5
98.20621	1.1
117.03448	16.7
119.05012	26.5
120.05375	1.2
121.02954	2.1
123.04422	0.6
129.09038	0.6
133.02913	0.7
145.02934	100.0
146.03287	3.9
150.10123	0.5
163.03989	19.1
164.04279	1.2
186.95439	0.6
269.21194	1.5
287.22205	7.7
288.22565	0.8
343.47961	0.5
350.22858	0.5
361.90131	0.6
374.36243	0.5
415.24841	0.9
430.41458	0.6
433.25864	43.2
433.32205	1.6
434.26230	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
61.98820	0.9
71.31058	0.7
78.95883	0.8
81.00851	0.4
84.70967	0.4
96.95983	1.7
117.02614	0.8
117.03453	16.7
118.03758	0.7
119.05009	27.1
120.05386	0.7
121.02953	1.3
123.04491	0.4
139.11363	0.4
145.02934	100.0
146.03276	3.9
152.99551	0.9
155.70482	0.3
160.85718	0.3
163.03984	18.1
164.04326	0.9
242.00667	0.3
269.21133	2.0
287.22241	8.6
288.22699	0.4
368.97534	0.4
415.24820	1.0
433.25876	41.7
434.26117	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	434.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	1.3
59.01373	41.1
60.01701	6.6
61.01798	7.4
61.98824	100.0
69.23712	7.7
71.01395	1.8
74.02470	1.8
81.47403	0.7
82.02972	0.9
84.04588	0.9
86.02469	2.9
88.98790	2.3
89.02446	1.9
90.23917	0.8
93.03461	1.0
96.96003	2.5
97.04030	1.3
99.00908	0.9
99.05614	1.7
101.02418	1.2
101.07229	0.9
104.03537	3.4
109.04073	1.1
111.05646	3.4
114.05640	0.9
120.01275	1.4
123.73961	0.9
127.05117	1.8
128.03522	13.8
128.04407	1.0
128.08966	0.8
129.06647	1.2
133.88676	0.8
134.06046	0.8
135.05608	1.5
139.06201	0.8
140.07153	10.1
141.06726	1.1
143.04590	7.2
145.06190	1.3
153.06732	2.0
155.04749	0.9
160.00792	1.0
171.07765	1.1
173.04425	1.1
173.05710	6.6
179.04654	2.7
180.03792	0.9
180.19075	0.8
190.01756	1.4
195.06290	1.5
196.06281	1.1
207.04385	2.0
209.08150	2.5
210.08540	5.1
211.08752	2.0
212.09016	1.5
240.09837	0.9
272.08694	0.9
276.13171	0.8
284.08810	1.2
302.09885	6.5
318.07547	3.2
331.58051	0.9
336.08661	24.2
337.08911	2.2
434.16663	2.1
435.14996	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	23.8
60.01699	2.6
61.98822	100.0
63.99259	1.0
71.61815	0.8
72.99286	0.5
94.95794	0.4
101.02451	0.6
107.46895	0.4
156.46869	0.4
177.17650	0.4
188.02077	0.4
190.97105	0.4
234.62379	0.4
290.18823	0.4
415.80011	0.4
434.21124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.0
60.01690	0.6
61.01798	0.4
61.98822	100.0
63.99253	0.4
69.61861	1.3
71.01393	0.4
76.78042	0.2
108.92592	0.2
161.02432	0.5
207.13870	0.3
210.12015	0.2
211.13371	2.9
219.49998	0.2
269.13901	0.3
270.14212	0.5
271.14639	0.3
272.14597	0.3
306.20615	0.2
413.68814	0.2
434.21246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02922	0.4
59.01372	41.6
60.01709	0.6
61.01817	0.5
61.98822	100.0
63.13618	0.5
67.26319	0.4
69.20589	0.4
69.32259	3.3
71.01380	1.2
73.02936	0.9
74.82831	0.4
75.82264	0.4
78.26696	0.5
85.02962	1.1
87.57594	0.5
91.59442	0.4
93.03481	1.6
98.20620	0.9
101.02452	1.6
108.02155	1.1
109.73035	0.5
112.06464	0.4
113.02470	1.0
134.06125	1.0
137.02455	1.5
141.38495	0.4
152.01201	1.1
152.03560	0.8
161.04573	1.0
164.63936	0.4
166.05112	0.6
179.99188	0.4
192.06679	0.5
198.48073	0.4
236.05579	0.5
272.09335	0.8
375.20126	6.8
375.24713	0.4
391.16162	0.5
435.09427	1.8
435.15457	0.5
435.22067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	23.8
60.01699	2.6
61.98822	100.0
63.99259	1.0
71.61815	0.8
72.99286	0.5
94.95794	0.4
101.02451	0.6
107.46895	0.4
156.46869	0.4
177.17650	0.4
188.02077	0.4
190.97105	0.4
234.62379	0.4
290.18823	0.4
415.80011	0.4
434.21124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62197	0.7
58.02985	1.3
59.01373	7.2
60.99292	4.0
61.98822	100.0
67.01880	2.5
68.99815	2.8
69.03449	1.8
69.22730	5.2
69.23163	2.4
71.01361	1.6
83.05021	1.0
85.02953	2.7
88.98795	32.9
90.50259	0.7
93.03461	6.7
94.59621	0.7
95.01398	3.0
99.04494	0.8
101.02430	4.1
107.05019	2.1
111.00871	12.8
111.04511	4.1
113.02432	2.5
115.55747	0.7
119.05021	2.5
121.02976	2.6
127.04043	3.9
133.02953	1.0
135.04507	8.1
136.40106	0.8
137.02451	2.3
137.06093	3.2
139.00354	6.0
153.05566	0.9
161.02444	1.8
163.04022	2.7
165.01917	1.6
167.07085	1.0
178.08777	1.2
179.03500	2.8
180.06633	8.4
226.95750	1.2
273.07675	5.9
275.05539	7.5
283.27234	0.8
287.22226	1.8
307.08286	5.5
308.08578	0.8
311.09695	1.2
315.08765	1.1
340.42667	0.7
343.08438	1.0
372.18167	8.8
377.59747	0.7
391.15668	4.0
391.65997	1.2
403.10165	1.1
434.99368	1.7
435.26111	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	435.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.6
58.00576	4.8
59.01371	100.0
67.16957	2.0
70.01852	10.7
71.01373	44.2
85.02928	8.8
87.00874	3.0
89.02434	73.7
95.01381	2.2
101.02435	22.3
101.40550	2.6
109.64304	2.3
113.02440	18.8
117.38219	2.0
118.55684	2.4
119.03492	27.1
120.27097	2.1
136.27486	2.3
143.03465	7.3
145.02898	4.5
149.04501	2.6
150.03210	8.9
159.04143	2.4
161.02472	3.5
161.04526	8.5
162.03152	3.0
162.24768	2.0
163.03902	2.1
165.05540	25.3
177.05557	4.5
179.05588	47.3
180.04251	3.0
195.06586	4.9
213.07600	3.2
220.91655	2.2
255.78983	2.0
357.11896	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	435.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	53.1
60.01717	0.7
60.74572	0.3
67.16051	0.4
70.77344	0.6
70.77687	0.6
78.47142	0.4
106.74135	0.3
121.03004	0.6
122.03729	3.2
124.01669	0.6
136.01601	0.5
149.02461	0.5
150.03206	32.6
151.03587	0.8
161.04495	0.5
165.05547	100.0
166.05870	5.1
191.05598	1.2
204.35233	0.3
213.05624	0.8
213.07660	15.5
214.08017	0.8
233.41605	0.4
241.91136	0.3
258.96167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.9
60.99308	2.9
61.98822	100.0
67.01883	4.3
68.99794	3.8
69.03448	1.8
69.32756	6.6
71.01392	2.9
75.00873	1.4
79.55840	0.7
83.05027	0.9
85.02957	3.1
88.98797	21.3
89.02434	1.8
93.03441	9.1
95.01402	2.3
99.04506	0.9
101.02439	5.9
107.05024	2.8
109.02980	1.2
111.00871	16.7
111.01643	1.1
111.04482	5.5
112.01194	0.8
113.02448	3.0
119.05022	2.9
121.02943	4.6
127.04015	4.0
133.02966	1.3
134.03656	0.8
135.04515	8.1
137.02489	1.9
137.06049	3.5
139.00363	8.6
139.19006	0.8
143.03519	1.0
149.02452	0.8
151.04005	0.9
153.05667	1.0
161.02440	2.6
161.04553	0.7
163.04018	2.8
165.01917	1.6
167.07182	1.8
171.03004	0.8
178.08711	1.1
179.03479	4.4
180.06624	6.1
188.16855	0.9
192.20215	0.8
217.04750	0.7
223.02457	1.5
226.95767	1.4
269.69980	0.8
273.07660	6.4
275.05573	6.6
287.22247	3.7
299.09271	0.7
307.08221	5.1
311.09567	2.2
315.08716	1.7
343.08170	1.1
350.66333	0.7
372.18030	6.4
373.18427	1.6
391.15811	4.5
391.65973	1.6
434.99301	2.0
435.25974	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	435.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.9
60.99308	2.9
61.98822	100.0
67.01883	4.3
68.99794	3.8
69.03448	1.8
69.32756	6.6
71.01392	2.9
75.00873	1.4
79.55840	0.7
83.05027	0.9
85.02957	3.1
88.98797	21.3
89.02434	1.8
93.03441	9.1
95.01402	2.3
99.04506	0.9
101.02439	5.9
107.05024	2.8
109.02980	1.2
111.00871	16.7
111.01643	1.1
111.04482	5.5
112.01194	0.8
113.02448	3.0
119.05022	2.9
121.02943	4.6
127.04015	4.0
133.02966	1.3
134.03656	0.8
135.04515	8.1
137.02489	1.9
137.06049	3.5
139.00363	8.6
139.19006	0.8
143.03519	1.0
149.02452	0.8
151.04005	0.9
153.05667	1.0
161.02440	2.6
161.04553	0.7
163.04018	2.8
165.01917	1.6
167.07182	1.8
171.03004	0.8
178.08711	1.1
179.03479	4.4
180.06624	6.1
188.16855	0.9
192.20215	0.8
217.04750	0.7
223.02457	1.5
226.95767	1.4
269.69980	0.8
273.07660	6.4
275.05573	6.6
287.22247	3.7
299.09271	0.7
307.08221	5.1
311.09567	2.2
315.08716	1.7
343.08170	1.1
350.66333	0.7
372.18030	6.4
373.18427	1.6
391.15811	4.5
391.65973	1.6
434.99301	2.0
435.25974	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	435.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26612	0.8
57.03439	2.0
59.01374	43.9
60.02718	0.7
60.99291	1.1
65.16924	0.7
69.31242	7.2
71.01377	8.4
72.99274	0.7
73.02941	8.2
83.01363	2.2
85.02940	3.9
87.00869	12.5
88.00387	1.1
88.98782	3.6
89.02429	4.1
90.20789	0.7
91.24212	0.7
93.03468	0.9
95.01344	1.1
97.02934	4.6
98.19720	0.8
101.02431	15.4
113.02435	6.3
119.03485	4.3
125.09717	1.0
131.03488	3.0
139.11276	16.4
140.11679	1.1
143.03500	5.8
161.04520	1.5
173.04538	4.8
181.12317	11.7
183.10243	22.3
191.05614	5.2
199.13391	7.7
225.11319	7.1
243.12328	100.0
244.12659	7.3
285.13458	4.5
315.14374	2.7
327.14359	0.9
345.15475	9.1
346.15866	1.3
435.17245	1.0
435.22910	12.2
436.22931	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40759	0.5
57.03432	1.3
59.01372	29.3
59.49967	0.5
60.67890	0.6
61.15911	0.6
63.47472	0.5
70.56036	0.6
70.56355	1.6
71.01376	8.1
73.02938	8.4
74.83868	0.5
81.03440	0.5
83.01382	1.4
85.02924	2.3
87.00864	1.1
88.98787	0.8
89.02428	2.1
91.52534	0.6
95.01387	0.9
97.02912	5.3
101.02425	15.9
113.02441	5.7
115.04023	1.1
119.03492	6.5
125.02403	1.2
131.03473	1.6
135.04593	0.6
139.11275	16.8
140.11720	0.7
143.03485	6.9
163.11295	0.8
179.03474	0.8
181.12309	11.5
183.10228	20.9
184.10606	1.0
191.05571	5.5
199.13344	6.3
200.13683	0.8
225.11240	7.1
241.01509	0.6
243.12325	100.0
244.12634	5.9
285.13431	1.7
315.14417	2.9
345.15594	3.3
365.36465	0.6
416.95905	0.6
435.18353	2.3
435.23193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.8
59.01371	44.1
60.01698	1.0
61.97358	1.1
69.75660	5.5
71.01379	3.9
73.02929	4.4
76.40279	1.0
83.01369	1.5
85.02935	4.8
85.76203	0.9
97.02931	2.2
101.02419	13.2
113.02428	4.0
117.19685	1.0
119.03512	1.4
131.03456	2.2
139.11267	22.9
143.03458	1.4
161.04564	1.2
166.64024	1.0
181.12299	12.6
183.10237	25.8
184.10574	1.6
191.05617	2.5
199.13367	7.3
225.11307	12.3
243.12323	100.0
244.12685	6.1
247.48569	1.0
257.13858	1.8
285.13388	18.6
286.13626	1.8
315.14404	2.3
318.92029	1.2
345.15457	35.0
346.15802	2.8
353.67197	1.0
435.18146	3.9
435.22382	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	435.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44173	26.2
59.01367	100.0
61.98816	34.9
64.59331	18.1
64.76797	19.3
71.48765	16.9
71.62332	28.5
76.48913	17.3
96.95993	38.5
100.70596	20.0
121.02908	46.0
135.04486	23.7
137.06067	44.1
182.94476	19.4
226.55873	19.3
285.46609	21.0
312.11359	21.1
435.20474	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	436.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47426	1.8
52.90885	1.5
55.82545	1.7
58.02954	6.6
59.01379	9.5
61.98825	10.7
63.99211	2.3
69.84954	1.7
71.01360	4.6
72.00896	3.5
72.99328	2.0
74.02472	10.6
82.02982	3.4
84.04539	2.9
85.02922	2.7
86.02481	14.6
87.00871	1.8
89.02452	4.5
93.03452	13.1
96.96018	2.7
97.04057	2.8
99.04530	2.8
99.05634	9.7
101.02445	3.9
101.06064	18.0
101.07156	3.0
102.05550	2.5
104.03533	16.6
105.01948	2.6
111.05634	19.6
112.04018	3.7
113.07182	6.4
125.03564	4.2
127.05100	9.1
128.03522	74.4
128.91707	1.9
129.03905	3.1
129.06686	8.7
131.08246	3.2
133.06915	18.8
135.04597	3.0
135.05644	7.1
137.02440	14.0
137.07156	2.2
141.06705	3.3
143.04602	35.1
145.06192	7.2
146.04573	9.8
153.06671	12.5
155.03481	5.4
155.04630	5.5
155.08250	2.3
165.05479	2.5
167.04608	2.5
167.08290	3.2
171.07718	3.7
173.04460	8.0
173.05664	34.8
174.06052	1.8
179.04564	16.4
181.06157	5.4
188.54518	1.9
195.06596	2.9
197.05692	11.0
210.08842	7.3
221.11838	2.4
222.08830	3.4
226.17763	1.6
233.81377	1.6
240.09866	5.7
254.07784	5.1
272.08804	3.0
284.08823	16.3
302.09885	55.4
303.10306	2.8
307.13290	7.8
331.13547	2.1
335.09787	15.3
337.09485	2.2
338.08466	6.2
349.14285	4.7
354.05679	1.7
371.86893	1.9
373.14954	4.2
406.16452	5.4
418.16614	12.6
436.17542	100.0
437.16669	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92043	0.3
59.01372	1.1
59.96942	0.3
61.98823	100.0
69.66866	1.4
69.67282	0.8
95.05023	0.6
98.19920	0.7
103.20219	0.3
112.25278	0.3
112.86085	0.4
125.02491	0.4
153.67990	0.4
154.86780	0.3
168.00618	0.3
170.97606	0.3
248.28456	0.3
422.61462	0.5
436.09521	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	436.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
61.98819	2.7
67.01880	0.5
69.03448	6.3
71.01385	0.8
80.51610	0.4
81.03445	0.7
82.02976	4.5
83.01399	0.6
85.02942	1.9
89.02412	0.7
93.03444	1.2
95.05028	0.7
99.11914	0.4
100.04035	8.3
101.02428	1.0
102.05595	5.9
106.04253	2.7
107.05014	1.6
108.02152	1.4
108.05384	0.4
108.59340	0.4
111.05866	0.4
112.04026	3.6
113.02420	1.7
116.92902	0.4
119.05016	4.6
120.04574	0.5
121.02942	77.0
122.03293	2.2
124.04008	1.0
133.02942	1.1
134.02438	0.9
134.03708	1.1
135.04501	4.5
136.03978	0.8
136.04916	0.8
137.06065	100.0
138.03297	0.6
138.05525	0.5
138.06435	2.6
139.00281	0.6
144.06647	9.7
147.04510	1.4
151.02744	1.6
151.03897	0.4
152.03496	1.6
161.02406	2.7
162.02782	0.5
162.05588	10.6
163.05962	0.6
164.03577	0.5
166.02817	0.6
166.05055	11.1
167.05460	0.5
179.03404	2.1
182.04584	2.1
184.06038	0.7
192.06628	7.4
194.08226	0.9
196.06108	11.0
197.06467	0.7
210.03952	0.5
210.09615	0.4
234.07680	12.8
235.74840	0.4
266.10303	8.8
311.09467	1.0
311.59637	0.7
340.16299	0.7
360.41559	0.5
364.13287	2.2
391.66055	3.0
392.16025	0.7
413.64813	0.5
436.15872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
59.89489	0.4
61.98820	2.2
68.05045	0.8
69.03445	6.2
70.26723	1.5
71.01363	0.9
72.04543	0.5
76.57400	0.5
81.03448	0.6
82.02968	4.1
83.01402	0.5
85.70874	0.5
89.02456	0.4
93.03458	1.4
95.04994	1.0
100.04030	8.1
101.02454	0.8
102.05592	4.9
106.04238	4.3
107.03801	0.8
107.05008	1.4
108.02164	0.8
111.58569	0.4
112.04041	2.9
113.02431	0.9
119.05009	5.1
121.02940	70.0
122.03249	2.0
124.04028	1.3
134.02467	1.0
134.03722	1.2
135.04514	2.8
136.03970	0.7
137.06062	100.0
138.05579	0.5
138.06425	3.6
144.06642	8.7
147.04515	1.0
151.02747	1.6
152.03497	1.5
161.02435	1.4
162.05577	9.4
163.06010	0.6
164.03520	0.9
166.02852	0.4
166.05063	10.9
179.03482	0.8
182.04550	1.7
192.06633	7.2
192.08218	0.8
193.06947	0.6
194.00775	0.4
194.08241	0.6
196.06134	12.6
197.06323	0.8
210.75830	0.5
234.07657	13.1
235.08214	0.7
257.17535	0.6
266.10321	8.7
267.10333	0.5
391.65912	1.0
392.16382	0.7
437.23904	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	437.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	49.0
60.14104	10.2
61.98807	14.5
69.12289	12.2
69.68746	58.9
71.01369	72.0
73.02954	20.5
85.02924	25.9
88.76832	12.7
89.02441	27.0
89.19601	10.2
99.00822	14.2
101.02412	49.6
113.02403	17.8
119.03423	13.6
161.04523	16.1
215.46342	11.8
226.43445	14.7
262.62704	13.0
269.10129	21.4
305.16211	13.0
377.18173	12.3
383.13232	14.2
401.14349	100.0
437.12299	80.0
437.20242	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55896	1.1
54.16876	1.1
56.92851	1.3
59.01368	7.0
60.99300	13.7
64.87044	1.1
71.01415	1.2
71.18040	2.9
85.02928	1.6
88.98799	100.0
89.02436	20.3
89.99168	1.4
93.16470	1.2
95.04989	2.6
101.02431	3.5
105.45377	1.2
125.09721	1.2
152.03496	1.4
245.13914	1.7
416.99356	1.3
437.16370	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	437.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35732	0.6
53.91449	0.7
55.01874	1.3
57.03431	0.7
59.01373	54.6
71.01371	9.5
71.61610	0.8
73.02944	4.8
77.11449	0.7
83.01369	3.1
85.02944	8.3
89.02421	0.8
95.01367	0.8
99.00865	2.1
100.23719	0.7
101.02439	11.9
111.00848	1.9
113.02444	4.7
115.55965	0.7
125.18124	0.8
159.02940	1.3
161.04517	1.7
171.73863	0.7
215.16461	2.1
219.20323	0.7
237.11195	0.6
377.21719	6.8
378.22067	0.9
419.22687	3.1
437.23837	100.0
438.24219	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	437.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.4
57.03439	4.5
58.00582	1.4
59.01372	33.6
61.98821	16.8
62.66026	0.4
67.01892	0.7
68.99782	0.6
69.03444	0.9
69.46253	2.9
71.01372	54.4
72.99300	2.3
73.02937	31.8
75.00880	1.7
78.95887	0.8
81.03458	0.8
83.01373	12.0
85.02936	28.2
86.00072	2.1
87.00867	3.7
89.02435	10.6
90.51405	0.4
95.01373	3.5
96.95998	3.3
97.02943	3.0
99.00866	11.7
99.04508	0.5
101.02430	56.8
102.02761	1.0
111.00865	2.3
113.02431	22.2
114.02755	0.6
115.04028	2.1
119.03496	0.8
125.02424	4.3
129.01929	1.3
131.03484	3.2
135.04515	0.6
137.06113	0.4
141.01868	0.7
141.12823	0.8
143.03467	1.8
143.14423	0.7
149.04532	1.7
159.02928	3.4
161.04532	17.8
162.04886	0.5
179.03477	0.7
187.11180	0.5
191.05608	0.9
198.38266	0.4
213.14792	0.6
219.13844	0.8
233.06622	3.1
235.95694	0.4
274.13293	0.4
293.08707	1.4
295.98984	0.5
305.19632	84.0
306.19992	6.4
311.59830	0.5
349.18530	0.5
414.85498	0.5
437.23834	100.0
438.24170	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	438.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
61.98823	100.0
63.52547	0.3
68.07475	0.4
69.48296	2.1
78.95893	4.5
89.02459	0.4
96.96009	11.0
96.96965	9.9
110.47094	0.3
113.02422	0.3
192.32320	0.3
264.78775	0.3
268.22284	0.4
307.37140	0.4
385.54269	0.3
437.86731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88939	1.3
53.23099	1.2
59.01358	3.3
61.98828	16.8
70.45538	3.7
71.01366	2.6
73.02953	1.4
74.82240	1.1
78.95887	3.6
82.95408	3.3
84.95107	2.2
85.02978	2.1
89.02439	1.9
92.25634	1.2
93.03435	2.4
96.96007	15.1
96.96959	3.5
99.04507	100.0
100.04822	2.0
111.04491	2.7
133.87027	1.2
149.02487	1.5
150.03212	7.3
151.07652	1.9
155.03497	2.8
156.79614	1.4
165.01894	3.1
165.05556	6.0
173.04506	9.2
180.04288	3.4
183.10294	1.6
191.05566	7.4
195.06560	14.2
195.39609	1.3
201.11307	16.2
243.08626	1.4
284.69263	1.2
320.58633	1.2
375.16577	39.1
375.21304	1.9
376.16696	2.4
379.19534	1.6
391.13931	1.9
438.15704	2.0
439.16660	1.8
444.02994	1.6
450.93893	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	438.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74683	0.8
59.01375	22.2
60.56118	0.9
61.98823	9.7
67.01885	3.1
70.55697	2.6
70.73642	0.9
71.01376	15.3
73.02940	1.2
83.05000	1.0
85.02946	2.6
87.00880	1.6
89.02432	19.5
93.03453	25.8
95.01353	1.2
99.04503	23.8
101.02442	8.2
111.00905	1.0
111.04503	5.8
111.38895	1.0
113.02425	5.0
119.03503	3.2
122.03688	1.2
131.03455	2.6
137.02394	5.1
143.03477	1.2
148.28000	0.9
149.02467	1.6
149.04535	7.0
150.03200	7.3
151.52232	0.9
155.03529	4.3
161.04570	1.0
165.01904	2.8
165.05557	7.4
173.04526	100.0
174.04880	4.0
179.05574	4.1
180.04257	3.3
191.05630	2.3
195.06593	10.5
201.11378	2.4
247.11848	5.3
311.61966	1.0
375.16562	41.8
376.16910	3.9
379.16058	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	439.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
79.95730	2.4
89.02419	0.4
93.75993	0.2
96.95999	100.0
97.95936	0.5
98.20378	1.9
98.95583	0.6
133.02940	1.5
135.04504	0.8
136.43571	0.3
137.54189	0.3
161.02422	7.0
162.02809	0.6
172.09036	0.3
179.03491	1.7
248.57971	0.4
254.94246	0.2
305.06033	0.3
341.08643	3.6
354.88049	0.3
407.39914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54468	0.3
59.01369	1.2
61.98814	0.3
71.01371	0.8
71.60719	0.4
78.95895	2.1
79.95717	2.2
86.29442	0.2
87.00835	0.3
89.02461	0.5
96.95997	100.0
96.96876	3.0
97.95927	0.3
98.95615	0.5
101.02401	0.4
107.97340	0.2
113.02415	0.3
119.05035	0.3
133.02052	0.3
133.02916	1.6
135.04501	0.9
137.06026	0.3
161.02422	10.0
162.02760	0.6
179.03459	2.0
215.96262	0.2
279.18246	0.3
281.06287	0.3
335.88754	0.2
337.06070	0.5
341.08713	5.1
341.12897	0.3
342.08975	0.6
379.06900	0.4
397.08261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62257	0.4
71.60987	0.7
75.00885	0.5
78.95898	37.0
79.95739	2.4
81.75940	0.4
89.02444	0.4
96.96008	100.0
96.96954	77.0
123.98695	0.4
158.67538	0.4
341.10889	1.1
439.08533	1.1
456.19296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27203	0.3
59.09164	0.4
65.29946	0.3
70.18031	1.0
70.18440	0.9
71.01365	0.5
77.98090	0.3
78.95893	45.7
79.95723	0.5
89.02433	0.7
96.95994	33.9
96.96945	100.0
98.20137	0.7
100.79638	0.3
106.37032	0.3
133.02954	0.5
135.04500	0.4
137.11934	0.4
161.02415	2.7
324.35422	0.4
341.08640	1.1
377.08972	0.4
384.15512	0.4
439.08484	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	439.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63613	0.2
54.41799	0.3
54.46220	0.2
58.81778	0.3
59.01360	1.0
59.01643	0.2
61.35443	0.3
71.01387	0.9
71.19016	0.4
78.95892	48.9
89.02436	1.0
96.96027	15.7
96.96945	100.0
179.05547	0.5
179.48416	0.3
189.84219	0.3
215.14742	0.3
251.43121	0.3
341.10800	1.4
439.08243	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	1.9
59.01372	75.7
67.01877	5.7
68.99819	11.8
69.03447	31.7
70.03305	8.2
70.03633	1.5
71.01376	50.9
72.99304	2.2
73.02938	2.3
83.01377	1.6
85.02947	8.4
87.00854	3.2
89.02435	73.0
93.03490	1.8
95.01367	4.9
95.05018	34.8
96.95988	4.8
101.02432	48.0
101.06052	2.9
111.00868	17.6
113.02431	18.6
115.07660	2.6
119.03496	27.2
119.04948	2.7
121.02940	100.0
121.06565	3.9
122.03237	2.5
123.04504	23.1
127.04011	12.2
131.03487	3.5
137.06068	2.9
139.00345	14.9
139.03958	2.8
143.03494	8.4
145.05765	1.6
147.04492	5.8
149.02426	6.1
149.04506	3.8
152.92587	1.5
153.05807	1.6
161.04561	8.9
165.05551	20.4
179.05580	48.3
179.07114	11.4
180.48077	1.7
181.05035	5.3
191.03419	4.0
223.06088	42.3
224.06343	2.5
227.43742	1.8
233.98586	1.7
262.38629	1.8
269.88266	1.8
333.07935	1.8
371.09760	49.9
372.10144	5.7
388.01746	1.9
403.12396	44.1
404.12787	3.5
439.18002	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21659	2.6
57.02108	2.9
59.01371	18.3
61.98820	7.2
69.48598	11.0
69.49031	9.8
71.01371	8.7
78.95896	48.8
84.95112	3.3
85.02930	6.1
89.02428	12.4
96.95995	100.0
96.96947	79.2
98.02444	4.6
101.02428	8.1
111.00815	3.2
113.02467	6.6
121.02968	3.8
122.03733	5.3
126.13517	3.1
137.02470	4.9
144.95544	2.8
149.02382	16.4
150.03218	50.7
161.04482	3.9
161.17061	2.8
164.04753	5.3
165.01895	24.6
165.05544	60.6
179.03421	4.7
180.04285	26.9
189.11345	4.8
191.05576	3.3
195.06599	92.4
196.06812	4.1
215.07092	3.9
243.08644	6.8
253.89542	2.7
331.11823	8.4
379.19644	10.3
391.13916	11.8
439.09915	6.8
439.17416	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	439.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76741	0.8
52.76933	0.8
59.01375	6.6
61.98835	0.9
69.89548	2.1
69.89970	3.3
71.01379	9.3
73.02915	2.4
74.83218	0.8
85.02930	3.4
89.02430	3.5
93.03432	3.3
94.07946	0.9
95.01405	1.3
96.96005	6.6
99.00844	1.1
101.02419	5.2
106.15931	0.8
107.05006	0.9
109.02926	0.8
111.00931	1.0
113.02424	3.1
119.03465	1.0
121.02935	2.4
122.03725	8.3
123.04547	1.0
135.04517	2.0
137.02396	4.0
149.02426	19.4
150.03210	51.9
151.03767	1.5
161.02348	1.1
161.04509	2.9
164.04749	5.3
165.00505	1.3
165.01909	29.4
165.05545	55.6
166.02293	1.2
166.05882	2.4
173.04488	1.6
180.04274	24.5
181.04881	0.9
189.11232	1.8
195.06595	100.0
196.06969	4.0
243.08690	6.3
244.08879	1.0
247.11829	3.4
301.07172	1.6
315.08606	1.0
316.09320	2.4
331.11749	7.5
331.76324	1.0
379.16058	18.2
379.20804	1.1
380.16122	1.7
391.13947	16.4
392.14352	1.6
439.17270	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	439.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56710	0.6
55.62346	0.5
59.01358	2.1
69.88071	1.0
69.88490	1.9
71.01369	0.9
80.11883	0.4
89.02438	0.5
93.03430	1.8
93.79286	0.5
98.20591	1.1
121.02940	2.4
122.03726	7.3
126.36295	0.5
133.03015	1.0
137.02405	4.5
137.05952	0.5
138.03255	0.5
149.01236	1.1
149.02423	21.0
150.03206	54.3
151.03761	1.8
158.02454	0.5
164.04762	4.9
165.01915	25.1
165.05544	55.8
165.49123	0.6
166.02295	1.1
166.05913	2.5
173.04483	0.9
179.03481	0.7
180.04256	22.2
181.04747	0.7
183.06384	0.7
195.06595	100.0
196.06917	5.1
196.86691	0.5
234.14328	0.6
243.08713	4.0
273.07532	0.9
291.89795	0.6
301.07135	2.0
316.09442	1.9
331.11865	9.0
332.12265	0.7
391.13937	17.7
392.14297	1.7
439.16159	5.0
440.16626	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91291	0.5
59.01372	9.8
61.98835	1.0
69.03458	0.7
69.63207	3.5
71.01373	4.8
81.96231	0.4
85.02928	1.5
88.98785	1.0
89.02433	7.2
93.03460	2.0
95.01365	0.7
96.96014	1.3
101.02439	4.5
103.70937	0.4
113.02440	1.6
119.03485	2.5
121.02949	3.0
122.03720	7.5
124.43336	0.5
127.05857	0.6
131.03502	0.7
133.02956	0.8
136.01614	0.8
137.02399	2.3
149.02423	11.0
149.04440	0.8
150.03206	59.2
151.03595	2.0
161.04515	1.0
164.04782	1.9
165.01903	21.5
165.05544	66.5
166.05881	2.0
179.05580	2.0
180.04253	19.9
181.04816	0.9
195.06592	100.0
196.06966	5.2
223.06053	1.6
243.08626	1.4
247.11778	1.5
282.60754	0.6
331.11810	0.7
379.16052	3.6
391.14026	0.8
414.56784	0.6
439.16144	2.2
452.28073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68805	1.5
59.01373	100.0
60.01707	2.1
61.98826	16.0
67.01886	4.1
68.99814	3.6
69.03460	5.5
71.01376	13.5
73.02943	5.4
77.05093	1.9
83.01385	4.4
85.02928	4.9
89.02426	9.5
95.05023	5.8
96.95991	5.2
97.02977	2.3
99.04509	7.1
101.02429	21.4
106.18855	1.7
111.00886	8.9
113.02435	5.0
119.03472	5.2
119.05008	4.1
121.02939	5.7
125.02415	2.2
127.03982	3.4
134.03615	2.0
143.03494	1.8
143.08681	2.3
145.02936	4.4
145.52841	2.2
159.11761	6.7
161.02353	2.3
163.04012	7.5
179.03424	2.0
181.05028	6.6
184.91692	1.8
185.09692	2.3
203.10765	15.9
204.11017	2.0
211.13554	2.4
213.07657	6.2
227.10654	2.9
247.09727	13.6
259.09753	3.8
271.09653	4.0
284.11331	2.8
291.08655	7.1
301.39056	1.9
349.12704	3.1
440.14178	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	439.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	69.7
61.34225	2.7
63.08190	2.4
69.26163	5.7
69.26575	20.3
71.00992	3.9
71.01373	52.1
73.02924	11.1
73.03296	2.5
85.02943	6.5
89.01905	5.4
89.02435	82.3
93.79453	2.6
95.01376	4.2
99.00867	11.9
101.02428	32.9
113.02444	14.8
119.03493	17.8
121.01713	3.2
131.03468	9.9
149.04533	30.5
150.03188	5.1
165.01860	2.7
165.05574	4.5
179.05568	5.5
180.33133	2.7
190.00763	4.5
191.05525	7.0
195.06572	9.0
205.03297	3.9
206.30710	2.9
247.11896	6.1
273.39575	3.0
280.52817	3.2
304.98978	3.9
334.52405	2.9
376.16736	4.5
379.16010	100.0
380.16321	7.7
388.48135	2.6
388.70682	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	439.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26615	2.2
53.49314	1.8
59.01374	100.0
60.33506	2.2
69.67798	8.5
69.68204	4.9
71.01376	59.8
72.99285	4.2
73.02940	6.8
75.13759	1.8
85.02943	10.9
87.00835	2.5
89.02434	90.6
96.95986	2.0
101.02436	38.5
113.02441	21.5
119.03472	25.4
122.03760	3.3
126.02137	1.8
129.35410	1.8
131.03476	13.1
136.77957	2.0
143.03511	3.5
149.02434	5.7
149.04517	33.8
150.03217	33.2
150.56131	2.2
161.04510	7.3
165.01912	10.1
165.05562	38.3
179.05595	28.0
180.04285	11.6
185.93428	2.2
191.05630	4.8
195.06593	50.8
195.08296	3.9
196.06914	2.8
247.11801	17.8
379.16040	64.4
379.20926	3.9
380.16312	6.4
424.40182	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	439.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	69.7
61.34225	2.7
63.08190	2.4
69.26163	5.7
69.26575	20.3
71.00992	3.9
71.01373	52.1
73.02924	11.1
73.03296	2.5
85.02943	6.5
89.01905	5.4
89.02435	82.3
93.79453	2.6
95.01376	4.2
99.00867	11.9
101.02428	32.9
113.02444	14.8
119.03493	17.8
121.01713	3.2
131.03468	9.9
149.04533	30.5
150.03188	5.1
165.01860	2.7
165.05574	4.5
179.05568	5.5
180.33133	2.7
190.00763	4.5
191.05525	7.0
195.06572	9.0
205.03297	3.9
206.30710	2.9
247.11896	6.1
273.39575	3.0
280.52817	3.2
304.98978	3.9
334.52405	2.9
376.16736	4.5
379.16010	100.0
380.16321	7.7
388.48135	2.6
388.70682	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	439.197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51006	0.4
57.03430	1.3
59.01096	0.6
59.01377	10.6
60.99294	0.4
61.98822	4.0
67.01886	4.5
69.03439	1.7
71.01373	3.4
71.05004	0.4
71.53201	0.6
73.02943	3.7
77.58299	0.4
78.95892	0.5
81.03432	0.5
83.05000	0.9
85.02923	1.1
87.00862	0.6
89.02425	0.8
93.03453	23.5
94.03788	0.5
96.95986	0.7
96.96975	0.6
99.04485	0.5
101.02448	1.0
104.26010	0.4
109.02955	0.8
111.00864	2.0
111.04498	4.0
113.02458	1.0
115.07635	2.8
121.02921	0.6
121.40696	0.4
127.04009	0.9
132.15405	0.4
137.02428	4.5
155.03493	4.6
161.02402	0.5
173.04526	100.0
174.04816	3.5
177.16461	0.7
179.03418	0.6
182.63104	0.5
192.24141	0.5
203.14484	0.6
213.07597	0.6
221.15433	11.7
221.17447	0.9
222.15871	1.0
247.09590	0.9
265.14355	1.6
266.10294	0.6
291.08731	0.7
298.61514	0.4
309.79868	0.5
335.59479	0.4
403.15686	0.5
439.19647	12.6
440.20230	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54512	0.8
57.03439	1.0
59.01376	9.3
61.98809	3.5
71.01381	2.9
71.61422	0.8
72.83920	0.7
74.02434	1.3
81.03422	1.0
89.02444	4.2
90.07002	0.9
91.03999	11.3
95.34828	0.8
96.96023	1.4
99.93665	0.8
101.02456	1.3
116.05060	0.9
122.46946	0.7
125.09648	0.9
171.10149	1.0
179.14438	1.5
195.13879	6.5
199.25504	0.8
205.12279	1.1
207.88432	0.9
211.13304	1.4
215.64096	0.8
223.13411	5.4
226.44896	0.8
227.06670	2.1
235.16989	3.8
256.13293	1.3
258.04648	0.9
261.05533	1.2
275.20154	12.2
293.21185	100.0
294.21570	8.4
317.26416	0.9
373.24075	0.9
383.73987	0.8
409.25732	1.6
439.21555	1.3
439.27002	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	439.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01704	0.6
61.98824	8.9
69.35988	3.2
69.36399	0.6
71.01376	5.2
73.02943	1.5
85.02940	2.3
87.00925	0.4
89.02443	2.0
93.11693	0.4
94.11302	0.4
96.05251	0.4
96.96020	0.5
98.20578	0.9
99.00869	0.5
101.02444	3.6
113.02422	2.5
113.70245	0.4
119.03506	0.7
119.04984	0.5
135.04544	0.9
145.02954	1.0
147.04469	0.5
161.04562	1.5
163.03944	1.0
173.04514	0.5
179.03409	1.0
258.06351	0.5
360.06430	0.4
376.18576	0.5
382.56207	0.5
397.22357	0.7
423.37781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
58.00578	1.1
59.01372	9.8
61.43563	1.0
69.58581	7.0
71.01379	25.2
72.99310	1.3
73.02928	1.9
75.00860	5.1
83.01399	1.1
83.96525	1.0
85.02940	5.5
89.02426	4.8
95.01380	1.9
96.83733	0.9
101.02451	5.9
112.36092	1.0
113.02431	10.2
122.83902	0.9
125.02415	1.0
213.70483	1.0
277.21689	100.0
278.22073	7.1
287.23676	1.3
291.23157	3.2
301.21692	3.4
319.22690	13.6
320.23077	2.0
331.22687	3.5
349.23712	1.8
412.01447	1.0
439.32373	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	440.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09078	0.3
59.01370	4.8
61.98822	100.0
67.85992	0.4
69.36656	0.6
69.37018	3.3
98.19835	0.8
101.02444	0.4
123.60306	0.4
275.09549	0.4
282.29968	0.4
285.04053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74961	0.3
53.76118	0.3
55.59989	0.3
57.41830	0.3
57.56521	0.3
58.46869	0.3
59.01368	4.4
61.98823	100.0
64.57664	0.3
68.20036	0.3
71.01395	0.4
73.02911	0.4
77.63540	0.3
85.02969	0.4
95.05026	1.1
96.85491	0.3
101.02412	0.8
111.00883	1.1
113.02413	0.4
127.04014	0.4
136.55885	0.3
138.23396	0.3
139.00348	0.4
139.04007	0.6
149.02412	0.4
153.91344	0.3
253.47531	0.4
275.06378	0.3
275.09360	1.1
286.73587	0.3
307.08206	1.0
439.32101	0.6
440.32587	0.5
458.62289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00356	0.5
58.46352	0.4
59.01371	3.8
61.98821	100.0
62.42776	0.5
66.56188	0.5
69.65170	2.6
69.65582	0.9
71.01369	0.6
75.44617	0.4
81.03467	1.0
82.87622	0.4
96.96020	1.0
98.19926	1.1
99.92621	0.8
115.92080	2.0
116.92857	0.6
125.02445	0.8
131.82497	0.5
137.02425	0.6
147.56590	0.5
241.14485	0.8
293.21292	1.8
333.20798	0.7
394.81732	0.5
439.27548	0.6
440.08508	0.9
440.27603	2.0
441.08905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03176	1.8
59.01371	38.5
61.98826	4.8
71.01363	29.3
71.31557	2.3
71.31871	2.7
73.02934	3.8
75.00887	2.3
76.74928	2.0
77.54189	2.0
78.95891	32.8
83.01370	2.1
85.02918	9.8
87.00858	4.8
89.02434	43.4
93.03441	5.0
95.01331	2.0
96.95987	100.0
96.96938	74.8
97.02885	2.3
98.95577	11.1
98.96393	2.0
98.97392	2.7
99.00860	4.6
101.02433	14.8
113.02464	10.1
119.03497	12.6
119.05003	2.8
120.99638	2.4
131.03516	4.2
134.03702	8.8
143.03418	4.0
147.06613	2.9
149.04514	5.8
149.06024	3.5
161.04497	6.8
165.01855	4.0
166.59787	2.1
173.04524	10.1
179.05617	28.3
191.05576	20.8
195.06581	2.8
219.61086	2.1
267.08710	9.6
381.13864	7.8
428.69168	2.3
441.10547	4.0
441.16196	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	441.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
60.30728	0.4
61.98841	0.6
63.69355	0.4
64.23927	0.3
66.41536	0.3
67.01884	0.6
69.03455	0.4
69.94315	1.5
71.01385	1.3
73.02940	0.5
79.48085	0.4
79.95747	1.1
80.83545	0.4
81.67193	0.4
83.05019	1.1
85.02937	0.7
87.00874	0.7
88.98811	0.6
89.02453	0.6
93.03445	4.8
96.96001	40.6
98.95563	0.6
101.02412	0.9
109.02944	0.5
111.04506	3.3
113.02451	0.7
115.92104	0.4
119.05022	1.8
121.02964	0.6
127.03894	0.5
133.02969	1.2
134.03726	94.5
135.04126	3.0
136.01642	2.7
137.02402	1.5
147.04480	1.8
148.05338	0.5
149.06067	59.7
150.06430	2.8
153.05545	2.2
155.03514	4.0
161.02429	1.2
163.04097	0.6
165.05696	0.4
173.04539	12.3
173.06012	0.8
176.25189	0.4
179.03542	0.8
191.05603	1.0
192.04263	4.7
193.04982	1.6
208.07378	1.0
246.79362	0.4
267.08704	100.0
268.09000	7.1
279.14810	0.4
343.10202	1.1
441.13953	8.2
441.19583	0.9
442.14346	1.0
457.92682	0.4
466.86682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30211	1.6
55.01869	2.5
55.05426	1.7
57.03433	3.3
59.01094	2.1
59.01376	36.0
61.98803	5.5
69.03454	2.0
69.47328	14.5
71.00990	2.9
71.01379	58.0
73.02937	15.4
75.00879	2.2
78.95890	7.2
83.01379	8.4
85.02943	25.5
86.00074	3.6
87.00876	12.2
89.02430	23.1
89.51482	1.7
93.03468	3.2
95.01375	6.2
96.96006	38.8
96.96930	13.1
97.02930	3.5
98.20596	3.3
98.95573	3.5
99.00898	8.7
101.02433	46.1
106.34554	1.8
110.21995	1.8
111.00848	2.9
113.02443	22.5
119.03469	2.8
125.02424	5.2
128.06378	1.7
131.03487	5.4
134.03670	7.2
143.03448	4.3
148.05289	1.9
149.04497	5.5
149.06020	4.0
159.03004	4.6
159.06630	11.8
161.04555	32.2
173.04533	14.0
179.05595	2.5
191.05609	3.3
195.06503	2.6
233.06425	2.5
249.09755	58.9
267.08664	7.5
293.08649	2.5
309.12000	2.6
381.13937	100.0
382.14328	6.1
441.10245	2.4
441.15973	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	441.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70792	0.7
55.48717	0.8
57.03423	0.8
59.01090	1.4
59.01373	24.4
61.36313	1.0
61.98825	31.6
63.75951	0.7
63.93030	0.7
71.01374	1.2
73.02927	2.9
79.58832	0.8
94.02950	1.3
96.95989	2.5
98.19835	2.6
99.57556	0.8
101.02431	1.6
101.09339	0.8
105.80244	0.8
112.01283	0.8
116.05050	37.5
118.06655	1.1
123.04495	3.0
124.04053	6.6
130.06570	1.0
134.03673	1.0
135.04500	1.6
138.05602	1.4
141.04590	0.9
142.06606	65.1
143.07027	1.9
144.04494	1.3
148.04070	1.1
149.06053	12.7
150.05569	3.8
154.05373	5.1
161.04750	1.4
162.05551	3.6
163.03941	1.0
166.06551	1.3
167.06122	3.5
168.08133	5.9
168.28836	0.8
176.07149	10.9
178.06604	1.9
179.03510	1.5
179.05959	1.7
184.07634	2.2
186.05652	1.1
186.09142	1.6
194.08237	8.4
203.08153	3.8
210.78435	1.0
218.08145	2.7
219.09189	5.4
220.07617	1.5
230.12732	1.1
231.09265	1.6
232.06400	1.4
236.09200	2.8
245.10774	2.8
247.08675	11.7
248.09023	1.7
251.08235	8.5
258.08060	1.4
265.09781	2.0
273.10315	9.5
279.11398	8.2
291.11292	2.4
305.12909	26.7
306.13181	1.8
311.09174	0.9
323.13947	100.0
324.14319	8.8
430.12668	0.8
441.21808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56127	0.9
55.01866	1.9
57.03444	2.5
58.00577	3.7
59.01372	100.0
67.39374	0.9
69.26431	9.0
71.01370	62.2
72.99301	4.8
73.02922	3.5
73.80849	0.9
81.03437	1.1
82.23196	1.1
83.01379	4.4
85.02940	13.9
87.00864	2.7
89.02431	54.9
95.01394	5.2
97.02944	1.4
99.00857	1.6
101.02431	34.8
109.02914	7.8
111.00892	0.9
111.04463	1.0
113.02438	23.0
119.03479	29.2
121.06568	1.3
122.03712	1.3
123.04508	1.0
124.05291	1.5
131.03467	2.6
133.06577	15.9
135.04530	3.3
137.06029	1.6
139.07620	13.7
143.03471	2.8
145.02904	1.4
146.60080	0.9
147.04520	2.8
147.08044	1.0
149.04546	1.7
149.06056	3.6
150.06805	0.9
151.07597	1.0
161.04565	7.7
161.05913	1.4
163.03995	2.2
163.07613	1.0
169.08694	2.4
173.04448	1.1
179.03297	0.8
179.05476	4.6
187.11285	1.8
202.09885	1.1
204.11548	1.6
205.12329	5.1
217.12270	5.0
235.13348	2.6
295.10336	3.0
330.13104	24.9
331.13898	18.7
332.14658	1.2
397.18796	4.7
409.51385	0.9
441.17603	96.5
442.17844	9.8
449.78430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03496	0.8
57.03454	1.2
58.00582	0.8
59.01374	100.0
61.98827	37.0
66.69144	0.6
68.13311	0.6
69.62582	2.3
69.63016	1.7
71.01376	13.1
72.99305	0.8
73.02949	6.5
75.00870	0.8
78.95927	0.7
81.03460	1.1
81.07107	1.1
83.01393	1.8
85.02945	5.8
87.00890	0.9
89.02429	2.9
93.03403	0.6
95.01409	1.2
96.96006	13.4
97.02956	2.7
99.00880	0.9
99.04515	2.2
101.02441	15.2
113.02430	7.7
113.06073	0.7
119.03490	2.8
121.06541	0.6
125.02412	1.1
127.50926	0.6
131.03479	1.2
135.04550	1.5
143.03502	3.0
151.88066	0.7
161.04536	4.6
161.13358	5.7
173.04565	2.5
174.09888	0.6
175.02361	0.7
177.56432	0.6
184.54410	0.5
187.11259	6.5
191.05591	1.9
201.12881	0.8
205.12300	12.6
206.12704	1.3
207.52202	0.7
213.14981	1.6
229.12407	1.2
233.11882	0.7
248.37433	0.8
249.11272	42.3
250.11684	2.6
259.13419	1.3
291.12357	3.5
321.13361	4.7
351.14371	4.7
399.23920	3.7
441.21490	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	441.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
59.01371	84.1
61.98824	37.6
63.77782	1.8
69.40863	13.0
69.41273	3.1
71.01373	27.4
71.09367	1.9
73.02946	13.1
75.00862	3.0
75.15853	1.8
79.05531	5.5
81.03461	4.7
83.01402	5.4
83.05008	2.2
85.02940	6.5
87.00848	2.7
89.02438	12.1
93.42519	2.0
93.88678	2.1
94.49607	2.2
95.04992	3.6
96.95999	100.0
97.02947	9.7
98.13171	1.9
99.00897	2.3
99.04507	5.7
101.02433	40.9
107.05027	5.5
113.02422	13.0
115.04045	2.6
118.44783	2.1
119.03485	8.4
120.05772	7.0
121.06553	3.7
123.04492	6.0
125.06096	3.1
135.04466	3.3
143.03476	11.6
152.04742	2.5
161.13321	11.9
173.04576	4.3
173.13385	2.9
185.09700	2.4
185.13263	4.8
187.11272	21.2
191.05586	5.6
197.13406	2.9
199.11203	2.5
201.12813	7.0
201.62871	2.0
205.12305	54.2
206.12666	5.3
215.14343	6.0
217.12236	3.5
219.13939	3.4
229.12285	60.7
243.10107	2.4
247.13342	6.1
249.08911	3.9
249.11282	47.3
250.11758	3.6
259.13287	8.9
287.22375	2.3
291.12366	7.2
303.12305	2.6
321.13428	6.0
351.14432	9.3
359.53592	2.2
361.13022	2.2
367.17920	3.7
387.10687	5.7
389.18729	2.1
391.38193	2.2
405.11810	12.8
441.21588	61.8
442.21829	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	441.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86741	1.4
57.03431	1.9
59.01371	35.4
61.98822	100.0
69.03436	1.9
71.01377	23.4
72.99271	2.1
73.02943	12.1
75.00858	2.0
78.95872	2.2
79.05516	2.7
81.03448	3.8
83.01385	4.0
83.05025	1.6
85.02928	6.8
87.00838	3.6
88.04021	3.9
89.02437	10.1
93.03451	2.2
94.98071	1.7
95.01393	2.0
95.04998	2.5
96.96032	3.4
97.02930	10.3
99.04505	4.5
101.02436	41.1
107.05009	2.4
113.02418	11.1
115.00365	2.7
119.03500	10.7
120.05801	2.6
123.08244	1.8
124.15356	1.3
135.04521	2.2
143.03468	12.4
149.04539	1.5
149.69545	1.6
161.02477	1.8
161.13367	9.5
165.87482	1.4
173.04565	3.6
175.02454	6.8
179.03406	3.5
185.13365	2.4
185.41005	1.4
187.11244	8.8
191.05612	12.6
191.49255	1.5
201.12750	1.7
203.10689	1.8
205.10493	2.6
205.12309	36.1
206.12607	3.8
213.14882	2.5
215.14337	3.0
221.11760	3.8
229.12296	15.0
230.12448	1.8
247.13318	1.9
249.11278	58.6
250.11339	3.2
259.13257	2.3
265.10846	4.1
277.14178	1.8
284.11145	3.5
291.12204	2.6
312.54190	1.7
321.13345	6.0
351.14392	6.0
442.24277	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96674	3.6
59.01366	13.0
61.98825	17.3
69.49726	29.2
71.01365	6.7
75.00839	6.2
89.02443	6.7
91.72715	4.5
93.03451	15.5
96.95999	100.0
96.96925	6.6
101.02419	7.1
113.02435	6.8
114.69679	4.9
128.90028	4.3
133.02917	5.8
134.03688	12.4
148.05327	5.1
149.06200	4.9
160.05241	12.7
173.04599	35.2
178.06377	7.2
191.05547	10.4
219.06551	4.5
249.07709	9.4
267.08670	42.8
305.68832	4.0
348.35419	3.9
441.19122	72.9
442.19397	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	441.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40335	1.0
53.13352	1.1
55.01875	2.0
57.03443	2.1
57.46596	0.9
57.66099	0.9
59.01375	17.6
61.98827	1.7
68.63181	0.9
70.57244	3.6
71.01375	26.0
72.01707	1.4
72.99301	1.4
73.02936	13.6
75.00837	1.1
82.95556	0.9
83.01376	6.0
85.02944	15.3
87.00877	2.0
89.02440	7.7
91.51459	1.0
95.01377	3.0
96.95997	1.8
97.02926	1.0
99.00864	6.2
101.02427	32.5
113.02441	13.0
119.03525	1.2
119.05025	4.6
120.99628	1.5
125.02415	1.0
131.03554	1.3
133.02910	2.2
135.04515	4.4
143.03477	2.0
145.02951	4.6
159.03020	1.9
161.02463	7.7
161.04515	11.6
161.55014	1.0
163.03986	3.4
173.04558	1.5
191.05597	1.6
205.95602	1.0
249.13405	42.0
250.13814	3.4
309.18103	1.9
381.17581	100.0
382.17917	7.4
383.73114	1.1
441.13959	3.0
441.22256	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	441.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22392	0.2
55.73461	0.3
57.03442	0.5
59.01373	100.0
60.01704	0.8
61.98819	2.4
71.01373	4.8
73.02930	1.6
73.14827	0.2
83.01384	0.9
85.02938	2.2
89.02419	1.7
90.58268	0.2
95.01370	0.7
95.04988	0.3
95.99440	0.3
99.00875	0.5
101.02436	2.9
109.36106	0.3
113.02446	2.4
119.03471	0.7
136.07024	0.3
137.29156	0.3
161.04536	2.3
173.04611	0.5
219.17526	2.0
224.38074	0.3
399.23697	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	441.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33609	0.5
57.03442	0.7
58.00569	0.9
58.80495	0.5
59.01373	100.0
59.75769	0.6
60.01719	0.8
61.98823	16.2
64.46935	0.4
69.03448	1.2
71.01377	15.4
71.61643	0.5
72.99323	1.0
73.02937	14.4
75.00890	0.7
81.03432	0.6
83.01383	4.6
85.02940	3.1
87.00877	2.7
89.02419	3.6
93.03464	1.1
95.01357	0.6
96.96013	0.6
99.00913	0.6
101.02428	11.3
104.93876	0.4
108.02163	0.5
111.00931	0.7
111.08150	0.7
112.98554	0.6
113.02435	5.7
116.05070	1.4
119.03532	1.1
119.94205	0.5
121.02987	0.5
125.02402	0.5
127.07636	2.3
131.03522	1.1
135.04561	0.9
143.03474	0.7
147.03003	1.3
151.02798	0.5
152.10773	0.5
161.02470	1.3
161.04570	2.0
164.07162	0.5
165.12799	2.8
173.04524	4.0
179.03444	1.3
213.14980	1.5
223.13387	0.9
223.17104	0.6
241.14406	5.2
253.14490	1.5
259.13409	1.1
267.15994	0.6
276.42645	0.5
277.14438	2.3
293.21216	12.5
294.21606	1.4
315.19537	1.0
326.10089	0.8
333.20624	3.4
334.20740	0.6
345.20779	0.7
351.21625	1.1
399.23883	0.7
400.24124	0.8
437.10275	0.5
441.21292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06747	0.2
55.01877	0.3
59.01372	100.0
60.01707	0.8
61.98820	8.8
62.70921	0.3
64.45618	0.2
71.01371	4.6
73.02938	1.7
75.09876	0.3
83.01402	0.6
84.12000	0.2
85.02934	1.9
89.02430	1.5
97.02973	0.3
99.00858	0.8
101.02439	2.5
108.29824	0.3
113.02448	2.4
114.97316	0.3
119.03496	0.4
135.04520	0.4
135.77960	0.3
142.06618	0.4
143.03500	0.3
159.02927	0.3
160.54233	0.3
161.04498	1.8
209.10110	0.3
209.11928	1.2
252.56651	0.3
289.29285	0.3
323.14188	0.4
352.65829	0.3
380.36111	0.3
399.24045	0.6
404.14633	0.5
441.22485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2488
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.65683	0.2
54.19059	0.2
55.01866	0.4
55.61241	0.2
57.03433	0.5
58.00579	0.2
59.01373	100.0
60.01708	0.9
61.98822	1.7
69.76097	0.9
71.01374	5.6
71.01762	0.3
72.99308	0.2
73.02943	1.7
83.01382	0.7
85.02939	2.3
87.00922	0.2
89.02433	2.1
95.01395	0.4
98.19743	0.2
99.00903	0.6
101.02431	2.8
111.62566	0.2
113.02439	2.7
119.03494	0.7
131.03481	0.2
143.03508	0.3
159.02998	0.2
161.04553	1.8
173.04550	0.4
179.03505	0.2
179.05615	0.2
199.51175	0.2
320.94055	0.2
381.22855	0.2
399.24005	0.7
441.21280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86948	0.3
55.01873	0.4
58.00585	0.8
59.01371	100.0
60.01701	0.6
61.98825	2.8
69.03458	0.9
69.46436	2.5
69.46852	0.8
71.01373	22.6
73.02937	36.0
74.03262	0.4
75.00878	0.7
83.01376	8.5
85.02940	3.7
87.00862	0.6
89.02438	6.6
95.01398	1.1
95.30608	0.4
97.02924	0.6
99.00895	0.6
99.31391	0.4
101.02431	27.4
102.02785	0.5
103.47787	0.3
113.02425	10.0
119.03484	2.6
125.02447	1.1
127.05416	0.3
131.03496	1.8
135.04539	0.5
143.03517	1.5
149.04561	1.1
155.03525	0.6
161.04538	3.9
186.40594	0.4
237.23886	0.4
251.32980	0.4
323.02136	0.4
441.28683	0.8
455.24222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2488
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
53.29229	0.2
55.01864	0.4
55.63918	0.2
57.03448	0.5
58.00583	0.3
59.01373	100.0
60.01711	0.9
61.98827	1.7
70.35374	0.6
71.01373	9.4
72.99284	0.2
73.02938	4.7
74.62632	0.1
75.00881	0.6
82.12772	0.2
83.01370	1.3
83.05025	0.3
85.02941	3.1
87.00864	0.3
87.04536	0.2
89.02435	2.8
95.01384	0.6
99.00867	1.1
101.02433	5.3
101.03069	0.4
113.02434	2.9
119.03469	1.2
121.31159	0.2
125.02446	0.2
128.99055	0.2
143.03506	0.6
151.11298	0.6
159.03020	0.3
161.04559	2.5
179.05554	0.3
201.08853	0.2
237.18452	0.2
289.18170	0.2
297.20703	0.2
321.20660	0.3
384.03217	0.2
399.23764	0.9
421.95581	0.2
426.22183	0.2
441.28555	0.3
441.33661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10992	0.3
57.03445	0.3
58.00561	0.3
59.01371	100.0
60.01702	1.0
61.98821	24.9
69.03464	0.3
69.46310	0.3
69.62223	2.1
71.01370	6.1
72.99302	0.4
73.02941	5.7
75.00890	0.4
83.01389	1.4
85.02950	1.5
87.00866	0.4
89.02428	3.0
94.02924	0.3
95.01402	0.4
96.96026	1.6
101.02431	5.3
111.00874	0.4
113.02434	3.8
116.05060	5.4
117.57652	0.3
119.03502	0.8
123.04521	0.5
124.04070	0.9
131.03517	0.6
135.04520	0.9
142.06606	8.4
143.03563	0.4
143.06981	0.5
149.04901	0.4
149.06041	1.8
150.05597	0.9
154.05385	0.6
161.02464	1.3
161.04561	0.9
162.05681	0.5
167.06079	0.4
168.08234	1.0
176.07181	1.5
179.03519	1.2
179.05554	0.6
187.03912	0.3
194.08243	1.4
203.08223	0.5
219.09273	0.7
236.09328	0.6
247.08835	1.1
251.08234	1.3
265.09995	0.4
273.10330	1.2
279.11411	1.1
291.11279	0.3
305.12891	3.8
306.13174	0.5
323.13943	13.2
324.14294	1.1
367.83331	0.4
419.66919	0.5
441.21027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01871	0.3
59.01374	100.0
60.01717	0.9
60.16135	0.2
61.98824	5.3
63.27242	0.3
64.06332	0.2
66.16666	0.2
71.01373	4.9
73.02939	1.8
79.97276	0.2
83.01395	0.4
83.55163	0.3
84.95226	0.3
85.02940	2.1
89.02451	1.1
95.01380	0.2
95.05025	0.4
98.19836	0.5
99.00869	0.5
101.02439	3.1
111.00880	0.3
113.02439	1.8
119.03509	0.6
128.70410	0.3
143.03581	0.4
159.02988	0.3
161.04535	2.4
173.04535	0.4
186.45663	0.2
194.62225	0.2
198.91077	0.2
201.16472	0.2
218.70346	0.2
219.17488	1.9
220.17606	0.2
237.18541	0.6
267.01245	0.3
270.85739	0.3
399.23825	2.0
449.95853	0.3
461.17032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
61.98814	2.9
66.19819	1.7
66.96445	1.7
68.56182	1.8
69.49890	13.2
71.01389	2.4
73.02949	2.3
85.02946	3.2
88.17224	2.0
88.76402	1.9
96.66868	1.9
101.02438	3.7
101.65141	2.1
110.15117	1.9
131.03436	2.0
148.44661	1.9
161.04549	20.2
257.34814	2.1
266.51648	2.5
279.23245	100.0
280.23523	4.5
280.53812	2.0
441.25897	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	441.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67831	0.4
59.01362	1.7
66.57011	0.4
69.42519	0.4
71.01365	1.0
71.61417	0.7
71.61780	0.6
76.19926	0.4
85.02942	0.8
89.02466	0.4
94.23811	0.5
101.02433	1.7
125.95326	0.5
131.03568	0.6
145.04959	0.5
163.06113	3.1
171.10243	1.0
277.21683	100.0
278.22031	7.2
285.20621	0.6
441.32208	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	441.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01738	0.3
59.01371	1.9
61.98813	0.6
71.01397	1.0
71.19550	0.7
85.02943	0.5
101.02419	1.7
131.03477	0.4
163.06036	2.4
171.10283	0.8
173.11783	1.2
222.02232	0.4
240.95000	0.4
275.19925	0.4
277.21680	100.0
278.22021	7.0
285.20685	1.6
441.32956	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	441.3365
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
59.01368	2.9
61.98811	1.0
71.05014	8.4
71.62207	0.5
87.08690	0.3
97.06599	0.5
117.65037	0.3
164.96353	1.2
217.00262	0.7
220.14680	0.4
221.15405	0.5
230.13177	0.5
247.16942	0.6
256.14615	0.4
325.21649	1.1
339.23160	3.5
340.23672	0.5
341.24777	17.2
342.25076	1.5
351.23178	0.6
353.25021	1.0
355.26328	0.9
357.27841	4.1
369.27975	2.6
379.26416	0.5
381.27881	0.7
397.30560	0.3
405.28543	0.3
421.27161	0.5
423.28925	2.0
423.32953	1.4
425.30542	11.0
426.30829	1.4
441.33667	100.0
442.34006	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	441.3366
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
59.01360	0.8
61.98840	0.6
69.03449	1.7
69.88708	2.8
71.05013	1.1
79.95758	0.8
85.06580	0.7
89.57591	0.5
89.79976	0.5
95.04998	0.6
96.95995	10.7
97.06567	3.0
106.15511	0.5
106.93014	0.5
109.06560	0.7
111.08144	2.6
122.97615	0.6
146.07083	0.5
189.12831	7.6
191.12709	1.0
191.14383	14.6
251.53682	0.6
269.77103	0.6
273.18521	1.3
288.84369	0.6
289.21686	1.5
367.26434	1.2
389.28540	0.8
403.30319	0.7
405.31790	1.2
407.29443	1.5
421.31113	3.2
422.31320	0.7
423.32608	13.1
424.32901	2.0
439.32040	1.7
441.25262	10.8
441.33640	100.0
442.25464	1.1
442.33981	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	442.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02061	0.5
59.01371	3.8
61.98823	100.0
69.25541	3.2
69.25964	2.1
71.01395	3.0
72.99303	0.8
75.00861	1.3
76.82631	0.5
78.37727	0.5
85.02953	2.3
87.00881	1.6
89.02441	2.2
98.83803	0.5
99.00914	0.7
101.02435	0.7
109.89063	0.5
110.54337	0.5
113.02412	2.6
117.03383	0.6
134.03717	4.1
150.85544	0.6
160.01744	0.9
161.02431	1.9
167.95799	0.6
173.04524	0.7
175.04022	0.9
191.05602	1.7
193.05019	2.7
203.79662	0.5
226.10925	0.5
249.06091	1.3
249.67194	0.6
267.07086	7.9
281.08823	0.7
369.35794	0.6
382.17523	0.6
384.08533	0.7
443.11703	6.7
459.07922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01696	1.1
61.13094	1.1
61.98816	3.8
69.80991	6.3
75.00854	2.6
96.86904	1.1
97.06573	1.2
98.20608	1.6
103.05524	1.5
105.07124	1.4
106.04225	2.8
107.05045	1.7
116.07154	3.2
119.05020	6.3
120.04504	1.5
121.02934	3.1
128.02960	1.1
131.05000	2.4
132.05817	2.8
133.06590	3.1
133.57176	1.3
137.06071	69.4
138.06384	2.9
144.04533	5.2
145.05318	7.8
146.06126	13.4
147.04570	1.7
148.04089	6.7
148.05063	1.1
149.06090	7.0
150.05600	1.1
158.06032	2.5
158.09714	1.6
159.04451	1.2
159.06914	2.7
159.10536	1.1
162.06792	1.5
163.07610	4.0
164.04747	1.3
166.08711	3.0
174.12863	19.5
175.11247	1.9
176.07155	2.1
177.07938	1.4
180.10320	6.7
186.09166	1.6
190.06349	1.3
200.10747	2.6
202.12349	73.6
203.12682	4.9
204.10144	1.7
216.43053	1.1
217.07370	2.7
218.11787	5.9
228.10295	5.1
230.11824	2.3
234.14949	33.7
235.15352	2.6
246.11189	9.1
248.25456	1.2
260.12875	65.0
261.13208	4.3
278.13931	94.6
279.14236	5.7
291.19547	3.0
305.73901	1.2
309.20844	2.1
366.17130	2.0
398.19742	2.0
442.18649	96.3
443.18832	11.5
443.24380	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	443.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23845	0.7
59.01369	6.4
61.98823	7.7
69.72735	1.1
69.73147	2.6
71.01359	1.7
71.11083	0.7
73.02927	0.8
78.95893	19.8
79.95736	3.7
89.02457	0.9
93.07097	1.1
96.96001	100.0
96.96930	30.8
97.93127	0.7
98.19958	1.2
98.90643	0.9
101.02447	1.0
113.92664	0.7
119.04992	1.9
121.02922	1.2
135.04521	1.6
137.06070	9.4
163.03967	1.2
165.01897	2.1
167.31958	0.8
179.03482	0.9
207.02986	0.8
212.14157	0.7
279.01871	1.1
323.00757	0.8
345.09607	6.7
443.06470	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	443.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01096	1.4
59.01374	20.7
60.99298	16.1
71.01372	13.4
72.99281	1.4
73.02932	2.3
78.95889	2.3
83.01366	2.2
85.02930	6.5
87.00875	2.2
88.98796	100.0
89.02435	8.2
93.03453	2.4
95.01369	1.8
96.95992	6.4
98.19849	2.2
99.00849	1.2
101.02423	11.1
113.02435	5.1
119.03470	4.0
123.08142	2.0
127.00390	1.0
129.06702	0.9
135.04494	2.4
160.81882	0.8
161.02368	1.9
161.04474	1.0
173.04462	2.2
179.03430	1.3
185.02766	1.6
191.05582	63.4
192.05922	3.4
237.14940	1.2
257.07727	1.9
281.13828	3.8
315.08578	0.9
353.08685	9.4
399.81113	0.9
443.12350	2.3
443.19110	43.7
444.19391	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	443.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88306	0.7
55.01852	0.9
57.03450	1.8
58.00573	1.3
59.01091	1.5
59.01371	21.3
61.98523	1.1
61.98825	17.7
67.01878	1.1
69.38187	6.4
71.01374	24.9
72.99315	6.5
73.02939	1.8
75.00871	13.7
83.01361	1.2
85.02943	25.7
87.00870	12.2
89.02431	13.1
89.03906	1.0
93.03470	1.0
93.30441	0.8
95.01364	5.1
98.20640	1.6
99.00883	9.7
101.02409	4.5
103.00351	3.1
109.02965	0.9
111.00827	1.0
112.01648	0.9
113.02438	31.6
115.00356	1.1
117.01896	2.3
117.03467	3.8
119.03484	2.7
129.01906	2.0
131.03493	1.9
132.02124	1.9
133.02921	3.8
134.03728	43.7
135.04453	3.5
137.02417	1.3
145.75493	0.8
149.04518	1.0
149.06061	2.9
157.01421	1.3
160.01649	7.7
161.02428	10.0
163.03934	1.1
175.02438	2.4
175.03975	8.5
179.03458	3.2
184.28210	0.8
191.05624	2.0
193.03336	2.1
193.05022	21.4
194.05313	0.9
199.05557	0.9
207.05101	1.8
221.04495	1.8
231.05083	0.9
249.06093	8.1
252.06256	1.0
267.07147	100.0
268.07471	3.9
281.06284	0.8
281.08923	9.0
297.08255	1.1
302.23300	0.8
306.07446	0.8
357.32117	0.8
425.10397	0.9
443.11862	63.7
443.17999	2.2
444.12122	6.0
446.63229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73117	3.3
54.42293	2.6
55.01872	3.8
57.03445	3.9
58.00587	4.6
59.01087	6.5
59.01373	85.5
61.78870	3.0
61.98818	11.0
64.22221	3.0
65.39619	3.1
71.01373	100.0
71.61031	3.9
71.61421	3.9
72.64322	2.8
72.99289	6.9
73.02926	15.8
75.00899	4.3
80.48168	3.6
83.01383	10.6
85.02944	36.4
87.00871	7.1
88.98797	10.3
89.02440	54.7
95.01379	6.9
96.96004	12.1
99.00883	10.9
101.02432	57.0
109.06565	11.9
113.02432	34.0
119.03503	19.4
121.06575	38.5
123.04503	5.9
133.06602	12.0
134.03705	7.4
135.04494	6.0
135.08156	3.6
137.73956	3.4
143.03557	3.9
149.02483	4.0
149.06088	5.9
150.03130	4.4
151.07623	83.6
151.68893	3.9
152.07921	4.2
153.09198	8.3
161.04544	8.9
163.07588	3.1
165.05551	10.1
165.09201	4.6
169.08669	7.8
177.05577	4.5
179.03391	4.8
179.05589	3.8
183.10289	4.6
191.05615	7.0
193.05074	4.5
195.06538	6.0
227.09230	17.9
267.07089	4.3
313.12827	45.8
314.13138	4.1
339.24100	3.9
345.11877	6.2
357.11819	44.0
358.12155	3.9
375.12915	12.9
377.14368	24.2
389.14447	86.5
390.14502	3.5
407.15485	72.8
407.20364	5.9
408.15909	7.1
423.85089	3.3
443.12723	5.4
443.19180	57.3
444.19797	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	443.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49523	0.8
57.03440	6.4
58.00585	2.3
59.01373	44.4
69.39752	7.4
71.01372	31.2
72.99292	2.2
73.02935	4.1
75.00888	1.1
78.95900	3.4
83.01369	2.3
85.02932	6.0
87.00872	3.0
89.02432	44.9
95.01378	1.7
96.96950	3.7
99.00857	1.9
101.02430	100.0
102.02772	2.1
108.08588	0.9
113.02443	13.8
117.01929	3.7
119.03479	16.0
131.03459	2.6
143.03500	3.7
149.04555	2.1
151.07616	1.0
161.00804	1.2
161.04550	4.7
163.03952	1.1
179.05571	20.7
180.85977	0.9
191.05537	1.1
233.10233	1.7
341.10822	89.2
342.11127	4.9
443.19196	5.5
469.94989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1553
Annotation	Manglieside B
Peak:m/z	Relative Intensity
55.01857	0.2
57.81876	0.1
59.01374	2.2
66.62009	0.1
71.01378	1.9
71.62620	0.2
72.99310	0.1
73.02940	0.2
83.01366	0.2
85.02927	0.2
89.02435	2.9
93.03426	0.2
97.02952	0.2
99.00867	0.2
101.02425	0.8
104.54477	0.1
105.64173	0.1
108.02164	0.5
113.02445	0.5
119.03500	0.1
119.04965	0.1
122.03726	0.9
124.01682	0.2
125.02415	1.1
131.03496	0.8
131.05052	0.2
134.03757	0.1
143.03415	0.1
147.04491	1.0
148.05305	1.7
149.06062	100.0
150.06403	4.0
161.04466	0.1
173.04520	0.2
191.05600	0.7
216.09593	0.1
233.06670	0.8
235.83823	0.1
259.86691	0.1
291.37424	0.1
293.08768	2.3
443.15463	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69918	1.3
57.03460	2.1
59.01374	100.0
61.98826	6.5
64.19738	1.5
64.91291	1.2
69.03439	3.3
69.20802	1.4
71.01379	24.8
71.61440	2.4
73.02934	2.7
75.00865	1.3
81.03465	2.3
83.01398	4.3
83.05007	3.0
85.02933	6.3
87.00906	2.5
89.02439	21.3
93.03451	3.4
96.95997	3.2
97.02950	2.0
99.04506	1.9
101.02427	13.9
105.07101	5.1
106.04202	3.6
106.05554	1.6
107.05025	8.6
109.06575	2.6
111.43128	1.4
113.02436	16.7
115.04033	2.4
119.03503	10.2
119.04999	5.8
121.06586	22.2
123.08150	52.1
124.08513	2.6
131.03493	1.8
131.05038	2.0
134.03728	3.2
135.04492	7.8
135.08167	1.8
137.06078	1.7
143.03532	2.2
145.05045	2.9
147.04506	2.8
147.08121	3.3
149.06062	28.1
161.02406	3.4
161.04532	4.5
165.05565	6.3
165.09224	2.1
167.07117	22.7
179.03491	2.0
179.05626	4.8
179.10759	2.9
188.08383	5.0
191.07100	17.6
192.07497	1.6
203.10751	63.8
204.11041	3.5
209.08168	3.8
218.11259	1.5
221.08022	2.1
221.11844	2.1
237.11339	2.2
281.10263	29.3
282.10492	2.5
309.74240	1.6
323.11234	2.1
328.11636	2.5
407.19232	2.0
443.15198	9.9
444.15665	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	443.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
57.03428	1.6
57.81227	1.1
58.00600	2.2
59.01089	1.5
59.01374	23.5
60.99289	2.0
61.98824	6.4
69.50596	5.9
71.01376	42.7
73.02938	13.7
77.29671	1.1
78.95924	1.4
80.69730	1.3
83.01363	4.8
84.24160	1.0
85.02952	16.2
87.00868	2.4
87.04513	1.3
88.98789	11.0
89.02428	17.7
95.01376	3.1
96.96003	7.0
96.96920	1.7
97.02956	1.9
99.00873	7.2
101.02432	36.1
102.02757	1.5
113.02432	17.0
115.04003	1.6
119.03493	3.1
125.02434	2.6
131.03435	2.4
141.42470	0.9
143.03459	1.8
149.04488	2.8
159.02945	2.8
161.04544	18.5
162.14211	1.0
191.05577	8.7
219.20375	1.0
234.38731	0.9
243.68365	1.1
251.11320	41.3
251.70853	1.2
252.11688	1.5
263.29465	1.0
304.33685	1.2
353.08829	1.3
383.15515	100.0
384.15826	7.1
389.14532	1.7
407.15781	1.2
433.28937	1.1
443.19110	5.2
469.19727	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	443.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84577	1.3
57.03437	4.1
58.41397	1.2
59.01374	79.9
61.98827	8.5
67.01891	2.6
71.01370	7.9
71.05013	1.7
71.61578	1.7
72.99299	4.0
73.02926	1.5
81.01508	1.4
83.05019	2.0
85.02949	9.3
85.44798	1.2
87.00875	4.2
89.02433	2.8
93.03452	21.2
94.03757	1.5
96.95991	1.8
99.04529	4.5
99.33582	1.4
101.02470	1.7
108.98835	1.4
111.04487	8.0
113.02408	4.6
124.43977	1.3
127.03992	4.0
129.01944	1.9
133.03008	3.5
135.04518	5.2
137.02495	2.0
137.09695	2.0
149.06033	3.4
153.05533	1.6
155.03514	7.7
161.02446	6.4
163.11276	5.8
165.12845	6.9
170.31917	1.3
173.04529	63.4
179.03465	4.1
191.05605	65.6
192.06009	2.2
207.13892	12.6
209.11809	13.0
218.27760	1.4
220.06157	6.1
221.11818	2.4
225.14966	4.7
251.12801	3.2
269.13916	100.0
270.14352	8.6
281.13852	2.8
390.14871	2.1
443.19226	72.9
444.19727	8.5
461.04047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.7
57.93220	0.4
59.01369	18.1
60.99280	1.1
62.34861	0.4
67.01888	5.6
69.03447	1.0
69.53394	3.4
71.01369	4.8
81.03451	1.2
83.05008	1.2
85.02950	1.5
93.03443	31.2
94.03790	0.9
99.04505	1.7
109.02929	1.5
111.00847	2.6
111.04504	7.3
115.82732	0.4
137.02414	5.4
137.38838	0.5
142.76436	0.4
155.03481	6.4
165.12773	1.9
173.04520	100.0
174.04869	3.5
178.54855	0.5
191.05579	12.8
207.13857	2.9
209.11742	3.8
225.14871	0.8
251.12788	0.9
261.05441	0.7
269.11630	0.6
269.13898	35.3
270.14191	2.5
443.19153	37.5
444.19400	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	443.1916
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01868	1.9
57.03430	1.3
58.00574	1.4
59.01377	37.7
60.01716	0.6
68.54189	0.4
70.94173	0.7
70.94508	0.9
71.01377	25.8
72.99287	1.9
73.02943	3.9
83.01366	3.3
83.05022	0.7
85.02943	9.0
87.00861	1.4
88.98795	1.2
89.02437	16.4
89.02991	1.0
95.01387	2.5
97.03018	0.5
99.00880	1.2
101.02431	18.7
111.04540	0.9
113.02431	8.8
119.03492	6.6
123.08100	0.6
134.03766	0.6
143.03506	0.7
161.04517	1.2
171.11880	0.5
173.04599	0.7
189.12848	1.4
191.05586	0.8
193.05017	0.9
219.13885	0.8
237.14934	0.8
267.07150	1.3
348.88336	0.5
443.19159	100.0
444.19525	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	443.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67850	0.3
57.03426	1.1
58.45557	0.4
59.01375	3.5
60.99286	0.4
61.98822	0.6
65.03979	0.5
67.01878	4.3
69.03436	0.8
71.01383	3.9
71.05008	0.4
71.62687	0.8
76.59756	0.4
81.03433	0.8
83.05012	0.8
85.02914	1.0
87.00900	0.5
87.03998	0.7
87.04501	10.3
93.03447	24.5
94.03768	0.8
96.95979	1.2
99.04488	0.7
104.58303	0.4
109.02927	1.2
111.00851	1.1
111.04515	5.1
113.02427	0.7
115.94107	0.4
120.68986	0.3
127.03975	0.6
137.02437	4.8
137.09729	0.4
155.03476	5.9
173.04523	100.0
174.04858	3.6
191.05638	0.8
207.17465	0.6
269.17517	11.0
269.62091	0.4
269.88577	0.4
270.17917	0.8
308.50269	0.4
443.22903	17.0
444.23132	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	443.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60429	0.5
54.71466	0.5
55.87645	0.6
61.86121	0.5
61.98810	0.7
71.24763	1.1
74.99046	0.7
97.54881	0.5
105.84905	0.5
106.45660	0.5
124.17265	0.5
159.08447	4.3
161.06363	1.1
172.95941	0.6
217.07114	1.2
277.07455	2.4
341.66382	0.5
345.13635	1.3
357.13776	2.4
359.15286	100.0
360.15421	12.1
413.78992	0.5
425.19870	1.5
427.21512	49.1
428.21713	7.1
443.24664	11.9
444.24835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59051	0.3
56.83798	0.3
59.01374	100.0
60.01709	1.1
61.98821	0.7
69.44173	1.9
71.01389	0.6
75.07145	0.3
78.95899	0.8
85.24721	0.3
87.91740	0.3
89.02425	0.6
91.04005	2.1
96.96017	0.4
98.20622	0.6
111.08174	1.0
113.02446	0.3
137.06065	0.4
151.37846	0.3
152.99597	0.7
161.02406	0.4
165.12949	0.3
188.77832	0.3
197.11803	4.0
211.13466	0.4
225.14809	0.4
265.18192	0.4
291.19696	4.1
309.20660	8.7
310.21100	0.5
319.01657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00889	0.4
58.78823	0.4
59.01376	100.0
60.01712	1.0
61.98849	1.1
70.51657	1.3
71.01386	0.9
78.95904	0.4
89.02456	0.8
91.03994	3.2
96.95996	3.1
101.02464	0.5
109.04948	0.4
111.08169	1.7
121.02927	0.6
159.79787	0.5
163.03987	0.5
197.11829	4.7
199.13342	0.5
211.13412	0.9
263.20331	0.5
291.19589	4.2
298.28079	0.4
309.20691	12.1
310.21179	1.1
383.17569	0.7
443.19131	0.4
443.24344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63301	1.0
59.01372	100.0
60.01700	1.4
60.84505	0.8
61.98807	1.4
64.61543	0.8
71.01370	2.1
71.61795	0.8
75.00858	8.3
113.02457	1.1
117.77055	1.0
144.68741	0.9
193.49135	1.0
198.44614	0.8
202.20541	0.9
291.19559	1.4
309.20523	2.4
443.24164	1.5
443.31354	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	443.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01713	1.2
61.98824	33.3
71.01357	3.2
71.05013	1.1
73.02947	1.0
82.74979	0.7
85.02928	1.4
89.02425	1.9
99.00859	0.8
101.02411	2.7
123.04497	0.9
153.05547	2.6
161.04543	2.9
199.16911	0.8
212.71597	0.9
241.15288	0.7
323.17587	1.6
383.12680	1.1
383.24463	1.2
443.23947	1.6
443.35101	4.6
446.01907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.1
59.01369	1.0
69.21522	0.1
70.19213	0.5
71.01362	0.5
73.02953	0.2
75.41756	0.1
80.87778	0.1
85.02941	0.6
89.02435	0.2
101.02435	2.0
121.45917	0.1
131.03465	0.5
142.71739	0.1
163.06105	2.7
181.07233	0.2
261.22348	0.4
279.23239	100.0
280.23596	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	443.3158
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
52.01745	0.7
53.95955	0.7
55.84835	0.8
57.86889	0.9
59.01370	1.8
61.98812	3.7
71.05008	17.2
71.62069	1.7
76.26534	0.9
78.07861	0.9
79.76260	0.9
101.24853	0.9
108.42373	0.9
131.10587	0.7
149.83569	0.9
158.93784	0.9
167.87813	0.9
277.21616	1.8
278.21988	2.9
279.22250	4.1
379.29919	7.1
380.30615	1.1
395.25623	1.9
399.32553	7.2
400.33124	1.0
411.28735	1.3
425.30505	50.3
426.30676	8.3
443.31564	100.0
444.31921	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	443.3162
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
59.01354	2.1
61.44332	0.7
61.98819	1.1
68.09431	0.8
71.37225	0.8
73.02913	0.7
96.95997	1.0
109.06552	1.1
131.99031	0.9
239.57997	0.7
395.29477	6.2
396.29559	1.1
397.26147	1.5
397.31006	18.1
398.31213	3.2
399.32538	1.8
400.32608	0.8
443.31522	100.0
444.31845	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	443.3521
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
57.03421	1.2
59.01355	1.3
60.99295	16.0
61.98799	0.7
62.07981	0.5
65.23919	0.4
69.03436	1.9
71.01370	0.7
71.05001	1.5
71.60252	0.4
72.02151	0.7
76.98798	0.8
80.02667	2.0
83.05004	0.5
109.66795	0.4
111.08160	2.2
137.09689	2.5
149.09711	1.9
167.88802	0.4
229.42538	0.5
287.22476	0.4
371.25974	0.5
375.27267	0.5
377.28281	2.6
391.29901	3.5
393.31598	0.7
397.31531	0.5
399.32587	4.7
400.32785	0.8
405.31610	1.4
407.33112	100.0
408.33466	12.5
408.38965	0.6
409.34702	22.0
410.35156	2.5
413.34494	2.3
421.31055	1.0
423.32581	2.3
425.26718	0.7
425.34421	2.1
427.35736	9.8
428.35965	1.2
437.30603	0.5
441.33820	1.7
443.28287	7.8
443.35263	7.9
444.28363	0.8
444.35709	0.7
451.32263	0.6
453.33679	26.9
454.33926	3.6
459.11765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77480	0.6
59.01371	19.6
60.26642	0.5
61.98818	1.5
69.03458	1.4
69.93334	2.8
71.01382	0.6
84.04532	3.4
85.02954	1.1
91.25027	0.6
92.05061	2.1
94.02960	0.8
95.05038	2.0
98.19916	0.7
100.04066	0.6
102.05590	0.8
104.05073	1.0
106.06609	28.6
108.04567	0.7
116.05051	0.8
118.06658	0.8
119.03757	0.7
119.04995	1.1
120.04555	5.2
120.08174	0.6
121.02969	1.5
122.02473	1.6
131.03734	0.6
132.04520	6.1
134.06133	3.2
135.04463	1.0
136.03964	0.6
136.07657	6.0
137.06068	9.3
140.07149	1.5
144.04463	1.0
146.06102	3.6
146.80817	0.5
148.04021	2.1
149.04800	1.6
150.05621	1.4
152.03497	1.1
160.03989	1.2
160.07707	1.4
162.05579	3.2
163.02678	0.8
164.03551	3.7
164.07137	100.0
165.07487	4.2
166.08672	1.5
173.04553	1.0
176.07164	1.5
178.05072	30.5
178.08592	2.9
179.03629	0.5
179.05447	1.0
188.03548	1.4
188.07108	1.1
190.05048	5.1
192.06654	0.9
194.08192	6.5
204.10287	4.1
206.04472	4.1
208.06084	5.3
220.06110	7.2
221.06454	0.7
225.35368	0.6
230.08258	1.7
232.06133	0.7
232.09804	1.0
238.07158	0.8
248.09293	2.7
250.10776	1.3
262.10806	1.6
264.08838	1.0
280.11838	10.8
292.08191	1.1
306.09799	3.4
308.11334	2.7
324.10815	24.0
325.11243	1.8
326.10129	0.7
334.92871	0.7
412.14053	0.9
414.15662	1.9
444.16522	54.8
445.16925	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	444.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63047	0.5
59.01369	11.5
69.57214	1.7
69.57623	2.0
70.26656	0.5
83.19166	0.8
84.04541	3.3
85.02926	1.2
92.05056	1.7
94.02929	0.7
99.37863	0.6
106.06611	28.2
107.06942	1.1
115.51115	0.6
118.06654	0.6
120.04538	6.5
120.08177	1.0
120.69957	0.7
122.02441	1.0
123.49263	0.8
128.20006	0.8
131.03752	0.9
132.04541	6.6
134.06117	1.6
135.03262	0.6
136.07651	7.1
137.06075	4.3
140.53781	0.6
141.25255	0.6
144.04518	1.0
146.06067	1.2
148.04048	1.5
149.04799	1.3
150.05583	1.9
158.09712	0.7
160.04002	1.3
160.07651	1.3
162.05547	1.6
163.02647	0.9
164.03516	6.2
164.07138	100.0
165.07510	3.9
176.07137	1.3
178.05063	22.8
179.05412	1.4
188.03474	3.2
188.07170	0.9
190.05089	1.9
194.08167	6.1
204.10275	2.2
206.04555	3.7
208.06119	6.4
220.06105	6.7
230.08307	1.5
232.06166	0.9
248.09183	2.1
250.10783	1.1
262.10788	0.7
264.08771	1.1
280.11838	17.5
281.12210	1.3
292.08267	1.5
306.09778	1.6
324.10797	5.1
392.26962	0.6
412.13611	0.7
414.15460	1.1
417.20584	0.7
444.16583	50.1
445.16949	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	444.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82803	2.1
59.01371	100.0
59.02158	2.3
61.98814	10.2
67.01882	3.1
67.09442	2.1
69.03447	40.9
70.71027	4.0
70.71362	3.9
71.01373	5.2
80.05054	13.8
83.01367	5.4
85.02921	7.1
95.01340	2.4
95.05013	50.5
98.19900	2.4
99.08125	3.7
101.02427	5.2
106.06643	2.7
107.05039	2.8
108.04536	26.7
113.02428	6.6
119.05006	4.5
121.02934	38.7
129.09198	6.5
129.54988	2.1
134.06091	8.9
137.06064	97.7
138.06401	3.5
139.03979	5.2
140.07152	53.1
150.05569	2.4
152.03510	14.0
158.46828	2.8
166.08704	43.2
178.05070	3.0
179.07150	12.9
188.07150	11.7
192.06645	7.8
215.05882	5.5
230.08203	19.4
259.09677	7.8
259.95676	2.7
262.10742	2.5
279.47363	2.6
280.11911	7.0
307.08731	2.4
330.13440	18.7
359.21140	2.3
444.16498	52.1
444.30405	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	444.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54240	0.5
56.75491	0.5
59.01369	8.4
61.98830	0.7
69.30519	4.4
71.01365	2.2
78.95898	0.6
80.33399	0.6
89.02419	0.7
96.25387	0.5
118.02978	1.0
118.06593	1.6
120.04550	1.4
127.44319	0.6
130.64601	0.6
132.04526	1.2
133.03029	0.7
135.04514	0.9
143.03722	0.9
144.04524	2.8
145.05319	3.9
146.02457	1.7
147.03271	0.6
148.04042	3.3
148.07613	0.7
158.06094	2.2
160.03990	3.5
161.02446	2.2
161.04648	0.7
176.03499	1.3
176.07121	11.6
186.01968	2.4
187.02608	1.7
188.03468	1.7
189.04266	3.5
202.05078	19.5
203.05844	19.5
204.03003	9.2
204.06619	19.0
205.06886	0.7
208.09756	22.9
209.10074	0.8
219.05313	0.7
220.04128	1.0
220.06113	9.8
223.13293	1.8
234.07677	100.0
235.08044	5.0
252.08786	0.9
340.11819	5.1
372.14459	85.0
373.14774	8.6
393.15506	0.6
444.17520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54326	0.5
59.01371	10.3
61.98822	100.0
64.86232	0.4
67.28416	0.5
69.41362	0.4
71.01374	1.0
71.62056	0.6
73.02948	0.6
78.95885	0.6
79.05507	0.6
83.01392	0.5
85.02926	0.5
96.95986	0.8
101.02437	1.0
101.36010	0.4
113.02468	0.5
118.06658	0.4
135.04535	0.7
137.06075	0.5
152.26291	0.5
152.99565	0.9
161.02412	1.0
164.03496	0.4
176.07144	4.0
180.83490	0.4
188.07182	1.2
190.05127	1.3
220.09875	0.5
264.08652	2.2
277.20544	0.4
284.86188	0.5
357.22128	0.9
401.21286	0.9
412.75034	0.5
444.31567	0.5
445.20239	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	445.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72707	1.8
53.16405	1.8
58.94821	1.6
59.01374	17.2
64.54211	2.0
66.92442	1.8
71.01376	6.8
71.60342	1.9
72.00896	5.8
74.02472	3.6
75.00864	60.4
83.27277	1.8
85.02948	2.1
89.02448	8.6
101.02431	6.0
103.00358	100.0
103.04045	2.8
104.02859	2.9
104.03526	28.5
113.02434	3.0
119.03495	3.7
172.11407	2.2
177.76894	2.2
179.05598	3.6
191.05594	15.5
242.90768	2.3
265.09247	3.1
324.68491	2.0
341.10770	16.2
438.64285	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43505	2.6
53.65326	3.2
57.03439	7.0
59.01369	86.4
61.98820	8.5
69.67381	15.7
71.01364	29.7
72.99303	6.3
73.02928	11.5
75.00867	45.2
79.05520	3.5
79.17056	2.8
83.01385	3.0
85.02934	20.4
87.00884	6.7
89.02444	18.3
93.03435	13.6
95.01387	7.2
96.95977	22.5
96.96951	3.5
97.02961	4.4
99.00909	3.8
101.02426	12.0
102.37899	2.8
103.41646	2.7
109.02958	3.4
111.00859	3.6
111.04491	3.3
113.02443	43.0
117.03451	26.0
119.03465	6.8
119.04997	23.6
121.02995	3.2
129.01884	4.7
131.60236	2.8
133.02933	4.0
135.04512	25.3
143.03473	3.5
145.02930	100.0
153.09087	3.0
153.31229	3.3
159.11761	23.8
161.02405	16.8
161.04556	7.1
163.03983	31.1
164.86072	3.3
173.04503	32.6
178.44676	2.8
179.03468	19.9
179.05544	3.7
203.10719	29.1
211.21294	2.7
218.92465	2.8
223.13283	8.0
236.95061	2.9
247.09712	69.7
248.10008	6.7
271.15390	6.1
283.11926	7.1
299.11209	3.9
311.09503	14.0
311.59705	4.5
409.14987	3.5
445.15659	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63386	1.7
59.01376	73.7
61.98827	2.4
66.03487	1.9
66.40677	1.8
69.03441	2.3
70.12609	7.2
71.01379	17.0
72.99300	4.0
75.00852	2.0
77.23080	1.9
79.05522	3.5
82.95423	2.4
83.01387	3.1
84.04517	1.9
85.02944	8.1
89.02449	13.7
95.01391	2.2
97.02943	2.6
98.19960	3.3
101.02429	7.4
102.05607	26.5
109.04314	1.8
110.38140	1.8
113.02428	11.4
118.06600	2.1
119.03461	4.8
119.74724	2.1
121.02914	1.9
122.02474	24.2
137.06055	3.8
141.57472	1.8
143.08624	5.1
146.06096	11.2
152.03496	1.9
159.11774	24.9
161.04610	3.1
165.93283	1.9
178.08665	7.2
179.07101	4.6
185.09700	4.2
190.05124	2.7
201.12863	2.7
203.10764	33.4
218.63136	2.2
222.07690	15.1
227.10866	2.6
245.11665	2.3
247.09718	100.0
248.10040	5.3
278.57053	2.0
289.10770	6.0
349.12747	4.6
409.15042	20.7
410.15741	2.4
445.24402	35.9
446.18063	21.1
446.24704	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	445.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	23.3
67.01870	21.8
68.99802	9.1
69.03443	19.3
69.27829	3.9
69.28236	14.3
71.01384	3.3
80.95764	1.9
85.02948	3.3
87.04533	2.0
87.56735	1.8
89.02440	3.1
93.03444	5.4
93.99606	2.0
94.32046	1.8
95.01369	4.3
95.04393	3.9
95.05009	76.2
95.72021	2.0
98.20641	3.9
99.04499	32.0
100.04908	1.9
101.02427	22.3
109.55573	2.2
111.00864	100.0
111.04523	5.8
113.02423	6.3
121.02935	24.4
123.04518	2.1
127.03996	12.6
127.71418	2.0
137.06052	5.4
139.00360	27.1
139.03983	31.7
141.60368	1.9
147.04523	8.3
149.02434	38.7
149.04428	2.0
153.05560	4.1
173.04514	7.4
174.04858	4.2
176.16821	2.1
181.05032	26.2
191.03560	2.3
195.06543	3.7
213.07634	31.0
274.14401	1.9
275.05664	12.6
275.09207	67.4
276.09506	5.9
307.08148	57.4
308.08420	5.0
327.08652	6.0
345.09729	7.6
349.12753	6.8
377.12329	18.7
378.12802	2.7
386.54489	2.3
407.82141	2.2
413.47870	2.1
445.23978	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	445.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26521	2.1
56.17489	2.0
59.01370	38.9
61.98827	2.3
63.16884	2.2
67.01881	20.6
68.99803	11.9
69.03448	18.8
71.01375	7.2
73.02952	3.8
74.25229	2.0
85.02956	5.3
87.04505	2.7
89.02438	5.0
92.40104	2.2
93.03448	5.2
95.01375	4.8
95.05014	78.9
98.20650	5.1
99.04490	27.8
101.02425	29.1
111.00867	100.0
111.04482	4.2
113.02408	11.1
121.02937	22.9
127.03975	17.4
132.35330	2.2
136.07631	4.5
136.15239	1.9
137.02432	13.9
137.06050	5.1
139.00356	25.4
139.03995	33.5
145.02930	5.3
147.04491	8.1
149.02423	41.9
153.05542	5.0
161.04485	2.5
169.08600	3.7
173.04521	11.7
179.03410	3.0
181.05002	19.8
183.13852	6.1
213.07631	23.8
253.32886	2.0
271.19067	52.6
272.19373	3.8
275.05655	10.6
275.09180	68.7
276.09268	2.9
307.08173	68.5
308.08606	2.7
327.08765	4.2
345.09735	7.4
349.12894	5.4
377.12311	21.3
445.25113	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	445.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83081	0.8
57.03432	1.0
59.01374	97.1
60.01694	1.2
61.98826	5.4
65.00300	1.9
65.03934	1.7
67.01884	1.3
68.99796	1.3
71.01366	6.6
72.99304	1.6
73.02945	1.6
75.00845	2.4
80.16233	1.0
83.05025	1.3
84.04539	9.5
84.24977	1.0
85.02940	10.2
89.02429	8.4
91.05527	1.3
92.01430	1.6
92.05079	1.4
93.03478	4.5
95.05024	2.6
96.42602	1.0
100.04012	2.7
101.02417	6.3
102.05598	96.5
103.62816	0.9
107.03743	2.6
107.05024	1.5
108.02168	10.7
108.04528	1.9
108.62222	1.0
109.02957	3.4
109.70914	1.1
111.00844	2.0
113.02425	3.4
116.05046	1.3
118.06633	8.7
119.03501	1.9
119.05018	5.8
120.04533	4.1
120.08152	2.4
121.01622	2.1
121.02993	1.3
122.02472	100.0
123.04504	3.2
124.04043	5.2
125.06065	1.9
127.11349	1.1
131.03731	2.1
133.02931	2.0
134.06070	1.3
135.04494	3.4
136.04004	3.0
137.02419	1.5
137.06059	13.5
138.05603	7.0
139.03976	1.0
144.04539	1.7
145.02907	1.1
146.06100	45.2
147.04515	2.8
148.07686	1.7
149.04488	3.3
151.07639	1.1
152.01134	6.2
152.07091	4.6
153.01941	2.1
157.05324	1.2
160.07625	1.2
161.02365	2.0
161.04486	1.2
161.10872	1.1
162.05565	2.7
162.09212	1.9
163.04019	1.5
163.06398	2.7
164.03568	2.2
164.07178	6.6
172.41396	1.1
173.04567	2.3
176.07201	1.2
178.08713	35.5
179.03503	2.5
179.07115	12.3
180.02986	12.6
180.06642	3.1
188.07150	1.7
188.10782	3.2
190.05092	11.4
192.77032	0.9
196.09743	3.8
204.10255	4.3
206.08250	1.1
208.06102	5.6
220.09837	1.2
222.07683	60.8
223.06100	7.1
232.09697	6.6
238.10765	1.2
239.06883	1.4
247.09727	4.0
264.12405	2.0
266.06631	4.5
266.10284	12.9
282.13541	1.7
284.11484	1.4
308.11386	3.9
310.10794	6.3
311.09189	1.5
323.56580	1.1
326.12421	11.8
328.11890	2.8
342.13428	1.7
343.11765	5.4
402.15442	2.9
412.29303	0.9
414.15726	4.8
445.11267	6.7
445.16458	1.6
445.25443	1.8
446.18134	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.5
59.01095	2.5
59.01372	44.1
68.99804	3.1
69.03448	3.7
69.33484	18.0
71.01377	35.0
72.99294	2.8
73.02930	7.4
74.16956	2.0
83.01377	2.7
85.02943	15.0
89.02428	25.7
93.03436	2.7
95.01369	6.2
96.96003	3.9
96.98329	1.8
99.00850	4.2
101.02427	19.8
111.00900	2.9
113.01702	2.7
113.02441	40.9
119.03471	7.8
119.05017	14.1
121.02917	6.5
125.02459	2.3
131.03477	1.9
133.02925	2.2
134.03729	2.4
135.04459	4.1
143.03444	2.8
149.01244	2.7
149.02419	40.4
150.02710	2.1
151.03883	4.4
153.01738	2.3
157.56181	1.8
161.02356	7.0
161.04489	6.0
163.04030	3.3
163.06119	4.5
164.04768	42.9
179.05632	3.6
179.07094	15.9
181.05095	2.2
193.01398	2.1
195.03024	3.0
205.07091	1.8
208.03709	18.9
213.04005	2.9
223.06087	100.0
224.06409	5.9
265.07080	5.7
299.11203	9.8
361.78067	2.3
385.11301	2.9
409.16931	2.0
445.17203	48.2
446.17599	3.4
466.90240	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
59.01374	45.1
61.98818	1.7
71.01373	15.1
72.99270	0.7
73.02948	3.9
76.40168	0.5
78.95889	5.0
79.95731	2.2
83.01382	1.7
83.05019	0.5
85.01302	0.4
85.02941	5.8
87.00884	1.2
89.02428	9.9
91.05157	0.5
93.03426	0.6
95.01364	1.0
95.05008	0.5
96.96001	100.0
96.96893	7.0
97.06554	0.5
98.19852	1.4
98.20573	2.2
99.00877	1.3
100.06335	0.4
101.02431	9.7
108.57605	0.5
109.06603	0.6
111.00848	0.8
113.02431	8.5
116.45323	0.6
118.97800	0.5
119.03486	4.8
123.04545	0.5
124.78044	0.6
143.03455	1.5
149.04556	0.6
152.03473	0.9
153.09193	0.7
159.02980	1.3
161.02452	0.6
161.04536	7.4
163.11308	0.6
165.09196	0.9
178.87210	0.6
179.05571	2.1
179.10747	1.1
187.11250	2.2
205.12343	4.7
223.13368	5.1
227.06627	0.6
233.11815	1.5
261.05582	0.9
274.78012	0.6
277.14352	1.3
277.98608	0.5
283.11786	1.2
289.43665	0.6
295.91373	0.5
373.30746	0.5
385.18729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.9
66.05752	0.2
69.49257	1.2
69.49663	0.3
71.01376	1.9
72.99302	0.5
73.02932	0.6
75.00857	2.0
85.02946	0.7
87.52953	0.2
89.01974	0.2
89.02425	1.1
93.03423	0.2
95.01418	0.2
96.95996	0.9
96.96959	0.2
101.02435	1.0
113.02476	1.1
117.03451	28.8
118.03808	1.1
119.03625	0.5
119.05008	13.4
120.05357	0.5
121.02958	0.3
135.04504	0.3
137.06071	0.6
142.67216	0.2
145.02933	100.0
146.03290	4.0
161.02394	0.5
161.06107	0.3
163.03983	30.4
163.55728	0.2
164.04344	0.9
173.04503	0.3
185.73045	0.2
203.10733	0.6
205.05016	0.2
247.09723	1.5
248.10439	0.3
445.14963	30.3
446.15317	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	445.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41384	0.2
52.02325	0.2
59.01091	0.3
59.01373	5.4
69.34682	1.4
69.35098	0.5
71.01378	2.2
72.99265	0.2
85.02952	0.6
87.51134	0.2
89.02437	2.0
93.03461	0.3
95.01366	0.2
96.29384	0.2
101.02440	1.2
113.02415	1.0
113.39359	0.2
117.03452	27.0
118.03759	1.0
119.03593	0.5
119.05009	12.5
120.05351	0.5
121.02946	0.3
133.06586	0.8
137.06068	0.5
138.32309	0.2
145.02933	100.0
146.03275	4.2
147.04469	0.2
155.28983	0.2
156.60268	0.2
159.11821	0.3
161.06027	1.9
163.03987	13.1
164.04312	0.5
167.74149	0.2
173.04593	0.3
177.05577	0.8
205.05005	2.1
235.05957	0.3
247.23871	0.2
265.07169	1.1
297.72366	0.2
445.14951	55.5
446.15268	5.9
453.99405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09269	0.3
58.00579	0.5
59.01372	9.0
61.98824	1.1
69.07296	0.3
71.01366	3.0
71.61278	0.5
72.99287	0.8
73.02933	0.7
75.00874	0.4
79.57756	0.3
81.44555	0.3
83.01423	0.4
85.02949	1.1
89.02426	2.1
93.02932	0.4
93.03423	1.6
95.01412	0.4
96.95972	0.3
98.95588	1.0
101.02405	1.7
106.64658	0.3
110.06077	0.4
113.02449	1.5
117.03456	28.5
118.03751	0.6
119.03551	0.7
119.05011	13.6
121.02968	0.6
123.04494	0.3
133.06552	0.6
135.04529	1.0
137.02469	0.8
137.06096	1.0
145.02934	100.0
146.03262	4.6
147.04399	0.4
155.10791	0.3
159.11801	1.0
161.02292	0.5
161.06114	1.8
163.03984	12.9
164.04384	0.8
166.05119	0.5
173.04536	2.2
177.05504	0.6
178.08734	0.6
179.03389	0.7
187.05803	0.3
203.10774	2.0
205.05017	2.2
211.13441	0.4
223.13429	0.4
235.06119	0.6
247.09709	1.5
265.07172	0.9
266.10330	0.4
271.15530	0.6
283.15631	0.6
325.14035	3.5
326.14517	0.4
445.14941	58.6
446.15317	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	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
56.82848	0.7
57.03451	1.5
58.00586	3.6
59.01374	75.9
59.36666	0.6
61.98824	1.6
67.56506	0.7
68.99825	1.5
69.03452	2.5
69.42719	1.3
69.43126	4.8
71.01375	36.2
72.99304	5.7
73.02937	28.4
75.00880	0.8
79.94689	0.7
83.01385	3.1
83.87978	0.7
85.02938	13.9
86.00083	2.2
87.00859	11.0
87.04498	5.0
89.02433	27.0
95.01360	1.6
96.95994	1.9
97.02941	3.3
98.20617	1.5
99.00855	1.7
99.04505	1.0
101.02431	40.8
102.02910	0.7
103.04001	14.6
104.10779	0.7
109.02911	1.1
113.02439	7.2
115.03993	11.9
119.03527	11.2
119.05008	29.9
120.05338	0.9
125.02433	2.4
127.03992	1.4
131.03491	12.3
133.02971	1.4
135.04494	1.3
137.06076	2.1
143.03494	15.4
144.03752	0.7
145.05042	5.3
161.02415	2.3
161.04585	1.9
163.06107	29.3
164.06435	0.8
179.05673	1.3
181.05022	1.0
191.05634	1.0
205.07138	25.6
211.23029	0.7
213.03967	1.2
265.09424	1.5
299.11328	5.4
445.17142	100.0
446.17422	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	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03447	3.1
57.27067	1.0
58.00583	2.4
59.01372	72.9
61.98835	1.6
64.81240	1.0
70.93699	3.5
71.01373	56.9
72.99308	2.7
73.02943	4.1
79.64616	0.9
83.01393	2.3
85.02946	39.1
87.00881	3.2
88.72419	1.0
89.02433	40.5
93.03439	1.3
95.01379	19.2
101.02437	20.4
103.04025	2.8
113.02435	97.8
114.02798	2.3
119.03526	12.8
119.05008	27.7
120.05371	1.6
131.03458	1.5
133.02939	2.0
135.04507	1.7
136.40057	1.1
137.06075	3.2
143.03500	7.1
151.03975	1.6
161.02460	9.3
161.04529	18.0
162.69687	1.2
163.06032	2.0
164.04880	1.7
179.05618	2.5
223.06158	2.7
243.10732	1.0
281.10321	1.7
289.73044	1.3
299.11371	18.2
392.63193	1.3
445.17230	100.0
446.17471	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	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.6
58.00588	2.9
59.01375	71.4
70.35297	4.0
71.01377	61.6
72.99297	3.0
73.02943	6.2
78.95897	3.0
83.01373	2.8
85.02945	41.1
87.00887	5.2
89.02437	47.4
95.01375	14.3
96.96006	7.8
96.96992	2.0
99.00906	1.4
101.02437	26.8
103.04009	2.9
113.02439	91.1
114.02759	1.8
115.03976	1.5
119.03520	12.9
119.05012	23.2
131.03487	4.7
137.06073	4.4
143.03474	4.3
148.16328	1.3
151.04013	5.9
161.02412	1.7
161.04550	16.9
163.06110	4.1
179.05594	3.6
205.07150	2.8
223.06078	1.6
281.10080	1.4
299.11353	16.6
330.20544	1.7
445.17126	100.0
446.17126	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	445.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41180	3.5
58.79341	3.6
59.01088	7.3
59.01372	95.3
61.98818	15.2
65.03948	6.0
69.03442	7.6
71.01366	16.9
71.61736	7.4
73.02926	5.4
78.95896	11.1
79.05523	59.5
85.02952	12.8
86.02539	3.7
87.00902	4.8
88.47628	4.1
89.02435	13.7
92.17965	4.3
93.07085	11.8
95.01351	5.0
95.05017	7.6
96.95996	8.1
97.02927	6.4
98.21652	3.7
99.04506	16.8
99.05511	4.5
101.02439	18.7
102.05585	23.2
105.03484	5.3
105.07079	13.0
107.05031	18.3
107.08627	27.5
107.52512	3.9
111.00859	10.8
113.02437	20.4
119.03417	5.4
119.04970	5.1
121.02983	9.1
122.02474	22.2
123.04478	3.9
125.06054	27.0
129.07076	8.4
131.04927	4.1
131.08617	5.9
133.02945	10.6
133.10245	4.2
135.04510	44.8
137.06082	12.0
141.07063	5.1
143.08644	15.2
145.06572	5.6
145.10181	21.0
146.06099	7.8
147.08101	8.0
147.11784	31.8
149.02390	6.6
151.07639	26.7
152.99573	15.4
155.08632	11.4
157.06564	13.3
157.10205	7.0
158.07320	4.1
161.02423	38.6
169.06520	6.8
169.10210	15.9
171.08171	18.5
171.11742	50.6
173.09732	6.7
173.13333	4.4
175.03989	17.9
178.08658	8.9
179.03505	28.1
182.07318	4.2
183.08141	6.8
183.11748	4.6
185.09694	7.6
185.13377	4.6
189.05582	12.0
191.10698	3.9
195.08047	8.6
197.09662	12.0
197.13486	4.8
199.03868	6.1
201.09180	11.3
209.09674	5.6
209.13400	4.9
211.11305	7.5
213.05537	17.3
213.12585	4.5
215.07185	7.2
221.09784	5.3
221.13246	6.5
222.07590	11.7
223.11151	5.4
223.14925	5.2
225.12778	5.3
226.06209	4.2
228.08023	4.7
235.11176	8.7
235.14738	5.9
237.12732	5.1
237.16447	14.8
239.07047	10.4
239.18018	12.8
241.08719	4.6
247.11292	9.9
249.12759	9.6
250.13510	6.3
251.14314	7.7
253.08699	8.6
254.09297	4.8
261.12796	6.7
263.14340	15.4
265.15945	35.8
269.11691	5.1
275.14398	7.1
279.10220	6.6
285.20676	60.8
287.14410	4.6
294.12589	25.0
295.13409	6.0
306.12656	4.2
307.13174	5.3
309.14694	18.2
311.09512	21.6
311.59583	4.6
320.13913	4.8
329.22821	18.9
339.21146	6.6
341.19193	7.1
346.15622	5.6
355.20636	17.1
357.22177	89.9
357.26294	7.8
358.22711	8.5
373.21786	8.2
401.21146	79.0
402.21613	6.6
405.15442	46.9
405.65704	10.9
445.20117	100.0
446.18723	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	445.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42629	0.5
54.59349	0.6
57.03456	0.5
58.00580	1.3
59.01371	100.0
59.11115	0.7
60.01698	0.6
68.99818	0.6
69.51913	4.0
71.01373	17.8
72.99301	3.2
73.02961	0.8
80.91682	1.3
83.01395	1.2
83.05039	2.0
85.02937	3.6
85.59999	0.5
86.62766	0.5
87.00880	1.9
88.98810	2.5
89.02433	28.8
94.82603	0.5
95.01407	1.6
96.95998	17.4
96.96942	0.8
97.02930	0.5
97.06579	0.8
101.02430	9.1
107.52514	0.5
113.02438	8.7
119.03487	10.6
131.03462	1.0
137.06177	0.6
143.03508	3.5
149.04573	1.3
153.06790	0.7
154.02135	0.5
161.04553	3.5
179.05583	18.1
180.05983	0.8
265.07135	1.0
265.10785	1.0
267.07233	1.3
283.11996	1.7
335.22842	0.5
347.13461	0.7
412.66281	0.6
445.17059	0.9
445.20972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01608	0.6
57.03442	0.6
58.00585	0.6
59.01373	100.0
61.53350	0.5
61.98822	8.3
69.35516	0.7
69.35909	4.2
71.01373	23.0
72.99301	1.3
73.02944	1.4
75.00884	1.4
83.01400	0.8
83.05023	2.1
85.02934	4.0
87.00858	3.2
87.26059	0.5
88.98804	0.7
89.02434	33.2
93.03447	0.8
95.01385	1.7
98.19932	1.3
99.00883	0.7
101.02428	11.8
108.02185	0.8
109.02890	0.7
111.00934	0.6
113.02434	9.3
119.03482	13.5
123.04517	1.9
125.02400	0.7
131.03537	0.9
134.03699	0.8
137.02531	0.7
142.78989	0.6
143.03471	2.6
146.03764	0.9
149.04514	1.2
153.09245	1.1
161.04588	6.3
161.06108	1.9
167.03496	0.7
173.04517	0.9
179.01881	0.6
179.05597	19.3
179.07167	1.0
187.11171	0.6
191.05576	0.6
193.05049	0.6
195.04802	3.3
205.12437	2.0
209.04468	1.2
223.13489	0.9
269.04578	1.1
269.07727	0.8
282.52731	0.6
341.16107	2.3
385.18832	2.1
401.10199	0.6
445.07242	0.7
445.12589	1.8
445.21326	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	445.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75504	0.6
55.58150	0.5
57.03436	0.6
58.00600	0.6
59.01373	100.0
59.57936	0.4
60.01716	1.0
69.26946	2.6
69.27370	2.0
71.01372	16.1
72.99324	0.6
73.02946	2.3
83.01387	1.1
85.02945	4.2
87.00877	1.4
89.02434	16.6
91.27222	0.5
95.01403	1.0
99.00858	1.0
101.02438	7.6
113.02441	7.3
117.03532	0.5
119.03489	6.3
131.03505	0.6
143.03506	1.7
149.77383	0.4
152.03476	0.8
153.09236	2.1
159.02971	0.9
161.04543	10.1
179.05569	10.3
179.10832	0.5
197.08185	3.6
205.12328	0.9
210.17691	0.5
216.64168	0.5
218.04774	0.7
223.13326	3.5
269.44229	0.5
298.41299	0.5
385.18692	2.5
393.61502	0.5
445.07892	1.4
445.20953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
59.01374	100.0
60.01712	0.7
61.98830	1.7
63.32304	0.4
65.09380	0.4
71.01383	7.3
71.48721	0.7
72.99303	0.8
73.02946	1.8
75.00877	0.7
83.01409	0.8
85.02951	2.3
87.00872	1.3
89.02438	7.9
93.03467	1.0
95.01398	0.8
96.96019	2.8
99.00888	0.9
101.02435	5.4
111.00883	0.5
113.02438	4.1
119.03514	2.5
126.36309	0.4
131.03497	0.7
133.02985	0.5
135.04530	1.7
137.09782	0.5
139.07614	0.4
143.03482	0.7
146.06244	0.6
153.09239	1.5
161.02435	1.5
161.04517	4.0
165.09229	1.5
173.04530	3.2
174.14529	0.4
175.11320	1.0
179.03401	0.6
179.05574	2.4
187.11359	0.5
189.05403	0.4
193.12305	2.5
205.12334	1.7
223.13351	2.9
227.06769	0.8
271.15771	0.8
285.03943	0.4
295.94180	0.5
385.18594	3.9
445.15536	1.0
445.20923	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	445.259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
59.01371	13.7
60.89378	0.9
61.29845	0.9
61.98819	2.7
69.45660	8.0
71.01379	2.0
74.02043	1.1
74.37873	0.9
83.04962	1.0
92.07325	0.9
94.21552	0.9
102.05572	3.1
107.08631	5.4
111.08138	1.1
113.02389	1.3
119.08666	8.0
122.02466	2.7
122.06966	0.9
125.09737	1.4
137.06061	1.6
146.06148	1.3
159.97003	1.0
163.66185	0.9
171.10255	34.7
175.14879	1.2
178.08727	1.2
183.10237	1.8
185.11790	3.7
188.31680	1.0
197.11734	1.0
206.46249	1.1
217.19621	1.1
222.07715	2.3
222.89023	1.1
229.19553	4.0
245.02596	8.4
253.71077	1.0
261.18549	4.9
263.19824	1.0
273.18561	19.5
274.18695	1.1
277.62708	1.3
279.19632	2.8
289.67139	0.9
291.19620	22.7
292.19885	1.7
309.20682	100.0
310.21014	7.4
324.18210	2.2
325.18494	3.1
409.33939	1.3
445.25702	9.7
446.18256	2.5
446.25677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43756	0.6
59.01373	100.0
60.01680	0.9
61.98825	3.5
71.01382	0.8
71.62035	0.6
73.02935	0.6
78.91900	0.8
78.95898	4.4
89.02435	1.6
91.02662	0.6
91.03988	3.5
93.03432	0.8
96.95995	10.6
102.05616	2.0
109.08226	0.5
112.16718	0.6
122.02506	2.0
137.09792	0.6
146.06171	0.7
152.99568	5.1
167.90462	0.6
176.20552	0.6
178.08746	1.0
211.13507	1.3
215.93263	0.6
222.07751	1.2
247.02269	1.2
271.34705	0.6
290.26254	0.6
293.21198	0.7
307.01602	1.1
309.20810	0.8
311.22263	16.5
312.22461	1.4
445.20239	1.0
446.18619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83258	0.1
59.01368	1.0
61.98817	0.1
66.51251	0.1
70.76139	0.3
71.01387	0.6
72.44429	0.1
77.89790	0.1
85.02927	0.5
85.32243	0.1
89.02413	0.2
96.95998	0.1
101.02432	2.2
131.03461	0.5
140.58640	0.1
161.04532	0.1
163.06094	2.5
178.42331	0.1
281.24805	100.0
282.25150	7.8
370.92371	0.1
412.77600	0.1
437.53070	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	446.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01689	0.7
61.98821	2.8
64.97476	0.7
65.54933	0.9
66.03481	2.1
68.02714	0.7
69.31158	1.8
69.31577	5.2
85.01164	23.6
94.02984	3.7
99.02748	2.0
101.02438	0.8
102.05595	4.0
106.04218	1.7
111.02725	4.6
113.02431	1.0
118.06619	0.8
119.05024	3.4
122.01746	0.8
122.02471	5.1
126.05591	7.2
135.04518	1.2
137.06067	41.5
138.06465	2.0
140.29199	0.8
146.06126	1.8
152.03506	8.5
158.05994	0.7
161.02408	1.1
178.08691	1.6
179.07138	2.0
190.08679	1.0
196.04305	1.9
204.10246	1.3
222.07745	2.8
238.09052	9.7
248.09270	1.7
266.10489	3.6
275.07349	3.7
281.02896	0.9
282.07974	6.2
285.20822	1.4
286.21072	2.5
290.10373	4.1
316.11838	5.6
402.13730	23.5
403.14197	2.8
446.12802	8.2
446.18192	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	446.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25799	1.0
59.01373	66.1
65.00337	1.1
65.03952	1.6
66.03465	1.0
67.01868	1.1
69.63524	4.1
69.63954	2.4
71.01367	2.3
71.85776	1.1
84.04546	10.7
85.02953	10.5
91.05555	1.5
92.01405	1.8
93.03429	3.1
98.19868	1.5
100.04047	1.5
101.02451	2.1
102.05598	97.9
103.05945	2.3
107.03805	1.1
108.04518	2.4
116.05045	1.3
118.06623	7.6
119.05010	4.6
120.04555	5.3
120.08177	1.8
121.01711	2.2
122.02472	100.0
123.02818	1.7
123.04513	1.4
123.77100	1.0
124.04016	4.0
131.03683	1.2
134.06068	1.0
136.04013	2.1
137.06067	9.6
138.05597	8.0
144.04509	1.1
146.06102	40.8
147.04570	1.9
147.06369	1.5
152.03477	2.8
152.07181	3.0
154.12688	1.0
158.07553	1.0
161.04507	1.1
162.05542	2.0
163.06389	2.1
164.03523	2.0
164.07155	6.6
176.07112	3.1
178.08723	37.3
179.07120	11.0
179.08681	1.7
180.02995	7.0
180.06685	1.7
188.10748	4.2
190.05055	8.6
190.08670	1.4
194.11797	1.1
196.09802	3.2
204.06706	1.3
204.10327	4.6
206.08141	1.3
208.06177	6.7
220.09616	1.0
220.13362	1.3
222.07690	61.9
222.11139	1.8
223.06061	5.3
223.08098	4.1
232.09779	8.1
250.10559	1.0
264.12415	1.8
266.06805	2.0
266.10315	11.6
282.13443	3.2
284.11481	1.3
308.11404	5.8
310.10788	6.8
326.12363	13.3
327.12650	1.9
327.16464	1.1
328.11899	1.6
343.11826	6.5
402.15442	2.7
414.15683	4.8
428.17194	1.2
446.18149	73.2
447.17792	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	446.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.3
61.98821	85.0
71.01389	0.9
78.95893	52.9
85.02959	0.6
87.38589	0.5
96.96004	1.2
96.96951	6.9
98.19858	1.4
101.02451	0.6
102.05608	4.9
107.67754	0.5
122.02467	5.1
146.06102	2.4
150.98013	1.6
152.99565	100.0
171.00610	4.3
178.08737	1.8
179.03456	0.8
179.07077	0.8
190.05127	0.8
222.07642	3.0
244.22928	0.6
266.10458	0.9
285.04190	0.9
300.87521	0.6
311.09500	0.6
326.12253	0.6
446.17932	3.5
447.21503	16.9
450.61426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01134	0.6
59.01380	7.8
61.98824	64.9
71.61662	0.5
77.39405	0.4
78.95897	51.3
79.78863	0.4
80.96484	0.5
82.03426	0.4
85.02930	0.8
96.95998	1.2
96.96964	6.0
102.05592	4.9
113.02435	0.7
122.02485	4.3
135.04527	0.9
138.05540	0.6
146.06111	1.2
150.97974	2.0
152.99570	100.0
153.07227	0.5
161.02405	0.8
171.00624	3.9
178.08696	1.4
222.07669	2.2
232.09644	0.8
238.40985	0.5
266.06656	0.5
266.10120	0.6
285.04138	0.9
446.17896	3.4
447.21533	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	447.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.9
63.02391	0.2
65.00313	0.6
65.20655	0.2
67.93821	0.2
69.34040	1.4
71.01362	0.3
82.59062	0.2
83.01358	0.4
93.03445	0.3
96.56898	0.2
97.59098	0.2
98.19838	0.3
101.02435	0.2
101.10407	0.2
107.01388	1.9
121.02946	0.3
132.02132	0.3
133.02928	7.4
134.03258	0.3
135.04454	0.4
137.02432	0.2
139.00375	0.2
149.02420	1.8
151.00333	4.2
169.06593	0.2
171.04474	0.2
175.03964	3.2
177.01802	0.2
182.18704	0.2
185.06104	0.3
197.06035	0.3
198.03191	0.3
199.03960	2.3
200.04242	0.2
201.01904	0.9
213.05489	0.4
215.03458	0.4
217.04988	1.3
229.05038	0.2
240.04231	0.2
241.05092	1.1
242.02081	0.2
243.02911	0.7
256.03775	1.8
257.04480	0.4
267.02948	0.3
273.07581	0.4
284.03214	3.4
285.03992	100.0
286.04330	6.6
307.08167	0.2
327.05060	0.8
357.05789	0.2
375.03537	0.2
447.09238	17.7
448.09491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.9
63.02391	0.2
65.00313	0.6
65.20655	0.2
67.93821	0.2
69.34040	1.4
71.01362	0.3
82.59062	0.2
83.01358	0.4
93.03445	0.3
96.56898	0.2
97.59098	0.2
98.19838	0.3
101.02435	0.2
101.10407	0.2
107.01388	1.9
121.02946	0.3
132.02132	0.3
133.02928	7.4
134.03258	0.3
135.04454	0.4
137.02432	0.2
139.00375	0.2
149.02420	1.8
151.00333	4.2
169.06593	0.2
171.04474	0.2
175.03964	3.2
177.01802	0.2
182.18704	0.2
185.06104	0.3
197.06035	0.3
198.03191	0.3
199.03960	2.3
200.04242	0.2
201.01904	0.9
213.05489	0.4
215.03458	0.4
217.04988	1.3
229.05038	0.2
240.04231	0.2
241.05092	1.1
242.02081	0.2
243.02911	0.7
256.03775	1.8
257.04480	0.4
267.02948	0.3
273.07581	0.4
284.03214	3.4
285.03992	100.0
286.04330	6.6
307.08167	0.2
327.05060	0.8
357.05789	0.2
375.03537	0.2
447.09238	17.7
448.09491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61663	0.7
59.01373	100.0
69.35592	6.2
69.35981	1.7
71.01375	5.4
73.02940	1.4
77.03933	1.2
78.59117	0.6
79.01871	1.0
80.28099	0.7
82.35545	0.7
83.01398	1.1
85.02947	1.3
89.02431	3.7
95.04973	0.7
97.02955	0.8
100.68524	0.7
101.02441	3.1
109.02934	1.8
113.02462	2.5
119.03502	1.1
121.02969	1.3
123.08182	1.4
125.02462	0.9
133.02933	11.0
134.03627	0.8
135.04504	1.6
145.02831	0.8
161.02461	0.9
161.04549	4.6
163.00368	1.8
163.04004	2.0
163.11270	1.1
165.01892	2.3
174.83202	0.7
175.03966	2.6
176.26218	0.7
177.01880	1.2
179.05568	2.1
189.12822	1.7
190.36655	0.7
191.03540	0.8
193.01311	0.8
199.03963	2.0
201.01932	1.1
207.13803	3.6
211.04126	1.0
213.05440	1.1
222.25238	0.7
225.05684	0.8
225.14961	1.3
227.03523	1.1
240.04205	0.9
253.05017	1.6
255.02989	1.2
255.06363	1.0
267.12250	1.2
269.04501	1.7
284.03107	4.3
285.04007	10.5
297.04016	16.9
298.04733	11.4
299.05548	21.6
300.05927	2.0
304.29355	0.7
309.03867	1.0
311.05588	6.0
325.03662	0.8
327.05032	71.4
328.05402	5.1
330.03522	0.8
339.05026	9.8
340.05499	0.8
357.06113	38.4
358.06332	2.8
369.06018	2.1
383.16351	0.7
387.20206	2.5
429.08221	6.2
447.09232	52.1
448.09531	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	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95523	0.4
59.01375	12.5
61.98821	5.7
70.99403	1.3
71.01373	1.3
77.03960	0.9
79.01879	0.7
83.01373	0.8
83.47681	0.4
89.02428	1.5
93.03468	0.9
97.02975	0.6
101.02421	0.7
106.04209	1.5
107.01375	1.0
109.02930	2.3
111.00867	0.6
113.02445	0.8
119.05039	1.3
121.02967	1.4
121.06585	6.5
125.02428	1.0
133.01909	0.7
133.02933	12.5
135.04503	1.2
137.02444	0.9
142.02692	0.8
147.04472	1.1
148.01607	0.6
149.02443	1.5
149.06062	1.0
151.00294	0.5
151.04025	0.5
161.02388	1.4
163.00314	2.5
163.03992	2.6
163.07733	0.6
165.01930	1.3
175.04002	3.1
177.01964	0.8
181.08688	8.4
182.08835	0.5
188.97815	0.5
191.03453	1.5
193.01355	1.2
193.04985	0.8
198.03204	0.6
199.03970	1.2
201.01950	1.4
213.05569	0.9
225.05582	1.2
225.07640	17.6
227.03568	0.9
227.07130	0.5
229.04948	1.0
235.06050	0.7
240.04356	0.7
253.04855	0.7
254.05933	0.6
255.02953	1.1
255.06569	0.5
256.03595	1.0
257.04276	0.6
259.05930	0.5
267.08627	0.8
269.04370	0.6
284.03238	9.3
284.06305	0.7
285.04041	6.7
297.04004	14.8
298.04776	9.8
299.05563	17.5
300.05814	1.4
309.04202	0.9
311.05508	2.6
324.02701	0.9
325.03244	0.8
327.05045	100.0
328.05389	8.9
339.05109	3.9
340.05338	0.5
341.06494	1.0
357.06116	29.9
358.06427	1.8
369.06198	2.6
387.20169	3.3
393.06107	0.9
447.09259	33.7
448.09662	3.7
472.97745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80695	0.2
59.01376	1.0
61.98803	0.5
65.00319	0.7
69.30728	1.3
69.31134	0.5
71.01379	0.4
83.01376	0.8
89.02460	0.2
98.20655	0.4
101.02403	0.3
101.32613	0.2
105.03461	0.2
107.01379	1.9
133.02934	8.3
134.03299	0.3
135.04462	0.2
141.55128	0.2
149.02406	1.5
151.00351	4.5
152.00687	0.2
153.13768	0.2
160.22853	0.2
161.02338	0.2
162.79364	0.2
171.04478	0.4
175.03979	3.0
195.05171	0.2
195.46379	0.2
197.06056	0.3
199.03990	2.2
201.01906	0.7
204.80736	0.2
213.05560	0.6
215.03421	0.5
216.01807	0.2
217.05005	1.4
223.04068	0.3
229.04980	0.3
241.05000	1.1
242.02124	0.2
243.02905	0.7
257.04495	0.4
267.03012	0.5
281.04721	0.2
284.03281	0.6
285.04007	100.0
286.01062	0.4
286.04337	6.5
347.17151	0.2
403.13553	0.2
421.48633	0.3
447.08997	2.3
448.09595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0927
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
59.01362	0.1
63.02390	0.2
65.00313	0.8
66.71774	0.0
69.50937	0.3
83.01376	0.5
93.03436	0.1
95.30408	0.0
98.19846	0.1
105.03448	0.2
107.01376	1.9
108.01698	0.1
117.03415	0.1
121.02925	0.3
121.79754	0.0
123.00858	0.1
125.02428	0.1
132.02191	0.1
133.02934	9.1
134.03247	0.3
135.04460	0.1
143.05006	0.1
145.02916	0.4
147.04543	0.1
149.02420	1.6
150.02753	0.1
151.00352	5.0
152.00668	0.1
157.06523	0.1
169.06567	0.2
171.04486	0.4
173.02313	0.1
173.06139	0.1
175.03973	2.9
176.04324	0.1
177.01895	0.1
185.06067	0.2
187.03931	0.1
189.01988	0.1
189.05530	0.2
195.04446	0.1
196.05144	0.1
197.06053	0.4
198.03123	0.4
199.03972	2.5
200.04326	0.1
201.01904	1.0
211.03944	0.2
212.04800	0.2
213.05519	0.5
214.02678	0.2
215.03506	0.4
217.05014	1.6
218.05499	0.1
223.03963	0.2
224.04501	0.1
226.02609	0.1
229.05005	0.3
239.03421	0.2
240.04276	0.1
241.05023	0.9
242.02083	0.1
242.05615	0.1
243.02982	0.7
256.03674	0.2
257.04544	0.4
267.02911	0.2
281.04428	0.1
284.03214	0.8
285.04004	100.0
286.04333	6.8
327.05188	0.1
447.09088	2.0
448.09406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.6
61.98824	1.0
65.03956	6.0
67.01875	1.9
69.03431	1.7
71.01375	15.3
71.61527	1.6
72.97531	1.2
72.99311	0.9
73.02930	3.0
75.00859	1.1
83.01362	1.8
85.02926	2.7
89.02434	15.6
91.01862	1.5
93.03469	1.0
96.93919	1.0
96.95994	5.7
97.02927	1.0
99.00853	2.6
101.02436	6.8
108.02145	1.0
109.02938	58.0
110.03286	1.1
113.02455	4.7
119.03503	2.0
125.02405	3.8
131.03456	2.7
135.00873	7.1
137.02406	1.3
143.03519	1.0
149.02257	0.8
149.04515	5.3
151.00305	1.2
151.04092	1.4
152.01117	1.2
153.01918	100.0
154.02232	2.3
168.00607	1.8
172.11046	0.8
179.05566	1.5
191.05658	4.2
195.02919	1.7
231.87019	1.0
249.25854	1.0
255.05078	1.0
256.60117	1.0
284.02893	0.8
285.03772	1.3
287.68637	0.9
293.08795	1.6
311.09930	1.6
347.78497	0.9
447.11234	45.3
448.11551	2.6
469.81818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59471	0.4
59.01371	4.9
59.54392	0.4
66.91413	0.4
70.08957	1.5
71.01373	7.4
72.99333	0.6
73.02917	2.2
74.99080	0.9
77.15957	0.4
77.43793	0.5
85.02926	3.1
88.67325	0.5
89.02431	3.5
95.01395	1.0
98.20667	0.5
99.00881	3.1
101.02440	3.5
105.01920	1.2
108.02161	48.5
109.02964	15.5
113.02450	2.9
118.98075	5.3
123.00893	0.6
123.04499	0.9
131.03444	0.7
134.03699	0.5
135.04518	1.9
141.58401	0.6
151.04002	1.4
152.01135	95.1
153.01793	4.9
153.05591	0.5
161.04521	1.8
163.03964	3.1
179.03529	0.5
207.02971	0.8
265.09277	1.6
271.08170	1.0
315.07324	0.7
315.10645	0.5
406.21664	0.5
447.11276	100.0
448.11642	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90015	0.5
57.03437	0.7
58.97824	0.5
59.01384	3.2
61.98812	0.9
69.60724	3.5
70.49498	0.5
71.01378	5.3
73.02947	2.4
74.99101	1.2
81.95241	0.5
83.01389	0.6
85.02955	2.7
87.00881	0.7
89.02447	2.1
95.01371	0.8
96.96004	0.6
96.96931	0.5
99.00887	1.7
101.02405	2.5
108.02164	46.3
109.02315	0.9
109.02966	12.4
111.73586	0.4
113.02428	2.4
115.23910	0.5
118.98082	6.6
121.02970	0.6
123.00887	0.8
123.04548	0.5
135.04497	0.9
151.04042	0.8
152.01132	90.8
153.01846	3.9
159.17931	0.5
160.33141	0.6
161.04549	1.2
163.04001	3.6
177.01917	0.6
207.02922	0.7
271.08234	0.9
315.07318	0.9
447.11365	100.0
448.11661	8.7
474.28033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.5
59.01379	3.7
61.98819	3.4
69.03467	0.7
70.16974	1.9
70.17363	1.1
71.01378	6.3
73.02946	1.6
83.01366	1.1
85.02932	3.2
89.02435	1.9
95.01398	1.1
96.95996	2.2
96.96976	0.8
99.00864	2.9
101.02425	3.9
108.02164	45.2
109.02965	11.9
113.02446	2.9
118.98065	2.3
123.04475	0.7
131.03490	1.0
131.95563	0.5
134.03802	0.6
135.04533	1.0
138.68808	0.7
151.04005	2.0
152.01134	84.8
153.01649	3.4
153.05528	0.8
159.03023	0.8
161.04564	2.1
163.04016	2.3
177.01924	0.8
179.03470	0.8
207.02876	0.7
271.08142	0.8
315.07181	1.1
341.12390	0.6
440.61972	0.6
447.11368	100.0
448.11740	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	447.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47580	0.2
54.47221	0.2
58.46193	0.2
59.01364	0.7
61.23588	0.2
62.96388	1.2
66.85596	0.2
70.02917	0.5
70.03309	0.7
78.95893	36.6
88.66751	0.3
96.96943	2.3
100.61973	0.3
133.02957	0.6
138.85114	0.2
149.00072	18.9
150.00443	0.4
151.00336	0.4
158.92520	1.8
179.01117	2.3
205.16000	1.3
267.11411	0.4
284.03229	1.4
285.04019	7.4
286.04425	0.3
308.75281	0.3
327.05170	0.2
347.08252	0.4
417.12256	0.9
431.10229	2.3
447.13379	100.0
448.13736	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	447.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
58.00583	1.7
59.01374	29.4
61.01817	0.5
63.95554	0.7
68.10741	0.6
69.03461	1.1
69.71861	1.3
69.72272	2.6
71.01376	36.9
72.01705	0.8
73.02931	8.0
73.14953	0.6
83.01366	2.9
85.02937	8.1
87.00863	3.1
89.02435	31.2
90.02783	0.6
93.03454	0.7
95.01353	0.8
96.96006	1.6
97.02937	1.0
99.00852	4.0
101.02432	15.0
107.05070	0.5
109.02924	1.8
113.02434	6.2
118.98074	1.2
119.03513	3.0
123.04552	3.1
127.32655	0.7
131.03491	15.3
135.04515	32.9
136.04919	0.9
143.03535	1.2
146.53679	0.6
149.04544	6.0
153.01920	6.1
153.05559	2.7
153.42969	0.6
161.04539	0.6
165.05515	0.6
178.03793	0.6
191.05612	8.5
195.02858	0.7
196.08466	0.6
225.07571	0.8
285.17316	0.7
315.10834	5.7
353.21753	0.7
447.15067	100.0
448.15384	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	447.1502
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
58.00579	1.3
58.21806	0.6
59.01373	26.7
69.80791	3.7
71.01375	22.3
72.99303	1.4
73.02943	10.1
83.01422	0.7
85.02951	1.8
89.02433	30.7
90.02766	0.7
96.95989	1.1
98.19879	1.4
99.00872	21.2
101.02425	11.5
105.93979	0.7
113.02423	4.2
119.03487	2.5
123.04514	37.2
124.04837	1.4
125.02444	2.0
131.03502	4.4
134.11768	0.6
135.04507	29.7
137.02510	0.8
149.04578	5.9
153.05556	54.9
154.05901	1.9
161.04556	0.7
191.05585	5.0
315.10739	4.2
316.10400	0.6
319.14117	0.8
447.15024	100.0
448.15320	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	447.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	76.3
60.05915	0.5
60.52269	0.5
61.98836	3.9
62.90255	0.6
67.01898	1.5
68.99809	20.7
69.35353	4.6
69.35703	0.5
71.01368	3.1
73.02944	0.9
81.03436	0.6
85.02926	0.9
87.00864	0.6
89.02425	3.6
93.03416	0.7
95.01409	0.7
95.05028	0.8
99.00937	0.7
99.04536	1.0
101.02435	76.4
102.02766	1.4
113.02438	1.3
119.03469	1.3
121.06570	0.7
123.04520	16.8
125.02426	2.0
125.28082	0.6
127.04022	1.8
137.02435	1.3
149.06010	0.6
161.04555	3.2
165.05498	0.7
165.21379	0.6
179.05493	0.7
182.55902	0.6
193.04839	0.6
219.46582	0.5
225.07651	100.0
226.07982	4.4
387.12881	2.1
387.20001	1.2
396.98630	0.6
420.96170	0.5
461.09332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	76.3
60.05915	0.5
60.52269	0.5
61.98836	3.9
62.90255	0.6
67.01898	1.5
68.99809	20.7
69.35353	4.6
69.35703	0.5
71.01368	3.1
73.02944	0.9
81.03436	0.6
85.02926	0.9
87.00864	0.6
89.02425	3.6
93.03416	0.7
95.01409	0.7
95.05028	0.8
99.00937	0.7
99.04536	1.0
101.02435	76.4
102.02766	1.4
113.02438	1.3
119.03469	1.3
121.06570	0.7
123.04520	16.8
125.02426	2.0
125.28082	0.6
127.04022	1.8
137.02435	1.3
149.06010	0.6
161.04555	3.2
165.05498	0.7
165.21379	0.6
179.05493	0.7
182.55902	0.6
193.04839	0.6
219.46582	0.5
225.07651	100.0
226.07982	4.4
387.12881	2.1
387.20001	1.2
396.98630	0.6
420.96170	0.5
461.09332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50531	0.5
55.49774	0.6
57.03440	1.3
59.01374	100.0
60.01703	0.6
60.99302	4.6
61.98822	2.3
67.01895	0.6
69.03432	0.9
71.01376	11.9
72.99300	4.3
73.02957	3.1
83.01366	0.8
85.02937	4.6
87.00875	1.4
88.98796	27.3
89.02435	8.6
93.03443	4.1
95.01400	1.6
95.05006	0.6
99.00893	2.5
99.04526	1.0
101.02426	9.7
102.97589	0.5
104.78413	0.5
109.02962	0.9
111.00944	0.6
111.04522	1.0
113.02439	4.3
115.92099	1.5
119.03510	3.1
119.05021	1.6
121.02931	1.4
123.04513	3.2
133.02939	4.2
134.03729	0.9
135.04529	4.1
137.02428	0.7
137.06082	1.9
138.27570	0.5
143.03484	0.8
149.02423	0.8
153.05663	0.6
153.09218	0.7
155.03497	1.3
159.02992	0.7
161.02434	10.5
161.04543	8.8
161.05882	0.9
163.04002	1.5
165.01920	0.7
165.05574	0.9
171.14268	0.6
173.04526	14.9
173.05997	0.8
175.04053	0.9
179.03520	1.8
179.05615	1.2
183.10315	1.2
191.05556	1.5
193.06601	2.1
207.08153	3.0
207.10175	1.4
209.06140	0.9
219.08089	5.4
223.13724	0.7
225.05585	0.6
225.09152	3.0
235.07730	2.1
237.05580	1.0
237.09189	10.5
253.08665	15.7
254.09097	1.0
255.10248	0.8
263.07080	3.3
267.12433	3.9
269.08261	3.2
281.08200	7.1
284.03232	2.6
285.03967	8.1
297.04044	1.7
297.07693	2.7
298.04868	2.0
299.05630	2.8
299.09308	12.2
299.12488	0.8
315.08719	8.6
316.09064	0.7
323.07706	1.1
325.07227	1.1
327.05023	10.0
328.05655	0.7
343.08032	3.4
357.06018	3.3
357.10345	1.0
357.15460	6.3
361.09280	3.0
362.10107	0.6
369.19269	0.9
385.09445	0.9
387.20215	15.2
388.20615	1.3
403.10300	18.9
403.15680	1.0
404.10898	1.7
447.09268	4.7
447.14468	5.8
447.18243	0.7
447.22797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70550	0.5
59.01373	96.1
60.01700	0.7
61.98810	4.0
67.01890	1.2
68.99809	23.6
71.01381	7.2
73.02949	2.0
75.00871	0.6
76.41341	0.6
80.91678	1.4
81.07125	0.8
82.95406	0.7
83.01398	0.9
84.98331	0.7
85.02951	2.1
89.02432	4.6
96.96011	4.9
98.95603	1.6
99.00932	0.7
99.04501	1.6
99.92593	0.8
101.02435	84.4
102.02769	1.7
107.05009	1.1
113.02428	3.5
115.92045	1.6
116.92823	0.7
119.03519	1.5
119.04993	0.9
121.06631	1.3
123.04515	18.6
125.02454	2.4
127.04013	2.5
131.03513	0.8
137.02440	0.9
137.06036	0.9
143.03552	0.7
149.06046	1.2
149.28941	0.6
159.06631	0.8
161.04536	3.2
179.05687	1.2
192.05441	0.6
209.01814	0.6
223.13351	3.7
225.07661	100.0
226.08017	5.1
241.14439	1.7
242.10350	0.7
257.01208	0.9
267.12234	1.8
269.10275	4.1
279.15350	0.6
283.70679	0.6
285.04016	0.6
285.13388	5.0
327.05121	0.6
387.12857	2.2
387.20279	1.4
401.14325	3.2
402.14590	0.7
439.05420	0.6
447.18201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33395	0.4
53.76716	0.5
59.01374	10.5
60.24049	0.4
61.98820	5.6
65.83987	0.4
71.01374	1.4
73.72712	0.4
78.95895	6.0
79.95725	2.9
89.02447	1.6
96.96000	100.0
96.96906	11.0
97.95969	0.6
98.95602	1.6
98.96372	0.5
101.02437	1.6
105.05531	0.4
113.02402	0.7
117.87887	0.5
119.03487	0.5
119.05103	0.5
137.39651	0.4
141.51273	0.4
146.83794	0.4
154.94312	0.4
161.04500	0.7
179.05626	1.0
281.10284	1.0
309.39865	0.5
341.12433	0.8
410.06366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	4.7
59.01371	16.4
61.98817	7.1
67.91354	0.8
68.61183	0.8
69.96040	3.3
71.01368	3.6
73.02924	1.0
74.02462	7.5
83.01363	1.9
85.02946	1.2
85.04088	0.9
89.02438	2.9
90.24855	0.8
96.04539	6.2
96.95958	1.1
97.04040	4.7
98.02476	3.0
98.95576	1.0
99.00851	0.9
99.05619	9.4
100.00387	1.4
101.02431	3.5
108.04536	4.1
110.02475	1.5
112.04041	6.3
112.07664	6.7
113.02441	1.8
113.03561	3.1
119.03410	0.9
122.06107	2.4
124.04012	5.2
125.03550	1.3
125.04794	3.4
126.04444	0.9
126.05570	1.5
127.05116	6.4
137.06136	1.3
137.07161	3.8
138.05608	2.4
140.07141	11.6
143.04573	2.2
145.21849	0.9
150.04361	1.2
152.03491	2.7
155.08246	17.0
161.04460	1.2
162.01862	1.0
165.06659	13.3
181.06105	1.7
183.07732	26.4
184.08038	1.2
188.03459	2.7
189.03809	1.2
219.10602	2.9
220.06032	1.5
221.06444	1.1
223.13338	1.2
225.11284	1.5
227.06697	100.0
228.06976	4.2
267.12619	1.1
285.13315	1.1
378.40631	0.8
387.19992	2.8
447.18686	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
61.98816	2.6
62.96387	1.5
70.48512	0.7
73.43957	0.3
78.95894	100.0
85.02951	0.3
96.96009	2.8
96.96947	8.0
102.05631	0.5
118.29528	0.3
122.02484	0.4
135.04498	0.6
149.00069	14.7
150.00421	0.3
150.97998	1.7
152.99567	93.0
153.99915	1.2
158.92506	1.5
165.12817	0.8
171.00584	2.7
171.10240	0.5
179.01102	1.9
179.03497	0.5
186.15248	0.3
195.13858	0.8
202.88754	0.3
205.12123	0.3
205.15953	1.5
211.13420	0.9
212.01228	0.3
213.09105	0.3
231.10007	0.3
233.11548	5.2
267.11633	0.5
276.21378	0.2
278.75720	0.3
284.03049	0.5
285.04059	1.0
291.19363	0.3
293.21347	0.8
311.09665	0.3
312.92639	0.2
327.21753	0.6
333.06204	0.3
347.08072	0.4
378.14471	0.5
399.25070	0.7
417.12424	0.9
431.10147	2.4
432.10495	0.3
447.13449	85.8
447.21390	23.5
447.27301	11.3
448.13733	6.6
448.22723	1.9
448.27628	1.5
464.10446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2228
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
51.16034	0.5
52.80280	0.4
55.01873	4.8
57.03451	3.2
57.03681	0.5
58.00591	1.5
59.01373	34.7
67.01884	0.6
68.99799	0.5
69.03447	2.1
69.27491	4.5
71.01373	75.9
71.47336	0.4
72.01701	1.2
72.99299	3.1
73.02936	31.8
75.00853	1.8
81.03445	1.3
83.01372	9.1
85.02941	31.5
86.03294	0.6
87.00864	3.2
89.02430	23.1
91.42739	0.4
93.03421	0.9
95.01375	4.9
97.02931	3.2
99.00863	16.4
99.04506	0.7
101.02431	44.1
101.54531	0.4
102.02770	0.9
102.05610	0.7
110.36088	0.4
111.00880	1.1
113.02436	27.6
114.02733	0.5
115.04020	1.8
119.03500	3.0
122.02431	0.7
125.02448	5.0
129.01929	1.1
131.03493	4.0
133.02933	2.2
143.03500	3.4
149.04547	3.8
151.00410	0.6
159.02962	5.5
161.04532	43.6
162.04886	1.3
167.61574	0.4
173.04536	3.0
174.81378	0.4
175.03960	0.5
179.05589	0.7
191.05582	2.4
205.03500	1.3
217.04904	0.6
233.06621	3.8
273.20609	0.9
275.09100	0.4
284.03247	4.2
285.04007	18.5
285.11951	0.5
286.04193	1.1
293.08777	2.1
315.18076	38.8
316.18365	2.9
327.05026	1.0
351.63577	0.5
447.09460	6.1
447.22241	100.0
448.22586	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	447.2232
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01644	0.3
55.01867	1.8
57.03436	1.6
58.00585	3.7
59.01372	97.9
60.01704	1.0
63.88815	0.3
69.03453	1.0
70.59773	1.0
71.01374	69.1
72.01714	0.9
72.99299	4.2
73.02937	9.4
75.00874	0.5
83.01377	3.4
85.02941	12.5
87.00859	3.1
89.02433	100.0
90.02777	1.3
95.01382	3.3
97.02952	0.9
99.00874	6.9
99.04508	0.4
101.02433	41.4
101.31716	0.3
102.02776	0.6
102.05589	1.6
103.42820	0.3
111.00866	0.5
113.02436	21.6
114.02766	0.5
115.04013	0.3
119.03489	25.5
120.03783	0.7
122.02489	1.0
122.36639	0.3
124.04041	0.6
125.02432	2.5
126.40839	0.3
131.03488	18.0
132.03874	0.3
135.04552	0.3
137.06084	0.3
143.03487	6.1
144.94348	0.3
146.06120	0.4
149.04536	37.0
150.04895	1.2
152.03638	0.3
159.11813	1.0
161.04547	5.6
178.08685	0.6
179.05592	13.5
179.06985	0.8
180.02974	0.4
180.05952	0.4
191.05585	10.1
201.12869	0.3
203.10846	1.4
222.07735	0.6
223.08015	0.5
224.09395	0.5
233.06717	0.6
236.09427	0.5
247.09662	4.1
251.07751	1.1
266.10309	0.7
268.08350	0.4
293.08606	0.5
293.86386	0.3
315.17993	1.4
409.15082	0.7
447.22440	10.3
448.22629	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95070	0.6
55.01872	1.1
57.03441	1.1
59.01374	100.0
60.99309	1.4
61.98836	1.7
69.53057	5.0
71.01376	15.6
72.99309	3.6
73.02948	4.7
83.01376	1.4
85.02943	5.7
87.00888	1.5
88.98802	10.3
89.02432	10.8
93.03478	2.1
95.01378	1.2
95.05043	0.8
95.45564	0.8
96.95992	0.7
97.02959	0.7
99.00862	5.5
101.02422	10.2
111.04562	0.9
113.02408	6.3
115.00452	0.7
119.03507	3.0
119.05020	1.4
121.02948	1.2
123.04520	2.5
125.02492	1.2
133.02905	3.7
133.49512	0.8
134.03754	1.1
135.04500	7.6
137.06117	1.1
138.31126	0.8
142.85332	0.7
149.04578	1.0
149.06062	0.7
153.01976	0.9
153.05530	1.1
159.03040	1.2
161.02473	8.3
161.04529	10.4
163.04076	1.2
173.04482	1.2
175.03999	0.8
179.03502	1.6
179.05562	1.6
191.05563	2.0
207.08170	1.6
219.08154	2.5
225.09274	1.4
225.14920	0.9
228.00784	0.7
235.07640	1.1
237.09151	4.5
240.89442	0.8
253.08730	5.9
263.07025	0.8
267.12219	1.3
269.08237	1.3
271.94250	0.7
278.23096	0.7
281.08197	3.5
284.03317	3.2
285.03952	6.4
297.04288	1.7
297.07587	1.6
298.04837	1.2
299.05600	2.8
299.09293	4.7
300.09390	0.8
315.08817	2.5
323.07895	1.2
325.07251	1.0
327.05087	9.9
327.08841	0.8
328.05270	0.8
343.08124	0.9
357.05917	3.4
357.15451	1.1
361.09375	2.3
387.20163	17.3
387.24829	1.2
388.20667	1.1
403.10321	7.5
447.08292	4.8
447.14496	12.1
447.22638	1.5
448.14935	1.1
463.92413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01703	0.7
69.42488	3.6
71.01368	3.7
73.02962	0.6
81.44296	0.6
85.02950	1.6
89.02429	2.4
95.51924	0.4
99.04538	0.5
101.02468	2.1
111.40121	0.4
113.02424	2.5
119.03513	0.9
123.08176	1.7
133.02972	1.4
143.03522	0.8
152.07135	0.6
159.03050	0.6
161.04478	3.4
163.11256	0.8
171.36406	0.5
175.04025	0.5
179.05621	1.4
189.12866	1.8
192.06627	0.5
207.13835	4.1
225.14952	1.4
284.03369	0.6
285.04022	1.4
297.04083	2.5
298.04880	1.6
299.05521	2.4
300.06076	0.6
311.05530	0.8
327.05023	7.4
328.05585	0.7
339.05176	1.1
357.06110	5.0
357.14728	0.6
387.20313	2.0
403.50922	0.5
412.40540	0.5
447.09308	6.8
447.22482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
59.01371	100.0
60.01715	0.8
62.66626	0.4
65.03256	0.4
69.50597	3.6
71.01374	10.4
72.98962	0.5
72.99296	2.5
73.02942	3.2
83.01399	1.5
85.02940	5.0
88.98807	2.3
89.02431	6.6
93.03465	0.7
95.01383	1.0
96.96024	0.7
98.20625	0.5
99.00858	2.6
99.74532	0.4
101.02423	9.3
113.02420	5.2
115.92083	0.5
119.03483	1.5
119.05096	0.5
121.02970	1.0
123.04514	3.8
125.02486	1.0
129.78027	0.5
131.03456	0.5
133.01431	0.6
133.02948	4.1
135.04546	3.2
143.03546	0.6
149.02444	1.1
153.09238	0.5
159.03073	0.8
161.02423	10.4
161.04510	10.6
162.02802	0.5
163.04031	0.5
173.04553	1.2
179.03513	1.5
179.05609	0.6
191.05734	0.8
193.06642	1.6
205.12384	0.5
207.08052	2.3
215.34055	0.5
219.08090	3.2
225.09244	2.1
235.07672	2.2
237.05690	0.7
237.09175	6.4
253.08643	8.3
253.11038	0.8
254.09303	0.8
255.10112	0.9
263.07025	2.2
267.12445	2.1
269.08270	2.0
279.06631	0.6
281.08118	3.7
284.03317	0.8
285.03958	2.6
297.04068	1.3
297.07721	2.2
298.04788	0.9
299.05679	1.3
299.09097	7.7
300.09604	0.6
315.08713	6.1
323.07803	1.4
325.07315	1.7
327.05038	5.1
343.08093	2.5
357.06155	1.6
361.09229	1.3
385.09250	1.2
387.20187	15.7
388.20712	1.5
403.10251	12.5
404.10815	1.0
415.35837	0.5
420.16971	0.5
447.08524	1.0
447.13873	6.6
447.22784	1.1
448.14349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
58.00598	0.9
59.01374	100.0
60.01714	1.3
61.26300	0.6
61.98825	6.3
70.12728	0.6
71.01377	14.6
72.99335	0.7
73.02948	3.2
74.02480	0.7
83.01388	1.7
83.05022	1.0
85.02944	4.3
87.00887	1.0
89.02441	13.0
95.01373	1.0
96.95935	0.7
97.04041	0.6
99.00885	1.2
99.04549	1.4
101.02429	10.8
113.02438	6.7
113.48880	0.5
114.02831	0.6
119.03499	5.2
125.63009	0.7
131.03531	0.9
140.93971	0.5
143.03506	1.7
149.04630	0.7
155.08289	0.6
159.02988	0.8
161.04581	4.2
163.11270	1.2
179.05656	1.9
183.07719	1.8
202.80420	0.6
207.10277	5.4
207.13954	2.0
223.13467	1.0
225.02048	0.6
225.15010	1.8
227.06786	4.0
267.12332	5.5
327.05157	0.8
387.20212	34.4
388.20636	3.3
398.74994	0.6
447.18509	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96572	0.4
57.03448	0.8
59.01373	100.0
60.01719	1.2
60.99300	3.1
61.98823	4.7
67.54720	0.4
67.68090	0.4
69.03454	0.6
71.01375	7.6
72.99301	0.9
73.02946	1.9
77.77278	0.4
78.28213	0.4
85.02943	2.4
87.00883	0.9
88.98795	23.7
89.02434	8.0
91.55524	0.4
95.01394	0.5
96.95999	1.0
100.79366	0.4
101.02435	5.8
105.95445	0.4
108.00140	0.4
108.02156	0.4
109.02950	0.4
113.02436	3.4
117.17859	0.4
119.03474	3.2
122.68786	0.4
123.08178	1.3
135.04535	0.7
137.02444	0.6
138.03278	0.7
139.11287	1.0
143.03519	0.9
156.95905	0.5
161.04510	5.3
163.11292	1.3
173.04543	1.8
179.05582	4.9
183.10216	7.4
189.12917	1.1
191.05704	0.6
207.13828	3.6
225.07719	0.7
237.09177	0.5
253.08600	0.7
263.40460	0.4
267.12387	2.0
281.08466	0.5
284.03302	1.5
285.03989	3.5
299.09308	0.5
327.05130	0.7
357.15427	4.8
361.08942	0.7
387.20322	1.8
403.10532	0.5
447.09552	2.0
447.22443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96572	0.4
57.03448	0.8
59.01373	100.0
60.01719	1.2
60.99300	3.1
61.98823	4.7
67.54720	0.4
67.68090	0.4
69.03454	0.6
71.01375	7.6
72.99301	0.9
73.02946	1.9
77.77278	0.4
78.28213	0.4
85.02943	2.4
87.00883	0.9
88.98795	23.7
89.02434	8.0
91.55524	0.4
95.01394	0.5
96.95999	1.0
100.79366	0.4
101.02435	5.8
105.95445	0.4
108.00140	0.4
108.02156	0.4
109.02950	0.4
113.02436	3.4
117.17859	0.4
119.03474	3.2
122.68786	0.4
123.08178	1.3
135.04535	0.7
137.02444	0.6
138.03278	0.7
139.11287	1.0
143.03519	0.9
156.95905	0.5
161.04510	5.3
163.11292	1.3
173.04543	1.8
179.05582	4.9
183.10216	7.4
189.12917	1.1
191.05704	0.6
207.13828	3.6
225.07719	0.7
237.09177	0.5
253.08600	0.7
263.40460	0.4
267.12387	2.0
281.08466	0.5
284.03302	1.5
285.03989	3.5
299.09308	0.5
327.05130	0.7
357.15427	4.8
361.08942	0.7
387.20322	1.8
403.10532	0.5
447.09552	2.0
447.22443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2592
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
55.01869	0.6
57.01219	0.3
57.03439	0.4
58.00586	1.0
59.01373	81.3
59.64442	0.3
60.01709	0.4
69.43712	1.7
69.44123	0.7
71.01371	16.2
72.99309	1.2
83.01396	1.0
85.02942	4.0
87.00881	0.5
89.02434	15.9
95.01381	1.3
95.05032	0.7
96.61481	0.3
101.02430	11.1
102.05611	0.4
103.33561	0.3
111.00900	0.4
113.02424	7.0
119.03489	6.0
125.02504	0.3
131.03529	0.5
143.03409	0.6
149.04471	0.3
177.84073	0.3
179.05556	0.8
238.39914	0.3
249.18549	1.2
250.18758	0.3
267.19623	2.2
275.09344	0.4
289.49161	0.3
300.37802	0.3
307.08109	0.4
342.14258	0.3
429.24878	4.8
430.25266	0.6
447.25903	100.0
448.26279	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	447.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
59.01375	6.3
61.98827	2.6
69.92986	0.6
71.01393	1.1
71.41398	0.9
78.95900	2.3
80.75349	0.7
96.95968	1.2
97.48226	0.6
99.82185	0.6
101.02408	0.9
107.08674	0.7
121.02946	1.8
122.02519	1.0
133.17421	0.7
139.11206	0.8
141.12892	1.0
152.99570	4.1
161.63651	0.7
171.10248	24.2
183.10252	2.6
185.11751	0.8
231.21062	0.7
236.94389	0.7
263.20261	3.6
275.20117	7.6
284.03210	0.9
285.03873	2.4
293.21216	16.0
311.22238	100.0
312.22556	6.8
447.09451	1.4
447.18246	1.3
447.27454	14.3
448.28015	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	447.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
63.05474	0.1
69.80719	0.6
71.01378	0.7
73.02964	0.1
83.01376	0.2
85.02937	0.7
89.02440	0.3
101.02435	2.3
131.03474	0.5
133.02933	0.4
133.12849	0.1
149.02431	0.1
151.00317	0.3
161.04489	0.2
163.06100	3.7
190.33011	0.1
199.03960	0.2
222.40915	0.1
251.31166	0.1
283.26364	100.0
284.03171	1.2
284.26697	7.1
285.03989	3.7
286.04343	0.3
327.04892	0.3
342.39163	0.1
447.09186	1.5
448.09595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	28.9
61.98822	100.0
64.40906	1.2
69.77703	7.7
71.01376	10.4
73.02941	7.4
83.01392	2.3
85.02934	3.5
87.00851	1.7
89.02423	5.0
89.98563	1.3
93.69910	1.4
96.96000	36.3
98.19908	2.8
101.02445	12.4
101.10311	1.3
113.02456	7.9
119.03509	2.9
119.05004	11.7
124.01644	1.8
132.14423	1.3
135.04466	1.8
154.01477	2.0
161.04529	3.6
195.06726	1.5
281.10272	17.8
282.10800	1.6
299.11115	3.5
319.71210	1.5
326.66327	1.5
334.71469	1.5
341.12326	11.4
377.37799	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	448.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	27.4
61.98822	100.0
69.24731	0.5
70.17461	0.5
71.01369	12.1
71.61433	0.8
72.99292	0.8
73.02943	8.4
79.44104	0.5
80.54683	0.6
83.01386	2.9
85.02944	2.9
89.02436	7.3
95.01403	0.8
96.95995	2.8
101.02429	11.8
105.96358	0.5
113.02428	6.1
117.97424	0.5
118.11761	0.5
119.03543	3.2
119.05010	9.6
125.02431	1.1
131.03517	1.9
135.04527	3.9
135.05452	0.6
137.06064	0.8
143.03499	1.2
143.04555	0.7
149.04506	2.5
154.01442	7.7
159.78242	0.7
161.02444	0.6
161.04529	4.3
179.05544	1.0
195.06555	1.3
202.53271	0.5
253.95329	0.5
281.10272	17.2
282.10474	0.6
284.65436	0.7
286.13004	0.7
299.11240	3.5
303.82767	0.6
315.10834	1.7
341.12366	13.4
342.12738	0.9
448.10950	1.2
449.20502	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	18.2
60.36989	0.5
61.46883	0.6
61.98820	100.0
67.01868	0.7
69.03455	2.6
69.64967	3.5
70.03004	0.8
79.75740	0.6
83.01363	1.2
84.67745	0.5
85.02940	2.2
85.61513	0.5
92.05065	1.4
93.03416	0.5
94.02990	1.1
100.35953	0.5
104.03508	1.3
106.91344	0.5
108.04558	1.5
118.02971	1.5
118.06611	0.9
120.04563	1.1
121.02953	0.6
121.24224	0.5
122.02489	4.2
124.04026	4.5
126.05560	1.1
130.02942	1.3
136.04131	0.7
137.06052	3.3
146.06102	1.6
148.04065	1.2
148.07701	0.8
149.06055	3.1
150.05576	1.4
152.03552	0.7
152.07140	1.6
157.05432	0.6
162.05602	0.9
167.07074	2.7
172.07686	0.9
173.18634	0.5
176.07175	2.4
178.08743	1.3
179.07111	8.0
180.03070	1.7
180.06656	2.3
190.08679	0.7
192.06635	0.7
194.08266	2.4
200.98289	0.6
204.10170	3.1
206.08345	1.0
222.11325	1.4
224.05664	2.5
224.09224	7.4
236.09232	1.5
238.07230	4.6
248.09587	1.0
266.10272	7.7
268.08270	6.1
286.04260	0.6
359.17261	0.6
448.16013	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	448.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93478	0.7
59.01371	26.0
61.98821	100.0
68.01401	1.1
69.03447	3.1
69.37196	5.0
69.37605	1.6
71.01373	0.8
82.04035	0.8
83.01378	2.1
85.02914	3.9
92.05051	2.3
93.03435	0.9
94.02982	1.5
98.20653	1.4
104.03530	1.8
108.04524	1.6
118.03004	2.6
120.04545	2.2
122.02450	4.3
123.04541	0.9
124.04003	4.9
126.05599	2.3
130.02974	1.8
137.06059	3.9
138.05582	0.8
146.06100	1.8
148.04056	1.6
149.06059	5.9
149.87799	0.9
150.05560	1.2
152.07140	2.3
161.06723	0.8
162.05594	2.2
167.07101	3.5
172.07628	1.0
176.07133	3.1
178.08720	2.4
179.07101	12.8
180.02985	2.5
180.06671	2.5
194.08203	2.5
203.10716	1.0
204.10167	4.7
206.04477	1.0
206.08167	1.0
218.08270	1.1
222.11197	1.3
224.05742	4.0
224.09235	11.0
236.09303	2.2
238.07195	6.6
247.09799	1.2
248.09866	3.0
260.47461	0.8
266.10300	10.1
268.08179	9.7
284.11441	1.0
286.04327	1.5
389.22186	0.8
390.02612	0.8
392.55057	0.8
448.15875	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	448.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01703	2.1
61.98820	2.6
67.01864	1.3
69.03439	5.9
69.63270	7.4
76.52465	1.1
82.13937	1.1
83.01368	2.2
85.02948	4.8
88.04050	2.8
88.37155	1.1
92.05049	2.5
93.03450	1.6
94.02973	2.8
94.98079	4.6
97.07189	1.1
99.22428	1.1
102.03477	1.2
104.03511	2.1
104.05076	1.7
108.04591	1.7
118.02957	3.3
119.04971	1.2
119.23207	0.9
120.04547	4.0
122.02441	6.4
123.03229	2.3
123.04530	3.7
124.04041	10.1
126.05618	2.4
130.02971	2.8
131.03706	1.2
132.04529	3.9
134.06113	1.7
135.04431	1.3
137.06082	7.0
138.05594	30.0
144.08203	1.5
146.06081	3.9
147.04529	1.9
148.04059	2.6
148.07692	2.1
149.06058	5.0
150.05556	1.9
152.07169	4.4
153.05524	2.5
159.06940	1.0
160.96838	1.0
163.07558	1.5
164.07146	15.0
167.07080	3.0
172.07664	2.5
174.05557	1.8
176.07190	4.0
178.08673	2.9
179.07115	18.7
180.03018	3.8
180.06650	3.6
180.10204	1.2
190.08687	1.9
194.08136	4.0
195.06607	46.2
196.06898	2.0
204.10291	4.8
206.11830	1.7
208.06143	11.9
218.08179	1.5
222.11282	1.8
224.05615	4.4
224.09270	13.9
225.09517	1.2
236.09291	4.0
238.07173	9.6
248.09340	1.7
250.10876	1.5
266.10266	13.4
268.08240	12.3
268.11368	1.7
310.09006	1.1
352.17783	1.5
374.20514	1.0
448.16055	26.7
449.16223	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	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51744	0.2
59.01368	3.2
60.01702	0.6
61.98824	100.0
68.99821	0.8
71.01393	0.4
89.02460	0.5
96.96024	0.3
99.22109	0.2
101.02429	2.7
102.02770	0.4
106.53706	0.2
123.04507	0.5
124.04933	0.3
125.02408	0.3
133.70921	0.2
179.05637	0.2
225.07671	2.1
226.07964	2.6
449.19766	0.3
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	26.0
60.01702	1.7
61.98824	100.0
65.30434	0.5
69.65561	2.9
71.01370	5.4
72.01717	0.8
73.02942	1.1
73.33611	0.5
74.02483	0.5
83.01370	0.7
85.02951	2.3
89.02443	5.1
101.02429	3.6
102.02778	0.8
109.76472	0.5
113.02461	2.9
117.03423	0.5
118.03033	0.6
119.03493	1.7
135.04507	1.6
136.48186	0.5
143.03477	0.7
155.79358	0.5
161.02429	1.0
161.04538	1.8
167.03497	2.6
179.03511	2.0
179.05611	0.6
180.01364	0.7
199.09740	1.3
225.11266	1.0
227.12973	0.6
229.68445	0.5
329.06683	0.5
335.73267	0.7
370.19388	1.1
388.20392	2.8
449.16739	1.9
449.23984	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	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28804	0.2
59.01374	3.5
60.01714	0.3
61.98823	100.0
69.41906	0.5
69.42317	1.3
71.01381	0.8
72.99326	0.2
85.02939	0.4
89.02425	1.1
101.02452	0.7
113.02454	0.5
119.03452	0.6
154.01459	0.3
161.04579	0.2
174.96515	0.2
179.05655	0.3
306.13391	0.2
347.37234	0.3
347.52176	0.2
348.08365	0.3
369.64020	0.2
388.20544	0.5
395.86935	0.2
449.20419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84436	1.7
59.01370	36.5
61.98818	15.2
67.01884	12.5
68.99805	8.9
69.03448	2.9
71.01369	19.7
71.18728	3.3
71.19056	1.9
72.99308	12.4
73.02930	3.1
83.01369	2.3
85.02921	4.9
89.02425	21.7
91.44292	2.1
94.06831	2.0
95.05013	45.7
96.95972	5.2
98.95572	2.8
99.00861	2.6
101.02427	42.5
108.02193	2.2
111.00850	5.3
111.04526	2.4
113.02427	8.3
115.92053	7.8
119.03478	9.5
121.02936	10.5
123.04503	6.3
127.03992	51.8
135.04492	3.3
137.06065	4.2
139.00356	22.0
139.03989	15.7
140.00693	2.3
147.04462	2.7
147.19675	2.0
149.02391	4.6
150.03198	6.7
161.04488	3.6
165.05553	14.7
173.04445	2.8
177.01898	2.9
179.05548	5.5
179.06964	2.3
183.10333	3.3
191.05597	2.4
195.06522	4.7
209.04526	4.4
221.06546	1.9
223.05980	5.4
241.07121	100.0
242.07431	4.9
283.10162	3.0
287.08966	2.5
313.32132	2.2
363.23160	2.0
369.06442	3.1
403.12308	2.9
449.23621	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	449.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79589	1.1
58.00578	1.4
59.01369	17.6
61.98826	5.7
67.01878	11.6
68.99808	7.4
69.03422	1.5
71.01380	12.4
72.99308	6.8
85.02946	3.7
89.02447	10.2
93.03441	1.4
95.01325	1.4
95.05016	52.0
98.20675	1.9
99.04514	1.6
101.02432	38.6
111.00875	7.9
111.04507	1.5
113.02417	3.6
119.03468	5.3
121.02931	11.1
123.04486	3.9
125.02363	2.0
127.03999	56.9
128.04320	2.2
135.13985	1.2
139.00357	28.7
139.03978	17.5
140.04362	1.5
143.03461	2.2
147.04515	1.6
149.02431	2.1
150.03232	2.1
161.04573	1.9
165.05542	8.6
169.18884	1.2
171.03099	1.4
179.05566	2.3
179.06973	1.9
195.06641	1.8
209.04469	3.5
223.06110	1.9
241.07140	100.0
242.07469	4.5
267.06198	1.1
269.14172	1.4
304.93542	1.2
361.89371	1.2
372.80219	1.2
434.87140	1.3
449.13266	1.7
449.24359	2.7
464.50128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1491
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.74682	0.6
59.01372	4.0
61.98811	0.9
62.96401	22.0
71.62179	1.0
78.95892	55.7
80.97456	30.8
80.97809	0.7
96.95979	0.6
149.00069	13.0
179.01115	1.8
205.15900	7.9
210.74994	0.6
242.98213	5.3
285.04105	1.3
285.12668	1.5
286.04184	1.4
287.04443	2.3
355.16736	17.6
356.17120	0.8
385.12805	1.4
385.17767	23.8
386.18002	2.0
397.15314	0.7
410.91507	0.6
449.14905	100.0
449.32031	1.8
450.15256	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	449.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39609	0.4
53.07238	0.5
54.86344	0.4
59.01375	3.1
59.53313	0.5
60.43039	0.5
61.98818	0.9
71.01373	14.2
72.99308	1.8
73.02937	1.0
78.95924	0.9
79.95716	0.4
84.51055	0.4
87.00866	10.6
87.04508	2.2
89.02437	3.0
96.95988	3.0
101.02448	0.9
108.02168	0.5
113.02445	0.6
115.00365	1.6
115.03979	1.0
117.01929	1.3
131.03511	0.6
132.94611	0.7
133.01474	4.1
133.05052	100.0
134.05396	2.2
135.04491	1.0
142.04961	0.5
151.04027	0.5
165.05490	0.6
191.05589	0.9
267.07224	0.6
358.02969	0.6
389.03162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15530	0.3
59.01373	100.0
60.01704	1.0
61.98826	2.5
68.01276	0.3
70.31543	0.8
71.01389	1.1
72.99287	0.3
73.02943	0.6
75.00868	0.3
78.95905	1.0
85.02946	0.9
89.02444	0.7
93.03455	0.4
101.02449	0.7
113.02473	0.6
123.04506	0.4
135.04527	0.7
144.45045	0.3
144.60004	0.3
161.02493	1.0
163.04041	0.3
167.01886	0.4
173.04706	0.3
179.03508	0.6
222.74089	0.3
229.14445	0.8
237.25754	0.3
240.40875	0.3
252.37410	0.3
269.14041	1.0
289.16571	0.8
329.16125	0.5
346.13647	0.3
347.17230	1.7
361.59366	0.3
389.18164	2.3
449.15512	1.3
449.20920	0.5
449.65347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73851	0.7
52.92479	0.6
57.03444	2.2
58.00573	0.8
59.01374	71.6
60.01714	0.8
61.98810	1.2
69.32471	4.8
69.32866	1.5
71.01376	15.3
72.99290	1.6
73.02940	0.8
83.01388	1.2
85.02960	3.1
87.00890	0.7
89.00301	0.5
89.02444	13.8
93.44225	0.5
95.01347	0.9
99.04515	10.0
101.02438	7.3
106.55933	0.6
107.01355	1.0
109.06573	1.1
113.02450	3.3
119.03481	3.9
135.04514	2.0
151.00354	2.3
165.12810	4.1
188.51476	0.6
189.12926	1.3
207.13896	9.9
209.11807	31.7
210.12085	1.2
225.14931	7.7
241.90355	0.6
251.12851	5.8
269.13895	100.0
270.14258	7.4
284.03186	1.6
285.03879	3.8
286.04089	4.8
287.04797	4.7
287.14944	0.8
393.72403	0.7
449.09775	6.9
449.20190	76.5
450.10925	0.9
450.20685	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	449.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97536	0.4
59.01375	1.9
61.98824	4.4
65.52565	0.3
66.84929	0.3
71.01340	0.4
71.61201	0.5
78.95895	51.4
85.02891	0.3
96.96013	0.4
96.96954	5.8
113.02400	0.6
116.92886	1.5
116.97218	0.7
117.01883	0.7
135.04555	0.4
142.45749	0.3
149.09621	0.3
150.98001	1.6
152.99570	100.0
153.99919	1.1
161.02509	0.4
171.00642	4.2
171.10286	0.4
203.50916	0.3
222.43167	0.3
295.22733	0.6
367.16223	0.9
449.23077	15.8
449.28476	0.6
450.23419	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03430	0.9
58.00586	0.2
59.01374	11.4
60.01702	0.3
61.98816	0.4
67.01880	0.2
69.03432	0.9
71.00984	0.4
71.01373	8.1
71.62046	0.3
72.01730	0.3
72.99295	0.8
73.02939	2.6
79.95725	2.0
80.96515	0.6
83.01376	2.5
85.02940	3.8
86.00079	0.5
87.00868	1.7
89.02433	1.2
95.01379	0.8
97.02946	0.6
99.00860	0.9
99.08112	0.3
101.02433	5.4
101.06085	1.1
106.98061	0.9
108.04478	0.2
111.00865	0.9
112.01680	0.2
113.02441	2.6
113.09720	0.5
118.06624	0.2
119.03480	0.6
121.02950	0.2
121.99147	0.2
122.02480	0.3
124.00704	1.6
124.01606	0.4
124.04017	0.3
125.02415	0.6
127.11240	0.3
134.03642	0.2
135.04504	0.7
137.02461	0.2
137.06058	0.5
141.12805	0.3
144.04610	0.2
146.06023	0.2
149.06049	0.2
159.02975	0.3
161.02415	0.6
162.05539	0.3
166.05098	1.5
173.04559	0.4
179.03432	0.9
204.06676	0.2
207.51234	0.2
210.04002	0.6
215.35117	0.2
225.09320	0.3
238.07259	0.3
239.20158	0.3
241.21622	0.5
266.10352	0.2
268.08344	0.3
269.21109	1.8
270.04486	0.2
280.08240	1.5
285.20627	1.4
287.22238	27.4
288.22522	2.1
299.22382	0.2
301.23788	0.5
311.22284	0.2
329.23248	0.4
333.23557	0.2
338.06741	0.8
353.09091	0.4
361.61047	0.2
370.09488	0.4
389.21503	0.3
431.26367	2.8
432.26773	0.3
449.27478	100.0
450.12222	2.2
450.17929	0.5
450.27823	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03432	0.8
58.00594	0.3
59.01372	10.9
68.99812	0.4
69.03436	0.8
69.41895	2.3
71.01374	9.3
72.99291	0.9
73.02933	2.6
79.95728	1.9
80.96494	0.5
83.01373	2.5
85.02943	3.9
86.00089	0.4
87.00863	1.4
89.02439	1.9
95.01363	0.7
97.02966	0.3
99.00863	1.2
99.08133	0.5
101.02437	5.2
101.06065	0.9
106.98053	0.6
111.00861	0.7
113.02425	2.3
113.09669	0.4
119.03448	0.6
119.04958	0.3
124.00708	1.4
124.01611	0.6
125.02422	0.5
129.09184	0.4
134.55922	0.2
135.04498	0.5
135.05473	0.3
146.06180	0.3
161.02437	0.5
166.05096	1.0
210.03996	0.3
218.46774	0.2
241.21613	0.4
269.21188	2.0
280.08209	1.1
285.20724	1.1
287.22235	27.5
288.22559	2.3
301.23782	0.3
310.51974	0.3
329.23108	0.5
338.06641	0.6
389.21582	0.3
431.26324	3.0
449.27475	100.0
450.12009	1.8
450.27853	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	449.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45539	0.2
55.01865	1.2
57.03429	1.0
58.00573	0.4
59.01369	9.9
61.98820	1.4
62.33221	0.2
65.32990	0.2
66.14011	0.2
68.99809	0.4
69.03451	0.5
69.23521	1.8
69.23933	0.4
71.01373	9.0
72.99292	0.8
73.02934	2.5
83.01377	2.5
85.02933	4.4
86.00108	0.3
87.00864	1.2
89.02441	1.9
95.01382	0.7
97.02921	0.4
98.20634	0.5
99.00845	0.8
99.08136	0.5
101.02428	5.6
101.06065	2.2
101.06667	0.3
111.00861	0.8
113.02423	2.4
119.03488	0.5
125.02418	0.9
127.03967	0.3
129.09180	0.3
135.04506	0.4
137.06094	0.3
141.12820	0.6
159.02911	0.3
161.02412	0.4
161.04607	0.3
166.05037	0.2
179.03380	0.4
186.19528	0.2
209.50232	0.2
225.12865	0.2
269.21127	1.6
285.20560	2.2
287.22226	24.3
288.22571	1.8
301.24011	0.3
329.23303	0.5
351.22638	0.2
355.46445	0.2
431.26373	4.4
432.26852	0.4
449.27457	100.0
450.27811	11.0
450.34277	0.3
460.41373	0.4
465.68933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.7
61.98812	1.2
70.99557	0.3
70.99890	0.5
79.95734	2.4
96.95998	100.0
97.95945	0.3
130.08727	1.4
205.64505	0.3
217.43594	0.3
265.95642	0.2
311.09653	0.3
352.17670	0.9
366.88025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85340	0.6
59.01374	27.5
60.37573	0.6
61.98824	100.0
70.26824	0.6
71.01371	7.0
73.02948	1.5
82.23421	0.7
82.95436	1.2
85.02969	2.2
88.04034	0.7
89.02422	4.7
90.59901	0.7
101.02432	4.0
113.02425	3.4
119.03478	1.6
122.60860	0.7
161.04550	0.6
163.11241	1.0
171.10263	1.5
175.62982	0.6
207.10164	3.2
227.06752	0.6
283.05582	0.7
331.17776	1.3
347.17279	1.0
349.18686	1.5
387.16537	41.0
388.16998	3.0
391.19714	1.8
407.19382	2.5
451.17844	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	450.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19118	0.3
57.99075	0.2
59.01373	4.4
60.01697	0.4
61.01815	0.5
61.98822	100.0
65.65419	0.2
70.04202	1.4
71.01378	1.4
73.02924	0.5
79.91478	0.3
85.02945	0.6
89.02430	1.5
98.19922	0.3
101.02450	0.8
106.78199	0.3
108.02139	2.0
109.02935	3.7
113.02427	0.5
119.03516	0.4
125.02480	0.3
125.56368	0.3
134.03496	0.3
135.04491	0.9
152.01118	3.3
153.01912	3.9
161.02417	0.4
179.03369	0.4
181.96500	0.3
191.05618	0.3
203.91772	0.3
297.06363	0.8
299.04944	0.3
300.05060	0.4
301.05792	0.3
302.06100	0.3
315.07254	0.7
315.10849	0.3
328.05377	0.6
330.05978	0.8
357.11948	0.7
360.06860	0.7
364.91550	0.3
391.20215	0.5
407.09717	0.5
450.10114	1.2
451.08591	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	450.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.5
59.63690	0.2
60.01718	0.5
61.01787	0.5
61.98823	100.0
65.50215	0.2
70.04007	1.3
71.01363	1.3
73.02950	0.5
85.02924	0.4
89.02457	0.9
92.88210	0.3
101.02460	0.6
103.72190	0.3
107.45763	0.3
108.02173	0.6
109.02980	0.9
113.02437	0.5
113.42551	0.2
123.04510	0.4
135.04524	0.5
152.01157	0.8
153.01927	1.2
161.02541	0.4
191.05643	0.3
236.05064	0.3
289.20358	0.6
357.12012	0.6
360.06836	0.4
451.08255	1.9
451.25671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.4
60.01700	0.3
61.98822	100.0
71.01370	2.3
71.61975	0.2
71.62352	0.3
72.58797	0.2
73.02943	0.5
79.13128	0.2
83.01379	0.3
85.02946	1.1
89.02429	2.0
92.72020	0.2
93.03456	0.3
95.01395	0.3
96.95979	0.3
99.00897	0.3
101.02427	1.8
107.01383	0.2
109.02944	2.2
113.02445	1.1
119.03474	0.9
123.04529	1.4
125.02431	0.5
126.02803	0.2
133.02963	0.5
134.03262	0.2
135.04517	2.0
137.02455	0.6
151.00374	0.7
152.01135	0.3
153.01909	2.7
153.05527	1.5
161.04590	0.5
179.05576	0.3
189.41910	0.2
195.02942	1.1
208.91066	0.2
225.81035	0.2
227.09293	0.3
228.09547	0.3
239.16467	0.2
255.05099	0.9
287.04242	0.2
289.20206	0.5
297.06155	0.8
300.05032	0.5
301.05829	0.3
302.06537	0.5
315.10696	1.1
327.05179	0.3
328.05328	1.2
329.05560	0.8
330.05920	2.4
358.06360	0.2
359.06787	0.3
360.03268	0.2
360.07028	0.9
450.10229	1.5
451.12549	8.1
451.25565	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	451.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.5
61.98817	0.2
69.72041	1.1
71.01346	0.3
78.95885	0.4
79.95719	1.9
85.02950	1.3
87.00871	0.3
89.02443	0.4
93.03436	0.4
96.95999	100.0
97.95950	0.3
98.95603	0.3
111.04521	0.3
111.99841	0.2
127.04002	0.3
135.04500	0.4
161.02423	0.5
173.04626	0.2
191.05582	22.9
192.05914	0.6
220.93851	0.2
257.02170	0.2
353.08746	4.1
354.08820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.98820	0.6
63.61348	0.2
71.01369	0.6
71.61658	0.3
73.28877	0.2
78.95892	0.6
79.95720	2.0
85.02945	1.7
87.00843	0.4
89.02452	0.5
93.03452	0.7
93.18035	0.2
94.57760	0.3
96.95998	100.0
97.95928	0.4
101.02435	0.3
109.02942	0.3
113.02396	0.4
127.03944	0.3
130.96413	0.3
135.04524	0.6
150.03185	0.3
161.02435	0.6
173.04558	0.3
176.77962	0.2
191.05582	33.1
192.05959	0.9
203.06978	0.2
223.88490	0.2
225.40471	0.2
239.05531	0.4
241.05058	0.3
278.96002	0.3
346.66373	0.2
353.08691	6.3
354.09195	0.4
451.05591	0.4
451.11951	0.3
451.18063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41992	0.2
59.01372	1.4
59.75363	0.2
61.22459	0.2
61.98812	0.2
70.96391	0.2
71.01356	0.5
71.61771	0.2
75.01223	0.2
79.95730	2.2
82.95387	0.8
85.02934	0.3
89.02457	0.4
93.03452	0.5
96.96001	100.0
97.95919	0.3
98.95586	0.3
101.02423	0.4
113.02458	0.4
127.03944	0.2
135.04514	1.1
143.04636	0.2
160.69287	0.2
173.04494	2.2
173.05795	0.2
174.04863	0.2
179.03455	1.3
187.71048	0.2
191.05542	1.7
289.07312	0.2
332.51065	0.2
336.08658	0.5
353.08646	2.1
401.23825	0.2
403.80615	0.2
451.17859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45716	0.3
59.01367	1.0
63.66400	0.3
64.35930	0.3
70.12885	1.5
71.01366	1.2
73.02935	0.3
76.21951	0.3
78.95895	1.5
79.95734	0.9
85.02940	5.0
87.00871	1.0
91.61989	0.3
93.03440	2.8
96.96002	48.2
96.96881	1.6
105.47475	0.3
109.02917	0.4
111.04496	0.7
113.02462	0.4
127.03990	1.9
133.02950	0.5
135.04500	4.5
155.03436	0.5
161.02434	1.7
173.04535	2.7
176.41666	0.4
179.03488	3.8
191.05588	100.0
192.05928	3.1
245.03143	0.3
247.58157	0.3
261.02783	0.3
264.76233	0.4
315.47299	0.4
353.08618	20.5
354.08936	1.9
389.98911	0.3
469.53235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16677	0.3
59.01371	3.1
61.28153	0.3
61.29348	0.3
61.98556	0.4
61.98823	3.7
69.03432	0.8
71.01372	1.6
71.62333	0.4
72.99271	0.3
73.02924	0.7
75.00857	0.3
79.62595	0.3
81.03451	7.2
83.01363	0.4
83.05018	19.8
84.05330	0.3
85.02943	0.9
89.02429	0.5
90.98588	1.9
93.03443	2.8
95.01357	0.6
97.02924	0.7
101.02448	1.4
104.82571	0.3
107.01379	0.7
107.06110	0.8
108.04527	0.9
108.28033	0.3
113.02448	0.6
117.02004	0.3
121.02911	0.4
123.00874	2.9
123.04476	0.4
124.01659	7.2
125.02439	14.6
125.07202	2.5
126.05621	0.5
126.07464	0.3
128.91129	0.3
135.04503	0.7
137.02435	6.3
138.02856	0.3
139.00383	0.4
143.08237	1.3
149.02441	0.3
149.99573	10.7
151.00281	0.6
153.01942	0.5
153.09184	0.8
161.02425	0.6
167.03416	0.9
168.00621	21.8
169.01332	2.3
179.03448	0.8
191.05432	0.4
197.08121	1.1
207.15033	2.7
224.17664	3.7
225.16045	11.0
226.16331	0.6
227.12822	0.7
227.16505	0.7
242.18660	1.4
250.15483	0.4
271.15427	0.8
281.06650	1.4
287.14999	0.6
290.22375	0.4
309.21777	0.6
313.05554	1.2
324.26663	1.7
331.06653	3.8
333.22900	4.0
341.29117	0.3
351.23853	1.2
354.36249	0.3
367.26828	1.4
391.19760	0.6
433.07922	0.6
433.31802	5.7
434.32062	0.5
451.08713	36.9
451.22079	2.7
451.32828	100.0
452.08978	3.4
452.33118	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	451.1242
Annotation	Catechin-4-ol 3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.01876	0.6
56.83583	0.4
57.03431	0.9
58.00570	1.0
59.01373	21.6
61.98824	20.3
67.18333	0.5
69.24049	5.0
71.01379	12.4
72.99305	1.1
73.02946	1.3
81.04546	0.5
83.01371	1.9
85.02940	3.2
89.01901	1.1
89.02437	16.5
95.01373	1.2
97.02936	0.4
98.20653	1.2
99.00874	0.9
101.02431	10.4
107.01351	1.7
108.02207	0.9
109.02941	25.4
111.00905	1.2
113.02426	7.0
116.77992	0.5
119.03511	6.7
121.76811	0.5
123.00866	1.0
123.04512	8.3
124.01618	1.1
125.02410	2.1
131.03484	1.8
134.87715	0.6
135.04510	22.3
136.04849	1.0
137.02417	1.1
149.02420	0.6
149.04526	1.7
150.42461	0.4
151.00308	2.9
151.03992	0.8
152.01132	3.9
153.01915	31.7
153.05548	7.8
154.02257	1.1
161.04541	0.8
169.01393	0.5
179.03607	0.7
179.05540	0.9
182.65862	0.5
195.02959	14.6
196.03307	0.6
238.33620	0.5
255.05074	9.2
289.20245	0.6
297.06131	7.6
315.10800	13.8
316.11111	0.8
319.17813	0.7
423.06738	0.5
451.12451	100.0
452.12744	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88877	0.3
59.01376	1.4
61.98824	100.0
63.41101	0.3
69.03445	0.4
69.69902	1.8
98.20596	0.7
99.00862	0.3
101.94395	0.3
102.71182	0.3
109.01715	0.3
112.98840	0.4
113.02454	0.3
127.21996	0.3
132.61826	0.3
152.74266	0.3
154.58708	0.3
166.05093	0.9
167.05428	0.5
189.99223	0.4
199.34377	0.4
201.81825	0.3
210.04128	0.3
223.13449	0.3
280.08289	0.7
281.08752	0.7
287.22253	6.6
288.22717	0.7
311.07693	0.3
327.24677	0.3
348.76068	0.4
385.97836	0.4
450.27826	1.9
451.12735	0.4
451.28857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00468	3.0
56.66746	3.3
59.01371	66.8
61.98814	15.3
67.01902	4.7
68.99801	12.8
71.01380	7.9
71.62003	5.5
84.02631	3.3
85.02953	4.6
89.02436	4.8
91.05511	3.9
92.13300	3.2
93.03456	7.9
99.00861	10.3
99.04541	5.1
101.02431	16.2
119.05019	28.5
121.02925	6.0
127.04002	19.8
133.03036	3.9
135.04488	11.4
137.02425	15.5
137.06102	8.5
151.07616	24.5
153.05594	27.1
160.02586	4.1
161.02419	3.4
163.03998	10.4
179.03455	10.3
195.06598	100.0
196.06943	5.0
224.40709	3.4
237.41925	3.5
239.05566	38.8
245.15512	5.3
255.31711	3.5
271.08282	26.4
289.14462	9.3
315.12405	8.1
343.27118	3.7
385.82162	4.1
391.14117	4.6
408.17981	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	451.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
55.82364	1.6
58.84180	1.2
59.01374	100.0
60.01698	1.8
60.95379	1.4
61.98829	9.2
69.03420	1.4
69.30000	12.8
71.01373	19.4
73.02943	7.0
76.02555	1.2
83.01374	4.1
85.02958	12.0
87.00861	2.4
88.98769	2.4
89.02429	4.5
95.01368	2.5
98.19872	2.3
99.00861	2.7
99.04511	1.9
101.02437	19.6
102.28235	1.7
113.02454	9.3
115.77557	1.2
125.02431	1.7
133.15422	1.6
133.59329	1.3
147.86334	1.3
161.04578	1.9
185.11807	7.1
203.12874	5.1
300.04468	1.6
347.17068	23.5
348.17361	2.6
365.18179	18.9
366.18524	1.7
391.19690	48.3
392.19876	3.5
407.19162	97.0
408.19473	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	451.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.9
59.01095	3.2
59.01374	43.3
60.06858	1.9
60.99292	1.8
61.98825	3.5
67.01847	2.2
68.99805	4.7
69.03450	2.8
69.67729	7.2
71.01367	22.4
72.99331	2.4
73.02924	2.9
81.07098	4.1
83.01367	3.7
83.11144	1.5
85.02940	8.9
88.98800	14.6
89.02427	19.1
93.03465	2.5
93.07106	1.9
95.01366	3.0
95.05043	1.9
96.95987	7.1
97.02921	1.8
98.20601	2.9
99.04496	4.7
101.02441	18.1
103.08993	1.5
107.05032	10.7
111.00866	3.6
113.02442	13.3
119.03483	7.6
119.08628	2.5
120.05762	2.7
121.06588	3.8
125.06089	1.7
127.04003	5.3
133.10226	3.2
135.04512	3.3
135.08186	1.7
137.06041	2.2
139.00398	3.3
143.08620	4.0
145.10226	3.1
152.03519	1.9
161.02486	2.3
161.04504	2.7
179.03400	2.5
179.05661	4.0
199.04030	3.4
199.14896	2.0
201.16467	100.0
202.16805	5.0
214.06303	2.1
225.12810	3.0
225.16460	3.8
227.14404	18.1
243.17538	2.9
245.15431	70.7
246.15759	5.3
269.15488	8.3
271.06216	1.8
271.13339	3.1
287.16394	2.1
289.14420	67.6
289.17642	3.3
290.14746	4.6
291.08743	11.8
317.10120	3.7
331.15472	2.9
451.13742	5.5
451.19278	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	451.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16336	1.2
58.00584	2.1
59.01370	46.0
61.98810	3.6
69.36717	8.8
69.37132	2.9
71.01373	27.1
72.99307	1.8
73.02938	2.1
79.05502	2.2
81.07077	2.7
83.01390	2.1
85.02940	6.2
89.02431	21.4
90.25485	1.3
95.01364	3.7
95.05003	2.7
97.02978	1.7
98.20604	2.5
99.04501	6.5
101.02438	14.6
103.44897	1.2
107.05013	11.1
107.08647	1.8
113.02424	18.1
119.03503	7.9
119.08594	1.9
120.05782	4.3
121.06548	4.4
121.10229	2.4
133.10201	4.1
135.04474	1.5
135.08176	2.5
143.03481	2.6
143.08607	2.9
145.10190	4.4
147.11794	2.0
152.04791	2.0
161.04506	3.3
171.08087	1.4
179.05592	3.6
197.13202	1.7
199.11234	2.3
199.14815	3.7
201.16455	100.0
202.16743	7.6
222.25034	1.3
225.12827	4.7
225.16377	4.4
227.07143	1.4
227.14360	24.6
228.14720	1.6
245.15414	62.7
246.15793	3.9
269.15353	11.4
271.13303	2.4
287.16455	3.6
289.14398	48.4
289.17633	2.3
290.14645	3.4
310.88342	1.3
331.15326	2.8
451.19620	3.4
473.97375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	79.8
61.98837	15.6
69.03448	12.7
69.32983	42.4
69.33413	40.6
69.59445	9.0
71.01371	24.7
73.02941	12.5
83.91291	10.7
85.02902	14.1
89.02443	16.6
93.03426	27.4
95.04999	13.8
97.02948	9.6
99.35051	9.4
101.02400	23.1
107.04989	15.1
111.00871	22.9
120.99647	11.6
121.02928	16.7
123.04483	48.9
135.04529	30.0
137.02396	40.5
137.06041	17.5
139.00325	33.7
151.04008	100.0
153.05528	33.4
161.02411	24.1
181.05101	16.0
191.05678	11.1
291.04932	13.4
323.07477	17.8
450.66281	9.9
451.08249	13.8
451.20865	26.8
451.28976	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44714	9.3
53.23184	10.6
55.69454	13.0
59.01360	29.6
61.98813	54.2
69.47430	37.0
69.47858	55.6
71.01382	11.6
79.37653	11.3
84.61246	10.4
98.19893	24.1
129.81310	11.4
173.04480	17.2
233.17795	11.3
451.20972	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	451.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70932	3.9
51.83089	4.2
53.34797	3.5
54.41704	4.1
59.01368	8.1
61.98819	5.2
64.21092	3.3
69.03442	6.3
70.88342	11.1
81.52367	3.4
83.04999	4.4
84.44649	3.5
88.12173	3.6
94.48910	3.9
97.06589	7.3
99.04461	7.3
111.04517	6.1
111.08166	6.2
121.06586	28.1
126.97628	3.9
139.07672	27.7
141.05547	5.5
159.08417	18.3
231.11835	4.2
267.26984	5.3
307.14932	3.9
376.00922	4.3
407.35220	62.8
408.35538	5.8
409.33209	20.0
451.28256	6.7
451.34177	100.0
452.34717	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	452.2777
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.96254	0.4
55.85483	0.4
62.96363	0.4
63.60562	0.4
65.55045	0.4
78.95895	17.0
83.92263	0.3
88.13960	0.4
103.01934	0.4
122.00140	1.0
140.01172	4.9
147.33263	0.4
152.99573	1.6
194.82233	0.4
196.03766	9.9
214.04837	2.1
231.72646	0.5
255.23259	100.0
256.23566	5.4
285.69318	0.4
372.68460	0.4
407.29218	0.6
452.10950	2.6
452.27768	31.7
453.11758	1.3
453.28094	3.6
453.33865	0.7
459.40314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52591	0.4
59.01362	1.2
67.90951	0.5
71.01167	0.6
71.07265	0.4
72.99285	0.6
73.02942	0.4
78.95892	97.0
87.00861	2.3
89.02441	0.4
98.20216	0.5
101.02438	0.9
108.90177	3.4
108.90858	0.5
110.89902	28.6
110.98514	100.0
111.98885	0.9
112.98780	0.9
115.00375	0.7
119.03414	0.5
125.79380	0.4
129.01898	0.4
133.04993	0.7
145.01451	0.9
152.99521	0.9
156.83511	0.4
179.05562	0.5
191.05594	1.0
453.10477	7.2
454.11124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	10.8
61.98824	100.0
71.01379	11.6
73.45467	7.1
74.64543	5.9
89.02442	9.3
106.90714	5.9
108.86754	5.7
121.02937	13.8
122.21157	5.9
135.04491	7.3
161.02461	14.9
163.53305	6.7
299.88428	7.4
453.13336	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	453.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	35.1
67.01881	39.1
68.89600	5.6
68.99799	20.0
69.03437	26.2
70.88777	9.8
70.89167	6.2
73.02983	5.1
95.01358	6.3
95.05011	36.8
98.44876	4.4
99.04498	61.8
101.02431	55.3
111.00128	8.2
111.00864	100.0
115.83463	4.1
121.02915	27.5
127.03988	14.6
137.06059	18.9
139.00340	7.5
139.03983	5.9
143.03477	4.8
169.88780	4.4
181.05032	61.9
213.07637	81.9
214.07990	4.7
259.09772	21.8
291.08688	72.8
361.12878	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	453.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12486	1.1
59.01374	46.8
60.47229	1.0
60.49859	1.2
61.98819	3.4
69.56982	7.9
71.01379	25.9
72.99291	1.6
73.02922	6.8
82.31237	1.2
83.01371	2.7
83.05029	1.2
85.02945	6.5
89.02433	26.1
95.01372	3.2
98.20648	2.6
101.02446	13.6
107.05024	2.8
109.06574	46.2
110.06934	2.6
111.08150	4.6
113.02431	13.3
119.03533	7.4
119.05009	23.5
120.05363	1.1
127.07642	77.7
128.07990	2.5
135.04477	1.7
137.06070	4.6
141.09203	13.9
148.92282	1.2
149.04524	1.9
151.07625	2.8
153.05533	8.4
154.05170	1.3
161.02412	1.8
161.04488	2.3
169.08607	5.7
171.06581	4.4
174.38969	1.1
179.03539	1.3
179.05573	1.2
208.37149	1.1
281.10294	5.1
299.11401	7.6
326.87054	1.2
405.68484	1.3
423.49054	1.3
453.17581	100.0
454.18024	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	453.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15304	1.3
54.11301	1.6
58.00593	1.7
58.13338	1.3
59.01373	97.2
61.98818	3.1
69.92238	7.1
71.01372	64.4
72.99274	2.1
73.02936	9.0
74.88575	1.4
83.01374	1.9
85.02943	12.4
87.00857	3.0
88.98811	2.0
89.02434	100.0
89.83628	1.4
95.01361	2.4
98.20508	2.6
99.00889	3.2
101.02431	35.1
113.02432	19.5
119.03487	21.8
130.28726	1.3
131.03494	18.7
143.03467	6.0
149.04530	53.3
161.04501	6.5
165.11261	1.4
169.90706	1.3
179.05583	22.5
180.05989	1.5
191.05573	6.7
229.14397	2.0
251.07603	1.7
261.13397	15.4
293.95013	1.4
377.42279	1.5
393.17599	61.8
394.17960	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	453.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	46.2
60.92477	6.1
61.98823	31.6
71.01383	18.8
71.61177	8.6
73.02892	13.0
75.29107	6.7
78.95905	8.8
85.02946	10.4
89.02431	36.0
101.02450	14.1
109.06561	57.4
111.08179	7.0
119.03469	15.5
119.05025	25.9
127.07626	76.4
141.09189	14.6
149.58960	6.4
153.05589	6.9
161.02336	9.2
192.21326	6.1
299.11240	11.1
336.65784	6.8
453.17532	100.0
453.22806	22.6
454.17734	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	453.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95893	12.1
97.26736	5.6
158.12605	6.1
175.76233	5.7
253.19263	8.4
253.21617	36.8
255.23227	16.4
256.23639	52.3
355.46759	6.6
390.03281	6.0
453.27795	10.3
453.34317	100.0
454.34225	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	453.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33660	2.8
53.09325	2.7
58.25260	3.4
59.01364	3.9
61.98802	5.0
69.64983	20.5
71.01377	16.5
87.03752	2.8
89.02425	7.0
90.29660	2.7
91.31244	3.0
98.19949	6.6
123.97102	2.8
158.15584	3.2
163.91193	3.1
166.41173	3.2
186.96335	2.9
228.22273	3.1
241.11792	3.3
255.23265	100.0
256.23560	9.6
269.24933	5.8
279.22968	3.2
297.24173	7.4
327.25366	3.2
453.26096	7.2
453.33557	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65937	7.6
59.01356	10.9
61.98823	11.5
67.22233	7.3
78.95911	16.3
90.20708	8.9
92.86166	7.6
105.50181	7.7
253.21591	39.6
256.23602	26.8
453.28763	100.0
453.34232	55.0
454.29486	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25980	1.1
51.18607	1.0
51.64605	1.1
63.23007	1.0
71.61967	1.4
71.62360	1.4
87.78281	1.0
102.96757	1.2
112.80396	1.0
121.17648	1.0
130.65280	1.0
159.14409	1.0
181.45851	1.2
246.51683	1.1
266.89948	1.4
279.24176	1.1
297.99194	1.1
309.35675	1.0
345.49707	1.2
453.33673	100.0
454.34061	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	453.3369
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
52.81687	0.3
69.12307	0.3
70.68187	0.8
70.68542	0.5
110.40147	0.3
129.67004	0.3
172.27895	0.3
279.23248	0.4
407.33130	0.7
453.33685	100.0
454.34006	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	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
72.26821	0.2
73.23878	0.2
98.19879	0.4
107.76359	0.2
144.51462	0.2
155.87646	0.2
164.90181	0.2
175.55684	0.2
211.03610	0.2
234.87103	0.2
238.02957	0.2
440.88940	0.2
453.33652	100.0
454.33963	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	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
61.98821	0.4
78.90539	0.2
113.06078	0.4
332.07632	0.3
407.32953	0.3
451.34604	0.3
453.33649	100.0
454.33984	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	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
72.26821	0.2
73.23878	0.2
98.19879	0.4
107.76359	0.2
144.51462	0.2
155.87646	0.2
164.90181	0.2
175.55684	0.2
211.03610	0.2
234.87103	0.2
238.02957	0.2
440.88940	0.2
453.33652	100.0
454.33963	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	454.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	0.5
58.02960	3.0
59.01369	6.5
61.98816	2.0
66.87441	0.4
71.01374	9.0
71.62213	0.4
72.99303	0.7
73.02938	1.5
73.03501	0.4
83.01377	0.9
85.02938	3.4
87.00861	0.8
88.98782	0.4
89.02428	3.4
92.01359	0.3
95.01344	0.6
96.96004	0.5
99.00858	0.6
99.04495	1.0
100.07663	1.3
101.02431	3.2
107.05016	0.6
111.04505	1.4
111.71230	0.3
113.02439	4.1
114.05593	100.0
114.09216	4.4
115.05952	2.0
117.03365	0.5
119.03484	1.1
123.04491	4.5
128.07141	0.7
132.33641	0.4
133.02921	0.7
134.27412	0.4
135.04507	19.5
136.04866	0.5
137.02437	0.4
138.05591	2.3
142.08719	5.1
143.03549	0.4
144.94023	0.3
153.05566	5.5
156.06636	84.1
157.07008	2.7
161.02431	1.1
161.04564	0.4
163.82874	0.3
170.08200	12.3
179.03474	0.7
190.59563	0.4
195.73032	0.4
198.07681	3.4
202.80048	0.4
228.08940	0.4
297.09750	28.4
298.10147	1.9
315.10803	9.7
316.11005	1.0
358.12210	0.4
454.17303	8.5
455.17404	0.9
459.16653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97072	0.5
55.70583	0.4
59.01376	0.7
60.07566	0.5
61.98822	100.0
69.22344	0.5
70.80315	0.4
71.61962	0.8
99.12843	0.5
135.04465	0.4
228.43629	0.5
455.31485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19791	10.4
58.18466	11.0
59.01376	100.0
61.98813	32.7
67.13445	9.4
71.01379	71.0
71.31491	9.7
71.31824	16.6
72.99297	13.1
73.02950	14.6
75.00877	17.8
78.95898	22.0
85.02917	16.8
87.00871	13.5
89.02454	78.9
96.96016	86.4
96.96950	23.9
97.79128	11.0
98.95594	18.1
99.00889	24.8
101.02411	56.5
113.02425	23.0
135.04515	11.4
137.02405	12.7
141.01723	18.8
143.03558	12.5
149.04532	28.5
151.03964	13.0
153.05637	15.3
154.55089	9.2
161.04536	16.1
191.05528	16.9
259.16272	10.9
263.11429	24.2
325.64792	9.4
329.06525	11.9
395.15439	70.8
455.09769	44.1
455.35236	22.7
465.69922	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	455.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83151	1.7
54.06766	1.8
57.23902	1.5
59.01371	75.3
61.98822	100.0
68.99563	26.9
69.23129	13.9
69.23535	3.3
71.01367	5.3
75.00823	1.8
89.02409	3.0
96.95994	2.4
98.19782	3.5
101.02432	3.2
112.98553	33.2
113.02470	2.3
121.02927	8.2
125.49478	1.7
135.04488	4.1
135.23804	1.4
139.04018	7.8
140.61047	1.5
145.02916	1.7
149.99840	1.7
161.02377	3.1
173.04549	1.6
179.03386	2.3
197.11807	1.8
211.13365	3.3
227.54855	1.6
249.18498	6.5
291.08655	2.2
293.17603	12.8
309.20688	5.0
311.09592	2.8
352.68411	2.5
399.15897	2.0
444.90076	1.9
455.25940	2.4
455.35806	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	455.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91796	3.6
59.01375	46.3
65.63162	4.0
67.01871	10.1
68.99803	33.1
71.01395	4.7
75.85533	3.8
81.03439	6.5
85.02941	18.4
86.50789	4.1
87.14308	4.0
93.03461	6.5
101.02436	51.2
111.00873	26.3
115.42631	4.2
125.02423	6.9
127.04009	36.4
135.04503	9.7
137.06024	9.3
139.00323	11.7
143.03482	5.2
153.01984	5.7
171.02936	9.4
179.03474	17.9
219.47894	4.2
275.09125	6.2
291.08737	100.0
317.10184	18.6
406.25589	4.7
455.34988	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	455.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47681	0.2
59.01358	0.9
61.07970	0.2
66.21256	0.2
69.35391	1.9
71.01366	0.5
74.02365	0.2
75.01676	0.2
79.95724	2.7
85.02941	0.3
86.12894	0.2
87.00846	0.2
89.02424	0.4
96.95997	100.0
97.95973	0.3
98.20633	0.5
101.02428	0.4
105.37990	0.2
113.92597	0.3
123.04530	0.5
133.02924	0.5
135.04494	0.3
138.93738	0.3
161.02425	1.1
163.03990	0.2
183.10191	0.6
242.98546	0.3
304.36029	0.2
357.15469	0.8
428.71753	0.2
429.44235	0.2
455.11633	0.7
455.24557	0.5
455.35330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23734	0.3
56.21605	0.2
59.01369	1.4
61.98822	100.0
69.40110	2.2
74.07517	0.3
89.02436	0.4
127.56207	0.3
129.47255	0.3
134.09111	0.3
135.04509	0.5
144.43669	0.2
152.03542	0.3
161.02504	0.5
171.87953	0.3
173.11826	0.3
179.03534	0.5
268.28683	0.3
455.35147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.3
60.85630	0.3
61.98824	100.0
71.01383	0.3
71.31400	0.3
71.62122	0.3
74.51768	0.3
84.34334	0.3
92.52650	0.3
101.02443	0.4
113.02448	0.4
116.94451	0.3
121.03016	0.4
151.54799	0.3
171.98871	0.3
182.64442	0.3
233.11896	0.9
335.12631	1.1
399.37738	0.3
449.72107	0.3
451.10583	0.4
455.35529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
58.00580	3.2
59.01375	74.1
67.01879	2.5
69.03442	8.1
71.00985	4.2
71.01376	78.7
72.01736	2.1
72.99293	6.1
73.02944	11.4
75.00870	40.1
78.95879	6.4
81.03460	4.3
83.01366	4.6
85.02934	12.7
87.00879	2.9
87.26028	2.0
89.02438	100.0
91.22517	2.5
93.03398	2.3
95.01367	3.4
96.95975	4.0
96.96938	6.2
97.02965	9.8
99.00861	6.2
101.02438	30.5
101.06074	63.8
105.01955	2.1
107.01345	2.4
109.39301	1.9
110.34724	2.0
111.00868	2.6
112.10362	2.0
113.02427	11.5
115.04012	2.7
119.03472	4.0
119.10233	1.9
119.79358	2.3
125.02438	37.4
131.03482	21.6
135.04555	3.5
143.03477	4.2
149.04546	49.5
161.02443	5.0
161.04543	3.2
173.04520	6.0
179.03633	2.2
182.81027	2.2
191.05583	9.5
233.06654	10.5
293.08771	87.9
294.09036	3.0
395.15811	5.1
455.17548	2.9
455.35187	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
58.00580	3.2
59.01375	74.1
67.01879	2.5
69.03442	8.1
71.00985	4.2
71.01376	78.7
72.01736	2.1
72.99293	6.1
73.02944	11.4
75.00870	40.1
78.95879	6.4
81.03460	4.3
83.01366	4.6
85.02934	12.7
87.00879	2.9
87.26028	2.0
89.02438	100.0
91.22517	2.5
93.03398	2.3
95.01367	3.4
96.95975	4.0
96.96938	6.2
97.02965	9.8
99.00861	6.2
101.02438	30.5
101.06074	63.8
105.01955	2.1
107.01345	2.4
109.39301	1.9
110.34724	2.0
111.00868	2.6
112.10362	2.0
113.02427	11.5
115.04012	2.7
119.03472	4.0
119.10233	1.9
119.79358	2.3
125.02438	37.4
131.03482	21.6
135.04555	3.5
143.03477	4.2
149.04546	49.5
161.02443	5.0
161.04543	3.2
173.04520	6.0
179.03633	2.2
182.81027	2.2
191.05583	9.5
233.06654	10.5
293.08771	87.9
294.09036	3.0
395.15811	5.1
455.17548	2.9
455.35187	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46951	0.7
59.01372	100.0
60.01715	1.1
61.76222	0.9
61.98814	1.9
63.99786	0.8
71.01369	2.7
73.02937	1.3
79.05530	1.6
80.91667	3.0
83.04979	1.8
85.02941	1.8
89.02462	2.2
97.06601	1.1
98.57693	0.8
101.02439	2.9
113.02403	3.6
119.03490	2.1
143.08626	0.9
145.94556	0.9
150.41245	0.7
155.08588	1.2
159.11754	1.8
161.04504	1.4
169.10231	1.1
171.11761	7.7
189.12814	1.4
194.35867	0.7
233.11787	46.7
234.12126	2.9
455.34564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.98824	4.3
63.17631	0.5
70.61292	1.2
71.01364	3.4
79.05523	4.1
83.05023	2.3
85.02947	1.6
89.02427	3.1
93.07060	0.6
95.01373	0.9
97.06577	2.5
101.02445	3.1
105.07053	1.0
107.05029	0.7
109.06605	1.0
113.02431	5.4
117.17616	0.5
119.03481	2.8
129.07065	0.8
133.06516	0.6
133.49062	0.6
143.08646	1.3
145.10222	0.6
155.08719	2.8
156.09438	0.9
159.11745	2.2
160.93509	0.6
161.02448	0.6
161.04471	1.4
169.10136	1.4
171.11775	14.8
183.11829	0.5
189.12846	2.8
201.48235	0.6
213.12859	0.7
215.10725	1.2
231.13940	0.7
233.11783	80.9
234.12096	4.2
249.58034	0.6
257.11758	2.3
275.12790	2.0
413.92456	0.6
448.54211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01701	0.9
61.98821	7.7
69.58822	3.4
71.01372	3.5
79.05530	2.2
83.05022	2.9
85.02950	1.9
89.02459	1.6
93.07078	0.6
95.01382	0.6
95.04979	0.7
97.06618	1.2
97.33913	0.6
101.02428	2.2
105.07079	0.7
107.04993	0.8
109.06567	1.3
109.93473	0.7
113.02431	5.4
119.03504	1.4
125.06013	0.8
129.07108	0.7
143.08667	1.1
151.65254	0.6
155.08615	2.1
156.09433	1.0
159.11815	1.6
161.04544	0.9
169.10185	0.9
171.11768	8.9
181.25978	0.5
189.12823	2.5
190.13078	0.6
201.27008	0.5
213.12733	0.8
215.10594	0.8
231.13782	1.7
233.11789	87.3
234.12102	5.2
259.13464	0.8
261.14877	0.7
275.12787	1.0
400.22702	0.7
405.44949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.4
59.01374	100.0
59.88936	0.9
60.01709	1.4
61.81009	0.7
61.98830	7.5
62.82803	0.7
64.06666	0.7
64.69182	0.8
69.03439	0.9
71.01376	10.6
71.61655	1.0
73.02923	2.6
75.00848	1.5
75.39947	0.8
78.25063	0.7
83.01394	0.7
85.02943	1.6
87.89643	0.7
89.02463	0.9
99.00856	1.3
101.02430	2.4
109.06615	0.8
113.02415	2.0
137.09705	1.9
139.35323	0.8
151.17758	0.8
152.78937	0.8
161.04527	1.3
165.12766	0.8
165.76662	0.8
179.16051	0.8
189.12828	0.9
192.11559	3.4
203.05580	4.6
207.13895	24.3
455.34991	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	455.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00180	0.4
55.70788	0.4
59.01365	1.0
61.98837	0.4
66.68727	0.3
69.58359	2.7
71.00629	0.4
73.90842	0.5
78.56677	0.4
78.95892	6.8
96.96934	0.9
98.20692	0.5
105.74062	0.4
137.86339	0.4
152.99570	13.6
171.00578	1.4
181.12283	1.2
199.13358	0.8
227.03258	3.7
227.20129	100.0
228.20444	5.7
245.04300	1.6
293.21075	1.0
309.40265	0.4
388.11761	0.4
399.85104	0.6
455.24133	28.9
455.34726	3.8
456.24423	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	455.2646
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01867	0.9
57.03431	1.4
58.00578	1.8
59.01373	33.0
61.98826	0.8
66.92077	0.4
71.01374	19.6
71.18793	0.5
71.19140	0.5
72.99295	2.1
73.02931	1.6
83.01379	1.8
83.97586	0.4
85.02944	6.1
87.00867	1.2
89.02434	16.9
93.83585	0.4
95.01379	1.9
99.00851	0.8
101.01771	0.6
101.02436	10.5
108.40604	0.4
111.01118	0.4
111.08115	0.8
113.02421	5.7
113.09705	0.7
119.03497	4.8
121.02946	1.2
161.02437	0.6
179.03423	0.4
179.14368	0.8
187.28763	0.5
195.13847	0.6
205.15939	0.7
223.13393	1.4
231.21396	0.6
275.20120	5.0
277.21753	1.1
293.21201	22.5
294.21454	1.7
455.26419	100.0
456.26712	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	455.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	5.1
61.98802	1.3
71.01372	3.2
71.05009	1.6
71.62307	1.4
85.02953	1.0
97.06590	1.1
101.02412	2.0
113.02416	1.5
127.86938	1.2
137.06049	3.2
162.83896	1.4
163.83670	1.0
195.13876	7.3
221.15381	1.6
223.13332	4.2
228.13756	1.4
256.13058	1.6
275.20190	5.8
291.19638	12.3
292.19882	1.2
293.21201	100.0
294.21500	8.0
338.06659	1.1
437.30630	1.5
455.26370	1.2
455.30624	7.3
455.36218	2.3
460.77637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03419	1.4
58.00586	1.9
59.01373	38.4
61.98812	2.9
71.01374	21.6
71.19148	1.3
72.99295	3.2
73.02930	1.7
78.95896	0.7
83.01359	2.3
85.02942	7.8
87.00849	1.3
89.01904	1.2
89.02435	15.9
93.84461	0.5
95.01372	1.9
99.00877	1.1
101.02432	11.4
104.26357	0.5
111.00827	0.7
111.83964	0.5
113.02446	6.4
119.03487	5.4
133.02945	0.7
135.04437	0.7
137.06044	0.6
141.67235	0.5
143.03546	0.6
150.73257	0.5
160.27345	0.6
161.02438	1.3
178.71562	0.5
185.12029	0.5
194.82727	0.6
263.20129	0.7
275.20108	5.4
293.21265	5.2
416.74561	0.6
419.13770	0.8
437.25317	1.2
455.26431	100.0
456.19037	2.7
456.26779	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	455.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	6.5
61.98818	3.0
71.05014	4.5
71.22370	2.0
71.32383	3.5
72.86770	2.2
80.76857	2.2
116.26622	2.2
119.32442	2.6
141.27156	2.5
163.06070	6.2
253.21889	2.5
255.20580	5.1
255.23254	100.0
256.23666	6.0
357.29767	3.7
386.77286	2.6
411.32632	3.0
419.30057	3.3
455.21130	2.6
455.29974	5.8
455.36169	56.1
456.35449	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	455.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.8
59.26211	0.5
69.18237	0.5
69.54867	1.9
69.55297	1.7
71.01385	1.3
72.26780	0.6
81.67100	0.5
89.02423	0.8
145.98042	0.5
188.25928	0.5
255.23250	7.7
256.23764	1.1
257.23972	0.5
297.24088	0.5
304.52679	0.5
388.12448	0.5
455.35245	100.0
456.35553	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	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71867	0.2
70.63266	0.2
71.07534	0.5
73.84283	0.2
255.23245	0.4
455.35208	100.0
456.35538	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	455.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11926	1.2
85.07796	0.3
113.78721	0.2
241.72816	0.3
407.33014	0.8
455.35220	100.0
456.35559	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	456.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
61.98822	100.0
93.03468	0.6
97.27742	0.2
101.02442	0.3
111.00873	0.4
111.04523	0.5
135.04527	0.7
136.04884	0.4
137.02412	0.2
139.00354	0.3
161.02415	0.4
164.55040	0.2
179.03526	0.4
180.03889	0.2
181.05060	0.4
199.78340	0.2
229.14259	0.2
273.07687	0.8
307.08173	0.4
314.08362	0.2
357.89703	0.2
361.09155	0.2
456.12460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17036	0.3
59.01365	1.1
60.80667	0.3
61.98824	100.0
66.91321	0.3
69.56967	0.3
69.57375	1.7
84.74226	0.3
86.53677	0.3
93.03464	0.4
98.19862	0.5
101.02396	0.3
111.00879	0.5
111.04515	0.9
126.34421	0.3
139.00278	0.3
151.48811	0.3
172.38609	0.3
181.05162	0.3
224.55066	0.3
233.18912	0.3
244.94724	0.3
273.07675	1.4
293.99875	0.3
307.08356	0.7
393.11597	0.3
457.47903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48573	0.4
59.01375	3.5
61.98822	100.0
70.13589	0.9
70.13960	1.9
71.01363	0.4
76.50518	0.4
77.52422	0.5
94.79830	0.4
94.80520	0.4
98.20016	0.8
101.02445	0.8
118.29939	0.4
133.02936	0.5
135.04509	0.7
161.02483	0.9
163.38423	0.5
179.03497	0.7
181.74469	0.4
189.98402	0.4
193.75938	0.4
216.13806	0.5
336.16525	0.7
455.35455	0.6
457.33484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
61.98822	100.0
69.91624	2.8
98.78320	0.5
146.57430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77261	0.7
59.01370	15.9
60.01715	1.6
61.98822	100.0
71.37311	0.9
71.37629	1.0
113.02487	1.2
133.02902	0.9
145.02878	0.8
146.75278	0.7
227.19974	0.7
233.11803	4.8
234.12144	6.0
263.57913	0.7
302.63065	0.7
406.18866	0.8
460.58612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.1
61.98822	100.0
71.01373	1.7
71.61502	0.5
71.61910	0.6
85.02986	0.7
89.02465	1.1
101.02447	1.1
109.12812	0.5
114.19219	0.5
119.03467	0.4
135.04526	0.6
156.30701	0.5
161.02408	0.9
166.65697	0.4
170.94977	0.5
176.01157	0.6
179.03503	1.0
179.86014	0.5
232.00868	1.0
244.80861	0.5
246.02278	0.8
255.25121	0.5
276.03369	1.0
294.21707	0.5
328.90887	0.5
455.26917	0.6
455.35284	0.9
456.26822	3.3
456.36337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49221	0.3
59.01369	1.8
59.36351	0.2
61.98823	100.0
63.24321	0.3
71.01382	0.8
71.38692	0.5
85.02956	0.4
89.02435	1.4
91.66485	0.3
96.97688	0.2
101.02448	0.6
133.02931	0.6
135.04538	1.2
161.02438	1.6
177.05534	0.6
179.03508	1.4
185.58240	0.3
221.04523	0.6
295.10309	3.0
315.87155	0.3
424.76492	0.3
457.13474	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	456.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73526	0.7
59.01372	88.4
60.01705	1.0
61.98829	2.0
66.41434	0.8
67.01875	1.0
69.83498	4.3
75.00886	3.8
82.06602	1.1
82.46262	0.8
93.03413	1.0
101.06624	0.9
103.05539	1.8
104.05026	2.2
105.07079	2.5
106.04224	2.8
107.05021	1.9
109.02910	1.0
111.08163	1.5
116.05027	0.9
119.05011	7.0
119.94655	1.3
120.04527	2.1
121.02914	1.5
122.09784	0.8
130.08714	2.8
131.05003	1.0
132.05779	2.4
133.06546	3.1
134.03621	1.1
135.04510	2.1
137.06064	82.3
138.06409	2.7
144.04530	3.1
145.05333	7.1
146.06107	14.6
147.04439	1.9
147.06805	1.4
148.04051	6.4
149.06062	6.0
157.05368	1.4
158.06064	3.0
161.02403	1.7
163.07625	3.0
164.04787	1.8
174.12859	1.3
176.07161	2.5
177.07906	1.5
179.03485	1.2
180.10275	2.3
187.06380	1.1
187.10028	1.3
188.10814	1.0
188.14403	14.2
189.12859	1.9
189.14612	1.2
190.06332	1.1
194.11841	3.9
201.11493	1.1
213.07816	0.8
214.12386	1.9
216.06674	1.6
216.13892	76.6
217.07387	1.2
217.14162	3.8
218.11745	2.9
232.13368	5.0
242.11841	7.4
243.12433	1.1
244.13411	2.4
248.16516	35.5
249.16794	1.6
259.12067	1.2
260.12836	10.2
264.97980	0.7
274.14438	78.9
275.14786	5.7
291.19498	1.0
292.15509	85.2
293.15704	6.0
311.09558	1.1
380.18564	1.3
396.22974	1.3
412.21201	2.6
455.35101	0.9
456.20203	100.0
457.20526	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	457.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69428	1.3
59.01367	5.5
60.99301	17.8
61.54589	1.2
61.98814	2.9
69.42772	9.4
71.01361	4.7
85.02908	1.5
88.98793	100.0
89.02432	3.2
89.87247	1.2
93.03442	7.2
98.19666	1.3
101.02458	1.9
119.05000	5.3
134.03760	8.1
135.04466	3.5
145.02921	4.0
155.03450	1.7
161.02408	4.2
163.04041	6.5
173.04509	48.9
173.06006	2.5
179.03522	1.7
191.05554	2.3
193.05054	9.2
235.06056	2.1
311.09769	4.4
367.10291	11.9
397.11377	1.8
440.11786	1.3
457.13257	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	457.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72176	0.7
58.00568	1.5
59.01372	41.5
61.98812	2.2
69.36048	7.4
71.01372	21.4
72.99300	1.4
73.02943	0.8
83.01389	0.9
83.68719	0.8
84.87365	0.8
85.02957	3.9
87.00844	1.2
89.02430	33.3
90.73424	0.9
95.01363	1.8
99.00851	0.8
101.02427	18.4
109.02921	1.0
113.02437	11.1
115.04067	0.8
119.03478	15.3
119.15424	0.8
121.02957	1.1
127.37230	0.8
131.03481	0.8
133.02943	9.2
133.05054	1.1
134.03682	2.8
135.04507	40.2
137.02467	1.0
143.03461	1.3
148.05276	1.4
149.04555	1.0
149.06046	6.8
161.02422	43.6
162.02779	1.9
169.93810	0.8
177.05542	14.0
179.03474	33.8
180.03831	1.2
184.81039	0.8
221.04533	15.9
222.04851	1.3
251.05620	5.9
281.06625	11.0
295.10294	100.0
296.10654	4.3
341.08728	3.1
392.15326	0.9
457.13422	97.9
458.13785	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	457.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35222	1.5
59.01373	14.8
61.98790	1.8
63.14466	1.6
69.41497	11.6
71.01363	15.4
73.02939	4.8
75.00874	2.0
85.02943	4.5
87.00964	1.6
88.98791	4.4
89.02419	12.5
90.95253	1.5
93.03433	2.3
98.19891	3.8
99.00860	6.5
101.02425	10.8
109.45836	1.6
113.02425	5.6
117.03431	8.7
119.05006	80.5
120.05360	3.1
125.02429	2.8
128.95020	1.7
131.03445	2.8
132.05820	1.9
133.02975	8.4
133.06593	2.8
135.04510	9.7
143.83980	1.6
145.02934	54.5
145.04083	2.6
161.02423	23.6
161.04498	3.5
161.06050	7.7
163.03987	100.0
164.04352	3.8
173.04431	2.0
177.05547	4.8
179.03461	7.5
190.35968	1.6
191.07130	17.9
205.05095	10.4
221.04498	3.6
235.06082	35.8
236.06364	3.6
251.05667	4.0
258.97900	2.1
281.06528	7.5
295.08075	47.4
311.09869	8.0
337.09244	26.8
341.08719	3.0
347.36703	1.7
367.10303	18.6
383.09576	2.8
397.11276	9.7
457.13168	21.9
484.07556	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	457.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	38.6
62.79781	2.1
71.01371	25.0
71.62537	2.4
71.62945	3.6
72.99279	2.5
85.02965	5.0
87.00917	2.8
89.02444	27.9
101.02429	18.3
113.02398	8.4
119.03488	13.9
119.04961	4.9
133.02960	12.6
134.03714	2.5
135.04504	38.5
145.02928	3.9
149.06036	7.3
160.01619	4.5
161.02429	41.5
163.03932	4.9
175.03902	7.0
177.05573	11.9
179.03479	33.6
180.03883	3.1
203.03477	2.5
221.04515	14.2
251.05515	8.3
281.06470	8.3
295.10318	100.0
337.09201	2.4
341.08582	3.1
367.10199	3.3
457.13248	88.4
458.13678	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	457.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	38.6
62.79781	2.1
71.01371	25.0
71.62537	2.4
71.62945	3.6
72.99279	2.5
85.02965	5.0
87.00917	2.8
89.02444	27.9
101.02429	18.3
113.02398	8.4
119.03488	13.9
119.04961	4.9
133.02960	12.6
134.03714	2.5
135.04504	38.5
145.02928	3.9
149.06036	7.3
160.01619	4.5
161.02429	41.5
163.03932	4.9
175.03902	7.0
177.05573	11.9
179.03479	33.6
180.03883	3.1
203.03477	2.5
221.04515	14.2
251.05515	8.3
281.06470	8.3
295.10318	100.0
337.09201	2.4
341.08582	3.1
367.10199	3.3
457.13248	88.4
458.13678	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	457.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45927	1.1
57.03444	1.5
58.00575	1.4
59.01374	54.3
61.98808	2.0
63.40609	0.8
64.10240	0.9
69.35134	9.2
71.01376	27.4
72.99286	2.3
73.02974	1.0
78.95890	1.8
83.01379	1.8
83.04984	1.2
83.61893	1.0
85.02931	5.8
87.00886	1.8
88.98797	2.5
89.02438	32.3
93.03429	1.1
95.01375	1.8
96.95992	4.1
96.96944	1.3
101.02438	19.3
105.23090	0.9
109.02919	1.0
111.04516	1.3
113.02426	10.3
118.73708	1.0
119.03492	12.9
119.04966	1.5
121.06602	2.6
122.03651	1.3
123.08135	3.7
129.07034	1.0
131.03491	1.2
133.02907	1.3
134.03723	1.3
135.04514	2.7
143.03464	1.6
145.02942	1.6
148.05402	0.9
149.06042	3.2
161.02423	1.8
161.04544	1.8
163.03993	2.0
171.11780	4.4
179.03499	1.2
179.05580	3.2
189.12846	9.1
193.04988	1.7
205.05006	1.6
215.10648	1.7
233.11848	3.6
277.10861	8.7
295.08298	1.5
295.11774	2.6
315.10736	1.2
413.18207	1.2
457.17130	100.0
458.17441	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	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47155	1.3
59.01372	100.0
60.43974	1.2
61.98824	23.2
69.37541	7.4
69.37958	3.5
71.01369	10.0
73.02947	5.8
83.01366	1.4
85.02957	3.2
89.02443	1.7
101.02439	6.0
113.02413	3.8
150.09181	2.0
154.65620	1.3
161.04517	3.6
171.34016	1.2
173.04500	3.7
178.08780	1.6
182.23389	1.3
203.05531	3.6
235.13315	5.9
259.13318	1.7
368.39987	1.3
431.74249	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84785	0.9
57.03419	1.3
58.00626	1.0
59.01370	100.0
61.98818	11.2
64.82254	1.0
70.60221	3.2
71.01368	7.8
73.02935	2.8
78.91846	0.8
85.02940	2.3
89.02439	4.1
92.73278	0.8
95.01354	1.3
99.08119	1.1
100.34139	0.8
101.02438	5.2
111.46815	1.0
113.02433	5.0
115.00332	1.6
117.03446	4.5
119.03471	2.2
119.04987	2.2
143.03526	1.0
143.04965	2.9
145.02928	16.7
161.04539	2.3
161.13338	19.4
163.03995	2.7
172.32581	1.0
179.05531	1.1
187.04016	5.2
189.12793	9.1
191.14308	7.3
217.12285	1.1
221.15367	1.9
235.13344	55.3
236.13698	3.5
259.13315	4.1
277.14240	1.3
397.13229	0.9
457.14774	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	457.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00402	0.1
62.41118	0.1
65.15620	0.2
69.40269	1.4
73.09353	0.2
74.07853	0.2
74.86561	0.2
77.63726	0.2
87.68620	0.2
99.92570	5.0
100.92682	0.2
100.93346	4.1
101.93246	0.2
115.92062	100.0
116.92073	3.8
116.92852	6.1
117.92529	0.2
132.92337	1.2
142.94400	0.3
155.95184	0.3
172.95445	5.0
173.95520	0.3
242.48940	0.2
243.61455	0.1
283.26401	0.7
311.15860	0.2
383.18918	0.7
384.19049	0.2
399.18347	0.2
409.20456	1.1
439.21390	0.3
457.22549	6.4
457.35892	0.2
458.22867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03437	0.4
57.12463	0.4
59.01374	100.0
60.01720	1.6
61.01786	0.4
61.98826	44.9
69.62494	1.2
69.62891	0.7
70.02977	0.6
71.01380	6.0
73.02953	1.5
74.99102	1.4
80.17607	0.3
83.01405	0.9
83.27197	0.4
85.02959	2.0
87.00861	0.7
89.02428	2.2
93.03444	0.5
95.01358	0.5
96.00924	0.4
96.96000	0.6
97.02942	0.4
99.00897	1.3
101.02420	3.5
105.00150	0.5
112.04049	0.6
113.02464	3.3
114.01939	2.7
117.77047	0.3
119.03511	1.1
123.04498	0.4
125.02467	0.6
137.06094	0.6
142.05141	0.4
143.03474	0.4
161.02519	0.6
161.04530	1.7
173.04637	0.7
178.08818	0.6
211.13426	0.4
233.11830	1.2
234.12137	0.8
235.12347	0.8
266.10428	0.4
304.39746	0.4
326.14365	1.5
368.15466	0.5
397.22543	0.6
415.23611	1.2
457.21292	0.4
458.18661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46175	0.5
54.30061	0.4
55.01861	0.9
57.03444	0.9
58.00586	1.5
59.01374	100.0
60.01695	0.9
61.98817	3.5
69.03442	1.4
69.64747	2.4
71.01376	38.1
72.01728	0.6
72.99305	1.7
73.02941	50.0
75.00846	0.7
75.94681	0.4
81.03465	0.9
83.01382	14.7
85.02935	5.0
87.00880	1.6
89.02437	9.7
91.23931	0.4
94.92031	0.5
95.01408	1.5
96.95980	0.6
97.02937	1.5
99.00882	1.1
99.04518	1.5
100.02641	0.5
101.02436	46.9
102.02762	0.7
113.02444	12.8
119.01701	0.4
119.03471	3.9
123.59646	0.4
125.02460	1.3
131.03499	3.9
135.04512	1.0
137.06105	0.5
139.01416	0.4
143.03502	3.1
143.55536	0.5
149.04543	3.3
150.74397	0.4
155.03500	1.3
161.02477	0.8
161.04543	7.7
178.08736	0.8
179.03410	1.0
179.05670	0.6
180.10361	0.6
181.12402	0.5
203.05702	0.8
221.06660	0.6
221.15523	1.7
250.14441	0.5
257.17667	0.7
265.14490	3.1
266.14667	0.5
294.13312	0.6
367.17709	0.9
397.22214	0.8
457.27954	1.0
458.18356	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	457.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78225	0.8
59.01360	5.9
61.98800	1.1
68.25908	0.7
71.01382	0.8
74.48466	0.6
75.65044	0.7
85.02959	0.8
101.02438	1.1
103.19788	0.8
121.30477	0.8
132.24512	0.7
133.33110	0.8
137.64157	0.7
161.39688	0.7
174.99248	1.8
179.03458	1.0
181.07147	0.8
195.13857	7.7
201.33650	0.7
205.12288	1.3
217.00266	5.3
223.13341	4.6
228.13631	0.9
256.13174	1.6
272.65305	0.7
275.20032	3.6
293.21179	100.0
294.21542	6.0
374.99155	3.0
385.57321	0.8
393.32092	0.9
411.87939	0.8
439.32480	1.3
457.28943	2.5
457.32928	8.5
477.42139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3319
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
57.03436	2.1
59.01366	3.9
60.99282	0.7
61.98805	1.5
70.76135	2.0
71.05023	0.9
77.11897	0.5
87.73632	0.6
90.12424	0.6
91.51398	0.7
111.08138	0.8
112.98585	0.6
132.71950	0.6
138.64015	0.6
174.99222	0.7
178.63651	0.5
184.95598	0.6
189.12804	1.5
191.14424	2.4
211.25105	0.6
217.00258	2.8
242.50137	0.6
319.11566	0.6
374.99210	1.3
381.27841	1.3
393.31854	1.3
397.31003	3.7
407.29370	0.9
413.34238	5.5
425.30643	0.9
439.32190	4.1
440.32562	0.8
457.33231	100.0
458.33597	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	457.3317
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.39693	0.3
57.03448	1.4
57.03668	0.2
59.01371	1.7
61.98804	0.4
64.03841	0.2
69.03442	0.9
70.98755	0.3
70.99096	0.5
71.05007	0.3
85.31185	0.3
115.08990	0.2
147.27304	0.2
174.99269	0.4
205.60696	0.3
217.00270	1.2
374.99463	0.5
413.34601	3.5
414.34399	0.4
419.31378	0.8
421.30994	0.3
439.32083	1.2
457.33185	100.0
458.33524	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	457.3317
Annotation	Platanic acid
Peak:m/z	Relative Intensity
50.97966	0.3
55.01857	0.9
57.03436	0.7
59.01365	3.2
61.98820	0.6
68.32905	0.3
69.40945	2.5
71.05014	7.8
73.90732	0.3
82.43649	0.3
83.05048	0.4
83.46967	0.3
83.57679	0.3
95.05024	1.1
95.80653	0.3
97.06585	1.2
102.45082	0.3
111.08154	0.4
121.06558	1.0
123.08156	2.2
135.08150	0.3
137.09709	0.5
141.01689	0.8
189.12814	1.1
191.14424	2.6
217.00276	1.2
273.18533	2.7
275.20447	0.5
278.11255	0.9
287.20117	0.6
289.21637	5.6
290.21948	0.5
293.21155	0.8
315.19330	0.7
330.01843	0.4
338.12112	0.6
339.26956	0.5
340.22549	0.4
355.26346	1.2
367.26407	0.5
373.27267	1.9
374.98999	0.4
375.21225	1.2
383.29581	1.1
385.27417	0.7
393.31674	1.1
395.33145	1.0
413.34201	22.4
414.34555	2.7
419.29852	0.4
421.31003	3.4
423.32639	0.7
437.30347	0.6
439.32092	11.9
440.32449	1.7
457.33167	100.0
458.33557	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	457.3316
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.56789	0.5
50.96201	0.5
57.54168	0.5
59.01367	1.7
60.00898	5.4
61.98801	0.8
64.43398	0.7
68.05763	0.5
85.02956	1.2
98.21271	0.6
108.62872	0.7
126.79459	0.6
132.96574	0.5
135.79454	0.6
142.10345	0.5
168.85992	0.5
200.17880	0.5
204.05260	0.5
217.00276	1.0
337.21649	9.0
413.34174	10.5
414.34210	1.6
439.31860	3.3
457.33112	100.0
458.23410	1.8
458.33517	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	458.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.4
61.98822	100.0
63.43534	0.3
69.94057	1.0
71.01380	1.2
85.02965	0.4
89.02447	0.6
96.96043	0.4
101.02436	0.5
104.30069	0.3
111.22450	0.4
113.02427	0.6
115.00396	0.7
115.74335	0.3
118.50779	0.3
124.01450	0.3
129.74559	0.3
137.06070	0.4
139.39421	0.3
161.04504	0.4
175.03821	0.3
195.80389	0.3
232.72672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.9
59.21336	0.3
61.98823	100.0
63.96729	0.3
69.79532	1.7
71.01383	1.1
73.02922	0.3
74.71351	0.3
79.02444	0.3
79.51482	0.3
89.02438	0.6
104.79736	0.3
113.02415	0.3
115.00375	0.6
137.06021	0.3
146.98184	0.3
155.49490	0.3
186.44156	0.3
189.32520	0.3
206.13951	0.3
234.12328	0.3
278.14700	0.3
287.51614	0.3
337.24570	0.3
395.58487	0.4
457.33548	0.4
458.33652	0.3
461.68445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64241	1.6
58.89702	1.3
59.01093	2.3
59.01373	34.4
61.25772	1.6
69.81209	6.3
71.01373	24.6
73.02937	63.0
77.67296	1.4
81.17757	1.4
85.02951	3.9
89.02435	34.9
95.63707	1.4
98.19817	1.3
98.20422	4.2
99.00852	5.4
101.02433	13.1
106.72055	1.5
113.02444	9.5
117.01927	100.0
119.03488	11.5
130.51677	1.3
131.03467	3.3
133.02917	3.1
143.03477	3.6
149.04417	1.8
161.02435	12.1
161.04555	4.2
162.02673	1.5
179.05606	18.3
341.11005	48.8
342.11136	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	459.1505
Annotation	Paeonolide
Peak:m/z	Relative Intensity
54.22150	2.1
57.03443	10.0
58.00588	5.1
58.95232	2.0
59.01372	91.2
60.84827	2.1
61.98816	2.5
69.03444	5.8
71.01372	51.8
71.61237	3.2
71.61619	2.3
72.74374	1.9
72.99301	5.9
73.02921	2.1
78.95889	7.6
79.95720	2.4
83.01371	6.8
85.02934	17.8
87.00831	2.8
89.02429	100.0
95.01376	13.5
96.95996	90.1
96.96947	5.3
97.02905	3.6
99.00858	2.0
101.02411	11.8
111.00861	17.8
113.01685	4.1
113.02438	69.9
119.03499	5.7
119.04993	3.0
121.53521	2.5
121.89805	2.4
123.00825	4.8
124.01620	2.1
131.03482	16.6
135.04507	3.8
141.01921	26.6
145.02928	2.7
149.04514	31.3
151.03961	3.9
161.02425	3.9
165.05544	78.3
166.05911	3.9
174.05635	2.4
175.11288	2.9
178.04979	2.7
179.03459	4.0
206.04509	9.0
236.05545	12.5
249.07600	3.8
291.07190	24.6
459.14777	16.5
460.15845	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	459.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	9.5
59.01088	1.5
59.01370	22.5
59.33712	0.8
61.98818	4.4
69.61037	3.2
69.61446	2.1
70.94349	0.9
71.01374	14.7
72.99311	1.0
73.02940	6.7
74.99091	1.1
82.95390	1.1
83.01389	1.7
85.02937	4.2
87.00836	1.3
89.02437	12.4
93.03449	2.1
95.01368	1.6
96.95997	12.4
98.19960	1.9
99.04505	1.4
101.02441	12.3
113.02433	6.8
117.03434	1.2
118.98076	12.9
119.03474	3.6
119.04987	2.9
121.02968	5.3
123.04494	6.3
126.93290	1.0
131.03490	1.1
132.02217	1.3
133.02942	28.2
134.03636	1.9
135.04523	34.7
136.04858	1.0
137.02382	1.4
143.03535	1.7
145.02876	1.3
153.05592	9.7
160.01788	1.1
161.02428	99.1
162.02811	4.9
163.03960	2.5
165.05493	1.2
173.04558	4.8
175.03912	2.2
177.05559	1.7
179.03496	10.8
179.05045	1.2
179.05544	1.1
191.05591	3.4
193.05061	2.4
221.04596	1.3
234.95406	0.9
251.05788	0.9
297.09879	4.4
313.89313	1.2
315.10812	32.1
316.11096	2.1
324.16550	1.0
357.11853	13.9
397.15042	3.1
459.14993	100.0
460.15311	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	459.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
58.00601	0.5
59.01371	100.0
60.01714	0.8
61.98825	0.8
63.36945	0.3
70.71516	0.9
71.01372	10.1
72.99307	0.5
73.02938	1.7
78.95921	0.4
83.01384	1.2
85.02934	3.2
87.00868	0.5
89.02430	6.9
95.01368	0.4
98.75500	0.3
99.00886	1.5
101.02433	7.2
113.02437	5.7
119.03471	2.9
137.99683	0.4
143.03510	0.7
159.02977	0.8
161.04533	7.4
166.08688	0.6
173.04576	0.9
179.05603	0.9
233.35025	0.4
279.23022	0.7
321.20563	0.7
399.23917	2.0
459.29828	6.8
460.30170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12908	0.2
51.39088	0.2
51.60343	0.2
59.01371	100.0
60.01703	1.0
61.05895	0.2
61.98827	0.6
68.36118	0.2
71.01363	0.6
75.00879	0.3
85.02934	0.4
89.02447	0.2
96.03986	0.2
96.96011	0.4
101.02428	0.3
101.78425	0.2
113.02469	0.3
133.03014	0.3
135.04533	0.4
161.02484	0.4
168.80446	0.2
179.03539	0.4
244.62048	0.2
279.08240	0.2
299.39148	0.2
311.09634	0.6
357.22983	0.3
377.20401	0.2
458.70737	0.4
459.20920	0.3
459.29834	0.4
472.97665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2594
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
52.59743	0.2
55.01875	0.5
55.27388	0.2
57.03442	0.6
58.00589	0.2
59.01373	100.0
60.01702	0.7
61.98827	0.8
65.66870	0.2
67.01887	0.2
69.03426	0.2
69.40428	1.2
71.01375	7.8
73.02940	2.1
83.01398	0.9
85.02942	4.2
87.00886	0.5
87.04507	1.0
89.02433	2.1
93.03467	0.4
95.01360	1.0
98.19898	0.3
98.99943	0.2
99.00867	1.4
101.02429	3.4
101.06090	0.3
111.83208	0.2
113.02436	6.8
114.02766	0.2
119.03498	0.7
125.02387	0.2
143.03522	0.5
153.08002	0.2
159.03006	0.6
161.04527	3.0
173.04480	1.3
255.19800	0.4
399.23798	8.6
400.24127	0.9
417.24875	4.2
418.25299	0.4
459.19086	0.2
459.25949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50537	0.4
59.01367	1.1
61.83316	0.3
61.98810	0.7
71.01394	0.4
72.58320	0.4
97.06585	0.4
102.93631	0.3
113.87266	0.4
117.03454	18.5
118.03747	0.8
119.05009	7.3
121.02950	1.3
139.46753	0.4
145.02933	100.0
146.03258	2.8
155.10719	0.4
163.03983	5.4
171.10262	0.7
176.70137	0.4
180.63719	0.3
237.46233	0.4
240.10190	0.4
261.09988	0.4
267.46469	0.4
295.22565	0.8
313.23730	7.3
314.24310	0.6
348.68137	0.4
400.28983	0.4
415.35895	0.4
441.26733	0.9
441.33340	0.5
459.27509	34.5
459.34601	4.6
460.27878	4.2
460.34290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2746
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
53.50537	0.4
59.01367	1.1
61.83316	0.3
61.98810	0.7
71.01394	0.4
72.58320	0.4
97.06585	0.4
102.93631	0.3
113.87266	0.4
117.03454	18.5
118.03747	0.8
119.05009	7.3
121.02950	1.3
139.46753	0.4
145.02933	100.0
146.03258	2.8
155.10719	0.4
163.03983	5.4
171.10262	0.7
176.70137	0.4
180.63719	0.3
237.46233	0.4
240.10190	0.4
261.09988	0.4
267.46469	0.4
295.22565	0.8
313.23730	7.3
314.24310	0.6
348.68137	0.4
400.28983	0.4
415.35895	0.4
441.26733	0.9
441.33340	0.5
459.27509	34.5
459.34601	4.6
460.27878	4.2
460.34290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.60938	0.2
57.03441	0.6
58.00585	1.3
59.01374	38.7
61.98830	0.7
62.46830	0.2
69.84472	1.0
71.01375	19.3
72.99300	1.7
73.02950	0.9
75.19067	0.3
83.01374	1.9
85.02942	4.8
85.03448	0.4
87.00855	0.6
89.02435	15.9
95.01396	1.8
99.00920	0.4
101.02431	11.0
102.02808	0.2
106.70593	0.3
109.39833	0.3
113.02439	7.4
119.03485	4.8
131.03435	0.2
135.04538	0.4
143.03416	0.3
161.02364	0.3
161.04561	0.4
183.13953	1.4
244.99698	0.3
279.23248	10.3
280.23712	0.6
291.19849	0.3
295.22690	0.5
297.24243	2.1
330.21005	0.3
441.27982	0.3
459.29568	100.0
460.29929	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	459.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15521	1.0
59.01371	15.1
59.85942	1.1
71.01370	18.6
71.62495	1.1
71.62912	1.4
73.02929	3.6
78.95870	1.2
79.78527	1.0
83.01360	2.1
85.02935	4.4
85.07202	1.1
89.02429	16.3
101.02430	20.7
102.39262	1.1
103.69406	1.1
113.02428	3.0
119.03474	2.6
131.03413	1.2
147.73627	1.3
152.99579	2.2
163.06081	4.7
181.07155	100.0
182.07472	1.1
262.22818	1.3
277.21625	6.6
279.22589	1.3
337.74350	1.2
459.31393	1.2
459.36621	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	460.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58154	0.9
54.01185	0.7
55.30554	0.7
57.03435	1.0
59.01373	7.3
61.98520	1.0
61.98824	15.8
67.01859	3.7
69.03437	1.6
71.01367	9.0
75.81154	0.7
85.02927	2.5
87.00883	1.1
89.02438	5.0
93.03447	23.7
98.20650	1.4
101.02439	2.0
109.02915	0.8
111.00887	0.8
111.04504	4.5
113.02412	2.9
119.03459	0.8
121.02936	1.2
135.04454	1.6
137.02396	4.8
147.04459	0.9
149.02426	11.1
155.03510	4.8
164.04776	8.3
165.05510	1.9
166.05933	0.9
167.30099	0.8
173.04517	100.0
174.04826	2.0
191.05515	1.2
195.06622	1.0
223.06047	11.7
239.05431	2.4
247.17598	0.8
370.25375	0.8
378.46497	0.9
397.11310	20.8
398.11520	1.0
461.16071	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	460.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01660	0.5
55.75385	0.5
59.01373	6.3
60.99300	1.2
65.56017	0.6
69.68630	3.4
71.01373	9.6
73.02941	1.2
83.01360	0.6
85.02940	11.1
87.00848	0.7
88.98798	2.4
89.02441	2.9
95.01367	4.0
97.02954	0.6
98.20599	1.1
101.02440	2.3
107.05047	0.6
113.02441	20.3
116.05052	1.3
118.06610	2.3
119.03478	1.2
123.04475	0.8
130.06569	0.6
133.02951	1.3
135.04504	14.6
135.52910	0.6
137.06076	0.8
138.05595	3.6
138.06448	0.6
142.06581	0.7
143.03516	0.6
144.04532	11.3
145.05232	0.6
146.06088	1.3
153.05495	0.6
158.06062	2.3
160.04030	1.5
160.07709	1.0
161.02397	2.3
161.04556	1.2
163.07617	1.4
170.06079	0.7
175.02721	2.5
175.07791	0.7
176.07144	32.5
177.07535	1.3
188.03516	6.5
188.07108	1.0
189.04126	0.8
190.05101	1.4
190.08698	1.7
196.00671	0.6
202.05170	3.0
202.08702	5.4
203.05829	3.3
204.02954	2.9
204.06621	3.3
208.09752	10.8
209.10132	0.7
214.05061	1.1
220.06117	100.0
220.09706	4.4
221.06482	4.9
231.05363	1.5
234.07687	17.9
234.11362	1.8
235.08055	1.8
246.07669	15.7
247.08058	0.9
248.09291	2.6
263.04303	0.9
264.08633	1.6
266.10187	3.4
278.10294	36.0
279.10611	2.2
290.06531	1.2
296.11441	1.1
297.43201	0.6
315.10840	1.7
322.08322	0.6
337.23312	0.6
338.00354	0.5
372.14514	6.8
374.15070	1.1
398.16043	1.5
416.17014	4.1
427.11368	0.6
439.12085	0.7
460.15457	3.0
461.16568	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01021	0.4
57.90771	0.5
59.01371	6.8
61.92435	0.5
61.98833	0.8
66.40511	0.5
68.09369	0.5
71.01378	1.9
84.04552	4.2
84.76345	0.5
85.02943	0.9
89.02445	2.5
92.05064	1.3
94.02983	0.5
98.20724	0.8
99.82955	0.5
101.02422	0.9
102.05604	0.6
106.06610	27.7
107.06947	0.6
113.02405	1.0
114.82894	0.5
116.05093	0.5
118.06607	0.7
120.04536	2.3
120.08260	0.6
132.04535	6.4
134.06111	1.4
135.04449	0.7
136.07660	6.5
145.39914	0.5
146.06065	2.1
148.04034	1.4
149.04660	1.5
150.05582	0.9
152.03506	1.3
153.05568	0.6
162.05573	2.1
164.03484	2.0
164.07140	100.0
165.07516	5.0
176.07126	1.1
178.05058	3.9
188.03584	0.8
188.05171	0.5
194.08191	6.8
204.10318	3.0
206.04558	2.5
208.06140	4.3
210.59657	0.5
220.06100	1.3
221.51286	0.5
238.07205	0.8
248.09358	1.7
250.10863	0.7
280.11859	8.8
281.12152	0.6
324.10831	29.2
325.11185	1.6
382.36859	0.5
442.14810	1.2
460.16068	46.9
461.16418	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	460.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.0
63.27519	0.4
69.31434	2.8
69.31837	0.8
71.01360	1.0
75.18040	0.4
83.48759	0.4
83.85496	0.4
84.04533	2.9
85.02958	0.7
89.02421	0.6
92.05042	1.4
102.05599	0.6
106.06618	24.1
107.06997	0.6
120.04552	1.5
120.08227	0.8
132.04541	7.0
134.06108	1.3
135.04491	0.8
136.07664	5.9
144.04567	0.5
146.06084	1.4
148.04028	1.4
149.04807	1.3
150.05630	1.1
160.07645	0.5
162.05576	1.5
164.07144	100.0
165.07516	3.2
176.07193	0.7
178.05066	0.7
194.08199	5.6
198.98581	0.4
204.10222	1.4
206.04553	0.9
208.06113	4.2
220.06134	1.1
248.09200	0.9
250.11018	0.4
280.11862	18.5
281.12079	1.2
292.08255	1.3
324.10828	6.0
325.11105	0.5
442.15039	1.1
460.16068	40.1
461.16345	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	460.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60926	0.9
59.01371	100.0
60.01687	0.9
61.98830	1.0
71.37621	2.2
73.09696	1.0
76.64931	1.0
78.95893	1.1
116.07155	11.6
123.04507	9.1
124.07609	1.3
132.08174	1.6
137.06026	3.7
138.05594	1.1
145.05324	1.7
151.06343	3.2
160.07664	12.6
162.09242	6.5
166.08708	81.0
167.09076	2.7
179.07108	46.4
190.08844	0.9
192.10287	40.8
193.10603	1.6
202.12314	1.2
208.13358	1.2
234.15002	2.5
236.09248	58.8
237.09546	3.0
252.15935	1.0
260.12869	1.7
278.13870	3.7
296.14835	2.0
460.19855	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	461.1084
Annotation	Diosmetin 3'-glucoside
Peak:m/z	Relative Intensity
53.73553	1.1
57.03413	1.0
57.96117	1.1
59.01376	8.8
61.98800	1.5
63.02398	1.2
67.01865	1.7
68.99794	3.0
71.01378	5.3
71.07953	1.8
75.31754	1.1
83.05023	2.0
85.02930	4.6
87.95738	1.0
88.98801	2.3
89.02447	2.6
93.03448	23.8
95.01350	1.8
99.04481	1.4
101.02398	4.6
107.05000	2.3
109.02901	1.3
111.00874	10.0
111.04496	13.8
113.02444	7.9
119.04974	4.0
123.04487	4.1
127.04007	1.8
133.02959	5.3
135.04512	11.9
137.02423	31.9
137.06062	2.9
139.00336	5.7
145.02914	4.9
149.02422	1.4
153.05573	5.6
161.02432	14.7
163.03935	2.5
179.03427	3.8
181.05034	5.9
183.10211	2.6
211.06032	2.0
229.07034	3.4
255.02940	68.5
256.03595	8.4
268.03638	4.8
269.04480	19.4
270.04630	1.4
273.07675	19.5
274.07983	1.7
275.05502	3.3
281.04449	1.6
283.02444	54.0
284.03198	43.5
285.03677	2.3
297.03998	59.2
298.01294	1.4
298.04761	60.0
299.05521	100.0
300.05881	4.7
307.08163	12.0
313.03470	1.2
323.07733	5.3
341.06677	3.7
343.07983	1.6
361.09250	2.8
393.11798	5.5
446.08472	1.6
457.48230	1.4
458.11496	1.2
461.10715	80.4
461.16058	6.0
462.11163	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1082
Annotation	Diosmetin 3'-glucoside
Peak:m/z	Relative Intensity
57.03403	0.9
57.31411	0.6
58.06843	0.7
59.01374	6.3
63.35123	0.6
70.07422	3.1
71.01370	5.2
73.02897	1.0
82.84541	0.7
83.57110	0.6
85.02921	3.8
89.02383	2.5
93.03437	4.0
95.01337	1.6
101.02390	1.3
111.00844	1.2
111.04429	2.6
113.02441	5.9
117.03463	6.5
119.03480	1.1
119.05006	7.8
123.04514	11.7
133.02942	9.9
134.03633	0.7
135.04503	10.1
137.02319	2.1
139.00290	0.9
145.02939	26.0
146.03279	0.9
153.05560	12.3
160.01518	0.6
161.02422	26.6
161.04402	1.2
161.05870	0.6
162.02675	1.2
163.03979	5.5
179.03343	2.3
181.04916	1.4
183.10078	2.2
185.46753	0.8
189.63406	0.6
197.11734	1.2
207.10031	2.0
214.81540	0.6
225.11154	1.0
255.02950	81.1
256.03366	6.5
268.03671	0.9
269.04477	4.0
273.07458	2.2
283.02444	55.8
284.00320	0.9
284.03094	12.1
285.03674	2.3
297.03976	11.6
297.09293	1.5
298.04764	16.6
299.02524	0.7
299.05545	9.4
307.04922	0.8
307.08182	13.7
308.08441	0.8
313.03473	4.1
314.03806	1.0
315.10452	1.8
434.80640	0.7
446.08496	18.7
447.08197	2.4
461.10321	100.0
462.10648	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00561	3.5
59.01373	100.0
67.43015	1.2
68.99797	4.7
69.76238	7.7
69.76627	2.2
71.01374	57.5
72.99288	4.2
73.02928	1.9
75.00848	2.2
81.03438	1.3
85.02935	14.1
87.00864	3.0
89.02435	68.4
94.26647	1.2
94.55705	1.1
95.01377	2.7
100.86878	1.5
101.02435	29.0
113.01687	1.6
113.02438	23.7
119.03484	24.7
127.03986	2.9
131.03447	3.7
135.04466	4.5
137.02408	10.7
143.03464	4.9
149.04546	2.2
153.05498	1.6
161.04495	3.2
163.04012	2.0
179.05557	5.5
195.06587	7.3
237.68808	1.3
239.05521	5.3
245.64668	1.2
261.93893	1.2
263.22568	1.3
281.06583	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	461.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.1
58.00588	3.3
59.01371	100.0
61.38211	1.3
68.99813	2.5
69.03461	1.3
69.44788	8.8
70.16231	1.0
71.01373	54.3
72.01691	1.1
72.99294	2.7
73.02953	2.9
74.82342	1.2
83.01401	1.8
85.02933	14.6
87.00871	3.8
89.02432	72.2
90.02782	1.3
93.03429	2.5
95.01363	3.8
97.23078	1.0
99.00845	1.4
101.02425	31.8
103.77605	1.1
107.05042	1.6
109.02896	1.9
111.00856	1.6
111.04507	2.2
111.08127	1.2
113.02435	24.7
119.03491	23.6
119.04904	1.1
121.02918	1.6
127.04011	1.9
127.07655	3.3
131.03487	3.2
132.80814	1.2
133.02911	1.1
135.04514	6.8
137.02414	10.4
137.06068	3.7
143.03485	4.1
145.02969	3.7
149.04462	1.3
151.04025	1.0
153.01964	1.5
153.05516	1.9
155.07178	1.3
161.02396	3.9
161.04509	2.6
163.04013	4.1
173.04544	2.3
177.05470	2.0
179.03522	1.4
179.05579	5.0
183.10240	4.1
190.08641	1.5
193.05026	1.5
195.06671	6.0
197.11829	2.0
209.35635	1.1
215.12849	1.4
225.11293	4.6
229.07188	1.3
239.05589	4.2
247.72643	1.1
255.02943	1.8
257.17624	3.1
269.17615	1.9
281.06610	3.1
283.02469	1.4
284.03174	2.1
287.18683	2.4
297.04211	2.0
298.04712	1.7
299.05453	3.4
461.10489	2.1
461.20038	19.5
462.20111	1.4
479.25739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55399	1.0
52.20955	1.0
53.46087	1.0
55.01863	2.2
57.03407	1.2
58.00579	4.3
59.01373	100.0
68.99801	3.2
69.76403	6.6
71.01374	63.7
72.99296	2.5
73.02944	4.3
83.01364	2.5
85.02938	16.9
87.00855	3.1
88.71880	1.1
89.02436	69.9
93.03472	1.5
95.01366	3.2
96.95997	2.0
97.02955	1.4
98.20525	1.7
99.00844	1.8
101.02438	35.4
111.04529	1.1
111.42701	1.2
113.02431	25.7
113.03224	1.4
113.47544	1.3
118.98048	2.3
119.03489	22.8
125.02444	2.0
127.03989	3.6
131.03479	3.2
135.04504	3.3
137.02408	9.1
143.03493	5.6
149.04477	1.7
153.05400	1.7
161.02361	1.2
161.04541	7.2
162.76236	1.1
163.03976	2.7
165.05518	1.1
175.04008	1.1
179.05663	6.2
179.06966	1.4
193.04997	1.2
195.06563	6.4
202.65340	1.1
239.05556	4.5
243.16571	1.4
269.10284	13.7
281.06769	2.4
299.07507	1.8
401.14340	10.3
461.16312	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	461.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04718	0.3
59.01376	3.6
69.25873	1.8
69.26293	0.8
71.01369	2.2
82.29192	0.2
84.46686	0.2
85.02947	1.5
89.02448	1.4
93.03429	0.8
95.01385	0.3
99.45294	0.3
101.02431	1.1
101.69398	0.2
104.02676	0.3
105.03439	0.3
108.02153	1.0
109.02937	0.5
111.00896	0.4
113.02441	1.1
117.03461	1.2
119.05003	0.8
132.02162	1.8
133.02937	33.6
134.03819	0.6
134.04721	0.3
135.04504	11.0
136.04930	0.3
137.02423	6.8
137.06035	0.7
143.60002	0.3
145.02922	1.3
149.02469	0.3
152.01180	1.3
153.01935	0.5
161.02420	100.0
162.02756	4.1
179.03468	5.8
179.07092	0.7
281.06735	0.8
315.07098	0.6
323.07666	1.3
341.12335	0.4
431.37598	0.3
461.14517	52.9
462.14819	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.4
59.01374	8.2
59.62991	0.2
61.98802	0.7
71.01375	4.5
72.28471	0.2
72.99282	0.3
85.02929	1.5
87.00870	0.4
89.02435	3.9
93.03433	0.7
95.01340	0.3
96.91087	0.2
97.14088	0.2
98.19896	0.5
99.04509	0.4
101.02433	3.3
106.47243	0.2
113.02439	2.3
117.03452	19.1
118.03780	0.7
119.03579	1.4
119.05008	7.9
121.02956	0.4
123.04492	0.7
128.08249	0.2
132.05771	0.3
133.02943	2.8
133.06573	0.9
135.04509	7.8
137.02412	0.4
145.02933	100.0
146.03261	3.8
149.04587	0.3
149.67000	0.2
153.05545	0.7
159.04478	0.2
161.02425	7.7
161.04669	0.3
161.06036	2.8
162.02782	0.3
163.03986	7.6
164.04344	0.3
166.05121	0.5
174.58607	0.2
177.05510	1.1
179.03502	0.3
179.05624	0.3
183.10260	0.5
185.11845	0.5
198.08083	0.2
205.04980	2.4
207.10144	0.2
229.59993	0.3
235.06154	0.3
255.02963	1.8
265.07187	1.0
281.33292	0.2
283.02579	1.1
284.03171	1.0
297.04059	1.0
297.09787	0.6
298.04657	1.5
299.05420	1.7
315.10852	4.3
461.14615	30.5
462.14777	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	461.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97589	0.3
56.52206	0.2
59.01375	4.2
71.01373	2.4
77.03938	0.2
85.02937	0.6
87.00869	0.4
89.02449	1.5
101.02438	1.1
105.03454	0.5
107.69866	0.3
113.02433	1.2
117.03468	1.0
119.03479	0.9
119.05006	1.8
132.02165	1.5
133.02937	29.9
134.03235	0.7
135.04512	7.5
136.04799	0.4
137.02417	0.9
137.06105	0.3
161.02425	100.0
161.99893	0.3
162.02759	4.5
177.05492	0.4
179.03479	4.4
221.04485	0.6
281.06686	0.7
309.27817	0.2
461.14471	74.7
462.14844	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	461.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34390	0.6
52.09390	0.6
59.01375	7.8
67.01865	1.1
68.99791	1.1
69.03414	0.9
71.01375	4.9
85.02924	2.4
86.61069	0.7
89.02442	3.6
93.03442	6.8
95.01355	1.1
98.19812	0.9
99.04501	0.7
101.02441	4.3
105.03405	0.8
107.04951	0.9
109.02922	1.0
111.00861	4.5
111.04488	6.4
113.02448	3.4
117.03443	2.0
119.03455	1.1
119.05013	4.1
121.02952	0.6
123.04487	5.0
127.03959	1.6
132.02139	1.6
133.02942	30.0
134.03600	0.6
135.04500	9.6
137.02435	3.3
137.06068	1.0
139.00330	2.3
142.44666	0.6
145.02927	7.1
146.03389	0.7
153.05562	6.3
161.02420	100.0
162.02812	3.6
163.03999	1.6
179.03465	3.6
181.05032	2.3
183.10236	1.1
211.06207	0.9
220.93240	0.6
255.02950	6.7
256.03796	0.8
268.03680	0.8
269.04562	1.8
273.07654	7.8
274.07925	0.6
275.05759	0.9
283.02457	5.9
284.03101	4.2
285.04251	0.6
297.03952	6.4
298.04767	7.1
299.05569	9.7
299.08707	0.9
307.08194	9.1
343.08395	0.7
357.09744	0.6
361.09274	0.6
393.11740	3.6
418.60559	0.6
439.32104	0.6
461.14804	61.4
462.15024	7.0
463.84149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.4
59.01374	8.2
59.62991	0.2
61.98802	0.7
71.01375	4.5
72.28471	0.2
72.99282	0.3
85.02929	1.5
87.00870	0.4
89.02435	3.9
93.03433	0.7
95.01340	0.3
96.91087	0.2
97.14088	0.2
98.19896	0.5
99.04509	0.4
101.02433	3.3
106.47243	0.2
113.02439	2.3
117.03452	19.1
118.03780	0.7
119.03579	1.4
119.05008	7.9
121.02956	0.4
123.04492	0.7
128.08249	0.2
132.05771	0.3
133.02943	2.8
133.06573	0.9
135.04509	7.8
137.02412	0.4
145.02933	100.0
146.03261	3.8
149.04587	0.3
149.67000	0.2
153.05545	0.7
159.04478	0.2
161.02425	7.7
161.04669	0.3
161.06036	2.8
162.02782	0.3
163.03986	7.6
164.04344	0.3
166.05121	0.5
174.58607	0.2
177.05510	1.1
179.03502	0.3
179.05624	0.3
183.10260	0.5
185.11845	0.5
198.08083	0.2
205.04980	2.4
207.10144	0.2
229.59993	0.3
235.06154	0.3
255.02963	1.8
265.07187	1.0
281.33292	0.2
283.02579	1.1
284.03171	1.0
297.04059	1.0
297.09787	0.6
298.04657	1.5
299.05420	1.7
315.10852	4.3
461.14615	30.5
462.14777	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	461.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01375	12.9
61.98819	2.1
69.03448	1.1
71.01375	11.7
71.61447	1.5
72.99282	2.3
73.02933	1.9
75.00895	1.5
83.01378	1.4
83.05016	1.6
85.02959	7.2
89.02448	5.1
93.03416	1.0
95.01381	2.8
96.96046	1.2
97.02937	8.3
101.02421	2.9
103.27582	1.0
105.07093	1.3
107.05015	2.4
108.05821	5.6
109.02957	2.9
111.04487	5.4
113.02452	13.0
113.06081	5.9
119.05052	1.7
119.47455	1.0
122.03740	2.3
123.04501	1.2
123.08141	4.2
125.06111	6.4
128.90173	1.2
129.02010	1.6
133.02934	4.4
135.04512	29.4
135.05489	2.1
136.05270	4.4
136.32739	1.1
137.06065	2.9
138.06851	5.9
139.07646	18.8
144.96890	1.2
148.05301	2.5
149.06035	1.0
151.03923	1.2
151.07635	33.0
152.04782	5.4
152.08427	13.4
153.09213	7.6
161.02461	12.3
161.04588	2.1
161.09734	2.4
163.04126	1.2
163.07651	4.1
167.07123	1.5
176.52969	1.0
179.03479	27.1
188.17654	1.1
189.09351	1.4
197.02168	1.2
201.12805	9.3
202.13152	1.0
203.10791	3.1
204.11537	14.5
219.13873	27.9
220.14145	1.7
245.11766	1.4
251.09212	2.3
263.12836	100.0
264.13177	8.2
287.12817	1.4
293.18185	1.1
299.05301	1.1
301.03552	3.1
305.13818	3.3
311.09546	1.5
332.98099	1.2
425.17972	2.4
445.81445	1.1
455.34543	1.0
457.05325	1.1
461.15781	26.1
462.16443	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	461.1659
Annotation	Ircinianin sulfate
Peak:m/z	Relative Intensity
55.01865	4.7
57.03435	4.8
58.00587	3.4
59.01373	84.6
64.62678	1.5
69.69363	6.8
69.69765	2.5
71.01376	71.0
72.99292	3.5
73.02938	6.7
83.01395	6.4
85.02940	37.2
87.00877	5.6
89.02436	68.7
91.83762	1.7
95.01369	13.1
96.96027	2.7
98.19865	2.5
99.00845	2.1
101.02434	46.4
102.02731	1.3
113.02438	99.7
114.02759	2.1
119.03497	22.7
119.04999	23.8
131.03474	3.9
137.06061	4.2
143.03506	7.0
161.04538	22.6
179.05598	13.2
182.70593	1.4
245.90543	1.1
299.11331	44.5
300.11636	2.6
461.16589	100.0
462.17105	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	461.1658
Annotation	Ircinianin sulfate
Peak:m/z	Relative Intensity
51.12636	0.3
55.01869	0.9
57.03451	2.3
58.00574	0.7
59.01377	16.3
62.20733	0.3
63.27917	0.3
68.52505	0.4
70.47253	0.8
71.01377	27.7
72.99282	1.0
73.02952	1.6
78.95918	0.5
83.01382	1.5
84.02182	0.5
85.02943	29.6
87.00877	1.2
89.02441	9.1
95.01379	11.9
99.00851	0.7
101.02429	5.2
103.03988	0.5
108.86752	0.3
113.02438	61.9
114.02779	1.4
119.03490	2.7
120.29887	0.4
123.04510	2.5
125.02419	0.6
131.03511	0.5
133.01396	0.4
134.03690	0.6
135.04514	38.4
136.04810	1.2
143.03500	1.1
147.92934	0.3
150.72884	0.4
153.05573	2.1
161.04555	4.0
163.06058	0.4
165.03912	0.5
191.05594	7.3
192.06058	0.5
199.30579	0.3
242.43362	0.4
297.09735	1.5
315.10852	5.0
316.11002	0.5
322.35019	0.4
371.14188	0.4
461.16589	100.0
462.16916	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	461.1658
Annotation	Ircinianin sulfate
Peak:m/z	Relative Intensity
51.97992	0.7
57.03455	3.6
59.01371	18.9
66.72586	0.8
67.92441	0.8
71.01375	22.3
73.02963	1.5
83.01378	1.1
85.02939	28.6
87.00877	1.3
89.02435	7.1
94.04639	0.7
95.01383	9.4
98.19822	1.5
98.20512	3.4
101.02441	3.9
113.02440	51.8
114.02721	1.1
119.03432	1.3
123.04510	2.0
134.18414	0.7
135.04510	33.7
136.04807	1.6
143.03458	1.6
149.47363	0.7
153.05531	2.0
161.04524	4.9
192.82364	0.8
216.59723	0.8
315.10938	4.4
317.87570	0.8
347.17444	0.8
362.84283	0.8
461.16574	100.0
462.16931	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47090	1.2
55.01868	3.6
57.03430	3.5
59.01096	2.4
59.01373	35.1
63.38511	1.2
65.17474	1.4
69.03436	1.7
69.63651	1.5
69.64294	7.5
71.00986	3.1
71.01373	54.2
72.99292	2.5
73.02940	18.3
75.00865	1.8
83.01386	8.1
85.02940	28.5
86.36238	1.3
87.00844	2.6
89.02438	9.5
95.01393	3.1
97.02914	1.7
98.20400	3.9
99.00864	9.8
101.01768	2.6
101.02435	44.6
104.13227	1.3
113.02431	23.4
125.02416	2.5
129.01987	1.6
131.03528	1.7
141.02893	1.6
143.03473	3.1
159.02927	5.4
161.04541	30.7
269.10272	100.0
270.10483	5.8
401.14453	80.1
402.14645	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.5
59.01373	68.2
61.51495	0.9
61.98827	1.5
69.03452	1.2
69.96742	3.7
71.01376	15.3
72.99303	1.4
73.02940	7.7
83.01383	3.6
85.02953	7.3
87.00867	1.6
88.98824	1.5
89.02451	6.6
93.03431	1.7
95.01389	2.7
97.02953	7.1
99.04498	3.8
101.02431	26.3
113.02440	15.6
115.04042	1.0
119.03507	8.2
119.05017	1.0
125.02350	1.6
131.03511	2.3
133.02942	10.4
135.04517	11.2
137.02412	2.6
143.03508	9.1
145.02911	2.3
148.32874	1.2
161.02437	29.5
161.04492	1.2
165.01932	1.3
165.12798	3.9
173.04492	1.4
179.03519	5.3
191.05620	5.8
207.13911	7.8
209.11783	9.3
225.14851	2.3
251.12843	4.0
254.60645	1.0
266.26840	0.9
269.13910	100.0
270.14243	6.4
276.27359	1.0
293.13971	1.0
307.08221	1.2
311.14743	1.2
323.14954	2.0
335.14963	1.1
337.58075	0.9
341.15939	2.8
371.16962	4.5
417.99655	1.0
442.85324	1.0
461.14377	17.5
461.24429	5.2
462.15677	1.8
462.23874	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	461.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99164	0.5
55.01857	0.6
57.03437	0.6
58.00584	2.7
59.01372	65.9
60.01707	0.8
61.98814	1.4
63.44704	0.5
67.01852	0.5
67.70170	0.5
68.88422	0.5
69.03443	5.1
71.01375	66.0
72.01706	0.9
72.99293	3.2
73.02934	16.0
75.00871	2.6
79.01870	0.7
81.03453	2.2
83.01362	3.1
84.52686	0.5
85.02943	6.5
87.00864	2.1
89.02434	100.0
90.02760	1.5
90.49733	0.5
91.52014	0.5
95.01369	1.7
97.02943	9.9
98.20615	1.4
99.00867	23.9
99.04508	1.6
101.02429	29.6
101.06062	0.8
111.00880	1.2
113.02427	8.3
115.03979	5.1
115.07659	0.6
119.03493	1.7
123.04502	0.6
125.02431	35.9
126.02710	0.9
127.04002	0.5
130.57260	0.5
131.03490	13.6
137.02437	1.2
140.73817	0.5
143.03482	4.4
147.11725	0.6
149.04536	37.1
149.09676	1.2
153.09213	6.4
161.04507	2.5
167.10759	20.1
168.11041	1.3
177.12779	1.0
186.22426	0.5
189.36661	0.5
191.05589	12.3
191.10730	3.0
197.08180	6.6
209.11751	3.8
214.78555	0.5
221.06624	1.3
221.11790	3.0
233.06622	19.3
233.11720	0.7
234.07077	1.0
239.12744	1.2
251.07768	1.1
275.07703	1.5
293.08743	29.8
294.09094	1.4
311.09799	0.9
339.24979	0.5
447.13608	0.6
460.92407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2023
Annotation	N-desmethyl loperamide
Peak:m/z	Relative Intensity
57.03430	3.1
58.00579	2.9
59.01374	75.0
61.98811	3.1
67.01894	0.9
68.99802	2.2
69.03443	4.5
71.01373	44.5
71.05024	1.2
71.62630	1.0
72.73902	0.8
72.99297	3.7
73.02934	2.6
75.00861	1.6
81.07113	0.9
83.01373	2.7
85.02937	11.3
87.00854	1.9
87.57296	1.0
89.02434	40.7
93.03424	2.0
93.07081	2.6
95.01363	4.0
95.05006	0.8
99.00846	2.0
99.08138	1.0
101.02431	22.2
107.05012	1.2
109.06586	3.4
111.04474	1.1
111.08146	3.6
113.02438	19.0
115.03979	1.0
117.03454	6.1
119.03501	14.2
119.05000	3.4
123.08114	2.6
125.02418	1.2
125.06065	1.8
127.03948	1.2
127.07632	15.8
131.03517	1.6
133.02916	1.8
133.04999	1.2
135.04521	8.7
137.02420	4.6
137.06076	12.1
139.11276	5.4
143.03487	3.3
145.02934	38.9
146.03210	1.7
149.04559	1.1
149.06052	1.2
153.01926	1.0
153.05548	1.5
155.07144	11.8
161.02451	4.5
161.04533	2.7
161.05965	1.1
163.03966	4.0
165.09151	2.6
173.04535	2.1
178.67555	0.8
179.03412	1.1
179.05554	3.6
183.10233	19.6
195.06589	3.7
197.11829	9.9
211.13412	1.4
215.12997	1.2
225.11299	19.4
226.11639	1.3
226.13950	1.0
239.05405	2.0
255.02975	2.9
255.12296	1.3
256.03705	1.4
281.06732	1.3
283.02527	1.6
284.03275	4.2
285.03983	1.3
297.04147	1.5
298.04706	1.9
299.05435	4.3
315.10895	2.6
370.83636	1.0
461.14755	9.7
461.20251	100.0
462.15204	1.0
462.20724	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3269
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
59.01382	3.2
59.17106	0.6
61.98822	1.6
62.77165	0.7
70.08582	2.6
71.01344	1.0
71.44810	0.7
89.02441	1.3
100.61047	0.7
108.90724	0.7
113.02445	1.4
121.03011	0.7
138.49838	0.7
225.99716	0.8
239.05495	0.9
285.04013	2.0
397.31094	1.5
399.32794	5.0
409.46683	0.8
417.33691	36.9
418.34061	3.9
425.30713	1.0
431.31531	1.6
443.31775	3.4
461.32684	100.0
462.33075	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	461.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90341	0.5
52.23468	0.4
58.79906	0.4
61.98794	0.5
70.86797	0.9
70.87128	0.7
71.04990	1.2
96.54301	0.4
109.06554	0.9
121.02945	2.3
122.03722	2.1
123.04509	19.0
123.08141	0.9
125.87682	0.5
133.06572	1.2
135.04521	8.6
136.05284	21.0
137.02400	0.7
137.06088	2.4
149.06050	1.2
151.07629	6.3
155.55046	0.5
163.03955	1.3
175.07610	1.8
193.08665	0.9
195.06567	0.8
225.26385	0.4
250.68051	0.4
401.34299	0.9
417.38147	0.5
418.34497	0.6
419.35226	41.5
420.35486	3.8
461.36301	100.0
462.36615	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	461.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66555	0.5
57.00927	0.4
59.76115	0.5
61.98814	1.2
70.86848	0.9
70.87172	0.6
71.05003	0.7
78.93710	0.5
85.79441	0.4
99.04491	1.0
107.04997	0.7
121.02960	2.9
122.03773	2.4
123.04516	19.6
123.08121	0.7
124.04887	0.8
133.06596	1.2
135.04514	10.4
136.05290	21.2
137.06082	2.7
149.06049	1.3
151.07651	2.9
163.03979	1.5
193.08736	1.1
203.37375	0.6
262.89398	0.5
327.64996	0.6
367.41354	0.5
417.33685	0.8
419.35242	46.1
420.35587	5.3
461.36301	100.0
462.36673	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	462.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01705	1.8
61.98830	6.1
62.37750	1.0
62.96035	1.1
68.99822	2.3
69.84976	6.1
71.01362	4.4
73.02930	1.2
74.81070	1.1
75.00876	3.0
82.02971	1.3
83.01399	1.6
84.04551	2.2
85.02932	8.8
88.04026	1.9
88.11371	1.1
89.02441	2.2
99.00869	1.4
101.02438	6.2
102.05585	5.9
106.06623	3.9
108.04522	1.9
113.02446	2.4
118.06625	4.7
119.05003	7.6
119.74512	1.1
120.04552	2.7
120.08218	1.5
120.68218	1.0
121.02993	1.2
121.06492	1.6
122.02490	8.7
124.04012	2.3
132.04509	1.7
134.06088	4.6
135.04543	3.2
136.03999	2.2
136.07675	1.9
137.02440	3.3
137.06068	37.9
138.05582	3.6
146.06104	8.8
148.04022	1.4
148.07669	6.7
149.06021	2.3
150.05608	3.3
152.03516	2.4
152.07085	1.5
158.06110	1.8
161.02466	2.4
161.04799	1.4
162.05626	2.5
164.03596	1.5
164.07143	28.1
166.05069	6.5
166.08649	1.5
173.04546	2.4
174.04706	1.2
176.07156	25.5
177.05583	2.8
178.05054	3.5
178.08698	16.8
179.03476	3.1
179.07127	7.8
180.06604	18.7
183.13826	7.3
188.07036	5.6
190.05048	1.5
190.08717	2.9
192.06673	3.9
194.08212	8.3
195.06679	6.7
196.09741	4.8
204.10207	1.5
206.08202	4.0
208.06136	2.8
208.09758	14.9
210.07721	5.1
213.14915	2.7
220.09764	6.3
222.07722	4.4
238.07155	2.9
238.10817	10.4
240.08601	2.6
250.07239	1.8
252.08630	1.9
264.08533	2.1
270.91638	1.4
282.09799	44.1
282.13086	2.9
283.10162	2.5
300.10840	11.9
301.11215	2.0
326.12411	5.1
342.11871	75.8
343.12207	5.1
370.30939	1.2
381.52316	1.3
402.15488	7.8
462.17633	21.7
463.21906	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	462.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10981	0.9
51.37527	0.8
52.18843	0.9
59.01371	77.6
60.01687	1.3
61.98809	3.7
69.57677	5.0
71.01373	1.1
84.04534	11.6
85.02952	4.9
93.03413	2.5
100.04024	1.5
101.02484	1.0
102.05595	31.6
108.05491	0.8
109.75391	0.8
113.02470	0.9
118.06592	2.3
119.04982	2.9
120.04540	5.7
120.08150	2.4
122.02469	34.2
122.06091	1.1
123.04508	2.1
124.03992	1.3
125.06044	1.6
131.03777	0.8
135.04478	1.5
136.04094	0.9
137.06090	1.1
138.05585	2.9
146.06094	25.2
147.04497	2.8
147.06462	1.1
148.04022	0.9
151.07550	1.1
152.03493	1.9
152.07127	7.8
153.05513	1.4
161.02441	1.0
162.05560	1.4
162.09236	2.7
162.12791	0.8
163.06366	1.4
164.03474	2.0
164.07132	14.7
166.05058	2.4
176.07138	1.0
178.08702	37.0
179.03465	2.8
179.07126	4.4
180.02991	2.3
180.06599	1.9
188.07080	1.0
188.10771	3.1
190.05043	3.5
190.08748	1.5
191.32300	0.9
194.11821	1.0
195.06595	39.5
196.07089	1.7
196.09760	8.5
204.10226	3.1
205.05014	2.9
206.08188	1.6
206.11803	1.0
208.06125	2.8
209.07268	0.9
222.07642	11.6
223.06099	10.2
232.09772	3.6
238.07094	1.0
238.10704	3.9
250.07059	0.9
250.10713	1.5
264.12448	1.5
266.10391	4.4
276.08679	0.9
282.10321	1.4
282.13284	5.1
289.59665	1.0
308.11389	2.0
326.12415	32.3
327.12640	2.0
344.11227	1.5
359.11237	1.6
418.15088	2.1
429.29074	0.8
430.15033	2.8
444.16681	3.0
462.17630	100.0
463.17899	11.0
463.24429	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	462.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89198	0.8
52.04408	0.8
52.22133	0.8
55.05589	0.8
59.01371	58.6
61.98793	1.6
69.42357	6.4
78.95873	2.4
79.01315	0.7
85.02941	0.7
92.05044	0.8
93.03453	1.2
98.19825	1.3
101.02436	0.9
104.05016	1.7
106.04156	0.8
108.05322	0.9
110.98475	2.4
118.06543	2.3
119.05025	5.3
120.04554	1.6
120.08175	4.5
121.02872	0.8
131.03711	1.0
132.08092	3.6
133.06601	5.5
136.07629	1.0
137.06056	4.0
144.04526	9.6
145.05316	6.9
146.06100	30.2
147.06358	1.0
148.04033	7.4
158.06041	1.2
160.03935	1.4
160.07654	20.0
171.10136	0.8
178.08701	25.8
179.08925	1.2
185.02129	1.7
192.10309	13.7
195.13707	1.1
196.14108	1.3
210.09158	1.8
222.07713	0.9
224.10643	2.1
224.13423	1.0
266.11826	7.9
268.09625	1.5
276.20355	1.5
287.22165	5.0
288.22592	5.1
293.21295	7.5
294.21524	18.4
295.22311	0.9
298.14243	3.6
310.10794	7.3
324.12354	1.7
331.23996	1.7
342.13394	100.0
343.13739	5.8
375.22974	1.7
400.71362	0.9
414.89529	1.0
424.27612	2.6
462.18744	29.1
463.19409	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	462.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95143	0.5
53.45029	0.6
59.01368	5.1
61.98822	100.0
67.88887	0.5
70.51979	2.0
71.01381	1.4
72.99303	1.2
73.02938	0.9
78.95904	2.0
83.01404	0.6
85.02941	0.8
89.02455	0.8
96.96006	4.3
101.02460	1.1
108.34167	0.5
113.02410	1.1
123.27548	0.6
130.99838	0.9
136.54060	0.5
138.66644	0.6
152.99608	3.0
160.67619	0.5
176.15645	0.5
262.27560	0.5
380.21991	1.6
462.17126	0.7
462.31854	1.4
463.21033	1.5
486.73779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1091
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
55.01886	2.1
57.03426	1.3
58.00581	1.4
59.01373	19.4
63.25668	0.7
69.03430	1.1
70.88711	0.8
70.89040	1.3
71.01376	19.3
72.99301	1.3
73.02944	3.8
74.06468	0.6
81.03452	1.0
83.01409	3.3
85.02948	11.3
87.00864	2.1
89.02434	14.1
95.01378	3.7
96.95991	2.6
96.96901	0.8
97.02954	2.1
99.00864	8.3
101.02434	15.8
107.01340	1.1
109.02964	1.1
113.02436	16.0
119.03509	6.1
119.05009	1.2
123.00871	12.7
124.01649	30.4
125.02442	26.6
125.03117	0.4
131.03471	1.7
137.02383	1.8
138.03229	3.5
139.00349	1.3
139.04022	3.8
143.03462	5.1
149.02347	0.9
149.99570	35.1
151.00346	1.8
159.02919	1.7
161.04535	14.5
161.05850	1.0
163.04010	2.6
166.02690	0.8
167.03529	2.1
168.00621	100.0
169.01357	6.3
177.51807	0.8
179.03444	0.8
179.05571	3.7
179.80637	0.7
181.04976	1.1
221.06665	1.3
228.75038	0.7
301.09238	2.3
309.38828	0.7
323.09796	22.2
324.10083	1.5
331.06662	2.7
335.48981	0.8
445.09735	1.4
463.10834	99.6
464.11154	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	463.1241
Annotation	Caffeoylcalleryanin
Peak:m/z	Relative Intensity
51.08851	1.0
52.96251	0.9
56.52985	0.9
59.01367	6.3
64.28993	1.0
64.81526	1.1
65.00312	1.0
69.62096	0.9
71.01379	5.9
71.62324	1.1
74.42005	0.9
83.52920	1.1
85.02939	3.8
89.02430	3.7
95.01361	1.4
99.00896	1.2
101.02424	4.3
107.01363	1.6
109.02960	1.2
109.59517	1.0
113.02431	4.2
117.03416	1.4
120.99681	1.0
121.02882	1.8
123.00896	5.3
124.01653	15.0
125.02419	1.7
132.02121	1.6
133.02942	32.6
134.03717	3.1
135.04521	20.2
137.02419	2.0
138.03165	1.5
139.04004	8.4
149.04543	1.5
149.06047	1.4
151.00397	4.8
153.09183	4.0
156.38521	1.1
161.02425	100.0
162.02728	1.8
163.00369	1.5
163.03922	1.6
173.04459	1.3
177.05544	2.1
178.99834	2.7
179.03481	12.6
197.08128	4.7
203.03377	1.3
205.03505	1.5
215.09210	3.0
221.04430	3.9
226.02425	1.2
243.02844	3.6
247.04646	1.5
251.05476	2.1
255.02953	10.7
270.99625	1.8
271.02441	28.2
272.02844	2.6
281.06662	2.2
300.02713	39.9
301.03470	24.1
302.03778	1.6
323.07587	9.6
324.30072	1.2
325.56348	1.0
341.08542	1.6
347.17035	3.5
406.22305	1.0
431.41299	1.1
463.07501	11.2
463.13284	58.9
463.22424	2.6
464.13498	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	463.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01702	1.7
67.01875	3.5
68.99806	8.2
69.03456	1.9
69.70443	8.0
71.01369	23.3
83.01379	1.5
85.02946	4.8
89.02431	36.8
95.05010	19.4
97.17993	1.1
101.02426	34.9
102.89833	1.2
111.00865	4.1
113.02441	12.5
119.03490	15.5
120.99642	2.8
121.02921	5.0
127.03996	14.4
139.00334	13.3
139.03969	7.5
140.00800	1.3
143.03471	4.7
147.04500	1.4
149.04503	2.5
151.51881	1.2
161.04523	3.2
165.05542	4.1
177.65886	1.4
179.05573	7.3
179.06966	1.5
197.08179	7.3
209.04474	5.4
223.06067	4.0
241.07150	32.1
296.53210	1.4
318.95587	1.4
356.46967	1.4
359.13379	4.1
402.55331	1.5
403.12405	2.2
411.05569	1.3
463.16940	3.0
484.11612	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	463.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	32.6
59.14651	0.7
63.79325	0.7
64.00745	0.6
64.01093	0.7
65.23492	0.6
67.01886	8.6
68.99807	5.0
69.03462	1.7
71.01368	2.2
83.30362	0.7
89.02448	3.7
95.05019	44.7
96.05344	1.3
99.04519	0.7
101.02434	29.8
111.00867	3.1
111.04527	0.9
113.97536	0.7
119.03468	1.1
121.02952	10.0
123.04507	2.3
127.04000	52.1
128.04344	1.2
135.19917	0.7
139.00365	23.4
139.03993	20.2
140.00757	1.0
147.04527	0.9
161.12891	0.7
165.05547	6.9
171.02965	1.8
209.04497	3.3
223.06030	2.6
241.07146	100.0
242.07506	5.6
403.12357	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	463.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91756	0.4
54.38908	0.4
59.01374	8.7
59.62812	0.4
61.15172	0.5
61.40691	0.5
67.01878	2.4
68.99809	1.6
69.03458	0.7
71.01377	1.6
71.40249	0.4
78.95886	1.0
79.95727	3.1
85.02935	0.6
87.00806	0.5
89.02452	1.3
92.90582	0.4
95.05025	8.8
96.95999	100.0
97.95967	0.4
101.02431	6.0
111.00865	1.2
113.02448	0.7
121.02931	2.0
127.04001	11.2
127.04934	0.7
139.00362	7.1
139.03975	3.5
144.22183	0.4
155.26909	0.5
165.05562	1.9
227.06647	0.7
241.07155	18.0
365.18134	1.9
463.18228	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	463.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57091	1.7
56.09978	1.9
59.01377	16.2
61.98839	5.4
70.72977	4.6
71.01381	3.5
74.84670	2.0
78.95889	23.6
79.05518	10.8
85.02933	2.2
85.37767	1.9
96.96018	7.5
96.96873	2.0
99.04504	3.3
99.29353	2.1
101.02436	3.0
105.07076	2.2
121.02918	3.9
125.06046	2.6
135.04541	2.7
143.08636	3.5
145.10199	5.8
152.99538	33.7
155.08711	2.2
159.11746	2.4
161.02361	3.7
169.10211	2.2
171.00700	2.2
171.11743	4.3
173.04509	3.2
173.13315	7.2
217.00214	7.7
236.22157	2.1
239.17973	7.2
292.73001	2.1
293.21243	3.9
295.22250	10.8
331.24268	31.8
371.64487	2.1
373.69058	2.1
375.23227	100.0
376.23508	8.0
427.97018	1.9
445.22632	3.4
463.23691	10.4
464.30246	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	463.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
57.03440	5.2
57.50588	1.0
58.00572	1.4
59.01370	38.8
71.01372	100.0
72.01694	1.4
72.99274	2.7
73.02937	30.1
75.00855	3.3
83.01382	10.9
85.02937	47.6
86.03273	2.7
87.00861	4.0
89.02430	30.8
95.01379	8.5
97.02929	3.5
99.00866	14.4
100.50706	1.1
101.02431	61.7
102.02782	1.4
111.00899	1.4
113.02431	52.3
114.02780	4.8
115.02873	3.2
115.04012	1.5
119.03463	4.0
119.95486	1.1
124.01602	1.3
125.02414	5.3
129.01901	1.9
131.03470	6.1
133.02956	2.0
135.04509	7.6
136.04825	3.3
137.05016	2.0
143.03461	6.0
149.04510	7.9
152.01118	1.2
159.02950	6.9
161.02551	5.7
161.04532	51.1
162.04900	1.7
179.05586	2.0
182.08083	1.2
191.05566	2.7
205.03421	1.7
228.39636	1.1
233.06570	1.9
263.93640	1.1
271.02350	3.6
293.08820	2.1
300.02643	6.1
301.03467	2.7
331.17572	90.6
332.17862	5.6
347.16721	2.2
385.19131	1.0
392.02652	1.0
435.13635	1.0
440.73315	0.9
445.66208	1.0
463.08466	4.4
463.16824	19.4
463.21793	95.3
464.16791	1.7
464.22321	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
57.03448	2.5
58.00591	3.6
59.01372	93.3
60.01705	1.2
61.98824	2.1
62.18363	0.4
69.03445	1.3
70.44164	1.1
71.01373	83.1
72.01717	1.0
72.99294	4.0
73.02937	12.8
75.00884	0.7
76.45850	0.3
81.03429	0.4
83.01376	6.1
85.02943	19.0
86.03280	0.5
87.00861	4.2
89.02432	100.0
90.02785	1.3
93.03429	0.4
95.01378	3.6
97.02962	1.5
99.00871	4.2
101.02432	56.7
102.02792	1.3
111.00877	0.6
111.50620	0.3
113.02434	28.3
114.02804	0.7
115.00404	0.6
115.04017	0.7
117.38172	0.4
119.03489	29.9
120.17695	0.3
122.47118	0.4
125.02433	3.0
125.03243	0.4
129.01942	0.6
130.29832	0.4
131.03488	22.9
132.03835	0.6
133.02904	0.5
135.04515	0.9
143.03491	6.0
149.04533	49.3
150.04875	1.1
151.11234	0.4
159.02986	0.8
161.02403	1.4
161.04536	11.0
162.98553	0.3
163.03947	0.4
169.12350	0.5
173.04579	0.5
179.05589	18.4
180.05930	0.6
191.05583	10.3
202.26849	0.4
233.06497	0.5
251.07655	1.0
275.07248	0.3
289.16669	0.5
293.08688	0.9
311.09766	0.5
328.49615	0.4
331.17557	18.5
332.18027	1.9
403.19513	0.5
420.62601	0.4
463.21832	18.4
464.22043	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	463.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92007	0.3
53.97955	0.3
55.01869	5.1
57.03438	5.6
57.44938	0.3
58.00580	1.5
59.01372	35.7
61.98516	0.3
61.98817	0.7
67.01863	0.4
68.99805	0.5
69.03439	1.7
71.01373	98.7
71.61115	0.3
71.61504	0.5
72.01719	1.2
72.99305	2.7
72.99702	0.4
73.02936	36.4
74.03262	0.3
75.00861	2.2
81.03459	1.0
83.01377	11.7
84.02172	0.4
85.02940	44.4
86.03291	0.5
87.00860	3.7
89.02431	19.6
95.01374	8.3
97.02946	4.1
99.00866	14.4
101.02430	59.4
102.02754	0.9
111.00866	0.7
113.02434	38.6
114.02792	0.8
115.03996	1.1
119.03480	2.6
121.02908	0.4
125.02431	5.2
129.01953	1.4
131.03477	3.8
133.02905	1.0
134.03323	0.4
135.03491	0.5
135.04533	0.8
139.00427	0.4
141.01906	0.3
143.03476	5.5
149.04509	3.0
159.01682	0.4
159.02972	8.4
161.02370	2.5
161.04530	61.8
161.85242	0.3
162.02777	1.4
162.04785	1.5
163.02924	0.8
164.03528	0.5
179.05618	0.6
191.05592	1.1
201.31073	0.3
205.03508	1.5
233.06696	1.7
268.08157	0.3
293.08719	1.2
331.17557	75.7
332.17966	4.9
373.18417	0.6
375.16461	1.1
463.21600	100.0
464.16055	0.4
464.21832	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00172	0.5
55.01869	4.7
57.03440	4.1
58.00584	0.9
58.41581	0.4
59.01373	35.4
60.01728	0.5
61.98819	1.5
68.99814	0.5
69.03447	1.5
69.36285	1.5
69.36694	2.6
71.01373	73.4
72.01703	0.9
72.99280	2.9
73.02937	28.3
75.00851	1.0
81.03448	0.8
83.01377	8.2
85.02940	33.3
86.00091	0.6
86.03271	0.6
87.00860	3.3
89.01904	1.1
89.02438	15.8
95.01375	6.0
97.02954	3.0
99.00868	10.4
99.04529	0.6
101.02431	44.9
111.00897	0.6
113.02437	28.8
115.03988	1.1
119.03471	2.3
125.02425	4.1
128.60797	0.5
129.01886	1.1
131.03487	2.7
133.02919	1.9
134.03302	1.4
135.04480	1.1
143.03491	3.7
149.04507	2.7
159.02966	6.2
161.02592	4.1
161.04533	47.5
162.02786	3.0
162.04861	1.2
163.02892	1.4
179.03444	1.0
191.05475	0.8
192.52165	0.5
204.10255	0.6
205.03506	1.3
227.20364	0.4
233.06564	2.2
283.66708	0.5
293.08655	0.8
331.17569	58.8
332.17938	4.4
334.07141	0.5
463.21500	100.0
464.15775	0.6
464.21796	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	463.2178
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
51.44426	0.4
55.01882	3.7
57.03436	2.9
58.00589	2.8
59.01371	79.9
61.08843	0.5
69.03453	2.3
69.26639	3.8
71.01373	82.5
72.01727	0.9
72.99301	4.0
73.02937	29.3
74.03293	0.6
75.00868	2.3
75.45049	0.4
77.98684	0.4
81.03461	1.0
81.36890	0.4
82.10548	0.4
83.01368	7.8
83.01854	0.7
84.02169	0.7
85.02940	23.7
87.00869	3.1
87.87519	0.4
89.02431	87.8
90.02772	1.4
95.01373	4.4
96.95978	0.5
97.02960	3.0
98.48348	0.5
99.00867	29.8
99.04493	0.7
100.01236	0.6
101.02429	61.8
102.02776	0.9
107.37164	0.6
109.02837	0.5
111.00867	1.3
113.02432	26.2
115.04000	2.6
119.03485	11.6
121.02945	5.0
125.02432	7.3
125.04531	0.5
127.03946	0.5
129.01889	0.8
131.03488	16.9
135.04520	1.1
139.03918	0.5
143.03500	4.8
145.02965	1.1
149.04533	55.0
150.03137	0.5
150.04906	1.2
159.02934	2.5
161.02414	1.0
161.04546	13.1
162.04825	0.5
163.03943	0.7
173.04578	0.9
179.05565	4.2
183.10220	0.9
191.05577	15.0
192.05835	0.6
197.08211	0.5
221.06618	2.6
231.90344	0.5
233.06674	3.3
241.07088	0.5
251.07622	4.8
253.04979	0.5
271.30078	0.5
293.08728	3.3
301.03494	0.7
301.10776	1.7
310.56500	0.5
313.16357	1.6
315.14557	0.7
331.17557	22.6
332.17926	1.3
345.15341	1.1
445.14966	0.9
445.20718	0.7
463.21814	100.0
464.22202	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	463.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13676	7.9
59.01369	36.6
61.98833	20.1
62.86014	8.0
70.10149	9.4
92.95584	7.2
95.05025	18.5
104.87877	7.4
138.40250	7.8
139.00299	10.2
147.12923	7.9
152.78728	8.0
159.86972	9.0
163.06084	9.8
182.27740	8.4
194.98805	32.0
195.79327	7.9
217.00247	21.4
241.07135	26.1
263.20059	100.0
367.44461	9.4
455.75891	8.9
458.10291	7.7
463.09976	16.1
463.24637	20.5
463.34161	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	463.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.65657	0.6
59.01095	1.1
59.01373	17.2
59.53016	0.6
60.01689	0.6
61.98837	3.4
69.03450	1.5
69.91335	3.0
71.01378	14.6
72.99314	1.3
73.02928	1.7
78.95876	0.9
81.03430	0.7
82.95419	0.7
83.01390	1.7
83.80793	0.6
84.04514	0.9
85.02942	3.8
85.43056	0.6
86.00055	0.7
87.00862	1.3
88.98781	2.1
89.02431	3.1
93.00999	0.6
95.01361	1.2
95.05037	3.6
96.95989	2.4
97.02933	0.6
98.19889	0.8
98.25007	0.6
99.00894	0.8
99.04527	0.7
100.04041	1.4
101.02438	4.6
102.05558	0.7
108.11790	0.6
109.06644	0.8
111.00862	0.7
113.02419	3.3
113.09700	0.9
119.05022	0.8
125.02425	1.5
135.04453	1.4
137.01164	1.7
137.02382	1.5
137.06064	2.0
146.06029	0.7
151.03978	1.2
152.03517	31.6
152.99536	0.9
153.03865	3.9
161.02444	1.2
161.04506	0.9
166.05026	1.4
167.05414	0.7
172.21161	0.6
178.08723	1.4
179.03439	1.8
179.07106	1.4
180.06664	0.9
190.05128	0.5
193.14716	0.5
194.04530	1.2
195.04831	0.7
195.08549	0.8
221.19070	18.2
222.07625	5.4
224.05583	5.1
237.18590	0.8
238.07191	2.0
239.07494	2.2
239.20135	2.6
251.44649	0.6
254.10242	2.5
257.21136	1.4
265.18030	12.7
266.10382	0.6
266.18372	0.9
283.16013	1.1
283.19125	16.2
283.22247	0.5
284.19467	0.9
294.09799	4.5
301.20157	43.2
302.20569	4.0
324.75690	0.7
325.11234	1.1
325.19980	1.4
343.21124	1.1
427.22977	1.1
445.24301	5.6
463.18701	6.0
463.25418	100.0
464.19086	3.0
464.25726	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	463.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19680	0.5
57.03432	1.2
58.00583	1.2
59.01373	74.9
60.99295	1.3
61.98823	1.3
64.89151	0.7
69.03471	1.0
71.01374	19.5
71.62072	0.9
73.02930	1.7
73.88853	0.6
79.05520	1.5
83.01379	1.1
85.02943	5.6
86.03319	0.9
87.00873	1.0
88.98800	7.3
89.02433	17.0
89.02982	0.8
95.01373	2.1
95.05028	2.0
96.95986	1.4
97.02958	0.9
97.06580	3.6
99.00851	0.9
101.02445	10.1
113.02438	8.0
115.94590	0.6
119.03481	6.1
123.04561	0.9
125.06061	1.2
128.44606	0.7
131.03482	0.6
133.02943	1.2
135.04507	1.8
141.05537	1.2
143.03510	1.1
145.02974	0.7
149.04572	1.1
152.03604	0.7
161.02423	3.1
161.04477	1.4
162.02815	1.2
179.03448	0.8
179.05603	1.4
236.58849	0.7
239.12999	0.8
265.10727	0.7
265.18024	0.9
283.11829	7.0
283.19073	1.5
300.14490	0.6
303.21518	0.9
331.17673	0.8
334.16980	0.9
445.24335	2.7
463.18188	8.0
463.25424	100.0
464.19223	1.1
464.25656	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	463.3788
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
69.46639	13.0
78.95900	1.7
98.20644	3.4
120.05806	4.2
125.06086	3.6
131.53407	1.6
131.93259	1.6
135.08134	17.5
137.06068	2.0
149.63231	2.0
169.02605	1.7
231.72841	1.7
295.26312	4.7
328.74619	1.7
403.35626	3.0
421.37000	24.2
422.37607	3.5
463.38013	100.0
464.38208	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	463.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27671	0.3
68.87457	0.3
71.07230	0.5
74.47483	0.3
94.66932	0.3
102.24868	0.3
109.02954	0.4
120.05808	2.1
122.03757	0.3
125.06067	3.1
126.93974	0.3
135.08150	15.8
136.08438	0.4
137.06067	2.6
138.06821	0.5
151.07584	0.4
153.09225	0.7
170.05832	1.7
238.12769	0.3
403.35861	2.0
405.33789	0.4
421.36816	34.8
422.37207	3.6
448.53406	0.4
463.37875	100.0
464.38184	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.21077	0.2
61.98823	100.0
62.25246	0.2
69.54393	1.5
71.01347	0.3
88.98856	0.2
90.16455	0.2
98.20650	0.5
98.60168	0.2
110.75631	0.2
141.91597	0.2
197.08165	0.3
215.09251	0.3
216.09566	0.3
358.63876	0.3
372.54877	0.2
404.15390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01052	0.6
59.01372	51.3
61.98824	100.0
63.92064	0.6
69.94664	0.6
71.01371	3.0
71.61809	1.2
73.02960	1.0
78.95898	3.0
80.23927	0.6
81.45145	0.6
85.02947	1.0
89.02425	1.5
99.00858	0.6
101.02461	2.1
113.02433	0.9
119.03575	0.7
120.04559	1.1
128.03534	0.9
130.08768	2.1
133.24562	0.6
135.04527	0.8
137.06090	1.0
152.03494	0.8
152.99634	1.8
161.02426	0.7
161.04565	1.0
179.03494	1.1
189.01157	0.7
266.10455	1.5
315.18353	2.4
390.56769	0.7
391.61441	0.7
464.21518	1.3
465.26028	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	464.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.0
61.98822	100.0
69.55258	2.2
71.01359	1.5
78.95920	0.4
101.02433	1.1
113.02473	0.7
114.34280	0.3
133.31699	0.3
161.04596	0.9
216.61914	0.3
224.98927	0.3
315.18158	1.5
357.19458	0.3
425.66916	0.3
452.77637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14993	0.3
57.95935	0.4
59.01372	9.6
60.47708	0.4
61.98824	19.8
68.01411	2.7
69.03445	4.9
69.54264	2.2
69.54670	0.8
69.82738	0.4
71.01376	10.7
72.88981	0.4
78.95894	0.5
88.19009	0.4
88.98798	0.7
93.02168	0.7
95.05014	11.7
96.04543	1.3
96.05348	0.4
100.04040	5.5
109.01667	1.0
119.05012	0.5
120.08181	0.9
121.02937	1.8
121.42812	0.4
135.04501	0.4
137.01208	4.7
137.02309	0.6
137.06079	2.5
143.03476	0.4
146.06085	0.9
148.04060	0.7
152.03514	100.0
153.03876	2.8
172.06151	3.7
172.07578	0.6
178.08711	5.5
179.07172	1.3
180.06654	2.0
190.05101	1.5
208.06174	1.0
222.07675	18.6
223.07973	0.6
224.05615	17.7
225.05945	0.5
239.13019	0.5
254.10312	9.7
262.06976	0.6
266.10172	0.6
287.48181	0.4
290.10233	0.6
294.09790	17.0
294.13126	0.9
295.10229	0.7
326.12436	0.9
374.16116	1.4
432.16751	0.7
464.19150	10.0
464.25247	0.7
465.19662	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	464.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94651	0.4
59.01357	1.2
61.98819	0.5
67.01856	0.4
68.01395	1.4
69.03452	3.7
70.34866	0.4
71.43969	0.7
74.17489	0.4
79.01905	0.4
84.04536	8.7
94.02971	1.0
95.05016	3.8
98.20564	0.4
100.04037	3.7
102.05614	0.6
108.04575	0.4
110.06110	5.8
111.00891	0.5
111.04480	0.5
113.02488	0.6
115.25615	0.5
121.02991	0.7
122.02483	0.6
125.97665	0.4
133.04654	0.4
134.06114	0.6
137.01175	4.3
137.06062	2.0
138.01955	0.7
139.03990	1.5
142.08691	0.9
152.03514	100.0
152.99591	0.6
153.03847	2.7
154.05072	2.6
154.39165	0.4
162.05562	1.4
164.07097	0.6
168.06613	1.1
171.02206	0.5
178.08679	1.1
180.06674	2.3
186.07684	8.9
196.06099	0.9
196.28543	0.4
206.04616	0.9
212.09238	0.8
222.07747	2.7
224.05513	0.6
232.09839	0.8
238.07167	37.4
239.07520	1.4
259.09756	0.5
266.10327	0.7
276.08853	0.8
282.07108	0.6
282.09763	2.6
308.11356	5.2
326.12396	6.9
327.12979	0.5
376.13962	0.7
384.25543	0.5
420.16684	2.2
420.27524	0.7
446.18234	1.7
464.12500	0.9
464.19128	8.9
464.24982	0.4
465.19659	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74201	0.2
59.01379	0.5
71.01364	0.3
78.91879	0.9
79.95722	2.9
85.02942	0.3
89.02433	0.2
93.03445	0.3
96.96001	100.0
97.95952	0.4
98.20613	0.7
107.73264	0.2
109.02967	0.2
114.77654	0.2
134.03693	0.4
151.00337	0.2
173.04497	2.0
191.05583	0.4
193.05064	0.3
229.93024	0.2
367.10278	0.6
487.71756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.07
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67929	0.2
59.01374	2.5
61.98820	2.4
62.53110	0.2
69.30960	0.8
69.31388	0.8
71.01367	1.0
77.55816	0.1
79.95731	2.4
85.02926	0.2
85.41949	0.2
89.02431	1.2
89.79566	0.2
96.96001	100.0
97.95909	0.2
101.02422	0.5
103.18624	0.1
110.07558	0.2
113.02454	0.3
119.03439	0.4
134.03726	0.6
143.03467	0.2
167.10785	0.3
179.05557	0.4
193.04968	0.3
243.08705	0.5
303.05212	0.2
303.08911	0.2
327.71518	0.2
367.10141	0.3
405.21347	0.9
465.14804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03444	10.1
59.01369	10.1
60.01693	1.0
61.71344	1.1
61.98814	4.0
63.02396	1.2
65.00313	3.5
69.27103	3.7
69.27525	7.3
71.01381	6.7
73.02924	1.5
73.92240	1.1
76.00597	1.2
82.95403	2.3
83.01382	5.3
85.02921	2.6
87.00819	1.1
89.02416	4.1
93.03444	1.4
95.01393	3.3
96.95989	4.6
99.04511	1.6
101.02438	3.5
107.01387	5.3
108.02177	3.2
108.04494	1.1
109.02953	6.9
111.00850	2.8
113.02417	3.1
113.92066	1.1
121.02938	2.9
122.03761	2.0
123.00866	1.2
123.04523	5.2
124.01659	5.5
125.02437	100.0
126.02799	3.2
134.03770	1.4
135.04529	2.9
137.02415	8.0
139.00325	2.4
139.04015	3.2
140.07175	1.6
147.04523	1.6
149.02420	5.6
149.06070	1.5
150.03169	4.6
151.00359	22.2
151.03990	8.4
152.01172	13.4
153.01920	12.0
161.02406	4.3
164.29959	1.1
165.05489	1.2
167.03441	3.0
173.04533	1.1
173.06009	1.8
174.03253	2.1
175.03989	20.3
177.01907	25.4
178.98387	1.6
178.99855	17.5
179.03444	2.5
181.01422	3.1
187.04053	1.3
188.04784	1.9
189.05539	4.0
193.04965	3.2
197.06154	1.2
197.08185	1.3
199.03993	11.9
201.01915	2.3
213.05569	2.3
216.04245	1.7
217.04999	15.2
231.06737	1.8
241.05045	9.5
257.04544	2.9
259.06104	7.3
275.05545	5.6
281.06680	1.6
285.04010	78.2
286.04401	5.2
303.05066	73.4
303.07797	0.8
303.12259	7.9
304.05380	3.8
331.14014	1.2
405.21237	1.7
447.09290	1.3
465.10300	75.0
465.18970	6.0
466.10431	8.3
493.41129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17174	0.4
59.01372	59.7
60.01713	0.5
66.05394	0.4
69.62537	2.9
71.01372	0.4
77.60734	0.4
78.95885	0.8
89.02435	3.4
96.96002	1.5
96.96962	0.6
109.65414	0.5
111.02046	0.6
137.02420	2.1
141.01912	1.9
165.01913	30.7
166.02208	0.9
179.03386	0.6
180.04259	28.6
181.04619	0.9
195.06601	100.0
196.06934	4.7
210.05228	0.8
229.34196	0.4
243.08685	22.4
244.08954	0.5
334.28012	0.5
349.28067	0.5
400.61887	0.6
429.16025	1.1
465.12662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58157	3.1
56.58262	2.9
56.61583	2.8
57.03424	3.4
59.01091	6.3
59.01373	98.6
60.21270	2.9
60.99303	10.3
61.98824	22.5
63.10946	3.3
69.64768	19.1
71.01376	49.7
72.99310	3.9
78.95910	5.9
83.01411	6.8
85.02951	11.9
87.00854	7.4
88.98801	70.2
89.02436	100.0
95.01402	5.4
96.75456	3.0
96.96002	44.8
96.96951	7.2
98.19901	6.5
99.38824	3.1
101.02435	30.2
105.01962	4.2
113.02457	23.3
119.03498	29.2
121.76538	3.2
131.03532	5.1
143.03458	7.7
149.04555	7.7
161.04538	13.0
165.01889	12.3
165.47229	3.0
177.01945	8.9
179.03389	3.7
179.05627	40.9
180.04222	12.1
181.04999	5.0
191.05586	55.9
192.04280	4.0
195.06599	34.9
196.06960	3.9
207.06552	3.2
243.08682	8.6
249.07321	3.3
302.24615	3.3
353.08749	9.6
395.12735	3.4
454.97302	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	465.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.7
58.00574	3.1
59.01372	94.3
59.10385	1.9
61.98830	11.3
69.03429	5.3
69.63717	2.1
69.64352	8.7
71.01373	61.7
71.05000	4.8
72.99288	3.3
73.02916	2.5
83.01376	2.9
85.02940	14.4
86.87818	2.0
87.00861	6.0
89.02431	85.1
89.02994	4.3
93.07083	4.7
95.01359	5.3
95.08666	4.9
98.20659	1.8
101.02442	35.3
113.02435	29.1
119.03513	38.5
119.05005	61.5
121.06582	45.4
125.02411	2.0
125.09708	4.5
131.03523	5.4
137.06047	5.5
139.07632	81.1
139.08704	4.8
143.03464	6.6
149.04539	3.7
152.03511	4.1
153.03850	3.3
153.09245	13.9
161.02417	2.7
161.04514	6.1
163.07584	4.8
179.05566	15.8
181.08673	6.1
193.08675	3.6
194.52498	2.3
196.88795	2.3
215.16510	2.4
281.10101	5.4
299.11316	100.0
300.11563	6.6
369.12347	2.3
421.18652	4.1
491.69135	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	465.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.4
56.03161	2.2
56.37048	1.9
57.03462	2.3
58.00605	3.0
59.01369	93.5
61.98833	16.3
68.89248	1.8
69.03437	5.6
69.68301	7.6
69.68713	4.9
71.01372	61.0
71.05006	3.2
72.99310	5.0
75.14559	2.0
78.95908	5.1
85.02930	10.2
86.79070	1.9
87.00864	5.1
88.98743	2.3
89.02433	79.9
91.35793	2.1
93.07111	4.4
94.95081	2.2
95.01376	5.3
95.08686	3.5
101.02426	36.0
103.37531	2.0
113.02439	26.8
119.03500	32.9
119.04998	50.9
121.06570	41.2
125.09713	2.4
131.03500	4.4
137.06075	6.3
139.07632	71.2
140.08072	3.2
143.03462	4.7
152.03526	4.9
153.09186	10.4
160.17091	1.9
161.02467	3.6
161.04532	8.1
163.07634	5.7
175.82268	2.0
179.05560	16.9
181.08678	5.6
184.44579	1.8
193.08731	3.4
215.16441	3.6
274.05923	1.9
281.10309	5.4
299.11313	100.0
300.11639	7.9
301.20035	3.6
322.70157	2.1
346.94760	2.3
392.81018	2.3
409.22504	2.2
421.18491	2.7
432.24310	2.2
455.09528	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2333
Annotation	Rhodioloside E
Peak:m/z	Relative Intensity
54.15325	0.4
55.01873	2.7
57.03438	2.1
58.00578	1.1
59.01374	30.7
67.01885	0.4
69.03445	1.4
71.01373	40.7
72.01684	0.6
72.99300	1.9
73.02937	17.1
75.00854	1.8
78.74464	0.5
81.03417	0.4
83.01382	7.1
83.05001	0.4
85.02940	17.8
86.00109	0.8
87.00872	2.9
89.02432	19.7
95.01363	2.4
97.02946	2.4
99.00867	8.7
99.04519	0.7
100.55968	0.3
101.02432	35.7
103.09606	0.4
111.00872	1.9
113.02435	14.3
113.03231	0.7
115.03992	1.5
119.03498	4.2
119.04982	2.2
120.05362	0.5
123.04510	1.6
125.02448	3.5
129.01927	0.8
131.03490	3.8
133.02895	0.7
135.04488	1.1
141.01976	0.5
143.03455	2.3
149.04524	5.5
150.62621	0.5
153.05557	1.0
159.02975	2.7
161.02394	1.7
161.04524	11.4
163.04030	1.3
164.04344	1.2
171.13901	0.7
173.04536	0.5
179.03444	0.8
179.05556	1.8
183.86298	0.4
191.05576	1.8
195.06685	0.6
195.08472	0.7
233.06654	2.5
251.07617	0.4
293.08661	1.8
315.18201	0.6
317.17825	0.6
323.07593	0.6
333.19125	37.4
334.19330	2.3
348.94409	0.5
465.23325	100.0
466.23618	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	465.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	9.9
58.00582	2.5
59.01371	100.0
60.99322	1.3
61.98821	12.0
71.01375	32.2
72.99279	2.1
73.02917	2.1
74.99079	2.4
81.03431	4.2
83.01392	2.2
83.04999	1.5
85.02928	7.9
87.00838	2.8
88.98789	4.9
89.02432	46.1
93.03445	3.0
95.01366	2.1
95.05018	2.4
96.95999	12.5
97.37542	1.2
99.00878	2.0
99.04494	5.4
101.02425	19.7
109.02947	3.5
112.05225	2.8
113.02444	18.8
119.03484	16.2
123.04520	2.5
125.02423	7.2
131.03493	2.6
133.02930	3.4
135.04503	2.1
136.99097	2.4
137.02397	5.3
137.09741	2.7
143.03448	4.9
145.02936	4.8
149.04520	2.9
149.09697	27.2
150.03181	1.4
150.10074	1.7
151.04021	1.8
156.89610	1.1
160.03996	2.7
161.02444	2.6
161.04532	8.0
163.04001	1.8
165.05513	1.7
167.03476	28.9
167.10750	55.5
168.11102	2.2
173.04565	2.9
179.03404	2.8
179.05579	22.5
179.07120	1.7
191.05550	2.0
197.04503	5.0
199.62108	1.1
220.06839	1.2
225.14969	12.2
225.35381	1.1
235.02376	5.4
236.28450	1.1
243.15955	3.1
281.13242	1.2
287.07672	2.9
303.08713	1.9
323.06723	1.4
333.15228	1.3
345.06122	7.1
375.06998	1.6
405.21252	40.6
406.21890	2.2
421.11252	1.6
429.13907	5.1
465.19446	6.0
466.19275	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	465.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19557	0.2
55.01869	1.2
57.03446	0.9
58.00582	0.4
59.01374	49.2
60.01686	0.3
61.98820	0.3
68.99847	0.2
69.03437	0.2
71.01375	10.8
71.62426	0.2
71.62826	0.2
72.99300	0.6
73.02934	4.9
83.01374	3.3
85.02941	7.0
86.00085	0.6
87.00885	0.8
89.02447	1.7
93.03435	0.4
95.01373	1.2
99.00885	1.8
99.08170	0.2
99.86821	0.2
101.02431	11.8
111.00863	0.8
113.02442	5.3
119.03516	0.5
129.01910	0.4
129.09264	0.2
133.14084	0.2
134.03668	0.2
135.04579	0.2
139.00409	0.3
143.03458	0.3
159.02965	0.7
161.04561	1.5
163.04083	0.2
167.38997	0.2
189.40730	0.2
190.54924	0.2
203.74980	0.2
221.48375	0.2
237.80705	0.2
243.19652	1.1
268.41669	0.2
275.08121	0.2
285.20624	0.3
288.87628	0.2
303.21652	0.4
331.35678	0.2
405.24927	2.4
447.25934	3.4
448.26312	0.4
465.26947	100.0
466.27304	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	465.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03433	1.2
59.01374	45.2
61.98540	0.5
61.98830	3.1
68.35183	0.4
69.03454	0.5
71.01373	10.1
72.99287	0.7
73.02946	3.8
78.91868	0.5
78.95888	2.5
83.01382	3.3
85.02935	5.7
87.00860	1.0
88.98785	1.2
89.02441	2.0
91.13963	0.4
95.01363	1.0
96.95982	1.1
96.96964	1.2
99.00856	1.9
101.02429	9.1
111.00881	1.0
113.02433	4.3
119.03449	0.5
119.04952	0.4
125.02432	0.5
135.04489	0.5
137.06039	0.6
145.02927	0.6
159.03001	0.6
161.02425	0.9
161.04489	0.9
163.04124	0.4
172.43387	0.4
210.07219	0.4
243.12253	0.5
243.19557	1.0
278.66907	0.4
285.20721	0.4
303.21744	2.5
360.11688	0.4
405.24991	2.4
406.25394	0.4
410.47565	0.4
447.25803	2.8
465.26965	100.0
466.12500	0.6
466.27258	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	465.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	48.1
106.84328	37.3
119.05001	68.1
217.67563	47.0
279.34970	39.1
284.36057	37.8
330.37958	37.4
429.29999	100.0
452.37350	33.2
462.57053	37.8
472.21170	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75048	0.3
59.16368	0.3
61.98822	100.0
69.38505	2.1
69.38905	0.9
86.37955	0.4
98.19909	0.8
110.71104	0.3
145.40021	0.4
191.77994	0.3
223.63646	0.4
234.07692	0.5
466.11108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14806	0.2
59.01364	0.4
61.98823	100.0
73.66359	0.2
89.02442	0.2
99.80589	0.2
107.05049	0.3
111.00860	0.3
113.02464	0.3
130.47726	0.3
135.04498	0.4
137.02440	0.3
139.00381	0.2
149.46780	0.3
207.03046	0.3
220.98782	0.3
230.06549	0.2
448.81805	0.2
466.10706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.9
59.03476	0.3
61.98845	0.3
62.96392	0.6
70.38300	0.6
70.38657	0.5
78.95895	100.0
95.96167	3.9
96.96951	33.1
118.99458	0.3
122.00137	1.3
122.98513	1.6
137.06082	3.0
140.01180	5.6
205.05086	0.3
228.01680	0.3
286.04648	0.6
302.88049	0.3
328.05789	0.6
373.85535	0.2
434.10272	0.5
466.12628	28.4
467.12997	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	467.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81016	2.8
59.01372	20.2
61.98817	7.3
67.14764	2.3
70.77827	6.6
71.01363	12.5
74.50800	3.0
77.95537	2.9
85.02917	3.1
89.02453	14.4
96.96007	21.3
101.02432	13.2
101.03786	2.5
113.02428	4.0
119.03529	3.8
119.04994	5.5
135.56552	2.5
149.04514	4.6
266.38507	2.7
268.17380	2.6
285.31555	2.9
299.11356	4.9
431.15555	100.0
432.15778	8.2
467.12677	12.8
468.18893	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	467.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	22.6
60.28381	0.9
65.03972	1.5
65.36503	0.8
67.01887	20.1
68.99805	15.7
69.03450	9.5
69.32619	4.7
69.33033	3.2
81.03461	2.6
83.05019	5.8
85.02940	8.0
91.05526	1.4
93.03445	43.4
94.03831	1.1
95.01385	10.1
99.04533	5.3
101.02435	24.2
101.03078	1.6
107.05021	7.2
109.02974	1.2
111.00871	100.0
111.04504	37.3
112.01214	1.8
113.02451	11.4
119.05011	7.2
121.02914	5.0
122.39385	1.0
123.04525	2.7
125.02433	2.8
125.06063	1.8
127.03994	29.9
133.02954	1.0
135.04488	13.3
137.02428	14.3
137.06061	4.0
139.00356	49.1
140.00722	1.1
143.03445	2.4
149.02405	6.0
149.06075	0.9
151.03969	1.3
153.05551	11.7
155.03491	1.3
163.03999	9.3
165.01892	9.4
171.02969	3.5
179.03485	7.5
195.06618	2.9
197.04575	1.4
207.02971	2.8
239.05588	1.1
243.03839	0.8
247.05914	1.0
273.07660	44.9
274.07919	3.1
275.05579	50.3
276.05859	2.4
283.13092	1.0
287.09335	1.9
291.08847	1.8
299.09351	1.6
307.08182	77.9
308.08514	5.2
315.08694	30.7
316.09155	1.9
333.09781	7.3
343.08182	3.2
361.09213	3.5
398.42758	0.9
403.09833	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	467.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.8
59.01087	1.7
59.01373	24.3
65.03969	1.6
67.01880	16.5
68.99805	19.6
69.03447	9.7
69.31760	5.3
69.32165	2.5
79.47546	0.8
81.03468	2.4
83.05010	5.8
85.02934	9.7
91.05550	1.2
93.03445	42.7
94.03795	2.0
95.01360	9.4
99.04501	4.4
101.02428	22.7
107.05021	5.2
109.02914	1.7
111.00870	100.0
111.04506	45.5
111.05280	1.3
112.01182	1.6
113.02446	13.6
118.48567	1.0
119.05026	6.5
120.99598	0.8
121.02946	5.9
123.04518	2.0
123.76563	0.9
125.02457	3.7
125.06063	2.4
127.03292	0.6
127.03998	33.9
135.04509	11.8
137.02438	15.4
137.06081	3.4
139.00362	54.1
143.03467	2.6
149.02390	5.2
151.04021	1.2
153.02005	1.1
153.05551	11.4
155.03528	2.0
161.02443	1.1
163.03981	9.5
165.01912	10.7
171.02933	4.3
175.91487	0.8
179.03490	8.5
195.06577	2.3
197.04507	1.3
207.02936	3.4
229.05023	1.1
239.05547	1.8
247.06155	0.9
273.04074	6.9
273.07611	42.1
274.08038	3.2
275.05576	47.3
276.05939	2.3
281.00339	0.8
287.09149	2.3
291.08728	2.0
307.08173	70.8
308.08472	5.6
315.08691	27.2
316.09003	1.0
333.09726	5.7
343.08154	3.1
361.09280	4.2
364.72989	1.0
376.11075	1.0
380.83292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14905	0.4
59.01386	1.1
61.98824	100.0
63.76389	0.3
65.56940	0.3
67.81746	0.3
69.71451	2.1
69.71850	0.7
71.01382	0.8
75.27981	0.3
78.95901	2.8
80.41013	0.4
85.02929	0.4
87.00841	0.9
90.13876	0.3
96.96015	0.6
96.96986	1.0
100.10530	0.4
101.02441	0.5
111.08166	0.4
119.05024	0.5
135.04547	0.5
152.03526	0.8
161.02481	1.0
173.08179	0.5
179.03307	0.4
185.74797	0.4
276.36578	0.4
286.08795	0.4
437.12186	0.3
467.12564	0.7
467.18835	0.8
468.13510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.3
59.01375	6.0
61.98824	6.6
64.22910	0.8
70.32133	0.8
71.01371	6.1
71.61640	1.2
72.99300	7.4
75.00877	3.9
78.95887	1.7
83.01363	2.7
85.02948	0.9
87.00866	2.9
96.96011	8.0
98.95589	9.8
99.00883	4.4
100.00393	1.4
100.04045	1.2
101.02437	0.8
111.00846	2.7
112.98804	8.9
113.02322	1.0
113.99576	2.6
115.00352	4.6
117.01904	1.1
124.98769	1.1
126.99751	0.9
128.00478	0.8
135.02980	7.2
142.99841	17.1
144.02988	2.5
151.15623	0.9
156.00642	8.3
158.43759	0.8
161.02518	1.0
165.12831	1.1
173.00917	9.5
174.01671	100.0
175.02432	7.5
207.13904	0.8
227.06494	1.1
237.11166	2.1
277.21637	1.2
279.12317	1.1
293.18469	0.6
293.21237	13.6
294.21729	0.8
301.21686	1.3
305.21149	6.2
307.22711	1.4
319.22592	1.4
333.20572	1.5
337.60919	0.8
345.20746	4.7
349.20203	8.6
350.20236	1.1
363.21667	2.4
367.21130	1.0
371.23203	1.0
381.21402	3.3
389.19815	1.4
405.22827	1.1
407.20883	4.5
421.16467	0.9
423.22806	3.8
449.21371	4.8
467.22040	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	467.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37774	4.1
59.01369	19.3
61.98815	14.7
69.75150	19.4
71.01357	11.9
72.99283	22.1
75.00861	64.5
83.01363	5.4
85.02934	3.7
87.00876	10.1
89.02412	7.4
95.61371	4.4
96.95992	11.1
98.19936	6.1
98.95547	5.2
99.00862	18.4
111.00845	7.0
111.08118	6.9
112.98801	9.5
113.02419	5.8
115.00348	9.5
116.97175	3.9
117.01918	9.1
121.02957	6.6
126.74527	4.1
135.02972	100.0
135.04486	6.2
142.99820	16.0
145.06645	4.2
147.04416	9.8
156.00542	4.7
161.06026	9.5
165.12810	17.0
166.24521	4.0
173.00891	5.4
174.01674	59.0
175.02422	16.4
175.07538	5.8
176.08374	6.9
177.05524	4.7
202.09818	6.0
203.03439	4.8
277.21707	31.5
283.20700	7.3
287.20184	5.9
293.21118	17.4
299.20023	5.8
305.21136	41.0
309.19003	4.3
313.17966	7.0
315.19638	10.0
317.21082	10.1
321.20975	5.9
327.19601	9.6
331.19089	95.0
332.12692	5.5
332.19382	9.4
333.20554	12.7
343.19141	5.6
345.20654	67.7
346.21097	4.5
349.20172	36.4
359.18530	4.5
361.20029	12.4
368.20993	4.4
369.20496	18.3
371.18576	77.3
372.18692	4.8
383.18365	5.8
387.21674	12.0
389.19559	15.7
401.19656	17.1
407.21109	5.3
413.19617	37.3
431.20764	34.4
449.21817	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	467.3157
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
51.27576	0.2
61.98811	0.3
62.20449	0.2
69.62388	1.4
78.95883	1.5
79.57273	0.3
81.66714	0.3
97.06630	0.2
98.19863	0.5
126.81177	0.3
152.99557	1.4
158.87148	0.2
166.15648	0.2
207.64943	0.3
235.73730	0.2
255.23239	0.9
409.23383	0.3
421.31296	0.5
467.31592	100.0
468.31946	12.0
468.38712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.316
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
59.01376	0.4
60.72508	0.4
62.62451	0.4
71.62266	0.6
74.76043	0.4
89.05296	0.4
100.72794	0.4
103.68401	0.4
107.57033	0.4
112.86176	0.4
140.19421	0.4
183.13788	0.5
213.14934	1.1
241.86922	0.4
248.36996	0.4
248.64592	0.4
277.04721	0.4
287.20181	1.4
303.36609	0.4
318.90479	0.4
391.26437	5.1
392.26627	0.7
405.27783	2.5
407.29538	2.9
421.31064	72.0
422.31433	7.8
423.32584	2.7
467.31583	100.0
468.26151	0.4
468.31906	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	468.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41758	0.3
56.01696	0.4
59.01374	2.3
68.01408	1.1
69.49324	2.6
71.01370	0.9
78.64005	0.3
78.95896	0.6
79.95728	11.5
80.96507	11.2
89.02436	1.1
93.02198	0.9
96.96001	10.8
96.96951	0.5
98.95597	0.7
101.02431	0.4
106.98077	15.4
109.01682	1.1
113.02406	0.6
115.00367	0.4
119.03541	0.5
120.00906	0.8
122.02535	0.6
124.00729	5.0
124.04034	1.4
128.13516	0.4
130.08745	1.0
133.01445	0.6
137.01147	0.7
137.06136	0.6
138.05566	0.6
148.14650	0.3
152.03519	100.0
153.03868	2.9
161.02434	0.4
162.05553	0.7
164.07178	1.0
179.03603	0.4
179.05583	0.5
180.06641	0.9
185.08121	0.4
190.05162	0.4
206.12633	0.5
244.02812	43.2
244.37619	0.4
245.03233	1.7
249.11345	0.5
250.11501	1.3
270.04373	0.8
288.01822	6.9
288.05453	5.4
289.02292	0.5
289.05521	0.6
289.68033	0.4
306.06549	0.7
323.74985	0.4
352.17542	1.1
430.18002	0.9
436.10358	0.5
468.13232	19.9
469.13605	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	468.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35197	7.3
59.01098	6.9
59.01377	100.0
63.02258	6.2
70.47635	26.0
71.01364	23.6
71.57534	7.2
81.80904	6.8
98.45142	7.2
103.41881	7.4
108.02176	65.1
109.02995	55.3
110.03291	6.8
129.19772	6.8
137.06058	26.5
151.03966	12.6
156.99554	7.1
161.04494	10.3
163.90424	7.2
183.13774	7.4
205.03868	8.0
213.14929	95.9
214.15260	53.2
235.20604	7.5
243.85883	7.4
253.01929	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	468.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
61.98824	100.0
68.04035	0.3
69.07549	0.3
70.20071	0.3
70.83060	0.6
71.01380	1.0
72.04855	0.3
78.95942	0.6
89.02464	0.9
89.73846	0.3
96.96006	6.5
96.96958	0.5
101.02456	0.6
106.43970	0.3
114.74870	0.3
125.02429	0.4
137.02486	0.3
160.84171	0.3
161.02473	0.4
165.01932	0.6
179.03505	0.5
180.04362	0.5
190.63560	0.3
195.06613	1.0
214.69214	0.3
373.57343	0.3
408.22015	0.5
431.15491	0.7
432.16196	0.7
468.14243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10569	0.5
59.01397	0.6
61.98824	100.0
69.31619	0.5
152.99503	0.6
209.34505	0.5
467.31683	0.7
468.31989	8.0
469.33261	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	469.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	30.6
61.98829	5.2
69.77267	24.4
71.01376	33.5
72.99287	6.3
73.02934	4.0
84.50243	3.7
85.02943	6.2
89.02433	50.1
96.95989	11.4
97.02921	5.0
99.00870	8.4
113.02459	6.1
115.03998	5.2
124.01659	6.3
125.02422	32.3
131.03473	6.5
138.03137	4.1
139.03999	11.1
149.04504	10.3
188.05659	4.1
233.06653	25.2
263.53378	4.5
293.08752	92.7
294.09149	6.3
383.06403	4.1
409.10577	3.8
433.07883	7.2
433.13467	100.0
434.14087	6.8
434.78867	4.7
442.48480	4.0
452.78976	4.8
469.11008	72.6
470.11627	7.5
479.87393	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	469.171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05652	11.1
59.01376	100.0
60.99309	9.8
61.98829	65.9
67.01893	84.6
67.86921	9.2
68.99808	11.4
71.01383	49.8
71.61884	10.6
72.99313	9.2
73.02916	9.7
77.08454	9.4
78.95886	9.9
87.00861	9.9
88.98808	30.3
89.02433	27.0
93.03451	10.5
96.95993	47.8
96.96948	13.3
99.04508	43.4
101.02435	55.3
111.00861	26.3
113.02483	15.2
119.03468	15.8
119.04996	13.6
125.06140	12.6
127.03994	59.0
135.04489	17.8
137.02414	72.1
152.43242	10.0
161.02455	28.7
173.04579	12.2
178.39011	8.2
179.03435	19.8
201.16545	11.6
211.06216	15.4
216.09538	9.2
227.06717	12.2
243.08733	48.7
245.15350	25.4
289.14426	32.5
291.08798	44.8
433.81427	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	469.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07644	0.1
59.01369	3.0
61.98812	0.5
64.76138	0.1
69.50980	0.9
71.01365	0.6
72.99307	0.2
73.02923	0.2
77.03954	0.2
83.01376	0.2
85.02944	0.3
88.98792	0.2
89.02430	0.6
92.89552	0.1
92.90664	0.2
93.03472	0.2
96.95990	0.3
99.04541	0.2
101.02411	0.5
108.02152	0.2
113.02425	0.2
119.03475	0.4
119.05054	0.2
121.02940	100.0
122.03272	2.7
127.04025	0.2
143.02072	0.2
176.63882	0.1
201.16409	0.2
204.85103	0.1
222.67340	0.1
244.26917	0.2
245.15512	0.2
263.16504	2.1
264.17020	0.2
289.14563	0.2
291.08801	0.2
307.15491	2.4
347.16901	0.2
469.20871	0.6
486.57001	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	469.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70669	0.2
56.53480	0.2
59.01373	0.4
60.94934	0.2
60.99245	0.2
61.98817	0.8
63.88449	0.2
71.38248	0.2
73.02930	0.2
74.92850	0.2
75.00854	0.9
77.03937	0.2
88.98803	0.2
93.03465	0.4
121.02940	100.0
122.03284	2.7
137.67535	0.2
150.40012	0.2
179.29073	0.2
241.81058	0.2
347.17145	0.3
397.80020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87915	0.3
59.01368	3.2
61.98811	0.7
67.01923	0.3
71.01368	1.9
71.61737	0.5
73.02946	0.7
74.02450	0.5
78.11178	0.3
79.79619	0.3
82.02975	1.0
85.02968	0.7
93.03448	40.6
94.03793	1.0
99.00869	0.4
99.04541	0.4
99.05634	0.4
100.04002	0.4
101.02425	1.0
104.03512	1.9
108.04559	0.4
113.02419	0.5
126.05598	0.6
126.46045	0.3
127.03999	0.4
129.06696	1.3
135.04482	0.4
137.02428	100.0
138.02756	2.6
140.07228	0.7
141.12833	1.2
152.03552	0.5
161.02345	0.5
161.04495	0.6
169.12311	0.7
183.07744	0.8
187.13374	6.9
187.96266	0.4
195.07716	1.3
204.03238	0.5
213.08679	0.5
227.06650	0.5
257.07782	2.1
261.05423	0.5
291.06494	6.0
299.07703	8.1
469.33508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	14.8
61.98841	12.0
65.73745	6.9
69.34396	44.1
69.34821	22.9
71.01366	8.1
74.73878	8.4
74.92919	7.3
80.52026	7.0
85.02950	9.0
119.05024	10.4
121.02932	15.0
129.70230	7.4
134.34529	8.3
135.04477	10.7
161.02437	14.7
163.03989	14.7
191.51599	8.2
247.69772	7.5
263.91565	7.5
265.64044	7.5
469.22101	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	469.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	56.0
61.98818	10.9
66.92609	5.9
71.01384	42.2
73.02922	12.3
80.50708	5.9
81.75182	6.1
85.02931	10.6
89.02438	21.2
96.96010	27.8
98.95590	29.2
101.02469	15.9
112.94367	5.3
113.02417	17.6
119.03498	11.6
123.08091	6.5
127.07644	30.7
135.04514	73.3
141.09218	12.7
161.02412	15.4
171.06482	7.9
185.08145	6.5
186.08600	7.4
189.07652	9.8
315.10861	33.6
413.57458	6.2
433.24176	20.6
469.16962	100.0
469.22144	70.7
470.17245	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53828	12.6
191.55840	5.0
269.24847	100.0
270.24911	6.4
279.22791	6.3
282.98911	6.0
335.20532	7.3
469.29309	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	469.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94004	0.2
59.01376	0.2
65.74111	0.2
69.79485	0.2
70.76189	0.5
71.05015	0.3
74.77188	0.2
81.13646	0.2
110.75852	0.2
306.78030	0.2
389.28650	0.2
405.31552	0.9
407.33047	0.3
425.34296	0.7
451.32492	0.2
469.33151	100.0
470.33502	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	469.3316
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
60.48408	0.5
61.98808	0.7
71.62566	0.6
71.68864	0.4
77.97575	0.4
78.83425	0.4
78.95885	0.8
82.30281	0.4
98.23793	0.4
116.55910	0.4
120.19569	0.5
123.74535	0.4
152.99541	1.1
179.10861	0.5
187.01167	0.4
241.21672	1.5
255.23225	0.8
391.29825	0.6
393.31396	0.8
405.31512	1.2
437.30475	1.7
469.33157	100.0
470.33557	13.2
486.87827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
50.14494	0.3
52.57952	0.5
53.09617	0.3
55.01860	0.8
56.11012	0.3
57.67930	0.3
65.04803	0.3
69.03439	1.2
69.62302	0.4
69.88024	0.3
87.17792	0.3
112.87196	0.3
121.06568	0.4
131.29196	0.4
132.70055	0.3
149.09674	0.5
149.61908	0.4
336.45297	0.4
339.75992	0.4
369.27982	1.3
374.71387	0.4
379.25775	0.4
395.29837	0.4
405.31442	1.0
407.29208	1.7
409.31027	9.2
410.31290	0.9
421.31180	0.6
423.28278	0.4
423.32776	4.1
425.34186	46.4
426.34583	5.2
439.32004	0.5
469.33139	100.0
470.33453	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67866	0.3
61.90566	0.4
65.01013	0.3
66.76071	0.4
71.07362	0.5
71.07703	0.8
72.12758	0.4
93.06996	0.4
98.77386	0.3
119.67168	0.4
126.09914	0.3
289.21704	1.6
357.50256	0.4
393.27917	1.8
395.28894	0.5
407.29532	2.0
409.31161	2.4
423.32632	63.7
424.32986	6.2
425.34161	2.4
459.25986	0.4
469.33160	100.0
470.33459	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	469.3318
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.36155	0.1
57.07500	0.1
63.10704	0.1
63.87022	0.1
71.33276	0.2
121.77941	0.2
140.23926	0.2
148.60780	0.1
160.01596	0.2
160.62251	0.2
173.81398	0.2
175.03966	0.5
196.53534	0.2
255.23232	0.7
267.48187	0.2
423.32675	0.5
444.44894	0.2
469.33139	100.0
470.33493	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	469.3316
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
62.35745	0.2
69.35994	1.5
91.29259	0.2
98.19811	0.5
117.78610	0.2
172.10811	0.2
175.08336	0.2
191.65912	0.2
393.31818	0.5
413.15207	0.2
423.32614	0.5
469.33145	100.0
470.33490	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	469.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84908	0.4
63.75317	0.4
69.41975	3.3
82.67900	0.4
166.50040	0.5
277.21521	0.5
289.21652	1.8
292.00327	0.5
334.76593	0.4
339.68301	0.5
378.30936	0.4
393.27902	2.4
407.29453	1.9
409.31052	1.6
423.32614	58.5
424.32962	6.2
425.34250	1.8
437.30936	0.5
469.33127	100.0
470.33478	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	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07048	0.2
59.01355	0.3
61.98817	1.0
65.15460	0.2
66.99160	0.2
67.94083	0.2
71.09001	0.6
72.70366	0.2
78.95916	0.4
145.86658	0.2
152.99565	0.8
173.11818	0.3
198.92146	0.2
201.53014	0.2
241.21695	1.3
255.23232	1.0
342.47247	0.3
365.27423	0.3
423.32382	0.3
451.24362	0.5
469.33130	100.0
470.33490	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	470.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	0.2
59.01353	1.1
59.41653	0.2
61.07756	0.2
61.98824	100.0
71.01380	1.3
85.02970	0.3
89.02441	1.0
93.03488	0.3
93.99808	0.2
96.96012	1.6
100.57779	0.2
101.02447	0.8
112.01952	0.2
113.02447	0.3
113.23731	0.2
119.03483	0.3
125.02470	0.2
149.04688	0.4
151.07632	0.4
177.01909	0.5
229.18427	0.2
313.13092	0.8
357.12067	0.6
375.13010	0.3
377.14621	0.6
389.14374	1.2
407.15497	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65584	0.4
53.00346	0.4
53.53740	0.5
59.01367	0.6
59.96526	0.4
61.94587	0.5
61.98821	100.0
69.85265	2.4
98.20636	0.6
109.76152	0.5
115.92367	0.4
125.09718	0.7
153.30733	0.5
158.03227	0.4
187.09755	0.9
283.41077	0.5
301.46091	0.4
324.62482	0.5
358.38867	0.6
458.75400	0.5
470.33661	1.8
471.29529	1.1
471.34897	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	471.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19181	0.2
53.23467	0.2
57.37473	0.2
59.01369	2.9
61.98822	0.9
69.30742	2.3
71.01387	0.9
83.01395	0.3
83.46878	0.2
85.02938	0.3
89.02435	0.4
90.85799	0.3
93.03443	0.3
101.02403	0.4
110.47392	0.2
113.02421	0.6
117.03452	25.1
118.03796	1.1
119.05006	14.1
120.05367	0.4
121.02979	0.2
131.05019	0.4
132.05815	0.6
133.06561	1.4
145.02930	100.0
146.03250	3.7
159.04443	1.2
161.06055	3.4
163.03984	16.1
164.04294	0.7
177.05602	1.3
187.03983	5.0
205.05025	3.7
211.13449	0.3
229.05101	0.5
235.06056	2.7
247.06200	0.4
265.07101	4.3
266.07513	0.3
307.08179	14.2
308.08563	1.0
309.07745	0.4
325.09174	1.6
347.03046	0.3
351.08670	0.4
411.10837	1.9
416.13101	0.2
471.12817	10.8
471.34756	0.4
472.13364	1.0
473.90613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10601	0.7
59.01088	1.2
59.01372	16.6
71.01374	14.1
71.62228	0.8
71.62611	1.1
72.99294	0.8
73.02928	1.4
82.91429	0.7
83.01362	1.1
85.02943	3.1
87.00856	1.1
89.02440	10.2
96.96027	1.1
99.00964	0.7
101.02443	7.7
103.24902	0.6
103.76145	0.8
111.00958	0.7
113.02435	5.0
115.68932	0.8
117.03465	4.9
119.03484	4.9
119.04955	0.8
132.02191	1.7
133.02960	8.4
133.05051	2.8
134.03728	56.8
135.04553	6.1
136.01610	2.0
137.02411	0.8
147.04497	10.7
148.05290	6.5
149.06050	12.4
151.03975	2.3
153.05469	1.0
153.40364	0.8
158.03751	5.4
159.25468	0.7
160.01640	14.4
161.02390	5.6
161.04541	0.9
162.03148	1.6
162.06824	0.8
163.03978	1.7
163.07635	1.5
164.04741	1.3
173.06032	3.7
174.03181	1.8
175.02484	1.4
175.03990	24.1
176.04762	34.6
176.95181	1.4
177.01941	6.5
177.05261	2.8
178.02695	6.1
179.03424	0.8
179.07066	0.7
189.05580	1.1
191.07115	46.9
192.04292	5.5
192.07434	1.7
193.05034	63.2
194.05330	2.1
197.90909	0.7
202.02771	0.7
207.06612	18.6
208.07127	1.0
217.05025	1.1
220.03743	8.0
235.06088	80.8
236.06439	3.3
239.05287	0.7
247.06055	1.0
265.04562	1.3
265.07117	12.0
265.09723	1.0
266.07315	1.3
279.83694	0.8
295.10522	53.2
296.10843	1.8
355.10242	0.8
429.01410	0.7
441.28891	0.8
471.15002	100.0
472.15405	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	471.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82255	0.9
59.01373	15.9
71.01369	10.3
72.99283	1.4
73.02932	1.5
73.55853	1.2
85.02950	2.4
87.00861	1.0
89.02431	10.1
95.42121	0.9
98.20608	2.8
100.75130	0.9
101.02427	6.8
113.02440	4.9
117.03468	2.7
119.03486	2.7
119.05000	5.0
124.61098	1.1
130.08597	1.1
132.02179	2.1
133.02962	4.5
133.04974	1.7
134.03728	43.0
135.04453	3.8
136.01625	2.4
143.03513	1.1
145.02885	2.0
147.04509	6.0
148.05275	3.8
149.06075	6.9
151.03989	1.9
158.03691	2.8
160.01653	12.6
161.02438	4.9
163.03969	7.1
163.07645	1.4
173.04640	1.2
173.06055	2.7
174.03197	1.0
175.03963	17.1
176.04771	24.1
177.01912	5.3
177.05437	1.4
178.02678	3.9
179.03497	2.0
191.05437	2.2
191.07117	35.3
192.04254	2.7
192.07343	1.3
193.05037	46.3
194.05345	2.6
207.06575	14.2
220.03813	4.8
235.06091	61.4
236.06444	4.2
265.07129	9.2
271.38135	1.0
295.10513	39.4
296.10684	2.0
405.06302	1.1
471.15005	100.0
472.15253	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	471.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03469	0.8
58.00584	1.0
59.01371	38.2
61.98803	1.8
69.55425	2.3
69.55853	2.4
71.01376	24.5
72.99298	1.3
73.02929	3.0
79.21247	0.6
81.03420	1.1
83.01374	2.9
83.05006	3.8
85.02952	6.1
87.00865	1.2
89.02432	23.7
93.03456	9.4
95.01366	1.2
95.12374	0.6
96.95991	3.5
98.20518	1.3
99.00812	0.8
101.02428	16.3
102.18652	0.8
107.05011	0.9
109.02943	2.4
111.00860	2.8
111.04504	12.2
113.02447	10.9
117.34036	0.7
119.03493	10.5
123.04459	2.4
131.03474	0.9
134.03757	0.9
135.04509	49.9
136.04803	1.4
137.02423	9.9
143.03433	1.1
151.03961	4.0
153.05534	2.2
155.03474	3.0
159.37744	0.8
161.02417	1.7
161.04471	1.4
166.13313	0.7
173.04462	1.1
177.01860	1.2
178.96550	0.7
179.03464	9.5
179.05536	1.5
204.04277	0.8
205.08801	0.7
249.07594	1.0
279.14383	4.1
297.09744	5.3
315.10800	100.0
316.11121	4.9
320.29227	0.7
327.65225	0.7
381.11710	0.7
411.18695	6.7
435.12878	18.6
436.13452	2.3
445.32788	0.8
471.14890	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	471.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10932	0.6
54.76796	0.6
59.01374	100.0
61.98819	1.1
69.61764	3.5
71.01365	5.1
73.02938	6.3
80.55098	0.6
80.99229	0.6
83.01397	1.8
83.02309	0.6
83.42262	0.6
85.02919	0.8
89.02460	1.7
96.96042	1.9
101.02444	8.2
102.34965	0.6
104.76575	0.6
112.02631	0.6
113.02476	3.3
119.03478	1.6
131.03476	1.0
134.75995	0.8
137.09715	1.2
149.04568	1.7
161.04544	2.6
173.04591	1.0
211.13310	1.1
213.59445	0.7
221.06546	0.7
234.73238	0.7
471.34787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01372	100.0
60.01711	0.8
61.98819	5.6
62.89178	0.3
68.70639	0.4
71.01369	2.0
71.07149	0.9
73.02933	0.6
76.16971	0.4
85.02931	0.5
88.52141	0.4
99.30169	0.4
101.02454	0.7
113.02473	0.5
117.01749	0.4
117.03464	1.8
119.05025	6.0
143.03548	0.5
145.02933	7.9
163.03998	6.8
203.05579	0.9
207.13876	4.8
211.13377	0.5
225.42905	0.4
249.96692	0.5
307.08145	4.0
411.20163	0.7
471.13330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57022	0.2
57.03440	1.3
59.01372	100.0
60.01711	1.0
70.29334	0.7
71.01381	2.3
73.02942	0.4
85.02940	0.3
91.96796	0.2
94.71340	0.2
101.02455	0.7
116.13568	0.2
130.49474	0.2
161.04539	0.2
173.04512	0.3
192.11632	0.6
203.05598	2.0
205.26401	0.2
207.13855	6.7
207.15808	0.3
208.14244	0.4
220.06087	0.3
236.68831	0.2
315.73865	0.2
349.99753	0.2
394.51776	0.2
415.77899	0.2
422.69797	0.2
471.22763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57022	0.2
57.03440	1.3
59.01372	100.0
60.01711	1.0
70.29334	0.7
71.01381	2.3
73.02942	0.4
85.02940	0.3
91.96796	0.2
94.71340	0.2
101.02455	0.7
116.13568	0.2
130.49474	0.2
161.04539	0.2
173.04512	0.3
192.11632	0.6
203.05598	2.0
205.26401	0.2
207.13855	6.7
207.15808	0.3
208.14244	0.4
220.06087	0.3
236.68831	0.2
315.73865	0.2
349.99753	0.2
394.51776	0.2
415.77899	0.2
422.69797	0.2
471.22763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.7
57.10371	0.9
57.14510	0.9
58.00577	1.9
59.01372	66.0
60.12934	0.9
61.98513	1.6
61.98822	22.2
71.01375	32.6
71.31844	1.8
72.99282	1.9
73.02954	5.0
83.01375	1.4
85.02932	8.1
85.55355	0.9
87.00851	2.0
88.64186	0.8
89.02434	37.0
89.44350	0.8
93.03476	1.4
95.01380	2.4
99.04504	39.8
101.02428	18.7
111.04510	1.6
113.02441	13.2
119.03477	14.3
119.05005	1.1
121.02906	2.4
122.03282	1.2
131.03471	1.6
133.02928	1.6
135.04437	1.8
137.06065	2.6
143.03476	2.9
147.11775	2.5
149.04562	1.5
154.12195	1.0
161.02451	2.3
161.04517	3.2
163.13371	0.9
168.53792	0.9
173.04510	1.5
179.03445	0.9
179.05579	6.4
229.15959	1.2
247.09811	1.1
247.17000	31.0
248.17491	1.3
249.14987	0.9
291.15988	100.0
292.16360	7.2
309.16977	2.6
471.21982	25.1
471.34793	2.0
472.16327	1.6
472.22638	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	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.9
59.01373	40.6
59.98503	0.9
61.08893	0.9
61.98822	37.3
69.03456	0.8
69.55300	4.6
71.01381	4.1
72.99287	0.8
73.02925	2.4
75.00861	1.9
82.02993	0.9
83.01370	1.7
83.05016	1.7
84.04538	2.5
85.02931	2.4
89.02416	3.5
98.53600	0.7
99.04522	7.7
100.87672	0.9
101.02425	4.1
101.07195	9.9
104.05027	1.1
107.95402	0.8
113.02439	3.5
118.06660	1.0
119.03497	1.5
119.04988	1.3
121.02888	0.8
121.49589	0.7
125.02470	0.9
135.04482	1.1
137.06091	5.4
146.06128	5.3
148.03989	3.8
148.07655	2.9
161.04550	1.0
172.07690	0.9
178.08701	6.5
188.10765	3.2
190.05019	1.5
204.10213	0.9
205.15907	1.8
213.06757	0.8
215.08221	6.1
224.60904	0.8
231.11362	9.9
232.09673	1.4
247.16991	6.0
248.09241	1.7
249.14926	36.1
250.15198	1.7
263.13962	3.4
265.18192	1.1
275.10355	4.1
291.06540	1.1
291.15970	2.7
291.19336	1.8
307.12952	27.8
308.13248	2.4
309.17032	100.0
310.17361	7.2
351.17990	2.7
411.20062	1.0
427.18826	1.4
471.17014	14.8
471.22684	3.5
471.34982	1.9
472.16940	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	471.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16417	0.5
55.01862	1.1
57.03440	1.2
58.00583	1.9
59.01374	45.6
60.01697	0.5
61.98822	4.7
62.07920	0.5
64.53323	0.4
67.01873	2.7
68.11004	0.5
68.99805	2.4
69.03449	1.9
70.78051	1.2
71.01372	21.3
71.22304	0.5
72.96313	0.4
72.99310	2.4
73.02934	2.0
81.03432	0.5
83.01377	2.4
83.05022	0.7
85.02939	7.6
87.00852	1.1
89.02437	13.6
93.03444	9.0
95.01360	3.8
99.00886	0.5
99.04524	0.9
99.92566	1.3
101.02430	17.2
103.40443	0.4
107.04998	0.6
111.00873	16.9
111.04501	8.1
113.02441	8.6
119.03476	4.7
119.05018	1.4
119.08640	2.5
121.02940	1.1
125.02444	0.7
125.06084	0.7
125.09699	0.5
127.04016	5.6
135.04517	3.3
137.02417	6.0
137.06044	0.8
139.00369	9.8
143.03468	1.2
144.34816	0.4
149.02402	1.0
153.02058	0.4
153.05534	2.0
161.02438	0.6
163.03992	1.4
165.01892	1.8
171.03032	0.7
171.10275	4.2
173.04564	0.5
176.07178	1.0
179.03419	2.7
179.05591	0.7
207.02798	0.8
218.97746	0.8
229.19478	0.8
264.15927	0.5
269.86404	0.5
273.07635	7.1
273.18564	2.0
275.05591	7.2
291.08643	1.0
291.19653	2.2
307.08206	18.3
308.08524	1.2
309.20587	1.9
315.08655	7.4
333.09705	2.0
361.09433	0.7
435.12927	0.6
453.24759	1.2
471.25912	100.0
472.07080	1.7
472.26340	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	471.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58157	0.5
60.99192	0.5
70.11441	1.6
97.06392	4.0
97.07076	0.9
98.20582	0.4
111.01561	0.4
142.37361	0.3
165.16125	0.3
175.05780	0.4
189.65430	0.3
234.54134	0.4
375.26923	0.5
389.28430	1.7
391.30084	5.8
392.30383	0.8
403.29904	0.5
405.31509	6.1
406.31677	0.6
407.33118	12.1
408.33356	1.5
423.29068	0.8
437.30368	0.7
439.32098	1.5
441.33621	3.4
451.32050	13.7
452.32614	1.3
453.33664	64.1
454.33978	9.2
465.46249	0.4
469.33191	0.8
471.34738	100.0
472.35095	12.1
481.88574	0.4
497.33133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99170	4.7
60.99516	1.6
66.18874	0.8
68.13350	0.8
69.03307	9.1
69.03726	2.7
70.61948	1.7
71.04910	1.1
80.87726	0.9
95.06846	0.8
100.07677	0.7
126.00678	0.8
137.09544	1.3
149.09547	0.9
181.81412	0.8
271.29669	0.7
276.50577	0.7
296.70740	0.8
334.64465	1.0
375.26950	3.4
377.28418	2.7
391.29980	16.1
392.30402	1.2
393.31610	3.4
395.29553	1.1
405.31668	1.6
407.33121	100.0
408.33521	11.6
409.34650	25.0
410.34967	2.4
411.32794	2.2
412.32864	1.1
421.31226	1.1
423.32788	4.2
427.35739	11.8
428.36069	1.6
437.30249	1.0
441.33722	11.8
442.33890	1.2
453.33746	12.4
465.32919	0.9
471.34818	61.8
472.35333	6.8
485.32806	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	471.3471
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
60.99298	0.6
69.10325	0.3
71.05002	0.4
71.07574	0.6
83.05018	1.5
97.06569	0.4
152.03426	0.3
180.98308	0.4
249.84375	0.3
391.30035	1.1
399.32602	0.9
407.33194	8.8
408.33597	0.7
409.30646	1.6
411.32526	3.5
423.32648	0.8
425.34277	3.2
427.35724	3.2
445.84885	0.3
453.33554	0.7
471.34732	100.0
472.35056	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	471.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14856	0.3
69.34469	2.7
70.70653	0.3
97.06561	2.7
98.20653	0.8
108.04826	0.4
157.24216	0.4
165.02870	0.4
208.01056	0.4
263.90814	0.4
285.79785	0.4
304.07404	0.4
349.06512	0.4
374.26031	0.4
375.27304	0.5
389.28482	1.1
391.30042	3.3
392.30276	0.6
405.31570	2.7
405.45569	0.3
406.31967	0.6
407.33136	8.2
407.38275	0.7
408.33655	0.4
423.29169	1.3
427.34821	1.4
437.30087	0.6
439.32059	1.0
441.33542	1.5
451.32037	10.0
452.32486	1.0
453.33661	40.9
454.34009	4.5
469.33124	2.3
471.34692	100.0
472.35034	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	471.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44736	0.2
62.33553	0.2
63.25838	0.3
64.18033	0.2
65.21812	0.2
69.81310	0.2
70.46777	0.7
70.69981	0.2
71.05009	0.8
81.89214	0.2
91.30285	0.2
95.75057	0.3
100.93926	0.2
240.72971	0.3
393.31683	0.3
404.08069	0.3
405.31567	0.4
407.33368	0.4
411.32761	0.5
427.35843	0.3
453.33633	4.6
454.34094	0.6
458.39551	0.3
471.34729	100.0
472.35040	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	471.3472
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
67.23293	0.3
70.70081	0.6
70.70456	0.5
88.45723	0.3
104.72431	0.3
122.52578	0.3
155.89485	0.3
279.43170	0.3
393.31528	0.3
423.33026	0.3
471.34720	100.0
472.35080	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	471.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72190	0.3
59.01363	0.4
69.41328	2.1
70.20112	0.3
78.17840	0.3
84.67928	0.3
97.06570	0.3
320.30356	0.2
423.32526	0.8
425.30569	0.5
427.32083	2.6
428.32327	0.3
471.34805	100.0
472.20227	0.6
472.35114	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	471.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	0.3
63.68426	0.2
70.89996	0.4
70.90343	0.4
102.49485	0.2
135.11038	0.2
173.37236	0.2
209.99419	0.2
284.10080	0.2
333.70126	0.2
339.81235	0.3
377.28400	0.2
393.31375	0.5
423.32632	0.7
471.34732	100.0
472.35065	11.5
476.67148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Sumaresinol
Peak:m/z	Relative Intensity
53.27277	0.4
55.54766	0.5
57.03443	1.6
59.01387	1.5
61.13315	0.4
61.98823	0.6
63.70986	0.4
64.53911	0.4
71.05002	0.7
71.62288	0.7
116.77446	0.5
125.09743	0.7
130.50835	0.4
135.04520	0.8
139.73833	0.4
163.47675	0.5
164.83537	0.4
203.10907	0.5
308.18817	0.5
407.29742	0.6
425.34625	0.9
427.32462	0.8
453.29938	2.1
471.34937	100.0
472.20172	0.7
472.35425	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	471.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67526	0.2
56.77935	0.2
70.46445	0.6
70.46816	0.2
93.29594	0.2
99.12965	0.2
230.37401	0.2
391.65826	0.2
392.74588	0.2
407.33234	0.4
471.34705	100.0
472.35037	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	472.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98822	100.0
68.60262	0.2
78.26138	0.2
105.68715	0.2
164.04909	0.3
177.21213	0.2
186.48712	0.2
429.17242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80411	0.1
59.01371	2.1
61.98819	100.0
62.98526	0.2
66.35348	0.1
69.62134	0.9
71.36932	0.1
78.99786	0.2
86.91978	0.1
99.58016	0.1
100.45629	0.1
101.88373	0.1
113.60762	0.2
116.07175	0.2
119.34079	0.1
133.02859	0.2
137.06070	0.2
145.85188	0.2
160.52882	0.1
161.02463	0.3
166.81595	0.1
179.03513	0.2
188.28975	0.2
227.06766	0.2
247.09767	0.4
261.05621	0.4
297.52835	0.1
310.17328	0.3
315.10803	0.2
447.46255	0.1
471.67105	0.2
472.17456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98822	100.0
68.60262	0.2
78.26138	0.2
105.68715	0.2
164.04909	0.3
177.21213	0.2
186.48712	0.2
429.17242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.5
60.01688	0.2
61.98822	100.0
69.59561	1.2
70.85923	0.2
71.01383	0.4
83.53452	0.2
85.02910	0.2
85.49351	0.2
89.02461	0.4
96.95993	0.3
98.20573	0.6
99.41362	0.2
101.02434	0.3
105.43301	0.2
115.92116	0.3
121.02939	0.3
137.06056	0.7
156.12444	0.3
159.11784	0.4
173.04582	0.3
183.07721	0.3
198.37427	0.3
203.10785	0.7
221.60623	0.3
227.06709	0.8
247.09673	2.8
261.05386	1.3
291.08557	0.3
306.09433	0.2
387.35294	0.2
409.14987	0.3
428.17407	0.4
472.16470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89010	0.4
59.01370	2.2
61.98822	100.0
71.62608	0.5
111.00907	0.5
111.17635	0.4
135.04509	0.7
161.02452	1.0
163.03969	0.6
261.76099	0.5
272.72244	0.4
472.15659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23971	0.3
59.01368	2.4
61.98821	100.0
71.01390	0.5
74.74941	0.2
85.02936	0.3
89.02440	0.3
89.02943	0.3
90.13264	0.3
93.03442	0.3
98.19832	0.6
101.02427	0.4
111.00872	0.7
113.02437	0.4
114.57320	0.3
117.03459	0.5
119.05008	3.4
120.05328	1.5
133.03000	0.3
135.04529	0.5
139.00388	0.5
139.04016	0.4
145.02943	2.1
146.03322	1.1
161.02448	0.6
163.03998	2.1
164.04329	1.0
166.33014	0.3
275.09222	0.7
296.51871	0.3
307.08102	1.3
308.08594	1.4
308.15192	0.3
311.74881	0.3
472.13889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1605
Annotation	CHEBI:68270
Peak:m/z	Relative Intensity
57.81809	0.8
59.01373	100.0
60.01715	0.9
61.98826	26.3
71.01382	2.6
71.54438	0.8
71.54771	0.8
73.02947	0.7
84.04550	2.7
85.02949	2.2
89.02441	2.1
91.05555	0.7
93.03454	1.0
99.04530	2.3
100.04061	1.3
101.02471	1.1
102.05604	8.3
104.05074	1.2
104.47637	0.7
106.04266	1.9
111.04564	0.9
118.06673	0.9
119.05011	3.7
120.08138	0.9
130.06683	0.7
137.06067	58.1
138.06461	1.2
144.04535	1.0
144.08183	2.6
146.04854	0.8
146.06102	24.1
147.04482	3.2
148.04053	2.5
151.07552	0.7
157.05286	4.6
158.05940	1.0
172.07660	5.5
174.05618	2.9
176.07149	1.0
177.05510	0.8
178.08702	12.7
179.07149	2.8
179.09103	1.1
188.07153	1.4
188.10736	3.8
189.07979	1.2
190.05078	10.9
191.05441	1.0
204.10257	28.9
204.12129	1.5
205.05161	0.9
205.10600	1.4
214.08760	1.5
216.06613	1.2
218.08167	1.3
220.13283	1.1
222.07771	3.9
232.09750	4.9
246.11371	2.9
248.09282	4.4
248.17317	1.3
264.12311	2.3
276.08826	1.3
290.10324	4.3
291.16064	2.9
292.16281	6.5
308.11404	7.5
309.20816	1.4
310.10806	8.7
342.13477	2.4
396.14474	0.9
428.17056	33.5
429.17377	3.8
445.37369	0.8
472.16064	76.2
472.26862	2.0
473.16690	6.0
473.27380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.1
71.01366	2.7
71.60548	1.0
78.95895	20.6
79.95730	3.1
85.02945	1.7
85.12460	0.6
85.83778	0.7
89.02427	1.2
96.95995	100.0
96.96947	35.8
98.69850	0.6
101.02432	1.1
103.18130	0.7
111.06901	0.6
112.98784	1.1
113.02434	2.3
113.97620	0.7
129.53781	0.8
133.78717	0.6
160.86362	0.7
161.04590	1.0
191.05525	3.3
207.60602	0.7
218.78473	0.8
220.75104	0.8
239.61232	0.7
356.08804	0.7
367.43927	0.7
413.16537	1.0
417.59720	0.8
473.15152	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15403	0.4
59.01357	1.5
68.08681	0.4
69.59762	1.4
69.60186	1.9
71.01385	2.3
73.02937	0.6
78.95899	39.7
79.95738	3.4
81.10922	0.4
85.02941	1.1
89.02428	1.9
93.03452	0.7
96.95994	100.0
96.96941	71.8
97.67349	0.5
99.00833	0.6
101.02416	1.3
113.02413	1.3
130.58791	0.5
135.04472	1.4
161.02403	0.5
161.04471	0.7
177.05484	1.3
179.03481	1.3
180.20703	0.4
191.05568	2.0
202.59402	0.5
203.09810	0.5
253.78893	0.6
265.60062	0.5
281.12451	1.3
299.83023	0.5
311.07492	0.7
318.11102	0.6
321.16275	0.5
342.83368	0.5
375.13046	1.0
413.16513	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81151	4.4
59.01366	40.3
61.98825	88.7
67.01883	20.5
68.99814	15.5
69.03477	8.8
69.27924	41.1
69.96763	5.0
71.01361	5.7
83.05054	4.9
83.16587	4.2
85.02957	13.6
93.03443	24.3
95.01368	6.0
99.04556	5.8
101.02448	32.6
111.00867	74.5
111.04482	29.3
113.02429	12.0
123.04571	4.9
127.03986	32.0
128.54060	5.5
135.04459	12.0
137.02423	18.8
139.00359	44.5
149.02469	5.7
153.05569	11.5
163.03998	6.4
179.03436	12.2
195.06602	6.4
207.03030	5.8
219.47600	4.9
261.05350	6.1
273.07635	36.6
275.05716	30.5
291.08679	50.7
307.08188	100.0
308.08713	7.4
315.08554	30.5
316.08453	5.5
317.10159	18.5
333.09772	6.0
349.17465	4.9
356.87961	5.3
402.17230	5.1
413.21991	5.8
419.13248	5.3
447.10800	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	473.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.9
58.00544	0.7
59.01374	21.6
68.32668	0.7
69.03432	1.0
71.01378	11.9
73.02910	2.6
75.00865	14.2
79.01875	1.3
83.01386	1.2
85.02905	2.5
87.00851	3.2
89.01907	1.1
89.02435	18.8
91.05514	1.4
93.03452	8.6
94.27538	0.7
95.01376	1.0
96.95928	1.0
99.00868	4.5
101.02435	12.4
107.04974	0.7
109.02820	0.6
111.04453	0.9
113.02486	3.8
113.03112	0.9
117.03444	11.1
119.03485	3.6
119.04975	3.2
121.02891	0.8
121.19765	0.7
125.02343	1.0
131.03444	3.1
133.02931	3.4
133.06519	1.3
134.03677	2.1
135.04514	11.9
137.02431	6.2
145.02898	2.1
145.06593	0.9
147.04427	1.4
149.04482	10.0
149.05867	1.7
150.03185	0.7
151.03911	1.0
159.04436	1.2
161.02431	13.8
161.04472	1.8
161.05948	1.4
162.02913	1.1
163.03984	3.6
173.04553	7.4
173.05954	1.6
175.03984	3.4
177.01877	1.8
177.05521	4.7
179.02168	0.8
179.03479	6.9
179.07069	1.6
189.01791	2.1
189.05510	1.1
191.03394	2.8
191.05476	2.9
193.05054	1.8
194.19127	0.9
197.06035	1.2
203.03456	1.6
205.04878	1.4
217.11742	0.7
221.04420	2.5
221.06381	0.9
225.05467	0.8
229.56717	1.2
233.04643	1.1
235.05988	0.7
237.05367	0.9
238.06195	1.4
251.07335	0.9
253.08585	2.3
267.06378	1.3
268.07379	0.9
281.04373	1.3
282.05222	3.0
283.06030	1.7
285.62344	0.7
295.05975	4.7
296.06689	2.9
297.07657	40.1
298.07870	2.6
307.05936	3.4
309.07312	1.5
311.05661	2.4
311.09726	25.8
312.10141	0.9
323.05295	3.7
324.06293	1.1
325.07114	18.0
326.07175	2.2
328.05756	3.5
330.96176	0.7
332.49747	0.9
335.05475	2.3
335.09363	0.7
337.06860	2.0
341.08701	1.0
351.04822	1.6
353.06665	87.4
353.10770	11.2
354.07050	5.7
356.05551	0.8
365.06625	5.7
383.03119	1.0
383.07626	17.0
384.07703	1.2
389.60931	0.8
395.07492	1.9
435.59964	0.9
455.09482	1.2
473.10950	100.0
474.11237	9.0
476.65784	0.8
499.53598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24232	0.9
57.11482	1.0
58.60868	1.1
59.01374	12.7
69.88324	0.8
69.95894	4.8
71.01369	9.6
73.02929	6.3
75.00874	2.5
85.02945	1.5
87.00876	2.9
89.02432	11.3
92.10353	1.0
92.39267	0.9
96.95950	1.2
99.00870	9.7
101.02412	6.2
103.46807	0.9
107.05012	1.5
113.02422	1.4
117.03502	1.8
117.29153	0.9
119.03555	1.3
119.05015	2.3
125.02464	1.2
131.03464	2.1
132.02150	0.8
133.02939	15.2
134.03726	4.8
135.04510	100.0
136.04831	4.4
137.02423	1.2
145.02931	2.2
147.04494	1.5
149.06050	1.6
161.02425	70.4
161.06084	1.6
162.02791	3.2
163.04002	2.3
165.05551	1.6
177.05536	3.4
179.03474	88.0
180.03812	3.8
189.50803	0.8
191.05513	1.2
207.06575	3.6
221.04576	1.6
251.05557	20.7
252.05989	0.9
293.06757	1.0
311.07419	33.9
312.08011	2.1
327.09299	2.4
341.08755	1.4
353.08795	48.5
354.09003	4.3
383.09805	32.3
384.10175	2.6
402.08087	1.2
413.10840	35.1
414.11319	3.5
473.12820	17.5
474.13092	1.9
487.28543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
58.32885	0.9
59.01372	25.6
71.01373	15.9
72.99303	1.2
73.02915	2.7
74.31858	0.7
75.00460	1.3
75.00862	22.7
79.01869	1.3
83.01376	1.0
85.02915	3.4
87.00855	4.5
89.02430	17.6
93.03458	8.2
95.01382	1.5
96.95996	0.9
99.00814	2.6
101.02439	9.2
113.02432	5.6
117.02876	0.7
117.03463	7.8
119.03514	5.4
119.04986	2.3
120.18081	1.0
121.02934	1.4
131.03435	2.8
133.02931	4.2
133.06537	1.4
134.03688	2.2
135.04520	13.9
137.02414	6.8
145.02835	1.4
147.04478	1.8
149.02391	1.3
149.04472	7.2
149.06015	2.8
159.04509	1.6
161.02448	23.4
161.04407	1.4
161.05951	1.2
163.03978	4.2
165.05475	0.8
173.04590	6.5
173.05899	1.8
175.03879	2.9
176.04677	1.5
177.05565	4.3
179.03506	9.4
179.07021	2.3
179.09622	0.9
180.58203	0.9
189.01845	2.0
191.03500	2.1
191.05476	2.3
191.07057	1.3
193.04984	2.5
197.06027	1.4
199.21561	0.9
203.03496	1.6
205.04938	1.0
221.04398	2.5
224.08350	1.0
245.04466	1.0
251.05455	1.3
253.08659	1.2
281.06580	2.4
282.05203	3.9
283.05762	1.6
295.05942	4.8
296.06604	2.3
297.07654	38.5
298.07898	1.8
307.05994	2.4
309.07532	2.3
311.09811	37.3
312.10089	1.4
323.05408	3.4
325.07104	16.5
326.07309	1.4
328.05658	3.3
335.05484	2.4
337.07129	1.4
344.99713	1.0
351.05231	1.9
353.06665	77.1
353.10773	10.8
354.07114	6.5
365.06415	3.9
383.07654	15.4
384.07861	1.5
397.10883	2.1
423.94415	0.9
473.11209	100.0
474.11356	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	473.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53138	0.5
53.67513	0.5
59.01367	4.8
70.79241	0.5
70.91972	1.2
71.01367	2.8
75.00874	1.1
78.95925	0.5
79.95726	0.6
83.01374	1.1
85.02930	1.3
87.00876	0.7
89.02440	1.8
93.03445	2.3
96.96002	39.0
99.00854	1.3
101.02425	1.4
108.02143	1.1
109.02941	16.2
111.00872	9.1
121.02964	2.0
121.06606	1.1
123.04478	1.3
131.05016	1.1
133.02965	1.5
133.06581	0.7
134.03723	1.3
135.04510	21.0
137.02434	4.5
137.06070	2.0
139.04013	1.5
143.04990	0.8
145.02919	0.7
147.04488	3.6
148.05246	1.6
149.02452	2.1
149.06062	16.3
149.07214	1.0
151.03990	1.3
151.07629	1.5
159.04485	4.2
161.02449	4.2
161.04826	0.6
161.06007	3.7
162.03191	5.6
163.03978	6.0
164.04779	2.5
165.02032	0.5
165.05554	4.7
168.88045	0.6
171.04486	1.7
173.06140	0.6
174.03236	1.2
175.03999	2.9
176.04881	0.7
177.05547	82.6
178.05919	2.6
179.03477	5.6
181.05067	1.3
187.03918	0.6
189.05551	22.9
190.02710	2.0
190.05894	1.0
191.03609	1.2
191.05579	9.2
191.07286	0.7
193.05058	1.0
195.06531	0.8
201.01633	0.6
201.05521	2.2
203.03499	2.2
207.06628	5.3
219.03043	1.0
219.06625	1.6
221.04518	47.7
222.04845	1.5
231.06575	2.3
239.05629	1.9
249.07570	4.4
251.05655	1.4
267.08701	7.9
293.06711	1.0
311.00412	2.2
311.07684	100.0
312.07968	5.9
315.43677	0.6
351.10892	1.9
353.08691	2.2
375.07159	1.1
375.13010	1.6
383.09787	4.8
387.62399	0.6
395.09760	0.7
413.10861	1.7
473.03143	0.9
473.12918	19.7
474.13156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
58.00591	0.4
59.01371	21.5
61.98825	1.5
65.45500	0.4
70.22431	1.9
71.01378	13.7
72.99294	0.9
73.02933	4.8
83.01398	0.7
85.02497	0.5
85.02929	2.9
87.00869	0.8
89.02430	9.1
93.03450	1.5
95.01397	0.6
97.02946	0.6
98.19910	0.5
99.00863	9.9
101.02433	6.4
105.03446	0.5
107.05005	1.6
109.02908	0.7
113.02443	3.9
117.03468	1.5
119.03468	1.7
119.05008	1.0
125.02404	1.8
131.03442	1.2
132.02138	0.6
133.02934	16.7
134.03795	4.6
135.04506	100.0
135.98296	0.5
136.04829	3.1
137.02399	1.2
137.97211	0.5
143.03497	0.5
148.05238	0.8
149.02383	0.5
149.06052	1.5
152.07138	0.9
159.02966	0.7
161.02417	66.2
161.04565	3.2
162.02763	1.9
173.04431	0.8
174.01636	0.5
176.07143	1.2
177.05527	1.5
177.12894	0.5
179.03471	80.9
180.03830	2.2
191.05644	2.8
195.08119	0.5
203.03403	0.5
204.06615	0.4
207.06593	4.8
208.09779	2.4
211.07594	0.7
221.04388	0.9
223.11166	0.6
227.07076	1.4
228.07367	0.6
251.05565	18.4
251.16451	0.6
251.37398	0.4
262.44986	0.4
293.06656	1.6
311.07669	35.3
312.08057	2.2
315.10785	0.7
316.42932	0.5
344.93304	0.5
353.08713	50.9
354.09119	4.0
383.09747	31.0
384.09937	2.3
413.10797	34.1
413.21689	7.8
414.11157	2.4
443.12357	1.2
472.64890	0.7
473.15811	4.3
474.16708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
71.01362	0.3
72.35055	0.1
75.00838	0.4
75.46895	0.1
79.95731	2.5
84.78309	0.2
85.02929	0.2
89.02447	0.3
93.03419	0.2
96.96001	100.0
97.95932	0.2
98.15738	0.1
98.20629	0.4
99.04507	0.5
102.73656	0.1
119.03512	0.2
119.05040	0.3
133.02927	0.2
135.04518	0.4
144.21983	0.2
145.84180	0.1
151.04012	0.2
161.02446	0.8
179.03499	0.5
191.05576	1.9
221.04546	0.4
251.10022	0.2
311.00488	0.6
311.09793	0.5
353.06604	0.2
375.16605	0.4
386.90170	0.2
397.05008	0.1
421.12491	0.2
471.45859	0.2
473.03961	0.3
473.12695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24321	0.2
59.01372	40.8
61.98825	0.7
69.57533	1.7
69.85860	0.2
71.01380	3.2
73.02952	0.7
85.02961	0.8
86.43246	0.2
87.00868	0.3
89.02428	3.3
95.01395	0.2
99.00893	0.2
101.02424	1.7
113.02431	1.4
117.03436	0.3
119.03493	0.7
125.02429	1.0
129.58321	0.2
131.03484	1.0
133.02942	1.7
134.03719	0.4
135.04512	2.4
137.02437	1.1
149.04536	0.9
149.06087	0.5
161.02429	4.1
161.04544	0.6
162.02885	0.3
163.03986	1.8
164.04767	100.0
165.05109	4.1
179.03879	1.8
179.07106	91.3
179.85614	0.3
180.07433	2.9
191.05598	0.8
214.63673	0.3
221.70157	0.3
233.06670	0.3
293.08676	1.9
295.11588	0.3
322.11102	0.3
323.07968	0.5
337.09140	0.3
364.01022	0.2
389.14066	0.3
413.21838	1.2
473.16858	5.9
473.64090	0.5
474.16824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01732	0.8
58.63433	0.9
59.01373	100.0
60.01698	1.3
61.98815	4.2
64.77370	0.9
67.69219	0.9
69.28197	7.9
71.01369	2.5
73.02920	1.6
85.02944	1.3
96.76246	0.9
96.96011	1.2
101.02406	1.5
101.94128	0.8
111.00906	1.7
113.02409	1.5
127.70654	1.2
133.75179	0.9
137.06044	1.0
161.02354	0.9
164.71693	1.1
179.03339	1.0
291.08444	1.1
314.59158	0.9
437.23419	1.8
473.22244	6.6
473.27054	7.3
492.63354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47585	0.3
57.03458	0.4
59.01372	100.0
59.70257	0.4
60.01718	0.8
61.98824	1.3
69.69998	1.9
71.01387	1.3
73.02950	0.5
78.95905	0.4
85.02983	0.5
89.02450	1.0
91.17690	0.3
96.96000	0.7
101.02418	1.7
113.02441	0.7
135.04512	0.5
161.02452	0.5
171.10242	0.5
192.60890	0.4
209.11848	0.6
237.55640	0.3
239.95728	0.4
291.08661	0.5
293.17801	0.5
311.18985	0.4
311.22281	0.6
371.20929	0.8
413.21451	0.5
473.27692	4.7
474.28149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	93.3
60.01705	0.5
60.23050	0.4
61.98827	5.0
63.91244	0.4
71.01373	7.5
72.42306	0.4
72.99320	1.0
73.02947	1.9
83.01379	0.5
85.02930	2.4
87.00869	0.9
89.02435	5.9
93.03465	1.4
99.00861	1.2
101.02422	4.2
107.05007	0.7
109.02985	0.7
111.00917	0.6
111.04413	0.5
113.02434	3.6
117.03461	1.4
119.03493	1.5
119.05014	1.5
120.99651	0.7
121.02966	0.6
123.04492	0.8
125.02464	1.3
131.03517	1.1
132.02158	1.0
133.01431	0.8
133.02934	7.4
134.03716	1.6
135.04514	15.4
137.02428	1.5
143.03441	0.5
145.02890	0.6
149.02475	0.6
149.04587	1.1
149.06055	3.1
150.03139	0.5
160.01645	1.5
161.02429	21.5
161.04385	2.0
162.02800	1.4
163.03983	2.5
164.04768	100.0
165.05084	3.6
167.39223	0.5
173.04543	1.2
173.06058	0.4
175.03993	1.9
176.04723	0.4
177.05580	0.9
179.03641	6.7
179.07106	87.5
180.07468	3.6
191.05714	1.2
251.05495	1.0
293.08636	1.7
311.07718	1.9
323.07629	1.4
337.09344	2.2
353.08737	2.5
383.09738	1.4
389.13812	1.8
392.12387	1.0
413.10800	1.4
413.21848	4.0
443.12463	1.0
461.16858	0.5
473.15640	9.1
473.63724	3.1
474.16919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03432	2.3
58.00570	1.3
59.01372	83.7
61.98825	12.4
62.28254	0.9
65.16650	0.8
67.01871	0.9
69.03474	0.9
71.01376	19.6
71.61177	1.0
72.99313	1.6
73.02943	5.2
81.58439	0.8
83.01379	3.0
85.02933	5.6
85.10538	0.9
87.00864	1.6
87.04501	1.2
87.18314	0.7
89.02424	12.0
95.04001	0.8
96.96061	0.8
97.02940	1.0
101.02428	19.1
113.02433	3.6
115.04004	1.0
119.03500	2.1
119.05011	1.0
125.09689	1.4
130.08736	1.2
131.03532	0.8
135.04474	1.5
137.06056	1.2
137.58565	0.8
138.05606	1.2
139.11205	1.2
140.49524	0.8
141.61671	1.0
149.04607	0.8
151.11313	1.1
161.02434	1.7
163.06133	3.6
165.12793	0.9
171.10260	4.6
174.09160	1.5
179.03465	1.7
179.07132	2.7
180.10217	4.3
181.07155	22.2
192.78259	0.8
197.11807	3.2
201.11368	0.9
203.10629	0.9
206.11887	3.2
211.13394	6.1
250.10876	3.9
291.19611	21.2
292.20068	0.9
293.21191	5.2
309.20633	9.1
310.11124	1.3
311.22168	3.9
312.22858	0.8
349.75598	0.8
413.11984	1.0
433.53928	0.9
441.20691	0.9
473.27454	100.0
474.27695	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	473.363
Annotation	Myrrhanol B
Peak:m/z	Relative Intensity
59.01350	0.2
60.99303	4.0
67.46668	0.1
71.62665	0.2
77.17422	0.1
79.18655	0.1
80.02676	0.3
80.72970	0.1
127.48257	0.1
137.09680	0.2
142.79951	0.1
144.81665	0.1
146.27136	0.1
149.09645	0.1
177.46054	0.1
184.25162	0.1
185.78648	0.1
210.68436	0.1
237.21754	0.1
277.21548	0.2
339.26654	0.2
355.22452	0.1
355.26276	0.7
357.27939	0.3
363.26950	0.2
379.30115	0.2
393.31708	0.1
409.34692	10.7
410.35071	1.3
427.35760	0.7
428.35788	0.1
473.36279	100.0
474.36646	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	473.3629
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
51.37225	0.2
52.24756	0.2
57.03431	0.4
59.01360	0.7
66.03829	0.2
67.14791	0.2
70.52026	0.4
71.05007	1.7
109.06570	0.2
145.02980	0.2
243.26180	0.2
254.88872	0.2
409.34332	1.1
411.32510	0.8
413.34180	5.0
414.34518	0.7
429.37448	0.3
438.49417	0.2
440.74866	0.2
441.09039	0.2
455.34781	0.3
473.36252	100.0
474.36603	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	473.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.7
60.51966	0.6
61.98788	0.8
79.12492	0.5
83.05020	0.7
88.31839	0.6
94.86216	0.6
97.06587	0.7
123.08099	0.6
127.64661	0.5
152.08391	1.3
261.91797	0.6
274.75641	0.5
304.03387	0.5
304.29129	0.7
320.43237	0.7
345.27795	0.8
399.32748	0.6
411.32819	0.9
413.30630	1.2
423.32645	3.0
425.34241	1.8
427.35846	1.0
429.33096	2.9
432.56641	0.6
443.34900	0.7
455.31723	2.4
469.33475	1.1
473.36646	100.0
474.36978	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	474.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17098	0.7
59.01374	61.4
61.98817	1.8
66.03458	1.1
70.46646	2.1
70.47009	1.6
71.01378	5.5
73.08426	0.7
75.00869	3.1
78.95901	0.8
81.03432	1.3
85.02947	1.4
89.02424	5.6
93.03434	1.1
101.02441	2.7
103.05509	1.2
106.04227	3.4
107.05048	2.2
113.02422	1.3
116.05015	1.0
118.06600	0.9
119.03497	2.2
119.05026	5.3
121.02934	1.6
132.70958	0.9
133.06606	2.1
135.04498	1.2
137.06067	58.9
144.04530	3.2
145.05310	6.5
146.06100	4.7
147.04535	1.4
148.04028	5.9
149.06061	1.6
158.06090	1.7
158.09746	2.4
159.08127	3.1
161.02477	1.1
162.06918	1.0
163.07632	3.4
165.09171	1.1
169.12596	0.9
176.07195	2.4
177.05482	1.1
178.08693	1.3
179.05669	1.2
179.07130	2.3
180.10304	2.3
184.07693	1.8
186.09222	15.3
187.09677	1.0
188.07195	1.3
190.08792	1.2
202.26591	0.9
206.10005	4.2
206.11742	1.4
212.07156	1.3
216.06834	0.9
218.08211	1.0
218.11832	6.2
230.08234	1.4
234.09558	38.2
235.09874	2.0
236.07497	1.6
244.09700	8.3
250.05144	2.0
260.07617	1.2
262.10907	5.1
266.12146	19.3
269.15405	1.8
278.08475	4.3
292.10098	45.6
293.10471	2.7
295.22769	10.0
306.09720	1.2
309.20825	2.1
310.07587	3.5
310.11133	100.0
311.11374	5.1
313.04208	1.0
313.14279	1.3
430.17004	1.0
474.15866	77.4
475.16107	8.1
475.28741	1.0
482.61539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41251	1.6
58.02954	4.6
58.05895	1.8
59.01371	27.1
61.98825	100.0
66.15963	1.5
69.44841	3.3
69.45261	10.1
70.49077	1.6
71.01362	6.4
73.02915	1.8
74.02458	4.3
85.02901	2.3
89.02419	2.9
96.04513	2.9
96.96007	3.4
97.04076	2.4
98.19872	2.5
99.05656	2.3
100.00405	1.9
101.02425	2.9
101.95485	1.5
108.04531	2.6
112.04021	4.6
112.07666	4.2
113.02431	2.2
113.03579	2.0
115.00365	1.8
115.95509	1.6
120.08137	1.9
122.06115	2.0
124.04007	2.3
125.04742	1.9
127.05098	4.2
134.68687	1.4
135.04541	2.1
137.06033	2.6
137.07133	2.8
140.07135	4.5
148.07704	2.0
152.03513	2.8
155.08240	10.9
161.02396	2.8
161.13264	4.5
165.06625	5.3
178.08717	2.5
179.03484	3.9
183.07776	9.5
187.11330	1.8
205.12289	15.7
213.14905	1.9
227.06700	30.2
247.13474	2.5
249.11279	80.9
250.11613	4.3
261.05353	2.6
262.05753	2.4
288.29391	1.6
291.38678	1.9
310.12915	3.0
311.09775	1.9
317.62064	2.0
411.16678	8.9
434.28604	1.5
474.18439	2.9
474.24811	2.6
475.21106	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90322	0.1
59.01370	1.2
61.98823	100.0
69.53434	1.1
71.01369	0.2
73.97626	0.2
78.09610	0.1
80.16938	0.1
82.51251	0.2
91.70641	0.1
98.20589	0.3
103.64316	0.2
115.00333	0.2
137.06140	0.2
202.19432	0.1
205.12387	0.4
249.11298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1765
Annotation	Fumiquinazoline E
Peak:m/z	Relative Intensity
55.70502	0.8
59.01370	14.7
60.99286	1.1
61.98822	3.3
62.09286	1.0
68.19028	0.9
69.96767	1.7
69.97182	3.4
70.02965	2.2
71.01378	3.3
72.99294	1.2
74.72684	0.9
85.02923	1.3
88.98809	1.1
89.02403	1.3
93.03482	1.0
97.02965	1.2
101.02444	2.0
105.01904	1.7
113.02403	2.4
114.01948	4.3
116.05043	1.9
118.06595	2.4
119.03521	1.1
123.04506	1.7
130.06625	2.1
133.02930	2.6
135.04501	5.1
137.06068	3.2
137.21376	1.1
138.05592	14.2
144.04536	8.3
145.02939	3.4
146.06084	1.1
150.05612	1.6
151.03983	1.9
152.01157	1.1
153.05519	3.2
156.08197	1.4
157.05305	1.0
158.06055	4.3
160.04054	1.4
160.07666	2.9
161.02422	7.7
161.04594	1.4
163.03993	1.2
164.07175	7.2
166.58784	0.9
167.03465	1.7
173.04497	1.1
174.03177	3.2
174.05603	1.4
175.02715	5.7
176.07147	25.7
177.07425	1.1
179.03471	3.3
179.07083	2.0
184.07695	7.4
186.01910	1.0
188.03505	9.1
189.09073	1.0
190.05048	1.3
190.08702	10.9
192.06631	2.0
201.04259	9.1
202.05090	4.9
202.08723	1.6
203.05771	2.9
204.02995	3.7
204.06584	3.6
208.09752	12.0
216.10271	11.2
220.06114	100.0
221.06450	4.6
228.06595	4.2
234.07680	31.9
234.11253	2.2
235.08076	1.5
248.12834	4.3
260.09235	33.4
261.09579	2.2
266.10287	22.5
266.13391	1.8
267.10684	1.5
278.06549	2.3
292.11865	49.5
293.12238	3.1
304.08206	2.1
307.08359	1.5
311.80267	1.1
372.14429	8.0
386.15903	3.0
392.61292	3.5
393.11398	2.6
412.17545	3.7
415.23456	1.6
430.18842	3.1
474.17462	5.7
475.17590	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	474.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
69.02201	0.7
70.61512	2.5
75.31773	0.8
76.66338	1.0
82.26376	0.8
108.02194	1.2
122.02454	1.8
123.03229	3.1
123.04496	5.3
124.04015	2.6
130.08727	16.1
131.03709	1.4
137.04840	1.7
137.06033	4.9
138.05589	27.4
146.09700	1.7
165.07887	1.7
169.03784	1.5
174.09187	9.9
176.10728	3.6
179.07115	51.3
180.10268	76.6
181.10623	2.7
195.10985	0.9
206.11819	43.1
207.12151	2.0
216.13872	2.6
222.14989	1.1
234.14828	0.9
248.16466	1.7
250.10796	56.8
251.11107	2.9
266.17480	1.1
271.54486	0.8
272.96796	0.8
274.14417	1.5
292.15543	6.5
310.16522	1.5
474.21173	10.2
474.27539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16517	0.4
59.01374	3.8
61.98809	0.8
71.01361	0.7
71.05023	0.7
71.62448	0.7
78.95896	8.8
97.06613	0.7
140.01160	2.4
141.36784	0.4
152.99556	1.4
155.87686	0.4
160.67445	0.4
162.27895	0.4
171.00668	0.9
196.03725	0.9
205.15990	1.1
214.04855	3.9
223.17021	1.0
250.18846	0.6
253.18034	0.7
258.85620	0.5
261.18344	0.5
262.18707	0.5
266.18213	0.6
277.21683	100.0
278.22006	7.1
336.30646	0.4
350.24091	1.2
389.17249	0.5
411.32986	0.8
412.32947	1.7
421.30740	0.5
430.34003	0.5
431.35309	0.8
442.30154	0.6
456.31598	2.2
456.36151	1.6
457.33337	0.7
472.34622	1.8
473.36462	5.4
474.26147	11.7
474.36526	41.9
475.33939	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	474.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.2
62.53985	0.4
71.04709	0.4
71.37489	0.8
78.95896	26.9
85.22150	0.4
89.14421	0.4
93.11671	0.4
95.22733	0.4
96.96939	0.5
108.04636	0.4
112.43010	0.4
122.00137	0.9
140.01169	6.3
143.98708	0.4
152.99568	2.9
171.00641	1.2
178.13051	0.4
196.03775	12.9
214.04837	3.2
233.22729	0.6
277.21680	100.0
278.22049	7.0
295.53754	0.4
401.06601	0.4
401.94305	0.4
474.26184	39.8
475.26523	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	475.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96520	1.0
59.01381	5.3
60.99302	15.6
71.01379	2.6
71.60777	1.1
73.02929	1.4
74.67355	0.9
83.04982	0.9
88.98798	100.0
89.02448	1.5
96.95992	1.2
101.02428	2.2
109.02940	1.2
119.05004	1.8
139.68510	0.9
148.46896	1.1
159.95190	0.9
191.05563	1.6
281.10303	4.3
341.12283	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38580	0.2
53.40088	0.2
59.01376	6.9
60.99300	0.7
62.10372	0.2
69.35386	2.4
71.01378	1.2
73.02943	0.3
79.95741	1.9
81.68947	0.3
85.02937	0.6
87.00877	0.3
88.42744	0.3
88.98801	6.9
89.02432	1.0
96.96002	100.0
97.95917	0.3
101.02439	1.0
113.02443	0.9
114.93380	0.4
117.05558	0.4
119.03571	0.2
141.75429	0.3
153.05597	0.3
153.09209	1.3
161.04543	0.6
169.08749	0.3
197.08160	2.0
203.01987	0.3
259.44012	0.3
377.14478	1.0
415.16119	0.3
415.23325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24183	0.5
57.03443	0.9
59.01373	39.1
60.01737	0.5
61.98824	18.6
61.99148	1.1
69.03449	0.7
69.24055	5.6
69.24395	0.6
71.01370	14.0
72.99292	1.0
73.02944	4.1
75.00860	1.0
83.01384	1.5
85.02945	23.3
86.03299	0.6
87.00891	1.8
89.02435	9.3
93.03448	0.9
95.01380	0.9
95.05054	0.6
98.19831	1.2
99.00881	2.3
101.02432	9.8
105.03418	0.7
107.05022	10.7
109.02975	1.0
111.53616	0.5
113.02450	7.4
117.03468	1.8
119.03471	2.7
119.05010	0.7
121.02914	0.8
123.04511	2.4
125.02429	0.7
129.01933	31.5
130.02251	0.9
131.03448	1.0
132.02185	2.2
133.02945	35.3
134.03624	1.1
135.04507	15.7
135.98409	1.1
137.02473	1.7
143.03513	0.9
145.02945	4.1
149.04538	2.0
151.03989	2.6
153.05598	0.6
153.09184	1.2
159.03056	0.9
160.01677	0.8
161.02425	100.0
161.04341	5.4
162.02768	3.5
167.03456	2.0
175.04030	0.7
177.05516	1.5
179.03482	8.3
179.05618	1.3
179.07024	0.6
180.03798	0.6
191.05594	0.9
197.08157	1.4
203.03444	0.8
221.04515	1.4
227.07149	1.1
253.17813	0.9
293.08762	0.6
295.10278	0.9
323.07706	8.4
345.15308	2.7
415.23288	11.6
416.23526	1.0
431.13382	29.5
432.13934	2.6
457.11255	7.2
475.12280	33.5
475.18149	4.8
476.12653	3.2
476.18500	0.9
486.07077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31960	0.9
50.63808	1.2
57.03432	1.6
59.01373	100.0
60.01696	0.9
61.98829	8.2
67.01887	17.0
68.34641	0.9
68.99818	6.4
69.03442	2.1
70.02978	1.4
71.01379	8.6
71.61555	1.6
71.61926	1.2
73.02946	2.4
73.98305	5.4
75.00853	1.1
80.91686	1.4
83.01366	2.1
85.02950	3.5
86.75722	1.0
87.00842	1.3
87.11840	1.0
89.02440	3.5
93.03450	14.3
95.01357	1.4
96.95974	5.8
99.00874	2.0
99.04514	18.9
101.02425	15.6
110.03707	1.2
111.00864	22.9
111.04504	2.6
113.02429	4.1
114.01950	1.2
119.03532	1.4
119.05016	1.1
121.10165	1.1
123.04500	3.6
125.06075	12.5
125.50690	1.0
127.03996	8.0
131.03494	1.1
135.04442	4.8
136.01649	2.0
137.02429	51.8
137.03493	2.5
138.02760	1.8
139.00362	15.5
139.11290	7.1
142.94562	1.0
143.03513	1.5
145.02928	1.1
145.05092	1.3
149.02379	1.1
151.03958	5.4
151.07660	3.2
152.03473	1.1
152.07060	1.5
153.05562	7.3
155.03477	1.3
156.46869	1.0
160.07629	2.6
161.02440	3.2
161.04556	1.5
163.03975	1.8
166.08719	17.6
167.02060	1.1
167.07129	1.2
169.05074	8.6
170.13060	1.0
173.04527	33.1
173.06012	2.1
177.05547	5.2
178.08723	1.5
179.03481	39.9
179.09052	1.5
183.07733	2.0
183.10210	5.7
190.08702	1.4
192.10300	8.2
195.06604	48.2
211.06073	4.9
221.04639	1.4
221.19008	2.3
227.06638	1.8
236.09212	6.0
236.11400	1.2
239.05620	12.3
243.06450	1.5
243.08731	18.8
263.05270	2.4
265.18176	1.1
267.41077	1.1
273.07629	3.2
275.05676	5.0
277.14401	2.0
283.19156	1.7
301.20139	7.6
305.10233	9.6
307.08200	10.7
311.59799	1.2
315.08527	2.0
315.57361	1.1
331.15659	1.8
357.09607	3.2
375.10843	15.5
379.13980	2.9
407.13422	12.2
408.13266	1.4
431.22571	2.6
475.17990	2.5
475.25366	11.7
476.19241	17.0
476.25409	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	475.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37206	1.2
55.01858	1.7
57.03455	1.4
59.01373	100.0
60.48671	1.0
61.01812	1.3
61.98817	12.3
65.03942	1.5
67.01882	19.4
68.99819	6.5
69.03471	2.4
71.01375	11.2
71.61563	1.7
72.99293	1.1
73.02927	3.6
73.98303	4.9
75.00869	1.8
78.90527	1.0
83.01365	2.2
83.04984	1.1
85.02930	4.3
86.00069	1.1
87.00887	1.7
88.98782	1.6
89.02423	6.5
93.03452	12.8
95.01391	2.2
96.95996	7.9
99.00835	2.6
99.04518	21.5
101.02433	19.4
109.02966	1.2
110.03689	1.3
111.00864	28.0
111.04516	2.3
112.04007	1.2
113.02429	4.9
115.03976	1.4
119.04995	2.3
121.10204	1.5
123.04454	2.8
124.75801	1.1
125.06069	17.4
127.04039	9.2
131.03445	1.8
135.04515	7.1
136.01610	2.2
137.02434	54.4
137.06050	2.4
138.05544	1.5
139.00365	15.7
139.11284	11.2
143.03516	2.5
145.05042	1.7
151.03952	4.1
151.07640	1.6
153.05566	9.2
155.03505	1.7
155.08292	1.3
160.03435	1.3
160.07623	1.9
161.02406	5.2
163.03972	2.8
166.08699	16.4
167.07129	2.5
169.05043	7.9
173.04524	15.3
177.05521	5.0
178.08643	1.5
179.03482	37.9
179.06935	1.6
183.07677	1.5
183.10231	11.4
190.08766	2.4
192.10251	6.3
195.06602	49.4
196.06935	1.3
199.09729	1.7
208.09811	1.3
211.06013	5.5
221.04442	2.3
223.06012	1.5
227.06682	2.5
233.15576	1.6
236.09242	4.1
239.05563	11.5
243.08702	19.9
263.05096	1.9
273.07562	1.9
275.05585	2.2
277.14410	2.2
283.18924	1.4
291.08490	1.3
296.14758	2.0
301.20117	4.2
305.10263	10.8
307.08224	10.3
311.09473	2.2
311.22256	1.2
315.08731	1.7
331.15720	1.6
357.09705	4.0
370.24271	1.3
375.10822	18.4
376.10941	1.5
379.13919	3.3
407.13541	12.7
408.13681	1.6
431.22827	3.4
458.18845	1.3
475.25320	5.5
475.30188	1.2
476.19098	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	475.16
Annotation	Kadsuphilin D
Peak:m/z	Relative Intensity
50.03705	0.6
58.00586	0.7
59.01372	58.1
60.01710	1.0
61.98812	2.3
66.82158	0.5
67.73434	0.5
71.01373	12.6
73.02925	1.7
82.13513	0.5
83.01385	0.8
85.02940	2.0
87.00843	0.7
89.02436	12.2
95.01373	0.6
96.95988	0.6
98.39053	0.5
101.02425	7.3
113.02414	4.3
114.01927	1.1
117.03455	1.5
119.03518	3.9
119.05016	4.1
127.26189	0.5
129.35545	0.7
131.03445	0.7
132.02156	16.6
133.02979	4.2
134.03729	22.4
135.04533	3.5
137.02383	0.7
137.06059	1.5
143.03461	1.1
149.04842	0.4
149.06049	3.0
159.02898	0.6
160.01637	76.6
161.02443	10.5
161.04448	3.4
173.04477	0.8
175.03972	76.8
176.04399	3.7
177.05548	0.9
179.03459	3.2
179.05589	3.4
179.07001	0.9
184.01590	0.6
190.08730	0.8
191.07149	2.0
193.05029	19.7
194.05429	0.6
221.04613	0.8
235.06073	4.3
265.07062	0.9
281.06461	1.0
295.08087	1.0
301.19846	0.8
415.23483	2.6
420.72604	0.6
460.13461	0.8
475.16019	100.0
476.16257	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	475.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23298	0.7
57.03463	0.8
59.01379	4.7
71.01371	17.7
71.60582	1.0
72.99298	2.0
73.02923	1.1
75.00895	0.8
75.61289	0.7
85.02955	1.4
86.26056	0.7
87.00874	8.1
87.04504	1.0
89.02427	5.3
92.79855	0.8
101.02442	2.8
113.02416	1.4
115.00351	17.0
115.04048	1.0
119.03483	1.4
121.02888	0.7
124.62325	0.7
130.99777	0.7
132.94617	3.0
133.01422	42.8
133.05054	100.0
134.05389	1.8
143.03523	0.8
153.06532	0.7
159.02959	1.0
161.02420	2.7
161.04460	1.6
165.36690	0.6
179.03476	0.8
179.05551	1.4
187.50327	0.7
191.05557	1.7
205.61458	0.8
264.89758	0.7
265.09280	1.0
280.30338	0.8
317.50018	0.7
321.54984	0.9
341.11319	4.1
377.08405	3.5
444.28348	0.8
475.14850	0.9
490.35068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23298	0.7
57.03463	0.8
59.01379	4.7
71.01371	17.7
71.60582	1.0
72.99298	2.0
73.02923	1.1
75.00895	0.8
75.61289	0.7
85.02955	1.4
86.26056	0.7
87.00874	8.1
87.04504	1.0
89.02427	5.3
92.79855	0.8
101.02442	2.8
113.02416	1.4
115.00351	17.0
115.04048	1.0
119.03483	1.4
121.02888	0.7
124.62325	0.7
130.99777	0.7
132.94617	3.0
133.01422	42.8
133.05054	100.0
134.05389	1.8
143.03523	0.8
153.06532	0.7
159.02959	1.0
161.02420	2.7
161.04460	1.6
165.36690	0.6
179.03476	0.8
179.05551	1.4
187.50327	0.7
191.05557	1.7
205.61458	0.8
264.89758	0.7
265.09280	1.0
280.30338	0.8
317.50018	0.7
321.54984	0.9
341.11319	4.1
377.08405	3.5
444.28348	0.8
475.14850	0.9
490.35068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01680	1.1
69.64504	5.8
70.02969	45.7
71.01365	1.3
96.00907	7.4
105.01914	1.4
112.04021	1.9
113.02486	1.2
114.01957	78.6
116.04936	1.0
122.02475	13.4
124.04023	2.5
130.06615	2.3
131.04604	4.5
132.04512	4.5
133.14783	1.1
137.06061	4.8
138.05576	5.1
146.06090	3.4
148.03970	1.3
149.06050	2.9
152.03546	1.9
152.07127	1.2
158.06056	4.2
161.02412	1.0
164.07176	6.2
168.65143	1.0
174.05571	4.3
174.09218	1.2
175.05093	3.6
176.07149	3.8
178.08659	3.0
179.07101	29.8
180.06509	5.8
182.08241	1.8
188.07144	1.6
190.05080	1.8
190.08707	39.0
191.09105	1.1
196.09720	1.4
207.07672	4.0
208.09772	9.5
233.09219	8.3
234.07649	1.4
251.06668	4.0
251.10318	21.4
267.13455	1.7
293.11285	2.8
295.09335	10.2
310.10812	1.7
311.12448	6.5
315.12296	1.2
344.28314	1.0
475.17209	20.7
476.17639	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	475.1828
Annotation	Cistanoside E
Peak:m/z	Relative Intensity
55.01869	2.0
57.03446	4.8
58.00596	1.5
59.01373	60.8
60.99302	1.8
61.98827	2.3
69.03448	1.9
71.01376	47.4
71.62365	1.1
72.01688	1.3
72.99309	4.8
73.02957	4.1
75.00881	1.6
83.01385	2.7
85.02940	37.7
87.00896	4.3
88.98801	14.0
89.02434	31.1
93.03467	1.6
95.01362	16.8
95.05011	1.1
99.00893	2.1
101.02440	13.4
103.04009	1.5
109.02950	6.8
111.00880	1.6
113.02435	100.0
114.02805	2.3
119.03506	9.6
119.05080	1.6
121.02942	1.8
122.03777	1.3
123.04534	1.9
125.02370	1.1
127.04045	1.4
133.02946	1.5
134.03732	10.1
135.04517	2.2
143.03444	5.3
147.04582	1.3
149.04727	1.0
149.06067	6.0
150.03227	1.7
151.04047	1.6
152.04842	1.7
153.01935	10.0
161.02460	3.6
161.04532	18.5
163.06232	1.6
165.05637	4.4
167.03575	2.2
179.03500	1.6
179.05577	2.1
181.08769	4.5
195.06595	10.7
200.39091	1.1
224.87830	1.3
269.08148	1.8
298.07849	1.0
311.11484	1.3
313.10547	3.9
329.12289	11.7
415.23459	3.3
439.16498	2.5
475.18488	67.3
476.18991	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74483	0.7
59.01374	6.7
60.99298	12.8
64.17016	0.6
71.01385	2.0
71.60841	0.6
71.61236	0.7
72.99290	0.7
77.20983	0.6
81.30771	0.6
85.02943	0.6
87.00870	0.8
88.00437	0.8
88.98800	100.0
89.02434	8.6
95.47057	0.7
96.96005	24.3
97.58887	0.7
101.02431	1.1
113.02448	1.6
116.55556	0.6
135.04544	0.9
161.02420	1.4
179.03471	1.6
213.09222	0.8
227.07172	0.8
243.10202	1.5
248.47046	0.7
281.83557	0.8
291.06738	0.9
371.62872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.1
58.00592	0.6
59.01373	46.7
61.98829	0.7
65.80269	0.5
70.93533	1.4
71.01373	11.4
72.99309	0.7
73.02933	1.3
75.00863	0.5
83.01411	0.6
85.02950	7.7
89.02432	9.0
93.03463	0.7
95.01362	2.5
96.66000	0.5
97.02853	0.4
99.00844	1.0
101.02430	5.8
113.02439	16.6
119.03470	3.1
123.04512	0.7
131.03510	0.7
134.03708	2.5
135.04518	1.1
137.02444	2.6
137.06070	1.3
143.03482	1.2
145.02934	0.8
146.03722	31.5
147.04228	1.3
149.06064	1.9
152.04791	0.6
159.03006	0.6
161.04552	4.3
161.06056	11.5
164.04765	24.1
165.05164	0.7
179.07108	100.0
180.07472	3.8
190.98080	0.6
201.92371	0.6
212.67619	0.6
220.56848	0.5
223.06050	0.9
315.19000	0.5
329.12363	2.1
391.55832	0.6
415.16019	1.5
415.23309	0.6
475.18466	10.3
476.18564	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1966
Annotation	Platyphylloside
Peak:m/z	Relative Intensity
57.03427	1.7
59.01371	28.0
60.12831	1.2
60.65025	1.0
61.98826	7.2
69.86121	4.8
71.01374	13.8
79.05520	14.5
83.44708	1.0
85.02924	6.0
89.02438	7.2
91.05536	1.7
93.03409	1.2
93.07080	2.8
95.01348	1.3
96.95998	3.0
99.04501	3.1
101.02432	7.1
105.07085	4.2
107.05013	2.6
109.06585	1.8
111.82558	1.2
113.02429	10.2
114.01932	1.6
115.06254	1.2
119.03476	2.7
119.08648	5.1
121.02934	1.3
121.06534	1.0
125.06019	3.6
129.07097	2.1
129.33826	1.2
131.08629	2.3
133.06564	1.6
133.10245	4.0
135.04532	1.6
137.06099	1.1
143.08643	5.0
145.02939	1.3
145.10182	4.9
157.10187	2.3
159.08124	1.2
161.02449	1.9
161.04608	1.8
163.07678	1.9
169.10094	1.3
171.10257	1.9
179.03618	1.2
188.89049	1.2
195.11722	2.3
197.13304	1.2
209.13269	3.7
211.13219	1.5
223.14891	4.0
225.16449	43.4
226.16769	2.6
249.16505	1.3
251.14288	6.6
261.05582	1.3
267.17490	3.2
269.15414	72.9
270.15784	3.8
293.10559	1.5
295.22729	4.2
311.16528	4.0
311.22177	5.9
313.14410	100.0
314.14612	9.2
342.11496	1.5
355.15555	3.3
475.28955	14.5
476.29559	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	475.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54936	1.3
58.02974	9.8
59.01374	37.4
59.03719	1.5
61.98518	2.3
61.98822	36.8
69.03412	1.3
69.41808	2.7
69.42214	8.4
70.02969	1.6
71.01386	6.7
73.02938	1.6
74.02459	11.8
81.44751	1.5
82.02985	1.6
82.95439	2.4
83.01373	4.3
85.02935	1.3
87.05618	1.9
89.02450	4.0
95.01392	1.3
96.04539	11.8
96.96017	1.9
97.04060	8.3
98.02458	5.0
98.06067	1.9
98.20557	2.8
99.05618	15.5
100.00415	3.0
101.02435	5.9
104.67320	1.5
108.04560	10.3
109.04041	2.6
110.02534	2.7
111.00919	1.7
112.04013	11.8
112.07666	11.8
113.02412	3.7
113.03596	7.7
113.04265	1.4
122.06084	3.8
124.03992	9.5
125.03537	3.3
125.04814	5.4
126.05549	1.9
127.05120	14.6
135.04517	2.2
137.06099	2.9
137.07202	4.5
138.05583	3.0
140.07161	13.9
143.04596	3.6
150.04347	1.7
152.03513	6.1
155.08244	27.1
161.02420	1.7
161.04503	1.6
165.06668	22.1
166.05061	4.4
181.06172	2.4
183.07730	37.2
184.08057	2.0
195.13876	2.0
209.05705	2.5
213.14897	5.0
225.05133	3.1
227.06706	100.0
228.07021	4.1
236.43506	1.4
246.38620	1.3
247.13660	12.7
301.20297	3.1
314.16980	1.6
475.21143	98.7
476.21301	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	475.2111
Annotation	Fuscaxanthone A
Peak:m/z	Relative Intensity
52.54936	1.3
58.02974	9.8
59.01374	37.4
59.03719	1.5
61.98518	2.3
61.98822	36.8
69.03412	1.3
69.41808	2.7
69.42214	8.4
70.02969	1.6
71.01386	6.7
73.02938	1.6
74.02459	11.8
81.44751	1.5
82.02985	1.6
82.95439	2.4
83.01373	4.3
85.02935	1.3
87.05618	1.9
89.02450	4.0
95.01392	1.3
96.04539	11.8
96.96017	1.9
97.04060	8.3
98.02458	5.0
98.06067	1.9
98.20557	2.8
99.05618	15.5
100.00415	3.0
101.02435	5.9
104.67320	1.5
108.04560	10.3
109.04041	2.6
110.02534	2.7
111.00919	1.7
112.04013	11.8
112.07666	11.8
113.02412	3.7
113.03596	7.7
113.04265	1.4
122.06084	3.8
124.03992	9.5
125.03537	3.3
125.04814	5.4
126.05549	1.9
127.05120	14.6
135.04517	2.2
137.06099	2.9
137.07202	4.5
138.05583	3.0
140.07161	13.9
143.04596	3.6
150.04347	1.7
152.03513	6.1
155.08244	27.1
161.02420	1.7
161.04503	1.6
165.06668	22.1
166.05061	4.4
181.06172	2.4
183.07730	37.2
184.08057	2.0
195.13876	2.0
209.05705	2.5
213.14897	5.0
225.05133	3.1
227.06706	100.0
228.07021	4.1
236.43506	1.4
246.38620	1.3
247.13660	12.7
301.20297	3.1
314.16980	1.6
475.21143	98.7
476.21301	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	475.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
62.96400	0.6
64.84136	0.5
65.63228	0.5
67.86463	0.4
68.78742	0.4
69.81721	1.5
69.82137	1.2
78.95895	7.5
83.61521	0.4
97.56089	0.4
108.05502	0.5
120.96918	2.9
137.00099	0.6
138.98071	1.1
152.99547	2.8
166.92072	0.4
195.00612	3.9
211.13414	0.7
213.01585	1.4
279.23239	100.0
280.23587	7.1
382.68079	0.5
475.24591	20.7
476.24930	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	475.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24622	0.4
55.01873	0.5
59.01372	100.0
60.01702	0.8
61.98825	2.8
66.38113	0.5
69.40834	0.5
69.53138	1.6
69.53555	1.7
71.01374	10.8
73.02943	2.2
74.89764	0.5
81.03453	0.7
83.01385	0.7
85.02943	3.3
87.00881	2.4
89.02435	6.5
95.01369	0.8
96.96021	0.7
97.02917	0.6
97.26003	0.5
99.00893	0.6
101.02427	7.2
113.02441	4.0
113.48763	0.5
119.03466	2.6
119.05053	1.2
123.04539	1.1
132.02150	3.3
133.02907	0.7
134.03734	4.1
135.04556	1.8
137.02460	1.2
137.06026	0.8
138.41649	0.5
139.04030	2.0
143.03494	1.7
147.04480	0.5
149.06023	0.5
159.02991	0.6
160.01633	10.7
161.02423	2.0
161.04506	6.5
163.04041	0.8
164.24512	0.5
167.03493	0.8
175.03967	13.2
176.04585	0.5
179.03516	1.3
179.05539	2.3
189.85269	0.5
193.04927	2.4
229.10120	0.6
235.06134	0.6
253.18045	0.5
311.09705	0.9
345.19208	3.6
415.23294	9.9
475.16037	14.9
476.16302	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	475.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78624	0.5
55.01869	0.8
57.03444	1.0
59.01373	100.0
60.01701	0.9
61.98820	5.1
69.03447	0.6
71.01376	15.0
71.62518	0.5
72.99295	1.1
73.02938	4.6
74.02462	0.5
75.00845	0.8
80.91676	1.0
83.01394	1.4
84.73537	0.5
85.02943	6.2
85.03384	0.7
87.00873	1.2
89.02439	7.1
93.03452	0.7
95.01404	1.6
96.96007	1.3
99.00895	1.3
101.02429	12.7
101.03059	0.7
105.46886	0.4
107.05035	0.6
107.57589	0.4
111.00902	0.7
113.02431	6.6
118.98091	0.7
119.03492	3.1
119.05027	1.1
129.01976	0.6
132.02133	0.6
133.02948	1.0
134.03760	1.8
135.04514	4.3
137.02428	16.6
143.03497	0.8
159.02975	1.4
160.01662	1.4
161.02444	1.9
161.04524	9.4
161.05829	0.6
166.06337	5.0
173.04630	0.6
174.05621	0.5
175.03967	1.1
179.03496	3.5
179.05586	1.8
179.06970	0.6
181.08681	4.2
193.05060	1.5
194.04524	1.1
205.03441	0.5
226.06790	0.5
235.16991	0.9
251.16626	0.5
253.18112	1.7
259.57541	0.6
276.15894	0.5
310.41025	0.5
311.09518	7.1
311.59738	1.7
345.19064	3.3
352.96826	0.5
415.23315	37.3
416.23730	3.3
425.14026	0.6
434.15829	0.5
461.59869	0.5
475.17166	3.1
475.23160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03430	0.8
58.00592	1.3
59.01372	100.0
60.01704	0.6
61.98821	6.2
68.99796	0.9
69.03461	0.6
71.01373	26.9
71.05044	0.5
71.62473	0.8
72.99311	1.7
73.02939	3.9
78.93317	0.6
81.92085	0.5
83.01397	2.2
83.05019	0.6
85.02934	8.3
87.00876	2.1
87.04544	0.9
89.02435	23.3
93.03473	1.8
95.01392	1.5
97.02963	0.9
99.00896	2.0
101.02429	18.3
109.02950	1.0
111.00909	0.8
111.04539	0.9
113.02432	11.1
115.05553	0.7
117.03459	1.3
117.17411	0.6
119.03503	9.6
119.04993	5.6
121.02993	1.4
123.04490	1.2
125.02429	1.0
131.03532	1.3
131.04993	1.0
132.02176	2.3
133.02960	2.3
134.03757	3.5
135.04486	2.8
135.98363	0.7
137.02460	1.7
137.06065	4.4
143.03447	2.8
145.02980	2.4
147.04503	7.3
149.02449	0.8
149.04553	1.0
149.06093	1.2
150.03340	0.6
151.03970	4.6
153.02023	1.1
153.05536	0.7
156.91560	0.6
159.03055	1.5
160.01634	10.6
160.02844	0.9
161.02455	6.4
161.04572	8.8
161.06100	8.2
163.03999	2.9
165.01920	0.9
167.03510	0.9
173.04591	1.4
175.02533	0.7
175.03952	12.6
177.05547	1.0
178.02734	0.6
179.03488	3.2
179.05644	5.7
179.07051	1.0
180.04208	1.0
181.05124	1.3
189.05611	3.8
190.02724	0.7
191.05644	2.4
193.04994	3.1
195.06607	0.6
205.05077	0.9
221.04538	1.1
251.05652	1.0
253.18054	1.1
279.19333	0.5
281.06790	1.8
297.06479	1.1
309.11801	1.0
311.07782	1.5
313.09601	1.5
323.07864	1.2
337.09317	5.0
341.08658	0.7
397.22305	0.8
415.23309	49.0
416.23743	4.0
475.16275	8.6
475.22324	2.6
476.16794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.1
57.03425	0.7
58.00587	1.0
59.01372	100.0
60.01734	0.8
61.98822	5.6
64.39075	0.6
69.03469	0.9
69.25577	7.2
71.01376	25.8
72.99304	1.9
73.02935	3.8
83.01395	1.5
85.02934	7.7
86.79159	0.7
87.00883	1.6
87.04530	0.7
89.02436	22.9
90.02785	0.8
93.03468	2.0
95.01385	1.6
99.00855	1.6
101.02426	18.3
101.03067	1.0
107.05068	0.9
111.00916	1.3
113.02450	11.0
114.19736	0.7
115.00341	0.7
117.03445	0.8
118.07877	0.6
119.03488	9.3
119.04980	5.8
121.02970	2.2
131.03494	1.3
132.02187	2.2
133.02959	1.9
134.03725	2.2
135.04501	3.6
137.02466	1.5
137.06073	4.5
143.03506	2.2
145.02957	2.3
147.04512	7.0
149.02547	1.3
149.04619	1.0
149.06082	1.3
151.03990	3.7
153.09189	1.0
159.03020	1.1
160.01630	11.5
161.02444	5.9
161.04570	8.8
161.06096	8.4
163.04018	3.1
164.04814	0.7
165.01868	1.1
167.03520	0.9
173.04568	2.1
175.03963	12.1
176.04416	0.9
177.05614	1.0
179.03545	2.7
179.05574	7.2
181.05103	1.6
181.12401	1.4
189.05499	3.8
190.02795	1.2
191.05669	2.8
193.05106	2.3
224.26068	0.7
267.09851	0.9
281.06723	1.9
309.12009	0.9
311.07837	1.6
313.09268	1.3
316.68042	0.7
323.07825	1.4
337.09402	3.7
415.23306	46.2
416.23645	4.3
475.16339	8.8
475.22821	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	475.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48008	0.4
54.75842	0.4
55.01881	0.9
57.03452	1.0
58.00584	1.4
59.01373	78.8
60.01716	0.6
61.98824	1.7
65.65551	0.5
68.99564	12.8
69.03463	0.5
71.01374	20.7
72.99292	1.7
73.02940	2.5
83.01369	2.5
85.02940	6.6
85.43956	0.4
87.00861	0.8
89.02431	13.4
95.01376	1.9
95.01909	0.5
96.95997	0.9
99.00883	0.8
101.02430	12.4
101.37606	0.5
102.93018	0.5
112.98553	14.5
113.02438	8.7
119.03490	3.5
125.02428	0.6
126.53281	0.4
129.09183	0.5
143.03552	0.8
145.02963	0.4
150.93289	0.4
152.03523	1.4
161.04558	1.2
179.07034	0.5
183.13919	1.6
237.18542	2.3
237.68690	0.5
269.15323	0.8
271.22879	0.8
277.21646	1.4
289.18106	1.1
295.22745	11.8
296.23181	0.7
311.22003	0.5
313.14713	0.6
313.23761	3.5
337.98508	0.5
415.27020	5.1
433.28018	7.2
434.28159	0.9
437.23724	3.9
439.24960	0.6
444.24329	0.5
462.44608	0.5
475.29019	100.0
476.19583	0.7
476.22174	0.8
476.29333	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
57.03438	2.1
58.00607	1.0
59.01374	41.5
61.98813	1.8
63.74322	0.5
65.06715	0.5
68.99564	0.8
69.03428	0.6
71.01377	20.9
72.99294	1.6
73.02930	1.5
79.05511	1.1
83.01373	1.4
85.02936	5.7
87.00854	1.1
88.98755	0.7
89.02438	15.1
95.01368	1.8
98.19837	1.2
101.02434	13.0
107.05004	0.6
112.98534	0.7
113.02431	7.6
117.84789	0.5
119.03491	4.0
119.05097	0.6
119.08685	0.7
133.10202	0.6
135.14388	0.5
143.03459	0.5
143.08641	1.0
152.03522	0.9
161.04530	1.6
171.10257	1.3
179.05606	0.7
179.07085	0.8
183.13905	1.8
208.09724	1.0
225.16403	3.5
238.35092	0.5
251.14355	1.0
251.20097	1.2
253.17934	0.9
269.15448	6.5
293.21066	0.8
295.22742	12.8
296.23117	1.3
311.22269	6.2
313.14438	10.3
313.20297	1.1
313.23795	3.3
346.08301	0.5
349.02533	0.5
369.09711	0.6
415.23306	8.7
416.23349	1.2
475.29062	100.0
476.29379	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	475.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
58.00594	1.0
59.01373	72.0
60.01704	0.8
61.98832	0.9
71.01374	15.3
71.61742	0.5
72.99305	1.5
73.02945	0.8
78.98911	0.4
79.05523	0.8
83.01390	1.4
85.02946	3.2
86.47761	0.4
87.00883	0.8
89.02431	12.1
89.64828	0.4
95.01401	1.2
101.02441	11.0
107.05040	0.5
113.02438	7.9
119.03501	4.7
119.08672	0.6
123.04530	0.5
137.09665	0.5
155.49367	0.4
159.08069	0.5
161.04582	0.6
179.05699	0.8
179.07185	1.2
180.10266	0.8
181.07100	0.4
195.11926	0.6
209.13333	0.6
225.16449	3.7
251.14558	0.5
269.15436	6.8
277.21664	0.5
293.21106	0.8
295.22858	0.8
311.22095	2.1
313.14410	12.0
313.23822	0.8
314.14734	1.2
457.27890	3.9
458.28537	0.6
475.29050	100.0
476.29416	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	475.3421
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
57.03426	0.4
59.01373	2.1
59.63679	0.4
59.68205	0.4
60.99296	0.5
61.98819	0.9
71.01376	3.9
71.04997	0.7
73.02936	3.5
95.05008	0.9
97.06575	3.6
109.06598	0.9
111.08144	8.2
123.08160	2.5
135.08134	3.3
135.12312	0.4
137.09703	1.3
139.10173	0.7
139.11264	13.1
140.11563	0.5
165.09187	11.6
166.09540	0.6
174.97409	0.4
183.10233	79.0
184.10593	3.0
259.17047	1.2
261.18411	0.4
263.20053	0.6
273.18597	1.2
275.20108	50.3
276.20538	3.0
291.23248	28.0
292.23483	2.1
302.97357	0.4
305.21097	0.5
307.75629	0.4
357.28122	0.4
359.29266	1.1
383.29333	0.7
401.30191	0.7
413.34512	0.5
417.73895	0.4
445.36530	0.5
457.32877	1.1
475.34189	100.0
476.34454	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	476.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05490	1.6
54.51173	1.5
55.40711	1.6
59.01374	99.9
61.98830	1.6
69.53516	10.8
71.01373	45.8
88.04030	20.5
88.98817	2.5
91.04871	1.7
101.02386	1.7
115.00363	97.7
116.00636	1.8
116.05072	2.8
121.01733	2.4
122.02476	43.4
124.04009	8.0
130.06621	8.3
131.03787	2.5
132.02985	4.9
132.04527	7.0
137.06042	9.5
138.05600	19.4
146.06056	4.0
148.07652	1.7
152.03516	1.8
158.06105	12.4
160.03979	3.2
160.07658	1.8
164.07130	15.2
174.05606	7.7
175.06317	9.7
178.08675	2.0
179.07135	27.5
180.06635	3.9
182.08920	1.5
188.07173	2.9
190.05070	8.3
190.08711	96.2
191.09019	2.7
204.11427	2.0
208.06320	18.7
208.09755	100.0
209.10100	3.2
222.07706	2.6
234.04050	1.9
234.07605	2.5
252.05080	2.3
252.08771	2.3
284.11063	1.7
291.58994	1.4
309.52176	1.6
310.10962	1.6
328.11755	2.9
388.40634	1.6
476.15555	54.0
477.15579	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	476.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	53.8
60.04532	2.0
69.31245	1.3
69.31638	4.8
72.00896	0.8
79.80534	0.6
83.12029	0.6
86.02457	0.6
102.03425	0.6
108.04538	2.7
109.04891	0.6
109.73550	0.5
116.05055	0.9
117.22910	0.5
117.64916	0.5
119.04966	0.9
122.06073	1.5
127.81121	0.5
130.06607	1.2
134.06120	0.6
138.05595	1.8
147.04401	0.8
148.07652	3.0
149.06023	1.3
150.05592	1.1
151.03944	1.0
158.06078	3.2
160.04037	5.2
160.05215	0.9
160.07678	2.1
161.02484	0.6
161.06108	3.1
162.09224	1.1
163.04059	0.9
163.07600	0.7
164.07118	1.5
165.05643	0.6
174.05553	4.5
175.06364	6.8
176.07111	6.6
177.04210	0.9
177.05556	1.8
178.05008	1.3
178.06361	1.6
178.08673	1.4
181.08708	0.9
187.06342	0.5
188.07069	2.8
190.08704	14.0
192.06601	8.7
192.08124	1.0
192.10234	1.0
193.07098	1.1
193.08669	9.5
205.07394	4.9
206.08183	2.5
207.08971	2.2
208.09734	5.1
220.09753	13.5
222.07652	1.0
222.11406	2.7
234.07715	1.0
234.11142	0.7
237.09970	3.6
252.12354	8.6
264.08615	1.3
296.11346	100.0
297.11734	5.3
314.12396	20.7
315.12827	1.1
356.13452	59.5
357.13736	4.5
373.97858	0.6
416.45438	0.6
424.47293	0.6
452.98657	0.6
476.19031	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.4
61.98823	1.4
61.99753	0.5
70.21075	2.9
78.95900	3.9
85.10638	0.8
93.67131	0.6
97.06588	1.2
98.06871	0.7
98.20081	1.4
98.20635	0.6
131.40417	0.7
132.44031	0.7
140.01149	2.2
161.96858	0.8
196.03795	1.4
214.04744	3.3
279.23242	100.0
280.23615	6.5
414.34781	0.8
476.27698	9.6
476.34586	6.5
477.28299	1.5
477.35574	1.2
484.16733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
69.33460	3.2
72.02150	0.4
74.06399	0.4
78.95895	47.6
81.98417	0.3
96.96960	2.4
102.46414	0.4
122.00108	0.6
140.01157	5.7
152.99574	7.5
164.80595	0.4
171.00621	5.5
180.93446	0.4
196.03780	10.2
214.04764	2.3
248.46762	0.4
277.21704	1.8
279.23248	100.0
280.23602	6.4
367.39114	0.4
402.23441	0.4
475.17581	0.4
476.27756	48.7
477.28226	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	477.103
Annotation	Keyakinin B
Peak:m/z	Relative Intensity
54.24272	0.9
59.01373	15.5
61.98820	6.9
69.03427	2.7
71.01358	3.4
73.02937	1.2
81.03429	1.4
82.54591	0.9
83.01353	1.2
84.80755	0.8
85.02918	1.9
89.02415	2.9
93.03432	1.0
94.58480	0.9
95.01349	1.7
97.02923	2.7
101.02425	4.0
107.01382	1.1
108.02151	1.9
109.02910	2.0
113.02402	1.6
117.03438	4.6
119.03549	0.8
119.04990	7.2
119.66386	0.8
121.02858	0.8
123.00865	7.1
123.04463	0.8
124.00845	1.3
124.01659	19.9
125.02438	38.8
133.02916	1.9
135.04489	3.0
137.02444	2.1
139.04010	1.6
145.02936	24.4
147.04472	1.4
149.02347	1.0
149.99573	38.3
150.03206	0.8
151.00360	2.1
152.01079	0.9
153.09155	2.5
155.10706	1.6
157.88672	0.7
160.01636	1.4
161.02423	9.3
163.03967	6.3
166.16171	0.8
167.03377	1.5
168.00620	65.7
169.01335	3.9
175.00266	1.1
175.03938	1.3
179.03532	1.0
190.02672	3.2
191.05501	2.7
195.02937	1.9
197.08090	3.0
199.09598	0.8
205.04961	4.2
223.06068	0.9
227.06995	0.9
255.05019	1.3
268.08035	1.3
296.11267	3.0
299.01904	1.7
307.08102	1.5
313.05582	4.4
331.06662	21.6
337.09097	1.0
388.06818	0.8
477.10107	100.0
478.10608	11.2
478.16995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1031
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
54.22548	0.5
59.01377	8.0
61.78366	0.5
69.03500	0.7
71.01377	5.5
71.23437	0.5
72.99341	0.6
73.02998	1.4
74.53312	0.6
81.03519	0.7
83.01400	1.0
85.02531	0.9
85.03009	2.7
89.02483	2.5
95.01423	1.8
98.19845	1.9
101.02478	2.6
108.02160	35.5
109.02946	20.6
109.04727	0.6
111.00989	0.6
113.02493	2.1
117.03481	0.8
119.03495	0.6
121.02957	0.7
123.00887	0.8
123.04457	0.6
124.12553	0.6
132.02173	1.2
133.02939	39.4
134.03270	1.3
135.04514	17.9
135.05478	1.2
136.35785	0.6
151.04015	0.9
152.01129	47.7
153.01920	25.0
154.02232	0.7
161.02419	100.0
162.02759	3.2
163.03973	1.2
165.01909	1.3
177.05505	0.6
179.03477	11.5
203.03374	0.6
213.07578	0.8
229.89879	0.9
276.97742	0.6
277.77841	0.6
315.07181	37.5
315.10721	1.2
316.07327	2.2
323.07431	1.1
337.39606	0.6
417.23251	0.7
433.11325	2.7
433.20108	1.1
477.09531	86.8
478.09763	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	477.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
66.97176	0.7
69.27723	5.9
74.99073	0.7
77.63931	0.5
84.02157	2.4
87.00866	31.1
96.95260	0.7
106.68828	0.6
108.02166	3.1
119.05015	1.3
120.99640	5.7
121.02930	1.6
123.00829	0.9
123.04492	3.2
125.45009	0.6
133.02986	0.8
134.03760	1.2
135.04524	0.9
136.01642	1.7
145.02933	1.7
147.04535	1.7
149.06085	1.2
150.03259	1.7
151.03984	1.8
157.02927	1.9
158.03859	0.7
159.04507	0.7
161.02414	0.8
162.03168	1.2
163.04010	2.7
165.05553	0.9
171.04504	1.0
173.06078	2.5
174.03241	1.7
175.03990	17.4
176.53308	0.6
178.02696	2.0
189.05576	3.4
190.06313	3.3
193.05020	1.1
210.03615	1.3
223.04335	1.6
231.06645	1.2
234.24208	0.6
235.04543	0.6
252.07568	0.6
279.06754	0.9
280.07483	3.5
281.07962	0.7
295.09702	0.8
308.31104	0.7
309.07755	0.7
310.08432	19.2
311.08707	1.9
321.07632	1.3
322.08365	1.3
325.10757	55.8
326.11240	3.8
337.10638	1.3
340.09296	1.1
343.11841	0.9
355.11813	23.2
356.12115	1.1
380.56064	0.7
389.10593	100.0
390.10901	8.0
438.45346	0.7
477.12177	52.5
478.12628	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63039	0.3
58.00582	0.4
58.99256	0.4
59.01376	8.0
59.29219	0.3
61.98821	0.5
68.72187	0.3
69.30838	2.5
69.31245	0.7
71.01375	3.5
72.99299	0.5
76.53854	0.4
85.02940	1.0
89.02437	3.4
95.36012	0.3
101.02435	2.4
105.03447	0.5
113.02422	1.1
117.03455	0.9
119.03499	1.4
121.10188	0.4
123.04510	0.5
126.96824	0.3
132.02145	1.1
133.02951	26.9
134.03461	0.6
135.04514	10.6
147.04530	0.5
149.02371	0.6
149.06065	0.5
153.05565	0.6
161.02431	100.0
162.02756	3.4
166.05043	0.5
177.05579	0.5
179.03467	2.6
183.10263	1.5
197.39075	0.4
221.04465	0.6
243.81099	0.4
281.06583	0.6
315.10791	2.8
342.12161	0.5
477.13922	48.9
478.13950	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	477.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35420	0.1
59.01372	6.3
59.01675	0.3
59.33664	0.2
69.33550	1.4
69.33974	0.3
71.01376	3.5
72.99310	0.2
73.02937	0.2
83.01394	0.2
85.02943	0.7
89.02433	3.4
92.00045	0.2
95.01343	0.2
101.02429	2.3
105.03462	0.5
107.05104	0.2
109.02947	0.2
112.21573	0.2
113.02420	1.1
115.00283	0.2
117.03463	0.5
119.03497	1.4
123.04513	1.2
132.02161	1.2
132.36343	0.2
133.02942	25.6
134.03624	0.7
135.04506	12.0
136.04863	0.2
137.02415	0.3
140.21722	0.2
143.03522	0.2
149.06084	0.3
153.05577	1.0
161.02422	100.0
162.02768	3.4
177.05562	0.5
179.03470	3.2
181.05095	0.2
183.10153	0.2
221.04550	0.8
225.11172	0.2
251.05606	0.3
281.06668	0.4
315.10812	3.3
323.07825	0.3
477.13937	50.7
478.14227	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	477.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
61.98798	0.5
71.01376	2.7
85.02911	0.8
89.02458	2.4
95.01423	0.5
98.19840	0.9
99.00849	0.8
101.02399	1.4
107.05060	0.6
108.02164	4.0
109.02924	4.2
113.02427	1.2
117.03445	0.5
119.03521	1.0
123.04492	1.2
131.11189	0.4
132.02148	1.6
133.02943	33.8
134.03627	0.9
135.04512	18.0
137.02454	0.5
152.01140	5.1
153.01920	4.9
153.05594	1.1
161.02423	100.0
162.02782	3.5
179.03476	11.2
180.03886	0.6
194.68153	0.4
203.03619	0.4
206.31299	0.4
222.79672	0.4
232.02419	0.4
297.06326	0.8
315.07388	5.2
315.10898	1.0
338.92419	0.4
387.11136	0.7
477.14374	57.3
478.14709	4.7
478.20654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	27.7
59.01370	14.5
62.31963	1.0
71.01374	12.7
72.72604	0.8
73.02945	2.5
75.00878	2.5
78.95872	2.4
83.01379	1.5
85.02946	3.1
87.00834	2.2
88.32914	0.8
89.02439	14.1
95.01361	2.0
96.95991	3.4
96.96945	1.2
99.00847	0.9
99.04507	39.3
100.04905	1.2
100.39106	1.0
101.02432	22.0
108.02159	5.1
113.02440	8.3
119.03477	3.2
123.04494	1.6
131.03445	2.2
133.01427	2.4
133.05042	2.2
135.02963	7.2
135.04536	3.0
142.16402	1.0
143.03470	3.0
149.04553	1.8
151.03990	2.6
159.02980	2.3
161.04543	100.0
162.04860	2.2
162.76260	0.9
179.05553	5.5
191.05537	1.1
195.06865	1.0
221.06670	2.4
229.43120	0.9
231.03046	1.1
275.11832	1.0
412.29517	1.0
477.16083	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	477.1608
Annotation	Scroside D
Peak:m/z	Relative Intensity
55.01870	1.2
55.04001	0.4
57.03437	4.4
58.00588	1.3
59.01374	24.1
65.28299	0.4
70.16720	2.1
70.46967	0.5
71.01375	41.1
72.99319	1.2
73.02931	1.6
81.03458	0.5
83.01369	1.7
84.02152	0.7
85.02940	38.3
86.03270	0.7
87.00867	2.1
89.02433	24.1
95.01378	16.8
96.96011	4.8
96.96961	0.8
99.00894	0.7
101.02434	9.0
108.02162	48.5
109.02412	1.1
109.03008	0.8
109.37667	0.5
111.00848	0.6
113.02435	100.0
114.02776	2.1
119.03490	6.6
123.04517	4.6
125.02396	1.0
131.03500	2.1
134.03670	1.0
135.04504	6.0
143.03477	5.7
149.04559	1.2
150.03191	1.0
151.03957	5.1
153.05577	2.2
161.02490	0.8
161.04538	21.4
162.04816	0.5
164.07040	0.6
179.05583	5.7
300.91620	0.6
315.10760	4.9
403.82751	0.5
459.14999	2.0
477.16122	12.9
478.16214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1607
Annotation	Scroside D
Peak:m/z	Relative Intensity
50.18005	0.6
55.01857	1.4
57.03443	3.4
59.01374	27.4
71.01373	33.5
72.01688	0.7
72.48084	0.6
73.02924	2.1
83.01373	2.0
85.02947	30.9
85.34988	0.6
87.00861	2.1
89.01901	1.3
89.02434	17.7
94.61416	0.8
95.01369	13.3
98.20633	2.2
99.00835	1.3
101.02428	9.2
107.05000	0.8
113.02433	68.6
114.02755	1.6
119.03506	6.8
123.04523	10.2
131.03464	1.0
134.03664	1.0
135.04509	40.5
136.04846	1.0
143.03476	2.5
153.05562	11.1
161.04533	10.4
179.05589	3.2
271.15683	0.7
297.09753	1.6
315.10809	10.9
323.09607	1.6
477.16043	100.0
478.16489	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01706	0.8
61.98824	0.5
68.99805	9.5
69.03447	11.3
69.25961	4.7
70.00197	0.5
71.01376	1.3
73.69118	0.5
87.00816	0.5
89.02445	1.8
92.99787	0.9
98.19887	1.0
100.00462	0.5
100.90813	0.5
101.02425	26.9
105.97948	0.5
109.02956	0.6
111.00892	0.9
113.02442	1.1
119.03505	0.7
119.04991	0.6
121.02958	0.9
125.02435	11.4
128.03612	0.5
133.02937	1.5
135.04530	1.1
143.82809	0.4
151.07626	0.6
153.01941	2.0
153.05556	11.9
154.05849	0.5
155.91522	0.4
161.02438	4.1
162.02855	0.6
181.05032	0.6
185.04517	52.3
186.04889	1.5
204.66750	0.4
223.06102	1.9
223.09683	0.5
227.09206	0.5
237.07837	0.7
239.55814	0.5
251.09285	0.8
255.08679	22.4
297.09702	0.6
328.47903	0.6
357.11917	0.8
417.13989	1.3
444.78024	0.5
468.42841	0.6
477.13611	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1611
Annotation	Scroside D
Peak:m/z	Relative Intensity
57.03441	30.2
59.01374	24.1
64.35940	1.3
66.71036	1.4
69.93710	1.3
70.77126	3.7
71.01377	20.5
72.99303	1.5
73.02923	3.9
75.00853	5.5
78.95908	3.1
83.01381	2.2
85.02958	6.2
87.00865	3.3
89.02434	21.0
94.79100	1.2
95.01377	3.0
96.95998	5.2
96.96940	1.9
97.02963	1.3
98.20118	2.4
99.00826	2.4
99.04505	41.2
101.02430	29.0
108.02167	8.7
109.02962	2.1
113.02440	16.3
115.00320	1.3
117.01903	1.6
119.03462	6.6
123.04505	1.6
125.02380	1.6
131.03520	3.2
133.01448	2.2
133.02919	1.6
133.05031	4.9
135.02998	16.0
135.04500	5.3
138.42284	1.3
142.12263	1.4
143.03481	5.6
151.04016	2.6
153.01834	1.5
153.05435	1.2
161.04546	100.0
162.04881	2.8
179.05638	7.3
191.05548	3.0
201.51907	1.3
221.06580	4.1
267.07343	1.7
291.90137	1.3
315.07129	3.0
315.10571	1.9
440.98950	1.7
447.68866	1.4
464.84543	1.3
477.07620	1.9
477.15979	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	477.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01372	100.0
61.98816	2.3
63.50065	0.7
68.37309	1.0
69.41338	6.5
71.01377	12.8
73.02943	5.1
75.50209	0.7
83.01402	1.1
85.02940	5.4
88.22082	0.9
89.02431	4.0
96.95985	1.0
99.00843	1.3
101.02419	8.3
108.98929	0.7
113.02444	5.7
119.03424	1.5
161.02406	2.3
161.04506	3.6
171.49330	0.8
179.03595	0.8
179.05469	1.4
203.05649	1.3
355.21228	5.9
366.63962	0.8
397.22208	2.5
477.21548	1.3
477.28650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03457	1.9
58.00588	1.1
59.01373	40.0
61.98826	6.1
67.01908	0.8
69.03449	3.1
71.01376	34.9
71.62567	0.9
72.99300	2.8
73.02944	8.9
75.00865	4.5
81.03441	1.9
83.01385	3.3
85.02946	12.7
87.00858	1.6
88.98757	1.0
89.02436	29.7
90.72203	0.8
93.03434	1.7
95.01386	3.0
96.96005	6.6
97.02946	2.1
99.00865	6.0
99.04510	1.6
101.02425	21.0
107.01369	0.8
108.02161	37.3
109.02946	28.5
110.03194	1.0
111.00842	0.9
113.02439	11.0
115.03984	1.2
117.03446	1.2
119.03492	4.2
121.02937	2.5
121.10222	6.0
123.04501	5.4
125.02428	7.0
131.03470	5.0
132.02135	1.7
133.02945	34.9
134.03693	2.7
135.00853	2.8
135.04507	21.8
136.53265	1.0
137.02415	2.7
139.11298	1.1
143.03458	1.4
149.04535	6.4
149.05594	0.8
149.06146	0.9
150.03145	2.3
151.00388	0.9
151.03979	2.3
152.01135	50.1
153.01927	28.9
153.09222	2.1
153.50887	1.0
159.04369	0.9
161.02422	100.0
161.04561	4.3
162.02780	3.7
163.04005	1.5
165.01843	1.4
165.05573	1.9
165.09164	1.9
167.10699	1.0
169.95067	0.8
173.04515	1.0
175.03918	1.0
177.01994	1.1
177.05618	1.1
178.02753	0.8
179.03481	10.1
179.11984	0.8
183.10222	21.1
184.10699	1.1
187.00316	1.2
191.05574	3.1
191.07129	1.4
193.05025	2.5
195.02946	1.1
195.06702	1.4
197.08099	1.0
197.11792	1.4
221.04553	1.5
225.11275	1.6
233.06561	4.2
235.26160	0.7
275.07578	0.9
293.08713	8.8
297.08313	0.9
311.09882	1.9
315.07172	39.8
316.07602	1.7
323.07709	3.4
345.15475	22.9
346.15994	1.1
361.12741	1.5
433.10986	4.0
477.10358	86.7
477.19785	61.5
478.09924	7.7
478.20135	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	477.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.3
71.16472	3.2
71.53010	1.6
78.57725	1.7
78.95895	100.0
96.96955	4.0
140.01157	4.3
152.99550	14.8
163.06091	3.1
171.00591	13.3
172.01004	2.3
196.03784	7.9
197.04037	2.7
277.21680	93.5
278.22174	6.1
279.23242	31.2
280.23596	81.1
281.23822	2.4
386.40457	2.0
408.59671	1.8
477.28131	82.2
478.28415	6.1
479.44498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	14.3
59.30946	8.2
61.98804	13.1
62.18093	8.5
71.01371	14.8
71.62320	9.7
71.62772	16.1
86.29686	10.9
117.87707	9.2
134.91977	8.4
200.14662	9.1
279.23282	100.0
477.26071	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	477.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	15.8
61.98819	33.3
71.62190	15.7
78.95899	100.0
99.24373	8.7
133.68727	9.2
152.99538	20.1
171.00635	12.6
193.08633	10.9
279.23260	30.5
477.26547	16.1
477.35681	35.5
478.29260	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31803	11.4
58.92633	13.5
59.01381	19.4
68.60547	11.9
71.01360	12.2
76.13116	9.8
78.95893	100.0
94.87025	11.8
96.96974	13.8
113.27721	11.7
130.49149	10.9
139.51117	11.2
152.99585	23.6
169.13495	10.8
171.00664	31.4
279.23251	31.4
293.24643	18.3
298.47003	9.9
386.36179	13.6
477.35803	26.5
478.29178	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03445	1.3
59.01372	100.0
60.01672	1.1
61.98519	1.2
61.98822	18.3
65.20855	0.8
68.53435	1.1
69.03422	0.9
70.19510	0.9
71.01372	26.3
71.62633	1.0
72.99279	1.3
73.02934	8.7
74.01802	0.9
74.63802	0.8
75.00851	1.1
83.01394	2.1
85.02942	10.9
87.00851	1.7
89.02440	9.5
93.03441	2.9
95.01369	2.7
99.00870	3.2
101.02428	18.0
107.05019	1.3
109.02946	1.8
113.02440	12.3
117.37319	1.0
119.03481	4.0
120.99689	2.1
123.04468	0.9
125.02393	1.4
131.03427	1.0
133.02921	1.6
134.03712	0.9
135.04510	21.5
143.03542	1.8
150.56818	0.9
153.01891	4.0
155.10693	1.6
159.02943	2.8
161.02472	4.4
161.04539	19.9
173.04449	1.2
175.03961	1.3
176.07155	1.0
179.03450	9.9
179.05539	2.1
182.04593	1.4
183.10226	3.0
199.09715	1.1
225.11360	1.4
252.08733	1.1
255.19537	1.8
282.09613	1.5
309.11703	1.3
315.08713	6.0
342.11639	2.7
417.24860	59.7
418.25104	4.3
477.14200	5.4
477.19525	1.8
478.17075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85511	0.3
59.01373	2.7
60.01703	0.4
61.00437	0.3
61.98823	100.0
71.01368	2.5
72.01721	0.5
72.99289	1.6
73.02952	0.5
85.02959	0.5
87.00868	0.4
88.98775	0.4
89.02436	1.9
90.02766	0.5
91.02856	0.5
101.02460	1.2
112.74338	0.3
113.02393	0.4
125.02448	0.3
131.03490	0.5
133.02963	1.6
134.03413	0.4
135.04524	1.0
136.04782	0.4
149.04587	0.7
150.03265	0.4
150.04874	0.4
151.04970	0.4
155.10757	0.7
161.02434	3.0
162.02773	1.8
165.05540	0.5
167.03476	0.7
179.03497	1.0
190.54140	0.3
197.04549	0.6
199.09859	0.5
229.14432	0.3
229.57645	0.3
418.16666	0.3
468.81946	0.3
478.13733	3.0
478.19766	0.9
479.12158	0.5
479.21027	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	478.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77457	1.0
58.20076	1.2
59.01373	67.6
61.98822	100.0
65.03939	1.1
69.31706	10.1
75.51439	1.1
85.02915	2.3
88.04015	3.9
95.32336	1.2
98.00474	1.0
101.02418	1.8
114.56342	1.1
118.06637	2.2
119.04977	2.5
122.02426	2.2
122.06120	1.3
123.04489	3.3
124.03982	3.2
134.06035	3.4
135.04478	2.4
136.07626	2.3
138.05603	5.2
146.06042	3.4
148.03989	2.2
148.07616	4.4
149.05989	1.4
150.05577	2.1
151.04018	6.9
151.07532	2.4
152.03433	1.6
152.07094	3.2
153.05545	4.9
160.07634	3.1
161.02368	1.4
161.04729	3.3
161.61015	1.1
162.05476	3.3
162.09138	4.8
164.03319	1.2
164.07156	9.6
165.05511	1.4
166.05028	4.6
169.32458	1.0
172.07634	1.3
174.05542	2.0
176.05946	1.1
176.07138	11.6
177.05476	1.7
178.04982	4.9
178.08618	4.5
179.07059	1.6
180.02969	5.9
180.06618	10.2
183.02946	1.7
188.07034	3.9
190.08672	8.3
192.10182	4.8
194.08133	3.3
195.06609	18.6
204.10258	2.8
206.08086	5.9
208.09779	5.2
210.07567	1.5
220.06116	1.4
220.09738	1.5
222.11348	5.8
237.06273	4.9
238.10664	4.0
240.08551	1.4
248.09132	3.5
252.08719	24.9
253.06985	4.4
266.10291	8.1
267.10733	1.5
282.09796	28.7
283.10083	1.7
298.12781	4.2
300.10699	2.6
342.11884	25.6
343.11981	1.5
364.34656	1.3
370.12637	1.1
390.06857	1.0
402.15433	2.6
407.91547	1.1
418.14853	10.5
436.15765	1.9
446.14316	3.2
478.16974	47.0
479.17535	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	478.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53726	0.3
56.46836	0.3
59.01367	1.1
61.98813	0.3
62.32095	0.3
63.45537	0.3
67.18832	0.3
68.01405	1.2
69.03450	6.0
69.74900	0.6
69.75309	1.1
71.01376	0.3
74.58060	0.3
81.02197	0.6
84.04538	8.2
93.02196	0.8
94.02962	0.8
94.22160	0.3
95.05020	5.1
99.77008	0.3
100.04034	3.8
102.05602	0.4
108.04530	0.5
109.01727	0.6
110.06099	6.0
113.95516	0.3
119.05006	0.4
121.02935	1.4
126.05647	0.3
127.58251	0.3
128.78979	0.3
130.08725	1.3
133.02965	0.3
134.06117	0.8
135.04503	0.4
137.01152	3.6
137.06053	2.1
139.03989	0.9
142.08757	0.8
143.03423	0.4
147.04488	1.0
148.03978	0.4
152.03517	100.0
153.03883	2.3
154.05067	3.2
154.72157	0.3
157.18147	0.3
161.02415	1.6
162.05562	2.4
164.07030	0.4
168.06618	1.0
178.08690	0.4
179.03401	0.4
180.06659	4.0
186.07687	7.8
186.59503	0.3
190.05040	0.8
190.08813	0.4
206.04547	1.2
222.07675	4.7
232.09761	2.3
238.07178	33.4
239.07532	1.3
258.07745	0.4
259.09775	1.3
266.10278	0.6
276.08777	1.9
308.11322	6.7
309.11609	0.7
315.11035	0.3
376.14023	1.1
414.15240	0.3
446.18179	3.8
447.18283	0.4
478.20767	9.2
478.67993	1.4
479.20816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74691	0.2
59.01376	2.2
61.93324	0.2
61.98823	0.3
67.01886	0.3
68.01405	1.9
69.03447	6.1
70.35681	0.4
78.87189	0.2
81.02200	0.7
83.01392	0.2
83.05026	0.2
84.04535	8.7
85.02937	0.3
93.02150	0.9
94.02975	1.0
95.05011	5.4
100.04037	3.9
101.02412	0.3
102.05595	0.7
107.27467	0.2
108.04542	0.5
109.01682	0.6
110.06104	5.3
111.00853	0.3
119.05003	0.6
121.02932	1.3
121.06570	0.3
134.06131	0.7
135.04457	0.2
136.07619	0.2
137.01173	3.9
137.06059	1.8
138.01842	0.2
139.03993	1.2
142.08723	0.8
143.03482	0.4
146.06180	0.2
147.04480	0.9
148.03990	0.3
152.03513	100.0
153.03871	2.3
154.05067	3.2
162.05600	2.2
164.07156	0.2
168.06630	0.8
178.08704	0.3
178.37932	0.2
180.06636	3.8
186.07683	9.2
187.08049	0.3
188.03520	0.3
188.10760	0.3
190.05104	0.7
190.08707	0.4
206.04584	1.6
208.06166	0.3
212.09210	0.3
214.08745	0.6
222.05511	0.3
222.07689	5.0
223.08104	0.2
232.09767	2.3
238.07170	35.9
239.07495	1.7
258.07660	0.4
259.09787	1.4
266.10272	0.4
276.08670	2.2
283.64001	0.2
296.11273	0.3
297.11642	0.4
298.11926	0.6
308.11334	7.9
309.11630	0.5
326.12411	0.6
340.13940	0.6
357.13669	0.4
358.14117	0.3
376.14169	1.3
414.15308	0.6
446.18079	5.0
447.18491	0.5
478.20743	10.2
479.20883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89896	0.5
59.01376	0.7
61.38165	0.7
61.98819	3.7
69.32988	0.5
69.54119	0.5
71.19072	1.3
78.95891	22.2
96.96952	0.7
101.64803	0.5
140.01164	4.9
152.99590	2.6
171.00580	0.8
196.03769	10.3
210.96596	1.0
214.04803	2.0
278.21924	0.8
281.24805	100.0
282.25131	6.3
437.36307	1.4
478.29315	38.8
479.29727	3.0
479.37250	5.4
485.42102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96692	0.5
59.01374	59.3
60.28065	0.5
61.98821	1.7
65.51768	0.5
66.11869	0.5
68.99810	70.5
71.01376	2.7
73.02930	1.4
78.95902	0.9
79.36784	0.5
85.02934	0.7
87.00867	1.8
87.04516	2.0
89.02415	1.1
93.03473	1.0
98.19897	1.2
99.00880	4.9
101.02435	100.0
102.02787	1.8
106.04226	1.7
107.05019	0.8
113.02440	1.3
119.03505	0.8
119.05058	2.7
123.90727	0.6
125.02404	1.7
137.06068	26.8
149.99478	0.6
161.02449	0.6
161.04501	0.6
168.00565	1.0
169.02908	0.9
171.04396	0.9
173.04584	0.7
179.03429	0.7
195.04527	1.2
197.02429	3.5
198.03233	2.5
199.03979	2.7
201.01984	0.8
201.05498	0.7
207.06552	1.0
211.03986	2.1
212.04747	4.5
213.05544	2.5
214.06157	0.7
223.03926	1.5
225.01898	5.5
225.05315	0.6
226.02612	2.1
229.05014	2.2
229.19528	0.6
230.02179	0.9
239.03473	9.8
239.07201	0.9
240.04237	10.7
241.04953	1.9
253.01378	1.5
254.05908	2.7
255.06610	7.4
257.04529	15.1
258.05115	0.8
266.02194	1.0
267.02884	2.9
268.03738	17.7
269.04178	1.3
277.12112	0.9
281.04477	2.4
283.06088	15.2
284.06436	0.8
285.04019	63.1
286.04416	3.5
287.09293	0.8
294.01764	0.6
297.07446	0.9
299.05594	1.6
300.06335	8.7
311.01862	1.6
315.08643	1.0
326.04269	1.2
327.05060	31.8
328.05353	2.2
341.06680	2.6
359.07718	3.1
360.14560	2.1
377.10101	0.8
415.08218	0.8
419.11325	6.8
419.24435	0.8
432.08057	2.7
447.10831	9.8
448.10727	0.9
464.11258	1.4
465.11392	0.8
479.13412	41.6
480.13785	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.1
59.98715	1.3
61.98820	8.7
65.00315	1.0
69.44798	8.1
71.01378	4.8
75.00867	32.3
79.72248	1.0
84.02157	3.4
85.02930	5.7
87.00867	38.0
89.00655	1.5
89.02422	3.3
108.02150	4.6
109.02944	2.9
113.02398	2.0
119.05013	2.1
120.99627	4.5
121.02956	5.1
122.03699	3.4
123.04516	6.8
124.43991	1.0
131.03461	1.3
133.02893	1.8
134.03722	1.5
135.04482	2.1
136.01616	2.4
136.05234	2.2
147.04504	1.8
148.01657	12.7
149.06059	28.6
150.03201	2.0
151.03967	3.7
153.09203	1.7
158.03696	3.0
159.04500	2.8
160.01643	1.8
161.02415	4.1
162.03152	3.9
163.02702	1.9
163.03984	25.2
171.13866	3.7
173.04599	1.4
173.06050	4.6
174.03163	2.0
175.03990	4.6
176.04753	39.7
177.05528	6.0
178.02699	2.2
179.07098	2.6
185.11784	9.3
188.04694	2.1
189.05548	2.3
190.06235	1.8
191.07112	100.0
192.07440	3.4
199.13402	6.7
203.07076	1.5
209.08145	7.5
210.03568	1.2
221.08090	1.7
224.04697	2.1
227.12949	6.2
254.05586	1.3
255.06461	1.4
258.09326	1.2
267.06583	3.6
269.04712	1.5
269.07898	1.6
284.06918	6.2
291.19247	1.1
297.11087	1.4
299.09116	4.7
311.09860	1.4
315.12372	11.1
316.09537	2.9
327.12311	19.1
328.12695	1.6
331.11334	1.6
345.13373	47.1
346.13739	3.2
357.13461	7.5
391.12149	49.8
391.17236	2.7
392.12396	4.4
443.15579	4.5
472.50830	1.4
479.13678	78.0
479.21173	58.1
480.13934	7.5
480.21527	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	479.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
57.03450	1.8
58.00571	3.7
59.01373	100.0
61.98809	2.4
69.03441	5.6
70.88922	4.4
71.01374	87.6
72.99299	3.3
73.02953	8.7
81.03441	4.5
83.01366	3.2
85.02938	12.8
87.00841	3.0
89.02437	92.0
90.19992	1.6
95.01389	2.5
96.95988	7.1
97.02951	16.4
99.00849	4.5
101.02433	22.3
113.02420	13.4
119.03459	2.9
120.99657	12.0
125.02434	50.6
131.03496	23.3
133.87924	2.0
143.03503	3.2
149.04536	38.1
191.05594	13.7
195.06688	1.9
214.38577	1.6
233.06650	8.4
251.80386	2.1
257.15387	1.8
293.08734	84.9
294.08981	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	479.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	5.6
58.73662	5.4
59.01374	86.4
59.38272	5.7
64.61903	6.7
67.01881	16.0
68.99805	32.8
71.01378	35.1
73.02951	14.9
85.02956	26.4
89.02448	7.2
93.03454	16.3
94.49184	6.5
98.20699	13.5
99.00876	7.3
101.02438	90.9
107.05005	8.0
107.98421	5.7
108.05343	6.6
111.00832	31.5
111.04543	7.9
113.02428	10.1
127.03995	49.0
137.02377	9.3
137.05977	7.1
139.00377	15.1
145.02914	6.9
152.01112	7.8
153.05589	11.6
165.01801	7.6
165.23766	6.5
171.02992	11.4
179.03456	20.4
197.04552	22.9
229.52356	7.9
291.08719	100.0
317.10297	17.8
317.26660	7.8
479.32080	94.1
480.33304	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	479.155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	76.3
61.98819	8.6
67.01881	12.7
68.99813	31.9
69.94630	43.7
71.01390	26.7
85.02933	16.3
101.02422	72.4
111.00884	26.3
113.02417	13.4
127.04009	48.2
139.00374	19.2
153.01941	16.6
153.05490	8.6
153.22371	7.7
179.03413	16.8
182.02205	21.1
197.04518	41.6
217.09381	7.6
239.05760	12.4
291.08716	97.9
317.10263	27.4
412.89835	8.9
479.32080	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	479.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
55.38858	0.1
57.03444	1.7
58.00585	0.8
59.01374	13.8
61.98812	0.2
62.64093	0.1
68.99818	0.2
69.03443	0.7
71.01375	22.6
72.01717	0.3
72.99310	0.8
73.02940	7.2
75.00862	0.4
81.03449	0.2
83.01380	4.4
83.01871	0.2
84.02145	0.2
85.02940	10.9
86.00102	0.5
87.00872	1.2
87.69259	0.1
89.02435	5.5
89.02991	0.3
95.01379	1.5
97.02942	0.7
98.19848	0.4
99.00877	3.1
99.04536	0.1
101.02432	14.8
104.18970	0.1
111.00860	1.0
113.02435	7.7
119.03491	0.5
125.02466	1.2
129.01904	0.6
129.06715	0.2
131.03535	1.1
133.03006	0.2
135.04527	0.3
138.51498	0.1
139.11250	0.2
141.01881	0.2
141.09219	0.2
143.03468	1.1
149.04521	1.1
155.10741	0.3
156.92856	0.1
159.02962	1.0
161.02364	0.4
161.04539	6.8
162.04810	0.2
167.10736	0.3
179.03532	0.3
183.07684	0.2
185.11798	5.3
186.12115	0.2
191.05600	0.2
199.13255	0.2
213.08794	0.1
215.05518	0.1
227.06787	0.3
233.06700	0.2
257.07745	0.6
291.06421	0.4
293.08728	0.2
329.16013	1.8
347.17044	100.0
348.17380	6.2
391.16028	1.6
392.16238	0.2
461.20026	0.2
479.21283	20.2
480.21555	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	479.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
57.03442	2.0
58.00594	0.8
59.01373	19.8
61.98816	0.3
69.03463	0.6
70.98605	0.3
71.01373	23.5
71.05019	0.3
72.01723	0.3
72.99306	1.3
73.02940	5.4
75.00858	0.4
81.03462	0.3
83.01374	4.8
85.02942	10.0
86.00097	0.5
87.00855	1.3
88.98784	0.1
89.02435	9.7
89.41288	0.1
95.01378	1.6
96.96027	0.1
97.02950	0.9
99.00868	2.8
101.02431	16.6
101.06101	0.1
102.02757	0.2
111.00872	0.7
113.02436	7.4
119.03481	1.9
124.01655	0.2
125.02433	1.4
127.07642	0.3
129.01942	0.6
131.03500	1.4
135.04514	0.3
139.11256	0.2
141.01927	0.3
143.03497	0.9
149.04530	1.2
155.10840	0.2
159.03009	0.6
161.02429	0.3
161.04538	2.5
167.10747	3.3
167.57558	0.2
168.11037	0.2
179.03474	0.2
183.13875	0.2
185.11807	4.4
186.12120	0.2
191.05594	0.6
199.13281	0.2
227.12697	0.2
233.06662	0.6
263.88239	0.1
293.08786	0.2
329.15964	2.0
347.17035	100.0
348.17383	6.2
391.15933	0.4
461.20200	0.3
479.21252	34.8
480.15253	0.2
480.21640	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	479.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03437	0.6
58.00595	2.8
59.01374	67.7
60.99314	0.6
61.98827	10.2
67.43930	0.5
67.48183	0.5
69.03464	1.1
70.39289	0.5
71.01376	54.2
71.61191	0.5
72.99297	3.8
73.02940	16.9
75.00859	1.2
78.98587	0.6
81.03458	0.8
83.01398	1.1
85.02941	6.6
87.00880	1.9
88.98790	3.4
89.02435	100.0
90.02763	0.7
93.03471	0.7
95.01381	1.3
96.96002	4.6
97.02938	1.2
99.00870	29.5
99.04501	1.2
101.02435	37.6
102.02762	0.8
108.02196	0.8
113.02441	11.2
115.04008	1.2
119.03494	6.4
120.99728	0.6
121.02922	0.7
123.00850	0.7
123.04520	0.7
125.02431	5.5
127.05114	0.5
131.03491	17.0
135.04535	0.7
137.09705	0.6
143.03520	2.7
143.04497	0.5
149.04539	68.9
150.03207	0.9
150.04913	1.3
151.04016	0.6
161.02431	1.3
161.04544	3.6
165.05634	0.6
179.03424	0.7
179.05679	2.5
180.04242	0.6
181.01698	0.5
191.05600	17.4
195.06532	0.6
209.08250	0.6
221.06610	3.6
233.06628	0.7
234.05417	0.5
251.07660	7.0
287.09201	0.7
293.08798	2.8
297.02646	0.5
311.09943	1.0
317.10333	1.2
347.17126	2.2
363.16373	0.7
379.16257	2.1
383.74005	0.5
394.08081	0.5
404.35208	0.6
479.21375	30.5
480.15518	0.7
480.21725	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	479.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22675	15.6
69.39751	100.0
73.37262	14.5
74.29014	13.5
87.00858	18.9
111.04491	30.6
161.61923	15.8
164.14561	16.9
260.73697	13.6
277.00439	13.4
310.42798	15.7
359.15103	21.2
497.27933	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	479.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04122	0.3
55.01871	0.6
56.68898	0.3
57.03431	0.5
58.37038	0.4
59.01371	100.0
60.01716	0.7
61.98827	0.4
62.17111	0.4
68.99805	5.9
70.62248	0.5
70.62582	0.9
71.01374	14.9
72.99300	1.0
73.02941	9.4
73.03338	0.6
83.01379	3.3
85.02949	3.5
86.06618	0.3
87.00880	1.0
89.02433	9.9
95.01389	1.2
99.00890	0.9
101.02430	21.9
104.58483	0.4
113.02432	8.5
114.02814	0.4
119.03466	3.6
124.01670	0.9
125.02448	2.5
131.03506	0.8
137.06046	2.3
143.03441	1.9
149.04585	0.7
149.99585	0.9
161.04538	3.2
168.00592	2.4
168.14232	0.4
179.05574	2.0
212.04797	0.4
225.01912	0.6
239.03476	1.1
240.04253	0.7
255.06725	0.6
257.04587	1.4
268.03790	1.5
275.20261	0.5
283.06195	1.7
285.04013	6.1
300.06418	1.0
313.23969	0.7
314.24252	0.4
315.24637	0.8
327.05069	3.2
348.67838	0.4
419.11591	0.6
419.24332	2.7
437.25491	2.6
447.10962	1.3
479.14182	5.5
479.26471	0.5
480.15125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31828	0.4
54.15808	0.4
59.01373	23.5
61.98807	1.2
66.03458	0.7
66.07578	0.4
68.13145	0.4
68.99798	0.8
69.66609	0.5
70.03764	0.4
70.04554	0.4
70.32467	0.4
70.89331	1.3
80.05035	0.5
92.05042	1.3
93.03442	2.5
94.02944	0.5
95.77149	0.5
100.04043	0.7
101.02397	1.3
106.04260	0.9
106.06596	1.5
107.05014	1.9
118.02967	1.3
118.06615	0.5
119.05016	7.3
120.03883	0.4
120.04559	5.0
120.08150	3.4
121.02901	0.5
121.06553	0.5
122.02467	7.7
122.06115	1.9
124.03990	0.8
131.03728	0.5
133.03032	0.5
133.05383	0.5
134.06104	4.7
135.04491	1.3
136.04002	0.6
136.07649	4.1
137.04839	0.6
137.06046	2.0
139.03925	0.6
144.25592	0.4
146.06087	9.8
148.04015	3.0
149.06052	0.6
150.05489	0.6
152.03474	1.3
152.07156	7.7
160.07700	2.1
161.02426	0.7
162.05602	0.9
163.06255	0.6
164.03458	0.5
164.05829	0.9
164.07127	13.2
164.08502	0.8
166.05031	1.2
166.08669	1.5
172.40752	0.5
176.07060	0.5
178.08707	40.2
178.59734	0.6
179.03516	0.6
179.07117	1.2
179.09032	1.6
180.06638	7.1
188.07132	3.3
192.10316	0.8
196.09744	10.0
197.08383	0.9
214.08710	1.0
220.06361	0.5
228.06583	1.2
228.10034	0.5
240.06709	0.6
240.10480	3.3
242.11835	3.0
243.12085	0.5
256.09760	10.7
258.11343	1.1
266.11810	1.7
272.10025	0.6
272.12891	3.1
274.14349	0.7
284.12918	3.0
286.10742	1.3
298.14465	2.3
300.12378	0.9
309.20602	0.7
310.10883	0.6
316.15512	3.3
328.11740	0.7
342.09601	0.7
342.13419	8.9
360.14456	100.0
361.14813	7.4
444.16315	2.4
480.13492	0.9
480.20212	16.3
481.20306	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	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96828	0.3
56.99524	0.3
59.01373	2.2
61.98823	100.0
69.03452	1.2
71.01380	0.7
75.00863	1.2
78.95905	1.3
84.26191	0.3
94.02981	0.4
95.05044	1.0
96.96049	0.4
101.02467	0.6
103.78427	0.3
114.91427	0.3
117.03462	0.3
119.04983	0.4
121.02954	1.2
126.05571	0.4
135.04500	0.5
137.06073	2.2
145.02957	1.3
149.50291	0.3
152.03517	5.5
152.99562	1.5
161.02492	0.5
163.04007	0.5
166.05106	0.9
170.40558	0.3
178.05101	0.3
179.03583	0.3
188.05710	0.4
196.06189	0.4
222.07668	1.3
234.07765	0.3
240.05206	1.3
280.08289	0.5
284.47516	0.3
286.50143	0.3
310.09293	2.6
342.11841	1.9
445.15186	0.9
480.18460	2.5
481.22546	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	480.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54818	0.3
53.90277	0.3
61.98822	100.0
69.29104	2.5
71.66683	0.2
115.17910	0.3
135.68945	0.3
147.53674	0.3
277.12564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80705	0.0
61.98818	0.4
62.96397	0.1
71.61375	0.0
78.95894	20.1
80.97448	0.1
91.87759	0.0
96.96947	0.4
104.97443	0.1
122.98532	0.2
134.98462	0.2
150.97963	0.0
151.98450	0.0
152.97742	0.0
152.99574	2.6
168.04288	3.1
169.04594	0.1
171.00575	0.1
179.71301	0.0
194.05838	0.1
224.06892	8.2
225.07318	0.2
237.22206	0.2
242.07947	1.9
243.08278	0.0
245.04312	0.2
253.21692	0.5
255.23250	100.0
256.23578	5.5
281.20859	0.0
391.22372	0.1
480.30850	28.4
481.25479	0.2
481.31262	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	480.309
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
51.19312	0.5
51.57439	0.4
55.92039	0.6
61.98820	16.3
67.28143	0.5
71.16241	1.0
71.36853	0.5
77.11909	0.5
78.95892	18.2
97.88960	0.5
122.00133	0.9
140.01169	5.6
152.99568	3.2
196.03760	9.5
206.58318	0.6
214.04799	1.9
255.23166	3.4
281.24750	0.6
283.26379	100.0
284.26694	7.3
480.30914	34.9
481.31451	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43009	8.9
59.01374	74.9
61.98830	23.0
65.11810	9.2
68.99836	21.7
69.03465	16.0
69.27463	20.8
69.27859	100.0
70.06611	11.1
71.01370	78.8
72.99310	21.0
73.02945	26.2
83.01369	14.4
85.02940	37.0
89.02422	59.3
93.03461	57.6
95.01404	16.5
95.05063	13.0
96.96014	11.8
98.20567	23.1
99.00893	15.0
101.02431	33.4
108.02176	40.4
109.02956	56.9
113.02443	37.4
119.05027	32.4
121.02934	61.7
121.06580	48.7
123.04503	53.7
125.02399	20.3
133.02913	18.6
135.04509	38.9
137.02432	39.8
139.00352	37.6
145.02956	27.5
149.02386	18.7
149.04625	12.2
151.03990	37.1
152.01088	11.6
155.10803	21.4
161.02441	37.8
161.04510	44.0
162.02989	12.3
165.05536	23.2
167.03458	35.4
173.04504	22.7
179.03499	13.5
191.03421	20.4
191.05608	51.3
209.04521	82.6
227.07114	26.8
271.08368	19.5
278.57809	10.7
293.08838	64.9
329.06326	16.0
385.72299	10.8
480.64426	35.4
481.10535	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23740	1.0
58.00587	1.5
59.01375	23.5
59.13738	1.0
61.98823	1.3
69.81990	3.0
69.82397	2.6
71.01375	16.9
73.02941	1.1
82.22421	1.3
83.01388	2.0
85.02950	7.8
89.02438	18.5
95.01383	2.8
96.96019	1.7
101.02425	8.0
113.02440	21.5
119.02763	1.3
119.03503	6.8
119.04983	6.9
134.03717	1.2
136.01625	3.1
143.03450	2.0
149.06102	1.6
151.04062	5.2
161.02440	3.5
161.04549	3.6
163.03990	2.9
169.85829	1.1
175.22409	1.1
179.05611	1.6
200.30449	1.1
209.06042	3.5
225.05579	1.8
232.56415	1.0
236.63992	1.1
237.05432	6.4
238.06261	1.8
252.07829	6.3
253.05127	5.0
253.08330	1.1
268.07480	5.2
275.21970	1.0
283.09653	12.3
299.11322	2.7
301.10574	1.8
445.17160	100.0
446.17291	8.3
481.14697	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	481.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65297	1.3
50.70264	1.2
57.03426	1.4
58.00594	3.2
59.01374	93.5
65.24303	1.2
69.89489	2.7
69.89883	3.2
71.01374	64.5
72.99301	5.4
73.02923	2.1
83.01375	1.4
85.02944	11.6
87.00863	1.9
89.02435	81.6
95.01378	5.0
96.95997	2.5
98.20545	1.7
101.02432	33.7
103.71497	1.2
113.02437	30.4
115.60657	1.3
119.03493	30.9
122.88653	1.3
131.03496	3.5
134.03746	17.4
136.01651	42.2
137.02322	1.7
143.03491	4.9
149.04486	2.8
149.06053	15.0
151.03990	57.8
161.02423	2.8
161.04549	7.0
172.55190	1.3
179.05586	10.8
191.05565	1.5
197.06056	5.7
208.05225	1.4
209.06052	11.9
210.06519	1.6
225.05537	11.0
236.04752	3.1
237.05547	45.5
238.06273	13.3
239.07036	1.7
251.07060	4.4
252.04094	2.1
252.07877	39.3
253.05026	33.4
253.08556	10.8
267.06604	3.3
268.04639	2.4
268.07385	36.5
283.09729	100.0
284.10056	4.9
301.10684	3.3
445.17206	32.6
446.17377	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
61.98816	2.1
69.75062	2.4
71.01378	3.3
73.02953	0.8
77.73209	0.4
85.02921	0.5
89.02442	3.3
95.01398	0.4
96.96009	1.5
96.96964	0.5
99.00868	2.1
101.02428	1.9
108.12614	0.5
113.02442	1.1
115.00323	0.4
125.31979	0.4
127.77171	0.4
131.03426	0.5
134.03696	1.1
136.01625	3.2
149.04420	0.5
149.06094	0.5
149.55273	0.4
151.04001	3.9
174.07596	0.5
185.06033	1.6
191.05573	0.9
194.49791	0.4
195.04440	1.6
197.06091	0.5
212.04715	1.0
213.05524	10.1
223.03937	1.9
224.04738	1.6
232.22505	0.5
239.03558	0.5
240.04277	1.2
241.05031	60.4
242.05334	4.0
256.07376	45.5
256.62561	0.4
257.07712	2.5
271.09717	100.0
272.10043	5.7
319.11807	25.0
320.12039	1.4
440.39142	0.4
481.19104	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61080	0.5
58.00586	0.6
59.01379	4.7
60.99279	0.5
61.98833	4.2
64.99442	0.4
67.01881	4.4
68.99808	2.2
69.03438	1.4
69.91393	2.5
70.24738	0.5
71.01364	3.9
78.95911	1.0
81.03466	0.6
83.05015	1.0
85.02953	1.6
87.00844	0.6
89.02419	1.2
89.81420	0.5
93.03448	24.1
94.03773	0.6
95.13363	0.5
96.95988	1.0
99.59148	0.5
101.02425	4.1
103.40628	0.5
109.02913	0.9
111.00857	0.9
111.04504	4.3
113.02446	1.8
119.04977	0.6
121.02946	34.1
122.02477	0.5
122.03274	0.6
123.17889	0.5
127.04069	0.6
133.02956	2.2
135.04518	3.7
137.02426	4.3
137.06049	2.1
146.96667	0.5
152.03561	0.6
152.99529	1.0
155.03481	4.1
159.80011	0.5
161.02423	4.5
167.03522	1.1
173.04524	100.0
174.04918	3.6
179.03513	5.7
191.05617	1.6
319.24088	0.5
411.61615	1.0
412.62158	0.8
446.18350	1.0
481.20721	7.2
481.65967	0.9
482.21133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
58.00602	0.4
59.01087	0.7
59.01374	10.6
61.98830	3.0
69.62132	2.7
71.01373	6.8
73.02939	3.2
75.00862	0.4
82.34359	0.3
83.05055	0.5
84.35758	0.4
85.02956	1.8
87.04498	2.5
89.02438	4.2
95.04984	0.6
99.97025	0.4
101.02425	4.0
108.83243	0.4
112.88551	0.4
113.02453	2.0
119.03493	1.6
119.05020	7.1
119.08669	0.5
132.20607	0.4
133.02885	0.5
135.08131	3.6
137.02460	0.5
137.06117	1.9
137.09711	16.4
138.09988	0.4
139.11339	0.7
152.99590	0.8
155.10760	74.7
156.11098	2.5
161.02361	0.6
167.10684	0.4
167.99918	0.4
169.12332	3.1
181.08698	4.2
199.09721	16.2
200.10121	0.7
213.11340	1.3
241.10771	3.9
250.84204	0.4
299.11249	0.4
332.94479	0.5
362.24658	0.4
419.22830	1.3
446.18048	0.5
481.20724	100.0
482.21051	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	481.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04420	0.2
55.16798	0.2
55.35698	0.2
57.03438	0.7
57.95697	0.2
59.01366	3.5
60.99295	0.5
61.76630	0.2
61.98817	0.4
65.03967	0.3
67.01884	4.6
67.02244	0.2
69.03455	1.0
71.01370	3.5
71.05004	0.2
71.61873	0.3
74.02415	0.2
78.91885	0.6
79.82329	0.2
80.91656	0.2
81.03452	0.7
82.91637	0.2
83.04996	1.0
85.02930	0.8
87.00858	0.4
89.02417	0.3
89.97794	0.2
93.03445	25.1
94.03776	0.5
96.95994	0.4
99.00883	0.2
99.04513	0.3
101.02436	0.3
109.02949	0.9
111.00865	1.1
111.04504	4.8
113.02423	0.5
119.04995	0.2
121.02940	34.6
122.03299	1.0
127.03977	0.3
133.02914	0.3
135.04555	0.3
137.02434	4.0
137.06100	0.2
138.15773	0.2
152.99550	0.2
155.03462	4.4
158.01715	0.2
161.02420	0.7
173.04520	100.0
174.04863	2.7
179.03438	0.4
191.05615	1.0
206.92297	0.2
275.12747	0.4
299.84418	0.2
319.24185	0.8
349.25455	0.2
368.06958	0.2
375.23615	0.2
379.03125	0.2
462.23013	0.2
481.20688	6.3
482.20923	0.6
483.19983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91104	0.2
57.69176	0.2
59.01365	1.2
61.98823	1.8
69.29255	1.0
69.29678	1.1
71.01363	0.5
74.79723	0.2
85.02946	0.3
88.92399	0.2
89.02454	0.2
93.03460	0.6
95.05020	0.8
101.02468	0.4
103.24504	0.2
108.02169	0.3
109.02938	0.2
117.03414	0.2
120.30113	0.2
121.02922	0.5
122.03726	0.8
123.04510	73.3
124.01659	0.3
124.04826	1.8
135.04485	1.1
137.02400	0.4
145.02927	0.8
146.01714	0.2
153.05556	100.0
154.05879	3.1
154.16000	0.2
161.02422	0.6
163.04001	0.2
183.10277	0.6
191.54547	0.2
195.06465	0.4
297.09711	0.9
315.10852	1.2
388.65421	0.2
445.15005	1.0
481.21109	1.6
483.62454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03462	2.0
58.00576	3.0
59.01375	40.2
61.24443	1.0
61.98825	7.2
65.68900	1.0
69.03443	3.4
71.01376	34.9
71.62644	1.6
72.99315	1.1
73.02943	4.5
81.03436	1.3
83.01393	3.8
85.02939	12.1
87.00873	2.0
87.04494	1.3
89.02436	22.9
93.03438	3.6
95.01358	2.9
95.04990	1.6
99.00879	1.7
101.02435	19.3
107.04997	1.8
108.02180	4.8
109.02973	6.7
109.03571	1.3
109.06626	1.3
111.00901	1.1
111.08141	2.5
113.02438	17.0
119.03487	7.9
123.00864	4.7
123.04514	63.6
124.01643	7.6
124.04878	1.7
127.07651	7.9
133.02951	4.6
134.03705	3.2
135.04512	82.5
135.08139	1.4
136.04858	2.2
137.02426	7.9
137.06096	6.4
139.03984	8.2
139.11263	5.2
143.03526	1.3
145.02913	1.3
152.01135	5.5
153.01956	4.7
153.05559	86.9
153.09224	4.4
154.05917	3.3
155.07123	4.8
160.01659	2.1
161.02446	11.0
161.04478	2.9
162.02719	1.8
165.09172	1.9
173.04578	2.8
175.03963	3.0
176.04286	1.8
179.03450	3.5
183.10234	17.0
197.08182	2.4
197.11806	4.1
225.11348	6.6
231.46532	1.4
247.34532	1.3
297.09756	44.2
298.10187	1.4
299.11218	2.9
311.09567	2.1
311.59570	1.5
315.10828	100.0
316.11102	5.4
337.09076	2.0
338.09528	1.9
359.13763	1.2
445.56360	1.2
480.64764	3.1
481.21274	48.8
482.21201	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	481.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03452	2.2
58.00597	2.2
59.01373	58.9
62.00945	0.4
69.03465	2.0
69.38023	2.2
69.38445	1.2
71.01375	55.0
72.01732	0.5
72.99297	2.8
73.02937	16.3
75.00871	1.9
78.95921	0.4
81.07093	0.5
83.01388	3.3
85.02938	10.2
87.00880	2.5
87.04514	1.1
89.02435	65.3
90.02798	0.6
93.03448	1.6
95.01354	2.2
96.96053	0.5
97.02939	2.9
98.20709	0.5
99.00867	23.1
99.04514	1.1
101.02432	32.3
101.62740	0.4
102.02744	0.5
111.00901	0.4
111.04517	0.9
113.02431	13.7
115.03998	1.6
119.03491	8.2
119.04997	1.9
123.04493	0.5
125.02435	7.2
131.03497	9.5
135.04535	1.4
137.02379	1.2
143.03477	2.1
149.04535	29.9
150.04910	0.6
155.03474	2.2
159.02953	1.2
161.04546	6.0
163.04016	2.3
170.98337	0.4
179.05595	1.8
187.13373	4.8
191.05592	8.4
198.01819	0.4
221.06641	2.1
223.52731	0.4
233.06638	3.1
251.07791	3.1
278.71222	0.4
293.08850	3.5
301.07098	0.7
319.08163	0.6
349.18597	20.1
350.18967	0.9
406.78122	0.5
455.53995	0.4
481.22879	100.0
482.23257	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	481.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03432	1.8
58.00575	1.9
59.01370	33.1
61.98811	1.1
71.01373	47.4
71.61746	0.5
72.99298	1.6
73.02934	11.4
78.95889	3.0
83.01379	3.0
85.02935	11.3
87.00877	3.3
89.02431	41.1
96.96004	1.1
97.02908	1.3
99.00867	2.5
101.02432	21.1
113.02431	5.9
117.03459	1.2
119.03478	1.8
119.04998	3.3
123.04514	4.6
125.02422	1.8
131.03494	22.7
135.04547	0.8
141.12837	1.2
141.47882	0.6
145.02924	2.5
149.04541	20.0
152.03529	0.8
152.99576	5.4
153.05571	4.6
161.02443	1.2
163.03970	1.1
167.06839	0.6
169.12273	1.7
179.03455	0.8
187.13385	3.0
191.05582	13.3
230.57204	0.7
288.23013	0.8
349.18686	1.2
445.14862	2.6
481.22797	100.0
482.23080	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	481.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36275	1.8
56.53275	1.8
59.01371	12.1
61.98814	5.2
66.48517	1.6
68.99567	7.2
71.01388	5.0
71.62064	2.0
71.62428	1.8
78.95900	11.8
78.98564	2.7
79.95726	4.7
80.96509	37.0
94.98077	9.7
96.95995	2.3
101.02477	2.2
106.98071	3.0
107.08671	4.7
112.98558	8.5
119.08658	7.2
125.02377	2.2
125.09673	2.1
134.04701	3.3
134.97578	4.0
148.99188	3.1
151.04076	1.7
152.98575	3.2
164.98599	7.4
166.22733	1.6
171.10246	30.9
185.11790	2.7
197.11821	2.3
225.00699	8.2
229.19608	6.6
261.18698	7.1
273.18509	16.3
279.19699	3.0
291.19571	19.9
307.15356	3.3
309.20670	100.0
310.21005	5.7
372.52899	2.1
406.27502	2.3
407.27512	10.0
427.24774	2.2
445.25851	76.8
446.26096	6.3
463.29819	2.0
481.24725	80.8
481.31653	4.9
482.25174	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	481.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55673	0.3
57.03454	0.3
59.01371	0.8
61.98815	1.2
63.96228	0.5
69.03451	0.5
71.01366	5.0
71.61548	0.5
72.99313	0.4
73.02940	1.1
78.95895	0.8
78.98582	4.1
79.95719	7.1
80.96505	50.7
81.03425	0.6
83.01385	0.3
85.02936	2.6
87.00846	2.0
94.98071	11.4
96.95965	0.7
97.02924	1.2
99.00854	0.4
101.02421	1.6
106.98058	2.0
122.97556	2.1
125.02437	2.3
127.04012	0.6
134.97572	3.8
136.99132	1.2
146.97514	0.4
148.99113	3.6
152.98610	4.3
152.99706	0.5
164.98604	10.7
175.18991	0.4
175.57455	0.3
184.59439	0.4
188.98506	0.6
206.99641	1.7
225.00716	11.7
225.02953	0.6
481.24680	100.0
482.25000	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	481.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00704	0.5
56.42387	0.6
59.01367	1.1
61.98806	2.4
63.95456	0.5
70.70102	0.5
71.01378	5.4
73.02934	1.5
78.95894	1.8
78.98599	4.1
79.95733	5.9
80.96510	52.8
81.03475	0.9
85.02930	2.2
87.00847	1.9
94.98077	11.8
96.95964	0.6
97.02930	1.1
98.20628	1.4
101.02398	1.8
106.98077	2.3
122.97568	2.7
125.02409	2.4
127.04012	0.9
134.97591	3.5
136.99051	1.0
148.99153	5.1
151.03949	2.0
152.98624	5.4
164.98604	11.1
164.99907	0.4
206.99609	1.7
225.00728	10.3
251.19969	0.7
293.21188	1.1
351.13123	0.7
364.84906	0.6
481.24695	100.0
482.25034	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	481.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	16.9
63.87398	8.7
69.88679	6.6
70.88407	16.3
71.01372	16.8
72.09851	7.1
74.47091	7.6
85.02957	9.3
87.07304	7.4
92.18414	7.9
92.36051	7.1
102.43813	8.0
113.20827	7.1
143.98071	7.0
170.12181	9.5
199.01433	8.0
283.26370	100.0
325.27322	11.5
427.40051	8.8
481.35434	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	481.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77028	5.2
61.98824	100.0
63.62371	5.5
64.97344	5.9
69.40284	22.5
69.40719	21.5
78.00116	4.9
79.15234	5.6
87.47265	5.5
105.39469	5.2
129.37210	5.2
264.53421	5.8
281.24765	93.1
302.08041	5.6
408.19702	5.0
481.29010	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	482.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
61.98824	100.0
67.72637	1.0
68.91449	1.0
71.07011	2.7
72.99564	1.0
75.60471	1.0
86.26717	1.1
100.94841	1.1
103.76338	1.2
125.35069	1.0
282.69922	1.0
340.45029	1.0
370.51572	1.2
397.20071	1.1
489.00009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77959	0.8
54.39035	0.7
59.01376	3.9
61.98824	100.0
62.63758	0.7
67.01886	1.3
68.99803	3.2
70.62859	1.8
70.63232	1.5
77.71393	0.7
80.48321	0.7
84.48702	0.7
85.02937	2.3
93.03431	1.0
101.02434	4.4
111.00865	3.8
111.04559	0.8
127.03989	3.6
139.00362	1.8
171.03040	1.5
179.03394	1.9
204.57074	0.8
258.66162	0.7
275.09152	0.9
291.08701	11.8
297.83060	0.9
317.10147	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	482.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71382	0.2
60.00900	0.2
61.15435	0.2
61.98821	100.0
64.92496	0.2
70.34980	0.6
76.34263	0.2
78.95906	0.7
80.95678	0.2
87.42507	0.2
152.99568	1.5
171.00584	0.2
176.73170	0.2
198.52365	0.2
218.36726	0.2
227.03276	0.3
255.23248	10.4
483.27194	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	483.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03236	0.8
59.01353	1.9
69.33217	7.2
83.01369	1.6
89.02409	0.9
101.02425	1.6
102.23212	0.8
107.01380	0.8
113.02420	0.8
123.04550	0.9
133.02928	3.3
134.03723	2.5
135.04526	1.2
137.02316	0.7
149.02455	1.0
151.00360	2.7
160.01601	1.4
161.02365	1.4
165.53075	0.8
175.03981	2.8
179.03459	1.0
193.05081	0.8
199.04005	0.8
213.05481	0.8
222.68401	0.7
235.05911	0.9
253.06480	0.7
256.03745	2.4
284.03220	44.3
285.04001	90.9
286.04352	6.3
307.10226	1.7
327.05103	2.1
447.09268	100.0
448.09561	8.0
483.15262	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50407	0.5
59.01368	1.8
59.40881	0.8
61.98807	1.1
65.00298	0.7
71.01365	0.9
71.62503	0.7
73.19045	0.7
85.02933	0.6
88.98807	6.4
89.02414	0.8
98.53529	0.5
101.02378	0.9
107.01321	0.7
111.04513	0.6
113.02405	1.3
117.03408	0.6
119.03395	0.9
124.01669	0.9
133.02902	6.1
135.04512	0.9
137.01418	1.2
137.02423	18.0
145.02919	2.7
149.02321	1.0
151.00345	3.1
153.09244	0.8
160.01636	1.3
161.02455	0.7
175.03969	4.8
197.08138	1.6
198.08548	0.8
199.03995	1.2
201.01999	0.8
217.04935	1.2
230.73491	0.6
241.04987	0.8
243.02992	1.1
284.03247	1.8
285.04004	100.0
286.04337	5.0
327.05002	0.8
439.05707	0.8
447.08759	13.6
448.09726	1.2
458.91470	0.8
483.18701	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	483.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25978	0.8
59.01379	1.6
60.99302	16.6
61.98823	14.6
66.91106	0.9
68.10638	0.8
69.40826	1.3
69.41229	5.3
70.19405	0.7
70.67448	0.7
71.01369	0.9
85.02921	0.8
88.98798	100.0
92.93695	0.8
93.03447	2.6
98.19847	1.1
122.28576	0.8
133.02969	0.9
135.04514	1.5
137.02455	3.3
139.16167	0.8
140.90828	0.9
151.00304	1.0
186.14952	0.8
240.20319	0.9
284.03210	1.3
285.04016	14.7
286.04321	1.0
316.04022	0.8
327.04984	1.6
447.09079	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	483.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04789	0.2
59.01380	0.4
60.50497	0.2
71.01373	0.3
75.55171	0.2
78.95891	2.7
79.77861	0.2
79.95725	2.7
81.81054	0.2
96.96001	100.0
96.96889	4.6
97.95947	0.4
98.19933	0.8
98.20631	0.5
109.65437	0.2
135.04503	0.6
161.02396	0.7
281.41498	0.2
315.64691	0.2
422.10583	0.3
483.14990	0.3
483.21295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	6.4
59.01367	2.1
63.19708	1.2
68.99570	6.3
70.46416	2.8
70.46810	2.9
74.02476	10.6
78.95897	4.3
82.02979	2.1
83.01370	2.8
83.81981	1.3
85.02924	1.3
87.05652	7.3
93.05280	1.3
96.04523	7.7
96.95992	1.8
96.96914	2.8
97.04050	6.4
98.02441	3.7
99.05618	9.4
100.00393	1.6
101.02419	1.5
108.04546	4.9
110.02438	2.4
112.04024	11.1
112.07676	8.9
112.98563	10.9
113.03585	6.2
122.06091	2.1
124.04005	5.5
125.03549	3.3
125.04822	2.1
126.05553	2.8
127.05110	8.2
127.95294	1.8
131.04567	2.1
135.04436	1.4
137.07190	4.0
140.07152	13.2
143.04625	3.9
152.03481	3.9
155.08228	21.5
161.02347	1.6
165.06651	15.4
166.04997	1.7
169.06178	2.4
177.03377	1.4
181.06129	1.5
183.07712	28.8
186.02330	1.5
215.06627	2.8
221.11783	2.0
225.05167	2.0
227.06693	82.9
228.07182	1.9
261.05447	100.0
262.05832	2.1
313.60608	1.5
409.63132	1.4
433.02527	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	483.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73509	1.2
58.02956	6.8
59.01374	3.1
61.98806	1.8
65.98237	1.3
67.01884	1.5
69.60835	2.6
69.61230	8.5
69.82847	1.3
74.02458	13.1
78.95895	7.9
79.22197	1.5
82.02990	4.7
83.01364	3.1
83.70161	1.2
84.00911	1.5
87.05639	6.0
90.00175	1.5
96.04539	5.9
96.96007	5.6
96.96951	6.5
97.04056	6.3
98.02466	2.8
99.05633	11.4
99.28115	1.7
101.00680	2.5
101.02447	3.4
103.45460	1.6
108.04552	5.0
110.02509	2.0
112.04070	6.5
112.07700	7.9
112.98497	2.9
113.03539	7.1
113.97033	1.3
114.05631	1.8
122.06118	2.2
124.04051	4.7
125.03550	2.2
125.04781	3.2
126.05586	3.2
127.05131	9.7
131.04578	1.7
133.02954	2.1
135.04527	2.7
137.07204	3.4
138.05614	2.1
140.07161	12.3
142.03239	1.5
143.04622	3.4
152.03519	5.6
155.08235	19.7
160.00755	1.4
161.02441	1.9
165.06686	13.5
169.06242	1.8
183.07732	33.1
200.38957	1.5
221.11829	2.0
225.05028	2.1
227.06699	82.1
228.06943	2.8
255.10599	1.7
261.05457	100.0
262.05719	3.9
308.10959	1.5
461.65958	1.8
484.12714	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	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.7
58.65095	0.5
59.01371	100.0
60.01731	0.5
61.10251	0.7
61.98824	9.4
69.50376	2.7
69.50806	1.5
71.01375	4.2
73.02937	4.1
78.95903	1.5
79.05512	2.8
81.03458	1.0
83.01408	0.7
84.47793	0.6
85.02951	2.2
89.02435	4.5
91.05572	0.9
93.03453	2.4
95.01387	0.5
96.95945	0.6
98.20575	1.4
101.02435	4.0
107.05014	1.1
113.02441	4.0
119.03505	1.8
125.58896	0.6
128.60971	0.6
135.04538	0.7
139.07635	0.8
142.07964	0.6
143.03517	0.7
143.08661	2.2
145.02907	0.8
155.08638	1.2
157.10217	3.3
161.04581	1.5
170.07358	7.0
183.08163	2.2
185.09689	27.8
186.10052	1.3
186.70988	0.6
202.09949	0.8
209.09856	0.7
217.12294	8.2
243.10258	0.6
259.13397	0.7
261.11267	49.1
262.11636	3.4
301.29263	0.6
303.12253	0.7
352.04703	0.6
460.40121	0.8
483.23016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03263	0.6
59.01372	100.0
61.98818	3.0
69.03427	0.7
69.42183	3.2
69.42610	1.9
71.01378	5.7
71.05009	0.6
72.99304	1.1
73.02931	7.6
76.62351	0.6
78.95899	1.7
79.05516	5.1
80.02669	1.5
81.03452	1.5
83.01385	1.1
85.02949	2.5
85.81772	0.6
87.00873	0.8
89.02441	3.6
90.72365	0.5
91.05529	1.8
93.03443	4.6
95.01369	1.6
95.05052	0.8
96.96973	0.6
98.20631	1.1
101.02453	4.1
107.05034	2.7
111.00975	0.6
113.02433	5.8
113.06094	1.0
119.03484	2.3
119.04987	0.9
133.06625	1.3
135.04520	5.1
139.07661	1.8
142.07819	0.8
143.03479	0.7
143.08669	6.1
145.02922	1.1
155.08644	1.5
157.10239	5.1
161.04576	1.0
163.03999	0.7
169.06532	0.9
170.07356	12.6
171.07809	0.8
179.05663	0.6
183.08153	4.3
185.09702	51.1
186.10052	2.0
199.11310	0.7
202.09949	1.3
217.12300	14.3
218.12650	0.9
227.10841	0.8
229.08670	1.6
243.10202	0.9
259.13354	1.3
261.11276	82.7
262.11584	4.9
273.74277	0.8
303.12421	1.5
447.18857	0.7
483.29407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1868
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
57.03440	0.6
59.01091	0.8
59.01373	15.7
60.99305	1.1
61.98826	5.3
69.54700	3.9
71.01374	5.0
73.02928	1.7
81.03434	1.4
83.01323	0.6
85.02944	4.0
88.98800	6.6
93.03413	0.6
95.01377	2.5
98.19891	1.2
101.02418	1.5
108.02162	47.0
108.59662	0.5
109.02945	51.0
110.03282	1.5
113.02424	1.8
113.32223	0.6
120.99586	0.9
123.00859	2.7
123.04464	1.6
124.01627	0.9
133.02963	0.7
134.03650	0.9
135.04504	1.8
137.09677	1.3
139.03967	1.0
151.03975	1.1
152.01134	47.7
153.01924	28.4
153.05562	0.7
154.02248	0.9
155.10760	2.2
161.02438	1.5
161.04503	1.0
163.03944	1.8
179.03464	1.2
185.11812	2.7
199.09731	1.5
276.76355	0.7
285.04034	1.9
301.13217	0.7
309.81488	0.5
315.07199	1.3
447.09100	0.8
483.18640	100.0
484.19067	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	483.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	24.4
61.98803	12.7
63.48186	3.9
69.27351	25.3
69.27776	16.2
71.01378	24.6
73.02921	8.3
85.02943	14.1
86.58738	4.5
89.02450	10.9
90.47486	5.0
99.00880	5.3
101.02420	17.2
113.02422	17.6
114.08030	4.3
122.70765	4.9
126.15549	4.3
131.21069	4.9
139.00366	5.6
161.04498	10.5
164.29716	5.2
176.70767	4.2
179.03302	5.0
190.93022	5.2
285.03900	8.4
291.18057	11.0
315.18015	8.6
423.22281	14.1
447.09256	9.3
447.16513	7.4
447.22372	100.0
448.22336	5.1
483.19995	82.4
484.20822	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	483.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66922	4.0
59.01369	32.6
61.98817	20.6
63.42668	4.9
70.05613	15.7
71.01380	27.1
73.02949	6.0
77.94885	4.1
78.95889	27.4
81.30568	4.5
85.02927	10.7
89.02454	8.3
93.03438	11.6
95.06646	4.8
96.96001	86.6
96.96940	24.3
98.19869	5.9
101.02443	14.8
109.02892	5.6
113.02431	15.3
119.03456	5.1
119.04998	13.9
121.02948	8.8
133.02922	6.7
135.04477	5.6
137.02472	4.9
152.09923	4.9
152.84143	4.3
161.02460	14.6
161.04559	6.5
163.03978	15.5
173.04533	43.5
193.74831	4.5
205.12225	14.4
260.03281	6.4
287.59973	4.8
337.09161	15.2
341.54834	4.5
447.16696	6.2
447.22330	68.7
448.22202	7.6
483.19714	100.0
484.14032	9.2
484.20401	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	483.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34742	0.6
59.01373	100.0
60.01720	0.6
61.98828	4.3
71.01383	1.5
71.15498	1.4
72.99310	1.8
75.00865	16.6
78.54285	0.5
78.95903	2.4
82.01304	0.6
89.02458	2.1
96.96980	1.8
99.00890	0.9
106.00216	0.6
118.79192	0.6
132.91840	0.6
135.02983	19.9
142.29364	0.6
142.86432	0.6
163.02530	0.8
171.10303	0.9
179.14412	0.6
194.02541	0.6
195.13914	3.1
199.07381	0.5
211.13493	0.7
221.74384	0.7
223.13281	2.8
255.23175	0.7
256.13293	0.9
270.02005	0.7
275.20212	3.2
293.21191	64.5
294.21509	2.8
322.06238	0.7
483.30759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05249	0.6
50.65594	0.6
52.89994	0.7
59.01371	100.0
60.01702	0.8
61.98820	2.2
63.42202	0.7
71.01382	1.9
71.41633	1.1
72.99316	1.4
75.00861	13.6
78.95896	3.4
87.51920	0.6
89.02437	1.6
93.79844	0.7
95.53965	0.6
95.84743	0.6
96.96007	1.3
96.96963	2.0
99.00890	1.2
101.02428	0.8
110.02083	0.6
121.10242	4.2
135.02972	17.6
137.07896	0.6
163.02370	0.8
171.10237	11.5
172.10620	0.8
190.08684	0.7
217.08081	0.6
231.21162	0.9
249.10722	0.7
275.20105	22.7
276.20596	1.5
293.21185	33.5
294.21582	2.0
304.05869	0.8
447.09357	0.7
483.30191	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	483.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
57.03434	3.3
59.01371	44.8
61.98825	2.3
66.26691	0.9
71.01372	40.2
72.99301	2.3
73.02940	13.5
78.95898	1.8
80.94915	1.1
82.79925	0.9
83.01379	9.4
85.02943	24.4
86.00112	1.0
86.06064	1.1
87.00872	1.8
87.36563	0.9
89.02431	13.4
93.03499	1.1
95.01387	3.7
96.95979	1.7
96.96968	1.1
97.02932	1.2
99.00847	5.4
101.02430	41.7
111.73595	1.1
113.02435	18.8
114.54038	1.0
119.03500	5.2
123.61906	1.0
131.03581	1.3
135.04501	1.9
143.03510	1.5
159.03021	3.3
161.04562	10.4
173.04607	1.4
174.05521	2.3
288.09045	1.6
291.18094	100.0
292.18362	6.5
303.11212	1.5
376.14951	1.1
423.22293	61.4
424.22528	3.5
433.99503	1.0
483.17096	6.1
484.18051	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49205	0.4
54.41631	0.5
59.01373	100.0
60.01708	0.9
61.98820	3.3
66.38367	0.3
68.83154	0.4
69.43717	2.8
71.01378	1.3
72.99313	1.3
73.02999	0.5
75.00864	15.8
78.95884	1.9
85.02956	0.8
89.02419	2.5
96.96008	1.0
96.96957	1.1
99.00844	0.4
101.02469	0.4
117.01926	1.1
118.94688	0.4
135.02985	15.9
151.18330	0.4
161.02353	0.5
163.02409	0.7
171.10182	1.0
174.34337	0.4
178.20944	0.4
178.42351	0.4
179.14369	0.6
195.13821	2.8
205.12268	0.5
223.13377	2.7
239.96097	0.4
255.23242	0.5
256.13208	0.6
260.03082	0.5
275.20087	3.0
293.21185	51.2
293.78705	0.4
294.21515	3.2
325.35373	0.4
404.06580	0.4
444.99200	0.4
483.30493	0.7
483.36853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06027	0.3
59.73805	0.3
70.88741	0.5
70.89090	0.8
78.95898	9.3
96.96941	1.0
152.99576	18.3
171.00656	0.9
211.42825	0.3
227.03206	3.8
245.04236	1.0
255.23262	100.0
256.23615	5.2
330.53299	0.4
483.27237	42.9
484.27536	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	483.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21995	4.3
71.23051	4.6
71.25048	7.0
78.95898	11.1
85.07931	4.6
96.38371	4.7
106.58372	4.9
111.30214	4.4
116.27953	5.2
130.06816	5.3
132.84366	5.9
152.99538	13.0
165.52463	4.8
255.23251	100.0
256.23572	11.2
261.41971	5.0
283.26300	38.0
483.21274	7.1
483.26974	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12132	0.3
59.01366	1.0
59.22028	0.2
62.96408	1.7
78.95892	100.0
82.70573	0.3
87.84781	0.3
95.96174	1.1
96.96948	71.5
98.19853	0.7
115.04652	0.3
122.00143	0.8
122.98520	0.9
137.06056	1.2
140.01172	9.4
161.02446	0.3
186.60297	0.3
190.11089	0.3
230.93390	0.3
260.03229	23.0
261.03568	0.9
304.02252	3.3
304.05881	11.0
320.92780	0.3
346.06824	0.5
401.75894	0.3
403.26746	0.3
440.11234	0.3
449.15314	0.3
452.11044	0.8
484.13693	24.4
485.14090	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.8
59.01373	100.0
61.98829	10.1
69.26510	15.4
71.01372	24.5
72.99312	2.2
73.02943	6.8
75.00869	2.8
78.95898	2.9
83.01387	3.1
85.02945	6.6
87.00854	2.4
89.02421	16.3
92.13836	1.8
93.03439	4.3
96.96014	7.5
98.20659	3.4
99.00878	3.1
101.02433	17.6
113.02466	7.7
119.03400	1.7
125.02406	2.1
127.49695	1.8
131.03448	2.4
135.04539	2.6
137.02437	3.8
149.04530	11.1
161.02380	2.0
161.04599	3.9
173.04503	4.9
216.78679	1.8
323.18369	1.8
399.23828	2.2
450.43652	1.6
485.23590	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	485.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76264	0.4
59.01375	1.4
61.98816	0.6
65.55386	0.4
71.01373	0.9
71.05018	1.2
73.02948	0.6
80.02651	0.5
95.05017	0.6
96.95982	0.5
97.06580	1.0
113.06088	0.4
123.08150	0.7
151.07542	0.5
153.09146	0.7
171.10347	0.8
226.60460	0.4
285.04028	0.8
391.30203	0.6
393.31735	0.6
395.29492	0.8
403.29990	2.3
405.31683	1.6
406.28610	2.1
421.31122	3.5
423.27661	0.7
423.32727	8.1
424.33005	0.9
425.30347	0.6
437.30936	0.6
439.32162	5.5
441.33868	4.3
447.09183	0.7
449.30511	4.4
450.30902	0.5
455.31754	1.3
465.29773	0.6
467.31601	25.7
468.31940	3.2
485.32666	100.0
486.32986	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	485.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00105	0.2
51.12159	0.2
59.01346	0.5
61.98804	0.3
68.97339	0.2
70.65404	0.6
72.20847	0.2
76.92779	0.3
107.64673	0.2
123.39600	0.2
232.03098	0.2
239.10318	0.2
249.18561	1.8
253.09309	0.4
295.22787	0.5
363.26816	0.3
391.29837	0.3
409.31204	1.1
421.30991	0.6
423.32782	0.5
437.30511	2.9
438.30502	0.4
439.32153	0.7
441.33746	0.6
455.31577	65.6
456.31870	6.7
467.31351	0.4
485.32639	100.0
486.32983	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	485.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.8
70.03050	1.2
71.01391	0.5
71.05026	0.6
71.15591	0.3
73.02942	0.6
74.69368	0.3
87.55329	0.3
88.01131	0.3
97.06591	0.4
102.17421	0.3
114.06101	0.3
118.01445	0.4
138.63438	0.3
165.09142	0.4
279.62854	0.3
305.21228	0.4
371.29321	0.4
377.28299	0.6
393.31921	1.5
394.31879	0.3
403.30054	0.8
405.31720	0.5
406.28656	1.0
407.29395	0.6
411.32770	0.4
421.30997	3.8
423.32617	6.7
424.32944	0.9
425.30609	0.9
437.30670	0.7
439.31979	1.3
441.33826	4.8
442.33832	0.5
455.30582	0.4
465.29776	0.7
467.31564	27.4
468.31790	2.8
485.32657	100.0
486.32962	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	485.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75547	0.2
57.03451	0.5
59.01370	2.0
60.39155	0.2
66.09477	0.2
71.05017	1.7
71.32728	0.5
148.53528	0.2
223.56876	0.2
305.21231	0.9
307.97305	0.2
323.23807	1.2
369.27798	0.6
391.30347	0.5
393.27768	0.4
405.27951	0.9
407.29822	1.1
409.27097	1.2
421.31183	0.6
423.28812	1.1
423.32849	1.1
425.30615	1.8
437.30588	0.9
439.32120	53.8
440.26926	0.4
440.32520	5.3
441.33856	3.2
467.31824	1.5
485.32666	100.0
486.33020	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	485.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39936	0.2
58.00574	0.3
69.27567	0.2
70.92609	0.6
71.04992	0.3
72.99256	0.3
86.46467	0.2
97.06507	0.3
97.76595	0.2
166.60170	0.2
215.14290	0.2
237.31664	0.2
244.77483	0.2
289.17871	0.2
305.21222	2.5
384.22900	0.2
391.26459	0.3
397.31458	0.2
405.27774	0.5
409.27420	3.4
411.28622	0.3
421.30933	1.0
423.28586	1.6
425.30334	1.7
439.32068	59.6
440.32437	6.5
441.33685	3.9
442.33969	0.5
467.32645	0.2
485.32642	100.0
486.33023	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	485.3628
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
54.27625	0.2
60.99281	0.5
68.97445	0.3
69.41198	0.5
69.41607	1.6
71.05009	1.1
85.06600	0.3
97.06582	5.7
191.14371	0.7
298.48929	0.3
373.25406	0.5
374.26062	1.0
375.27075	0.3
377.28152	0.5
389.28494	2.4
391.30005	3.5
392.30560	0.5
405.26471	0.6
405.31570	7.2
406.31998	0.7
407.33136	10.8
408.33447	1.1
409.34152	0.3
423.28659	0.7
437.30606	0.6
439.31885	2.1
441.33679	9.7
442.33951	1.0
451.32108	38.4
452.32407	4.2
453.33664	100.0
454.34015	10.2
471.34720	4.0
472.34921	0.5
485.36591	19.4
486.36832	2.7
497.32629	7.3
498.32852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99797	0.9
55.32297	1.0
59.01375	10.9
61.98823	100.0
62.37190	0.9
66.28493	1.0
70.43237	3.7
71.01360	1.1
89.02435	1.8
93.03453	1.3
98.19986	1.1
101.02434	2.1
101.09876	1.1
119.03481	1.1
133.02962	1.1
135.04494	4.7
138.34526	1.1
145.02927	1.5
161.02414	2.0
173.04591	2.8
176.80751	1.0
179.03491	5.3
187.11293	2.7
271.44528	1.1
325.20044	1.6
487.34348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	23.8
61.98823	100.0
62.31448	0.9
64.20954	0.9
71.01363	3.4
71.60427	1.4
73.02916	1.4
78.95901	1.3
85.02955	1.2
89.02421	2.3
106.97201	0.9
135.04482	5.5
137.06050	7.4
146.06082	3.7
147.04536	1.3
148.04050	1.9
161.02461	2.3
164.07126	4.4
178.08696	3.6
179.03461	8.2
179.71916	1.0
186.09232	2.9
190.04996	1.8
191.05600	1.2
193.12253	3.9
230.08134	3.4
262.10553	2.0
287.61111	1.1
288.75089	1.2
293.08615	1.2
304.11978	1.7
310.10721	1.2
442.18542	2.2
448.26242	2.4
486.17624	13.4
487.17593	1.6
487.34335	5.7
499.79221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32383	0.5
59.01368	3.3
61.98811	1.5
69.53840	1.0
69.54245	1.7
71.01366	1.8
74.04006	0.3
76.71402	0.3
78.95875	0.4
80.89806	0.4
85.02941	0.9
88.98802	0.5
89.02425	0.7
93.93255	0.3
96.96022	2.0
99.36989	0.5
101.02390	1.0
113.02442	0.6
116.05054	2.3
116.53062	0.4
118.02965	0.4
118.06581	2.6
128.03459	0.5
135.04503	1.4
144.04532	13.4
145.02933	1.3
146.06125	1.0
150.05582	0.8
158.06131	0.5
160.04010	0.9
161.02437	1.0
161.04703	0.4
163.07610	0.7
174.05632	0.4
176.07140	16.6
177.07498	0.8
179.03477	3.0
180.10306	0.5
186.12920	0.8
188.03508	9.3
190.05067	1.0
191.15193	0.4
192.06618	1.6
193.03757	0.4
202.05069	0.8
204.02986	1.7
204.04646	0.5
214.12363	3.0
216.06618	0.5
216.13780	0.6
220.06111	100.0
221.06421	3.9
231.08974	2.6
234.07730	0.9
246.11157	0.4
246.14928	1.8
249.36754	0.4
258.11282	1.3
272.12885	0.5
280.06741	0.4
287.22275	2.0
290.13934	16.0
291.14301	0.5
304.15634	0.5
307.10596	0.6
307.91080	0.4
322.16541	37.2
323.16943	2.2
333.39520	0.4
334.12918	1.5
372.14453	0.6
442.22354	1.6
486.21396	3.3
487.25616	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	486.213
Annotation	Fiscalin C
Peak:m/z	Relative Intensity
54.79996	0.3
59.01376	2.0
61.98816	3.3
69.53665	2.5
71.01360	0.6
88.98803	0.7
108.58383	0.3
113.02431	0.6
116.05067	1.7
117.03436	2.6
118.03784	0.7
118.06628	2.5
131.05049	0.4
135.04486	2.2
137.06065	0.7
144.04536	13.6
145.02933	8.4
145.04796	0.3
146.03276	3.0
146.06097	0.7
148.07631	0.4
160.03981	1.2
161.02455	1.3
161.04607	0.5
163.04048	0.3
172.11215	0.5
176.07138	18.2
179.03426	2.5
180.10309	0.5
188.03505	11.5
190.05034	1.4
192.06651	1.4
194.11722	0.6
204.02975	1.3
204.04607	0.5
214.12399	2.2
216.13913	0.5
220.06111	100.0
221.06517	3.9
231.08994	2.7
233.76967	0.4
234.07440	0.5
246.11295	0.6
246.14906	1.4
258.11288	0.7
272.12900	0.7
290.13931	11.6
290.43799	0.4
291.14224	0.7
322.16553	39.5
323.16968	2.3
326.10208	0.5
334.12915	1.3
442.22430	2.5
486.21439	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	486.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26292	0.2
57.03480	0.3
59.01374	3.2
61.53170	0.2
61.98824	100.0
71.01373	1.1
71.62048	0.4
73.02950	0.4
85.02943	0.3
88.98821	0.4
89.02441	0.6
95.32111	0.2
98.50335	0.2
101.02460	0.7
113.02472	0.5
130.08743	0.7
135.04536	1.5
145.02956	1.0
161.02444	0.8
175.44460	0.2
177.05525	0.3
179.03506	2.2
191.22694	0.2
191.67534	0.3
285.20575	0.6
286.21210	0.3
287.22437	0.4
426.22647	0.4
450.27859	0.8
486.24359	2.4
487.17148	0.4
487.25635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
59.01370	4.8
61.98819	0.8
64.40257	0.2
69.03452	2.3
71.01376	2.2
73.02948	0.4
75.00871	0.3
79.95739	2.5
81.03448	0.3
82.95393	0.8
85.02939	0.9
87.00845	0.4
88.98779	0.7
89.02441	1.8
93.03437	0.3
95.05022	0.5
96.96000	100.0
101.02438	1.9
109.70496	0.3
113.02415	1.5
119.03487	0.5
119.05010	9.0
121.02931	0.4
121.06561	0.6
131.03462	0.3
133.02924	0.7
134.03719	0.8
135.04486	2.8
149.02420	0.8
160.01631	0.5
161.02463	2.1
161.04538	0.6
163.03986	6.0
164.04607	0.6
171.08499	0.3
173.04567	0.4
175.04031	0.8
179.03477	3.1
181.05045	0.6
191.05630	1.2
193.05087	0.6
223.06068	1.2
235.06197	0.8
251.05685	0.4
264.12454	0.6
265.07111	0.7
265.12723	0.4
323.09885	0.3
337.17511	0.3
341.11102	0.4
345.12018	0.4
389.10846	3.4
397.11380	0.8
444.54825	0.3
445.17316	0.6
487.14474	2.9
487.18781	0.6
487.21014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.2
62.92645	0.8
70.80040	2.1
71.01379	15.1
72.99290	2.7
73.04534	0.8
78.95887	5.5
85.02953	3.3
87.00855	2.2
89.02440	3.3
92.51733	0.8
93.03445	2.1
96.95980	3.6
101.02449	0.9
105.76711	0.8
110.98504	4.0
115.00362	40.9
119.05007	1.2
128.06943	0.9
133.01422	100.0
134.01755	1.9
135.04518	4.8
159.44176	0.9
161.02370	2.1
163.04030	1.0
173.04521	1.6
179.03487	8.6
191.05602	37.7
191.07355	1.8
192.05902	1.2
225.28253	0.9
258.86609	0.8
295.10315	1.3
319.91684	0.9
353.08630	3.1
459.97540	0.9
487.14883	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	487.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
69.34361	3.9
71.01365	2.2
73.02919	0.4
79.28460	0.5
80.40231	0.4
85.02943	1.4
85.56026	0.5
85.67022	0.5
87.09069	0.4
87.70206	0.4
88.81298	0.4
89.02432	0.8
93.03441	0.9
95.01379	0.5
101.02396	0.6
105.03432	0.5
109.01862	0.4
109.02962	0.6
113.02398	1.5
113.75284	0.5
116.92855	1.4
117.01900	0.7
117.03420	1.1
119.05008	60.1
120.05331	1.4
125.02406	0.5
132.02167	1.2
133.02934	31.2
133.99316	0.5
134.03825	2.2
135.04507	40.7
136.04826	0.9
145.02916	1.4
148.05357	0.5
149.06064	0.8
161.02417	100.0
162.02745	3.7
163.03984	29.1
164.04303	0.9
175.03951	1.4
177.05542	2.9
179.03467	43.2
180.03809	1.2
181.69556	0.4
203.03397	2.4
204.10336	0.5
221.04515	2.6
263.05643	0.6
280.05774	0.5
283.74835	0.4
307.08066	0.7
323.07660	37.2
324.08038	1.7
443.13596	3.5
458.61279	0.5
469.10965	0.4
487.12344	51.3
488.12616	5.1
499.16446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11525	2.6
58.00583	3.6
59.01368	44.0
61.98821	7.6
62.28941	2.8
68.99809	4.6
70.06123	15.0
71.01371	33.5
73.02943	3.0
85.02940	10.7
87.00829	2.5
89.02426	33.5
93.03457	8.4
99.00854	3.6
101.02431	30.0
111.00851	5.7
113.02449	11.6
119.03482	12.4
119.05013	9.9
127.04022	6.9
131.03464	4.4
133.02930	4.9
135.04495	13.4
137.06090	3.8
149.04521	5.7
161.02382	6.0
161.04507	3.5
161.13313	8.0
173.04539	17.4
179.03444	26.6
183.13824	3.4
187.11252	34.9
205.12259	5.9
291.08688	40.8
299.11313	14.4
317.10306	12.0
355.21234	4.9
376.39139	3.3
419.13321	3.8
487.24597	5.7
487.26666	5.8
487.34280	100.0
488.34607	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	487.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.0
65.75385	0.4
67.34403	0.4
69.24480	1.3
69.24904	2.5
71.01353	0.7
73.02930	0.5
75.60473	0.4
85.02953	0.7
89.02415	0.4
91.68719	0.3
98.20621	0.8
111.00910	0.5
113.02447	0.4
127.03996	0.6
135.04501	1.1
153.05591	0.4
179.03508	1.4
181.05058	0.5
248.46382	0.4
291.08636	0.7
355.15201	0.5
409.30975	0.7
432.94113	0.4
487.34216	100.0
488.34631	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92374	18.8
59.01363	29.9
69.39555	30.7
69.39964	100.0
82.88931	17.0
85.34549	17.7
88.42633	16.1
98.19877	37.5
127.04050	20.4
140.70348	17.0
171.46501	19.1
183.03870	17.3
189.55473	21.9
230.72873	17.1
232.66254	21.1
291.08759	52.5
317.09924	25.0
428.07153	20.4
472.15921	16.8
487.33685	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	35.0
61.98824	95.9
70.12337	12.0
71.01375	14.4
85.02949	7.1
89.02415	6.9
98.19849	3.9
101.02441	19.4
111.00896	4.0
113.02456	4.5
118.78989	3.0
127.04010	5.1
133.02902	5.6
135.04523	19.1
139.00378	2.9
161.02394	8.5
173.04535	11.8
179.03455	28.6
201.16585	15.4
216.03030	3.2
245.15344	4.7
274.64075	3.7
289.14288	17.0
291.08759	26.2
313.23575	3.2
317.10260	5.5
355.21320	4.5
364.88339	3.4
487.18021	6.8
487.34317	100.0
488.23349	3.5
488.34155	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	487.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35461	0.5
59.01369	4.7
70.19278	1.9
71.01370	4.1
72.99346	0.5
73.02930	0.4
85.02930	4.3
89.02426	2.1
91.05541	0.5
95.01371	1.1
98.20552	0.5
101.02442	1.9
106.04313	0.5
113.02431	4.9
117.03448	4.4
119.03567	0.8
119.05019	9.4
124.96004	0.4
125.02439	0.8
133.02945	6.8
134.03705	2.3
135.04509	57.4
136.04828	2.0
145.02939	15.7
157.24763	0.5
161.02422	17.5
162.02708	0.5
163.03989	16.5
164.04201	0.7
176.29828	0.4
177.05498	0.6
179.03473	100.0
180.03848	3.7
187.02487	0.5
187.03969	0.9
205.04977	0.7
260.34537	0.4
445.17233	0.7
487.13812	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	487.1449
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
53.50967	0.3
54.64945	0.3
59.01375	1.8
70.63393	0.7
71.01367	2.4
73.02926	0.5
75.00877	0.3
85.02944	3.7
85.97878	0.3
89.02441	0.6
95.01385	1.2
96.95998	1.6
101.02419	0.4
107.05014	0.9
113.02432	4.4
117.03448	0.6
119.05015	0.9
125.02424	1.0
132.02217	0.4
133.01408	0.6
133.02931	7.1
134.03735	2.7
134.79335	0.3
135.04507	57.8
136.04852	1.6
143.03458	0.4
145.02916	0.8
161.02423	18.4
162.02676	0.7
163.03992	0.7
172.96889	0.3
175.03912	0.3
176.56274	0.3
177.05470	0.4
179.03468	100.0
180.03833	3.1
187.02536	0.6
203.03358	0.6
217.05141	0.3
233.04492	0.4
245.04388	0.6
487.14432	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	487.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76134	0.5
57.03436	0.8
59.01087	0.9
59.01372	11.1
61.98817	2.4
69.26386	4.6
69.26801	1.8
71.01382	9.7
72.99271	0.9
73.02928	2.3
75.00859	2.5
83.01358	0.7
83.05033	0.7
84.95103	1.3
85.02940	6.6
85.76801	0.6
87.00875	0.9
89.02425	6.6
93.03430	1.1
95.01373	2.6
97.02928	1.0
99.00854	1.2
101.02422	5.5
107.05038	1.1
109.02917	0.8
113.02438	9.7
117.03469	1.4
119.03484	1.9
119.04992	2.2
125.02412	1.7
131.03499	1.3
132.02155	1.8
133.02945	8.2
134.03731	8.9
135.04514	72.9
136.04858	1.8
136.86038	0.7
143.03459	0.7
145.02985	0.8
149.06107	1.4
155.03514	0.8
160.01608	5.0
161.02428	18.3
161.04558	1.9
161.05936	0.8
173.04501	1.2
175.03979	6.0
179.03474	100.0
180.03821	3.9
191.05589	3.5
191.07162	1.2
193.05016	8.8
203.05696	1.0
217.05032	0.9
235.06154	3.0
243.06731	1.0
265.03220	0.7
281.10123	0.6
299.11478	0.9
311.09824	1.5
325.11514	1.7
343.10327	0.8
397.11594	0.7
434.12979	0.6
445.17194	6.2
453.68863	0.7
487.14410	5.7
487.19937	1.2
488.14441	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	487.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01371	16.6
71.01374	16.0
72.99287	2.6
73.02942	4.7
73.76630	1.3
75.00860	26.3
85.02931	6.1
85.62412	1.4
87.00861	2.2
88.98763	1.7
89.02442	10.4
89.03896	1.5
93.03445	2.0
99.00851	5.7
101.02450	11.3
109.02947	1.8
113.02432	6.4
117.03463	8.6
119.03476	2.1
119.05025	1.9
131.03474	10.6
132.02188	3.0
133.02945	4.9
134.03723	88.4
135.04599	8.8
137.02399	1.9
145.02930	4.5
147.04514	5.2
149.04765	2.2
149.06055	14.4
156.70819	1.4
160.01624	21.8
161.02440	13.0
163.03966	3.7
169.13049	1.5
173.04547	2.8
175.03975	33.2
176.04761	7.7
177.01895	1.9
177.05446	1.9
178.02747	1.8
179.03455	7.0
191.05576	7.8
191.07138	6.5
192.04178	1.8
192.99654	8.7
193.05032	100.0
194.05429	4.2
206.05742	4.7
207.06583	2.4
221.08186	11.2
235.03947	2.3
235.06091	25.6
265.07117	34.6
266.07468	2.0
293.08838	3.0
295.08035	2.3
311.09790	48.4
325.09134	22.5
341.11026	6.7
367.10324	17.0
397.11395	7.9
411.37332	1.5
427.12494	1.8
432.11472	2.0
437.08575	1.7
455.12143	3.0
469.13928	2.3
487.14572	44.2
488.14975	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	487.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	6.2
61.98819	0.9
71.01375	7.5
72.99316	0.5
73.02943	1.2
82.95408	12.0
83.01405	0.7
85.02943	3.2
87.00868	0.5
88.98879	0.3
89.02424	2.8
93.03421	1.0
93.98423	0.4
95.01396	0.8
96.96021	0.7
97.02943	0.5
98.19913	1.1
99.00864	1.1
101.02444	3.6
107.05080	0.4
108.02147	0.5
109.02969	1.5
111.00857	1.2
113.02437	4.8
117.03474	0.5
119.05011	100.0
120.05376	3.4
120.95787	0.4
121.02941	0.5
121.64615	0.4
125.02435	0.9
132.02193	0.5
133.02934	4.8
134.03758	1.9
135.04512	20.6
136.04803	0.7
143.03465	1.1
145.02959	1.7
149.06041	0.6
160.01630	1.7
161.02429	16.6
161.04420	2.3
161.05853	0.5
162.02837	0.7
163.03987	71.0
164.04338	2.5
175.03952	2.5
176.04683	0.9
177.05463	0.6
179.03465	25.1
180.03831	1.0
187.03926	0.5
187.78322	0.4
191.03902	0.4
191.05569	2.1
191.07063	0.6
193.04996	1.7
203.03485	0.4
203.05554	0.7
209.08298	0.9
217.04994	0.5
220.03725	1.6
233.04471	2.4
235.06082	6.0
243.06444	0.5
251.03119	0.7
251.05554	7.5
281.10358	0.6
289.07156	0.8
301.81366	0.4
305.06509	3.1
323.07062	1.8
323.09799	4.0
365.04654	0.4
397.11441	0.6
445.16931	1.8
469.13190	0.5
469.96783	0.5
474.09409	0.4
487.14337	28.7
488.14545	2.3
488.21234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29035	0.5
57.03463	0.5
59.01370	8.9
59.73877	0.5
61.98812	1.4
64.86555	0.6
66.95916	0.6
69.74330	3.2
71.01375	9.2
73.02951	2.4
75.00838	0.9
76.72954	0.6
82.95406	18.1
83.01378	1.1
85.02950	4.2
87.00861	1.0
89.02409	5.1
93.03448	1.8
95.01352	0.7
96.96004	0.8
97.02962	1.2
98.20586	0.9
99.00871	1.3
99.04514	0.5
101.02434	6.4
108.02156	0.6
109.02946	1.5
111.00851	1.3
111.17361	0.6
113.02441	7.8
119.05012	100.0
120.05341	2.7
125.02437	1.2
132.02171	0.6
133.02931	7.5
134.03743	2.8
135.04512	28.5
136.04869	1.3
137.02386	0.8
143.03461	1.3
145.02950	2.3
147.04639	0.6
149.06096	1.4
160.01627	1.8
161.02428	23.2
161.04439	3.1
161.05925	1.0
163.03986	69.7
164.04315	2.3
173.04536	0.6
175.03978	3.3
176.04720	0.8
179.03474	31.0
180.03799	1.4
191.05516	2.3
191.07057	1.1
193.05049	3.1
194.83232	0.5
203.03519	1.3
203.05547	1.2
205.05002	1.2
209.08148	1.1
220.03735	1.7
233.04547	3.3
235.06091	8.7
243.06682	0.6
245.04398	0.7
251.03162	1.0
251.05573	12.5
265.07083	1.3
275.52805	0.6
281.09964	0.7
289.06866	0.8
305.06619	4.0
323.07370	2.8
323.10034	2.6
325.09039	1.3
445.17004	2.5
487.14322	36.3
488.14438	3.2
488.21027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
59.01092	1.7
59.01371	24.8
60.99300	3.5
69.03439	1.6
69.46885	3.1
69.47285	7.5
71.01373	21.6
72.99278	1.9
73.02925	5.0
73.96198	1.2
75.00875	7.1
80.70418	1.2
83.01395	2.0
85.02947	9.0
85.27605	1.2
88.98797	18.9
89.02435	18.1
93.03430	4.4
95.12977	1.2
96.95978	2.3
99.00855	5.1
101.02429	17.4
109.02904	2.5
113.02431	8.9
117.03471	6.6
119.03466	5.5
125.02364	1.5
131.03516	6.1
132.02118	3.1
133.02963	6.5
134.03729	94.5
135.04523	9.0
137.02390	3.6
145.05054	1.9
147.04489	3.7
148.05270	2.5
149.02409	2.1
149.04764	1.7
149.06053	14.4
159.55937	1.3
160.00423	1.7
160.01642	18.9
161.02434	14.7
163.04008	2.2
163.30283	1.3
173.04568	12.0
175.03973	28.8
176.04701	9.7
177.01761	1.7
177.05504	3.0
178.02574	2.0
179.03508	11.5
179.05061	1.8
179.05299	1.5
191.05534	7.9
191.07097	11.3
192.04231	2.1
193.05026	100.0
194.05333	4.8
206.05817	6.6
207.06555	4.2
217.04883	2.2
221.08221	9.7
223.06094	1.6
235.06067	33.2
241.05008	1.9
265.04272	2.0
265.07104	36.6
266.07471	2.5
293.08560	3.1
295.08289	2.1
311.09778	29.0
325.09067	17.7
325.11658	9.8
326.09399	1.7
351.17673	1.3
367.10196	18.4
397.11343	11.5
427.19666	1.4
447.98987	1.4
455.11713	4.0
469.13278	1.5
487.14380	55.7
488.14639	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	487.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.98830	1.1
62.73815	0.2
66.14540	0.2
69.51917	1.2
69.75459	0.2
70.64958	0.1
71.01369	1.5
72.99282	0.2
73.02942	0.7
83.01386	0.2
85.02933	0.3
89.02438	0.5
89.03959	0.2
93.03445	0.3
101.02430	0.9
113.02440	0.5
117.03456	33.6
118.03799	0.8
119.05011	12.0
120.05347	0.3
121.02943	0.3
123.04483	0.2
133.02951	0.3
134.03773	0.2
135.04536	1.3
137.06102	1.0
137.72873	0.2
143.05022	0.5
145.02942	100.0
145.18686	0.2
146.03285	3.2
153.05478	0.2
161.02434	0.6
161.06021	0.2
163.03996	25.9
164.04359	0.7
173.04616	0.2
179.03491	2.2
187.03998	0.5
193.05092	0.2
204.08804	0.2
204.41310	0.2
307.08176	0.2
313.86819	0.2
427.14120	0.3
445.15118	0.3
487.16019	32.9
488.16364	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	487.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35361	0.1
59.01376	2.7
60.16740	0.1
61.98823	1.0
71.01377	1.2
71.62748	0.1
73.02938	0.6
83.01395	0.1
83.68903	0.1
85.02955	0.6
87.00878	0.2
89.02451	0.5
89.03971	0.3
93.03451	0.2
101.02409	0.6
113.02426	0.5
116.02668	0.1
117.03456	33.0
118.03772	1.0
119.05015	12.8
120.05359	0.4
121.02969	0.4
123.04504	0.2
125.02415	0.2
132.25397	0.1
133.02916	0.3
134.03731	0.4
135.04517	1.9
137.06065	1.0
143.05002	0.3
145.02937	100.0
146.03268	3.1
147.04462	0.2
160.01653	0.2
161.02414	0.7
161.06111	0.2
162.03165	0.1
163.03992	23.4
164.04332	0.7
175.03905	0.2
177.05515	0.1
179.03479	2.2
187.04001	0.4
193.05031	0.2
205.04887	0.1
227.06839	0.2
233.04260	0.1
251.05592	0.3
255.57956	0.1
258.56183	0.1
261.05472	0.2
307.08148	0.2
321.24982	0.1
323.07666	0.1
325.09171	0.1
329.93124	0.1
427.14267	0.2
436.10675	0.1
445.14935	0.2
481.73221	0.1
482.28558	0.1
487.16037	33.6
488.16394	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	487.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
61.98814	1.3
66.58289	0.4
69.59361	0.4
70.62866	0.6
71.01370	4.7
73.02932	0.9
75.36926	0.4
85.02932	1.0
89.02432	1.0
96.96021	0.4
98.95798	0.4
101.02431	1.1
112.20074	0.3
113.02432	1.5
115.00366	0.7
115.17886	0.4
117.03453	25.7
118.03793	0.6
119.05013	11.8
120.05304	0.4
121.02932	0.7
125.02444	0.7
131.03523	0.4
133.01360	0.7
133.02950	1.6
134.03720	1.6
135.04515	10.5
135.83434	0.4
137.02478	0.5
145.02934	100.0
146.03741	15.9
147.04585	0.8
148.02301	0.3
152.11400	0.4
159.04491	0.4
161.02437	3.0
161.06073	5.6
163.03999	9.7
164.04767	10.8
165.05325	0.5
165.40820	0.4
175.03937	0.6
177.01921	1.9
178.02226	0.8
179.03500	11.9
179.07092	14.1
180.03842	0.4
187.03886	0.9
193.04974	1.1
194.34914	0.4
205.04970	0.7
247.06038	0.6
265.07059	0.5
267.06564	1.0
279.06668	0.8
307.08179	47.9
308.08594	2.1
338.08182	0.6
341.10452	1.8
353.10107	3.1
487.16080	29.7
487.24808	1.0
488.16479	2.8
505.10056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03442	2.7
57.10168	0.4
58.00589	2.0
58.45913	0.4
59.01372	100.0
60.01709	1.0
62.20311	0.4
64.50931	0.4
67.23441	0.4
69.03452	2.8
69.52242	0.9
69.52645	2.9
71.01373	60.3
72.01729	0.6
72.99299	2.8
73.02933	17.8
74.03277	0.4
79.01900	0.4
81.03436	2.5
83.01374	5.7
85.02941	24.3
87.00863	4.4
87.04500	1.0
89.02433	28.0
93.03438	0.5
95.01382	8.0
96.96016	1.6
97.02944	3.1
98.95563	1.0
99.00887	2.7
99.04501	0.8
101.02433	27.9
103.03999	4.7
107.01379	0.8
107.05035	0.5
109.02933	0.7
111.00845	1.1
113.02434	49.1
114.02719	1.0
115.03999	2.1
117.03451	0.7
119.03527	10.0
119.05008	32.7
120.05371	0.8
125.02428	8.6
126.69453	0.4
127.04015	1.4
131.03465	4.0
132.02156	0.5
133.02933	5.8
134.03719	2.0
135.04509	35.6
136.04865	1.3
137.06068	4.5
138.98683	0.4
143.03494	7.3
145.02940	1.4
145.05049	0.9
149.04549	0.8
155.03479	7.3
161.02431	11.7
161.04495	6.7
163.04018	0.8
163.06099	5.7
164.68753	0.4
171.10225	0.5
179.03471	60.2
180.03842	1.8
185.04669	0.5
191.05609	1.8
203.05576	12.4
205.07170	3.1
245.04407	0.6
247.08272	0.7
281.10266	13.0
282.10553	0.7
299.11288	7.7
323.11234	0.7
341.12341	10.4
341.16376	0.5
427.16034	5.5
428.16324	0.4
445.17065	58.0
446.17368	4.7
487.18164	73.5
488.18561	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	487.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.2
57.03436	4.8
58.00585	2.2
59.01369	70.9
60.01684	0.6
68.99800	0.5
69.03456	2.0
69.25620	0.3
69.58389	2.5
71.01371	100.0
72.99295	3.2
73.02935	26.8
75.00871	1.6
79.54655	0.3
81.03423	0.5
83.01373	10.7
84.02130	0.5
85.02938	36.9
86.00079	0.6
86.03283	0.6
87.00857	4.7
89.02430	77.1
90.02736	0.6
95.01378	4.8
97.02910	2.5
99.00864	16.0
99.04488	0.7
101.02426	75.5
102.02756	1.0
111.00841	0.8
113.02431	38.0
114.02758	0.4
115.04016	0.7
117.70972	0.4
119.03481	18.8
125.02428	5.5
128.36276	0.4
129.01924	1.7
131.03479	21.8
143.03487	6.0
149.04527	60.4
150.04872	1.4
159.02966	5.2
161.04527	34.7
162.04846	0.8
173.04559	0.9
179.03392	0.5
179.05582	8.7
191.05571	11.5
193.14227	0.3
193.15932	1.5
205.03496	0.6
221.06570	1.5
233.06612	1.5
244.06534	0.4
251.07579	3.0
293.08725	2.1
311.09772	1.0
313.23816	0.7
355.21182	67.5
356.21613	4.3
399.20029	0.9
433.58426	0.4
487.25357	25.0
488.25729	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	487.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.5
57.03441	7.9
57.37376	0.3
58.00587	2.5
59.01373	64.8
60.01710	0.4
61.98822	1.1
67.01878	0.5
68.99803	0.7
69.03440	1.5
69.40671	0.6
69.41076	1.8
71.01375	100.0
72.01712	1.0
72.99303	2.9
73.02940	25.5
75.00858	1.1
81.03461	0.9
83.01379	9.2
84.02134	0.5
85.02942	32.8
87.00867	4.3
89.02435	71.4
89.33205	0.3
90.02778	0.5
95.01379	5.3
97.02932	2.5
99.00864	8.6
99.04450	0.5
101.02433	62.0
102.02776	0.5
111.00839	0.7
113.02438	34.5
114.02774	0.7
115.04000	0.7
119.03490	13.4
125.02444	4.9
129.01959	1.1
131.03490	22.9
135.04549	0.4
143.03485	6.2
149.04539	54.0
150.04863	0.7
159.02971	4.6
161.04536	39.0
162.04848	0.6
162.37964	0.4
179.03748	0.7
179.05566	9.5
191.05585	10.4
193.15955	2.3
205.03534	0.5
233.06619	0.8
251.07716	0.6
267.70862	0.3
293.08829	1.7
311.09726	0.8
355.21216	26.5
356.21722	1.7
388.56296	0.4
487.25421	11.1
488.25702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.305
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
59.01371	1.2
69.22862	6.2
69.23273	1.9
71.01375	0.7
76.19160	0.6
113.02407	1.2
133.02916	2.4
135.04518	15.1
144.52773	0.6
161.02412	4.3
179.03468	23.9
191.05595	1.8
310.54953	0.8
451.32846	1.2
452.14194	0.9
487.30484	100.0
488.30817	10.2
494.66162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3421
Annotation	bayogenin
Peak:m/z	Relative Intensity
59.01362	1.7
60.99315	1.1
61.98819	1.2
67.07224	0.7
71.47896	0.8
77.27643	0.8
83.05065	0.9
85.63747	0.9
88.28279	0.7
97.06574	3.2
128.67461	0.7
189.12784	4.5
191.14342	6.0
237.14967	5.3
276.38803	0.7
277.55176	0.8
285.88602	0.9
389.28534	2.2
391.30090	2.1
393.27789	1.0
395.33334	1.7
405.31506	5.4
407.33209	11.2
408.33978	1.0
409.31064	1.6
423.32629	3.1
425.34213	1.7
437.30270	0.8
439.32205	1.4
441.33673	15.7
442.34186	2.1
443.35339	9.0
449.30719	1.4
451.32156	15.8
452.32529	0.9
453.33679	94.2
454.34109	11.6
467.31296	3.8
469.33075	4.4
470.33380	0.9
471.35413	1.0
485.33063	1.8
487.34283	100.0
488.34650	11.7
497.32657	2.3
513.32233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00530	1.2
62.52554	0.4
69.29779	3.4
71.04967	0.4
72.15887	0.4
73.02864	0.4
97.06503	1.1
98.81618	0.5
136.63017	0.5
163.66838	0.4
171.87059	0.4
300.59290	0.4
322.91580	0.5
387.30615	0.7
389.28381	3.7
405.31311	0.7
406.28589	4.2
407.29245	2.1
421.31247	2.1
423.32623	9.9
423.37943	0.8
424.33157	0.9
439.28473	1.3
457.33255	0.6
467.31793	0.7
469.33139	56.7
470.33551	6.1
487.34210	100.0
488.34625	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	487.3425
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.62017	0.2
57.86335	0.2
59.01389	1.6
59.46070	0.3
67.46821	0.2
70.51612	0.5
70.51937	0.4
72.99310	0.3
76.01763	0.3
87.84761	0.2
98.02493	0.2
116.39746	0.3
148.13446	0.3
170.14491	0.3
298.63620	0.3
395.32986	0.4
397.30740	0.5
405.31036	0.3
407.33191	1.1
413.34210	0.6
425.34009	0.9
441.33649	18.2
442.34000	1.7
443.35205	0.9
451.32047	1.1
452.32901	0.2
469.33334	1.6
487.34207	100.0
488.34576	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	487.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51897	0.2
53.88751	0.2
59.01373	0.9
61.98796	0.3
71.01365	0.5
71.05011	0.4
71.62519	0.5
75.97704	0.3
84.06440	0.2
85.06590	0.3
87.00884	0.3
97.06600	0.5
126.60168	0.2
134.03690	0.3
135.04483	0.9
161.02373	0.3
169.42448	0.3
173.04515	0.3
175.04095	0.3
179.03481	0.8
181.56532	0.2
197.81726	0.3
275.67926	0.3
387.74283	0.3
433.05374	0.3
439.32071	0.4
455.31717	1.0
467.31323	0.4
485.70847	0.3
487.34250	100.0
488.34549	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	487.3423
Annotation	Arjunic acid
Peak:m/z	Relative Intensity
57.03443	1.4
59.98508	16.5
60.56606	1.2
60.99300	11.2
69.03456	2.3
70.02326	5.8
71.05021	5.9
76.98798	3.3
80.02677	1.6
95.05014	1.6
105.25131	1.3
137.09737	1.4
248.41466	1.3
277.61755	1.4
301.86002	1.4
371.29544	1.5
379.30130	1.8
389.28552	2.0
391.30194	3.1
399.32440	6.8
405.31461	5.7
407.33160	80.7
408.33588	8.7
409.30313	2.6
409.34851	28.3
421.31155	1.5
423.32687	19.8
425.34338	19.0
426.34549	1.3
427.35791	14.8
428.36057	1.7
441.33807	3.1
443.35754	2.8
449.30524	4.9
451.32666	1.6
453.33664	32.9
453.39511	1.9
454.34149	3.5
455.31567	8.3
457.33151	5.4
467.31564	14.2
468.32373	2.1
469.33160	100.0
470.33612	14.6
487.34305	95.8
488.34592	11.1
513.32037	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	487.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70563	0.3
54.82267	0.3
56.25736	0.3
69.30962	3.1
71.04987	0.9
73.68976	0.4
75.69731	0.3
79.83529	0.3
83.05035	0.5
83.19772	0.3
88.22696	0.3
96.31395	0.3
98.20576	0.6
135.37802	0.4
158.83626	0.4
170.43581	0.5
172.00760	0.3
174.71991	0.3
237.76933	0.4
391.29950	0.4
393.31314	0.7
405.31802	1.2
423.33545	0.4
427.32083	0.8
437.30585	1.9
443.35455	0.6
469.33255	9.5
470.33487	0.9
487.34198	100.0
488.34543	10.8
511.65115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	Isoarjunolic acid
Peak:m/z	Relative Intensity
57.03416	0.2
58.37666	0.1
59.01378	1.1
59.70502	0.1
60.99295	0.6
65.63545	0.1
68.11977	0.1
68.80614	0.1
69.03461	0.1
71.05017	2.7
71.16800	0.3
72.99303	7.8
73.02930	0.2
76.98819	0.1
99.04488	0.3
101.06069	0.5
106.23507	0.1
109.83728	0.1
117.49122	0.1
137.09735	0.2
144.00146	0.1
149.09732	0.2
163.97800	0.1
297.00424	0.1
355.26251	0.2
357.28009	0.4
359.29492	0.8
366.79224	0.1
369.27905	0.3
371.29123	0.3
385.31052	0.6
387.29105	2.2
388.29193	0.2
389.23792	0.2
389.28439	2.1
390.29263	0.8
391.29932	0.7
393.31494	0.2
395.29462	0.4
395.33688	0.3
397.31171	1.8
398.31812	0.2
403.29852	0.2
405.31570	7.7
406.31873	0.8
407.33395	3.0
408.33545	0.3
409.31131	1.8
410.31357	0.1
411.32681	1.1
413.34210	3.4
414.34686	0.4
415.32144	0.4
421.31000	0.4
423.32730	2.0
425.34277	6.2
426.34647	0.5
427.32111	6.4
428.32394	0.5
437.30438	0.2
439.32074	2.1
441.33737	3.8
442.33908	0.4
443.35406	1.4
444.35541	0.2
451.32092	0.8
469.33246	0.9
485.32874	0.3
487.34216	100.0
488.34583	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	487.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13834	0.2
51.84945	0.3
54.05568	0.3
58.00599	0.3
70.92171	0.7
71.05014	1.2
73.34458	0.3
74.29802	0.3
127.37981	0.3
139.55669	0.3
147.28146	0.3
150.58180	0.3
371.29361	0.6
393.31201	0.3
407.33258	1.6
423.32590	1.1
425.34262	1.4
426.03448	0.3
427.32080	1.7
437.30615	0.6
443.35156	0.8
455.31085	0.4
467.31589	0.9
469.33136	16.0
470.33633	2.0
487.34219	100.0
488.34570	11.1
488.41666	0.6
513.31873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.2
89.83050	0.3
101.48577	0.5
135.04512	0.7
179.03481	0.6
365.81049	0.5
407.33176	0.5
421.09503	0.4
441.33658	17.2
442.34186	1.9
443.35098	0.8
448.87152	0.4
451.32095	0.4
469.33215	1.0
487.34210	100.0
488.34598	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	487.3422
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
56.47955	0.2
57.03429	0.8
58.00573	0.4
59.01361	0.4
60.99289	0.6
68.01373	0.3
70.66286	0.4
70.66646	0.6
71.05014	0.3
95.74511	0.2
98.19936	0.3
110.08565	0.3
116.59122	0.2
117.02972	0.2
135.04558	0.3
179.03458	0.3
183.83502	0.3
230.57556	0.3
337.25482	0.5
349.25311	0.3
351.26724	0.8
369.27856	0.4
377.28424	0.7
391.30002	0.4
393.31732	1.6
401.26508	0.4
405.31873	0.4
407.29306	0.4
421.31531	0.2
423.32831	2.0
425.29865	0.4
425.34677	0.5
427.31717	0.3
435.28976	1.0
437.30573	5.5
438.30795	0.4
439.32294	0.5
441.33798	0.5
451.32019	0.4
457.33392	0.3
467.31583	3.6
468.32080	0.5
469.33655	4.2
470.33835	0.4
487.34241	100.0
488.34583	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	487.3422
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.58698	0.2
57.03439	0.5
59.01358	0.8
61.01503	0.2
69.29775	1.4
69.30189	0.5
71.01379	0.6
71.05040	0.3
72.83799	0.2
73.02966	0.3
97.06569	0.7
97.30998	0.2
98.19881	0.4
101.02420	0.2
116.63773	0.2
125.09773	0.2
135.04504	0.5
161.02347	0.3
179.03487	0.9
180.17496	0.2
182.82182	0.2
210.35046	0.2
215.77747	0.2
294.87018	0.2
372.26190	0.2
378.24057	0.2
380.20078	0.2
425.30646	0.6
437.30832	0.3
439.32309	0.5
443.31561	0.5
455.31543	1.8
456.32098	0.3
457.87946	0.2
467.31747	1.4
469.33813	0.3
485.32861	0.4
487.34280	100.0
488.34653	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
50.06023	0.2
56.45851	0.2
69.19641	0.3
69.33714	0.7
69.34128	1.3
71.05010	0.3
94.03801	0.2
98.19844	0.5
105.43782	0.2
111.33881	0.2
242.42136	0.2
246.52776	0.3
316.14127	0.2
365.75470	0.3
394.43759	0.2
399.32697	0.3
413.34259	0.4
423.32486	1.1
425.34158	0.7
427.31314	0.3
441.32944	1.8
443.35336	0.5
457.32864	0.3
469.33130	9.8
470.33545	0.8
487.34195	100.0
488.34534	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	487.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98051	0.4
59.01373	9.6
63.92451	0.3
71.18909	0.6
73.02934	0.3
75.00873	0.7
79.23709	0.3
88.31335	0.3
97.06599	0.4
98.66003	0.3
99.85790	0.4
125.09693	1.5
127.11268	5.0
143.10835	0.6
155.10747	2.0
157.12283	1.9
171.10257	2.0
173.11804	32.6
174.12206	1.0
179.03488	0.7
201.11324	0.7
205.92854	0.3
216.39586	0.4
295.22858	1.1
311.22153	0.3
313.23813	5.5
314.24127	0.5
326.87061	0.4
329.23233	2.8
331.24857	31.6
332.25098	2.3
333.25061	0.4
345.27969	1.1
425.34406	2.1
443.35556	2.9
469.33157	3.3
487.35464	100.0
488.35919	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	488.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11527	1.0
55.01881	1.1
57.03442	2.8
59.01375	100.0
60.01691	1.0
66.03487	6.9
67.01885	4.6
68.01424	1.0
68.99809	1.4
69.03457	3.6
71.01383	2.2
81.03446	4.5
82.76547	0.9
83.01376	2.6
83.05023	2.2
84.02187	1.7
85.02944	31.7
92.05067	0.9
93.03446	8.8
94.02979	15.4
95.01353	1.1
99.04500	9.2
101.02431	3.5
106.04257	1.9
107.05009	3.4
107.89747	1.1
107.90507	1.1
109.02958	2.2
111.00889	10.0
111.04508	14.1
113.02435	1.9
119.05021	4.1
120.04530	6.5
124.04004	1.2
125.06046	2.8
126.05602	30.5
127.04004	21.3
134.03745	1.2
135.04477	4.9
137.02428	17.5
137.06067	47.8
138.05510	1.7
138.06462	1.7
139.00380	5.7
149.02383	1.4
149.06021	1.3
151.03969	1.1
152.03516	22.1
152.07141	20.4
153.05640	2.1
160.07603	1.2
161.02499	1.3
161.06024	1.0
162.05595	1.8
163.03947	1.5
164.03519	1.6
165.01878	0.9
165.05554	1.0
172.03914	1.8
177.05528	2.3
178.05054	2.2
179.03470	5.2
188.03490	2.0
188.07126	5.7
202.08817	1.0
204.06612	2.6
214.05142	3.9
220.09724	4.4
236.09256	1.2
254.64516	0.9
264.08740	33.1
265.09198	1.3
273.07709	4.4
275.05643	3.5
275.09235	7.5
307.08240	15.7
315.08841	4.9
316.11795	15.3
317.09961	1.9
333.09744	1.5
384.14560	4.4
435.12790	1.1
487.34189	7.4
488.15488	28.8
488.34695	9.7
489.15845	2.2
489.34195	1.9
505.51620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33847	1.2
56.34405	1.1
59.01377	25.3
64.53900	1.3
71.01371	3.6
71.62518	1.8
73.02939	2.4
77.22620	1.2
78.03475	1.4
82.61225	1.1
83.01371	1.8
85.02932	3.8
85.06570	1.2
89.02425	2.0
94.66104	1.5
99.00872	1.5
99.04514	1.4
101.02406	3.7
104.05042	1.2
106.06620	5.1
108.04557	1.9
113.02432	2.2
119.05017	3.6
121.02924	2.1
121.06606	2.1
123.04473	3.1
124.04026	2.9
131.22162	1.4
134.06084	1.6
135.04503	3.0
137.06003	1.8
144.04587	2.3
145.05264	1.4
146.06058	4.1
147.04407	1.9
148.04037	2.2
149.04848	1.3
149.06062	3.9
150.05579	2.3
150.12799	1.4
151.07626	5.0
153.05577	4.3
159.06908	5.0
160.11374	1.6
161.04663	2.9
162.05576	1.2
164.07146	3.4
172.11363	1.7
173.04710	1.2
174.05643	1.8
174.12856	14.3
176.07176	3.4
176.14404	2.1
177.05632	1.2
178.05139	1.4
179.03523	1.4
179.07140	1.7
180.10268	39.5
181.10629	2.0
181.20911	1.2
186.12912	1.4
187.10138	2.6
188.10771	4.3
190.12317	2.6
192.13887	4.2
194.11868	3.5
195.06557	2.5
201.64761	1.3
202.12361	34.9
203.12674	2.9
204.13887	11.2
206.11797	3.5
214.12379	9.7
216.04137	1.2
216.10254	3.4
220.13385	1.4
230.11804	1.6
232.13391	19.8
234.11366	2.2
234.14969	42.1
235.15326	1.8
246.14957	6.9
248.12918	21.7
258.11252	1.3
264.15958	21.7
265.16309	1.6
276.12381	7.2
290.13910	10.0
308.14966	20.6
352.13971	6.7
357.22723	7.5
412.17664	2.3
426.19293	4.5
444.20206	7.5
481.09314	1.2
487.34515	11.2
488.19232	100.0
488.34897	8.9
489.19525	7.7
489.27063	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	488.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
58.00593	0.9
59.01373	10.7
60.57870	0.8
61.98842	1.4
67.01902	0.7
71.01379	0.8
71.05017	5.8
71.18752	1.1
71.19149	1.9
73.02946	1.5
74.99831	0.7
78.03494	1.1
83.05028	2.1
85.06574	0.9
97.19962	0.8
106.06629	2.5
107.05019	1.2
112.07661	0.7
119.05022	1.0
121.02943	0.8
121.06624	1.5
123.04539	1.5
134.06125	0.9
135.03285	1.1
135.04510	1.8
137.06052	1.1
144.04533	1.3
145.05278	1.2
146.06032	1.7
147.04498	1.0
148.04037	2.2
149.06104	1.6
150.12970	0.9
151.06526	0.8
151.07658	3.3
153.05580	2.8
158.06076	0.9
159.06903	2.3
159.12045	0.7
160.11330	1.7
161.04813	1.0
162.12909	1.1
164.07167	1.6
174.12825	9.3
174.13965	0.9
176.14417	1.1
180.10287	17.1
181.08600	0.9
184.07664	1.0
186.12819	0.8
187.09984	1.2
188.10765	4.4
188.14519	0.8
189.07967	1.0
190.12418	1.3
192.13959	3.2
194.11859	3.0
195.06651	1.7
196.60681	0.8
202.12361	27.4
203.12704	1.2
204.13939	3.4
206.11917	3.1
214.12350	6.2
218.11909	0.9
219.12645	1.3
232.13385	11.5
234.11467	1.5
234.14961	34.2
235.15242	0.9
246.14981	3.8
248.12851	5.5
251.11623	1.2
253.03929	0.8
264.16003	10.4
276.12335	6.4
290.14017	4.0
308.14990	13.0
328.75278	0.8
388.16690	0.9
423.32758	2.3
424.33218	2.3
425.34534	0.8
426.19412	3.0
427.32233	3.3
428.32761	1.9
436.29678	1.3
437.30396	2.0
438.31119	3.4
439.32153	1.1
444.20367	2.8
456.32132	1.4
467.31314	3.7
468.32263	3.2
469.33734	5.1
470.33923	6.7
471.30518	0.9
485.32935	1.9
486.33310	2.7
487.34317	91.7
488.19290	63.0
488.34720	100.0
489.19370	7.2
489.35629	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	489.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61008	1.2
57.03407	1.7
59.01372	25.7
71.01373	37.3
73.02943	9.3
75.00818	1.4
83.01336	2.8
85.02943	20.3
87.00871	48.1
89.02433	23.6
93.03390	5.5
95.01381	8.1
96.95954	4.7
101.02434	14.1
109.02877	3.0
111.00861	1.3
113.02436	62.3
117.21803	1.1
119.03493	6.3
119.05016	9.0
121.02852	1.6
130.37572	1.2
131.04958	1.7
133.02951	7.2
134.03667	2.8
135.04509	60.9
136.04771	2.7
137.02429	11.2
138.03181	2.2
139.03920	1.2
141.01820	1.4
143.03421	2.9
143.04903	1.8
145.02859	2.4
145.06386	1.9
147.04463	1.3
148.05193	2.3
149.02382	1.6
149.06085	6.2
150.03207	1.3
161.02443	39.0
161.04503	21.8
162.02773	1.7
163.04008	9.0
163.06004	2.2
165.01915	7.3
165.05447	2.6
166.02654	3.3
173.04448	2.5
175.03777	1.2
177.05531	16.5
179.03471	48.2
179.05162	2.3
180.03833	3.1
181.04955	4.1
191.05548	14.6
211.07460	5.0
221.04497	19.6
237.09157	10.2
238.09372	2.0
239.10522	3.5
251.05597	10.0
253.08365	1.4
265.08508	3.0
267.06909	3.7
281.06635	18.4
327.09274	85.7
328.09314	3.3
341.08649	10.6
367.10046	5.2
471.11481	6.5
489.12238	100.0
490.12784	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	489.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61008	1.2
57.03407	1.7
59.01372	25.7
71.01373	37.3
73.02943	9.3
75.00818	1.4
83.01336	2.8
85.02943	20.3
87.00871	48.1
89.02433	23.6
93.03390	5.5
95.01381	8.1
96.95954	4.7
101.02434	14.1
109.02877	3.0
111.00861	1.3
113.02436	62.3
117.21803	1.1
119.03493	6.3
119.05016	9.0
121.02852	1.6
130.37572	1.2
131.04958	1.7
133.02951	7.2
134.03667	2.8
135.04509	60.9
136.04771	2.7
137.02429	11.2
138.03181	2.2
139.03920	1.2
141.01820	1.4
143.03421	2.9
143.04903	1.8
145.02859	2.4
145.06386	1.9
147.04463	1.3
148.05193	2.3
149.02382	1.6
149.06085	6.2
150.03207	1.3
161.02443	39.0
161.04503	21.8
162.02773	1.7
163.04008	9.0
163.06004	2.2
165.01915	7.3
165.05447	2.6
166.02654	3.3
173.04448	2.5
175.03777	1.2
177.05531	16.5
179.03471	48.2
179.05162	2.3
180.03833	3.1
181.04955	4.1
191.05548	14.6
211.07460	5.0
221.04497	19.6
237.09157	10.2
238.09372	2.0
239.10522	3.5
251.05597	10.0
253.08365	1.4
265.08508	3.0
267.06909	3.7
281.06635	18.4
327.09274	85.7
328.09314	3.3
341.08649	10.6
367.10046	5.2
471.11481	6.5
489.12238	100.0
490.12784	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	489.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	0.8
59.01368	12.8
61.98813	2.8
67.53024	0.5
69.03444	0.9
69.53930	1.8
69.54362	1.7
71.01378	8.4
72.99294	1.2
73.02928	1.1
75.84342	0.5
82.76620	0.4
83.19038	0.5
85.02930	2.9
87.00879	1.5
89.02435	8.8
93.03445	1.4
95.01364	0.6
99.00890	0.8
101.02428	5.2
105.03418	0.7
108.02151	2.1
109.02954	1.9
113.02422	2.7
117.03455	2.0
118.98019	1.0
119.03519	2.9
119.05022	1.6
121.02967	0.6
123.04482	0.7
132.02153	1.0
133.02933	26.1
134.03706	1.4
135.03458	0.8
135.04506	16.6
136.04845	0.5
137.02380	0.6
143.03448	0.6
145.02946	1.6
147.04478	0.6
149.02409	0.6
151.04004	0.6
152.01123	4.1
161.02420	100.0
162.02734	3.3
163.03983	4.2
164.04808	0.6
165.07605	2.7
173.04480	0.9
175.03928	0.5
177.05547	1.3
179.03477	10.7
179.05649	1.1
179.07040	0.7
180.03854	0.9
181.03787	0.5
187.03989	0.6
191.05569	2.0
193.05031	0.9
195.06461	0.7
201.58855	0.5
205.21651	0.5
210.06851	0.6
211.07622	2.8
221.04613	1.4
223.07637	0.9
237.09238	0.9
243.06488	0.8
251.05589	0.8
267.15884	0.7
278.44778	0.5
281.06662	1.4
315.10852	0.7
315.24902	0.5
327.08701	1.2
337.75140	0.6
414.05481	0.6
429.14114	0.8
429.21179	2.7
445.66040	0.6
447.15192	2.0
454.54141	0.5
488.64609	1.1
489.16150	83.1
490.16504	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	489.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02953	3.0
59.01370	100.0
70.23363	4.0
82.02970	5.4
84.04530	19.3
89.75397	1.4
93.03381	1.8
93.23266	1.4
94.03027	1.7
96.04540	1.8
97.04089	2.6
99.05641	1.6
101.07187	2.8
102.63726	1.6
104.05063	2.9
107.03766	1.7
108.04543	5.7
113.02552	1.8
118.03040	1.8
119.05002	2.4
120.04554	7.5
122.02485	3.9
122.06091	2.1
123.03262	4.8
124.04031	4.0
127.05108	2.1
127.54659	1.8
128.03590	1.5
132.04576	8.0
134.02454	3.2
134.06056	3.5
135.04492	3.1
137.06082	5.7
138.05588	33.5
145.06142	11.8
146.06096	9.2
148.04047	2.3
148.07674	1.8
149.04791	5.5
149.06020	3.8
150.05595	2.7
151.07593	1.6
152.03508	2.2
152.07104	3.1
152.99602	1.4
153.06664	3.1
155.08267	3.8
161.02371	1.7
162.05580	3.5
164.07130	58.4
172.07651	3.4
178.08707	8.0
179.03635	2.4
179.05664	3.0
179.07126	38.9
179.08730	1.9
182.08191	25.9
183.07651	1.6
188.07123	3.0
188.10797	3.5
189.06654	24.9
194.08275	1.7
196.09831	2.1
204.10223	9.9
215.08200	8.7
221.09256	13.5
227.06628	5.4
231.11377	4.0
233.09338	5.1
247.07219	5.8
247.10837	29.5
248.11240	1.7
249.12369	2.7
261.05466	13.7
263.13943	2.1
265.08359	14.0
265.11786	17.5
275.10269	1.6
281.14941	3.1
307.13058	2.1
309.10831	32.3
325.13986	17.6
434.41779	2.2
489.18451	25.3
490.19162	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	13.1
60.70036	2.9
61.98813	5.4
67.41629	3.1
70.43286	8.0
71.05004	4.2
89.66035	3.3
94.68527	3.0
96.95979	5.4
165.12772	12.3
174.41895	3.4
197.02173	5.0
247.20631	7.2
253.97673	3.5
256.14359	3.2
261.89795	2.8
271.02872	3.0
281.56750	3.0
291.16577	6.4
291.19632	100.0
292.19867	7.4
362.43500	3.7
427.31894	6.1
441.60425	3.7
445.33347	6.9
471.30847	7.2
488.34512	7.7
489.22150	7.1
489.32324	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
57.03439	3.0
58.00594	0.9
59.01371	22.7
60.01691	0.2
67.01860	0.1
68.99811	0.4
69.03440	0.8
69.27003	0.9
71.01371	43.5
72.01716	0.4
72.99297	1.5
73.02933	16.7
74.03271	0.2
75.00871	0.7
81.03445	0.3
83.01374	8.1
84.01716	0.2
84.02178	0.3
85.02937	22.9
86.00077	1.0
86.03268	0.4
87.00372	0.2
87.00865	1.9
89.02429	7.4
95.01371	3.5
97.02934	1.7
99.00867	6.8
100.01181	0.1
101.02427	38.4
102.02734	0.6
111.00871	1.1
113.02429	18.5
114.02772	0.3
115.03967	0.2
119.03468	1.1
125.02417	1.7
129.01906	1.2
131.03479	1.4
136.49657	0.1
139.00359	0.1
141.01924	0.3
143.03477	2.1
149.04536	1.1
159.02966	3.8
161.04527	24.1
162.04852	0.6
179.05592	0.1
182.16832	0.1
187.32188	0.1
191.05569	0.2
195.17444	0.2
205.03477	0.4
215.05554	0.2
233.06665	0.4
237.18660	0.1
265.17935	0.3
272.55136	0.1
282.26566	0.1
293.08737	0.3
357.22742	100.0
358.23083	7.9
401.21686	0.8
402.21594	0.1
489.26953	27.2
490.27338	2.6
490.34418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.9
56.99600	0.1
56.99831	0.1
57.03446	3.4
58.00592	1.3
59.01376	24.1
60.01715	0.1
61.98830	0.1
67.01899	0.2
68.99815	0.3
69.03448	1.0
69.30141	0.4
69.30564	0.2
71.01375	54.7
72.01714	0.6
72.99303	1.9
73.02940	20.0
74.03280	0.3
75.00864	1.0
81.03458	0.4
83.01379	10.7
84.01715	0.1
84.02168	0.3
85.02943	29.4
86.00098	1.4
86.03259	0.4
87.00862	2.5
87.04500	0.2
89.02437	9.1
90.02785	0.1
93.03483	0.1
95.01377	4.1
97.02945	1.8
98.19915	0.1
99.00872	8.9
99.04486	0.2
100.01205	0.2
101.02434	48.6
102.02765	0.7
111.00869	1.3
111.04478	0.1
113.02437	22.5
114.02761	0.4
115.04008	0.3
117.01891	0.1
119.03497	1.0
125.02431	2.1
129.01936	1.6
131.03487	1.7
137.02428	0.1
139.00414	0.1
141.01938	0.3
143.03488	2.9
144.03758	0.1
149.04518	1.3
159.01619	0.2
159.02971	4.4
161.04539	26.9
162.04871	0.5
162.94153	0.1
173.04547	0.1
179.05560	0.2
191.05617	0.3
193.15990	0.1
205.03502	0.6
215.05598	0.2
233.06686	0.5
237.18832	0.1
253.62640	0.1
265.18097	0.3
293.08804	0.3
326.10034	0.1
342.09933	0.1
357.22757	100.0
358.23108	8.0
401.21774	1.0
470.37366	0.1
489.26971	24.7
490.27261	2.5
490.34326	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	489.3585
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
53.21520	0.4
54.84678	0.4
57.03452	0.4
59.01368	2.4
60.99285	1.7
61.98806	0.7
62.80540	0.3
71.01352	0.6
71.05003	1.2
71.51003	0.5
85.06574	1.6
87.00885	0.5
97.06574	0.6
105.34454	0.4
112.87559	0.4
133.58696	0.5
160.66380	0.4
189.12825	0.4
191.14316	2.2
235.13043	0.6
237.14905	2.6
237.18619	0.4
246.24239	0.4
251.16423	0.9
253.18080	0.6
262.76923	0.4
267.84644	0.4
345.27820	0.5
357.27744	0.5
374.38290	0.5
385.30942	0.6
399.32480	0.5
401.33676	0.8
425.34042	1.6
427.31918	1.2
429.33768	0.7
445.37402	0.7
453.29886	0.7
459.34512	0.7
469.32602	0.6
471.34357	5.3
489.36139	100.0
490.36539	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	490.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.7
59.01372	100.0
60.01699	0.8
61.98826	3.5
63.72372	0.7
71.01366	3.0
73.02956	1.1
74.02469	5.0
75.00875	0.8
78.41252	0.8
85.02958	1.5
87.00874	0.9
96.96001	6.0
101.02443	1.5
106.04215	1.1
107.04984	0.7
107.59209	0.7
116.05048	1.0
119.05031	2.5
124.04011	1.1
130.06607	2.1
133.02914	0.8
133.31535	0.7
135.04523	2.2
137.06075	18.2
138.06436	0.8
146.06122	0.9
147.04546	1.2
148.07657	1.7
157.05338	2.5
158.06140	2.7
160.04051	2.6
161.02470	2.2
161.04784	1.4
162.09200	1.1
162.49289	0.7
164.07208	1.2
172.07704	1.0
174.05606	4.0
174.09300	1.7
175.06337	5.1
176.07153	11.1
177.05615	0.8
178.08708	1.2
179.03499	2.3
181.43660	0.7
182.08286	1.1
184.03990	1.2
188.07187	1.2
190.08740	11.2
192.06630	1.9
202.05118	1.6
204.06580	0.8
204.10315	2.0
206.08228	1.6
207.08919	1.3
208.09734	1.6
216.06633	13.4
218.08325	2.4
220.06171	1.0
222.11304	3.5
232.09840	1.0
233.06952	1.3
234.07669	8.9
248.09306	2.7
250.10921	2.7
252.08783	6.4
266.10303	16.8
266.35504	0.7
267.10794	0.9
269.21301	1.0
276.08862	3.8
284.11407	1.2
287.22278	4.5
294.09894	3.5
308.11322	26.4
309.11816	0.8
326.12369	11.3
341.10486	0.9
354.13651	1.0
372.14505	3.0
431.26526	1.2
449.27594	3.8
489.27338	1.3
490.17133	21.3
490.27765	2.0
491.17746	1.4
491.28513	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	490.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.8
70.35676	2.9
84.04524	2.1
100.04030	1.6
101.02391	2.1
102.05605	18.1
104.05145	1.1
108.04546	1.1
116.05029	2.9
118.06602	3.8
119.04989	1.1
119.07429	1.2
120.04528	1.4
122.02459	12.3
127.88126	0.9
130.06628	2.1
131.03784	4.8
132.04506	2.2
137.06039	4.0
138.05545	1.5
144.04611	1.0
144.08162	10.0
146.04613	6.4
146.06085	15.1
146.09669	1.2
148.04010	2.8
148.07642	1.1
149.06084	2.9
150.05638	1.1
152.07127	1.4
154.35254	0.9
157.05319	15.4
162.09291	1.0
163.06355	7.2
164.03569	1.2
164.07155	8.3
172.07646	32.6
173.07991	1.8
174.05577	9.3
175.06329	2.7
176.07045	1.0
178.08707	37.5
179.07085	1.2
182.08180	15.7
183.30937	1.1
185.17316	1.0
188.07184	6.8
189.07928	5.2
190.05098	2.4
190.08711	9.8
202.08688	2.8
204.10257	100.0
205.10551	3.6
208.06104	1.4
220.13200	1.1
222.07799	10.7
222.11293	34.8
222.13487	1.9
223.11644	1.2
232.09602	2.0
234.07669	1.5
248.09288	4.5
266.10303	24.1
267.10620	2.2
273.16992	1.0
277.37418	1.1
291.93765	1.0
308.11374	2.4
446.18210	2.8
467.06717	1.1
469.81369	1.0
490.17087	34.7
491.17267	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	490.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34088	0.6
57.32991	0.8
59.01373	100.0
60.01706	0.9
61.20168	0.5
61.98824	2.3
63.52359	0.7
71.01376	6.0
71.52808	0.6
73.02933	1.1
78.91876	2.8
84.04563	1.1
85.02946	2.6
88.04029	9.0
88.12568	0.5
89.02447	4.8
93.03483	0.8
95.01360	0.7
95.78720	0.6
96.95990	2.9
96.99323	0.6
98.00088	1.3
101.02439	4.4
101.02972	0.5
102.05580	1.3
107.05027	1.0
113.02470	2.5
119.03535	2.0
119.05057	1.7
122.02505	0.9
123.03259	0.8
123.04543	0.6
124.04050	1.7
132.04590	1.7
133.02917	1.2
135.04544	1.8
137.06087	3.4
138.05605	9.8
145.03009	0.7
146.06155	2.0
146.08273	1.5
149.06029	1.0
152.03569	1.7
157.05293	1.2
161.02464	2.1
161.04616	0.7
162.09305	1.0
164.07132	5.6
171.10330	0.8
172.07684	2.6
174.05643	1.8
178.08716	3.7
179.03519	1.3
179.05655	0.9
179.07115	16.9
179.08734	0.8
188.07158	1.1
190.08786	2.0
196.06181	1.0
204.10263	9.9
206.08157	2.9
208.06160	1.2
213.24432	0.6
216.06596	1.2
216.09752	2.3
220.09702	0.6
222.07823	1.6
222.11423	2.2
229.08736	0.7
236.09258	6.0
238.09198	1.3
247.09703	1.0
248.09251	2.8
266.10281	5.8
280.08209	1.4
308.11362	1.1
310.09552	0.7
310.13132	0.6
334.19391	0.7
345.11877	0.6
477.19376	1.1
489.26959	1.5
490.17529	4.6
490.26859	3.4
491.28497	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	490.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53515	2.4
59.01373	100.0
61.98800	4.2
69.86272	10.4
81.97331	2.1
90.25768	2.1
91.05481	2.0
117.56316	1.9
118.06627	5.4
119.04991	3.8
137.06065	39.3
137.37686	1.9
145.06581	8.9
146.06110	10.2
147.04509	5.9
149.06100	3.2
150.26537	2.1
158.40179	2.3
176.07181	2.5
178.08691	27.1
222.09479	2.1
250.12308	9.4
257.25021	2.3
276.10324	2.8
282.14880	4.9
294.11194	2.9
308.12851	25.9
326.13931	22.1
327.14157	2.2
342.86923	2.1
440.24316	2.2
472.31363	2.7
489.35919	20.7
490.18729	41.3
490.36514	37.2
491.19037	2.9
491.34174	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	490.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04546	0.7
59.01372	100.0
59.12368	0.7
60.01716	1.5
65.65357	0.6
67.01881	1.5
67.41426	0.6
68.99831	0.7
69.03451	1.0
69.66737	4.3
85.02962	1.2
93.03448	4.2
96.91298	0.7
101.02448	2.0
107.05050	0.9
108.04595	0.6
111.00875	8.4
111.04507	4.1
112.01208	1.4
113.02454	1.8
114.02835	0.6
119.05029	1.1
120.04597	0.6
122.02447	1.2
123.03259	1.7
123.04498	3.8
124.04031	2.3
127.04003	2.5
128.04337	0.9
130.08716	2.8
135.04507	2.3
137.02448	1.4
137.04813	1.4
137.06071	0.8
138.05588	15.6
139.00328	4.1
140.00668	0.8
146.09760	1.0
151.31062	0.7
152.07172	1.5
153.02025	0.8
153.05565	4.1
154.05885	0.7
165.01935	1.1
169.03802	1.6
174.09195	6.0
176.10789	2.1
179.03516	0.8
180.10278	44.7
181.10675	0.9
187.80798	0.7
190.12378	2.9
195.06598	80.1
196.06953	3.1
205.05132	0.8
206.11830	21.9
216.13844	2.6
222.14923	2.6
223.06151	1.9
248.16560	2.9
250.10828	14.1
260.12979	0.7
266.17593	1.1
273.07678	2.1
274.07968	2.3
274.14340	0.8
275.05634	2.1
276.05920	1.6
292.15530	2.5
307.08145	7.2
308.08459	5.7
310.16519	4.0
315.08627	1.6
316.09055	2.3
334.10056	0.9
417.72586	0.9
472.19647	2.0
490.20831	39.6
491.21143	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	491.1191
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
50.15174	0.3
55.01863	0.4
57.03421	0.4
59.01376	4.9
68.28738	0.3
71.01374	5.6
72.99295	0.4
73.02930	1.5
75.00859	4.5
83.01405	0.6
83.04989	0.4
85.02956	1.8
87.00916	0.4
89.02444	2.7
93.03421	0.5
95.01377	0.6
99.00867	1.3
99.04504	0.8
101.02443	2.6
105.01922	0.7
105.03448	0.6
107.05030	0.6
108.02157	1.3
109.02943	1.2
109.06573	1.0
113.02428	1.7
117.03441	0.9
119.03527	0.5
119.05029	0.6
121.02941	1.7
122.03726	6.3
123.04513	7.2
125.02464	0.4
132.02151	1.3
133.02945	33.7
134.03813	1.9
135.04524	13.1
135.08145	4.0
136.04811	0.5
137.02437	1.5
138.31877	0.3
147.04538	0.6
149.02397	0.8
149.04703	0.4
149.06017	0.7
150.03194	1.3
151.03964	0.5
153.09209	3.4
159.04482	1.1
160.01622	0.5
160.05272	1.2
161.02426	100.0
162.02754	3.5
163.03983	0.8
165.05534	1.8
167.03542	0.3
175.04056	0.6
175.07617	1.2
176.04752	0.4
176.27205	0.3
177.05524	1.5
178.02742	0.8
178.06247	0.4
179.03477	7.5
179.05261	0.4
179.05649	0.4
179.07021	0.3
179.92323	0.3
189.05563	0.4
193.05034	0.8
195.06558	0.5
197.08194	2.6
203.03552	0.4
211.09676	0.3
220.03691	0.5
221.04553	1.0
235.06059	0.5
280.05820	0.4
323.07654	5.2
329.08551	2.3
329.14078	3.8
357.14755	0.6
431.22949	1.6
447.12900	34.1
448.13126	2.7
473.10828	9.0
474.10986	0.9
491.11899	31.3
491.17972	9.1
492.12195	2.4
492.18396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1192
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
53.76613	0.5
59.01364	2.4
61.98798	0.6
62.75910	0.4
71.01373	2.5
73.02932	0.5
79.59905	0.5
81.03435	1.2
85.02942	2.7
89.02440	0.7
93.03441	0.8
95.01371	1.4
96.95999	1.3
101.02406	0.9
108.02161	42.9
109.02947	30.2
112.21094	0.5
113.02422	1.5
121.02966	0.6
123.00803	1.1
123.04498	1.2
128.38728	0.5
131.10143	0.5
132.02155	5.6
133.02948	4.3
134.03725	7.7
135.00861	1.9
135.04546	3.8
137.02374	0.9
149.02449	0.6
149.06055	0.7
150.35046	0.5
151.03981	1.0
152.01135	57.1
153.01926	26.9
153.09201	1.0
154.02211	0.8
160.01636	24.7
161.02422	17.0
162.02687	0.6
163.03926	1.0
167.03441	1.1
175.03975	22.9
176.04311	0.8
178.02701	0.8
179.03453	2.3
193.05081	3.8
197.08128	1.0
221.04460	0.6
226.50163	0.5
229.23766	0.6
243.06319	0.7
257.08255	0.5
281.04443	0.8
311.09152	1.2
315.07184	18.1
316.07370	0.9
323.07629	3.0
337.09167	1.1
363.10223	0.5
431.22754	0.7
447.12741	1.8
459.09164	1.6
491.11819	100.0
492.12070	8.3
492.18420	0.7
496.11642	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	491.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15174	0.3
55.01863	0.4
57.03421	0.4
59.01376	4.9
68.28738	0.3
71.01374	5.6
72.99295	0.4
73.02930	1.5
75.00859	4.5
83.01405	0.6
83.04989	0.4
85.02956	1.8
87.00916	0.4
89.02444	2.7
93.03421	0.5
95.01377	0.6
99.00867	1.3
99.04504	0.8
101.02443	2.6
105.01922	0.7
105.03448	0.6
107.05030	0.6
108.02157	1.3
109.02943	1.2
109.06573	1.0
113.02428	1.7
117.03441	0.9
119.03527	0.5
119.05029	0.6
121.02941	1.7
122.03726	6.3
123.04513	7.2
125.02464	0.4
132.02151	1.3
133.02945	33.7
134.03813	1.9
135.04524	13.1
135.08145	4.0
136.04811	0.5
137.02437	1.5
138.31877	0.3
147.04538	0.6
149.02397	0.8
149.04703	0.4
149.06017	0.7
150.03194	1.3
151.03964	0.5
153.09209	3.4
159.04482	1.1
160.01622	0.5
160.05272	1.2
161.02426	100.0
162.02754	3.5
163.03983	0.8
165.05534	1.8
167.03542	0.3
175.04056	0.6
175.07617	1.2
176.04752	0.4
176.27205	0.3
177.05524	1.5
178.02742	0.8
178.06247	0.4
179.03477	7.5
179.05261	0.4
179.05649	0.4
179.07021	0.3
179.92323	0.3
189.05563	0.4
193.05034	0.8
195.06558	0.5
197.08194	2.6
203.03552	0.4
211.09676	0.3
220.03691	0.5
221.04553	1.0
235.06059	0.5
280.05820	0.4
323.07654	5.2
329.08551	2.3
329.14078	3.8
357.14755	0.6
431.22949	1.6
447.12900	34.1
448.13126	2.7
473.10828	9.0
474.10986	0.9
491.11899	31.3
491.17972	9.1
492.12195	2.4
492.18396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38874	0.6
59.01374	10.2
59.76387	0.7
60.99302	14.0
61.98820	2.2
65.20444	0.6
71.01382	4.3
71.62151	0.9
73.02947	1.0
74.89433	0.6
75.00879	0.9
85.02952	1.3
87.00858	0.9
88.00409	0.9
88.98798	100.0
89.02436	10.4
89.99139	0.8
95.01390	0.7
101.02448	3.5
103.01354	0.7
105.01931	1.9
111.00865	0.6
113.02433	1.6
119.03475	1.0
121.02960	1.2
123.04531	0.9
133.02908	1.5
133.05035	0.7
134.03761	0.9
135.04509	3.4
149.04533	1.6
150.03183	2.6
161.02435	2.3
161.04500	1.7
164.04671	0.7
165.05513	2.6
175.03947	1.4
176.04596	0.7
177.04214	0.6
179.03499	1.5
179.05573	1.8
185.66528	0.7
193.05042	2.1
195.06622	1.5
197.08162	3.0
235.06100	2.0
248.08112	0.7
285.07571	0.8
311.09119	1.0
349.30246	0.7
401.14456	1.0
404.32785	0.7
431.23001	3.1
491.17755	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	491.1553
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
54.42798	0.3
58.50386	0.3
59.01371	13.9
61.98824	1.8
69.51874	3.0
71.01370	6.9
72.99309	0.7
73.02931	0.8
85.02937	1.8
87.00865	0.6
89.02435	5.7
96.96001	7.5
101.02429	4.4
105.03407	0.6
107.05067	0.5
108.02190	0.9
109.02947	2.7
113.02460	3.1
117.03436	1.8
119.03474	2.3
123.04508	4.2
124.25822	0.4
132.01367	0.2
132.02156	15.1
133.02943	11.4
134.03729	14.7
135.04509	18.4
136.04829	0.5
137.02402	0.8
147.04507	1.3
148.05249	0.8
149.06055	2.2
150.03195	0.6
152.01176	1.0
153.01901	2.5
153.05510	3.3
160.01639	66.4
161.02423	43.5
162.02806	1.4
165.52615	0.4
173.06091	0.4
175.03976	100.0
176.04576	4.6
177.01944	0.6
177.05490	0.6
178.02705	1.6
179.03459	4.0
191.07146	3.5
191.08751	0.7
193.05011	11.0
194.05316	0.5
195.06682	0.9
207.06618	1.8
220.03857	0.8
221.04581	0.6
230.96815	0.4
235.06125	4.3
253.03889	0.4
265.07062	0.4
271.17667	0.4
295.08167	1.1
297.09750	1.4
315.07355	0.8
315.10748	8.4
315.14133	0.7
316.11145	0.5
337.09235	1.6
491.15607	77.9
492.15906	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	491.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59590	0.4
55.01869	2.6
56.12087	0.3
57.03437	1.8
58.00591	0.4
58.03804	0.4
59.01374	19.6
60.01714	2.3
61.01786	0.7
61.98823	100.0
69.03442	0.7
69.45831	2.6
70.36665	0.4
71.01375	29.3
72.01711	5.7
72.99298	1.2
73.01784	2.0
73.02936	12.3
74.03274	2.0
75.00890	0.8
75.03367	0.7
83.01381	5.5
84.01695	1.0
85.02944	14.4
86.00087	0.8
86.03269	3.2
87.00870	1.4
87.03393	0.6
89.02435	5.2
90.02772	1.0
91.02866	0.8
95.01397	2.1
96.01702	0.5
97.02952	1.1
98.03288	0.5
99.00864	4.9
100.01196	1.4
101.02431	24.8
102.02767	5.3
102.05578	0.5
103.02835	2.5
111.00880	0.8
112.83199	0.4
113.02430	11.2
114.02755	3.1
115.02884	0.8
119.03490	0.5
125.02429	1.2
126.02757	0.5
127.02875	0.5
129.01915	1.0
131.03473	1.0
137.06078	1.3
143.03479	1.4
144.03770	0.6
149.04524	0.9
159.02975	2.4
160.03310	0.9
161.04541	12.1
162.04883	5.2
163.04950	2.8
178.08751	0.8
327.16287	0.9
357.22742	14.9
358.23099	35.3
359.23346	33.4
360.23508	0.8
403.21942	0.5
428.17072	6.8
431.26166	0.6
490.27271	13.1
491.21729	1.1
491.27515	27.6
492.27777	1.1
514.46338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23871	2.4
52.72229	2.4
57.03439	3.9
57.16387	2.2
59.01363	9.1
70.63784	2.0
70.83968	5.1
70.84315	3.5
71.01364	4.7
81.03416	3.1
85.06576	13.9
89.02417	3.1
96.96027	4.0
101.02451	6.0
112.85606	2.5
113.02426	2.3
113.06078	16.6
115.03999	36.6
135.04489	3.1
142.19476	2.6
143.94260	2.2
174.88991	6.9
175.06093	100.0
184.13060	2.6
191.05629	3.9
261.83459	2.2
315.10861	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	491.1765
Annotation	Rhyncoside D
Peak:m/z	Relative Intensity
55.01865	2.0
57.03443	3.4
58.00583	1.1
59.01373	20.8
61.98820	1.3
64.42442	0.6
69.03442	1.1
71.01374	35.8
72.99274	0.7
73.02940	2.7
81.03439	0.7
83.01375	2.5
85.02942	40.3
87.00871	2.3
88.12936	0.5
88.98789	1.0
89.02436	12.8
95.01376	16.3
96.95995	9.2
96.96944	1.3
97.02930	0.6
99.00843	1.0
99.04511	0.9
101.02439	6.7
102.37212	0.5
103.04004	1.1
106.03712	0.5
107.05021	0.8
113.02437	73.9
114.02794	1.2
119.03459	3.0
119.05015	0.6
121.02953	1.0
123.04503	2.0
125.02452	1.3
131.03508	0.7
133.05040	1.5
134.03694	1.1
135.04454	1.3
137.02422	0.7
143.03491	1.8
149.02472	0.8
149.05989	0.8
150.03206	20.6
151.03903	0.8
151.07758	0.5
161.04538	6.6
163.06084	0.9
164.04793	0.5
164.86192	0.5
165.05504	3.5
167.03415	3.5
167.07144	1.3
168.04208	1.1
179.05507	1.2
180.81657	0.6
191.05519	0.9
209.04533	5.6
213.07648	1.1
226.28087	0.5
235.06100	0.8
239.05563	2.7
269.10382	1.7
289.85095	0.6
312.07764	0.6
327.10828	0.6
345.11826	2.8
357.11731	1.0
371.07602	1.5
375.12866	2.4
401.08481	0.6
431.15442	4.5
431.22693	2.5
476.15253	5.5
491.17673	100.0
492.17953	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	491.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.8
57.03435	5.9
58.94691	1.6
59.01374	82.7
61.98812	2.4
65.28599	1.6
69.03439	2.4
71.01376	100.0
71.61367	2.5
72.01698	2.2
72.99299	4.6
73.02934	11.5
75.00864	3.7
79.75616	1.6
81.03445	3.2
83.01370	12.0
83.48264	1.6
85.02946	55.6
85.81084	1.6
86.03252	2.0
87.00870	9.7
88.98786	3.0
89.02438	55.7
89.02993	3.8
90.32402	1.6
93.03447	6.0
95.01385	17.6
96.96006	3.9
97.02926	5.2
99.00880	29.4
101.02437	62.9
109.02919	2.9
111.00901	2.1
111.04538	1.9
113.02434	91.5
114.02766	6.5
115.02900	3.7
115.03925	1.6
119.03493	23.8
119.04955	2.5
121.02953	3.5
122.03703	6.5
125.02410	7.7
131.03506	4.1
135.04477	5.3
137.02390	8.0
143.03476	17.5
149.02438	3.4
149.04521	3.2
150.03188	18.7
152.04781	46.5
161.04535	58.9
162.03210	1.9
162.04849	5.8
165.01892	3.1
165.05551	24.9
166.02641	2.3
167.03477	2.2
167.07118	25.7
169.75172	1.7
177.05568	5.5
179.03448	1.9
179.04163	1.7
179.05582	13.9
181.05014	1.9
191.05644	11.6
195.06592	11.2
203.05634	2.0
209.04700	1.9
215.25986	2.0
221.06517	3.6
221.08429	2.2
237.09175	3.0
293.08878	2.5
323.09790	77.3
324.10083	3.2
375.12939	2.1
395.29428	2.0
431.22653	6.3
491.16934	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	491.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48170	0.7
55.01863	0.9
56.07600	0.8
57.03437	2.0
57.54954	0.8
59.01371	17.8
61.98820	24.3
68.99782	1.1
70.67404	0.7
71.01376	25.0
71.61488	1.3
72.99287	3.6
73.02927	2.0
75.00848	1.2
77.10306	0.7
81.03422	1.1
83.01397	1.6
85.02425	1.5
85.02939	28.2
87.00865	3.4
89.02437	11.0
91.43972	0.7
93.03426	2.3
95.01376	11.7
96.95997	2.0
99.00847	2.1
101.02426	4.3
103.03995	1.5
105.03454	2.7
108.02174	1.8
109.02937	2.6
113.02434	77.0
114.02782	1.5
119.03496	1.9
119.04987	0.9
121.02950	4.0
122.03732	4.3
123.04510	48.8
124.01598	0.7
124.04946	1.0
125.02448	1.6
131.03467	1.8
133.02888	0.8
134.03812	0.9
135.04515	1.9
136.96655	0.9
137.02470	3.7
141.01926	2.2
143.03479	4.7
145.02925	1.5
149.02373	4.0
149.06012	1.0
149.29581	0.8
149.30801	0.9
150.03201	26.6
151.03983	100.0
152.04326	3.3
153.05597	1.1
158.41034	1.0
161.04536	33.4
162.04799	0.9
163.03969	3.0
163.06065	1.3
164.04367	0.9
165.01894	3.6
167.03523	1.8
177.05466	1.0
179.05600	0.8
191.05551	1.5
193.04910	0.9
195.06610	2.2
197.08295	1.0
205.05132	2.2
209.04558	1.0
228.96344	1.0
236.88802	0.8
269.10172	0.7
313.09293	1.0
325.11514	1.2
356.25366	0.9
369.06610	0.8
409.43311	0.9
431.22668	1.9
459.15005	72.9
460.15469	6.5
473.15817	1.2
491.18213	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	491.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09665	1.3
58.90014	1.3
59.01381	6.0
59.41271	1.3
60.15850	1.5
61.78790	1.3
64.43993	1.3
69.82296	3.2
69.82709	5.7
77.37457	1.3
80.02708	1.4
90.23707	1.4
90.40160	1.4
133.65237	1.5
188.66333	1.9
195.13861	4.1
223.13443	4.2
256.97171	1.6
275.20093	3.3
290.52393	1.7
293.21204	100.0
294.21500	6.0
491.23969	5.0
491.33670	12.0
492.24481	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85199	3.1
59.01374	50.2
61.98811	12.1
63.80347	2.8
71.01363	5.7
71.62147	5.1
85.02915	5.7
89.02471	4.7
91.96371	3.3
101.02437	7.6
113.02434	5.1
123.50839	3.7
132.02055	3.3
133.90286	2.9
135.04527	5.1
152.99529	3.6
161.02415	6.0
165.12788	14.9
172.10817	3.3
174.36742	3.1
217.55524	3.6
247.20551	5.8
273.18408	4.1
291.19614	100.0
292.19861	5.9
313.23737	7.8
361.91028	4.0
468.66138	3.9
490.36057	5.6
491.15909	7.2
491.24054	27.3
491.36331	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	492.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07577	0.7
59.01373	100.0
69.53578	4.8
98.20592	1.1
119.04992	1.8
122.02435	1.0
123.04465	2.9
137.05066	1.2
137.06065	16.1
144.04500	2.2
146.06041	0.9
148.04385	6.7
150.05580	2.4
167.62415	0.8
176.07161	5.5
178.05048	1.3
179.07117	40.3
180.02895	1.5
180.07378	1.0
186.09100	0.9
192.04886	3.9
194.06389	4.9
198.05911	36.6
199.06317	1.1
208.07950	1.0
218.11650	1.3
224.07477	24.7
244.09761	1.0
262.10645	1.2
266.12146	1.2
268.06445	43.1
269.06784	2.0
284.13055	1.1
286.07410	1.2
292.10101	1.2
310.11130	10.7
328.12277	5.1
492.16867	7.8
493.17316	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
61.98822	100.0
62.98529	0.3
64.41628	0.2
69.49056	1.3
69.49464	0.3
71.01375	0.8
72.99383	0.2
85.02950	0.2
96.17044	0.2
98.20575	0.5
101.02445	0.5
107.05035	0.4
113.02457	0.3
115.00361	0.6
124.28469	0.2
135.04498	0.2
187.11221	0.7
190.08629	0.5
195.06589	0.6
208.09961	0.3
223.13350	2.7
249.11292	0.5
267.12341	5.2
429.17615	2.3
430.18054	0.3
492.15454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.3
61.98821	100.0
71.01375	2.2
85.02962	0.4
89.02431	3.0
99.04525	0.5
101.02448	1.1
105.66008	0.3
113.02444	0.9
115.00403	0.4
119.03496	1.3
138.08614	0.3
139.79643	0.3
161.13374	0.6
179.05627	1.2
204.10094	0.3
205.12306	2.2
249.11285	4.3
249.13666	0.4
250.11763	0.3
264.09305	0.3
309.15005	0.3
429.17578	3.4
438.05365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65025	0.7
51.70037	0.6
59.01373	100.0
61.98849	0.9
67.01898	0.9
68.99803	1.5
70.76276	1.6
71.01376	3.1
73.02964	1.0
84.71362	0.7
85.02959	2.2
89.02438	1.1
93.03461	2.4
94.03831	1.1
94.41686	0.7
95.01395	1.7
101.02438	3.5
106.04238	1.3
107.05043	1.3
111.00860	5.6
111.04530	2.7
112.01232	1.6
113.02424	1.3
115.27489	0.7
116.14740	0.7
119.05049	2.5
121.08677	0.7
127.04012	1.4
135.04555	1.2
137.02492	1.4
137.06065	31.0
139.00363	3.7
140.00734	1.9
142.47398	0.7
161.04605	0.9
163.04068	0.9
178.05049	3.5
179.07088	1.8
195.47685	0.8
268.06442	1.1
274.07895	0.9
275.05695	1.0
276.05905	1.0
307.08252	3.9
308.08508	8.3
316.09097	3.4
334.10025	0.9
337.69739	0.7
341.21744	1.0
379.52655	0.7
379.86981	0.7
395.96323	0.7
413.28232	0.9
418.50079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94204	0.8
54.47595	0.7
55.51266	0.7
59.01371	41.5
60.62690	0.7
67.01908	0.8
70.03619	3.4
84.04545	2.6
87.96989	0.8
95.01405	0.8
100.04042	1.4
102.05585	12.6
104.05060	0.8
106.06616	8.0
107.05003	1.9
116.05085	0.9
116.45996	0.8
118.06665	1.1
119.05020	2.7
122.02533	1.1
132.04565	2.6
133.05287	1.5
134.03877	1.0
134.06093	5.8
135.04495	3.9
136.07649	2.1
146.06061	0.8
148.03979	1.0
149.04787	3.4
149.06024	1.8
149.81918	0.7
150.01915	0.8
150.05540	1.3
152.03517	3.3
160.01663	1.5
160.07648	0.8
161.02495	0.9
162.05580	36.6
164.03436	1.2
164.07132	36.1
165.04260	10.5
172.07663	1.3
174.05559	0.9
174.09212	4.2
175.03957	3.0
175.07762	0.8
176.04375	0.8
176.07173	4.4
176.10735	0.8
177.05482	3.9
178.05023	5.1
179.03461	1.3
180.02994	1.1
186.09183	2.2
188.03415	1.0
188.07054	1.5
192.06633	0.9
194.08162	16.0
195.06628	9.1
195.08331	1.4
204.10271	7.8
206.04512	6.3
208.06122	3.2
218.11668	0.9
220.09801	1.5
221.04512	2.9
238.07219	3.1
248.09222	6.1
251.07884	1.2
253.07123	9.7
264.08838	1.2
266.10257	5.8
280.11884	4.9
292.08160	1.2
296.11383	4.6
299.79590	0.8
312.14517	3.7
324.10812	3.9
338.12671	1.2
342.09778	3.0
356.13452	30.5
357.13828	2.3
374.12323	0.9
422.36465	0.9
428.13422	1.1
437.38379	0.8
460.16171	7.9
474.17688	1.9
492.18698	100.0
493.19104	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	492.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20990	1.3
57.03047	1.3
58.02967	6.9
59.01365	2.3
74.02469	16.1
76.01363	1.2
80.18624	1.1
86.02480	7.9
87.05659	3.1
90.29025	1.4
96.95979	4.0
97.04050	1.4
99.05627	12.1
101.02470	2.1
101.07191	3.8
108.02151	8.7
109.04065	2.8
111.05600	1.9
112.04001	2.3
125.03536	3.1
127.05097	3.0
128.03529	34.0
128.04424	2.7
135.05630	3.9
138.01956	100.0
139.02269	2.2
143.04608	51.7
143.05736	3.0
145.06171	2.2
146.04576	4.5
153.06674	4.2
157.76518	1.5
167.08215	2.8
170.03275	2.3
171.04076	1.7
179.04630	11.2
181.06097	1.3
197.05713	2.4
210.08833	12.8
219.10542	3.2
254.07756	29.4
257.07794	1.6
272.08841	52.2
273.09351	1.4
363.15924	3.5
474.19131	4.5
492.20212	68.9
493.20441	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	492.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
60.26592	0.3
61.98823	100.0
69.80849	1.6
98.20570	0.5
155.62529	0.4
163.86061	0.4
236.10631	0.5
262.64313	0.4
278.22186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0973
Annotation	Europetin 3-galactoside
Peak:m/z	Relative Intensity
57.03437	0.5
59.01370	9.2
64.07753	0.4
67.33033	0.4
69.03442	1.5
71.01374	7.1
71.60547	0.4
71.60993	0.6
73.02930	1.6
74.02475	0.5
81.03430	1.2
83.01384	1.4
85.02934	4.2
86.72717	0.4
87.00864	1.1
89.02427	4.8
90.76360	0.4
95.01368	2.3
97.02927	1.9
99.00888	1.0
100.00430	0.6
101.02432	5.2
107.01370	0.8
107.04949	0.5
108.02146	0.6
109.02938	1.0
113.02437	7.4
115.00352	0.8
117.03425	0.4
119.03487	2.1
121.02930	0.7
123.00877	5.2
124.01653	15.7
125.02430	43.7
126.02789	1.0
133.02945	8.2
134.03760	0.5
135.04523	6.1
137.02417	1.8
143.03461	0.9
149.99562	32.4
151.00357	3.0
151.03934	0.7
161.02428	20.2
161.04399	2.6
162.02774	0.8
165.01865	0.6
166.04959	0.7
167.03458	1.4
168.00613	63.9
169.01378	6.0
173.05692	0.8
177.05608	0.6
179.03499	3.5
179.05563	2.1
185.50272	0.5
187.00354	0.9
193.01569	0.5
205.01320	0.6
206.08208	0.6
221.04559	0.5
226.56223	0.4
257.73578	0.5
266.71466	0.4
307.26108	0.5
313.05603	8.3
331.06653	62.3
331.17554	1.6
332.06943	2.9
431.39963	0.5
449.10397	0.9
475.08755	0.8
493.09802	100.0
493.22333	4.7
494.10074	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	493.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	10.4
60.97517	7.6
61.98809	7.7
63.96236	15.0
65.00294	2.0
71.01367	4.2
72.99303	17.8
73.98301	2.9
74.99087	15.5
76.97009	5.9
79.95747	9.9
87.00867	100.0
89.02391	3.6
91.01875	3.5
93.03397	2.0
96.96001	10.2
101.02428	4.2
107.05007	2.9
108.02145	9.6
111.00876	2.5
113.02387	2.7
117.03435	2.2
117.97319	3.9
120.99651	3.3
121.02925	14.6
122.03707	6.8
123.00832	5.7
123.04517	20.2
124.01628	5.7
131.04987	3.9
132.98691	2.4
132.99637	25.0
133.02930	4.8
133.06537	2.3
135.04449	4.5
135.98328	8.9
136.01685	11.5
137.02489	3.1
146.03708	4.0
150.03168	17.9
151.00690	57.5
151.04001	15.9
159.04417	2.2
161.02409	9.5
161.06038	5.1
162.03198	5.1
162.84747	1.7
163.04008	2.2
165.05525	12.8
174.03139	4.1
175.03952	7.7
177.05522	7.6
178.99780	5.8
179.03418	2.1
181.08049	2.2
189.05528	5.9
205.04953	3.0
263.90781	1.7
279.06519	3.5
293.08276	3.4
296.06781	7.2
298.08432	20.3
309.07617	2.2
310.08487	4.2
311.09128	11.5
313.10815	25.5
314.10931	2.7
325.10779	4.9
341.10254	57.1
342.10724	7.1
343.11844	42.5
344.11993	3.3
355.11749	4.2
357.07962	1.9
405.10062	25.3
408.14880	1.6
493.11633	73.6
493.29767	4.1
494.11728	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	493.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.7
60.99297	17.2
61.98826	3.9
67.98138	0.8
71.01376	7.3
71.61424	1.3
72.99297	1.8
73.02927	2.1
78.95915	0.8
83.62837	0.9
85.02953	2.1
85.42910	0.8
87.00846	2.7
88.98796	100.0
89.02438	21.4
93.03466	2.4
96.96001	2.6
101.02438	4.0
108.02141	5.1
109.02986	1.9
113.02444	2.5
116.92804	1.0
119.03521	1.3
120.99685	1.0
123.04548	2.1
128.38956	0.9
131.03458	0.8
134.03754	1.0
136.01656	1.0
138.01958	37.5
139.02296	15.6
140.46468	0.8
151.03983	0.9
152.78792	0.9
153.01912	3.1
158.44016	0.8
161.02437	1.9
161.04546	2.2
173.04488	1.7
179.05609	0.9
191.05582	2.0
213.07651	1.4
271.19131	1.3
297.06116	4.4
309.89380	0.8
345.15448	1.6
433.24554	6.0
493.10275	3.6
493.18954	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	493.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	3.6
59.01374	58.3
63.79763	2.9
69.03467	6.9
69.47660	14.1
69.48064	6.4
71.00989	4.0
71.01370	65.5
73.02934	10.2
73.30273	2.7
75.00846	5.1
78.15804	2.8
78.82542	2.7
81.03437	4.7
83.01386	3.7
85.02921	8.7
89.02433	67.3
96.95981	9.9
97.02932	8.8
98.20654	6.4
99.00864	14.3
101.02436	13.4
111.00872	3.5
113.02403	9.1
115.03984	6.3
124.01628	20.2
125.02439	43.0
131.03464	12.5
139.03946	11.7
149.04538	15.8
155.89482	2.5
191.05566	9.7
217.52744	2.9
222.76291	3.1
230.59904	2.6
233.06610	27.1
239.47804	2.7
293.08752	100.0
294.09183	3.8
408.15195	3.8
433.13449	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45951	1.1
55.11007	1.5
57.03463	1.9
57.89545	1.1
59.01373	100.0
60.01696	1.4
61.98822	2.2
62.39161	1.4
67.01878	1.5
71.01372	15.6
73.02947	5.9
82.95423	3.8
83.01364	2.2
83.05038	1.7
85.02955	5.0
89.02454	2.8
93.03454	8.5
96.96014	7.2
97.02925	1.7
98.95594	1.6
101.02431	9.6
109.02941	1.3
111.04527	2.2
111.08134	11.7
113.02430	5.1
116.92895	2.1
117.03479	1.6
119.03524	1.7
119.05022	1.5
130.08685	1.2
135.04526	2.1
137.02405	4.5
142.88925	1.3
143.03503	1.3
145.02925	4.3
155.03540	1.9
161.02438	5.4
161.04550	5.8
163.04080	1.8
173.04527	44.9
173.08157	14.2
175.40323	1.3
179.03474	1.7
179.05362	1.2
203.05580	6.9
236.05775	1.5
273.43735	1.3
347.13403	31.1
352.17780	1.4
413.21707	3.4
493.20975	4.3
493.29819	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	493.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03432	2.1
57.42090	0.6
59.01375	32.1
65.84577	0.5
67.23036	0.6
71.01375	12.9
71.61671	1.2
72.06618	0.6
72.48790	0.6
72.99313	3.3
73.02943	2.9
74.42256	0.6
75.00857	5.9
83.01364	1.2
85.02934	11.9
87.00867	4.7
89.02441	5.9
95.01366	2.4
99.00866	6.7
101.02447	5.0
103.00356	1.0
103.76937	0.7
111.00871	0.6
113.02441	13.4
115.00353	1.6
117.01905	1.3
119.03471	1.6
131.03506	0.9
139.11278	12.7
143.03514	0.9
161.04509	1.9
175.02440	1.4
179.05527	2.3
181.12328	6.2
183.10252	9.8
196.30870	0.6
199.13344	1.0
221.06610	1.0
225.11337	3.6
231.05156	0.7
243.12242	2.8
249.06183	2.9
267.07101	0.6
296.62021	0.6
317.15918	3.5
331.17456	1.5
421.53546	0.6
431.19196	1.1
433.17068	2.9
433.24182	1.5
475.17996	3.1
493.19095	100.0
494.19470	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	493.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.6
61.10735	0.8
61.98834	1.9
64.83231	1.1
66.10648	0.7
67.57929	0.9
71.01381	1.1
71.61190	1.2
73.29835	0.8
78.95886	1.7
83.01359	1.3
85.02934	1.3
90.71471	0.8
101.02422	1.1
106.50771	0.8
112.98785	3.5
113.99588	1.2
121.02962	1.1
134.19438	0.9
137.09723	2.0
145.16785	0.9
156.00665	4.6
159.29559	0.8
163.11179	1.1
174.01665	100.0
175.02124	1.5
179.03409	0.9
191.00899	0.8
275.20273	1.2
293.21210	4.5
296.23053	1.4
397.20062	2.9
411.21881	1.1
457.22314	1.7
457.28128	1.2
493.19815	1.6
493.26611	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	493.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17970	2.8
59.01368	8.2
60.46743	2.6
61.98843	3.1
73.02940	9.6
84.69953	2.8
97.06557	5.8
117.03484	7.0
161.02417	3.3
169.34370	2.9
206.99055	3.7
223.13483	4.5
293.21198	100.0
294.21588	5.2
359.29559	3.9
393.62244	3.0
493.25690	22.7
493.32813	3.7
493.39160	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.7
59.01373	19.8
61.98819	11.4
63.70710	2.9
69.71855	15.1
71.01351	3.8
77.95731	2.4
78.95889	17.2
89.02458	3.3
100.58830	2.7
152.99565	3.4
174.01694	30.6
181.07210	3.4
224.14023	3.2
275.20044	5.5
293.21152	100.0
294.21503	7.9
398.84915	2.9
453.84570	2.8
453.92078	2.8
455.25925	3.5
493.18808	3.4
493.26187	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	493.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22367	0.9
55.01880	1.8
57.03434	2.1
58.00603	4.5
58.00845	0.9
58.56460	1.1
59.01372	100.0
61.98824	9.3
69.03448	1.6
69.33636	8.2
71.01374	53.8
72.99293	5.9
73.02946	6.6
75.00858	2.9
83.01397	3.6
83.11651	0.9
85.02930	12.8
87.00867	13.1
89.02431	64.0
93.03452	3.2
95.01379	4.0
95.04993	1.1
96.95986	5.4
98.95590	4.5
99.00883	2.9
99.04523	1.6
101.02435	33.4
109.02940	1.4
111.00862	1.5
113.02435	25.4
115.08708	1.0
119.03489	29.2
119.04301	2.2
119.04980	1.8
119.65887	0.9
121.03015	1.4
121.10242	2.3
123.00894	1.9
123.04512	14.2
124.01672	2.4
124.03821	1.1
125.02408	2.8
129.01935	3.7
131.03474	3.7
131.05005	1.0
133.02931	4.1
133.05051	1.4
133.06604	1.1
134.03687	2.7
135.04510	24.1
135.08145	1.4
137.02412	3.6
139.04037	1.4
143.03516	7.3
145.02936	1.5
147.02979	2.2
147.04485	1.2
149.04543	2.7
149.06129	1.0
150.03291	1.4
151.04007	2.0
151.07617	31.3
152.01138	0.9
152.07982	1.6
153.01932	3.1
153.05620	1.2
153.09189	8.0
153.99075	1.7
155.10757	4.1
161.02414	11.0
161.04523	10.8
162.02867	1.8
163.04004	2.9
165.05501	2.0
167.03409	1.2
169.01360	2.4
175.07529	1.1
177.05527	8.6
178.02710	1.3
179.03465	2.8
179.05597	21.2
181.05028	3.7
181.06555	1.2
183.10233	11.1
191.03497	2.1
191.05588	1.9
193.05038	2.5
193.08643	1.9
195.06586	17.2
197.08151	10.3
199.09698	2.1
209.06055	1.3
211.06038	3.5
227.07132	1.4
231.91423	1.0
237.05539	1.8
249.06223	1.3
255.06665	2.9
265.05124	2.1
267.06479	1.4
270.08868	1.3
281.06766	1.1
283.06085	10.4
284.06644	1.7
287.92596	1.0
296.11194	1.0
297.09885	8.1
298.08298	6.2
309.08209	40.1
310.08603	1.2
313.10751	10.1
315.10822	21.7
331.11896	1.7
385.12042	5.4
433.24344	24.4
449.13184	2.7
449.18552	2.8
467.41739	1.1
493.13150	12.9
493.19052	22.3
494.18982	1.8
509.96552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22367	0.9
55.01880	1.8
57.03434	2.1
58.00603	4.5
58.00845	0.9
58.56460	1.1
59.01372	100.0
61.98824	9.3
69.03448	1.6
69.33636	8.2
71.01374	53.8
72.99293	5.9
73.02946	6.6
75.00858	2.9
83.01397	3.6
83.11651	0.9
85.02930	12.8
87.00867	13.1
89.02431	64.0
93.03452	3.2
95.01379	4.0
95.04993	1.1
96.95986	5.4
98.95590	4.5
99.00883	2.9
99.04523	1.6
101.02435	33.4
109.02940	1.4
111.00862	1.5
113.02435	25.4
115.08708	1.0
119.03489	29.2
119.04301	2.2
119.04980	1.8
119.65887	0.9
121.03015	1.4
121.10242	2.3
123.00894	1.9
123.04512	14.2
124.01672	2.4
124.03821	1.1
125.02408	2.8
129.01935	3.7
131.03474	3.7
131.05005	1.0
133.02931	4.1
133.05051	1.4
133.06604	1.1
134.03687	2.7
135.04510	24.1
135.08145	1.4
137.02412	3.6
139.04037	1.4
143.03516	7.3
145.02936	1.5
147.02979	2.2
147.04485	1.2
149.04543	2.7
149.06129	1.0
150.03291	1.4
151.04007	2.0
151.07617	31.3
152.01138	0.9
152.07982	1.6
153.01932	3.1
153.05620	1.2
153.09189	8.0
153.99075	1.7
155.10757	4.1
161.02414	11.0
161.04523	10.8
162.02867	1.8
163.04004	2.9
165.05501	2.0
167.03409	1.2
169.01360	2.4
175.07529	1.1
177.05527	8.6
178.02710	1.3
179.03465	2.8
179.05597	21.2
181.05028	3.7
181.06555	1.2
183.10233	11.1
191.03497	2.1
191.05588	1.9
193.05038	2.5
193.08643	1.9
195.06586	17.2
197.08151	10.3
199.09698	2.1
209.06055	1.3
211.06038	3.5
227.07132	1.4
231.91423	1.0
237.05539	1.8
249.06223	1.3
255.06665	2.9
265.05124	2.1
267.06479	1.4
270.08868	1.3
281.06766	1.1
283.06085	10.4
284.06644	1.7
287.92596	1.0
296.11194	1.0
297.09885	8.1
298.08298	6.2
309.08209	40.1
310.08603	1.2
313.10751	10.1
315.10822	21.7
331.11896	1.7
385.12042	5.4
433.24344	24.4
449.13184	2.7
449.18552	2.8
467.41739	1.1
493.13150	12.9
493.19052	22.3
494.18982	1.8
509.96552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06167	26.5
57.48729	24.2
59.01343	23.8
61.98824	25.0
70.97774	25.7
71.67575	29.0
73.34818	24.2
78.95885	29.3
101.91915	28.4
117.05530	37.9
152.99530	46.0
153.27397	23.7
179.55119	29.4
194.95946	26.0
220.00897	28.4
226.31883	29.8
279.23251	100.0
311.16699	29.9
345.70230	30.9
351.50546	24.6
439.57129	27.4
447.73569	28.1
475.24496	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	493.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51590	46.4
61.98822	52.5
71.53564	71.6
75.25309	47.1
77.71992	49.4
161.18831	44.6
235.96954	52.3
271.97131	41.8
342.80884	43.0
396.48260	53.3
493.34897	100.0
509.57205	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17926	0.2
59.01373	0.8
61.98823	100.0
67.97487	0.2
69.97664	0.4
69.98066	0.6
71.01340	0.2
81.62061	0.2
100.62759	0.2
119.05051	0.2
123.04380	0.2
161.02426	0.2
163.04065	0.2
168.91618	0.2
171.45920	0.2
181.83041	0.2
181.91640	0.2
191.05582	0.2
209.41905	0.2
209.72749	0.2
225.25427	0.2
231.11493	0.2
268.03760	1.0
269.04581	1.2
310.34521	0.2
431.09592	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
61.98823	100.0
63.95418	0.4
70.92439	0.5
70.92775	0.8
71.01415	0.4
80.96508	0.7
85.57354	0.4
95.73215	0.4
96.96009	1.4
110.16002	0.4
111.87096	0.4
135.04477	0.5
135.69490	0.4
141.66133	0.3
147.05333	0.3
494.10916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.2
61.98821	11.7
67.01884	2.0
68.01391	3.3
69.03440	4.9
70.46469	2.5
71.01375	3.9
78.95918	0.9
80.91671	1.1
80.92647	0.9
81.02215	1.2
82.95390	4.9
83.01360	0.9
84.04536	34.7
85.02921	2.0
88.98770	1.0
89.02455	1.8
93.03461	0.9
94.02982	2.1
94.22132	0.8
95.05016	27.2
96.95993	2.4
99.04471	1.5
100.04040	7.9
101.02409	1.8
102.03522	0.9
102.05582	1.1
110.06094	12.2
111.00870	2.2
111.04519	1.3
113.02418	1.6
119.05002	1.5
120.08226	1.2
121.02927	2.5
121.06565	2.9
123.04495	16.3
126.05595	2.6
128.07175	0.8
133.02954	0.9
134.06107	0.9
135.04474	1.8
136.07668	1.6
137.01173	3.4
137.02382	1.7
138.01956	1.7
139.03999	6.7
142.08701	2.1
147.04526	1.1
152.03514	100.0
153.03839	2.4
153.05556	19.1
154.05074	8.3
161.02458	2.6
162.05670	1.5
168.06641	2.8
173.04533	2.5
173.08075	0.9
174.01698	0.7
174.04893	1.4
178.08667	3.5
179.03389	2.5
180.06636	12.1
186.07695	25.8
187.07988	1.0
192.09752	0.7
206.04433	1.3
206.11743	1.5
212.09291	3.6
222.07704	6.2
224.05760	1.1
227.55122	0.7
232.09689	2.2
238.07185	21.1
265.98166	0.7
275.09198	8.8
276.08685	1.9
294.09705	0.9
301.20236	1.6
302.20590	2.2
308.11276	5.7
326.12369	7.1
331.25204	1.2
332.25073	1.0
348.13794	2.1
358.15112	1.0
392.13434	4.6
430.15097	7.2
431.15106	0.8
444.16681	1.0
462.17654	33.2
463.17981	3.7
493.29950	4.3
494.20322	42.6
494.30536	9.7
495.20554	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
70.83167	1.4
76.89219	0.4
88.32762	0.4
126.05541	0.5
144.80661	0.5
152.99548	0.9
160.79517	0.5
164.32980	0.4
180.80922	0.5
188.41017	0.5
220.76508	0.5
292.82877	0.5
321.11435	0.5
325.07550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55190	0.8
59.01366	0.8
61.98825	100.0
69.60794	5.5
75.00871	1.0
129.21883	0.7
177.79961	0.8
200.51068	0.9
214.71989	0.8
240.79443	0.7
254.98993	1.0
269.24677	0.9
310.73343	0.9
439.05237	0.8
449.53000	1.0
472.08359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
59.63920	0.2
61.98825	1.8
63.53411	0.2
65.84849	0.2
71.01388	1.5
71.61905	0.3
72.99299	0.6
73.02943	0.5
75.00871	0.3
75.31437	0.3
79.95737	2.6
82.96086	0.5
87.00886	0.4
87.04518	0.3
89.02435	1.1
91.28609	0.3
93.03419	0.6
96.96002	100.0
101.02432	0.8
108.49724	0.2
113.02463	0.5
119.03531	0.3
122.06007	0.3
123.04567	0.3
133.02963	0.5
135.04527	0.6
137.02441	0.4
148.81378	0.2
149.02435	0.6
150.03178	0.4
161.02437	0.9
161.04442	0.3
165.05594	0.5
173.04529	0.9
177.01903	1.3
191.05591	0.6
205.19066	0.3
214.95781	0.3
223.06052	0.3
245.12859	0.3
281.06836	0.3
315.10599	0.4
319.05249	0.5
321.15408	0.4
437.14230	0.3
495.09415	1.4
495.20935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	55.3
61.98829	2.6
65.03939	2.0
67.01881	48.4
68.99809	38.1
69.03458	1.8
69.32504	17.3
75.00880	5.1
75.75097	1.7
81.03445	4.0
83.05031	12.1
85.02947	13.3
87.33146	1.8
93.03445	50.4
93.03992	3.3
95.01373	19.4
97.02926	1.8
99.04514	6.6
101.02435	47.8
107.05001	10.6
109.02916	5.4
111.00867	78.3
111.04505	56.2
116.92828	2.6
119.05019	6.0
121.02970	6.2
123.04504	2.8
124.01659	5.0
125.02470	3.7
125.06081	5.2
127.03997	100.0
135.04521	19.1
136.01697	2.0
137.02425	49.4
138.03239	17.3
139.00356	61.7
139.04001	6.5
140.00771	1.9
143.03510	3.0
149.02470	4.1
150.03139	1.8
151.04010	6.8
153.05553	46.6
161.02423	7.4
163.03986	8.5
164.04767	2.9
165.01915	37.8
166.02693	42.5
171.02946	5.1
173.02402	4.8
174.03239	5.3
174.54388	1.9
176.01170	6.7
177.05524	4.0
179.03453	23.3
180.03909	2.3
181.05040	96.9
182.05438	3.2
185.02345	2.4
191.03506	4.5
195.06624	11.0
197.04521	10.1
207.02962	5.3
215.03424	3.2
216.04312	3.0
218.02180	5.3
221.04559	2.8
223.06085	3.2
230.02177	9.4
233.04530	7.0
239.05600	4.7
245.04561	6.1
249.04050	2.2
260.03247	4.2
267.05066	2.5
275.05685	10.9
281.06439	4.8
299.07687	7.7
301.07123	6.0
303.05142	21.8
319.08319	4.4
333.09750	34.6
334.10251	2.4
335.07675	53.1
336.07736	2.7
367.10226	28.2
375.10834	9.4
390.10440	2.0
405.65912	2.1
410.63504	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	495.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20706	0.3
51.91000	0.5
56.33537	0.4
59.01373	4.4
59.19476	0.4
61.98821	100.0
62.29294	0.4
67.01862	0.7
68.99818	0.6
69.41367	1.9
69.41796	1.2
71.01383	0.8
85.02968	0.5
93.03434	0.6
95.01387	0.6
95.57034	0.4
101.02447	1.6
111.00876	1.3
111.04505	0.7
127.04001	1.6
128.19856	0.4
135.04494	0.8
137.02437	0.7
139.00377	0.8
153.05585	1.1
157.46272	0.4
165.01909	0.4
181.05119	1.4
190.05164	0.4
239.03455	1.1
240.04266	1.1
255.06770	0.7
268.03738	0.7
283.06229	0.7
306.68991	0.4
327.05093	1.2
335.07687	0.9
367.10748	0.5
443.54480	0.4
463.10327	0.8
473.81128	0.4
485.50531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21903	1.3
55.01864	3.6
57.03442	2.2
58.00597	1.6
59.01370	18.5
62.08758	1.4
62.16457	1.4
63.57321	1.2
71.01372	55.4
71.60120	2.5
73.02946	12.8
78.95868	2.5
83.01382	4.5
85.02934	21.4
87.00900	1.3
89.02433	13.1
95.01411	4.2
99.00872	5.1
101.02423	38.1
106.04215	6.2
107.05017	79.0
108.02157	1.6
108.05403	2.6
113.02435	20.9
119.03490	2.4
123.04496	2.9
131.03461	2.9
143.03493	2.9
151.03981	98.3
152.04318	2.4
153.05544	3.7
159.02971	5.8
161.04536	37.6
163.06110	3.2
179.05609	2.7
181.07156	100.0
188.01483	1.4
313.09225	26.4
314.09903	1.9
350.19629	1.7
393.83682	1.4
400.44876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.00570	1.6
59.01373	36.5
61.98809	3.4
61.99434	0.5
69.27619	2.2
69.28053	3.1
70.28381	0.6
71.01374	22.9
72.01765	0.7
72.99313	1.3
73.02936	5.3
75.00109	0.6
82.12672	0.7
83.01381	3.9
85.02937	5.3
87.00844	1.4
88.41199	0.6
89.02434	19.0
93.03459	0.7
95.01405	2.8
95.04996	0.8
100.37360	0.6
101.02428	17.4
107.05038	1.0
108.47862	0.5
113.02439	11.4
119.03489	8.1
121.02955	0.7
122.03649	0.9
123.04509	45.9
124.04847	1.5
135.04507	53.3
135.08150	2.5
136.04816	1.2
153.05553	66.9
153.09140	6.2
154.05844	2.0
161.02444	1.1
161.04529	1.3
179.03438	0.9
179.05670	0.7
179.07077	1.3
183.10242	1.7
197.08154	28.9
221.08173	1.5
239.09174	0.6
239.79568	0.7
247.64430	0.6
255.71811	0.7
258.11032	0.6
282.91949	0.6
297.09744	22.9
298.10071	1.1
315.10803	100.0
316.11078	4.3
316.60950	0.7
347.91101	0.6
357.11838	11.1
358.11676	0.7
369.33118	0.6
371.13489	0.8
401.74704	0.7
446.53964	0.7
457.26834	0.7
495.18707	8.2
495.30963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
58.00579	1.5
59.01372	36.2
60.76186	0.6
60.99270	0.7
61.98827	2.0
62.19535	0.6
62.34152	0.6
63.94637	0.6
68.22340	0.7
71.01371	24.7
71.62705	1.2
72.99298	1.1
73.02929	2.3
77.73782	0.6
78.90538	0.7
79.05499	0.8
81.03439	0.6
83.01376	1.4
83.04996	0.8
85.02956	6.0
87.00891	1.1
89.02433	24.0
93.03426	0.9
94.54386	0.8
95.01385	2.3
97.02951	1.1
99.00861	1.0
101.02435	17.1
107.05017	0.8
113.02435	10.0
119.03486	10.0
121.02957	1.0
123.04510	22.0
123.08161	1.0
125.02394	0.7
131.03513	0.8
133.10257	1.0
134.03760	0.9
135.04506	57.5
135.08083	3.2
136.04834	1.5
143.03471	0.8
145.05972	0.7
149.04550	0.7
151.04027	2.0
153.05553	21.1
153.09181	5.4
161.02438	1.8
161.04604	1.6
161.05998	1.1
165.05487	0.8
167.03522	1.1
167.10757	2.3
172.19588	0.6
177.09184	2.7
179.03497	1.2
179.05559	0.9
179.07054	1.2
193.04945	0.7
195.10237	1.8
197.08101	2.0
203.07045	0.8
221.08270	1.3
239.09190	1.6
245.68549	0.7
263.09216	1.2
297.09766	9.0
315.10815	100.0
316.11163	6.2
341.12366	1.6
451.19684	9.9
452.20090	1.3
495.18631	35.4
495.31128	1.3
496.18607	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	495.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	26.9
60.00903	0.9
61.98822	5.0
68.67654	0.9
69.03457	1.2
70.89117	2.8
71.01371	17.6
72.99293	2.0
73.02940	3.2
73.37683	0.9
79.05487	1.2
81.03437	1.2
83.01405	1.8
83.05072	1.2
85.02944	6.9
87.00864	1.2
87.04503	2.0
89.02425	15.2
89.02924	1.5
93.03455	2.9
95.01374	1.9
95.05035	1.5
97.02943	7.8
99.04531	1.3
101.02435	13.9
109.02978	1.8
111.04480	2.3
113.02423	10.0
119.03495	7.2
121.02940	2.2
122.03760	1.7
123.04508	91.1
124.04828	1.9
125.02410	2.8
133.02937	1.7
133.06512	1.1
133.10242	1.8
134.03700	2.0
135.04500	38.4
135.08122	6.2
136.04784	1.4
137.02425	2.2
151.03993	2.8
153.05553	100.0
153.09175	13.2
154.05931	2.6
159.08144	1.7
161.02419	3.0
161.06029	6.5
165.05519	1.2
167.10793	3.1
168.00648	1.2
173.04587	1.6
175.04062	1.1
175.11308	1.2
177.09221	2.3
179.03499	1.8
179.07166	3.1
189.09221	1.8
193.08655	2.0
197.08130	9.7
199.65791	1.1
201.09169	2.6
203.07137	3.0
219.10191	2.7
221.08191	4.3
239.09268	5.2
263.09204	10.1
281.10352	2.9
297.09784	6.7
315.10803	73.1
316.11267	4.4
341.12222	7.4
422.21729	1.1
435.12988	1.2
451.19968	7.0
459.13425	1.1
495.18741	58.7
495.30814	2.5
496.19370	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	495.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38800	3.9
51.71241	3.6
59.01375	100.0
59.83128	3.6
61.98824	15.6
69.37460	38.3
71.01369	54.5
71.13322	4.2
72.99290	4.3
73.02937	12.7
74.02406	4.8
78.56661	3.8
78.95889	8.1
81.04422	4.5
85.02944	10.3
87.00874	6.1
89.02435	72.9
92.34190	4.0
96.63263	3.8
96.96021	5.0
101.02418	44.4
113.02451	13.2
117.17519	4.5
117.53144	4.2
119.03488	16.7
123.96003	4.5
131.03502	14.5
135.04497	6.5
137.06039	5.0
149.04565	40.4
152.99562	13.2
161.02449	7.4
161.04488	7.8
164.11652	4.1
179.03468	7.5
179.05568	10.6
191.05576	8.9
201.65849	4.1
247.09848	4.6
251.07668	4.2
289.18094	8.1
290.17914	4.1
297.55737	3.9
303.18463	5.4
319.24338	7.4
333.16943	10.8
363.84113	4.4
381.45361	4.4
387.95691	4.0
435.22318	39.6
459.22256	64.1
495.19662	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50428	5.3
59.01373	100.0
61.98819	16.4
68.99793	4.7
69.03410	4.6
71.01375	56.1
73.02937	8.6
78.95899	12.2
79.05530	5.0
85.02932	16.2
86.01474	5.6
89.02426	75.0
95.13797	4.8
96.95994	11.7
99.00870	10.2
101.02429	45.2
113.02429	27.8
119.03506	16.6
125.02514	5.1
130.98373	5.0
131.03467	15.9
135.04532	9.7
137.05998	6.5
146.66470	5.2
149.04521	35.6
152.99538	12.3
161.02371	10.1
161.04503	7.6
166.70320	5.1
179.03448	9.4
179.05557	11.0
191.05617	6.7
247.09755	10.3
289.18048	6.9
316.69797	5.1
319.24249	6.4
333.17014	14.1
435.22430	33.5
451.21002	6.2
459.22244	58.0
495.19662	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68212	5.5
52.44884	5.5
59.01375	49.5
61.98832	23.9
71.01383	13.8
71.02632	4.6
71.62015	6.4
76.07851	5.3
76.19434	4.9
78.95904	19.3
79.05527	13.7
81.07100	13.4
83.05030	5.2
85.02947	9.4
89.02454	5.3
95.05033	6.4
96.96028	5.9
96.96954	15.2
99.04506	13.8
101.02436	10.4
101.15567	5.7
107.05006	11.0
107.08668	13.5
125.06076	19.5
125.09740	6.7
126.05586	11.2
133.02844	5.8
135.04549	9.4
137.42679	5.5
143.08676	12.9
147.11763	8.4
159.11774	20.6
161.02431	14.3
161.13336	8.4
173.13335	49.1
174.01711	14.2
203.10783	19.5
204.03287	16.8
209.11723	5.5
211.13121	7.3
213.16470	6.1
221.13057	5.6
223.14838	6.4
225.16376	6.6
227.18127	11.2
233.15425	38.5
235.53659	5.9
237.16476	9.6
239.17874	5.5
247.09685	14.8
271.17133	5.9
293.21118	39.5
319.24252	100.0
320.24652	13.4
345.22260	18.8
363.23239	74.7
364.23444	5.7
385.23965	8.7
403.24902	23.8
407.22098	24.7
421.25882	8.1
435.29373	9.4
451.21002	15.9
477.28516	44.5
495.19287	24.5
495.26761	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	495.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
58.00578	1.5
58.67410	0.7
59.01374	27.7
60.18428	0.7
61.98811	3.0
69.03446	2.3
69.30891	6.3
71.01376	33.6
72.99297	3.0
73.02937	13.0
75.00871	1.4
78.01368	0.7
82.28262	0.9
83.01382	10.1
85.02943	17.4
86.00089	2.0
87.00851	4.4
89.02451	7.6
89.18096	0.8
93.03453	3.4
95.01374	3.3
99.00871	7.0
101.02430	33.6
105.01931	3.1
107.05037	1.4
109.02917	0.7
109.06537	0.8
111.00905	1.0
113.02438	12.4
119.03495	3.2
125.02451	0.9
129.01939	1.1
133.02933	6.6
135.04500	5.2
136.04787	0.8
137.02438	3.8
139.79677	0.8
147.02965	2.9
149.06033	1.3
151.07692	0.9
153.05592	1.2
155.10793	1.1
159.02951	1.5
161.02417	25.6
161.04538	2.4
162.02835	0.9
173.04515	1.8
177.05501	1.5
179.03485	6.5
185.11781	2.2
191.05611	3.0
213.07622	1.2
221.04515	1.6
239.05598	0.9
242.05783	2.3
257.08167	2.4
281.06662	2.9
333.11847	9.9
341.08795	1.0
347.17050	100.0
348.17502	5.0
359.17380	0.7
476.27438	0.8
495.14719	19.0
495.20828	74.9
495.65054	1.1
496.15030	2.0
496.21259	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	495.2079
Annotation	Selexipag
Peak:m/z	Relative Intensity
53.68921	0.6
57.03432	2.0
57.11201	0.7
58.00578	1.5
59.01375	20.0
61.98817	1.1
70.03063	2.7
71.00989	1.5
71.01374	26.2
72.99270	0.9
73.02940	13.9
73.09870	0.7
75.00851	0.8
83.01365	7.6
85.02942	14.2
86.00082	1.9
87.00871	5.6
89.02431	3.6
93.03453	1.5
95.01361	2.1
98.20618	0.8
99.00885	4.3
101.02431	26.6
111.00852	1.0
113.02424	9.3
131.24164	0.7
135.04504	1.7
143.03462	0.7
147.02982	1.8
159.02962	1.0
161.02400	2.2
161.04500	2.1
165.01845	0.8
173.04517	1.5
179.85361	0.7
185.11777	3.4
191.05568	2.7
211.13492	0.7
242.05971	1.3
347.17050	100.0
348.17331	6.0
495.20789	70.9
495.28384	1.3
495.65503	0.8
496.21085	4.5
522.12891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	19.8
61.98829	26.7
65.62410	7.1
68.99567	6.6
69.69884	11.4
69.70280	30.0
74.54536	6.1
75.00874	6.0
78.95878	9.7
96.95956	6.9
96.96978	7.7
97.92451	5.4
112.98548	7.3
134.93941	5.7
147.12247	5.8
166.55734	5.7
171.10246	16.4
248.76489	5.9
277.21677	22.1
295.19751	9.4
295.22751	100.0
322.28027	5.6
363.94467	6.6
417.92923	7.3
465.39569	6.5
495.27142	34.7
515.52740	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	495.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	10.0
61.98812	13.1
69.61947	17.3
69.62364	7.7
73.20351	3.8
78.95903	7.6
88.74004	3.5
96.96909	5.0
152.28784	3.7
161.37680	4.3
165.72229	4.1
195.13925	4.7
203.65820	3.7
205.84988	3.6
207.10204	3.8
262.63513	3.8
277.21707	5.4
287.22189	7.8
295.22754	100.0
296.22974	7.5
375.36960	4.0
495.27014	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	495.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12366	0.4
61.98825	0.6
68.92062	0.3
72.99298	1.1
75.00861	100.0
75.94299	0.4
75.95339	0.4
76.01180	0.8
99.14864	0.4
113.68398	0.4
152.99568	0.7
183.37547	0.4
229.34238	0.4
255.23253	3.8
267.23248	2.4
268.23416	0.4
275.43076	0.4
316.09351	0.4
495.27103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	84.6
71.62485	77.6
75.44556	57.2
100.51984	66.5
109.07714	62.5
109.94623	60.1
117.25688	63.1
279.44919	65.3
457.32834	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	495.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90817	7.9
59.01354	10.0
59.41020	8.8
61.98811	14.6
64.27492	7.8
71.19004	16.0
93.04801	9.6
386.08035	9.0
495.32690	100.0
496.32553	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	495.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92522	60.7
56.10152	66.1
57.14046	58.3
59.72027	65.0
61.98821	100.0
66.07281	62.1
95.21551	66.5
119.13664	71.7
142.06644	58.4
229.53972	67.9
281.51996	72.2
376.45944	64.4
515.14899	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22294	18.9
61.58626	20.0
61.73663	19.4
61.98820	20.4
69.28925	100.0
69.29354	77.8
75.38155	15.8
78.95883	22.3
152.99503	24.4
197.29373	21.8
288.65222	18.7
304.05713	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80838	68.7
61.98808	78.4
120.39826	69.8
137.06110	98.4
137.12828	59.8
162.73907	65.5
165.12714	68.8
189.91251	66.2
233.34680	70.7
435.34717	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	496.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
65.01282	0.2
69.83980	0.6
69.84395	0.5
89.02486	0.2
96.96025	0.6
113.02428	0.4
116.35898	0.2
198.36082	0.2
230.31311	0.2
232.56020	0.2
239.66850	0.2
331.88766	0.2
347.42441	0.2
461.17102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01373	8.8
61.18443	0.3
61.98826	6.3
67.01890	0.4
68.96738	0.3
69.03450	7.8
71.01378	0.7
74.81490	0.3
81.03440	0.6
82.02983	1.0
82.20996	0.3
83.01385	0.5
83.05006	0.9
85.02941	6.1
85.03444	0.5
87.18697	0.3
88.98808	0.3
89.02391	0.4
93.03437	3.6
94.02982	0.3
94.06602	0.4
95.05040	0.7
98.19866	0.5
99.04401	0.3
101.02434	1.6
106.06599	0.4
108.04539	1.4
109.02933	0.6
110.46617	0.4
111.04501	5.1
112.04041	1.3
113.02460	1.0
113.91415	0.3
119.05006	0.8
120.99586	0.4
121.03006	0.7
122.03728	0.8
122.34779	0.4
123.04510	66.3
124.01756	0.3
124.04039	0.4
124.04857	1.8
127.04000	0.5
134.02522	0.4
134.06079	0.4
135.04480	2.1
136.04034	0.4
137.02429	4.5
138.05579	1.1
139.03960	0.4
140.07144	0.7
144.06635	1.8
145.02936	1.1
148.07666	0.4
149.02455	0.6
150.05649	0.3
151.02754	0.6
152.03499	1.4
153.05557	100.0
154.05884	3.3
161.02420	0.9
161.04655	0.4
163.03922	0.4
164.07158	1.1
165.05482	1.6
166.05006	3.4
167.07079	0.4
168.06703	0.7
169.05110	0.5
170.08163	1.2
176.07169	0.8
178.05013	0.4
179.03474	1.2
179.07112	0.6
180.06589	0.4
182.04582	1.5
192.06697	0.6
193.19069	0.3
195.06679	1.0
196.06134	1.9
198.07690	2.0
208.06007	1.7
222.07664	0.7
238.10876	1.2
240.08755	3.8
249.07634	1.0
250.07317	0.8
255.03020	1.9
258.09708	1.0
268.08215	0.4
273.07654	3.2
282.09790	3.7
283.02527	1.6
284.03268	1.8
292.39496	0.4
297.04059	1.1
298.04697	2.4
299.05624	3.4
300.10834	6.8
301.11075	0.4
315.08597	0.6
350.12366	1.3
376.13947	0.9
394.15067	2.3
418.14966	1.4
436.16049	4.9
461.10739	5.2
461.16516	0.4
496.18402	1.8
497.16418	0.6
497.20053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.8
61.98822	100.0
68.15235	0.5
78.95910	1.4
84.76070	0.6
99.45636	0.6
338.31061	0.7
432.80560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07713	0.2
61.98823	100.0
71.61790	0.2
78.26206	0.2
109.06082	0.2
112.73141	0.2
150.96437	0.2
168.36456	0.2
256.62073	0.2
269.24811	0.4
294.26578	0.2
340.35788	0.2
344.44196	0.2
425.85797	0.2
434.79868	0.2
497.32654	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	497.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07885	0.7
59.01385	4.8
61.98825	5.4
68.92696	0.7
69.31075	3.2
69.31501	4.0
71.01373	2.2
78.95905	0.9
85.02950	0.8
89.02435	2.1
96.95969	1.9
98.20653	1.6
99.92350	0.9
101.02467	1.4
113.02448	1.3
117.03455	1.1
119.04997	1.8
132.02164	1.7
133.02942	25.9
134.03604	0.8
135.04507	7.6
137.02438	1.0
161.02426	100.0
162.02730	2.9
165.05536	1.6
169.01404	1.2
179.03508	5.4
256.12436	0.8
276.93787	0.8
398.78940	0.8
439.50961	1.0
461.14481	84.9
462.14859	6.6
497.16064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07885	0.7
59.01385	4.8
61.98825	5.4
68.92696	0.7
69.31075	3.2
69.31501	4.0
71.01373	2.2
78.95905	0.9
85.02950	0.8
89.02435	2.1
96.95969	1.9
98.20653	1.6
99.92350	0.9
101.02467	1.4
113.02448	1.3
117.03455	1.1
119.04997	1.8
132.02164	1.7
133.02942	25.9
134.03604	0.8
135.04507	7.6
137.02438	1.0
161.02426	100.0
162.02730	2.9
165.05536	1.6
169.01404	1.2
179.03508	5.4
256.12436	0.8
276.93787	0.8
398.78940	0.8
439.50961	1.0
461.14481	84.9
462.14859	6.6
497.16064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96165	0.3
53.96963	0.4
54.83221	0.5
57.29390	0.4
59.01368	8.2
61.98822	100.0
71.01392	2.1
71.61932	0.4
73.02919	0.4
83.01389	0.4
85.02955	0.5
89.02428	2.0
93.03439	0.6
95.60956	0.4
101.02431	1.8
113.02452	0.8
117.03463	0.5
119.03494	1.1
119.05088	0.5
121.06578	2.6
123.04549	0.5
124.98555	0.3
133.03065	0.4
135.04521	1.2
136.01553	0.4
137.02403	1.9
137.06099	1.0
145.02904	2.9
151.03972	0.4
153.05641	0.9
153.09187	11.2
154.05946	0.5
161.02370	0.8
161.06075	0.3
165.05553	0.7
173.04572	0.5
179.03485	1.4
183.06631	0.6
195.06596	2.4
197.08154	15.9
198.08600	0.8
239.05592	0.8
282.09573	0.4
284.03461	0.8
289.60086	0.5
307.08170	0.4
315.10989	0.7
377.14465	6.0
431.81631	0.4
461.14822	1.3
461.27005	0.4
497.16324	0.9
497.20584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27375	0.5
57.03435	1.7
58.00593	0.6
59.01372	9.7
71.01374	17.0
71.59803	0.6
71.60258	0.8
73.02926	0.8
78.23955	0.5
78.95872	0.8
83.01396	0.8
85.02944	16.0
86.32877	0.7
89.02433	5.8
95.01383	6.7
101.02440	2.7
103.03999	0.7
113.02440	40.3
114.74153	0.6
119.03483	1.1
123.04517	1.3
135.04512	23.5
136.04820	0.7
143.03378	0.9
151.03908	0.7
153.05530	1.8
161.04495	2.5
228.28564	0.6
297.09802	1.4
315.10693	5.4
461.16583	100.0
462.16904	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48775	2.8
59.01362	10.7
70.35767	12.8
71.01373	9.1
89.02444	11.4
90.04002	3.0
96.95990	4.7
101.02400	8.3
106.99305	3.2
107.67297	3.2
113.02415	4.3
114.40537	3.0
119.05014	7.4
119.96378	3.1
175.65208	3.1
208.12912	3.4
239.08096	3.6
299.11331	52.2
300.11691	4.9
315.10849	4.6
461.16791	17.5
497.14285	100.0
498.14624	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	497.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65247	1.3
52.85443	1.2
59.01379	13.1
70.93024	2.8
71.01375	13.6
73.02917	3.4
85.02930	5.7
89.00057	1.4
89.02419	12.6
95.01373	3.3
96.96003	28.7
101.02454	8.6
113.02431	18.3
116.77810	1.4
119.03476	4.7
119.04999	4.3
134.92737	1.3
146.74454	1.3
160.30110	1.3
161.04538	5.7
179.05536	2.4
299.11469	6.8
461.16565	100.0
462.16855	6.6
478.90677	1.3
497.14038	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	497.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63553	1.7
54.53275	1.7
59.01379	19.2
61.98825	6.9
71.01376	20.2
71.61347	2.7
72.99301	2.3
73.02932	2.9
78.95888	3.6
85.02943	16.8
87.71854	1.8
88.98766	2.7
89.02433	11.7
95.01361	5.7
96.96000	35.8
101.02444	7.8
103.52238	1.8
105.00944	1.7
113.02441	44.2
114.02773	2.4
119.03500	3.2
119.04987	5.8
119.05804	1.6
135.04514	30.2
136.69353	1.6
137.99118	1.7
142.68338	1.6
143.03453	2.1
144.01378	1.7
153.95331	1.6
161.04564	5.4
179.03445	5.9
191.05585	6.1
231.50423	1.7
264.18442	1.6
281.10333	2.0
299.11273	13.8
315.10886	3.4
335.07614	3.7
461.16550	100.0
462.16968	9.3
497.14081	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.9
61.98820	13.2
66.40088	0.6
71.01390	2.3
71.08802	0.5
73.02900	0.6
73.67693	0.4
85.02943	0.8
85.84034	0.5
89.02467	1.5
93.03453	4.9
100.34285	0.7
101.02431	1.8
113.02449	1.2
117.03442	3.7
119.03481	0.9
119.05030	1.5
121.02863	0.7
123.04508	1.5
131.86394	0.5
133.02931	0.7
135.04506	4.8
136.01668	1.8
137.02423	9.0
145.02939	21.7
145.04092	1.1
146.03329	0.7
149.02434	0.9
151.04018	0.9
153.05588	1.5
153.09192	75.3
154.09517	2.0
161.02432	1.8
163.03903	2.5
169.08734	0.5
173.04507	3.2
176.90794	0.5
179.03488	6.6
195.06589	1.0
197.08159	100.0
198.08459	3.5
199.09599	0.7
205.05048	0.6
209.04437	0.7
229.57591	0.5
239.05635	3.6
265.07135	0.9
299.07706	1.6
315.10983	2.4
461.14587	15.1
462.14801	1.6
497.16299	8.8
498.17035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70127	0.4
59.01369	1.1
61.98813	0.6
69.03449	2.7
71.01369	0.5
71.62115	0.8
79.01880	0.6
79.95735	0.9
83.01390	1.0
83.95288	0.5
93.03476	0.8
95.01366	1.4
96.95999	34.3
97.02934	1.9
107.01378	1.5
108.02184	0.6
109.02952	0.6
115.00351	0.8
121.02979	0.9
123.00881	6.3
124.01650	20.9
125.02435	48.7
126.02721	0.6
128.11418	0.5
135.04489	0.8
137.02399	2.1
144.62953	0.6
145.00441	0.5
147.04526	0.7
149.99567	28.3
151.00340	2.4
161.02435	1.0
167.03455	1.7
168.00618	55.9
169.01399	4.7
172.76222	0.5
173.04483	2.8
175.02448	1.5
179.03435	0.7
261.07620	2.0
266.05035	0.5
313.05496	1.1
399.16510	0.9
497.16565	100.0
498.16956	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	497.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
59.01372	5.2
61.98817	3.1
67.01904	0.3
69.03448	0.3
71.01377	3.1
71.62680	0.4
72.99281	0.4
73.02936	0.4
81.74348	0.3
84.32430	0.3
85.02940	0.9
89.02440	2.2
93.03448	5.2
95.01360	0.6
101.02444	1.7
107.05053	0.5
113.02441	1.2
117.03465	4.5
119.03465	0.9
119.05020	1.9
121.02908	0.4
123.04507	2.2
125.09710	0.4
133.02919	0.6
134.03717	0.6
135.04520	4.4
135.08119	0.6
136.01654	1.8
137.01419	0.6
137.02438	9.5
139.00276	0.6
145.02937	25.9
146.03252	0.7
149.02394	0.7
149.79530	0.4
150.02731	0.4
151.03984	0.9
153.05701	2.5
153.09195	75.4
154.05888	0.9
154.09502	2.5
155.03493	0.7
155.06044	0.4
161.02457	2.3
161.06000	0.9
162.02791	0.3
163.03957	1.8
164.04758	0.4
169.05038	0.5
169.08591	0.4
173.04517	3.3
174.04784	0.4
176.10539	0.3
177.05472	0.4
179.03488	7.5
179.06955	0.3
180.03818	0.6
191.07158	0.3
192.58800	0.3
193.04974	0.5
197.08160	100.0
198.08548	3.7
199.09688	0.6
199.19601	0.3
205.05026	0.7
209.04518	1.6
223.06181	0.3
235.06004	0.5
235.45631	0.3
239.05568	4.4
255.02774	0.3
265.07156	0.5
272.12787	0.4
299.07724	1.4
307.08197	0.6
315.10779	1.4
461.14566	16.1
462.14890	1.7
497.16321	8.9
498.16568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93478	1.4
54.48439	1.4
55.14903	1.4
56.35968	1.5
58.00917	1.5
59.01374	17.7
61.98824	100.0
64.85400	1.6
69.38510	12.5
71.01366	15.4
73.02920	2.4
81.83656	1.4
85.02953	2.0
89.02431	29.6
97.02953	1.8
99.00831	3.9
101.02419	9.0
101.03844	1.6
112.28226	1.6
113.02426	1.8
114.60742	1.6
115.03951	1.8
125.02436	9.7
131.03456	3.8
149.04536	23.1
167.10686	6.5
182.00534	1.6
191.05499	4.5
197.08049	2.3
221.06529	2.2
233.06622	5.2
293.08734	51.2
294.09106	2.4
311.09769	3.9
329.06390	42.9
497.17810	23.6
514.17480	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	497.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	12.0
61.98823	36.7
71.01375	7.0
71.62782	1.2
73.02950	2.1
76.60942	1.0
85.02955	5.2
87.00850	1.5
87.04477	1.4
89.02432	4.3
95.01383	1.0
97.02928	1.8
101.02412	5.1
111.04443	0.9
113.02440	4.4
119.03493	1.8
122.03713	2.0
123.04510	87.5
124.04817	2.3
125.02419	5.6
125.06068	2.7
133.02878	1.1
135.04500	12.9
135.08145	1.8
137.06064	1.6
137.09708	16.9
139.07678	1.4
142.32521	0.9
147.04489	1.1
151.11298	2.3
153.05556	100.0
154.05887	2.4
155.10770	35.9
161.02477	1.6
161.09677	1.3
163.07626	7.0
166.79773	1.0
167.10770	1.4
169.12312	2.7
177.09064	1.3
177.51263	0.9
179.10756	6.6
181.08733	4.6
191.41306	1.0
195.10229	12.1
199.09740	19.7
205.08640	2.6
209.70714	0.9
223.09691	11.8
237.11220	1.2
241.10701	6.2
246.71111	1.0
265.10724	9.9
283.11826	8.1
297.09781	1.4
315.10709	10.4
343.13950	11.1
359.10977	0.9
497.20236	97.0
498.20621	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	497.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
55.65466	0.9
57.03436	3.3
59.01371	34.0
61.98803	1.2
62.88421	0.8
63.56123	0.9
65.12666	0.9
69.03436	1.4
69.49558	7.1
71.01373	32.5
72.99316	2.1
73.02937	14.9
78.95863	0.9
82.90788	0.9
83.01380	6.7
85.02937	19.9
86.00102	1.3
87.00854	2.3
89.02425	6.2
95.01353	2.9
97.02913	1.2
98.19868	1.2
99.00867	6.7
99.04504	3.5
101.02431	39.0
102.84820	0.9
111.00860	1.2
113.02434	16.7
125.02409	1.2
129.01859	1.2
131.03522	1.1
135.04529	2.1
137.06027	1.1
141.12843	0.9
143.03531	1.0
159.02965	2.4
161.02344	2.5
161.04518	9.6
179.03452	1.3
189.01044	1.2
273.18585	1.7
305.19638	100.0
306.19965	5.6
317.17477	5.3
344.59232	1.0
437.23846	60.1
438.24146	4.7
461.20456	1.3
497.23996	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	497.2748
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01859	1.4
57.03446	0.8
58.00592	1.2
59.01372	46.4
60.01715	0.4
61.98829	1.0
69.03445	1.0
70.98208	0.2
70.98543	0.2
71.01373	24.7
72.99297	1.2
73.02937	19.4
74.03285	0.2
75.00870	0.6
78.95889	0.2
81.03439	0.4
83.01369	5.9
85.02940	6.8
87.00867	2.7
89.02431	7.0
94.90219	0.2
95.01371	1.6
97.02942	0.7
99.00879	1.2
101.02431	16.7
102.02802	0.3
106.60174	0.2
111.00892	0.5
113.02435	7.1
113.03241	0.4
114.02742	0.2
119.03491	1.8
124.01637	0.4
125.02452	1.0
129.65587	0.2
131.03494	0.8
143.03488	0.5
149.04572	0.3
152.96094	0.2
161.04529	1.0
211.13307	0.2
231.21223	0.5
263.20090	0.9
269.21304	0.3
275.20108	8.7
276.20517	0.4
289.21832	0.2
293.21188	6.7
294.21466	0.3
335.22165	0.2
420.21838	0.2
435.77435	0.2
437.25381	10.3
438.25858	0.7
455.26431	21.6
456.26721	1.6
479.26608	0.8
497.27481	100.0
498.27817	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	497.2754
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01874	2.1
55.75951	1.2
57.03423	3.0
57.58353	1.3
59.01373	67.0
61.98816	5.0
69.03439	3.7
71.01374	52.2
71.61521	2.0
72.90113	1.1
72.99292	3.5
73.02939	14.9
75.81142	1.2
78.95900	3.8
79.84961	1.3
83.01376	8.6
85.02946	25.5
87.00880	3.6
89.02425	11.2
89.70463	1.2
90.40878	1.3
95.01367	7.3
96.96975	1.4
97.02966	3.4
99.00854	2.3
101.02433	25.9
113.02435	28.6
119.03497	4.4
125.02428	3.3
131.03464	1.4
134.23593	1.2
143.03448	2.5
161.02374	1.3
161.04533	2.5
211.13348	5.8
219.18828	1.3
225.16408	1.3
228.11473	1.7
263.20230	2.4
275.20123	22.7
276.20465	1.6
289.21466	2.0
293.21146	14.6
295.22794	3.2
437.25360	81.2
438.25748	7.5
455.26431	86.1
456.26889	8.4
456.32755	1.7
497.27542	100.0
498.27774	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	497.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01688	1.0
61.98829	0.6
66.98000	0.6
71.01370	10.9
71.60906	1.1
71.61277	0.6
72.99310	1.3
73.02948	2.9
83.01385	1.1
85.02935	4.3
87.00900	1.2
89.02429	10.8
99.00863	2.0
101.02425	9.8
113.02440	5.7
119.03483	6.1
125.02448	0.7
131.03542	0.8
138.32651	0.6
143.03534	1.7
149.04478	0.7
161.02460	1.0
161.04590	3.1
179.03665	1.1
179.05608	3.6
261.16107	0.7
305.19540	3.7
437.23950	16.3
438.24942	1.1
497.27383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.0
58.41156	0.8
61.98805	1.2
71.18556	1.8
78.95887	10.0
85.01438	0.6
91.84492	0.8
128.01013	0.7
152.99573	16.1
171.00475	0.8
171.92662	0.7
191.37866	0.8
195.32491	0.9
227.03177	3.2
245.04282	1.8
255.23341	1.7
269.24811	100.0
270.25177	6.6
332.65616	1.1
423.25134	1.4
428.38031	0.9
497.28763	35.3
498.29086	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23373	7.1
61.98821	13.9
69.51645	15.3
69.52052	42.9
71.30350	7.0
74.30657	8.3
84.55944	8.7
87.00881	8.8
98.19827	9.9
137.05992	9.0
175.07637	59.9
177.09143	7.8
193.08734	14.1
195.14970	8.5
258.46899	8.8
399.36047	20.3
404.83755	9.0
443.35251	57.5
444.35101	8.4
461.36292	100.0
462.37027	13.0
497.34521	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	497.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64723	14.5
61.98822	47.6
69.09135	12.5
70.36380	12.6
71.24809	25.5
74.30316	13.9
83.01363	15.2
100.29430	13.1
103.29800	12.6
131.38130	13.0
175.07661	30.6
200.81613	12.0
435.71417	13.9
443.35202	24.8
461.36383	100.0
497.33792	23.5
503.23892	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	497.363
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
59.01376	3.6
61.22343	0.4
61.98784	0.5
68.75126	0.5
71.17506	1.1
121.20303	0.4
137.37990	0.4
191.31223	0.5
266.05966	0.6
283.26526	0.6
316.11639	0.5
338.97287	0.6
383.75159	0.4
437.34241	1.7
497.36304	100.0
498.36642	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	499.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52291	0.2
59.01380	1.3
64.08478	0.2
71.01356	1.0
71.34248	0.5
73.02927	0.7
79.95728	2.7
85.02939	0.3
87.00871	0.3
89.02439	0.5
93.03442	1.0
96.95997	100.0
98.95553	0.4
101.02429	0.8
113.02426	0.8
119.03484	0.4
119.05050	0.4
135.04503	1.3
173.04555	0.4
191.05571	0.9
297.09717	0.3
315.10773	0.6
357.11908	2.6
405.56348	0.2
461.16541	2.1
499.15027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1448
Annotation	kn-93
Peak:m/z	Relative Intensity
53.13216	0.5
57.03432	1.1
58.62749	0.6
59.01358	1.6
59.13564	0.5
60.99286	2.3
61.98778	0.6
65.03940	0.6
67.01888	8.9
69.03446	2.8
69.82209	3.1
71.01360	3.0
72.99296	0.7
73.02923	0.8
76.45403	0.5
81.03438	1.9
83.04996	1.4
85.02937	3.5
87.00871	10.4
93.03447	59.6
94.03790	1.0
96.95987	1.9
98.19939	0.9
99.00857	1.5
99.04485	1.1
101.02438	0.6
109.02945	1.1
111.04508	8.3
113.02464	0.7
115.03989	0.7
119.05017	27.1
127.03941	1.0
129.01930	1.7
129.53975	0.6
131.23996	0.5
137.02451	0.7
145.02937	1.6
149.06027	0.7
155.03481	1.9
163.03998	19.0
164.04332	0.8
173.04515	18.0
191.05588	69.4
192.05882	1.6
233.81665	0.5
337.09189	9.8
338.09399	0.7
379.10281	1.9
499.14496	100.0
500.14828	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	499.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61351	0.6
59.01368	4.0
60.99300	15.7
61.98825	9.0
69.52608	3.7
69.82560	0.6
71.01364	0.5
88.98798	100.0
101.02464	0.6
195.29343	0.5
255.19746	0.5
260.04004	0.5
389.59415	0.6
510.85349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61351	0.6
59.01368	4.0
60.99300	15.7
61.98825	9.0
69.52608	3.7
69.82560	0.6
71.01364	0.5
88.98798	100.0
101.02464	0.6
195.29343	0.5
255.19746	0.5
260.04004	0.5
389.59415	0.6
510.85349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98864	0.4
56.64932	0.3
59.01373	7.1
61.98820	5.4
70.98805	0.8
71.01355	1.0
78.95892	1.9
79.95739	2.7
89.02396	0.4
96.95999	100.0
96.96881	3.5
97.95944	0.4
98.90675	0.4
101.02415	0.4
114.93407	1.3
116.92846	0.8
117.81623	0.4
135.04443	0.4
139.66371	0.4
175.02490	0.5
222.46834	0.4
315.17935	0.5
350.58224	0.4
499.29514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01371	5.4
60.99294	2.1
61.46730	0.4
63.02972	0.4
63.71762	0.4
67.01884	4.0
69.03449	0.9
70.44460	0.4
70.87717	0.4
71.01382	4.5
71.60280	0.5
71.60651	0.6
72.99273	0.4
73.02941	3.6
81.03445	0.8
83.05029	0.9
85.02946	3.1
87.00866	8.3
87.04465	0.7
89.02420	1.2
93.03447	41.3
94.03809	0.7
97.02915	0.5
97.68008	0.4
99.04494	0.6
101.02417	1.3
103.03946	0.6
109.02886	0.8
111.04510	5.6
112.49648	0.4
113.02428	0.6
115.03980	1.8
131.03485	1.9
137.02406	0.8
143.03459	1.9
155.03438	1.2
173.03065	0.8
173.04510	11.7
191.03914	0.9
191.05585	11.7
205.07092	2.2
207.49773	0.5
313.50424	0.4
318.11349	0.4
353.10526	0.5
431.02219	0.5
499.16608	100.0
500.16977	7.6
523.22711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95169	0.5
59.01373	7.2
60.99283	1.9
67.01883	4.3
69.03439	1.1
71.01381	4.7
71.30373	0.5
73.02934	3.1
81.03439	0.9
85.02934	2.7
87.00872	8.0
87.04492	1.3
89.02431	2.0
93.03446	41.8
94.03803	0.8
94.62141	0.6
99.00890	0.6
100.58112	0.5
101.02424	2.2
103.03990	1.0
109.02944	0.6
111.04511	5.1
113.02419	0.5
115.04005	2.5
127.03989	0.8
131.03499	2.6
137.02411	1.0
143.03464	2.6
149.08585	0.6
155.03448	0.7
173.04526	12.2
191.05588	11.8
205.07123	1.5
275.05933	0.5
341.10709	3.4
499.16602	100.0
500.16977	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	499.1815
Annotation	Rolapitant
Peak:m/z	Relative Intensity
59.01369	7.5
61.98825	7.7
63.30396	0.5
63.56053	0.6
67.01880	0.9
69.03437	2.5
69.26441	2.5
69.26872	3.2
70.04753	0.5
71.01348	0.9
79.01874	1.1
81.03441	1.4
83.01382	1.1
85.02951	0.7
88.98801	5.6
93.03420	1.2
95.01369	2.9
95.87253	0.5
97.02933	2.2
99.76441	0.5
101.02420	1.3
107.01370	2.3
109.02962	1.2
111.00841	0.7
111.04502	1.1
119.05000	0.7
123.00871	5.8
123.04509	1.8
124.01648	21.4
125.02431	44.9
126.02769	1.0
127.03980	2.9
135.04517	1.1
137.02409	2.3
149.02374	0.5
149.99565	24.7
151.00357	9.9
151.03926	0.6
153.05565	1.7
163.03972	1.9
167.03465	1.5
168.00612	55.9
169.01357	5.0
173.04523	5.7
179.03494	1.0
185.11810	0.7
193.01314	0.7
215.74263	0.5
313.05542	1.4
337.09125	2.0
353.08780	1.1
499.18115	100.0
500.18567	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	499.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43654	0.3
59.01380	2.7
59.71055	0.3
61.98823	100.0
71.01392	0.5
71.62128	0.3
74.56194	0.3
85.02969	0.4
89.02441	0.4
93.03452	0.4
96.96032	0.8
101.02431	0.4
113.02475	0.4
119.49174	0.2
133.02998	0.3
135.04483	0.5
147.62657	0.3
161.02426	0.5
173.04521	0.6
179.03516	0.3
206.50764	0.3
257.07651	0.4
276.41919	0.3
291.06738	0.5
499.16959	0.7
499.23669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39451	0.3
59.01368	3.2
60.99302	0.7
61.98823	100.0
63.14267	0.3
71.01379	1.0
71.61039	0.3
73.02947	0.5
74.25941	0.4
80.51818	0.3
80.67246	0.3
88.98794	8.4
89.02434	1.0
96.96008	1.1
101.02450	0.4
113.02438	0.4
128.29741	0.3
143.03477	0.3
143.04607	0.6
173.04543	0.4
191.91653	0.4
266.44394	0.3
322.86432	0.3
331.05939	0.4
469.20340	0.4
499.21606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.3
71.01343	11.1
85.02934	11.0
89.02459	6.8
96.95985	21.1
100.07948	7.2
101.02405	7.5
126.25706	8.0
130.08719	21.2
140.93082	8.1
156.31490	7.3
164.13356	7.0
166.69836	8.3
193.10846	7.3
463.21732	56.2
464.22797	8.8
499.19287	100.0
512.60986	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	499.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	15.5
61.85809	5.3
61.98822	9.5
69.85686	21.1
71.01376	9.1
85.02973	6.9
85.92628	6.0
89.02415	8.3
93.03452	15.6
93.47230	6.0
95.05051	6.9
96.96020	13.5
98.20455	8.7
101.02473	8.3
113.85882	5.3
116.07167	100.0
135.04440	10.6
140.07173	12.1
151.04031	7.4
158.08128	8.5
161.02385	8.6
173.04530	6.0
181.08662	9.9
191.05556	6.7
232.17139	10.3
251.48117	6.6
266.84726	5.4
276.16016	15.2
282.56329	5.9
320.15100	32.3
338.16006	65.4
453.09430	6.2
460.53870	5.7
463.21695	12.9
499.19528	94.1
500.20636	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	499.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47623	1.4
59.01383	9.4
71.01375	12.8
73.02946	5.5
78.95892	34.8
85.02930	5.3
85.79139	1.4
88.04017	3.4
89.02441	3.2
93.03461	2.5
96.96951	17.4
99.00843	1.7
101.02427	8.9
104.67622	1.3
113.02449	5.6
140.01216	2.5
150.46762	1.6
159.02956	1.6
161.02425	1.8
161.04550	7.4
260.03143	2.6
270.39398	1.9
304.06100	2.8
331.17581	4.0
463.21796	63.4
464.22281	4.8
499.19470	100.0
500.13214	11.5
500.20038	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	499.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	10.3
70.84453	9.2
71.01384	13.9
79.50645	3.5
85.02961	4.8
89.02431	6.0
96.95995	32.4
101.02430	11.2
111.66839	4.1
113.02468	7.0
130.08739	47.2
135.04445	4.0
161.02473	9.3
200.21504	4.0
247.09926	4.1
248.10629	4.3
463.21646	45.3
499.19339	100.0
500.25369	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	32.4
61.98828	13.6
71.01369	19.0
75.00867	7.9
85.02950	7.7
113.02446	15.8
277.21753	100.0
319.22815	29.1
349.23734	8.2
453.33755	31.4
455.35272	21.8
499.34650	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2906
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
50.75361	0.3
53.94679	0.4
55.01876	0.6
57.03436	0.8
58.00592	0.6
59.01373	24.9
61.98813	1.1
69.03443	1.1
71.01377	11.7
71.62289	0.4
72.99300	1.6
73.02950	3.0
76.20808	0.4
78.95919	0.4
83.01376	2.6
85.02943	4.6
86.00101	0.4
87.00880	2.6
89.02450	1.5
95.01357	1.0
96.95988	0.5
97.02930	1.3
99.00887	1.1
101.02429	6.4
103.78533	0.4
111.00839	0.5
113.02425	2.8
120.74604	0.4
124.01675	0.6
125.02377	1.7
149.47195	0.4
199.83220	0.4
277.21783	2.2
277.24335	0.4
293.21072	0.4
295.22729	25.5
296.23062	1.3
337.23813	0.9
386.75198	0.4
400.99567	0.4
439.26938	13.9
440.27298	1.3
457.28009	34.6
458.28290	1.9
481.27765	0.6
499.29080	100.0
500.29443	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	499.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	13.9
61.98835	6.1
64.87128	2.4
71.06943	2.6
71.28634	3.0
135.04488	5.7
137.05998	3.9
218.11797	2.9
219.14026	3.6
273.46570	2.5
294.16928	2.6
319.11105	2.7
423.29047	3.1
437.30719	6.2
453.30038	6.6
455.31699	4.4
463.31088	2.7
499.30563	100.0
500.19351	3.8
500.30890	9.1
503.75800	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	499.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.21769	0.5
61.98837	2.7
69.35389	5.1
78.54906	0.5
78.95878	0.6
98.20672	1.1
107.42058	0.5
124.86371	0.5
230.65404	0.6
271.22876	1.9
287.04385	0.5
287.22296	1.0
313.23987	0.6
340.78580	0.6
420.01492	0.6
499.26733	1.1
499.33829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01370	5.3
61.98822	100.0
62.98524	0.3
65.67926	0.3
69.50432	2.0
71.01373	1.4
73.02941	0.4
76.28584	0.3
79.50213	0.3
82.88550	0.2
84.67321	0.3
85.02948	0.8
85.10816	0.2
86.24538	0.3
88.98797	1.1
89.02441	1.0
93.03492	0.5
95.60711	0.3
99.95669	0.3
101.02447	0.8
105.04198	0.3
113.02443	0.7
125.02475	0.3
128.03580	0.3
130.08733	0.7
133.03020	0.4
135.04504	0.3
137.06152	0.4
146.09833	0.3
161.02452	0.4
161.04497	0.3
173.04620	0.7
179.03384	0.3
191.05586	0.7
207.13940	0.4
243.11856	0.3
274.26639	0.3
308.07211	0.4
327.21710	0.4
329.62909	0.3
338.20029	0.3
343.21207	0.3
369.19479	0.8
436.94644	0.3
501.27707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.8
58.02967	1.3
59.01373	12.1
71.01379	4.6
76.19999	0.6
78.95899	7.6
81.03452	2.1
83.05019	0.6
85.02950	1.4
89.02444	4.2
89.09052	0.6
95.05026	1.7
96.08174	3.8
96.95993	2.7
96.96961	5.4
101.02422	1.9
109.06566	1.5
112.07695	0.6
113.02418	1.4
114.09237	6.9
116.07163	83.4
117.07525	1.1
119.03495	1.9
135.04536	0.7
135.08168	4.1
138.05615	0.8
140.01172	0.7
140.07158	8.5
142.05074	1.3
143.03497	0.6
150.12943	0.7
158.08232	4.7
177.09155	1.4
178.12346	1.1
179.05634	1.2
179.07129	2.0
181.08740	3.2
203.10870	0.8
204.13976	0.9
216.13837	0.6
232.17038	6.2
276.16040	6.7
290.04202	2.2
294.17023	8.7
320.14960	13.7
338.16043	100.0
338.63925	0.8
339.16467	4.7
380.17325	1.2
440.19409	1.2
500.13214	1.7
500.21198	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	500.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.8
60.38857	0.2
61.98822	100.0
70.13962	0.2
70.30978	0.5
70.31328	0.3
71.01370	0.4
75.00877	0.4
78.95901	0.2
85.02946	0.2
89.02460	0.3
93.20645	0.2
94.24673	0.2
101.02387	0.2
101.64252	0.2
135.04535	0.3
157.39136	0.2
440.24747	0.3
496.40842	0.2
505.14127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
61.98823	100.0
69.29382	3.1
72.21891	0.3
72.32772	0.3
72.52086	0.3
74.43784	0.3
86.30431	0.3
101.98603	0.4
113.24470	0.3
118.27267	0.3
134.20779	0.3
182.73639	0.3
292.23685	0.4
304.39133	0.3
332.45059	0.3
471.24570	0.3
500.34698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81135	0.4
58.04274	0.4
59.01369	80.6
68.01183	0.4
69.13059	0.4
69.79443	2.5
72.99299	0.7
90.97125	0.6
98.19845	0.7
101.33874	0.4
103.37523	0.4
113.65339	0.4
118.96555	0.4
132.98183	1.5
134.97047	1.2
157.03523	3.8
159.01520	1.5
174.99211	21.9
176.98051	1.3
184.27837	0.5
192.96085	0.5
201.02518	34.3
202.00945	0.4
202.02589	2.1
217.00252	100.0
218.00597	2.2
250.95142	0.7
257.44406	0.6
276.98233	2.0
281.26657	0.4
292.96155	1.9
334.97208	0.9
343.03650	4.2
344.03818	0.6
359.01392	71.7
360.01569	5.6
500.98846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
69.38652	1.1
69.39081	1.6
71.01376	0.4
72.75101	0.4
78.95892	8.7
79.95728	2.8
82.39499	0.4
82.46629	0.4
89.02472	0.3
95.97061	0.3
96.96002	100.0
96.96919	16.3
98.20647	0.7
115.51392	0.3
119.43967	0.3
123.04509	0.4
124.93304	0.3
157.00020	0.5
182.29195	0.3
263.46948	0.3
320.85657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
71.01373	0.6
71.61168	1.5
71.84798	0.7
72.99319	0.9
77.03971	1.2
78.91869	1.0
78.95860	1.5
83.01368	1.0
85.02931	1.2
88.98811	1.4
93.03432	3.1
96.27418	0.6
96.95999	13.8
96.96954	1.4
97.02931	3.4
99.01918	0.7
101.02480	1.3
108.02173	1.9
109.02925	1.0
113.02439	0.9
119.05026	0.9
120.02154	3.9
121.02967	5.5
125.02436	0.9
133.02989	0.7
137.02429	23.5
144.87041	0.7
149.02396	1.5
163.00336	4.9
163.03989	1.0
164.01140	32.5
165.01910	57.4
166.02206	1.5
173.04480	1.4
177.01895	1.2
179.03444	1.7
191.03792	0.7
191.05559	5.2
192.00616	46.1
193.01385	54.6
194.01781	1.9
207.02974	4.1
209.04784	0.8
223.05902	0.7
235.02473	1.1
265.03537	0.9
327.08664	1.4
441.19910	1.3
501.12418	100.0
502.12878	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	501.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	15.3
61.98819	0.7
71.01366	1.6
73.02966	0.5
82.95422	2.3
83.01401	0.5
85.02950	1.8
89.02433	1.1
93.03440	2.3
98.19832	1.0
101.02415	1.4
111.37457	0.4
113.02410	1.4
116.27991	0.4
117.03444	1.9
119.05007	100.0
120.05348	3.0
121.02991	1.0
132.02130	4.2
133.02951	7.9
134.03709	9.7
135.04506	5.8
137.02426	1.1
141.03899	0.5
145.02989	2.0
147.04419	0.5
149.04555	0.6
149.06046	1.7
155.98851	0.6
160.01637	20.5
161.02419	27.0
162.02818	0.8
163.03981	49.2
164.04337	1.2
165.05544	0.6
173.04523	2.5
175.03969	25.6
176.04488	0.6
177.05534	9.6
178.02745	0.5
179.03450	5.6
191.07103	0.6
193.05028	12.8
195.50479	0.4
211.13277	0.4
217.04947	0.6
220.06201	1.1
221.04498	2.3
229.67499	0.5
263.05585	0.5
323.07648	26.5
324.08038	1.5
325.04718	0.5
327.21780	1.9
337.09222	24.8
338.09549	1.2
355.10153	0.9
470.65503	0.4
501.13934	26.4
501.26831	2.1
502.14151	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03427	0.3
59.01375	7.1
69.24690	1.9
71.01374	2.5
72.99300	0.3
73.02931	1.7
83.01389	0.8
85.02937	2.6
87.70291	0.2
89.02441	1.0
96.95992	0.5
98.19838	0.5
99.00877	0.8
101.02433	4.8
103.03992	0.7
103.10110	0.2
105.03496	0.3
113.02435	1.0
117.03455	1.3
119.03452	0.3
132.02155	1.6
133.02940	28.4
134.03471	0.4
135.04510	4.6
137.02400	0.3
139.03862	0.2
161.02420	100.0
162.02763	3.0
179.03470	1.3
193.07135	8.0
194.07457	0.4
305.06799	0.3
338.26801	0.2
339.12851	1.6
410.84668	0.2
457.12491	0.4
472.73691	0.2
501.16074	51.9
502.16504	3.9
502.23587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.5
61.98824	1.7
69.55807	3.3
71.01372	4.9
73.02939	2.6
78.38598	0.5
78.95889	2.3
83.01408	1.0
85.02954	4.1
87.00854	0.8
89.02435	1.3
93.03447	2.3
96.96000	20.2
96.96918	2.9
98.20621	1.3
99.00881	1.1
101.02429	5.8
107.05032	1.5
112.98487	0.6
113.02445	2.4
117.03439	1.4
119.05016	1.1
132.02177	1.1
133.02943	19.4
134.03741	6.8
135.04510	100.0
136.04869	2.1
137.02423	0.6
161.02425	55.4
161.04576	1.9
162.02762	1.2
163.03979	1.3
173.04486	1.5
177.01878	0.8
179.03473	62.7
180.03830	1.7
190.02702	0.9
191.05598	6.3
193.04977	1.1
205.04994	1.0
207.08638	4.9
311.72614	0.6
325.11392	1.6
327.08722	1.4
339.12781	1.0
375.45151	0.6
437.76385	0.5
501.16077	78.2
502.16455	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	501.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
56.31847	0.5
59.01374	4.0
64.08874	0.5
69.55593	0.7
69.56001	2.6
71.01382	4.0
73.02930	2.7
75.00852	0.8
77.26257	0.6
77.33965	0.5
78.88474	0.5
78.95896	1.9
83.01390	1.1
85.02946	2.3
89.02428	1.2
93.03467	0.7
96.96007	21.6
96.96920	2.5
99.00875	1.0
101.02425	4.9
105.03448	0.6
107.05015	2.2
113.02435	2.0
116.38670	0.5
117.03462	1.8
120.85223	0.5
132.02165	0.9
133.02950	21.3
134.03758	6.1
135.04512	100.0
136.04822	2.9
145.05107	0.5
161.02426	58.0
161.04602	1.7
162.02769	1.9
173.04568	0.7
175.04066	0.7
179.03476	65.0
180.03824	1.1
191.05551	2.9
193.04999	1.2
205.05043	0.9
207.08704	3.8
219.81180	0.5
325.11380	1.4
339.12851	0.8
501.16080	77.9
502.16458	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	501.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.7
61.98807	1.0
70.67209	0.6
71.01372	8.1
71.61782	0.8
73.02934	0.6
78.95897	9.8
83.01392	0.7
85.02940	2.5
87.00876	0.7
89.02433	7.0
89.13785	0.5
95.01406	0.8
96.95988	0.8
96.96974	2.7
99.00913	0.7
99.04494	0.8
101.02435	3.7
112.04845	0.5
113.02414	3.6
115.00370	0.7
116.05036	2.5
118.02980	0.8
118.06602	1.4
119.03504	2.3
119.04961	0.9
120.13889	0.6
129.01987	0.5
131.03549	0.7
132.04602	0.5
133.02921	1.2
135.04463	0.7
135.11719	1.0
137.06059	0.8
140.32764	0.5
143.03606	0.6
144.04517	17.4
145.02878	0.7
145.05325	1.7
146.02425	1.0
146.06088	1.2
147.04486	2.8
148.03970	1.3
149.04521	1.4
152.83031	0.6
153.38379	0.5
158.06041	0.6
160.04048	1.7
160.07718	0.6
161.02411	1.9
161.04668	0.8
161.09698	1.0
163.03954	0.9
171.06789	0.7
171.77899	0.5
174.05629	0.9
176.07149	12.1
178.08656	0.9
179.03426	0.9
179.05609	0.9
179.10744	3.8
186.01933	1.9
186.09204	5.9
187.11342	0.6
188.03499	18.5
189.04153	1.1
190.05064	2.1
191.05568	1.1
197.39345	0.5
202.05016	7.2
203.05867	7.3
203.10823	1.5
204.02954	4.0
204.06598	7.3
205.12306	0.9
208.09737	7.4
218.04610	0.6
219.05357	0.9
220.06111	100.0
221.06470	3.2
223.09750	4.8
223.13292	1.1
229.09877	1.3
230.08177	46.2
231.08533	1.7
234.07664	36.4
235.08028	1.6
236.78745	0.5
247.09744	2.0
248.10251	1.1
248.60641	1.0
249.11276	1.3
252.08626	0.7
261.12442	4.2
262.10739	4.6
273.08749	5.0
278.06610	2.1
305.11368	16.9
306.11862	0.9
337.13971	8.9
338.13821	0.9
338.63623	1.7
339.14111	0.8
340.11530	1.0
372.14413	18.9
373.14813	1.6
382.16479	2.1
385.14929	1.0
425.16937	1.7
429.17484	0.9
457.19769	7.9
458.12509	0.7
458.20120	0.7
501.18860	9.9
502.14880	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	501.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01703	0.6
62.03380	0.2
69.54617	1.2
71.01388	1.8
73.02946	1.0
75.00903	0.2
83.01392	0.4
85.02951	0.5
89.02444	0.6
95.14145	0.2
97.27894	0.2
99.00850	0.2
101.02439	1.3
106.47976	0.2
110.67834	0.2
112.52625	0.2
113.02471	0.5
118.83057	0.2
119.03516	0.2
131.03413	0.2
131.35159	0.2
132.53130	0.2
161.04559	0.8
193.60597	0.2
203.05617	0.2
212.97920	0.2
237.18704	0.2
399.23840	1.2
441.24838	0.2
463.94998	0.2
469.16495	0.2
501.31519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92742	0.2
59.01371	100.0
60.01698	0.7
61.98824	1.8
69.03442	0.3
71.01371	3.6
73.02940	4.2
83.01368	1.1
85.02954	0.9
87.00892	0.3
89.02437	1.2
89.09328	0.2
101.02434	4.5
113.02425	1.6
119.03509	0.8
131.03465	0.5
143.03450	0.5
149.04530	0.7
161.02470	0.3
161.04523	1.5
174.33739	0.3
177.14973	0.2
210.73233	0.3
353.71643	0.2
458.69067	0.3
488.91327	0.3
501.30975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.32000	0.4
59.01373	6.6
60.99293	4.5
61.98816	1.0
67.01883	4.3
69.03455	1.2
70.75481	1.2
71.01376	4.6
73.02959	0.5
74.03321	0.5
78.88008	0.4
81.03426	1.2
82.37471	0.4
83.05019	1.1
85.02927	2.1
87.00887	0.6
88.46499	0.4
88.98795	28.8
89.02444	1.7
93.03446	25.7
94.03773	0.5
97.06567	0.8
99.00888	0.4
99.04494	0.7
101.02439	1.6
109.02964	0.6
111.00868	1.2
111.04512	4.4
113.02444	1.6
117.03464	1.2
119.03567	0.4
119.05031	1.6
127.04084	0.6
135.04514	0.7
137.02429	4.8
145.02916	5.9
150.05565	0.9
155.03467	5.4
159.04495	0.5
160.01611	1.0
161.02405	1.2
161.06056	0.5
163.03996	1.7
165.05548	0.5
171.10257	1.9
173.04520	100.0
174.04863	2.4
175.04031	1.2
176.07138	1.1
179.03387	1.0
183.13867	0.6
185.11874	0.7
187.03960	2.7
189.05562	0.5
191.05693	0.6
194.08247	0.7
211.13370	5.5
217.05002	3.4
220.06120	3.9
221.11807	0.6
226.01387	0.5
229.14413	3.5
239.12848	0.5
257.07803	0.5
291.19470	0.9
327.21692	20.5
328.22000	1.0
337.09326	0.7
338.63748	0.5
441.62445	1.2
501.26907	21.7
502.20532	0.5
502.27371	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55922	0.4
57.03454	0.4
58.00589	0.9
58.95148	0.3
59.01372	100.0
60.01727	0.4
61.98820	7.7
69.03456	0.6
70.45800	0.8
70.46201	0.6
71.01373	14.0
72.99322	0.8
73.02938	3.1
75.00868	0.5
76.08338	0.3
83.01391	1.7
83.19965	0.4
84.02156	8.9
85.02948	3.4
86.00054	0.4
87.00875	2.7
87.04521	0.6
89.02433	7.4
93.03483	0.5
95.01397	1.0
96.95994	0.4
97.02948	0.8
99.00874	1.0
101.02434	7.4
111.00872	1.8
113.02435	4.1
119.03508	1.3
125.02415	1.7
129.01968	0.8
131.03505	1.4
133.02968	0.5
135.04530	1.3
137.02512	0.6
137.06085	0.8
143.03529	0.7
149.04552	2.0
154.78569	0.3
159.02968	0.5
161.02444	1.6
161.04581	1.9
173.04527	0.9
179.03522	1.2
179.05566	0.6
191.05612	1.2
206.86488	0.4
207.13860	23.3
208.14326	0.9
225.27415	0.3
233.06636	0.5
251.20084	0.5
261.12363	0.4
279.16000	1.8
293.08633	1.8
327.21722	0.4
339.25299	1.8
369.19125	9.4
501.23599	16.8
501.30713	1.6
502.24188	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	501.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44149	0.3
52.55589	0.3
59.01371	100.0
60.01706	0.4
69.32972	1.1
69.33392	2.1
71.01376	3.1
72.99274	0.3
73.02932	1.8
75.00863	0.4
83.01397	0.7
85.02950	1.0
86.58515	0.3
89.02439	1.2
95.01395	0.4
99.53986	0.4
101.02425	2.2
113.02449	1.2
120.50272	0.3
125.27095	0.3
130.08696	0.5
134.03731	0.3
161.04538	0.6
173.37440	0.3
279.23267	1.0
322.19797	0.3
399.23672	0.5
409.31223	0.7
421.31232	0.5
437.30127	0.4
439.31851	2.4
441.28845	1.1
453.30096	0.5
455.31577	1.4
455.73563	0.5
459.29648	2.7
464.86258	0.3
471.31134	0.6
483.31287	0.4
489.22168	0.4
501.31802	19.6
502.32413	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
58.00614	0.5
58.37107	0.5
59.01373	100.0
60.01706	1.0
60.99306	0.8
61.98823	54.8
63.99244	0.6
64.47587	0.5
67.01878	4.1
69.03445	1.3
71.01374	9.9
72.99293	0.8
73.02943	1.4
75.00869	0.5
81.03455	0.6
83.01379	0.5
83.05038	1.2
85.02945	3.0
87.00874	1.5
87.04475	0.6
89.02448	4.7
93.03447	22.4
95.01380	0.5
96.96006	1.1
98.20661	0.8
99.00880	1.5
101.02435	4.7
108.10162	0.5
109.02941	0.5
111.00861	0.8
111.04490	4.7
111.08115	1.3
113.02448	3.9
119.03480	2.2
119.24004	0.5
133.02956	0.7
135.04475	1.5
137.02405	5.0
137.06068	2.1
145.02925	0.7
155.03477	4.2
161.02377	1.9
161.04500	1.9
169.12396	1.0
173.04523	82.7
174.04845	2.3
179.03439	1.2
183.13673	0.6
191.05576	2.2
194.04570	1.9
197.11813	9.1
199.13405	2.0
207.13802	0.8
211.13382	1.4
236.05562	1.1
239.16481	0.8
282.51495	0.5
291.19720	0.9
309.20639	0.9
327.21713	24.2
328.22006	1.9
339.25146	1.3
369.19000	0.9
396.60645	0.5
406.23853	0.5
501.26672	17.2
502.16788	1.1
502.27264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01728	0.5
61.98808	0.6
67.01912	0.4
71.01382	1.3
85.02924	0.6
89.02466	0.7
93.03470	1.2
101.02421	0.6
113.02441	0.5
124.98288	0.4
129.72572	0.4
173.04530	4.8
207.06584	0.6
213.14624	0.3
327.21918	1.0
399.23599	0.5
433.32541	0.3
501.27194	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	501.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01373	100.0
60.01725	0.9
61.98825	10.1
62.98543	0.4
69.28837	2.2
71.01375	2.9
73.02939	2.1
78.95289	0.3
83.01407	0.6
84.44760	0.3
85.02939	2.0
87.04505	0.8
89.02458	1.1
93.03505	0.2
96.95979	0.4
98.95655	0.2
99.92636	0.4
101.02428	2.2
103.04009	0.7
108.04561	0.4
111.04520	0.3
111.76146	0.2
113.02441	1.2
115.92090	0.5
116.92853	1.0
119.03520	0.5
127.04058	0.4
135.39047	0.2
137.00760	0.3
137.02437	0.3
137.06067	1.7
140.07159	0.6
160.94463	0.2
161.02448	0.3
161.04575	0.8
166.08746	0.6
199.90726	0.3
247.08340	0.3
278.10358	1.0
331.55621	0.3
339.25388	0.4
369.74783	0.3
398.15994	0.4
399.27899	0.6
427.32202	0.9
501.30682	4.5
502.17578	0.4
502.30774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.1
58.00585	2.4
59.01373	43.9
61.98812	4.1
69.03433	2.6
71.01376	38.1
71.61517	1.4
71.61916	2.0
72.99297	3.2
73.02949	13.7
76.29156	1.4
76.84438	1.5
78.95870	1.6
83.01362	4.7
85.02944	21.6
87.00869	4.6
89.02435	14.0
95.01358	4.8
97.02960	1.8
99.00848	1.7
100.58278	1.5
101.02441	17.6
113.02431	23.6
119.03468	4.7
125.02433	2.2
135.04414	1.5
161.02446	1.6
161.04482	1.6
183.13821	6.6
216.99947	1.3
279.20386	1.8
279.23291	33.3
280.23691	2.0
293.24823	2.4
297.24280	5.9
372.58426	1.5
439.32010	2.1
441.22635	3.0
441.28540	54.0
442.28714	4.1
447.81409	1.6
459.29550	62.9
460.29715	5.1
501.30661	100.0
502.31174	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	501.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12737	0.5
55.01870	2.0
56.10577	0.5
57.03429	2.5
58.00574	1.6
59.01372	100.0
60.01697	0.8
61.98820	10.9
69.03475	0.7
71.01373	47.0
71.61541	0.6
72.99296	2.9
73.02935	11.7
75.00880	0.7
75.14130	0.5
83.01372	5.4
83.20992	0.5
85.02939	17.5
87.00864	2.6
87.04509	6.1
89.02433	24.3
93.03460	0.8
95.01372	4.0
96.96008	1.5
97.02959	0.8
99.00877	3.0
101.02431	29.9
106.04260	1.0
107.05001	3.0
111.00883	0.8
113.02428	19.0
114.02764	0.8
116.92852	1.6
119.03490	11.1
125.02411	0.8
131.03506	1.0
135.04495	1.0
143.03481	3.2
151.04016	1.8
159.02985	2.5
161.02400	1.8
161.04536	15.5
162.04796	0.5
163.14905	1.0
163.32735	0.6
165.06616	0.7
169.11543	0.6
170.73587	0.6
173.04521	1.4
179.03502	1.0
179.05568	5.2
215.18074	0.7
269.18918	0.6
295.16913	0.9
321.24451	1.2
339.25330	14.5
340.25903	1.3
413.25220	1.4
483.29538	1.1
501.30624	68.2
502.30908	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	501.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.68345	0.2
57.03449	0.6
58.00589	1.0
59.01374	41.6
69.03468	0.7
69.78826	1.1
71.01376	23.3
72.01730	0.3
72.82862	0.2
72.99303	0.9
73.02938	19.3
73.22315	0.2
77.73615	0.3
82.62849	0.2
83.01371	4.7
85.02943	5.9
86.41219	0.3
87.00864	2.8
89.02435	8.5
95.01403	1.4
95.01904	0.2
97.02943	0.7
99.00880	0.9
101.02434	16.0
101.58740	0.3
102.02783	0.3
112.01757	0.2
113.02436	7.8
119.03492	2.8
120.36085	0.2
122.55291	0.2
124.01611	0.4
125.02440	0.5
131.03508	0.9
155.03474	0.3
161.04504	1.0
183.13918	2.9
279.23245	15.9
280.23605	1.1
293.24939	0.4
297.24301	3.8
298.24698	0.4
319.08041	0.3
371.16281	0.3
439.32364	0.4
441.28485	10.3
441.34586	0.6
442.28693	0.6
459.29572	20.3
460.29947	1.7
501.30618	100.0
502.30981	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	501.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93028	2.4
51.96000	2.9
59.01373	41.3
61.98808	7.3
62.70500	2.6
71.01386	14.2
73.02936	15.1
84.37743	2.7
85.02935	3.9
87.00871	2.9
89.02425	5.1
101.02415	6.7
113.02440	10.2
118.44929	2.4
125.19074	2.5
142.67375	2.3
147.48279	2.8
263.23633	5.0
265.25281	5.0
275.23666	7.3
279.23245	100.0
280.23706	7.5
293.21649	5.3
293.24829	79.4
294.25342	2.9
303.23331	7.9
307.89063	2.3
321.24319	20.9
501.33270	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	501.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29670	2.5
57.38707	2.3
59.01369	38.9
61.98516	4.3
61.98821	68.1
66.06181	2.6
70.69852	7.9
71.01366	17.1
73.02925	9.6
85.02918	3.8
87.00865	6.2
87.20331	2.6
89.02426	3.4
101.02405	4.0
102.20639	2.6
112.98766	4.5
113.02422	12.0
114.11775	3.0
138.04312	2.8
139.07614	2.9
148.55617	2.7
150.15131	3.6
151.95764	3.1
183.72227	2.7
235.67696	3.1
263.23587	4.6
275.23926	4.9
277.21707	5.1
279.23248	100.0
280.23621	3.7
293.24847	53.5
294.24921	3.8
303.23303	4.0
306.49634	2.9
321.24286	19.1
351.25208	3.6
421.74265	2.6
455.34686	3.1
457.33160	2.5
501.23331	3.3
501.34735	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12737	0.5
55.01870	2.0
56.10577	0.5
57.03429	2.5
58.00574	1.6
59.01372	100.0
60.01697	0.8
61.98820	10.9
69.03475	0.7
71.01373	47.0
71.61541	0.6
72.99296	2.9
73.02935	11.7
75.00880	0.7
75.14130	0.5
83.01372	5.4
83.20992	0.5
85.02939	17.5
87.00864	2.6
87.04509	6.1
89.02433	24.3
93.03460	0.8
95.01372	4.0
96.96008	1.5
97.02959	0.8
99.00877	3.0
101.02431	29.9
106.04260	1.0
107.05001	3.0
111.00883	0.8
113.02428	19.0
114.02764	0.8
116.92852	1.6
119.03490	11.1
125.02411	0.8
131.03506	1.0
135.04495	1.0
143.03481	3.2
151.04016	1.8
159.02985	2.5
161.02400	1.8
161.04536	15.5
162.04796	0.5
163.14905	1.0
163.32735	0.6
165.06616	0.7
169.11543	0.6
170.73587	0.6
173.04521	1.4
179.03502	1.0
179.05568	5.2
215.18074	0.7
269.18918	0.6
295.16913	0.9
321.24451	1.2
339.25330	14.5
340.25903	1.3
413.25220	1.4
483.29538	1.1
501.30624	68.2
502.30908	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	501.3216
Annotation	Dianic acid
Peak:m/z	Relative Intensity
59.01372	17.8
61.98814	0.8
69.98566	0.4
71.01381	2.9
71.05006	2.0
73.02945	2.0
83.01369	0.5
85.02940	0.7
87.04532	0.6
89.02431	1.8
98.20635	0.8
99.87133	0.4
101.02437	2.0
113.02406	1.0
119.03468	0.8
147.30060	0.3
161.02332	0.4
161.04555	0.5
265.93405	0.4
279.23267	1.1
327.83292	0.4
355.26297	0.7
363.27106	0.5
367.26172	0.5
377.28482	0.5
379.30090	0.4
387.25720	0.5
393.27734	0.5
407.29330	0.7
409.31183	0.7
411.28970	1.1
423.29132	1.3
427.31946	2.0
435.28888	0.8
441.28986	1.6
448.17136	0.4
453.30008	15.8
454.30344	1.7
459.29633	1.6
471.31079	16.1
472.31778	1.8
483.31165	3.6
501.32098	100.0
502.32455	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	501.3215
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
59.01334	0.6
71.53618	0.6
71.53967	0.8
86.00100	0.6
191.14178	0.5
204.51001	0.6
204.67020	0.5
219.13881	7.0
253.18069	2.8
296.57236	0.5
411.28754	0.7
425.26968	0.8
427.32028	1.4
455.31546	11.2
456.31985	1.4
457.33234	2.2
471.31079	72.4
472.31433	6.9
501.32169	100.0
502.32507	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	501.3217
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
59.01373	1.2
61.98814	1.2
78.95904	0.4
98.19819	0.6
99.43886	0.3
123.28328	0.3
189.12823	1.0
206.37802	0.3
244.26973	0.4
337.85718	0.4
350.47009	0.4
379.29865	1.0
413.34250	2.3
423.29025	20.3
424.29669	1.9
426.08881	0.4
439.32095	20.2
440.32532	2.1
444.68893	0.4
457.33234	7.4
457.65698	0.3
458.34109	0.6
483.31082	4.3
484.31070	0.5
501.32178	100.0
502.32523	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	501.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90524	0.4
55.43203	0.4
57.03432	2.3
59.01373	3.1
61.98827	0.6
71.05013	1.5
71.09695	0.8
71.90382	0.5
83.05032	0.5
95.05027	0.7
97.06576	7.3
123.08153	4.1
125.09704	39.9
126.10026	0.9
127.11287	1.1
129.57445	0.5
133.52879	0.4
143.10764	1.2
155.10767	0.7
169.08650	0.9
171.10258	0.6
173.11781	3.3
187.09732	18.6
247.20549	2.0
265.21808	1.5
291.19498	0.8
295.22748	0.8
309.20529	2.6
313.23804	4.3
327.21683	3.3
329.23450	0.7
331.24817	14.1
331.28537	0.8
332.25101	0.9
345.22861	1.7
411.33035	0.8
426.83661	0.5
437.30341	0.7
439.32031	3.9
455.31708	1.6
457.33313	7.1
458.33493	0.6
467.31699	0.7
469.33408	2.4
471.30908	0.5
483.31995	3.1
501.33954	100.0
502.34131	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	501.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90704	1.7
55.98967	1.1
57.03442	7.2
59.01373	8.0
61.98788	1.6
64.05255	1.3
71.01350	1.3
71.04964	4.6
71.41542	2.0
74.05919	1.2
81.85280	1.5
83.04984	2.6
90.59080	1.2
91.66586	1.2
97.06548	1.9
101.06020	3.5
109.06544	1.7
136.25232	1.0
145.84369	1.4
191.14262	1.8
230.83836	1.2
259.30634	1.3
271.16821	1.3
307.23975	3.3
307.42441	1.3
374.26151	1.5
387.25116	1.5
389.27997	2.5
391.29617	5.3
393.31177	4.4
403.29642	1.5
409.30542	1.5
419.29166	1.7
421.30493	3.9
423.28375	1.6
425.30408	2.6
435.28909	15.1
437.30524	54.6
438.30405	5.3
439.32104	10.0
441.30328	1.4
451.31891	1.5
455.30957	3.9
457.33075	19.2
458.33160	1.6
465.29565	3.0
467.31570	48.2
468.31516	5.0
469.32520	68.9
470.32849	4.8
471.30765	2.5
473.33105	1.4
483.31104	31.5
484.30823	3.3
492.64386	1.6
501.31613	100.0
502.31882	7.8
513.32135	50.9
514.31781	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	501.3579
Annotation	Lamesticumin A
Peak:m/z	Relative Intensity
57.30598	0.2
58.00583	1.0
59.01377	1.6
60.99289	0.2
61.56235	0.2
71.01361	0.3
71.61782	0.3
73.02941	0.3
83.46674	0.2
93.09453	0.2
97.06570	1.4
131.89572	0.3
153.09186	0.4
189.57379	0.3
255.40929	0.3
277.21692	1.1
357.26404	0.3
374.26022	0.3
381.70166	0.3
387.30688	0.6
389.28427	3.4
393.31650	0.4
397.95166	0.3
405.31662	0.5
406.28668	4.8
407.29413	1.3
419.31415	0.3
421.31296	2.5
423.32639	9.3
424.32870	1.2
437.30573	0.7
439.27432	0.5
439.32236	1.1
455.31442	1.0
457.33124	1.7
467.31577	0.3
469.33136	100.0
470.33441	9.4
470.40161	0.5
483.31198	1.1
501.32175	8.3
501.35876	5.4
502.31195	0.4
502.37100	0.4
513.31970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95802	0.8
57.03440	3.4
59.01372	100.0
60.01702	3.9
61.98829	6.6
69.03448	1.3
71.01377	8.3
71.61257	1.3
72.01702	1.5
73.02936	11.5
80.05044	4.2
81.03458	3.2
83.01384	2.6
83.05019	2.0
84.02163	1.4
85.02943	20.4
87.00878	1.3
87.04504	3.5
89.02452	2.0
93.03459	1.4
95.01407	1.2
96.96022	1.6
97.02892	1.5
99.00864	1.6
99.04525	3.3
101.02415	5.2
103.04002	3.7
107.05058	1.2
108.04542	7.0
108.05194	1.3
109.02921	1.2
111.00872	1.9
111.04513	8.7
113.02428	4.6
117.79698	0.8
119.03469	1.7
119.04990	1.5
127.04006	11.0
134.06110	3.5
135.04512	1.5
137.02420	8.4
137.06058	24.6
139.07538	1.0
140.07167	16.5
145.03085	0.9
152.03531	4.6
159.03001	1.0
161.02429	1.9
161.04439	1.2
166.08688	11.2
172.04149	1.0
179.03539	1.7
192.06628	2.4
202.08705	2.9
207.17465	1.3
216.05884	0.8
228.06604	1.8
234.11336	2.2
268.19446	0.9
275.09125	5.3
278.10291	18.1
317.10291	2.5
330.13327	8.7
340.25604	1.1
382.26801	1.4
398.15930	1.8
400.27838	2.1
501.31064	6.5
502.17084	12.7
502.31052	21.0
503.17038	1.3
503.33203	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	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43025	0.3
56.86708	0.2
59.27602	0.2
60.50389	0.2
61.98821	100.0
62.99251	0.3
67.74055	0.2
70.90022	0.6
81.58247	0.2
102.61729	0.2
120.04597	0.3
179.04539	0.3
267.11127	0.3
386.02264	0.3
450.09863	0.3
486.26550	0.2
528.11884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56409	0.2
61.98823	100.0
71.39025	0.4
86.93842	0.2
146.61293	0.2
147.79631	0.2
151.64284	0.2
217.04152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	0.1
59.01373	1.0
62.23066	0.0
63.89052	0.0
69.87238	0.1
71.01366	0.3
78.95895	6.9
82.25149	0.0
83.05009	0.2
92.21528	0.0
96.96956	0.1
97.06600	0.1
98.20540	0.0
99.04499	0.1
113.06089	0.1
115.77747	0.0
127.07651	0.2
141.09148	0.1
144.68497	0.0
152.53737	0.0
152.99559	0.7
162.57594	0.0
168.04289	1.9
171.00603	0.1
182.13150	0.1
191.10762	0.1
203.17955	0.0
205.19557	0.1
224.06892	1.1
233.22731	0.4
242.07953	3.3
243.08260	0.1
259.20612	0.5
275.20035	0.3
277.21664	100.0
277.88651	0.0
278.22003	5.4
329.82883	0.0
475.23288	0.0
502.29321	10.8
503.29376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
59.98499	0.1
61.98817	0.1
62.96401	0.1
71.01362	0.3
78.95894	26.1
83.05035	0.2
90.26485	0.1
96.96946	0.5
97.06583	0.1
98.19861	0.2
99.04522	0.1
104.97458	0.1
111.36237	0.0
113.06068	0.1
122.98515	0.3
125.42512	0.0
127.07643	0.3
134.98515	0.2
141.09195	0.1
150.97974	0.1
152.99565	3.1
160.97556	0.0
168.04288	4.2
171.00632	0.1
194.05824	0.3
202.36874	0.0
205.19582	0.2
219.14107	0.1
224.06891	11.2
225.07233	0.3
233.15475	0.1
233.22809	0.3
242.07962	2.9
243.08269	0.1
259.20605	0.6
261.87778	0.1
275.20081	0.5
277.21671	100.0
278.22003	5.8
309.17593	0.1
328.42416	0.0
330.08231	0.1
338.99963	0.1
413.20856	0.1
431.22192	0.1
502.29315	34.4
503.29639	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	502.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
66.35477	1.3
71.24957	3.0
107.89372	1.4
153.19652	1.5
290.89352	1.7
378.94177	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.119
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.82230	0.3
55.01932	0.3
59.01370	6.7
70.61814	0.7
70.62143	0.4
71.01372	5.4
72.99266	0.5
73.02964	1.3
75.00870	0.3
78.95892	5.0
78.96307	0.5
83.01374	0.5
85.02962	1.3
89.02436	6.8
91.05530	0.4
96.96023	0.7
96.96947	1.6
99.00884	1.4
101.02433	3.8
107.05051	1.1
109.52490	0.4
113.02440	2.0
117.03486	0.6
119.03484	0.8
125.02436	0.6
128.10202	0.3
131.03476	1.8
133.02939	7.2
134.03741	3.2
135.04507	85.5
136.04831	2.1
138.54456	0.3
145.02908	0.4
149.04530	5.3
149.05830	0.5
161.02422	23.4
162.02800	0.4
175.03960	0.5
177.05553	1.2
179.03470	100.0
179.10736	1.0
180.03821	2.9
191.05577	1.1
203.03465	6.6
204.03877	0.5
208.09666	0.4
221.04462	0.7
223.09901	0.4
251.07776	0.4
280.31039	0.3
281.06610	0.3
323.07660	14.5
324.08096	0.9
341.08600	4.1
341.12344	0.8
503.11621	12.0
504.12189	1.4
504.54715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	1.3
59.01379	18.7
63.49198	1.1
63.68097	1.2
67.01888	9.4
68.99810	11.2
69.03459	6.2
69.32851	12.4
78.92384	1.3
81.03413	1.4
83.05023	3.8
85.02926	6.4
93.03450	33.1
95.01378	5.7
99.04504	3.9
101.02438	14.8
107.05032	5.2
109.02942	1.5
111.00870	78.6
111.03794	2.2
111.04505	31.6
113.02447	13.7
119.05010	2.9
121.02945	3.9
123.04518	3.2
125.02428	2.6
125.06039	3.4
127.03992	22.8
135.04483	7.9
137.02440	16.5
137.06042	1.9
139.00359	48.3
149.02425	3.0
153.05586	8.9
155.03410	1.8
163.04019	6.0
165.01944	8.8
171.02954	5.8
179.03456	6.6
195.06483	2.1
207.02936	3.8
273.07654	31.1
274.07898	2.1
275.05566	28.3
279.42429	1.3
287.09079	1.4
291.08624	1.9
307.08191	100.0
308.08377	7.9
315.08688	35.6
316.09042	1.8
333.09732	12.9
343.08289	2.3
361.09048	3.8
403.10397	2.2
435.12891	9.8
484.29544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	17.5
65.03952	1.4
65.04945	0.6
67.01885	11.4
68.99802	10.7
69.03448	5.1
69.36909	5.9
69.37245	1.2
75.84032	0.7
81.03418	1.2
83.05035	3.7
85.02946	5.3
93.03446	30.6
95.01365	8.3
98.20658	1.5
99.04520	3.4
101.02431	16.0
107.05011	4.9
109.02957	1.9
111.00867	69.5
111.04504	30.2
113.02437	10.3
119.05008	3.3
121.02964	3.2
123.04522	1.9
125.02454	1.7
125.06057	0.8
127.03990	19.4
135.03577	1.0
135.04530	7.6
137.02432	10.3
137.06064	1.7
139.00368	35.7
140.00694	0.8
143.03471	1.1
149.02396	3.9
151.04013	0.6
153.05565	7.8
153.56781	0.6
159.10886	0.7
163.03992	5.7
165.01918	8.0
171.02977	3.7
177.05469	0.8
179.03511	6.2
195.06520	1.3
207.02939	3.0
211.06047	0.7
269.56232	0.7
273.04694	1.3
273.07663	25.9
274.08212	1.4
275.05579	22.8
276.05881	0.9
287.09183	2.4
291.08734	2.2
307.08182	100.0
308.08566	6.4
315.08688	34.8
315.12436	0.9
316.09015	2.2
333.09741	12.6
343.08203	1.4
361.09088	3.2
375.10788	1.3
403.10254	2.5
403.68265	0.7
435.12799	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	503.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58759	0.3
59.01373	6.0
69.32762	2.3
71.01369	3.6
71.23901	0.2
73.02947	0.8
78.79449	0.3
83.01369	0.4
85.02927	1.4
87.00873	0.7
89.02431	2.3
95.01375	0.5
96.96015	0.5
101.02414	2.2
109.02919	0.4
113.02443	2.3
119.03522	0.9
119.04990	0.8
132.02161	0.8
133.02940	20.1
134.03419	0.3
135.04507	11.2
137.02513	0.3
137.29843	0.3
149.06044	1.0
161.02422	100.0
162.02765	2.6
169.05136	0.3
175.03946	0.8
177.05544	1.4
179.03471	23.7
180.03827	0.7
187.06119	0.5
191.05594	0.3
203.03505	3.2
212.59621	0.3
221.04521	2.2
251.05653	0.7
281.06635	1.2
281.10193	1.1
299.11353	0.6
341.08685	52.9
342.09100	2.4
398.48120	0.3
443.15381	0.3
461.16510	1.2
503.13770	4.8
504.14139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
58.66798	0.3
59.01374	13.7
69.85717	1.9
71.01377	8.7
73.02940	2.6
83.01389	1.1
85.02942	2.4
87.00900	0.6
89.02435	6.0
95.01412	0.6
96.95998	1.1
97.02925	0.4
101.02428	5.0
105.87276	0.3
107.04961	0.3
112.00723	0.3
113.02429	4.7
117.03506	1.3
119.03527	2.4
119.05000	4.5
131.03491	0.5
132.02161	2.4
133.02937	20.1
134.03731	0.6
135.04510	26.2
136.04854	0.5
137.02438	0.5
137.06050	0.6
143.03506	0.9
149.04672	0.3
149.06076	1.5
151.20229	0.3
160.01645	3.8
161.02423	100.0
162.02773	2.9
177.01897	0.5
177.05556	2.2
178.02721	0.4
179.03473	44.1
180.03876	1.2
193.05280	0.3
203.03500	2.6
203.08247	0.6
207.58302	0.3
221.04443	2.2
251.05582	0.7
281.06793	1.0
281.10187	6.7
299.11386	4.8
323.03937	0.7
323.07614	8.9
341.08710	61.7
341.12299	3.9
342.09030	3.2
342.12582	0.5
383.09616	0.5
413.10886	0.9
461.16525	2.6
486.10284	0.4
495.85342	0.4
502.17606	0.4
503.13797	22.4
504.13828	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03430	1.4
59.01371	15.4
61.98817	2.8
71.01371	10.9
71.62226	1.5
72.99297	2.3
73.02940	2.8
75.00862	60.9
81.03456	1.2
83.01372	2.1
85.02936	5.5
87.00865	6.0
89.02433	8.7
91.84407	0.9
96.95987	1.4
99.00867	1.7
101.02424	7.8
105.01914	4.3
111.00858	3.7
113.02420	4.0
113.99460	0.9
116.92846	6.2
117.01887	1.0
117.03445	1.2
119.03470	3.5
123.04504	1.2
128.03619	0.8
129.01895	1.9
132.02174	1.3
133.02953	6.7
134.03720	15.9
135.04523	8.5
143.03494	2.5
147.02919	1.2
147.04530	2.0
149.02399	1.1
149.06078	2.9
151.03995	1.4
158.15976	0.9
160.01624	8.8
161.02420	20.0
161.04543	3.4
162.02808	1.0
167.03468	1.2
175.03966	12.4
176.04712	4.1
177.05511	3.1
178.02644	1.8
179.03452	9.1
189.05762	1.1
191.05598	1.7
191.07124	6.3
193.05016	18.3
203.03520	1.6
207.06519	2.4
213.52777	0.9
220.03711	1.7
221.04533	2.4
235.06065	10.9
265.07153	2.4
281.06622	2.6
283.06140	1.4
291.07135	2.7
295.08160	3.1
297.07526	1.7
309.08011	3.1
317.38776	0.9
327.09262	30.7
337.07257	1.0
341.10907	30.9
365.06705	1.5
383.07443	8.7
409.11160	1.0
467.11853	2.0
471.11264	2.0
485.13077	3.0
503.13919	100.0
504.14056	7.9
506.35175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39792	0.8
59.01089	1.6
59.01374	13.8
61.98812	1.6
65.78841	0.9
66.35645	0.8
67.59484	0.9
71.01379	11.4
71.05011	0.8
71.38805	1.6
72.99303	3.2
73.02944	3.5
75.00864	77.7
76.37105	0.8
81.03451	1.5
81.79817	1.0
83.01385	1.3
85.02932	3.4
87.00866	23.9
87.04514	1.4
89.02430	10.2
96.95982	3.1
99.00890	1.0
99.04527	1.5
100.18790	0.8
101.02420	7.0
109.02917	0.8
112.38557	0.9
112.94496	0.8
113.02443	4.1
115.03999	1.1
117.03411	0.9
119.03493	4.8
119.05023	1.1
132.02159	1.3
133.02927	6.6
134.03731	10.3
135.04523	11.3
143.03444	2.7
145.05003	1.4
148.05286	1.4
149.06036	3.8
160.01598	2.6
160.20999	0.9
161.02425	22.5
161.04482	9.2
175.03934	5.4
176.04755	4.8
177.05537	3.9
179.03479	9.6
179.05612	1.4
191.07101	7.8
192.04144	0.9
193.05035	11.4
207.06575	3.0
220.03882	1.0
221.04492	4.2
235.06100	15.2
235.08208	1.9
251.05458	1.9
265.07138	3.3
281.06650	2.9
295.08243	3.8
305.08780	1.4
309.08292	1.2
323.09839	3.1
327.01871	0.9
327.09341	8.7
327.55731	1.0
341.10861	94.1
342.11130	3.5
350.03629	1.0
355.10333	2.2
427.45993	1.1
427.90268	0.9
443.12149	1.1
443.18655	1.4
467.11700	1.6
485.12952	7.3
486.13544	1.3
503.13995	100.0
504.14417	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	503.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44788	0.1
52.11451	0.1
52.96576	0.1
59.01373	3.5
60.40731	0.1
69.03477	0.1
71.01379	2.0
73.02939	1.0
77.03966	0.2
83.01398	0.4
85.02941	0.4
87.00896	0.2
89.02435	0.7
89.03941	0.2
93.03455	0.2
95.05042	0.1
99.00913	0.1
101.02430	1.0
104.02659	0.1
105.03438	0.6
106.04218	0.1
107.05035	0.2
109.02916	0.1
113.02451	0.7
115.01920	0.2
117.03461	3.4
119.03536	0.3
119.05013	4.7
121.02959	0.2
123.04515	0.5
124.00407	0.1
125.02560	0.1
131.03590	0.1
132.02156	2.2
133.02942	37.5
134.03647	1.1
135.04506	9.4
136.04842	0.2
137.02461	0.6
137.06046	0.6
139.04034	0.2
145.02937	9.1
146.03313	0.2
153.05560	0.3
159.04510	0.2
160.01610	0.2
161.02423	100.0
162.02769	2.8
163.03993	3.9
163.05373	0.2
164.04242	0.1
170.99217	0.1
173.06012	0.2
177.05516	0.2
179.03470	5.1
180.03769	0.2
187.03987	0.1
203.03479	0.3
205.05032	0.1
247.06020	0.1
269.58994	0.1
297.09644	0.6
339.10718	0.6
443.13504	0.2
446.84036	0.1
461.14557	0.5
503.15509	61.9
504.15851	5.3
522.49298	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	503.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30914	0.2
52.61152	0.2
59.01376	6.7
61.98822	0.6
68.99809	0.7
69.03457	0.6
69.96986	0.2
71.01377	2.6
71.61764	0.3
72.99290	0.3
73.02936	1.1
77.03985	0.2
78.95899	1.0
83.01384	0.4
85.02945	0.8
89.02444	1.3
89.03967	0.2
89.42662	0.2
89.51122	0.2
93.03471	0.4
94.70358	0.2
95.01397	0.5
96.95992	0.3
99.00869	0.3
101.02438	2.0
105.03464	0.6
111.00885	0.3
113.02451	1.2
117.03463	5.0
118.95688	0.2
119.03583	0.4
119.05014	7.6
121.02932	0.6
123.04519	0.9
125.02428	0.4
131.03500	0.3
132.02176	2.1
133.02946	38.5
134.03670	1.0
135.04515	11.7
136.04842	0.4
137.02437	0.5
137.06049	0.7
137.07050	0.3
139.04082	0.3
145.02939	15.6
146.03297	0.6
149.02470	0.3
150.03201	0.6
151.03989	0.3
152.99579	0.4
153.05501	0.4
161.02428	100.0
162.02773	2.7
163.03993	7.0
164.04330	0.4
179.03487	5.8
203.03600	0.3
279.09827	0.3
297.09708	0.7
310.08801	0.4
325.20264	0.6
339.10748	1.1
340.11868	0.3
371.20694	0.4
385.22174	0.9
387.09991	0.6
461.14545	0.9
503.15485	66.3
504.15826	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	503.1552
Annotation	Dracunculifoside K
Peak:m/z	Relative Intensity
54.26863	0.5
59.01389	2.4
65.68739	0.5
69.14816	0.4
69.44057	1.0
69.44466	2.1
71.01375	3.7
73.02964	0.7
78.95882	3.3
85.02926	1.1
89.02435	1.5
96.96954	1.2
98.19881	0.6
101.02439	2.0
103.83488	0.5
105.03448	0.5
109.03002	0.5
113.02427	1.1
117.03465	1.2
121.02967	0.6
125.82405	0.4
131.03551	0.6
131.05052	0.5
132.02165	1.6
133.02943	36.2
134.03679	1.5
135.04507	27.7
136.04858	0.9
137.02420	1.0
137.26100	0.4
139.03952	0.6
145.02930	0.8
145.44600	0.4
146.03714	19.6
147.04437	1.8
149.04503	1.0
149.06071	1.1
161.02419	100.0
161.06017	5.8
162.02792	2.3
163.03986	1.0
164.04767	12.4
165.05539	0.4
175.04001	1.0
177.01819	0.5
177.05545	3.8
179.03485	17.7
179.07098	12.3
180.03809	0.6
203.03497	1.2
220.03677	0.5
221.04514	5.8
225.11330	1.3
233.04539	0.5
234.07651	0.6
251.05405	0.4
263.05426	0.9
280.05807	0.8
323.07654	47.9
324.07928	1.9
337.09393	0.6
343.50803	0.5
499.86270	0.4
502.65143	1.1
503.15521	66.5
504.15881	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	503.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.6
63.91094	0.7
71.01371	5.1
71.06018	2.1
75.00851	1.2
81.37462	0.9
85.02944	4.3
86.07104	0.7
89.02433	3.0
93.03419	2.1
98.20451	0.8
101.02405	1.7
107.82567	0.7
108.02189	1.2
109.02956	1.5
113.02429	3.1
117.03429	1.7
121.02945	1.8
123.04515	1.4
132.02165	2.0
133.02954	7.2
134.03729	14.3
135.04515	34.7
136.04817	1.4
137.02449	6.8
139.03973	1.1
145.02931	2.9
147.04581	1.0
160.01653	10.5
161.02451	5.2
170.93690	0.8
173.85410	0.8
175.04002	12.4
176.04747	1.0
178.02673	2.3
179.03484	47.5
180.03850	1.4
190.02684	0.8
191.05560	11.1
191.07094	1.6
193.05046	7.3
199.03839	0.7
207.06595	0.9
213.05528	7.1
235.06090	3.0
240.04276	1.0
241.05022	22.3
242.05804	54.4
243.06148	2.8
256.07367	12.7
257.08154	100.0
258.08533	5.5
341.10236	52.6
342.10455	4.0
419.13382	8.1
503.17328	21.0
504.16809	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1611
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
51.95087	1.3
54.46244	1.8
58.62671	1.8
59.01371	18.6
69.03428	1.5
69.96004	4.6
69.96416	3.7
71.01382	19.8
72.99327	1.6
73.02940	3.4
75.00869	3.9
78.95898	23.7
80.91222	1.4
83.01392	1.9
85.02946	18.7
87.00866	19.1
89.02431	15.2
93.03449	4.5
95.01402	1.7
96.96004	15.5
96.96949	42.3
97.02946	6.0
98.20575	1.6
101.02429	12.9
103.03942	1.7
113.02448	7.3
115.00344	2.0
119.03495	2.9
125.02441	2.0
127.03993	3.7
129.01881	2.1
135.04547	1.9
141.01959	3.4
143.03471	2.7
161.04526	4.4
165.05521	1.7
167.03461	5.2
173.04518	7.3
175.02432	10.6
179.05577	19.6
191.05589	100.0
192.05911	4.1
206.95451	2.5
217.03513	2.2
221.06612	8.4
226.39560	1.8
256.45389	1.6
303.07211	8.2
311.09982	2.0
321.08246	2.2
323.09875	2.1
341.10944	2.7
503.16089	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95087	1.3
54.46244	1.8
58.62671	1.8
59.01371	18.6
69.03428	1.5
69.96004	4.6
69.96416	3.7
71.01382	19.8
72.99327	1.6
73.02940	3.4
75.00869	3.9
78.95898	23.7
80.91222	1.4
83.01392	1.9
85.02946	18.7
87.00866	19.1
89.02431	15.2
93.03449	4.5
95.01402	1.7
96.96004	15.5
96.96949	42.3
97.02946	6.0
98.20575	1.6
101.02429	12.9
103.03942	1.7
113.02448	7.3
115.00344	2.0
119.03495	2.9
125.02441	2.0
127.03993	3.7
129.01881	2.1
135.04547	1.9
141.01959	3.4
143.03471	2.7
161.04526	4.4
165.05521	1.7
167.03461	5.2
173.04518	7.3
175.02432	10.6
179.05577	19.6
191.05589	100.0
192.05911	4.1
206.95451	2.5
217.03513	2.2
221.06612	8.4
226.39560	1.8
256.45389	1.6
303.07211	8.2
311.09982	2.0
321.08246	2.2
323.09875	2.1
341.10944	2.7
503.16089	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1613
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
51.08326	0.7
57.03424	0.7
59.01376	11.1
62.09814	0.7
69.03439	1.2
69.88921	3.6
71.01375	10.6
72.99303	0.9
73.02965	3.4
75.00848	0.7
78.95915	1.7
83.01408	1.0
85.02943	12.4
87.00867	15.1
89.02441	11.0
93.03432	3.2
95.01379	1.5
96.95991	1.4
96.96951	2.7
97.02975	3.0
99.00897	1.0
101.02443	7.5
101.39385	0.6
103.03990	1.1
109.02922	1.3
110.17716	0.6
111.04488	0.8
113.02450	5.5
115.00361	1.8
119.03516	1.8
127.04007	2.3
131.03456	0.6
141.01863	0.6
143.03468	1.9
143.62752	0.7
149.04570	0.7
157.01395	1.1
159.02957	0.8
161.04514	3.3
171.02985	0.7
173.04556	1.2
175.02420	6.6
179.05603	10.5
184.70815	0.7
191.05588	100.0
192.05948	2.0
192.90256	0.6
217.03494	2.4
221.06569	5.7
303.07248	4.9
321.08203	2.4
323.09677	1.5
341.11002	1.3
381.08804	0.7
455.87146	0.7
503.16074	11.4
504.16470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
56.78491	0.5
57.03442	1.9
58.00587	1.9
59.01373	100.0
60.01709	0.8
69.03462	0.9
69.69719	3.0
71.01375	55.5
72.99304	2.1
73.02938	27.5
83.01382	8.8
85.02942	17.7
85.21110	0.5
87.00873	2.2
89.02435	38.7
92.99252	0.5
95.01371	6.3
97.02914	1.0
99.00903	2.4
101.02431	38.2
113.02436	35.8
119.03524	17.0
119.05009	42.5
120.05317	1.1
125.02422	1.1
131.03499	3.3
133.02904	0.8
135.04501	1.4
137.06064	3.1
143.03496	5.4
149.04515	4.5
155.03436	0.5
159.02885	0.9
161.02495	2.8
161.04533	13.6
168.06154	0.5
179.03482	1.3
179.05579	6.5
195.02963	0.5
203.05588	1.0
221.06525	1.3
281.10266	72.4
282.10553	4.3
299.11322	41.9
299.13937	0.6
299.14960	0.6
300.11615	2.1
329.64606	0.5
341.12347	41.9
342.12622	2.2
370.28287	0.5
442.06549	0.6
443.15350	1.5
461.16644	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1759
Annotation	Gonocaryoside E
Peak:m/z	Relative Intensity
55.01881	2.2
57.03437	1.9
58.00582	2.2
59.01372	100.0
69.03445	1.5
71.01374	65.1
71.52380	0.8
72.99303	2.4
73.02940	26.9
74.64102	0.6
83.01375	7.7
85.02943	18.2
87.00862	4.5
89.02432	41.3
95.01376	7.5
98.20386	0.6
99.00854	3.7
101.02435	42.0
104.24696	0.5
111.00855	0.7
113.02437	37.5
119.03528	19.5
119.05007	45.1
120.05334	1.3
125.02431	1.9
131.03500	4.0
131.04321	0.6
133.02975	3.7
135.04515	10.0
137.06085	3.2
143.03517	5.5
149.04520	3.4
161.02435	13.3
161.04526	12.0
179.03522	12.6
179.05635	6.9
179.07130	0.8
203.03598	0.8
203.05640	2.5
203.08369	1.1
221.06627	1.9
281.10260	65.5
282.10669	2.8
299.11325	41.2
300.11575	1.5
341.08743	2.7
341.12347	35.9
342.12741	2.8
443.15771	2.0
461.16592	6.6
503.17679	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	503.1765
Annotation	Isoconiferinoside
Peak:m/z	Relative Intensity
55.01873	3.1
57.03441	2.7
58.00599	2.8
59.01373	100.0
62.72429	0.5
65.79362	0.5
67.23659	0.5
69.03450	2.6
71.01375	68.6
72.01728	0.5
72.99306	2.2
73.02940	19.8
73.56011	0.5
81.03461	1.6
83.01374	11.5
85.02428	1.1
85.02943	22.8
87.00871	3.9
89.02435	41.5
95.01373	7.5
96.95987	0.9
97.02950	4.1
99.00862	5.0
101.02432	48.6
107.01311	0.8
111.00859	1.0
113.02435	52.3
114.02769	1.0
115.04056	0.6
119.03521	16.3
119.05003	28.9
125.02433	9.5
131.03482	2.8
137.06061	4.3
143.03476	7.4
146.11656	0.6
149.04552	2.9
155.03491	7.4
159.02998	0.7
161.04532	12.3
179.05571	7.2
203.05579	12.4
221.06631	0.6
273.05051	0.5
275.11047	0.5
281.10291	21.5
299.11298	13.1
341.12369	24.5
342.12759	0.8
345.50504	0.5
346.07614	0.6
395.13788	0.8
424.30719	0.5
443.15488	6.8
458.49780	0.6
461.16577	73.4
462.16959	5.5
503.17630	51.5
504.17923	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	503.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30195	0.3
55.25009	0.3
58.39278	0.3
59.01372	4.0
59.21037	0.4
60.76972	0.4
71.01376	3.6
71.60630	0.3
71.61018	0.4
72.00897	6.2
73.02927	0.9
74.02464	7.5
83.01362	0.4
85.02946	0.7
87.00899	0.3
89.02438	2.7
96.95984	0.7
101.02427	2.1
107.38347	0.4
113.02450	2.3
116.05052	31.6
117.05390	0.7
117.89740	0.3
119.03498	0.8
119.05011	0.9
123.08903	0.4
123.33604	0.3
130.06561	1.0
131.03464	0.4
133.02942	5.5
135.04512	7.5
142.06612	8.0
143.03484	0.5
159.09256	6.4
161.02422	22.1
162.02696	0.4
179.03484	11.1
179.05261	0.6
179.05568	0.8
180.03822	0.8
186.05559	1.5
187.05997	0.5
203.08234	100.0
204.08580	3.7
229.07170	0.5
281.10245	1.3
299.11362	0.9
304.62259	0.4
341.08749	0.7
341.12366	0.7
461.16772	1.4
503.13452	5.3
504.14435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
57.03421	3.4
59.01372	100.0
59.23885	1.5
61.98813	4.8
68.99817	2.7
69.03449	3.4
69.64092	1.5
69.65134	3.5
69.65549	5.7
71.01376	41.3
71.04977	2.2
72.99301	2.0
73.02939	51.9
82.52898	1.6
83.01376	15.3
85.02956	11.2
87.00897	2.4
88.70176	1.5
88.98771	2.3
89.02440	11.5
95.01366	3.1
96.95975	11.7
97.02913	1.9
99.00851	3.6
101.02428	46.4
113.02438	15.4
115.95313	1.4
119.03480	2.3
123.04521	1.9
125.02428	3.1
131.03447	3.4
133.02921	9.2
135.04527	9.4
137.06133	2.0
137.09668	4.0
145.02954	2.1
149.04521	3.0
161.02432	29.3
161.04478	10.3
163.03923	1.9
164.07100	3.8
179.03479	8.1
179.10771	16.5
182.08170	3.5
203.10808	1.8
209.15387	3.7
221.11800	13.7
227.06689	3.2
263.12756	1.7
280.11856	2.7
311.09506	10.0
311.59247	1.8
315.54187	1.5
371.20837	8.4
388.10562	2.6
399.56741	1.7
503.15381	2.3
503.25089	11.6
504.19098	2.0
515.04700	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
55.07298	0.4
57.03456	2.6
58.00581	0.8
59.01373	100.0
60.01694	0.5
60.99281	0.7
61.98824	11.2
67.01890	1.6
69.03455	1.2
69.38461	2.1
69.38888	1.5
71.01375	47.9
71.05017	0.6
72.71986	0.4
72.99308	2.6
73.02942	15.4
74.76031	0.5
75.00880	1.0
81.03461	0.6
83.01378	5.6
83.05038	0.6
85.02942	22.8
86.00098	0.5
87.00861	3.6
87.04510	0.8
89.02434	11.9
89.60965	0.5
93.03448	11.1
95.01379	3.7
97.02934	2.2
98.19881	0.7
99.00868	7.6
99.04485	1.1
101.02434	29.2
103.04010	2.1
109.02929	1.0
111.00859	1.7
111.04489	1.9
113.02435	18.9
115.04046	1.0
116.72166	0.4
117.00587	0.6
119.03500	3.4
119.04973	0.5
125.02455	2.3
127.04003	0.8
129.01930	0.9
131.03456	1.9
133.02885	1.0
137.02400	2.2
139.11264	0.5
143.03513	4.0
145.04999	0.7
149.04559	0.6
155.03532	2.3
159.02985	3.7
161.02368	1.1
161.04536	18.7
163.06076	1.1
171.10243	1.7
173.04520	37.5
174.04805	1.4
179.03375	0.7
183.10178	0.4
184.18953	0.5
205.03487	0.6
205.07047	1.4
211.13359	2.3
229.14305	1.7
297.16858	2.0
303.49139	0.5
315.18066	24.0
315.55984	0.5
316.18268	0.9
329.23334	8.2
330.23590	0.6
357.18936	1.7
371.20633	4.0
407.21085	0.6
429.52692	0.5
443.22797	0.6
461.23856	84.9
462.24112	6.6
503.24042	20.8
504.24680	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	503.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30536	1.1
52.50574	1.2
59.01372	100.0
69.03433	1.8
69.49788	3.9
69.50209	4.8
71.01376	12.3
71.39082	1.1
73.02909	2.3
85.02943	6.2
89.02435	3.9
98.19952	1.9
99.00888	1.9
101.02424	5.7
113.02425	7.1
118.49669	1.4
135.04521	1.6
137.09740	2.3
138.05547	1.2
143.03445	1.3
161.02377	4.0
161.04526	4.7
164.07127	5.0
182.08228	2.5
280.11868	3.8
311.09393	2.0
371.20767	2.0
399.23752	18.3
417.24939	6.9
459.25815	2.7
503.24716	1.6
503.33551	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	503.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30536	1.1
52.50574	1.2
59.01372	100.0
69.03433	1.8
69.49788	3.9
69.50209	4.8
71.01376	12.3
71.39082	1.1
73.02909	2.3
85.02943	6.2
89.02435	3.9
98.19952	1.9
99.00888	1.9
101.02424	5.7
113.02425	7.1
118.49669	1.4
135.04521	1.6
137.09740	2.3
138.05547	1.2
143.03445	1.3
161.02377	4.0
161.04526	4.7
164.07127	5.0
182.08228	2.5
280.11868	3.8
311.09393	2.0
371.20767	2.0
399.23752	18.3
417.24939	6.9
459.25815	2.7
503.24716	1.6
503.33551	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	503.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
57.03445	1.2
58.78999	0.6
59.01373	100.0
60.01696	0.7
61.98826	0.9
62.05359	0.6
68.99831	0.9
69.28870	6.3
71.01374	13.8
73.02943	3.6
83.01389	1.4
85.02942	6.8
87.00880	0.9
87.04514	0.9
89.02438	3.9
95.01390	1.7
98.19810	1.2
99.00887	1.8
101.02423	8.3
113.02438	9.2
119.03519	0.9
121.02965	1.0
133.02959	1.5
135.04539	2.1
137.09743	2.0
138.05542	0.7
149.02444	0.7
149.04527	0.9
159.03078	0.8
161.02475	3.3
161.04533	5.3
164.07185	4.4
179.03513	1.9
182.08211	4.8
209.15498	1.4
228.30775	0.7
279.81873	0.8
280.11865	3.9
310.08542	0.8
311.09570	2.3
371.20883	3.1
387.17105	0.8
388.10468	0.9
399.23831	18.6
400.24167	1.5
417.24899	6.2
459.26160	2.2
503.25082	3.5
503.33664	1.4
504.18628	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	503.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03074	0.2
55.01867	0.8
57.03445	0.7
58.00579	0.3
59.01371	100.0
60.01704	0.6
61.26001	0.2
61.98828	0.2
67.49381	0.2
69.66637	1.2
71.01371	11.2
71.05022	0.6
72.01734	0.2
72.99305	0.5
73.02940	2.9
73.35197	0.2
83.01372	1.7
84.02165	0.3
85.02938	5.7
87.00873	0.8
89.02430	3.5
95.01399	0.9
97.02901	0.4
99.00867	1.1
99.08121	0.3
101.02425	7.1
101.03079	0.4
104.88798	0.2
111.00903	0.4
111.08110	0.2
113.02430	8.6
114.02882	0.2
118.26484	0.2
119.03485	1.2
122.02394	0.2
125.02384	0.3
129.09187	1.6
129.65318	0.2
143.03499	1.3
159.02982	0.8
161.04544	3.1
183.02699	0.2
213.10939	0.2
229.01401	0.2
257.55606	0.2
273.13449	0.7
281.24850	0.2
291.14398	0.2
299.25946	1.3
353.35098	0.2
409.31067	0.8
421.31146	0.3
423.32596	0.3
425.29260	0.3
441.33521	2.0
443.30075	7.7
444.30475	0.5
453.30072	0.5
461.31149	13.0
462.31592	1.0
473.32901	0.3
485.32571	0.9
491.74118	0.2
503.33701	7.2
504.34225	0.7
513.60034	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03441	0.6
58.00594	1.1
59.01372	100.0
60.01715	0.8
61.83729	0.3
61.98822	6.7
69.03431	0.3
71.01373	22.8
71.61945	0.3
72.01743	0.3
72.99303	1.4
73.02940	6.2
83.01388	2.0
85.02941	5.9
86.56605	0.3
87.00848	1.4
89.02434	18.0
95.01370	2.4
97.02876	0.3
99.00892	0.8
101.02432	12.5
104.89224	0.3
113.02434	18.3
119.03486	6.5
125.02434	0.7
130.08698	0.3
131.03497	1.2
143.03479	2.5
149.04539	0.8
161.02435	0.4
161.04506	3.6
179.03421	0.3
179.04187	0.3
179.05562	2.8
245.40967	0.3
293.31918	0.3
306.72668	0.3
323.25723	0.3
441.33740	0.5
443.30032	4.3
459.34882	0.4
461.31186	4.1
485.32599	2.5
503.33688	20.0
504.34079	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	503.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44098	0.3
57.03424	0.4
59.01369	3.5
69.31939	1.0
69.32361	1.5
71.01356	0.6
71.05012	0.6
73.02926	0.6
75.59935	0.3
77.46889	0.3
84.91109	0.3
85.02896	0.3
101.02418	0.3
110.93872	0.3
111.04429	0.3
113.02412	0.4
234.89861	0.3
363.26929	1.6
377.28668	0.6
379.29910	2.7
387.26645	0.4
389.24402	0.3
391.30157	2.0
393.27295	0.4
393.31665	0.9
401.28342	1.0
403.30020	0.6
407.29642	0.6
409.31085	14.9
410.31485	1.3
417.27927	0.4
419.29541	0.7
421.31085	4.7
422.31635	0.3
423.28607	0.6
425.30353	0.6
427.31570	0.3
435.28815	0.6
439.32010	1.8
441.33728	7.3
442.33792	0.5
443.30188	0.5
453.30057	6.2
454.30429	0.8
457.33319	3.6
458.33432	0.5
473.32550	3.0
485.32574	3.8
503.33710	100.0
504.34045	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	503.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91388	0.2
54.71265	0.2
57.03419	0.4
59.01363	1.0
59.20721	0.3
60.66680	0.2
67.87324	0.3
71.01347	0.4
71.05009	0.7
71.53793	0.3
71.54139	0.5
90.94888	0.3
109.06564	0.4
393.31668	0.5
401.27164	0.8
419.29169	0.4
421.31165	1.1
439.32129	0.7
441.33612	1.0
443.31540	1.8
459.34875	1.2
471.31412	0.4
485.32678	15.8
486.33093	1.6
503.33752	100.0
504.34091	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	503.3373
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
59.01369	6.1
61.98824	0.6
62.45884	0.5
70.03420	1.0
70.03820	1.1
71.01341	0.7
71.05024	0.8
73.02907	0.6
99.42293	0.4
101.06052	0.9
105.18501	0.4
139.48650	0.5
169.47699	0.5
169.92366	0.5
189.56027	0.4
220.05719	0.5
250.40213	0.4
307.24249	1.7
315.41324	0.4
315.45041	0.4
379.29974	0.7
404.26614	0.7
409.31232	0.6
419.29584	4.3
421.31140	2.2
423.32660	0.8
425.30606	2.0
439.32104	5.3
441.33514	1.7
442.34271	0.5
443.31848	0.9
459.35114	2.3
462.59052	0.5
469.33154	0.8
485.32651	100.0
486.32999	9.5
503.33926	23.3
504.34341	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	503.3372
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
52.42286	0.3
57.04569	0.3
58.00574	0.7
59.01376	3.2
61.98824	0.3
67.25385	0.2
71.01369	0.8
71.05011	0.5
71.61729	0.3
72.99291	0.5
101.06064	1.9
104.81152	0.2
109.06532	0.3
200.13524	0.3
217.61632	0.3
293.22693	1.6
307.24268	2.4
323.23776	0.3
403.26303	0.9
404.26904	0.6
407.29251	0.3
419.29483	2.5
421.31128	1.5
423.29156	0.3
425.30554	0.3
431.31757	0.3
436.26227	0.6
439.32098	2.3
441.33908	0.3
455.28082	0.5
459.30682	0.3
473.32388	0.6
483.30988	1.4
485.32651	100.0
486.33017	9.6
503.33868	17.5
504.34259	1.7
529.31604	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	503.3373
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
58.00464	0.7
58.00700	0.8
59.01192	2.8
59.01532	3.3
59.34441	0.5
59.62505	0.5
63.96369	0.5
71.38548	0.7
75.25556	0.6
85.02775	0.6
86.13535	0.6
97.06363	1.1
97.06930	0.6
107.63505	0.5
169.07112	0.6
180.68338	0.6
224.34198	0.6
235.16652	0.7
349.91995	0.7
389.28479	3.4
395.29077	0.7
406.28561	3.7
407.29498	1.4
411.32532	0.6
413.30457	1.9
421.30997	3.7
423.32660	10.6
425.30246	1.7
429.33606	0.9
439.27844	0.8
441.34058	3.1
443.31363	1.6
455.31683	1.2
457.33255	0.9
459.34833	4.3
461.32312	2.7
467.31863	1.2
469.33142	100.0
470.33368	8.8
473.32538	3.3
485.32791	5.7
488.17587	0.6
503.33749	47.7
504.34119	4.7
513.31830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.99281	1.4
61.98825	3.9
71.01383	5.0
71.61990	1.5
73.02938	1.3
83.17899	1.1
85.02951	2.7
87.00889	2.0
87.06396	1.2
88.00391	2.5
88.98786	5.2
89.02427	2.6
93.03448	3.3
97.03018	1.2
101.02428	1.9
108.02282	1.6
113.02435	1.5
117.03458	3.5
117.95140	1.2
118.06605	3.4
119.05013	2.9
120.04598	1.5
121.02979	3.0
123.04512	13.2
132.04526	3.0
133.02950	2.0
134.03726	3.8
135.04541	7.4
136.07591	1.3
137.02429	1.5
137.05962	1.1
144.04520	2.0
145.05302	2.2
146.06094	6.2
148.04034	1.3
148.07631	1.8
149.05994	1.3
150.03210	1.5
150.05533	5.6
151.03984	2.2
152.07137	6.8
153.05588	19.2
155.10823	1.9
158.06084	3.6
159.03220	1.6
160.04008	11.9
160.07675	10.0
161.02429	7.2
161.06018	1.7
162.01930	1.4
162.05585	4.5
164.04765	15.4
165.05151	10.7
170.06094	1.5
173.04694	2.6
174.01981	1.4
174.05698	1.7
175.03944	2.6
176.03465	4.3
176.07149	8.4
178.08720	4.6
179.03506	2.5
179.07124	17.1
180.07492	9.3
180.86018	1.1
181.05057	5.0
188.03490	3.9
188.07162	25.6
189.04202	2.1
190.01318	1.7
190.05054	5.1
190.08696	3.9
191.05612	1.7
192.06645	6.2
193.05051	5.8
195.06593	3.3
202.05099	3.1
202.08768	3.7
204.02968	15.6
206.04567	2.0
206.08209	2.8
217.03732	3.5
218.04558	5.4
218.08174	2.2
219.05356	2.9
220.06244	1.6
220.09740	20.4
222.07712	7.8
232.06143	22.7
234.07690	12.0
246.07700	15.5
264.08743	25.5
280.11499	1.3
313.10812	4.2
324.10901	4.9
325.10828	3.0
341.12311	1.5
342.12677	4.6
343.11743	2.2
345.15527	2.2
356.15024	2.1
358.12799	2.3
370.12781	2.7
400.13980	39.2
401.14310	4.1
418.15048	8.8
460.15848	3.3
504.17715	3.3
505.13467	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	504.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31985	0.6
59.01368	2.1
61.98818	3.5
71.01372	1.5
74.93052	0.6
83.69788	0.6
83.86106	0.8
87.01755	0.6
89.02449	0.7
95.24975	0.7
108.46230	0.7
109.63180	0.8
113.02446	0.9
116.05053	2.9
116.11874	0.7
118.06648	3.5
135.04501	1.1
135.30235	0.7
135.90707	0.7
144.04533	16.4
144.05565	1.4
146.06041	1.6
148.07721	1.1
150.05617	1.0
156.08070	0.9
158.06071	1.0
160.04044	0.8
161.02377	1.8
164.07170	0.7
168.04541	1.5
174.03226	2.2
174.05513	1.0
176.07158	15.8
176.08694	1.1
179.03510	2.1
182.06081	2.3
184.07645	14.3
188.03528	21.0
189.03859	1.1
190.05060	1.2
192.06702	1.4
201.04279	4.8
202.05022	2.4
203.05820	1.4
204.02840	0.9
204.04584	0.8
204.06741	1.3
216.06648	1.6
216.10204	2.0
220.06116	100.0
221.06502	3.7
228.06638	18.5
232.08032	1.7
234.07671	3.9
249.04671	3.5
249.76215	0.8
260.09250	16.1
263.85632	0.8
264.10764	1.1
276.06940	13.9
277.07480	1.2
292.06955	1.0
292.11902	14.7
293.12085	1.3
304.08017	1.2
308.09607	9.8
311.09576	0.8
340.12161	49.8
341.12552	3.1
372.14474	7.1
373.22195	1.6
412.17447	3.6
460.18076	1.4
504.16794	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	504.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01707	0.7
65.68583	0.4
67.01869	0.5
68.99792	0.5
69.03436	0.6
69.55744	2.5
69.56148	0.8
71.01387	0.6
81.03475	0.8
85.02963	0.6
88.04031	8.7
89.02428	0.7
93.03410	0.7
97.68703	0.4
100.04007	0.6
101.02442	1.2
106.04239	1.1
107.05008	1.2
108.04494	0.6
109.02961	0.7
111.00886	0.5
111.19476	0.5
119.05033	3.2
123.04558	0.5
135.04520	2.0
137.06065	31.4
138.05515	0.8
138.06468	0.7
144.04573	0.7
144.08159	1.2
144.21204	0.4
146.06091	1.0
147.04480	1.6
148.03951	0.6
149.06085	0.6
151.04007	0.5
157.05229	0.5
160.04022	1.1
160.07623	0.7
161.02414	1.3
161.04773	0.7
162.05621	0.7
162.09221	1.9
163.07608	1.1
164.07179	0.6
170.06052	0.7
171.06879	1.4
172.07640	4.6
173.04761	0.4
174.05537	1.4
175.06342	0.6
176.07124	1.8
177.05550	0.7
177.09169	1.0
178.05037	1.0
178.08684	1.0
179.03543	0.9
179.07117	1.2
185.53450	0.5
188.07108	3.2
188.10857	0.6
189.07919	1.9
190.08699	5.8
192.10434	0.5
198.05566	0.9
202.08748	0.7
204.10271	7.8
205.10651	0.5
206.08177	0.9
211.13330	0.7
215.05753	0.7
216.06618	3.3
218.08208	0.6
220.06108	0.7
220.09729	1.2
222.11273	4.2
230.08176	12.3
232.09834	0.8
234.07613	1.3
236.12886	1.6
246.11163	0.5
247.08469	1.3
248.09261	10.3
249.09563	0.8
250.10786	0.6
262.10825	3.6
264.12354	1.5
266.10284	8.2
280.11880	7.5
290.10318	4.4
295.08182	0.6
296.14902	0.9
308.11328	4.4
316.11099	0.7
322.12894	22.0
323.13034	1.2
336.12234	0.7
340.14008	4.6
341.10220	1.4
341.14273	0.5
347.38931	0.5
354.13287	1.0
368.14951	1.7
386.16046	7.2
388.10706	0.6
391.08350	0.6
400.17505	0.8
428.17154	0.7
460.24484	1.0
504.18665	26.9
505.19095	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	504.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92883	0.2
55.01870	0.2
55.08874	0.2
57.03438	0.3
58.00597	0.3
59.01371	100.0
60.01702	1.1
61.98818	0.8
68.99791	0.5
69.03436	0.4
69.40186	0.2
71.01375	9.3
71.05012	14.9
72.05341	1.5
72.05675	0.2
72.99310	0.6
73.02946	0.8
81.03463	0.4
83.01393	0.6
85.02930	1.9
87.00861	0.5
88.04043	1.0
89.02436	5.3
93.03461	1.0
95.01392	0.8
95.05038	0.3
98.19814	0.3
101.02431	4.5
106.04247	1.1
107.05025	0.7
111.00916	0.3
111.04520	0.2
113.02430	3.0
116.92884	0.4
118.92693	0.3
119.03516	2.1
119.05007	6.0
121.02988	0.2
131.03461	0.3
133.02942	0.5
133.10229	0.8
135.04509	1.0
135.11797	2.4
136.04846	0.3
137.06064	28.7
138.06412	0.8
143.03474	0.5
149.09785	0.2
152.03462	0.3
155.10788	0.6
159.08147	0.4
160.04019	0.2
161.02409	2.0
161.04601	1.3
161.09711	2.8
162.05614	0.7
164.07045	0.3
164.33276	0.2
173.04501	3.4
174.04906	0.8
176.07133	0.8
178.05051	0.7
179.03596	0.7
179.05577	0.8
179.07144	3.7
179.10738	11.5
188.03456	0.4
191.05589	0.4
193.12350	1.1
203.10771	0.7
205.03795	0.5
205.15907	1.3
206.04521	0.8
206.16327	0.5
209.04562	0.3
220.06210	1.2
221.11800	0.9
280.08246	0.3
281.10208	1.3
299.11313	7.1
311.09769	0.3
324.14606	0.3
326.10144	1.5
329.23322	0.9
330.23654	1.0
340.11563	0.3
351.26862	2.6
352.27228	2.4
367.26224	0.6
368.26767	0.4
369.27850	4.2
370.28204	4.6
373.22263	0.8
389.26917	3.9
390.27213	3.7
400.14108	0.7
401.26950	2.5
402.27161	2.1
413.26877	1.9
414.27359	1.6
423.32779	0.3
424.32874	0.3
461.21484	0.6
468.31741	0.4
486.33124	0.3
503.33713	22.5
504.18805	2.8
504.34122	34.3
505.20386	3.0
505.26718	0.4
505.33459	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	504.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98827	13.0
69.03416	0.8
69.70492	4.3
69.70884	1.8
71.01373	8.9
73.02926	3.2
82.02956	1.7
84.04530	3.8
85.02958	5.0
87.00893	0.9
89.02431	9.1
93.03444	2.7
94.02945	1.7
96.95984	1.2
98.19938	1.3
99.00884	1.6
100.04023	1.3
101.02421	6.7
102.05598	49.8
103.05948	0.9
104.03516	2.4
106.06588	2.4
108.04520	1.1
110.68774	0.9
111.00008	0.8
111.00797	0.8
113.02433	2.1
118.06596	2.9
119.05032	1.8
120.04526	2.1
121.01634	0.9
121.02905	1.0
122.02470	32.5
123.04461	1.4
124.04038	2.6
125.02404	0.9
125.05949	0.9
131.03526	2.8
132.04486	0.9
133.02931	1.3
133.05318	1.2
134.06062	2.4
135.04480	2.7
136.04004	1.4
137.02422	1.3
137.06055	8.6
138.05571	2.0
146.06099	5.9
149.04529	5.8
149.05981	1.7
152.03532	1.1
152.07138	1.4
160.07666	1.2
161.02396	2.9
161.04764	1.9
162.05608	12.0
162.09183	1.0
164.03320	1.1
164.07133	11.7
165.05539	1.5
166.05070	4.2
173.04607	1.0
176.07172	5.9
177.05501	3.5
178.05074	24.7
178.08578	4.2
179.03474	2.6
179.05673	1.5
179.07074	5.2
180.03000	2.3
186.09215	1.9
188.03453	2.0
188.07123	2.3
191.05579	1.7
191.14412	1.2
192.06595	1.3
192.14700	1.0
194.08150	3.9
202.08705	1.4
204.10277	2.6
206.04544	8.3
206.08141	1.1
208.06181	5.2
218.08109	1.3
220.06091	4.4
220.09784	3.3
221.04480	3.4
222.07661	9.4
230.08041	1.3
238.10748	1.3
248.09293	1.5
257.07825	1.5
262.10846	1.2
264.08688	5.4
280.11765	1.3
281.06528	3.4
291.06497	5.9
292.06555	4.5
294.09729	3.9
306.09778	1.7
324.10730	9.2
326.10208	6.5
329.23264	1.0
341.10114	1.7
372.20892	2.0
373.22131	1.7
384.13022	6.9
401.12222	4.3
402.15475	2.0
404.63101	0.8
412.13745	2.7
444.16562	9.7
462.17725	1.0
503.67142	1.6
504.18665	39.2
504.25208	1.3
505.19061	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	504.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94598	0.3
51.37223	0.4
58.00601	0.4
59.01371	25.8
60.01696	0.4
61.98821	100.0
69.31750	1.7
69.32188	1.3
71.01373	2.7
73.02943	0.8
77.40681	0.3
83.01355	0.5
85.02946	0.9
89.02455	1.0
96.95999	0.5
99.00887	0.3
101.02429	2.3
113.02448	1.5
114.47408	0.3
125.71577	0.3
128.86552	0.3
131.27272	0.3
135.04533	0.6
137.39027	0.3
137.82538	0.4
161.02446	0.5
161.04526	1.1
355.21378	1.0
462.31711	0.3
485.32840	0.6
486.32883	0.6
503.33621	4.9
504.33896	6.7
505.34872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85897	1.6
59.01374	78.1
60.01714	2.7
61.98815	3.2
67.01877	3.2
68.99807	2.4
69.03458	1.8
71.01378	6.5
71.62445	2.1
75.00874	1.9
85.02970	2.5
93.03441	4.5
101.02430	1.9
111.00869	6.5
111.04533	2.5
113.02430	1.8
118.66300	2.1
119.05025	6.4
121.02924	2.1
122.02470	2.5
124.04034	5.9
127.04018	3.9
128.04315	1.8
130.08727	4.6
132.04584	1.7
133.02887	1.7
135.04507	2.6
136.01706	1.6
137.02339	1.9
137.06067	26.3
139.00383	4.2
146.02411	2.1
148.04082	2.8
150.05566	5.6
151.03990	49.0
152.03487	3.8
153.05531	2.1
160.04126	2.4
160.11412	2.3
161.04826	1.8
162.05609	1.8
164.03523	3.1
164.07152	4.5
165.04297	3.1
165.05592	4.8
169.05075	1.8
173.04753	2.6
176.07156	5.0
176.10777	3.0
178.05087	22.1
179.07095	11.2
180.02959	13.6
180.10342	9.9
188.10826	4.0
190.08725	6.6
191.05865	2.9
192.06622	11.0
202.12325	3.8
204.10294	2.2
204.13937	4.3
206.11856	3.0
214.12434	2.3
216.10274	6.9
218.11853	1.7
220.09778	9.4
220.13365	2.1
230.11838	6.4
232.13452	10.8
234.11322	6.9
234.14964	7.2
235.12155	3.2
246.11203	1.7
246.14784	3.8
248.12926	26.7
250.14462	3.8
258.11420	3.1
258.46835	1.6
260.12964	2.4
264.15994	10.0
268.15594	1.9
276.12637	2.1
279.11133	12.7
280.15509	11.6
290.13950	25.1
291.74451	1.5
294.13440	100.0
295.13736	3.2
306.06897	2.6
308.15039	15.0
322.16660	2.9
324.14487	20.1
337.09183	2.6
338.09543	4.7
340.17606	14.6
374.26767	1.8
383.51807	1.9
428.20779	4.1
439.36838	1.6
451.17871	1.6
504.22513	40.5
504.33481	5.7
505.22421	2.2
505.33713	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24743	0.3
55.16383	0.3
58.52770	0.3
61.98823	100.0
65.56316	0.3
70.89379	0.4
70.89729	0.8
80.73312	0.3
90.47759	0.3
118.07833	0.3
152.70168	0.3
196.63345	0.4
259.69727	0.3
347.65652	0.3
355.77493	0.3
423.64651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78989	0.3
59.01369	1.0
61.56474	0.3
61.98821	100.0
71.01367	0.5
71.62418	0.8
112.98829	0.3
158.58801	0.4
172.10178	0.4
219.31763	0.4
255.23251	1.0
256.35333	0.3
262.19147	0.4
505.30185	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
59.09814	0.4
60.01770	0.4
61.98823	100.0
63.20455	0.4
64.69332	0.4
66.43238	0.4
70.83252	0.3
71.01379	0.4
71.54226	0.7
72.77750	0.5
75.00850	0.5
84.72240	0.4
88.13452	0.4
91.43811	0.4
96.19124	0.4
100.73695	0.4
113.02409	0.5
138.37929	0.4
180.41495	0.4
188.12221	0.4
255.23343	1.0
279.23755	0.4
280.23602	0.8
460.31479	0.5
505.30173	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.2
60.51609	0.9
61.98822	100.0
67.33027	1.1
71.61229	1.5
78.95903	4.1
89.40967	0.9
95.87496	1.0
102.31243	1.2
125.43445	1.0
134.13525	0.9
149.23367	1.1
149.92192	0.9
152.89494	0.9
152.99561	2.8
215.93283	0.9
252.26955	0.9
255.23097	1.9
277.21655	1.1
279.23312	5.7
307.26355	1.3
361.13089	0.9
394.70621	1.0
504.27664	1.1
505.30078	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38655	0.2
59.01371	0.4
61.98824	100.0
70.99841	0.4
81.99655	0.2
109.53189	0.2
118.05855	0.2
142.09337	0.2
277.21875	0.3
380.40219	0.2
504.33533	0.3
514.06879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.0
61.98822	0.8
69.48122	2.0
76.05216	0.3
77.04007	0.4
78.25679	0.3
90.74469	0.3
93.03507	0.4
98.20499	0.9
121.02943	100.0
122.03256	2.1
157.38051	0.3
162.07005	0.3
163.04233	0.3
180.05803	0.5
181.06555	3.1
182.06752	0.4
197.06068	2.6
207.04514	1.4
225.05533	2.4
251.06847	0.4
257.09521	0.7
301.08505	0.6
313.07150	5.2
357.06085	1.3
363.03970	0.3
383.07333	1.6
399.62964	0.3
417.09756	9.6
418.09946	0.8
433.09271	0.5
461.12637	0.3
465.57510	0.3
476.34244	0.3
477.08435	0.3
504.33197	1.7
505.03699	0.6
505.11337	11.3
505.36002	3.3
506.11575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04999	0.3
59.01378	1.6
61.98816	0.5
64.71893	0.3
69.81213	0.4
69.81483	1.5
71.01382	1.7
73.02942	0.3
75.00845	0.6
78.95895	7.8
79.95731	3.1
85.02929	0.7
86.64853	0.3
89.02430	1.3
91.76315	0.3
96.87172	0.3
96.96000	100.0
96.96910	11.8
98.19946	0.4
101.02434	0.8
109.02927	1.5
109.06593	0.3
113.02438	0.9
119.03500	0.4
121.02988	0.3
123.04545	0.3
133.02930	0.4
135.04486	0.8
151.03993	0.8
151.07593	0.5
161.02420	1.1
179.03491	1.2
195.06630	0.4
213.35065	0.3
253.07159	1.0
255.10236	1.1
307.69177	0.3
313.12811	0.8
343.10501	0.6
357.11893	0.7
377.14679	0.5
389.14661	1.0
407.15530	1.5
415.12439	0.3
475.11331	1.1
505.15524	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	505.135
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
59.01376	5.1
61.98820	0.8
66.87407	0.4
69.30784	4.0
71.01373	3.6
72.99300	3.9
73.02944	0.5
81.03447	0.8
85.02953	2.1
87.00878	0.8
89.02447	2.3
93.03445	5.2
96.96020	0.5
99.00891	0.5
100.55862	0.4
101.02451	1.9
105.03448	0.5
107.05013	1.4
108.02231	0.5
109.02923	1.2
111.00877	0.4
111.02000	0.6
112.05766	0.4
113.02458	1.5
115.03960	0.5
117.03447	1.5
119.05012	10.3
121.02969	2.0
123.04522	0.8
132.02190	1.5
133.02940	29.5
133.10217	1.1
134.03694	1.6
135.04510	22.5
136.01659	0.7
137.02431	1.2
139.03891	0.5
145.02954	2.1
149.02251	0.6
149.06044	0.8
151.00385	0.7
151.03970	1.4
153.01941	3.1
155.10789	0.6
161.02428	100.0
162.02707	2.8
163.03983	13.1
175.04002	0.7
177.01962	0.7
177.05524	1.9
177.09233	3.9
179.03479	7.4
181.05042	35.6
182.05408	0.9
189.05580	0.5
191.05644	0.5
193.05087	0.6
203.03532	0.8
221.04514	2.2
307.08069	0.7
313.10825	0.6
323.07761	4.3
325.10464	0.6
343.10291	9.0
405.09253	1.6
482.15234	0.5
487.12634	0.6
505.13391	87.8
506.13715	6.6
530.92059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56267	1.0
57.03436	1.1
57.37465	0.8
58.59940	1.0
59.01373	6.7
61.98815	1.0
71.01380	10.9
71.62362	1.6
72.99312	6.0
73.02946	3.0
83.01392	1.7
83.30850	0.9
85.02939	4.5
87.00917	0.8
89.02423	6.4
90.10080	0.8
93.03465	1.4
99.00872	2.5
101.02435	6.0
108.02145	4.5
109.02920	3.1
113.02446	3.3
117.03455	1.6
119.05031	1.7
121.02974	2.7
122.03722	21.9
123.04527	14.4
131.03493	1.7
132.02155	21.1
133.02942	6.7
134.03726	19.5
135.04523	9.8
136.01643	24.5
137.02429	15.1
145.02905	2.4
148.05310	1.1
149.02513	1.6
149.04535	3.3
149.06073	3.5
150.05692	1.4
151.03992	33.0
159.04466	1.2
160.01640	88.5
161.02422	23.9
161.04492	1.9
163.03981	1.8
165.05542	1.0
166.05173	1.0
167.03455	1.9
173.04605	1.2
175.03981	100.0
176.04398	2.5
177.05577	1.8
179.03520	6.2
181.05148	2.0
191.07085	1.4
193.05034	11.4
197.04504	6.3
220.09781	3.8
221.04599	1.7
251.05524	1.4
255.02927	1.2
282.09790	1.0
297.63232	0.9
299.09097	2.5
300.02621	1.2
323.07675	3.8
337.09256	17.9
343.11816	49.9
344.12152	3.1
359.09830	6.0
376.45569	1.0
435.22342	1.0
461.14484	96.2
462.14844	7.1
473.10825	1.7
505.13199	20.8
505.20209	1.6
505.26328	1.8
506.14468	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	505.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56267	1.0
57.03436	1.1
57.37465	0.8
58.59940	1.0
59.01373	6.7
61.98815	1.0
71.01380	10.9
71.62362	1.6
72.99312	6.0
73.02946	3.0
83.01392	1.7
83.30850	0.9
85.02939	4.5
87.00917	0.8
89.02423	6.4
90.10080	0.8
93.03465	1.4
99.00872	2.5
101.02435	6.0
108.02145	4.5
109.02920	3.1
113.02446	3.3
117.03455	1.6
119.05031	1.7
121.02974	2.7
122.03722	21.9
123.04527	14.4
131.03493	1.7
132.02155	21.1
133.02942	6.7
134.03726	19.5
135.04523	9.8
136.01643	24.5
137.02429	15.1
145.02905	2.4
148.05310	1.1
149.02513	1.6
149.04535	3.3
149.06073	3.5
150.05692	1.4
151.03992	33.0
159.04466	1.2
160.01640	88.5
161.02422	23.9
161.04492	1.9
163.03981	1.8
165.05542	1.0
166.05173	1.0
167.03455	1.9
173.04605	1.2
175.03981	100.0
176.04398	2.5
177.05577	1.8
179.03520	6.2
181.05148	2.0
191.07085	1.4
193.05034	11.4
197.04504	6.3
220.09781	3.8
221.04599	1.7
251.05524	1.4
255.02927	1.2
282.09790	1.0
297.63232	0.9
299.09097	2.5
300.02621	1.2
323.07675	3.8
337.09256	17.9
343.11816	49.9
344.12152	3.1
359.09830	6.0
376.45569	1.0
435.22342	1.0
461.14484	96.2
462.14844	7.1
473.10825	1.7
505.13199	20.8
505.20209	1.6
505.26328	1.8
506.14468	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	505.1351
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
56.56267	1.0
57.03436	1.1
57.37465	0.8
58.59940	1.0
59.01373	6.7
61.98815	1.0
71.01380	10.9
71.62362	1.6
72.99312	6.0
73.02946	3.0
83.01392	1.7
83.30850	0.9
85.02939	4.5
87.00917	0.8
89.02423	6.4
90.10080	0.8
93.03465	1.4
99.00872	2.5
101.02435	6.0
108.02145	4.5
109.02920	3.1
113.02446	3.3
117.03455	1.6
119.05031	1.7
121.02974	2.7
122.03722	21.9
123.04527	14.4
131.03493	1.7
132.02155	21.1
133.02942	6.7
134.03726	19.5
135.04523	9.8
136.01643	24.5
137.02429	15.1
145.02905	2.4
148.05310	1.1
149.02513	1.6
149.04535	3.3
149.06073	3.5
150.05692	1.4
151.03992	33.0
159.04466	1.2
160.01640	88.5
161.02422	23.9
161.04492	1.9
163.03981	1.8
165.05542	1.0
166.05173	1.0
167.03455	1.9
173.04605	1.2
175.03981	100.0
176.04398	2.5
177.05577	1.8
179.03520	6.2
181.05148	2.0
191.07085	1.4
193.05034	11.4
197.04504	6.3
220.09781	3.8
221.04599	1.7
251.05524	1.4
255.02927	1.2
282.09790	1.0
297.63232	0.9
299.09097	2.5
300.02621	1.2
323.07675	3.8
337.09256	17.9
343.11816	49.9
344.12152	3.1
359.09830	6.0
376.45569	1.0
435.22342	1.0
461.14484	96.2
462.14844	7.1
473.10825	1.7
505.13199	20.8
505.20209	1.6
505.26328	1.8
506.14468	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	505.1558
Annotation	CHEBI:69792
Peak:m/z	Relative Intensity
58.00600	0.7
59.01374	7.7
60.10512	0.3
61.98820	0.8
65.78140	0.4
71.01374	5.0
71.62275	0.4
72.99310	0.4
73.02928	0.6
75.00891	0.4
85.02959	1.9
87.00865	1.0
89.02429	5.0
91.05453	0.3
93.03489	0.5
95.01385	0.8
96.95993	4.6
99.00807	0.4
101.02426	5.0
105.03439	0.8
109.02964	0.5
113.02467	2.4
117.03459	1.0
119.03497	1.5
123.04520	0.6
127.61686	0.3
128.90167	0.6
132.02158	1.5
133.02940	26.6
134.03723	1.1
135.04510	17.7
137.02412	0.4
143.03479	0.4
149.06104	0.9
161.02426	100.0
162.02745	2.6
163.06064	0.8
177.05545	1.6
179.03481	13.9
180.03806	0.5
181.07153	1.7
195.92564	0.3
201.46260	0.3
214.04358	0.4
221.04497	2.3
251.05487	1.1
255.10194	0.8
263.05539	0.5
267.93344	0.3
281.06677	2.2
283.11844	0.5
343.12012	1.3
390.69019	0.4
406.48166	0.4
407.15677	0.4
505.15564	84.7
506.15863	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	505.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19254	0.4
53.60756	0.4
55.40736	0.3
56.39828	0.3
59.01088	0.6
59.01376	8.0
60.01683	0.6
61.98822	1.1
69.60316	1.7
69.60720	0.7
71.01376	6.5
72.99303	0.9
73.02943	0.9
75.00871	0.5
78.85648	0.4
83.01382	0.3
85.02943	1.5
87.00873	1.6
89.02429	5.7
93.03468	0.6
96.95998	9.6
99.04552	0.6
101.02431	5.6
103.73531	0.4
107.05040	0.5
111.04493	0.6
113.02444	2.4
117.03474	0.8
119.03513	1.8
121.02933	0.8
128.90154	0.7
132.02118	0.8
133.02945	27.1
134.03679	1.4
135.04514	17.7
136.01585	0.5
136.04822	0.7
137.02441	0.4
149.06029	1.1
151.03981	0.5
161.02425	100.0
162.02783	3.1
163.06139	0.8
173.04559	0.4
173.45117	0.4
177.05560	2.0
179.03470	14.8
179.05157	0.7
181.07169	1.9
191.05621	0.7
221.04601	1.8
226.86894	0.4
251.05661	1.3
255.10245	1.5
281.06659	2.4
283.11935	0.8
313.70392	0.4
341.08777	0.6
343.12088	1.4
349.14923	1.3
382.02994	0.4
505.15582	80.9
506.15823	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	505.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	77.7
61.98835	5.7
68.99831	2.9
69.03446	9.7
70.97506	2.4
70.97832	6.0
71.01372	94.0
71.01763	5.2
72.99313	3.9
73.02945	6.2
75.00870	6.2
77.74641	2.2
78.30763	2.5
78.95924	4.5
81.03429	2.7
83.01380	5.1
85.02932	11.7
86.33704	2.2
87.00862	4.7
89.02433	97.6
90.02824	2.9
91.01882	10.5
93.03427	13.4
95.01402	3.7
96.95999	13.8
97.02959	7.7
99.00871	4.8
101.02437	26.8
107.05033	3.8
109.02918	2.2
109.36136	2.2
113.02432	16.9
119.01363	7.6
119.03498	6.4
119.05035	2.8
121.02959	14.7
125.02431	37.0
131.03488	24.4
133.02950	3.9
133.05043	2.7
135.04497	7.6
137.02402	13.5
143.03519	4.0
149.04544	36.3
151.03990	100.0
152.04401	3.0
152.99445	3.2
161.02464	6.7
161.04546	2.2
168.53131	2.1
173.04480	3.0
179.03479	6.3
181.01256	2.6
191.05573	14.8
233.06535	13.3
293.08737	77.3
294.08878	3.5
413.10699	4.1
433.24319	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	505.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18758	0.8
51.20177	0.6
54.45284	0.6
57.03450	1.5
59.01378	8.6
60.01627	0.8
63.77000	0.7
69.03486	0.7
70.61300	1.9
71.01371	11.4
73.02935	1.6
75.00867	2.2
78.95884	1.0
79.58558	0.6
85.02941	16.9
87.00875	4.3
87.01337	0.7
89.02426	5.9
93.03461	2.7
95.01387	2.0
99.00854	0.8
99.04559	0.8
101.02430	3.4
109.02904	0.8
111.04522	1.2
113.02443	17.1
117.05567	1.3
119.03468	2.5
122.59785	0.6
127.03996	1.6
129.01872	0.9
131.03471	0.6
143.03493	2.1
145.05060	1.4
161.04535	4.6
163.06108	11.3
165.04007	1.3
173.04501	1.3
179.05585	8.8
181.07150	1.9
191.05591	100.0
191.59651	0.7
192.05972	4.0
193.05893	1.1
205.58977	0.7
209.06583	1.5
223.82855	0.6
224.69537	0.7
323.09802	5.6
323.24731	0.7
343.12268	1.5
505.17728	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	505.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18758	0.8
51.20177	0.6
54.45284	0.6
57.03450	1.5
59.01378	8.6
60.01627	0.8
63.77000	0.7
69.03486	0.7
70.61300	1.9
71.01371	11.4
73.02935	1.6
75.00867	2.2
78.95884	1.0
79.58558	0.6
85.02941	16.9
87.00875	4.3
87.01337	0.7
89.02426	5.9
93.03461	2.7
95.01387	2.0
99.00854	0.8
99.04559	0.8
101.02430	3.4
109.02904	0.8
111.04522	1.2
113.02443	17.1
117.05567	1.3
119.03468	2.5
122.59785	0.6
127.03996	1.6
129.01872	0.9
131.03471	0.6
143.03493	2.1
145.05060	1.4
161.04535	4.6
163.06108	11.3
165.04007	1.3
173.04501	1.3
179.05585	8.8
181.07150	1.9
191.05591	100.0
191.59651	0.7
192.05972	4.0
193.05893	1.1
205.58977	0.7
209.06583	1.5
223.82855	0.6
224.69537	0.7
323.09802	5.6
323.24731	0.7
343.12268	1.5
505.17728	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	505.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
58.00580	1.2
59.01366	9.6
60.82070	1.0
71.01377	5.4
71.05015	2.4
71.60872	0.9
75.22868	1.1
78.95895	1.8
85.02940	2.4
87.00861	1.2
89.02426	4.7
96.95996	19.5
96.96954	2.3
99.08143	13.9
101.02438	3.3
109.06559	2.7
113.02452	2.4
115.03951	0.9
119.03424	1.7
123.04504	1.1
127.07641	39.3
128.07983	1.3
133.02933	1.4
135.04514	14.9
143.07137	1.3
145.08643	3.2
161.02394	8.1
171.06601	9.4
178.96275	2.6
179.03468	8.8
181.07108	1.2
187.05995	1.5
189.07655	100.0
190.05339	1.3
190.08022	1.9
191.05594	6.8
194.11029	1.0
202.06978	1.0
203.08197	1.4
204.08583	1.5
226.09964	0.9
251.03412	1.0
270.39218	1.0
315.10764	12.2
318.41467	1.0
343.10229	10.0
419.06021	1.7
476.41019	1.1
505.15308	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	505.2073
Annotation	[3R-(3a,4b,5a,5aa,6a,9b,9aa,10R*)]-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-Methano-1-benzoxepin-4,5,6,9,10-pentol 5-acetate 6-benzoate
Peak:m/z	Relative Intensity
53.06791	0.5
54.34999	0.5
55.01876	7.1
58.00582	1.7
59.01373	37.9
61.98814	1.0
64.67856	0.7
71.01370	22.6
72.99292	1.9
73.02937	1.0
83.01373	1.1
85.02938	5.6
87.00867	1.1
89.02431	17.6
92.46259	0.6
95.01381	1.8
101.02429	13.5
101.99435	0.6
105.63873	0.7
107.05032	1.5
113.02436	7.4
119.03506	7.5
119.05008	15.8
119.08684	0.7
121.98479	0.6
125.02401	0.6
133.06566	1.0
133.10187	1.3
135.04523	1.4
137.06062	2.0
142.99840	0.8
143.08664	1.4
143.20908	0.7
144.05771	1.0
145.02919	1.8
146.07333	2.2
149.04523	0.7
149.05887	0.8
159.02913	0.9
159.08116	2.3
159.95992	0.6
161.02412	1.3
161.09700	11.9
179.05661	0.7
179.10780	0.8
191.05623	0.7
205.08673	11.9
262.51050	0.6
297.14413	0.7
299.11407	4.2
312.17755	0.7
324.12405	0.7
342.13614	0.9
426.97128	0.7
459.08997	0.6
505.20728	100.0
506.21191	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	505.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
58.00584	1.0
58.20741	0.5
59.01371	29.7
59.59946	0.6
71.01371	18.6
72.99310	1.3
73.02950	3.1
83.01369	1.2
85.02945	5.5
87.00858	0.8
87.04498	1.2
89.01904	1.3
89.02435	16.4
89.14896	0.5
93.03464	0.9
95.01360	1.1
97.02981	0.9
98.20633	2.4
101.02431	10.1
107.05023	1.2
111.04493	0.9
113.02444	7.1
119.03541	5.4
119.05010	19.1
121.02947	6.4
131.03438	0.6
135.04337	0.6
135.08194	1.1
135.11797	8.4
137.06100	5.0
143.03532	0.7
144.14255	0.6
146.25107	0.6
149.04546	0.8
159.08032	0.7
159.11684	0.8
160.02330	0.5
161.09682	4.5
175.11319	0.7
177.12827	1.7
179.05580	1.9
179.10754	36.2
180.11086	1.7
180.70114	0.7
186.45091	0.6
193.12276	3.3
199.89110	0.6
205.08621	1.1
208.87682	0.7
221.11765	5.6
223.09770	4.8
251.12865	0.6
252.61520	0.6
299.11398	3.3
312.94089	0.6
447.96890	0.7
461.21875	0.8
504.34225	0.8
505.20740	100.0
506.21097	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	505.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
58.00600	4.4
59.01374	76.0
61.98832	2.2
64.20255	1.6
70.58292	4.6
71.01375	54.5
72.99301	3.2
73.02938	2.6
76.48271	1.3
78.32569	1.5
83.01379	1.9
85.02938	9.0
87.00868	3.8
89.02437	57.4
90.13235	1.5
95.01382	5.3
101.02430	27.9
111.00877	4.7
111.04547	1.6
113.02439	26.3
119.03515	23.4
119.05004	44.7
121.10236	2.6
133.10202	4.6
135.11774	24.7
136.12108	2.2
137.06036	4.6
139.00342	1.6
143.03508	3.7
149.04561	2.3
149.42010	1.6
159.08141	3.1
161.04536	5.3
161.09706	28.6
177.12802	1.9
179.05609	10.4
179.10750	100.0
180.11124	4.8
193.12384	2.8
203.10744	9.9
221.11867	7.2
260.43277	1.3
281.10196	9.6
290.04398	2.0
299.07880	3.2
299.11328	66.5
300.11526	3.8
307.08224	3.6
337.36868	1.7
371.03409	2.1
461.21658	6.7
505.20630	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	505.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94334	1.3
56.35976	1.3
57.03425	3.2
58.00584	3.1
59.01373	100.0
61.98816	5.8
65.53080	1.5
68.99831	1.3
69.03468	1.7
71.01373	56.9
72.01743	1.5
72.99278	3.3
73.02943	7.4
82.40144	1.5
83.01395	3.3
84.95107	1.5
85.02945	16.4
87.00865	2.4
89.02436	52.9
93.03461	2.8
95.01382	4.3
95.04961	1.7
96.95986	5.0
99.00842	3.4
101.02435	34.4
106.04252	1.5
107.05015	45.3
111.00868	3.6
113.02435	28.6
119.03500	20.3
119.05000	39.6
121.02946	12.1
125.02408	1.5
131.03448	3.2
133.02921	6.0
133.10217	4.8
135.04517	9.7
135.11783	19.0
137.01424	2.6
137.02431	38.5
137.06047	6.3
143.03471	6.0
145.02916	2.0
149.04570	4.9
149.09692	1.9
151.03969	13.2
159.03001	1.7
159.08131	2.0
161.02464	15.0
161.04518	8.5
161.09682	25.3
174.85590	1.4
175.11122	1.8
179.03476	11.2
179.05615	6.0
179.10747	80.6
180.11131	3.6
191.05446	2.2
193.12257	4.6
195.06728	1.8
203.05562	1.6
203.10814	8.4
209.11801	26.1
221.11816	5.2
281.10153	6.3
282.11011	2.3
285.20740	1.9
299.08099	1.9
299.11307	52.7
300.11694	2.5
305.17590	2.3
307.08344	1.8
311.59055	1.7
367.00787	1.7
373.22107	4.9
419.63269	5.1
441.62534	2.4
461.21344	2.2
504.34207	2.9
505.19791	9.0
505.26953	2.0
505.34637	2.7
506.16190	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	505.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30785	0.9
59.01374	100.0
60.01696	1.0
61.98812	2.3
69.36228	6.9
71.01379	8.3
73.02930	3.8
73.75935	1.0
74.59973	0.9
78.95908	1.4
85.02953	5.4
88.13889	0.9
89.02439	1.6
95.01376	1.6
96.96049	1.2
97.02937	1.0
99.00892	1.0
101.02465	5.0
102.59248	0.9
113.02441	3.3
116.05973	0.9
117.03438	5.2
119.05022	10.6
145.01852	1.7
145.02942	27.8
152.99609	1.2
161.02330	1.2
161.04504	3.0
162.03203	1.2
163.03989	7.1
285.20645	1.9
339.58218	0.9
380.99677	1.1
383.24347	4.8
413.23236	4.1
431.24319	4.9
487.33191	1.8
505.28043	24.0
505.34760	1.3
506.28278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2221
Annotation	Macaranone A
Peak:m/z	Relative Intensity
53.88519	1.1
58.02960	3.6
59.01373	8.5
60.21244	1.5
61.98823	1.3
69.03476	1.3
71.00744	1.4
71.01369	5.4
72.00889	3.5
73.42673	1.0
74.02472	5.4
82.02984	13.0
83.01376	2.5
83.04982	1.2
84.00874	1.2
84.04542	1.2
84.60290	1.0
85.02905	2.3
86.02457	6.1
88.98765	1.6
89.02457	2.8
94.02974	1.2
96.04537	9.2
97.04054	3.7
98.02460	7.4
99.05618	4.8
100.04028	2.6
101.02433	5.8
101.07185	2.0
104.03525	19.4
108.04550	12.1
110.02469	2.6
110.06094	4.4
111.05646	8.1
112.04018	8.0
112.07663	4.9
113.03584	2.2
118.45795	1.2
122.06030	1.4
124.04021	10.0
125.03571	1.2
125.04819	1.5
126.05587	8.2
126.19328	1.1
127.05122	4.3
128.01718	1.5
129.06689	27.3
133.02913	1.7
135.04485	1.7
137.06131	1.2
137.07191	1.9
138.05586	2.3
139.05144	1.5
140.07175	5.3
143.04562	2.7
152.03502	5.6
152.07149	3.5
154.05078	3.1
155.08232	8.4
157.06134	2.1
161.02377	3.4
165.06619	7.1
167.08203	3.5
168.06570	1.3
170.04546	3.9
173.97084	1.0
177.01891	4.3
177.06677	1.5
179.03439	3.5
183.07764	8.3
183.13893	1.6
185.09373	2.6
195.07715	14.9
195.13860	2.8
213.08784	10.4
213.14948	8.3
215.20361	1.2
220.06129	2.3
225.05034	1.3
227.06703	15.9
239.06683	6.0
247.13707	22.5
249.83633	1.1
257.07751	68.1
258.08087	2.1
297.67096	1.3
312.09900	1.2
367.36707	1.2
373.22156	2.1
376.37430	1.2
418.19122	6.9
475.21219	4.4
487.20645	1.5
505.22186	100.0
506.22406	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	505.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47831	0.6
59.01373	17.1
61.92093	0.7
61.98824	16.3
63.99237	1.6
71.01378	8.1
71.62440	1.0
73.02947	5.3
75.00861	1.3
83.01389	0.8
85.02930	0.9
89.02437	7.9
101.02429	18.7
102.90673	0.7
104.08142	0.8
111.08093	0.9
113.02428	3.2
116.39127	0.7
119.03477	5.9
130.57776	0.7
143.03493	1.0
149.04527	1.0
172.19591	0.7
240.52296	0.8
263.23740	0.9
273.22211	3.1
277.21677	100.0
278.22043	4.9
291.23254	28.2
292.23630	2.0
301.21701	3.1
319.22726	12.4
331.22729	2.0
335.22699	0.8
349.23801	1.9
379.24915	1.1
397.25760	1.1
469.32874	1.1
470.34692	0.7
505.25470	1.5
505.34967	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	505.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24155	4.8
59.01371	74.9
61.98821	20.0
69.95707	5.4
71.01377	5.2
71.61900	7.8
96.95982	7.6
101.73940	5.5
145.02925	10.8
262.46634	6.1
277.21930	8.6
375.67453	7.8
417.33850	12.0
443.35098	13.2
445.33035	11.5
457.32834	8.8
469.33167	28.0
487.33942	16.7
505.35818	100.0
506.35599	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	505.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.4
61.98826	2.1
69.35751	3.3
69.36176	7.3
71.01388	1.9
78.95898	10.0
98.19756	1.3
101.02467	1.6
103.03996	2.9
117.91927	1.2
129.39484	1.3
152.99535	13.8
214.67216	1.1
226.33534	1.2
277.21686	37.2
277.24741	2.2
278.21964	1.5
291.23230	4.5
340.81528	1.3
368.06372	1.3
407.29248	1.8
409.30948	2.8
414.67200	1.4
423.32590	41.2
424.32840	5.2
469.33139	100.0
470.33557	10.1
505.25650	24.1
505.34882	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	505.3527
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
54.11222	2.0
59.01373	57.6
61.14090	1.8
61.98818	4.4
70.11390	7.1
78.95924	3.2
83.05029	2.9
96.03116	1.8
99.04537	2.2
103.04018	3.4
152.99576	3.2
155.07091	1.8
173.84256	1.7
196.40373	1.9
243.33997	2.0
277.21689	21.3
364.22256	2.6
369.31723	3.7
383.29504	4.3
397.30826	2.5
409.30951	2.7
415.32288	4.0
417.33743	13.9
443.35303	7.7
445.33057	12.5
457.33359	4.2
459.35077	5.6
461.32718	5.4
469.33234	8.2
487.34262	16.8
505.26767	3.4
505.35416	100.0
506.35861	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	505.3528
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
51.36150	0.4
57.03432	0.5
59.01372	46.7
61.98836	0.9
71.05000	0.6
99.08130	1.0
100.91431	0.4
125.09718	0.8
141.41519	0.4
146.53882	0.4
155.45126	0.4
283.62393	0.5
289.21503	0.5
301.37885	0.5
327.26923	1.6
333.21213	0.5
353.28137	0.5
369.31531	1.7
379.30106	1.3
381.31680	2.3
383.29608	1.9
395.33292	2.3
397.31125	0.9
399.32278	0.5
409.31113	2.4
415.31955	2.8
417.33670	12.3
418.33887	0.8
423.32361	0.6
425.34125	1.4
443.35245	9.8
444.35483	0.7
445.33167	13.3
446.33578	1.1
457.33328	1.5
469.33090	4.6
487.34259	14.0
488.34518	0.8
505.35287	100.0
506.35556	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	505.353
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
52.21054	0.3
52.43897	0.3
59.01373	12.9
61.98818	1.0
69.42356	2.6
71.01366	1.1
73.02946	0.6
78.95896	0.7
85.02930	1.0
87.04487	0.4
101.02441	1.2
110.97784	0.4
113.02429	0.4
121.02938	2.1
128.09531	0.3
135.05501	0.3
137.06084	0.6
139.07669	0.3
139.11301	0.5
141.01674	0.6
151.11276	0.4
153.80785	0.3
164.07155	1.3
189.12753	0.4
191.14343	0.7
193.15916	2.9
203.14449	0.6
205.15938	8.4
206.16368	0.4
223.17014	3.7
251.16486	8.5
252.16722	0.6
253.18047	13.6
254.18449	0.7
301.27792	0.5
411.32706	0.4
427.32776	0.5
445.31638	1.0
447.13470	2.5
459.34570	0.7
461.36304	0.4
463.32892	1.0
471.31107	0.5
487.34842	1.7
505.35324	100.0
506.17798	0.5
506.35706	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	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	35.1
61.98830	1.8
71.05065	1.0
73.02938	2.0
74.03133	0.8
75.43823	0.8
96.95991	2.4
153.00671	0.8
190.98648	0.9
193.15935	1.3
205.15924	8.8
207.17285	0.8
223.17052	3.4
251.16481	18.2
253.18130	8.4
285.04126	1.4
404.98569	0.8
427.63113	1.0
445.29532	1.0
461.36734	1.2
473.32822	4.3
487.33691	3.5
505.35367	100.0
506.35779	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	506.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01490	0.7
59.01375	100.0
59.35927	0.6
60.01696	1.5
61.98836	1.4
65.59274	0.7
70.88157	1.4
71.01367	5.0
73.02949	2.1
75.00880	2.2
83.01382	2.1
85.02944	5.3
89.02483	1.6
92.05083	1.2
93.03478	1.1
95.01368	1.0
96.95998	6.7
100.04044	1.2
101.02456	3.1
101.69946	0.8
104.03558	2.2
107.05038	0.9
108.04551	1.6
110.71667	0.7
113.02467	1.4
113.55991	1.0
116.59246	0.7
118.02989	2.0
119.05053	1.3
120.04546	1.0
121.02974	1.4
122.02484	4.1
124.04046	3.1
126.05595	1.3
130.02977	1.7
132.04593	1.7
133.02940	1.6
134.06129	1.1
135.04529	2.4
136.04056	0.9
137.06073	6.0
138.05605	1.1
145.05331	0.9
146.06122	2.9
148.04054	1.6
150.05573	1.7
151.03932	1.4
152.56204	0.7
160.07742	2.1
161.02437	3.1
161.04599	1.5
162.02759	1.3
162.05643	2.4
163.02905	1.1
163.04111	1.3
164.07167	1.4
165.05579	3.2
170.06049	0.8
174.05632	1.1
176.07179	1.5
177.05568	1.1
178.05086	4.3
178.06326	1.6
178.08720	1.5
179.03508	8.3
179.07100	20.2
180.02985	2.1
188.07182	3.4
190.05144	1.6
190.08786	1.2
192.06635	6.5
194.04628	0.7
202.05127	1.5
202.08665	1.3
204.06700	2.5
206.08307	1.2
216.06621	1.0
220.09772	5.5
222.07674	7.2
224.05705	2.0
234.07672	5.7
246.07669	1.9
252.08850	1.4
264.08737	6.1
266.06720	2.6
282.09808	7.2
294.09875	1.5
296.07681	4.5
324.10986	5.2
326.08838	5.9
342.11942	0.9
346.56500	0.7
373.22427	2.1
374.22598	5.2
384.14606	0.8
505.26535	1.2
506.16302	8.2
506.27029	4.2
507.28201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01301	0.6
57.03451	0.7
59.01374	100.0
60.01716	0.9
60.99301	1.0
61.98822	1.8
67.01890	0.6
68.99812	1.6
69.03477	1.1
70.62026	0.9
70.62357	1.6
71.01376	2.5
71.73885	0.6
73.02948	1.0
77.03976	2.9
78.95895	1.8
79.95744	1.7
83.01388	1.5
85.02944	4.1
89.02451	0.9
91.05545	1.0
92.05058	1.2
93.03462	2.0
93.07092	3.4
95.01385	0.9
95.05025	1.2
96.96002	57.0
96.97002	1.8
99.49258	0.6
100.04028	1.0
101.02457	4.5
102.03494	0.7
104.03548	2.8
107.05057	0.7
108.04574	1.4
113.02433	1.7
117.03520	0.8
118.02988	2.0
118.06599	1.0
119.05024	11.2
120.04545	0.9
121.02954	4.6
122.02509	4.7
123.04509	0.9
124.04031	2.4
125.02448	1.0
126.05657	0.8
130.02974	1.9
132.04572	1.3
133.02965	1.6
134.06114	0.9
135.04518	3.2
137.02499	1.5
137.06071	47.9
138.05606	0.9
139.00363	0.9
146.06140	2.4
148.04076	0.9
149.99512	0.6
150.05666	1.8
151.04037	1.7
151.07545	0.9
158.06134	1.1
160.04103	0.8
160.07713	2.5
161.02469	3.5
161.04558	0.8
162.05611	2.1
163.04002	6.1
164.07213	0.9
165.01907	4.8
165.05600	2.8
168.00621	1.3
174.05598	1.1
176.07169	1.1
177.05638	1.5
178.05095	4.1
178.06418	1.8
178.08681	1.9
179.03529	7.2
179.07112	26.0
180.02995	1.9
180.06548	1.3
181.05008	1.4
188.07169	4.2
190.05168	1.9
190.08696	1.6
192.06644	6.4
195.06789	0.8
198.62242	0.8
202.08803	2.1
204.06714	2.0
206.08212	0.9
207.02972	3.4
216.06633	1.2
220.09721	6.4
222.07706	6.0
224.05714	2.1
234.07756	6.5
246.07756	2.0
252.08751	1.0
264.08676	6.6
266.06531	3.6
282.09811	6.7
294.10001	1.8
296.07709	6.1
296.80453	0.8
301.10928	1.8
324.10779	6.1
325.10855	0.7
326.08694	6.6
327.79965	0.7
342.12204	1.0
345.09619	3.6
384.14612	1.0
457.60947	0.8
463.16446	1.2
476.16336	0.7
488.16092	1.5
506.16525	8.1
506.26886	1.6
507.15283	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	506.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57923	1.7
57.38301	1.5
59.01373	100.0
60.01700	1.6
61.21264	1.6
61.98820	45.2
62.08369	1.6
67.43771	1.5
71.01359	5.1
84.04533	4.3
85.02920	3.6
88.98784	1.5
89.02414	2.6
93.03420	3.6
99.00887	1.5
100.04021	2.0
101.02428	5.7
102.05601	10.4
103.93778	1.5
108.04539	1.8
113.02460	2.0
117.07005	1.6
118.06618	4.5
119.05037	2.8
120.04533	2.9
121.02934	3.7
122.02479	10.1
122.03206	2.4
123.04502	4.6
124.04051	1.7
128.03461	2.4
130.06635	2.0
131.03741	4.6
133.02875	2.4
135.04494	6.1
137.06007	2.5
144.04578	1.9
144.08145	7.0
146.04567	6.5
146.06078	19.2
148.27986	1.7
149.06059	2.5
152.07138	4.4
153.05583	1.9
157.05295	14.8
160.04062	1.6
161.02448	10.5
161.04643	2.0
162.09221	2.6
163.03957	3.2
163.06328	6.3
163.07631	2.0
164.07161	12.0
166.05016	3.5
172.07649	28.6
172.66873	1.6
174.05519	9.2
175.06358	3.9
176.07158	1.8
178.08707	40.9
179.03381	6.0
179.08961	1.9
180.03224	1.6
181.05055	4.7
182.05348	2.5
182.08142	8.5
188.07115	5.3
188.10777	2.5
189.07901	5.4
190.05075	3.2
190.08722	9.4
195.06592	78.1
196.06921	4.0
196.09686	3.1
204.10257	86.3
205.10619	3.0
220.09756	1.9
220.13406	2.9
222.07729	4.2
222.11336	19.2
223.06154	3.7
227.43980	1.8
238.10962	2.5
248.09261	3.3
266.10376	12.7
282.09451	1.9
308.11218	2.6
326.12424	3.6
360.14340	1.9
412.13919	2.6
444.16452	8.0
462.17520	6.3
488.15482	4.4
506.16586	87.4
507.16904	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	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.3
59.01372	8.3
61.98822	100.0
62.84208	0.3
68.99566	0.6
71.01375	3.7
76.64082	0.3
78.95937	0.4
82.95415	0.5
85.02952	0.8
87.00866	0.8
89.02441	4.3
96.95994	5.8
98.19842	0.8
99.04507	0.6
101.02439	2.3
106.04264	0.4
107.05042	0.8
113.02463	1.5
114.09236	0.7
116.07164	13.6
117.07525	0.3
119.03539	1.6
119.05016	1.0
120.48718	0.4
121.02970	1.6
122.03277	0.4
133.02884	0.3
135.04507	0.8
137.02437	0.5
137.06062	1.0
139.07655	0.4
142.90858	0.3
143.03523	0.5
149.04480	0.6
160.01651	0.5
161.02408	0.8
161.04559	0.5
162.02835	0.4
166.15054	0.3
175.03938	0.5
177.87459	0.4
179.03502	1.1
179.05640	1.3
179.07103	0.5
179.10757	0.4
187.11331	1.5
211.13373	0.9
219.13896	0.5
225.27350	0.3
263.12845	2.9
282.11368	0.6
308.18619	12.8
309.19104	0.5
311.09561	0.8
326.09763	0.3
342.13297	0.6
359.47491	0.4
364.22244	0.4
404.14337	0.6
417.52618	0.5
443.19385	0.9
506.15714	0.5
506.21317	1.2
507.22614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11971	1.0
56.43003	1.2
59.01374	100.0
60.01707	1.2
67.01903	2.2
68.99807	2.1
69.03462	1.1
69.54585	5.8
69.54996	1.8
71.01376	5.0
89.02429	3.5
93.03451	4.7
95.01411	1.3
96.77139	1.1
99.04534	1.2
101.02422	3.7
107.05011	1.7
108.08128	1.2
110.54030	1.1
111.00861	7.3
111.04510	3.1
113.02429	2.1
119.03523	1.3
119.05029	3.6
120.04479	1.9
121.06565	1.6
122.02477	2.1
123.04494	3.7
124.04041	1.8
128.04311	1.4
130.08749	1.2
133.02925	1.6
134.03749	3.1
134.06110	2.7
134.09734	1.5
135.04506	4.2
136.04074	1.3
137.02415	2.0
137.06030	2.4
138.05621	2.1
139.00313	1.2
140.00635	1.5
147.04535	1.5
148.04030	1.8
148.11317	6.2
149.04489	1.2
150.05551	1.9
150.09218	3.0
151.03992	17.1
153.05547	5.1
160.11253	1.3
161.02403	1.3
161.04805	2.8
162.12958	1.4
163.04024	1.6
165.04276	1.4
165.05598	1.6
166.05067	1.5
166.08710	3.2
169.03773	1.3
174.09196	3.2
176.07109	5.7
176.10760	7.5
177.01903	3.8
178.05078	20.3
179.03459	1.4
179.05765	2.4
180.02992	4.7
180.10233	6.6
188.10782	3.2
190.08760	1.3
190.12332	6.2
191.05862	3.5
193.05092	4.0
195.06606	57.8
196.06955	1.5
200.10828	1.2
202.08672	1.4
204.10229	3.1
205.10954	1.6
206.08218	5.6
206.11845	8.3
208.13445	2.4
216.10172	2.0
218.11850	8.2
220.09686	2.0
220.13318	5.4
221.10550	3.0
232.13454	4.0
234.11279	8.2
236.12863	25.4
237.13652	1.3
248.12750	1.9
250.10847	1.1
250.14247	6.6
253.07173	4.0
253.09520	1.3
262.10840	2.0
265.09583	4.6
266.13998	5.2
274.07974	1.3
276.12347	2.2
280.11856	31.7
294.13403	5.5
307.08176	3.4
308.08496	4.6
310.12820	9.1
316.08954	1.8
326.15939	7.9
430.18582	2.6
447.22430	5.1
474.17606	3.3
506.20276	76.6
507.20273	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	506.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72179	3.3
61.98516	6.1
61.98824	100.0
70.46236	7.7
70.46611	6.2
87.94637	3.3
129.27608	3.4
160.06134	3.2
203.31157	3.4
345.55774	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	506.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52060	0.2
59.95167	0.2
59.96616	0.2
61.18478	0.3
61.98824	100.0
70.75230	0.6
78.95895	2.5
152.99570	2.8
153.94516	0.3
227.03346	0.5
279.23242	14.2
280.23801	0.4
281.24890	1.9
372.96573	0.3
506.32373	0.5
507.27252	6.9
507.34268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10040	0.9
71.61161	1.2
75.10373	0.8
84.30160	1.0
92.59086	0.8
121.02943	78.3
122.03271	1.7
136.06989	0.9
140.64005	0.8
161.02417	3.1
161.51552	0.9
165.01909	100.0
166.02275	2.1
228.65005	1.0
247.72218	1.0
295.44113	1.2
341.08676	1.2
509.83466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1136
Annotation	Moghanin A
Peak:m/z	Relative Intensity
59.01360	2.8
69.03436	1.9
69.27189	5.6
71.01354	1.7
77.03934	0.8
81.03437	1.0
83.01379	1.5
88.98772	1.2
89.02416	0.8
93.03404	0.6
95.01370	2.1
95.04980	0.7
96.95992	4.5
97.02930	2.1
98.20593	1.2
107.01380	1.8
108.02144	1.4
119.05009	2.0
121.02901	2.1
123.00866	8.2
124.01644	19.2
125.02429	35.9
126.02776	0.7
133.54410	0.6
134.03740	5.7
135.04500	1.3
137.02390	2.9
139.00337	0.7
149.98337	1.5
149.99562	31.0
151.00243	2.2
160.01619	7.9
161.02333	1.9
162.02773	0.8
163.03944	2.0
165.01895	2.8
166.99811	0.6
168.00613	60.4
169.01385	4.1
175.03989	10.3
176.04362	0.6
179.07092	0.8
193.05014	4.3
207.02911	2.3
225.82758	0.7
313.05719	3.9
331.06656	14.1
337.09238	1.6
396.53220	0.6
489.10565	1.5
507.11316	100.0
508.11511	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	507.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48209	0.2
58.88805	0.2
59.01372	2.6
61.98809	0.4
69.41252	1.4
71.01369	1.8
73.02924	0.3
74.40907	0.2
78.95901	1.3
79.95725	3.0
85.02946	0.3
89.02421	1.7
91.05296	0.2
94.22405	0.1
96.95996	100.0
97.95946	0.3
98.20572	0.3
101.02437	1.3
113.02457	0.8
119.03480	0.6
131.03455	0.2
135.04472	0.2
143.03558	0.2
145.02928	0.4
149.04494	0.5
161.04547	0.3
179.05577	0.4
191.05594	0.2
224.76495	0.2
244.37819	0.2
315.17984	0.6
447.22385	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48209	0.2
58.88805	0.2
59.01372	2.6
61.98809	0.4
69.41252	1.4
71.01369	1.8
73.02924	0.3
74.40907	0.2
78.95901	1.3
79.95725	3.0
85.02946	0.3
89.02421	1.7
91.05296	0.2
94.22405	0.1
96.95996	100.0
97.95946	0.3
98.20572	0.3
101.02437	1.3
113.02457	0.8
119.03480	0.6
131.03455	0.2
135.04472	0.2
143.03558	0.2
145.02928	0.4
149.04494	0.5
161.04547	0.3
179.05577	0.4
191.05594	0.2
224.76495	0.2
244.37819	0.2
315.17984	0.6
447.22385	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
59.01369	17.1
60.01709	1.2
62.09444	0.6
65.14131	0.7
68.99803	0.7
70.61235	1.2
71.01382	4.3
73.02929	1.8
77.03952	6.3
78.95895	1.5
79.95729	2.6
85.02946	2.4
89.02412	1.0
91.05511	2.8
93.03448	1.8
93.07083	6.5
95.01405	0.9
95.05051	3.1
96.95999	74.6
96.96982	2.7
101.02418	2.6
107.05026	0.8
110.68847	0.7
113.02431	1.7
119.05016	21.8
121.02916	5.3
122.03716	2.8
135.04510	3.8
137.02495	3.0
137.06065	100.0
138.06398	3.2
139.00281	1.3
148.01610	1.1
148.97978	0.6
152.03494	1.0
161.04497	1.5
163.03986	14.2
165.01895	9.7
168.00616	0.9
178.05026	0.8
179.03413	1.0
179.07083	3.2
181.05032	2.4
196.39268	0.6
207.02957	7.7
221.10048	0.7
301.10809	3.0
345.09778	6.5
346.09891	0.8
356.35446	0.7
375.20248	2.0
463.15997	4.7
507.15067	45.3
507.27609	1.9
508.15515	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	507.1504
Annotation	Eurostoside
Peak:m/z	Relative Intensity
51.02370	0.9
59.01369	17.1
60.01709	1.2
62.09444	0.6
65.14131	0.7
68.99803	0.7
70.61235	1.2
71.01382	4.3
73.02929	1.8
77.03952	6.3
78.95895	1.5
79.95729	2.6
85.02946	2.4
89.02412	1.0
91.05511	2.8
93.03448	1.8
93.07083	6.5
95.01405	0.9
95.05051	3.1
96.95999	74.6
96.96982	2.7
101.02418	2.6
107.05026	0.8
110.68847	0.7
113.02431	1.7
119.05016	21.8
121.02916	5.3
122.03716	2.8
135.04510	3.8
137.02495	3.0
137.06065	100.0
138.06398	3.2
139.00281	1.3
148.01610	1.1
148.97978	0.6
152.03494	1.0
161.04497	1.5
163.03986	14.2
165.01895	9.7
168.00616	0.9
178.05026	0.8
179.03413	1.0
179.07083	3.2
181.05032	2.4
196.39268	0.6
207.02957	7.7
221.10048	0.7
301.10809	3.0
345.09778	6.5
346.09891	0.8
356.35446	0.7
375.20248	2.0
463.15997	4.7
507.15067	45.3
507.27609	1.9
508.15515	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	507.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73367	0.4
58.96392	0.4
59.01364	1.0
69.03454	0.4
70.40405	0.6
70.40733	0.5
71.01363	1.0
77.19677	0.3
85.02940	8.5
87.00861	1.8
93.03452	3.3
99.78206	0.4
109.02973	0.8
111.04475	1.2
113.02418	0.8
121.02898	0.6
127.04009	1.8
138.41751	0.4
165.01849	0.4
165.04027	0.7
171.03177	0.4
173.04498	0.9
191.05583	100.0
192.05902	2.3
228.88884	0.5
408.95773	0.4
474.75064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32567	0.4
56.89442	0.4
59.01376	1.5
60.57685	0.3
62.00701	0.4
66.54849	0.3
68.15394	0.3
68.62786	0.3
71.01362	1.0
73.02937	0.5
75.00858	0.9
78.95895	0.6
81.03391	0.4
85.02945	8.2
87.00870	4.3
93.03455	2.4
96.96926	1.0
101.02403	0.6
105.01923	2.1
109.02930	0.8
111.04514	1.0
118.22648	0.4
127.04007	2.0
137.02434	0.5
147.03033	0.7
153.05524	0.4
157.94339	0.4
162.22475	0.4
163.06102	0.6
165.04022	11.6
171.02986	0.7
173.04478	1.1
179.05669	0.4
191.05591	100.0
192.05954	2.4
314.96255	0.4
410.79736	0.4
461.51630	0.4
531.76019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.1
71.01380	1.6
113.41548	0.4
115.05524	0.8
131.05031	1.2
147.04518	4.9
153.09196	76.1
154.09537	2.5
161.04770	0.5
161.06071	6.9
169.08617	0.4
189.05537	1.2
197.08167	100.0
198.08499	3.1
507.18384	2.4
516.60687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03419	1.3
58.00577	1.1
59.01369	46.6
61.98823	0.9
63.85809	0.8
71.00990	1.3
71.01373	22.3
72.99314	1.2
73.02924	3.4
80.02660	4.6
83.01366	1.0
83.04993	0.9
85.02922	4.7
87.00844	1.7
89.02428	26.6
92.31011	0.7
93.03449	2.0
93.07043	0.8
94.04353	0.9
95.01375	2.0
95.05009	18.9
101.02428	13.1
107.05014	3.7
107.08637	2.3
109.06591	1.7
113.02433	9.3
114.02623	0.7
119.03501	9.3
119.05005	15.4
120.05817	1.3
121.06562	4.1
121.10166	1.1
130.19106	0.7
131.03455	1.0
137.06076	2.3
138.05586	0.9
143.03462	2.2
145.10202	2.2
147.08099	0.9
148.08931	1.0
161.02359	0.7
161.04480	1.5
161.09604	1.5
163.11266	32.1
164.11678	0.9
179.05589	3.0
179.07040	1.1
195.60638	0.8
207.10246	4.9
225.11278	100.0
225.38667	0.7
226.11572	3.9
229.55350	0.8
232.98958	0.8
283.11679	1.4
299.11313	23.1
342.13406	1.6
343.13736	1.2
445.36172	0.9
447.29715	0.8
507.22299	52.4
508.22781	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	507.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
57.03429	0.9
57.63692	0.7
58.00588	1.0
59.01096	1.0
59.01373	17.5
61.98812	1.9
69.22694	7.4
69.23093	1.2
71.01379	13.5
72.99279	1.5
73.02928	3.3
79.67564	0.9
83.01386	1.0
84.02145	0.8
85.02947	4.7
86.03740	1.2
89.02431	7.8
95.01359	1.5
95.05042	0.8
97.98383	0.8
99.00896	1.0
101.02441	5.8
113.02405	3.7
113.61477	0.7
119.03516	2.3
119.05011	20.9
137.06036	4.1
163.11246	3.8
176.73241	0.7
177.12794	1.9
181.12329	48.7
182.12669	1.2
195.13864	16.1
207.10229	1.9
223.13379	3.6
225.11240	6.4
227.05721	0.8
281.10254	1.7
299.11267	2.2
328.76233	0.9
507.22278	100.0
508.22632	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	507.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94204	0.8
57.03424	1.0
58.00571	1.2
59.01372	25.9
61.98819	3.1
64.83254	0.8
69.80029	1.7
69.80419	2.3
71.01376	11.9
73.02941	4.3
80.02674	4.2
83.04984	1.1
85.02932	2.9
89.02426	12.5
90.64630	0.8
93.03448	1.7
93.20790	0.7
95.01379	0.8
95.05016	19.5
101.02428	8.9
107.05027	5.2
107.08640	1.6
109.06574	2.8
109.95700	0.8
113.02423	5.3
119.03495	4.7
119.05007	12.6
120.05797	1.1
121.06570	4.2
127.46347	0.8
133.06593	0.8
135.04495	0.8
137.06067	2.3
143.03452	0.8
147.08058	1.0
161.02431	0.9
161.09692	2.8
163.11270	36.8
164.11560	1.9
181.12331	3.9
194.66759	1.0
201.96263	0.7
207.10205	5.7
225.11282	62.2
226.11575	2.7
297.86154	0.8
299.11374	5.7
507.22247	100.0
508.22598	10.1
522.15308	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	507.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01374	32.1
61.98820	6.4
69.03454	3.2
69.65416	9.5
71.01372	35.1
71.69274	1.3
72.99301	2.8
73.02941	14.0
78.95883	2.2
79.51771	1.3
79.95734	1.8
83.01362	3.8
85.02933	15.6
87.00864	2.0
88.98766	2.3
89.02439	13.7
93.03426	2.9
95.01339	2.8
95.04969	1.6
96.04574	2.1
96.95997	71.3
97.02942	1.3
98.32925	1.5
99.00859	5.7
100.03996	1.6
101.02431	23.5
104.03520	1.4
107.05017	1.8
113.02438	18.2
114.01951	4.4
115.00360	2.3
117.03436	1.4
119.03469	3.7
119.05029	4.2
121.02898	2.9
125.02414	2.0
133.02945	7.1
135.04510	12.4
137.06044	3.2
143.03447	2.2
145.02971	5.0
152.03549	11.3
159.03026	2.7
161.02451	12.9
161.04535	13.5
163.03976	2.5
173.04503	2.6
179.03456	12.1
180.06638	1.7
185.09583	2.0
191.05583	3.4
199.09799	1.4
225.11217	3.1
311.09512	21.9
311.59698	4.6
315.18079	12.4
327.21399	1.4
340.66327	1.5
352.10229	2.0
370.11658	1.9
379.61063	1.4
404.14819	3.4
404.65353	1.5
447.22226	100.0
448.22504	8.1
507.22656	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	507.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.2
57.03429	3.9
58.75267	1.8
59.01374	50.3
61.98822	3.3
63.00737	1.3
69.44593	11.9
71.01375	74.1
72.99311	1.7
73.02937	23.0
83.01378	10.7
85.02942	30.4
87.00867	3.3
89.02436	21.4
93.03446	1.6
95.01368	7.9
96.95993	6.4
97.02917	1.8
97.46033	1.4
99.00878	10.7
101.02428	49.5
113.02441	30.2
119.03479	5.0
125.02435	4.8
131.03485	2.5
135.04482	2.7
143.03471	3.2
159.02933	6.8
161.02409	3.5
161.04541	45.4
175.06175	1.5
179.03432	3.2
179.05817	1.5
182.62112	1.5
211.13283	6.6
249.81642	1.5
311.09470	4.8
315.18079	100.0
316.18375	4.5
347.60764	1.8
447.22263	99.8
448.22635	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89635	6.1
56.89960	5.4
60.94447	5.8
61.98830	38.2
70.03246	26.5
74.70161	5.7
78.95887	17.1
84.89474	6.6
130.00713	6.5
152.99580	37.2
153.49161	6.8
167.25424	7.2
169.34329	6.6
279.23254	100.0
287.78287	6.0
293.24774	10.0
314.35260	6.1
324.48074	5.7
346.06519	6.3
507.26251	64.8
507.33426	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	507.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78534	7.1
59.01360	19.0
61.98824	41.0
69.32600	57.8
69.33006	11.3
74.85367	8.1
78.95874	10.6
101.02414	9.8
119.95405	8.0
153.99823	6.9
195.48459	7.5
277.21674	70.7
291.23209	12.4
291.60443	7.9
471.34869	100.0
507.26468	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	507.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59350	6.0
61.98805	8.5
69.36768	6.9
69.37169	39.1
78.94392	4.3
81.85184	4.7
90.39391	5.1
144.63942	5.0
182.57478	4.6
186.89088	5.5
377.87799	4.9
390.65826	5.5
449.96497	5.5
471.34717	100.0
499.02878	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	508.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42308	0.3
58.65206	0.3
59.01365	0.7
61.98823	100.0
69.25175	2.8
78.80844	0.3
81.08637	0.2
96.96002	0.8
125.73507	0.3
143.85251	0.2
145.02972	0.9
148.16241	0.3
163.03995	0.3
261.28922	0.3
445.15408	1.0
508.29086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04728	0.4
59.01375	0.5
61.98824	100.0
62.87493	0.3
69.29555	2.0
69.29968	0.8
71.01384	0.4
71.52316	0.3
73.00809	0.3
79.13566	0.3
89.02444	0.7
98.20690	0.5
105.47647	0.3
109.02946	0.4
117.98886	0.3
128.46228	0.3
135.04488	0.7
149.07944	0.3
161.02434	1.4
179.03496	0.6
214.31326	0.3
293.79791	0.4
382.85049	0.3
385.32669	0.3
445.13232	0.6
449.24347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01705	1.3
61.98810	1.7
64.01901	2.1
68.01413	1.3
71.62671	1.3
74.43715	0.8
77.51270	1.1
79.53110	0.8
85.02962	0.9
89.02442	2.8
93.03445	1.2
107.65718	0.8
108.04523	2.4
109.01714	1.1
116.05070	1.4
118.06602	2.2
119.03735	1.2
119.05058	1.5
119.50430	0.8
122.02451	3.0
123.03246	6.1
123.04501	2.7
124.04031	15.7
135.04536	2.1
137.06096	6.3
138.05597	66.4
139.05978	1.0
145.06580	1.6
147.04512	6.5
148.04013	3.2
149.06065	1.4
152.07182	1.5
164.07138	10.7
166.06566	2.0
174.05489	1.0
178.08652	1.8
179.03534	2.0
179.07123	48.4
180.08148	6.9
196.09740	0.9
208.07646	13.2
208.23448	0.8
210.09216	4.1
214.08717	31.2
215.08946	1.0
240.10271	52.0
241.10555	3.1
250.12354	1.1
256.13492	1.0
266.11713	1.4
282.14969	2.8
284.09271	38.7
284.12747	2.9
285.09549	1.4
300.16028	1.8
302.10352	1.6
308.12854	2.2
315.12128	1.0
326.13925	9.9
327.14169	1.1
328.08023	1.0
344.15106	7.5
345.15115	1.1
361.16296	1.3
479.16745	1.1
508.19870	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	508.312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
65.34970	0.2
67.78455	0.2
71.38938	0.4
74.07668	0.2
76.16779	0.2
134.82367	0.2
148.22346	0.2
154.91003	0.2
281.24942	0.8
282.25281	0.3
283.87335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29433	1.8
59.01372	11.0
61.98831	15.1
69.03455	3.4
69.70636	11.4
71.01366	8.5
75.00854	5.1
75.39162	1.8
78.25518	1.6
85.02962	3.5
89.02432	7.1
95.01342	2.4
96.95997	13.5
97.02951	3.9
99.04494	2.4
101.02425	6.1
109.02940	45.6
111.00825	2.9
113.02419	2.9
119.03458	3.1
121.06587	1.9
133.02902	2.7
135.04510	100.0
136.04787	3.6
137.02489	1.8
143.03467	1.7
143.04959	6.0
146.03723	1.9
148.05264	3.2
149.06064	52.2
151.03983	2.4
159.04492	2.2
161.02388	8.1
161.04665	3.9
161.06052	25.4
162.03198	2.3
163.03989	2.3
163.07579	3.7
165.05429	3.6
171.04465	9.9
173.06006	2.3
174.03178	7.6
175.03931	3.7
177.05519	21.2
179.03520	11.4
179.04829	2.0
179.05423	1.5
188.04765	2.2
189.05545	93.1
190.05836	3.3
191.03482	3.0
191.05511	2.9
191.07166	2.8
195.06526	4.6
207.06587	78.5
219.06549	5.7
221.04510	37.7
231.06596	9.7
235.06082	9.5
239.05522	4.5
249.07596	4.7
251.05504	7.0
271.08154	2.3
297.09653	3.9
311.07727	32.5
311.11176	3.8
369.11636	9.7
370.72653	1.9
383.09729	9.8
397.11462	3.6
401.10672	10.9
407.92578	2.2
411.13062	5.2
413.10803	79.2
414.00076	2.2
414.11258	5.0
415.12326	2.6
443.11948	13.8
449.23489	4.2
455.11685	2.7
473.12927	70.4
474.13162	6.9
509.17804	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	509.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23894	0.9
59.01371	8.3
59.02460	0.7
60.61085	0.8
60.99298	14.9
61.98814	1.6
66.17636	0.8
69.44422	6.5
71.01368	2.7
73.02946	0.9
85.02905	1.7
88.98794	100.0
89.02432	2.7
89.99128	1.2
93.03439	1.0
95.01299	0.8
95.13798	0.8
97.41872	0.9
99.00775	0.9
101.02437	4.4
111.00845	1.8
113.02391	1.1
114.39490	0.8
116.99104	0.8
123.04495	1.0
127.03945	1.0
131.03502	0.9
135.04454	1.8
137.47568	0.8
139.00500	1.0
143.03500	1.0
149.04549	0.9
156.85002	0.8
159.15543	0.9
161.02394	0.8
173.04501	0.9
179.03484	1.2
203.31979	1.0
205.40315	0.8
285.04013	1.0
291.08701	2.6
447.08917	1.0
449.23260	0.9
508.35065	1.1
509.15918	0.8
509.23480	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	509.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29282	1.5
51.79852	1.4
53.10866	1.3
59.01371	50.4
61.98839	1.3
69.03448	68.7
71.01376	17.5
73.02937	2.9
75.00838	2.5
75.34985	1.4
78.76870	1.4
83.01392	2.3
85.02930	7.2
89.02428	14.4
93.03452	47.9
95.01377	4.0
95.05023	18.0
99.00836	2.1
101.02436	14.5
106.04251	3.6
108.02186	2.4
109.06604	3.1
111.00896	2.5
113.02444	13.5
119.03482	5.9
119.04991	2.3
121.02946	9.3
121.06584	25.8
122.06031	1.5
123.04501	6.9
125.02444	1.7
132.02173	1.7
133.02919	2.9
134.03705	10.0
135.04485	6.2
136.01654	15.7
137.02431	100.0
137.09639	1.9
138.02812	2.5
139.00362	10.6
139.07640	7.5
147.04512	3.6
149.02431	2.9
149.06056	2.7
151.03963	9.5
155.10791	6.0
159.64532	1.4
160.01683	8.8
161.02448	10.1
161.04552	1.6
165.05582	10.9
165.07640	1.9
171.06671	1.7
175.03990	12.1
176.04768	5.0
177.02089	1.7
179.03485	63.3
180.03813	2.4
183.06596	5.2
191.07085	6.1
192.06284	1.6
193.05042	12.4
209.04503	23.0
221.04491	2.7
235.06139	15.5
239.05565	41.9
265.07156	2.4
281.06628	14.6
295.08289	2.5
299.07712	8.9
333.11951	17.2
345.11819	15.6
351.10651	3.1
447.13525	1.8
449.27173	2.1
465.13968	72.8
466.14212	7.1
491.11887	2.5
509.13022	72.0
509.22137	12.5
509.29605	26.8
510.13150	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	509.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01883	0.3
59.01378	0.4
60.52765	0.2
61.98809	0.4
69.32941	0.6
69.33341	2.4
71.01423	0.3
78.95898	3.9
79.02818	0.3
79.95732	2.7
86.06011	0.2
96.96003	100.0
96.96899	6.7
100.05787	0.2
104.65229	0.3
145.02942	0.3
151.31003	0.3
152.03419	0.3
161.02409	0.3
172.48717	0.3
363.16318	0.3
451.31696	0.3
489.36957	0.3
509.23758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1657
Annotation	Demethylligstroside
Peak:m/z	Relative Intensity
55.01873	0.5
57.03440	0.5
58.00589	1.2
59.01370	100.0
60.94316	0.4
61.12822	0.4
65.03947	0.5
66.32290	0.5
67.01871	2.0
68.88908	0.5
68.99834	0.4
69.03445	69.5
69.30058	4.7
70.03765	0.8
71.01371	23.2
72.01733	0.5
72.99298	2.3
73.02935	0.7
78.51434	0.5
78.91864	1.2
83.01372	0.9
85.02953	4.0
87.00871	2.5
89.02431	24.5
89.88378	0.5
91.05536	0.7
92.35549	0.4
93.03433	1.1
93.07080	0.8
95.01376	3.3
95.05018	10.0
98.19723	0.8
101.02432	13.2
101.03915	0.8
106.04226	4.7
107.04963	0.7
108.02129	0.6
111.00871	3.8
111.01492	0.7
111.08133	0.7
113.02435	20.3
119.03488	9.4
119.04978	3.9
121.02934	9.3
121.06577	32.1
122.06840	0.6
123.04498	7.4
131.03458	0.9
132.02122	0.8
137.06062	15.1
138.99304	0.9
139.00349	13.6
139.03944	1.8
139.07626	5.9
143.03387	1.0
145.02866	1.4
147.03493	0.7
147.04497	7.9
149.02431	1.0
149.04501	0.7
161.04453	2.0
163.07602	0.7
163.22585	0.6
165.05542	51.1
166.05873	0.9
167.03276	0.5
179.05492	2.3
179.07008	8.6
183.06586	10.6
191.03474	10.3
204.73428	0.6
209.04498	7.5
233.08145	17.3
234.08429	0.8
259.09479	1.0
277.07126	15.3
278.07309	0.8
285.11282	8.3
300.37125	0.5
303.12347	2.4
329.10284	3.3
343.16360	0.6
347.11310	20.2
348.11337	1.1
371.09317	1.5
389.10788	7.9
509.16507	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	509.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30808	0.6
54.92976	0.6
55.01859	0.8
57.03444	0.9
58.00572	1.4
59.01371	100.0
67.01882	1.5
68.99812	0.7
69.03445	70.1
69.06186	0.7
69.29486	5.2
69.29912	1.5
70.03784	1.3
71.01371	25.6
72.99326	1.3
73.02941	1.3
80.85045	0.7
83.01398	1.0
85.02956	5.4
87.00885	2.5
88.68534	0.6
89.02432	23.7
91.05544	1.3
93.07138	0.9
95.01356	3.9
95.05009	12.1
97.02918	0.7
101.02427	14.1
106.04227	4.9
107.05032	0.9
108.02187	0.9
111.00857	3.1
111.08125	0.6
113.02435	20.7
119.03488	10.3
119.04997	2.7
121.02945	11.0
121.06579	31.8
123.04507	8.1
131.03513	1.1
137.06061	15.4
139.00349	13.4
139.04033	1.9
139.07626	5.9
143.03421	1.2
145.02968	1.0
147.04497	6.5
149.04611	0.8
161.04570	1.5
165.05544	54.9
166.05878	1.4
175.48645	0.8
179.05585	3.2
179.07147	8.8
183.06577	10.3
191.03474	9.3
202.69115	0.7
209.04485	8.2
233.08136	15.6
238.71700	0.7
259.09732	1.0
277.07129	16.2
285.11221	8.4
303.12430	2.9
329.10281	4.5
347.11252	21.1
348.11563	1.3
371.10110	1.3
389.10825	7.4
445.13531	0.7
463.21985	0.9
509.16534	8.0
512.68066	0.8
513.79907	0.7
514.18628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30808	0.6
54.92976	0.6
55.01859	0.8
57.03444	0.9
58.00572	1.4
59.01371	100.0
67.01882	1.5
68.99812	0.7
69.03445	70.1
69.06186	0.7
69.29486	5.2
69.29912	1.5
70.03784	1.3
71.01371	25.6
72.99326	1.3
73.02941	1.3
80.85045	0.7
83.01398	1.0
85.02956	5.4
87.00885	2.5
88.68534	0.6
89.02432	23.7
91.05544	1.3
93.07138	0.9
95.01356	3.9
95.05009	12.1
97.02918	0.7
101.02427	14.1
106.04227	4.9
107.05032	0.9
108.02187	0.9
111.00857	3.1
111.08125	0.6
113.02435	20.7
119.03488	10.3
119.04997	2.7
121.02945	11.0
121.06579	31.8
123.04507	8.1
131.03513	1.1
137.06061	15.4
139.00349	13.4
139.04033	1.9
139.07626	5.9
143.03421	1.2
145.02968	1.0
147.04497	6.5
149.04611	0.8
161.04570	1.5
165.05544	54.9
166.05878	1.4
175.48645	0.8
179.05585	3.2
179.07147	8.8
183.06577	10.3
191.03474	9.3
202.69115	0.7
209.04485	8.2
233.08136	15.6
238.71700	0.7
259.09732	1.0
277.07129	16.2
285.11221	8.4
303.12430	2.9
329.10281	4.5
347.11252	21.1
348.11563	1.3
371.10110	1.3
389.10825	7.4
445.13531	0.7
463.21985	0.9
509.16534	8.0
512.68066	0.8
513.79907	0.7
514.18628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98825	100.0
70.92568	1.0
71.01363	0.4
85.02957	0.4
96.96001	13.5
99.34218	0.3
101.02421	0.7
102.05592	1.6
117.81998	0.3
121.02987	0.3
122.02464	1.1
126.72702	0.3
135.76187	0.3
145.02950	0.9
146.06082	0.5
146.78830	0.3
152.03516	0.6
161.02504	0.6
178.08743	1.0
179.03464	0.5
196.63808	0.3
222.07727	1.0
311.09613	0.5
322.70248	0.3
446.18185	6.1
447.19193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51003	0.3
59.01373	1.6
67.01858	0.5
71.01376	1.6
75.00895	0.4
81.03468	0.4
85.02939	8.8
87.00842	1.9
93.03449	2.9
96.96002	0.8
98.20627	1.0
109.02952	0.8
111.04521	1.1
111.08080	0.4
113.02422	0.7
121.03014	0.4
127.03998	2.5
128.03513	1.2
137.02431	0.5
138.06615	0.4
143.04640	0.9
166.99600	0.4
167.02049	1.1
167.03397	0.8
171.02931	0.6
173.04504	1.4
173.08115	0.5
191.05582	100.0
192.05939	3.9
193.06102	1.4
254.07881	0.8
272.08893	1.1
432.76294	0.4
510.21179	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	509.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.5
57.03436	2.5
58.00568	3.2
58.93529	0.9
59.01372	48.2
69.03436	2.6
70.00884	0.8
71.01373	61.6
71.61079	1.3
72.99294	2.0
73.02941	23.9
75.00849	1.7
81.03436	1.3
83.01372	5.5
85.02940	21.4
86.00056	3.2
87.00867	50.1
87.11913	1.0
89.02432	48.1
95.01337	2.2
96.95994	1.5
97.02956	5.3
97.06552	3.0
99.00848	5.0
99.04510	2.2
101.02428	29.1
109.02814	1.0
111.00832	2.6
113.02431	13.5
115.03981	1.5
119.03490	5.0
125.02473	4.5
127.03951	2.5
129.01959	1.5
131.03474	15.5
135.04430	1.1
141.01886	3.4
143.03461	2.5
149.04535	17.9
153.09073	0.9
155.10675	1.1
159.02933	2.3
161.04486	4.7
173.04468	1.0
191.05591	9.0
199.09705	1.9
233.06651	2.2
243.12306	15.7
254.42236	1.0
293.08615	2.5
305.15909	1.1
333.15570	7.9
335.16904	3.7
347.17017	5.0
465.19626	3.2
509.18460	100.0
510.18872	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	509.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51003	0.3
59.01373	1.6
67.01858	0.5
71.01376	1.6
75.00895	0.4
81.03468	0.4
85.02939	8.8
87.00842	1.9
93.03449	2.9
96.96002	0.8
98.20627	1.0
109.02952	0.8
111.04521	1.1
111.08080	0.4
113.02422	0.7
121.03014	0.4
127.03998	2.5
128.03513	1.2
137.02431	0.5
138.06615	0.4
143.04640	0.9
166.99600	0.4
167.02049	1.1
167.03397	0.8
171.02931	0.6
173.04504	1.4
173.08115	0.5
191.05582	100.0
192.05939	3.9
193.06102	1.4
254.07881	0.8
272.08893	1.1
432.76294	0.4
510.21179	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	509.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01368	3.3
61.98820	50.9
69.35948	2.4
71.01350	2.2
71.05028	0.5
72.99301	1.0
73.02937	0.6
75.00861	39.5
81.03470	0.8
83.01351	0.3
85.02939	1.2
87.00851	2.4
87.04504	0.5
89.02431	0.5
97.02962	0.4
98.20583	0.5
99.00909	0.4
99.04493	0.6
101.02413	1.2
107.01373	0.8
108.01505	0.3
108.02139	1.7
113.02412	0.6
123.04501	1.3
123.52493	0.3
125.02427	0.7
133.02930	4.7
134.03627	0.5
134.20923	0.3
141.12801	0.5
143.03427	0.8
145.46770	0.3
146.20268	0.3
149.02382	1.4
151.00356	3.0
152.01143	2.3
161.02429	0.9
161.04559	1.9
162.02719	0.3
167.03462	6.9
171.13902	0.8
172.19620	0.3
175.04008	2.3
179.05666	0.4
185.11798	7.1
191.07086	0.4
199.03969	1.7
199.13388	2.7
209.11732	0.4
211.53616	0.3
213.05522	0.5
217.04993	1.2
227.12852	2.4
235.06119	0.6
239.40836	0.3
241.05103	0.7
243.02924	0.5
257.04587	0.5
284.03201	0.7
285.03995	100.0
323.09723	0.6
333.11859	0.5
341.10779	1.0
447.09238	14.6
491.21350	0.7
509.22333	52.6
509.29102	2.7
509.65936	0.3
510.22632	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	509.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07541	1.8
55.01873	4.6
57.03424	3.5
57.84046	1.8
58.00584	2.5
59.01093	3.3
59.01371	50.9
61.98525	2.2
61.98824	39.5
68.99818	3.4
69.03441	2.8
71.01372	38.2
71.62752	2.7
72.99293	8.0
73.02931	15.0
75.00864	19.2
81.03456	4.4
83.01369	8.6
85.02941	26.9
87.00863	18.6
89.02435	14.8
93.03442	51.4
95.01369	8.2
95.04982	2.0
97.02945	2.9
99.00880	4.5
99.04513	3.9
101.02434	35.6
108.02135	2.6
109.02917	2.8
111.04450	4.8
113.02431	19.8
119.03462	6.5
119.04999	3.0
121.02940	6.1
121.06612	9.8
123.04510	14.0
125.02427	2.7
129.01907	2.1
132.02174	2.8
133.02956	11.6
134.03699	8.3
135.04512	19.8
137.02429	61.8
137.09709	12.3
139.00310	3.2
139.03932	2.1
141.79407	2.0
143.03468	4.3
147.02991	2.9
147.04398	2.8
149.02467	2.2
149.06067	16.4
151.03922	6.0
152.01076	3.4
153.01868	3.9
153.05547	2.2
155.03426	2.5
155.09523	3.5
155.10756	43.0
159.04451	3.7
160.01643	5.5
161.02438	31.9
161.04523	31.8
162.02776	2.2
165.05508	5.3
167.03493	13.0
173.04524	26.8
175.03938	7.9
179.03517	9.5
179.05553	4.7
179.10696	2.8
181.07147	3.0
181.08591	4.4
183.10210	7.0
185.11827	4.0
189.12456	1.8
191.05571	6.7
193.04990	5.8
195.06612	2.3
199.09714	22.8
202.98973	1.9
205.07051	3.0
209.04532	14.2
223.09740	9.2
227.16194	2.0
241.10822	3.7
271.11789	2.6
282.35071	2.4
283.06076	2.7
284.03232	2.3
285.04276	2.3
297.04013	3.2
298.04797	3.6
298.08273	3.7
299.05557	4.3
301.12997	4.7
311.11237	7.9
313.10806	2.5
315.10706	2.3
317.10196	2.8
325.11362	5.9
327.05026	33.1
343.12418	10.0
347.17044	100.0
348.17178	3.9
353.08789	2.1
357.05984	7.5
361.14716	5.3
400.12729	22.7
400.62677	6.6
419.15466	3.0
422.11945	4.4
422.62219	2.9
438.51453	2.3
447.09204	25.2
449.16513	7.2
449.23578	3.2
461.16962	2.2
465.14001	2.8
473.16373	3.8
491.15674	2.5
509.12814	12.5
509.21860	65.5
510.22806	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	509.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07541	1.8
55.01873	4.6
57.03424	3.5
57.84046	1.8
58.00584	2.5
59.01093	3.3
59.01371	50.9
61.98525	2.2
61.98824	39.5
68.99818	3.4
69.03441	2.8
71.01372	38.2
71.62752	2.7
72.99293	8.0
73.02931	15.0
75.00864	19.2
81.03456	4.4
83.01369	8.6
85.02941	26.9
87.00863	18.6
89.02435	14.8
93.03442	51.4
95.01369	8.2
95.04982	2.0
97.02945	2.9
99.00880	4.5
99.04513	3.9
101.02434	35.6
108.02135	2.6
109.02917	2.8
111.04450	4.8
113.02431	19.8
119.03462	6.5
119.04999	3.0
121.02940	6.1
121.06612	9.8
123.04510	14.0
125.02427	2.7
129.01907	2.1
132.02174	2.8
133.02956	11.6
134.03699	8.3
135.04512	19.8
137.02429	61.8
137.09709	12.3
139.00310	3.2
139.03932	2.1
141.79407	2.0
143.03468	4.3
147.02991	2.9
147.04398	2.8
149.02467	2.2
149.06067	16.4
151.03922	6.0
152.01076	3.4
153.01868	3.9
153.05547	2.2
155.03426	2.5
155.09523	3.5
155.10756	43.0
159.04451	3.7
160.01643	5.5
161.02438	31.9
161.04523	31.8
162.02776	2.2
165.05508	5.3
167.03493	13.0
173.04524	26.8
175.03938	7.9
179.03517	9.5
179.05553	4.7
179.10696	2.8
181.07147	3.0
181.08591	4.4
183.10210	7.0
185.11827	4.0
189.12456	1.8
191.05571	6.7
193.04990	5.8
195.06612	2.3
199.09714	22.8
202.98973	1.9
205.07051	3.0
209.04532	14.2
223.09740	9.2
227.16194	2.0
241.10822	3.7
271.11789	2.6
282.35071	2.4
283.06076	2.7
284.03232	2.3
285.04276	2.3
297.04013	3.2
298.04797	3.6
298.08273	3.7
299.05557	4.3
301.12997	4.7
311.11237	7.9
313.10806	2.5
315.10706	2.3
317.10196	2.8
325.11362	5.9
327.05026	33.1
343.12418	10.0
347.17044	100.0
348.17178	3.9
353.08789	2.1
357.05984	7.5
361.14716	5.3
400.12729	22.7
400.62677	6.6
419.15466	3.0
422.11945	4.4
422.62219	2.9
438.51453	2.3
447.09204	25.2
449.16513	7.2
449.23578	3.2
461.16962	2.2
465.14001	2.8
473.16373	3.8
491.15674	2.5
509.12814	12.5
509.21860	65.5
510.22806	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	509.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.4
57.03433	2.4
59.01097	1.8
59.01372	25.8
61.98577	0.9
61.98824	11.1
67.01870	1.3
69.03450	1.4
69.72715	3.8
71.01373	26.9
72.99288	2.4
73.02943	15.6
75.00868	11.7
81.03456	3.4
83.01384	6.6
85.02941	18.0
86.00079	1.9
87.00863	11.5
89.02435	7.5
93.03446	14.2
95.01373	2.5
97.02921	0.9
98.12816	0.8
99.00868	4.8
99.04522	3.1
100.06253	0.8
101.01766	1.6
101.02435	32.3
108.02150	0.9
109.02943	2.0
111.00854	1.8
111.04494	2.8
113.02436	11.0
119.03486	2.2
121.02917	1.4
121.06560	2.3
123.04497	2.8
125.02392	1.6
131.03493	1.1
133.02925	4.5
134.03706	3.3
135.04497	8.2
136.01604	2.3
137.02422	12.8
137.09735	4.9
139.00356	1.2
143.03426	1.6
145.02859	1.1
147.03003	1.2
149.02452	1.8
149.06062	16.3
150.03110	0.9
151.03987	2.9
153.05516	1.5
155.10759	11.9
159.02959	0.9
160.01636	1.6
161.02505	6.4
161.04536	17.3
163.06111	1.6
165.05542	1.3
167.03493	2.1
169.18459	0.8
173.04532	10.1
175.03972	4.3
179.03412	4.8
179.05640	1.4
181.08588	1.2
183.10237	4.0
185.11801	3.1
191.05588	3.7
193.04959	2.1
195.06570	1.4
197.11995	1.2
199.09735	9.1
209.04523	3.4
223.09688	2.9
225.05525	1.1
241.10710	1.3
284.03195	2.3
285.03964	1.6
297.03891	2.9
298.04709	2.6
298.08200	1.5
299.05472	3.8
301.12830	2.3
311.08688	0.8
311.11374	7.2
313.10703	1.7
315.10852	1.2
325.11435	4.2
327.05023	21.8
335.68829	0.9
339.05280	1.3
343.12335	1.0
347.17047	100.0
348.17242	6.2
354.16599	0.9
357.06067	5.7
357.10010	1.0
357.11789	1.0
400.12497	5.5
400.62680	1.1
401.13239	1.1
422.12573	1.2
447.03204	1.3
447.09274	19.7
473.16235	1.6
507.94846	1.0
509.14218	2.9
509.22641	67.2
510.23590	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	509.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03436	1.3
58.00581	0.8
59.01373	53.6
61.98816	4.1
66.13113	0.5
69.03439	0.9
71.01376	14.0
71.62460	0.6
72.99301	1.1
73.02947	3.6
76.60963	0.5
81.03458	0.9
82.95401	2.0
83.01375	2.2
85.02946	7.5
87.00871	3.0
87.02734	0.7
87.26812	0.5
89.02434	8.0
95.01369	2.0
96.95994	1.1
97.02920	0.6
99.00871	1.2
99.04533	0.7
101.02431	13.5
107.05013	0.6
108.02166	0.5
109.02930	0.7
111.00880	0.5
111.04519	0.5
113.02425	6.1
119.03499	2.9
119.05001	0.7
120.99660	0.5
121.02950	1.2
122.03764	0.7
123.00865	2.6
123.04504	3.0
124.01689	4.2
125.02463	9.0
126.02768	2.2
127.02888	1.4
133.02937	1.1
134.03708	1.8
135.04425	2.1
137.02414	1.5
149.02428	1.2
149.04556	0.9
149.99551	7.6
150.99953	2.1
151.03935	0.7
152.00056	1.7
153.09218	0.9
157.12273	0.7
160.01640	2.3
161.02458	2.9
161.04533	1.9
162.02097	0.9
163.03932	0.8
164.04768	21.8
165.05116	0.9
167.03552	0.8
168.00641	11.5
169.00992	5.9
170.01082	4.2
173.04541	1.1
175.03960	2.9
176.04436	0.7
177.04500	0.5
178.02748	0.5
179.03503	1.4
179.07109	23.7
180.07455	0.9
191.03453	1.3
191.05577	1.0
193.04964	2.3
203.12987	0.7
206.05779	1.4
221.08186	4.0
244.33636	0.5
259.13721	1.1
267.19580	0.9
285.04004	5.5
285.16977	0.9
287.13083	0.9
287.17151	0.6
287.22089	1.8
293.08777	1.6
327.04965	1.2
329.23306	1.1
331.06604	0.9
332.07004	1.7
333.07214	2.7
345.13687	0.6
347.24258	1.4
357.13232	1.1
357.52679	0.5
375.14282	2.3
400.12363	0.7
400.62860	0.6
421.13156	3.0
447.09247	1.8
449.27557	2.3
473.16608	8.2
491.28564	1.9
503.33630	0.6
509.11920	38.3
509.29550	100.0
510.12302	2.5
510.29877	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	509.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03436	1.3
58.00581	0.8
59.01373	53.6
61.98816	4.1
66.13113	0.5
69.03439	0.9
71.01376	14.0
71.62460	0.6
72.99301	1.1
73.02947	3.6
76.60963	0.5
81.03458	0.9
82.95401	2.0
83.01375	2.2
85.02946	7.5
87.00871	3.0
87.02734	0.7
87.26812	0.5
89.02434	8.0
95.01369	2.0
96.95994	1.1
97.02920	0.6
99.00871	1.2
99.04533	0.7
101.02431	13.5
107.05013	0.6
108.02166	0.5
109.02930	0.7
111.00880	0.5
111.04519	0.5
113.02425	6.1
119.03499	2.9
119.05001	0.7
120.99660	0.5
121.02950	1.2
122.03764	0.7
123.00865	2.6
123.04504	3.0
124.01689	4.2
125.02463	9.0
126.02768	2.2
127.02888	1.4
133.02937	1.1
134.03708	1.8
135.04425	2.1
137.02414	1.5
149.02428	1.2
149.04556	0.9
149.99551	7.6
150.99953	2.1
151.03935	0.7
152.00056	1.7
153.09218	0.9
157.12273	0.7
160.01640	2.3
161.02458	2.9
161.04533	1.9
162.02097	0.9
163.03932	0.8
164.04768	21.8
165.05116	0.9
167.03552	0.8
168.00641	11.5
169.00992	5.9
170.01082	4.2
173.04541	1.1
175.03960	2.9
176.04436	0.7
177.04500	0.5
178.02748	0.5
179.03503	1.4
179.07109	23.7
180.07455	0.9
191.03453	1.3
191.05577	1.0
193.04964	2.3
203.12987	0.7
206.05779	1.4
221.08186	4.0
244.33636	0.5
259.13721	1.1
267.19580	0.9
285.04004	5.5
285.16977	0.9
287.13083	0.9
287.17151	0.6
287.22089	1.8
293.08777	1.6
327.04965	1.2
329.23306	1.1
331.06604	0.9
332.07004	1.7
333.07214	2.7
345.13687	0.6
347.24258	1.4
357.13232	1.1
357.52679	0.5
375.14282	2.3
400.12363	0.7
400.62860	0.6
421.13156	3.0
447.09247	1.8
449.27557	2.3
473.16608	8.2
491.28564	1.9
503.33630	0.6
509.11920	38.3
509.29550	100.0
510.12302	2.5
510.29877	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	509.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72379	0.3
56.09142	0.3
59.01372	100.0
60.01739	0.3
61.98824	2.9
71.01382	5.0
71.27863	0.6
72.99310	0.5
73.02927	1.9
78.95899	0.9
81.03434	0.4
83.01405	0.4
85.02935	2.4
87.00889	0.4
88.35840	0.3
89.02445	2.7
95.01399	0.7
99.00889	0.5
101.02414	2.9
107.05030	0.6
113.02438	3.1
119.03510	0.6
143.03520	0.5
149.74796	0.3
152.99594	0.6
161.02469	0.6
161.04572	1.5
165.09157	0.4
222.82785	0.3
262.87701	0.4
263.14154	0.4
277.21655	0.5
295.22821	1.4
329.54810	0.3
345.22055	2.3
377.24863	1.3
421.23828	0.7
435.48859	0.3
449.29236	1.4
467.30154	2.3
491.24310	1.7
509.33084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54789	0.5
59.01366	1.4
59.06712	0.5
61.98820	6.5
65.00329	0.6
71.62528	1.1
75.00851	2.4
77.29458	0.6
85.02963	0.9
87.14007	0.5
89.02452	1.4
103.45149	0.6
106.06609	0.6
107.67638	0.7
113.02428	0.7
124.48150	0.7
125.02417	0.6
133.02939	6.0
135.04480	1.8
149.02414	0.7
150.05522	0.7
150.54893	0.5
151.00388	3.0
161.02420	18.5
175.03925	0.9
179.03459	1.7
197.57907	0.6
199.03990	1.2
217.05185	0.7
217.58479	0.6
221.04510	0.8
243.03059	0.7
256.03720	2.3
281.06680	0.7
284.03217	45.0
285.03989	95.2
286.04376	5.7
327.05029	1.0
349.14978	1.5
447.09253	100.0
448.09558	8.1
509.22220	1.9
510.15997	0.9
510.22705	1.7
511.17999	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	510.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70214	0.6
51.60914	0.4
54.57637	0.5
56.06131	0.5
59.01385	2.5
61.98557	0.6
61.98821	6.2
69.03428	0.6
69.38932	4.0
71.01359	1.9
73.02918	0.7
77.03933	0.7
80.01896	0.5
83.01382	0.7
84.53089	0.5
85.02949	0.7
89.02427	1.2
93.03433	2.0
101.02413	1.8
109.02930	1.7
111.04510	0.8
113.02428	1.4
119.04996	1.0
121.02940	1.1
123.00847	0.6
123.04500	1.0
125.02428	1.0
133.02020	0.8
133.02940	9.8
134.03694	0.6
135.04459	2.4
137.02470	0.6
147.04520	1.3
149.02399	1.5
156.11058	0.5
161.02458	3.2
163.00351	1.5
163.03925	2.6
165.01927	1.7
173.02415	0.8
173.04489	4.4
175.03958	4.5
179.03423	0.9
183.10144	0.8
191.03470	1.6
191.05397	0.5
193.01416	1.2
199.03944	1.3
201.01929	1.0
213.05556	1.3
231.06546	0.7
240.04414	0.6
241.04941	1.0
253.05049	1.1
255.02911	0.7
255.06633	0.6
269.04471	0.8
281.04309	0.8
283.06015	0.6
284.03250	8.9
285.03992	7.5
297.04019	14.9
298.04745	9.1
299.05576	17.6
299.09027	1.0
303.03574	0.5
309.04013	0.9
310.88928	0.5
311.05490	2.4
325.03448	1.2
325.11090	0.7
327.05042	100.0
328.05389	5.1
339.05072	3.4
341.06454	1.3
343.57571	0.6
347.17325	0.7
357.06097	27.2
358.06519	1.6
369.06024	2.4
393.06189	1.4
400.62836	0.9
422.61923	0.7
447.09262	91.3
448.09607	6.7
509.22656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72702	0.3
57.29331	0.3
59.01368	3.3
61.98823	100.0
65.52085	0.3
70.89542	0.3
71.01375	3.3
71.16713	0.3
71.61531	0.5
73.02950	0.9
81.33961	0.3
81.38822	0.3
85.02964	1.1
89.02439	3.8
96.96013	0.7
99.00889	1.7
99.04530	0.4
101.02454	2.0
113.02431	1.9
123.04568	0.6
131.03502	0.4
135.04497	2.4
141.53647	0.3
149.04601	0.8
151.04034	0.3
161.02458	0.3
161.04604	0.4
191.05644	0.9
217.81683	0.3
221.04457	0.4
221.82867	0.4
232.43245	0.3
265.31522	0.3
271.06088	0.7
286.08667	0.7
301.10883	1.3
315.10818	0.5
349.13232	0.5
447.15005	26.4
448.15408	2.3
474.13516	0.5
475.14374	0.3
511.21506	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	510.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90632	0.3
55.75714	0.2
59.01376	2.7
61.98822	100.0
69.32494	1.1
69.32926	1.1
71.01369	2.4
73.02954	0.5
78.54760	0.2
85.02947	0.7
89.02428	3.4
92.99353	0.2
98.19885	0.4
99.00876	2.4
101.02442	1.4
101.28255	0.3
113.02457	1.0
119.03456	0.2
126.47085	0.3
131.03485	0.6
135.04507	2.4
135.74393	0.3
149.04559	0.6
153.05536	0.3
156.71739	0.3
161.02365	0.3
161.04544	0.3
191.05560	0.7
271.06168	0.9
286.08585	1.0
301.10818	1.7
315.10956	0.3
349.12625	0.5
447.15005	25.4
448.15363	1.7
511.20590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01374	13.6
61.98822	2.6
65.03944	0.4
66.90018	0.4
67.01881	0.7
67.36845	0.3
69.03451	0.6
69.47204	0.4
69.47538	3.3
71.01365	1.2
73.02943	0.5
74.18147	0.4
75.00839	0.4
78.88187	0.4
81.03468	0.7
82.02977	1.6
83.01366	0.7
83.05019	1.3
85.02940	6.8
88.04057	0.7
89.02429	0.5
93.03445	7.4
94.02980	0.6
94.06593	0.8
95.05011	0.7
96.95973	0.5
101.02418	0.9
106.06622	0.4
107.04991	0.8
108.04559	1.4
109.02953	1.1
111.00880	0.9
111.04514	6.7
112.04052	1.2
116.92865	1.2
119.05008	0.7
120.04586	0.4
121.02934	0.8
122.03716	1.0
123.04512	69.9
124.04029	0.7
124.04811	2.1
125.06074	0.8
127.03986	2.7
133.02997	0.8
134.02473	0.8
134.06097	0.5
135.04517	2.5
137.02434	9.4
138.05605	2.2
140.07112	0.6
144.06653	2.4
144.07759	0.4
148.07603	0.6
152.03508	1.0
153.05556	100.0
154.05911	2.8
160.03848	0.4
161.02451	1.4
162.05708	0.5
163.04024	0.8
164.07167	2.6
166.05069	2.9
167.07076	1.0
170.08195	2.3
176.07156	2.3
177.05576	0.5
178.05002	0.7
178.08717	1.0
179.03453	2.0
179.07185	0.6
181.04895	0.4
182.04555	2.0
192.06631	0.7
194.08177	1.2
195.06566	1.4
196.06108	1.0
206.08202	0.9
208.06221	0.6
208.09769	1.9
220.09685	0.5
221.04469	0.5
232.06067	0.9
238.10818	2.8
240.08926	0.5
250.07092	0.9
253.92679	0.4
264.08749	0.6
273.07645	5.3
282.09802	12.7
283.10361	0.5
284.03156	0.6
285.04083	2.3
314.12415	8.5
315.08749	4.0
318.09839	0.6
324.10931	0.7
333.09772	0.9
342.11942	2.3
350.12292	2.8
351.88046	0.5
374.15009	0.5
375.10843	0.6
418.15033	7.2
419.15399	0.9
436.16162	4.2
447.09241	1.4
448.62991	0.4
450.17673	2.3
451.28714	0.5
468.49866	0.4
478.17001	0.9
510.20071	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	510.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98821	100.0
69.41840	1.8
71.01382	0.6
74.63071	0.2
89.02434	0.8
96.96017	0.3
100.12495	0.2
101.02404	0.3
107.05071	0.2
109.64851	0.2
112.98546	0.3
116.92863	0.4
133.02995	0.2
135.04529	0.5
138.29868	0.2
160.71088	0.2
161.02373	0.5
179.03593	0.3
195.06607	0.5
342.77948	0.2
450.23087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52803	0.2
59.01371	0.7
61.98824	100.0
66.80832	0.2
69.54197	0.7
69.54623	0.7
71.01423	0.2
98.20717	0.2
117.52357	0.2
135.04503	1.4
136.04857	0.6
161.02377	0.4
272.19687	0.2
510.21542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.1
61.98823	100.0
67.20110	0.5
69.60728	0.4
71.61901	0.7
75.30190	0.5
78.95928	0.5
89.75166	0.5
95.55801	0.5
113.00147	0.5
152.99561	0.9
251.43111	0.5
373.86365	0.5
537.48346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
69.47308	3.4
98.19868	1.1
106.00701	0.5
167.98091	0.5
212.59541	0.6
234.33269	0.5
284.03220	0.7
285.04010	1.5
447.09399	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	510.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04369	0.2
61.98824	100.0
67.85883	0.2
81.96791	0.2
101.02502	0.2
102.13378	0.2
112.92779	0.2
133.75005	0.2
285.04047	0.6
438.26761	0.2
447.09567	0.7
453.33960	0.6
459.69931	0.2
481.81168	0.2
511.29337	1.0
532.08777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57944	0.8
96.95959	0.6
112.80402	0.6
113.06071	72.2
114.06364	1.2
142.25641	0.7
157.05037	100.0
158.05380	1.9
160.33459	0.6
173.04495	1.1
179.03366	0.9
191.05574	18.8
288.23730	0.7
353.08752	2.6
423.52826	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	511.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20953	1.1
55.01842	1.5
59.01379	9.0
61.98815	6.9
65.03959	2.2
66.79385	1.0
69.03427	1.3
70.68105	2.3
71.01382	9.3
73.02938	2.1
74.71635	1.0
77.67909	1.1
81.03465	2.7
83.01339	2.0
83.05013	9.2
84.06721	1.0
85.02945	3.4
89.02419	3.8
93.03448	100.0
94.03785	2.7
96.95975	4.1
99.00886	1.2
101.02431	6.2
105.01915	1.5
109.02936	4.3
111.00872	1.2
111.04506	31.6
113.02438	4.2
117.03455	2.4
123.04504	6.8
127.04061	1.2
132.02126	5.9
133.02959	3.6
134.03722	24.3
135.04553	6.2
136.47432	1.3
137.02423	49.7
137.09712	5.9
139.04018	2.0
145.02826	1.5
147.04466	2.0
148.05276	1.3
149.06094	5.4
153.01897	2.2
153.05577	10.0
155.03493	16.6
155.10762	69.7
156.11053	1.5
160.01648	29.4
160.02983	1.8
161.02457	12.4
161.04532	1.2
173.04550	3.4
175.03975	47.5
176.04832	5.5
178.02698	2.5
179.03401	4.1
191.05527	1.6
191.07097	6.4
193.05025	32.6
195.02884	2.1
199.09721	32.5
207.06645	2.4
211.06108	4.3
217.04890	2.1
218.67888	1.3
233.04454	1.5
235.06091	14.4
243.84247	1.1
251.46385	1.2
255.04947	2.0
265.07138	8.8
276.02243	1.0
295.08200	13.5
296.08502	1.5
315.10773	4.2
323.07767	6.1
335.09909	1.3
337.05219	2.3
337.09244	36.2
338.09509	2.1
355.10287	6.2
363.16537	19.1
375.12592	1.2
451.25256	5.1
467.15598	14.8
467.21951	2.1
473.16113	2.4
475.12302	9.2
511.14127	6.7
511.20514	35.8
512.13800	1.7
512.20740	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	511.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.7
59.01375	20.0
61.98824	2.0
62.76392	0.5
71.01375	15.9
71.01762	1.2
71.61069	0.9
72.99297	0.8
73.02941	4.2
83.01392	1.2
85.02940	5.8
87.00865	4.8
89.02428	16.8
95.01384	1.9
96.95999	1.1
99.00868	2.2
99.04507	100.0
100.04849	2.1
101.02435	15.1
113.02442	8.0
119.03482	6.3
131.03456	0.8
136.01646	1.1
143.03487	1.0
147.02980	2.6
149.02362	1.4
150.03229	0.8
151.03976	1.1
161.02412	0.6
161.04517	3.6
164.04735	0.9
165.05554	1.3
167.61787	0.5
179.05569	1.5
179.06990	0.5
183.10291	0.5
193.04990	0.6
195.06613	1.0
197.29343	0.5
263.11295	2.8
282.09103	0.8
289.20023	0.6
295.72165	0.5
301.10739	1.4
313.10825	2.0
319.17664	0.7
345.15536	4.7
363.16553	67.0
364.16901	3.9
451.25177	1.4
511.20251	91.8
512.20734	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	511.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
57.03439	2.0
58.00571	1.3
59.01369	25.2
66.67365	1.0
69.03444	2.0
70.92172	1.2
70.92496	1.5
71.01374	33.8
73.02943	13.6
79.17191	1.1
81.03449	0.9
83.01385	2.7
85.02941	10.8
86.00129	0.9
87.00864	27.0
89.02435	21.3
93.03471	0.9
95.01379	1.8
95.04964	0.9
97.02940	3.0
99.00861	3.6
99.04526	0.9
100.87107	0.7
101.02422	13.5
107.05032	1.4
111.00894	5.3
113.02434	7.6
118.22479	0.8
119.05010	100.0
120.05347	2.1
121.02942	1.6
122.85085	0.8
123.08167	5.5
125.02439	3.0
127.04002	1.6
131.03467	6.8
135.04451	1.9
141.01907	2.1
143.03445	2.0
149.04547	7.4
161.04523	2.1
163.03989	92.9
164.04355	2.4
179.03487	7.0
187.13396	1.1
191.05652	3.6
198.21344	0.9
199.06041	1.3
211.06169	1.6
233.06725	1.3
245.13861	6.9
293.08698	0.9
307.17593	1.0
335.17072	3.4
349.12781	1.7
386.35648	1.0
398.32315	0.9
467.21521	2.2
511.20126	64.7
512.20624	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	511.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97654	1.3
57.03423	3.6
59.01093	2.8
59.01374	50.6
59.57138	1.5
61.98828	11.6
66.71610	1.4
71.01369	37.3
71.62353	2.8
72.99300	2.3
73.02924	6.3
73.24586	1.4
75.00861	15.6
83.01366	2.2
85.02950	10.1
87.00874	21.4
89.02433	46.2
89.02986	2.8
95.01382	1.9
96.95993	6.3
99.00871	2.3
99.04506	58.6
101.02428	26.6
105.01909	2.1
111.00859	3.2
113.02431	16.8
113.06112	1.5
119.03487	15.3
120.99607	1.8
129.01932	8.7
131.03464	2.8
134.03789	1.6
135.04504	3.8
136.85248	1.6
137.14168	1.4
143.03447	2.8
144.95296	1.5
147.02971	7.6
155.10748	2.2
161.04514	4.5
165.05524	3.3
167.03384	2.1
179.03554	2.1
179.05576	9.9
181.18068	1.7
183.10236	11.2
193.05070	1.8
201.11284	3.6
214.97287	1.5
238.99739	1.5
309.08206	90.5
310.08618	3.3
363.16449	6.5
451.25098	2.8
511.20251	100.0
512.20520	5.9
527.47156	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.5
60.34016	0.4
64.49423	0.4
69.03452	0.5
71.01368	2.0
73.02959	1.0
85.02945	1.1
87.00875	1.5
89.02451	1.6
90.62717	0.5
96.96005	0.9
99.00861	0.4
101.02450	1.1
109.03002	0.5
111.04559	0.4
113.02431	1.2
114.34054	0.4
119.03519	0.6
135.04453	0.5
135.08176	0.4
137.09705	8.3
142.99651	0.4
147.02963	0.9
153.01944	1.0
155.10764	100.0
156.11101	2.6
161.02458	0.6
173.04610	0.6
181.07172	3.4
181.08681	0.7
193.05089	0.5
199.09732	50.4
200.10110	1.3
211.06058	0.5
229.58818	0.4
267.75058	0.4
363.16562	32.3
364.16995	2.3
383.66812	0.4
511.20276	48.4
512.20532	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	511.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03433	0.9
58.00578	1.0
59.01372	18.5
61.56097	0.7
61.98825	2.0
71.01376	15.9
71.18456	1.6
72.99319	1.3
73.02942	5.9
75.00868	2.7
79.05515	1.6
83.01376	3.0
85.02937	5.4
87.00862	19.0
89.02431	14.5
95.01388	1.0
96.95996	1.9
97.06617	1.3
99.00873	2.4
99.04509	63.6
101.02431	14.0
105.01939	2.0
108.02169	0.8
109.02960	3.4
113.02436	7.2
113.06071	2.3
119.03476	5.0
120.99676	1.1
123.04485	1.6
129.01904	0.9
133.02896	0.8
134.03722	1.1
135.04501	2.8
141.05589	7.5
143.03546	1.3
144.02469	0.7
145.82816	0.7
147.02953	2.2
150.03207	1.7
151.04048	1.7
153.01938	5.5
155.10788	0.9
161.02443	1.8
161.04514	2.5
165.05501	1.4
167.03448	1.0
171.06534	0.9
177.05769	0.8
179.03459	1.5
179.05547	1.1
183.10217	2.2
193.04918	1.1
201.11305	0.9
225.11238	1.4
232.19029	0.7
263.11285	2.3
297.06094	3.1
303.48190	0.8
309.08258	7.7
311.07782	1.3
329.14777	0.6
345.15463	6.7
349.09509	0.7
353.08734	1.2
363.16568	39.3
364.16754	1.9
383.09918	1.5
390.19968	0.7
413.10751	1.3
511.20279	100.0
512.20465	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	511.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
59.16882	0.6
61.98825	11.7
67.01904	0.5
68.99818	1.6
69.38858	4.1
70.61325	0.6
71.01377	1.6
73.02943	0.5
75.00861	0.9
81.03432	1.1
85.02934	3.5
93.03443	1.9
95.01376	1.6
98.06001	0.6
101.02418	3.5
107.05023	0.7
108.02161	76.8
109.02950	26.2
109.03535	0.4
111.00848	3.3
111.04549	0.6
113.02470	0.7
121.02940	1.1
123.00865	1.1
123.04523	1.2
125.02419	1.0
127.04018	1.7
133.02968	0.9
135.00867	0.7
135.04500	2.2
137.02429	1.2
137.05962	0.6
139.00346	1.3
151.03981	1.7
152.01137	54.1
153.01927	15.6
153.05566	0.9
161.04558	0.5
163.04028	1.3
165.01959	0.7
171.02945	0.8
179.03491	0.8
183.13858	1.2
195.13806	0.7
211.06111	1.5
213.14943	4.4
232.42690	0.5
250.46198	0.5
275.05627	0.6
285.03836	0.8
291.08673	5.8
307.08173	1.2
315.07520	1.0
317.10309	1.4
511.21768	100.0
512.22058	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	511.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.38969	0.4
69.56567	2.6
71.01364	1.2
73.02925	0.6
74.71561	0.4
85.02917	0.7
89.02431	0.7
93.03431	1.4
95.04997	0.5
111.00864	0.6
117.03445	0.5
119.05013	100.0
120.05335	2.6
123.08156	0.9
135.04506	0.5
163.03987	95.0
164.04367	3.2
190.11090	0.4
264.96432	0.4
281.62070	0.4
289.01453	0.4
511.19397	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	511.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00563	0.3
59.01374	2.5
62.05169	0.2
67.01876	0.3
67.66136	0.2
68.99807	0.3
71.01378	2.2
73.02946	0.6
75.00893	0.4
76.33412	0.3
81.03448	0.2
85.02955	0.7
87.10217	0.3
89.02427	1.5
93.03487	0.6
95.01360	0.4
95.05004	1.0
99.00872	0.4
101.02448	1.9
107.05005	0.3
108.02161	0.4
111.00864	1.0
111.04458	0.3
113.02457	0.9
119.03477	0.6
119.87521	0.3
121.03000	0.4
122.03720	1.0
123.04514	71.4
124.04840	1.3
127.04010	0.4
135.04526	2.1
137.02431	0.4
139.00374	0.5
149.04568	0.7
153.05559	100.0
154.05872	2.9
165.01848	0.3
195.06541	0.3
197.04547	0.8
206.39986	0.2
213.14955	0.9
229.26236	0.3
273.07648	0.3
275.05481	0.3
291.08820	0.7
297.09802	1.6
307.08157	0.8
315.11020	1.6
442.59949	0.3
511.25458	6.0
512.25793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	18.9
61.98817	9.2
69.92850	18.3
71.01360	4.7
72.99306	4.3
84.65726	3.8
91.31052	4.0
92.86581	3.8
93.03422	3.7
96.96003	32.7
101.02413	4.1
119.03469	3.5
135.04463	5.3
137.02425	11.4
139.01134	3.7
146.65355	4.6
155.69963	3.6
161.02408	8.3
171.10263	10.1
293.21066	6.2
309.84674	4.0
311.22217	100.0
312.22427	5.0
383.34717	4.5
475.28903	4.7
511.26733	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35089	0.3
56.35554	0.4
59.01371	37.3
65.18703	0.3
70.55677	0.8
70.56024	0.4
80.01149	0.4
81.03448	2.6
83.05013	9.1
108.04543	0.4
125.07138	1.0
161.98778	0.4
181.89612	0.4
196.36830	0.4
207.14944	1.5
224.17705	2.2
225.16046	8.1
248.72911	0.5
267.93002	0.4
269.70840	0.4
279.16568	0.5
309.21713	0.3
317.25989	0.4
324.26495	1.1
333.22879	2.4
351.23920	1.1
367.27066	1.1
433.31876	4.4
451.32816	100.0
452.33078	8.6
482.35373	0.4
511.35620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06173	44.0
51.68058	41.0
59.01378	66.5
61.98826	57.6
63.49913	43.4
71.24754	72.0
74.42867	42.9
147.43901	51.4
153.69762	43.9
158.62708	43.1
166.73512	44.8
261.00064	42.1
285.03598	62.4
349.64020	47.2
351.16440	49.1
391.42572	46.1
451.11227	61.3
511.33630	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	513.127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
67.27421	0.3
71.01373	0.6
71.61033	0.6
78.95898	5.8
79.95727	3.1
88.53571	0.3
89.01640	0.3
89.02412	0.4
96.96003	100.0
96.96906	10.4
117.03424	0.4
119.05004	1.2
121.02927	0.4
133.02975	0.4
134.03763	0.3
135.04526	0.4
140.21443	0.3
143.04587	0.5
145.02959	2.8
161.02448	0.7
163.04010	1.3
165.01997	0.5
179.03499	0.6
180.79118	0.4
257.07770	0.4
272.45456	0.3
291.06546	0.9
299.65659	0.3
306.07941	0.5
307.07755	0.8
309.15710	0.4
373.60214	0.4
513.16278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39565	1.0
57.03469	2.1
59.01371	16.7
61.98815	1.3
69.54378	6.5
71.01373	38.0
72.99291	1.7
73.02969	1.9
78.95899	1.2
83.01376	1.8
85.02942	26.4
87.00859	2.5
87.54467	1.1
89.02438	23.5
95.01385	13.0
96.95972	6.0
96.96952	1.8
98.20345	4.5
101.02419	9.5
108.02159	26.1
109.02959	1.7
113.02433	100.0
113.79908	1.2
114.02771	2.5
119.03502	7.6
122.04877	1.1
123.04518	3.1
131.02592	1.2
131.03499	2.8
135.04514	6.1
143.03525	5.8
150.03253	1.6
151.03947	6.3
153.05527	1.7
161.04527	37.0
163.03993	1.7
169.08678	3.4
179.05562	11.6
181.07083	1.9
191.05589	2.6
213.07605	4.9
219.44502	1.1
229.74904	1.2
307.08173	1.4
315.10834	7.3
382.48291	1.4
459.14990	5.9
477.16055	83.8
478.16394	5.1
513.13574	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	513.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90475	0.6
57.03427	1.3
59.01372	11.5
61.98835	1.3
69.23829	1.4
69.24231	5.2
71.01375	20.1
72.99303	0.8
73.02939	0.8
83.01397	0.7
85.02942	16.9
89.02441	10.6
94.98081	0.7
95.01369	6.5
96.96006	4.0
99.00894	0.7
101.02440	6.1
113.02438	38.1
114.02759	0.9
119.03508	3.6
123.04504	6.6
129.39606	0.6
135.04504	24.0
136.99100	0.8
139.00410	0.8
143.03455	1.1
151.03954	0.8
153.05562	5.5
161.04527	4.6
164.24579	0.6
165.05467	0.6
172.51799	0.6
179.05573	1.4
225.24898	0.6
315.10861	5.1
323.09702	0.8
459.14969	1.0
477.16058	100.0
478.16422	8.1
513.16241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53195	0.3
57.03431	0.8
59.01381	2.4
60.99282	0.3
61.78606	0.3
61.98819	8.4
63.99249	0.9
67.01887	3.1
69.03443	0.4
71.01373	3.4
71.62696	0.3
71.63044	0.4
75.00858	3.2
81.03445	0.6
83.05021	0.5
85.02950	0.4
87.00858	0.6
88.97449	0.3
89.03938	0.3
93.03444	20.7
101.02405	0.4
106.13522	0.3
109.02950	0.7
111.00849	0.9
111.04507	4.7
113.02397	0.5
117.03465	1.5
119.05005	0.5
119.58599	0.3
121.38163	0.3
123.04507	0.3
127.03992	0.5
129.01741	0.3
134.03725	16.7
137.02422	5.2
145.02927	1.1
149.06073	1.4
155.03485	4.4
161.02388	0.4
166.03062	0.3
173.04521	100.0
174.04866	1.9
179.03630	0.3
191.05569	1.3
193.05025	15.7
194.05357	0.7
211.16837	0.3
259.05566	0.3
319.08060	0.9
354.08377	0.3
367.10260	44.4
368.10550	2.2
513.13330	0.4
513.26868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1607
Annotation	Phthalocyanine
Peak:m/z	Relative Intensity
58.47742	0.6
58.81616	0.6
59.01362	5.4
61.98294	0.7
61.98814	1.2
66.10282	0.6
71.01367	2.0
71.61405	0.7
76.67394	0.6
89.02423	1.1
94.28225	0.7
96.95998	1.5
97.16107	0.7
101.02425	1.2
108.02164	1.6
109.02940	11.2
111.00868	1.5
113.02371	0.7
114.94843	0.6
123.04529	3.5
124.01642	1.1
133.02907	0.9
135.04510	1.1
135.08060	0.7
139.47569	0.6
151.03978	1.6
152.01157	10.6
153.01921	19.8
153.05571	2.3
153.09192	55.8
154.09549	1.9
160.74150	0.6
161.02431	1.8
167.03452	0.9
169.08766	1.0
189.22882	0.6
195.02954	48.5
196.03287	1.4
197.08167	50.7
198.08495	1.1
204.74879	0.6
225.04118	0.9
255.05064	100.0
256.05444	3.8
315.07083	7.1
315.09863	0.6
372.61115	0.7
513.15332	21.5
514.16260	2.3
514.23425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.4
68.99811	0.8
69.35015	1.2
69.35454	1.3
70.15230	0.3
75.22056	0.3
83.01378	7.1
89.02457	0.3
95.31761	0.3
110.90926	0.3
119.67628	0.3
139.07651	1.1
163.03966	0.7
183.10236	100.0
184.10590	3.6
215.08701	0.3
302.06802	0.3
329.06320	0.8
513.17078	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	1.8
59.01366	2.4
68.32275	0.7
69.84652	1.8
69.85063	1.3
70.02956	0.8
70.07430	0.5
71.01355	1.4
72.00894	3.1
72.04528	0.6
74.02463	5.0
82.02979	7.1
83.01382	1.0
85.02927	0.7
86.02445	2.4
87.05616	2.1
89.02386	0.7
96.04549	4.5
97.04084	1.9
98.02457	3.9
99.05610	5.7
100.00353	0.7
100.04025	2.3
101.00670	3.4
101.02409	1.4
101.07177	1.5
104.03528	19.1
108.04541	5.8
110.02457	1.1
110.06096	2.3
111.05613	2.5
112.04044	6.5
112.07680	1.5
113.03536	1.8
120.72985	0.6
122.06134	2.0
124.04032	4.1
125.03553	1.1
126.05579	9.4
127.05116	2.3
129.06689	21.2
131.04596	0.7
137.07123	0.7
138.05600	0.7
140.03523	1.2
140.07162	3.2
142.03313	0.7
142.05037	0.6
143.04553	0.9
151.05019	1.0
152.03477	1.8
152.07112	2.2
154.05045	2.3
155.08228	5.5
157.06174	1.3
158.04482	0.6
165.05620	0.9
165.06657	5.0
167.08234	1.9
170.04570	2.8
170.08299	0.9
181.06226	1.0
183.07718	8.5
185.09227	1.9
192.69241	0.6
195.07695	10.4
204.03360	4.5
206.09464	0.9
207.04424	0.7
209.05763	0.8
211.07181	1.5
213.08755	8.6
215.06659	1.2
221.11897	3.0
227.06691	9.2
230.10249	0.6
239.06752	3.0
255.10565	1.6
257.07745	53.6
258.08035	1.4
261.05466	1.0
291.06516	100.0
292.06747	3.0
478.51010	0.6
513.19751	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	513.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53236	1.1
59.01374	63.6
61.98810	5.2
69.37765	6.3
69.38183	4.0
71.01376	38.6
72.99290	1.8
73.02947	5.8
79.05536	1.5
83.01378	4.0
85.02954	9.3
88.29847	1.2
89.02435	34.4
95.01384	4.0
95.08646	3.5
96.95998	4.9
97.06590	1.3
99.00859	2.8
101.02433	29.3
105.14751	1.4
107.08638	2.0
111.00854	1.6
113.02441	17.5
116.05058	1.9
119.03484	12.1
119.04966	1.6
121.06577	9.4
123.04465	6.0
125.09637	2.0
127.07651	1.8
133.02914	2.6
133.06592	1.6
135.04494	4.3
137.06058	5.2
139.07654	11.5
143.03493	1.7
150.03221	2.2
151.07645	15.2
153.05516	6.1
157.08618	1.8
160.04025	14.5
161.02412	8.7
161.04402	13.8
162.02765	2.8
163.07607	2.7
165.05560	9.8
168.00610	1.2
169.08746	2.4
177.05530	4.6
179.03461	1.9
179.05685	6.2
179.07062	2.0
183.06589	24.6
183.08063	2.3
193.53976	1.5
195.06638	2.9
197.08208	2.6
201.07755	1.6
207.06584	1.8
213.07597	3.0
221.07857	1.2
225.07629	3.4
237.07599	2.0
244.56750	1.3
313.12881	3.9
315.11496	1.2
331.14047	7.1
333.13455	4.3
342.35941	1.2
345.11841	12.1
357.07455	1.8
357.11819	31.0
357.15973	2.2
363.12827	6.4
367.08688	2.7
375.12833	19.4
376.12985	1.4
382.99820	1.3
393.13989	3.3
477.14081	3.4
483.18665	9.6
484.19061	1.4
495.18689	12.4
496.18747	1.9
513.19720	100.0
514.20129	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	513.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60137	0.3
59.01366	2.1
63.96223	0.9
69.03469	0.3
71.01373	6.7
71.62730	0.7
73.02938	1.5
78.98589	4.8
79.95266	0.4
79.95729	8.0
80.96506	50.3
81.03442	0.7
85.02950	2.4
85.58232	0.3
87.00872	2.1
89.02425	0.6
94.11150	0.3
94.98072	11.9
95.01362	0.5
96.95990	1.5
97.02948	1.8
99.00864	0.5
99.04510	0.4
101.02444	3.0
106.98069	2.7
113.02424	0.8
116.11141	0.4
122.97567	4.2
125.02412	2.5
127.03984	0.9
134.97569	3.8
135.04501	0.3
136.99094	1.1
137.02521	0.4
148.99120	5.1
152.98611	6.2
153.09172	1.0
159.11456	0.3
163.04077	0.3
164.98607	9.9
167.00163	0.6
167.10632	0.4
177.09117	0.5
182.99672	1.8
183.13879	0.9
184.17540	0.3
184.83894	0.4
195.13895	0.6
197.08073	0.4
206.99666	2.8
213.14920	2.9
225.00714	16.4
226.01010	0.4
243.01720	1.4
299.04288	2.9
317.05411	0.4
333.11850	1.4
363.38779	0.4
469.20651	0.8
513.20001	100.0
514.20331	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	513.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50559	6.8
58.34301	6.6
59.01373	100.0
61.98815	34.2
62.79877	6.0
71.17818	10.1
71.18153	9.4
96.87170	6.8
96.95999	8.6
110.19615	6.6
122.91939	6.5
151.07558	9.1
168.20355	7.0
171.10173	8.6
206.18443	6.6
244.36766	8.5
271.41428	6.9
412.95276	7.4
477.28381	10.5
514.38849	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	513.2685
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01875	2.6
58.00583	1.3
58.69827	0.2
59.01373	26.0
61.98819	0.9
68.99799	0.4
69.03453	1.2
70.84486	0.5
71.01374	51.3
72.01700	0.4
72.99304	2.2
73.02939	19.3
75.00863	2.1
81.03453	0.8
83.01379	6.0
83.05029	0.3
84.02164	0.3
85.02943	19.3
86.00110	0.5
86.03278	0.2
87.00867	2.9
89.02435	22.4
90.02774	0.3
93.03454	0.3
95.01369	3.4
95.05024	1.0
96.96016	0.5
97.02941	2.5
99.00867	10.1
99.04514	0.4
99.66322	0.2
101.02433	33.0
102.02799	0.3
111.00868	0.9
113.02438	19.4
115.03987	1.6
119.03492	4.5
125.02433	4.4
127.04025	0.2
129.01953	0.7
131.03487	3.8
133.09988	0.2
139.00388	0.2
141.01953	0.2
142.89224	0.2
143.03490	2.7
145.35335	0.2
149.04541	5.3
149.08235	0.2
159.02969	2.9
161.04538	19.0
162.04922	0.4
179.05609	1.5
191.05553	2.1
205.03513	0.7
219.17453	0.6
233.06621	3.2
251.07600	0.3
283.97498	0.2
287.90863	0.2
293.08734	3.1
363.54214	0.2
381.22757	21.4
382.23096	1.6
425.21036	0.3
461.29343	0.3
513.26941	100.0
514.27307	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	513.2692
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01878	3.5
58.00589	1.4
59.01374	27.9
61.98848	0.3
65.79045	0.2
69.03452	1.5
71.01376	51.7
72.01694	0.4
72.99298	2.0
73.02940	20.6
75.00871	1.4
81.03461	0.5
83.01380	7.9
83.01866	0.4
85.02943	22.0
86.00109	0.8
87.00871	2.7
89.02435	19.1
95.01381	3.1
97.02932	3.1
98.19808	0.4
99.00871	10.8
99.04486	0.4
101.02433	38.9
106.30048	0.3
111.00867	1.2
113.02440	17.2
115.04006	1.8
119.03490	4.2
125.02428	4.0
127.03991	0.3
129.01953	1.0
131.03499	3.5
143.03464	2.7
149.04546	5.6
153.42310	0.2
159.02969	2.5
161.04541	16.0
179.05621	0.9
191.05602	1.6
205.03671	0.3
219.17534	1.0
233.06656	3.2
293.08786	2.6
381.22760	37.5
382.23163	2.4
411.34164	0.3
425.21716	0.6
474.14215	0.3
513.26953	100.0
514.27368	8.0
514.35022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.4
58.00586	1.4
58.03405	0.3
59.01376	37.8
63.54047	0.3
64.33959	0.3
69.03443	1.3
70.66420	0.4
70.66735	0.3
71.01376	60.2
72.01704	0.4
72.50013	0.3
72.99303	2.5
73.02942	22.7
75.00860	1.3
81.03469	0.6
83.01381	7.7
83.04998	0.4
84.02173	0.3
85.02944	22.6
86.00100	0.5
87.00871	2.8
89.02435	39.2
90.02799	0.3
91.44714	0.3
95.01377	4.0
97.02940	2.9
98.20486	0.3
99.00874	15.2
99.04530	0.7
100.01189	0.4
101.02435	49.1
102.02748	0.6
111.00926	1.3
113.02439	20.9
115.04006	1.8
116.73595	0.2
119.03486	6.8
125.02445	4.5
125.03316	0.5
127.04065	0.3
129.01935	0.7
131.03499	8.3
143.03473	3.0
144.56805	0.3
149.04543	22.9
150.04909	0.4
151.11336	0.3
154.01414	0.5
155.01773	0.3
159.02969	2.6
161.04539	15.5
173.04416	0.3
179.05592	1.8
179.06915	0.3
188.55414	0.2
191.05588	5.6
205.03415	0.3
208.24249	0.3
217.15994	0.3
219.17514	1.2
221.06654	1.2
233.06606	3.2
238.90189	0.3
251.07593	1.6
293.08752	3.2
311.09598	0.3
381.22769	38.3
382.23099	2.4
406.03970	0.3
425.21701	0.6
435.87677	0.3
513.26990	100.0
514.27344	9.5
514.35052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31670	0.1
52.80490	0.0
55.01874	0.2
57.03429	0.2
58.00592	0.2
59.01372	5.2
71.01371	4.0
71.62399	0.1
72.10207	0.1
72.99310	0.2
73.02937	0.8
78.95892	0.2
83.01382	0.5
83.05027	0.1
85.02941	0.7
87.00867	0.5
89.02432	3.3
90.90900	0.1
91.04009	0.2
95.01409	0.4
97.02949	0.2
97.06559	0.1
99.00887	0.2
99.04520	0.1
101.02432	4.0
103.04053	0.1
113.02431	1.8
114.67175	0.1
115.03986	0.1
119.03493	1.0
125.02425	0.2
127.07623	0.2
131.03491	0.2
133.05060	0.4
143.03476	0.3
145.05162	0.1
149.04564	0.1
152.99580	0.6
157.05035	0.1
161.04530	1.6
171.00645	0.1
179.05579	0.6
187.06030	0.1
233.22739	0.4
235.08176	1.2
253.09239	15.6
254.09648	0.4
259.20639	0.4
263.42450	0.1
275.20117	0.3
277.21667	100.0
278.22015	6.2
278.25153	0.1
345.09814	0.1
431.21884	0.1
513.31970	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03450	0.1
58.00574	0.3
59.01371	5.6
61.32214	0.1
61.74924	0.1
64.92535	0.0
68.99823	0.1
69.03452	0.1
69.25739	0.6
71.01374	4.6
72.99323	0.2
73.02937	0.9
75.00907	0.1
81.03458	0.1
83.01366	0.4
83.05042	0.2
85.02948	1.1
85.03437	0.1
87.00844	0.5
89.02431	3.4
91.04030	0.1
95.01374	0.4
97.02938	0.1
98.20339	0.3
99.00863	0.3
99.04507	0.1
101.02430	4.4
101.70050	0.0
103.04006	0.1
103.73106	0.1
111.00889	0.1
111.08116	0.1
113.02436	2.1
115.04003	0.1
119.03476	1.0
125.02464	0.2
127.07653	0.2
129.01810	0.1
131.03505	0.1
133.05052	0.3
143.03482	0.4
145.04996	0.1
149.04553	0.1
157.05043	0.2
161.04539	1.6
179.05591	0.5
205.19536	0.1
232.24533	0.1
233.22726	0.4
235.08179	1.2
253.09247	15.6
254.09639	0.5
259.20596	0.4
275.20093	0.4
277.21664	100.0
278.22006	5.9
278.25214	0.1
286.07227	0.1
414.98944	0.1
415.04623	0.1
422.81128	0.1
513.31537	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.311
Annotation	Daechuine S7
Peak:m/z	Relative Intensity
54.91382	0.6
56.31030	0.5
59.01363	1.6
61.98811	0.9
69.16001	0.4
71.36352	0.5
73.67228	0.5
76.06005	0.5
81.94186	0.5
84.37505	0.5
98.19846	1.6
182.60211	0.5
183.67223	0.6
261.34952	0.5
263.42459	0.5
283.42770	0.6
291.94803	0.5
407.33087	1.1
455.35217	60.5
456.35516	5.5
513.31061	100.0
514.31476	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	513.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59705	0.8
53.57046	0.8
61.70872	0.9
61.98800	1.0
63.21745	0.8
71.61788	0.8
78.95893	1.3
152.62280	0.8
152.99533	1.3
162.26732	0.8
178.72516	0.9
186.37796	0.9
213.37489	0.9
246.76289	0.9
255.23328	2.5
272.35626	1.0
296.04123	0.9
386.83896	1.0
408.96225	1.1
450.87296	1.0
455.35208	69.0
456.35556	5.8
513.31049	100.0
514.31439	9.4
535.40741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3578
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
59.01373	5.8
61.98816	0.3
68.35283	0.2
69.48779	1.6
122.56467	0.2
221.58040	0.2
325.29733	0.2
325.37396	0.2
332.26770	0.2
426.45328	0.2
453.33670	5.8
454.33972	0.4
464.30902	0.3
513.35767	100.0
514.36133	10.9
514.43933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87592	0.4
54.33316	0.4
54.91897	0.4
56.01437	0.5
59.01374	6.6
71.61353	0.5
74.53603	0.4
78.95883	3.2
84.68674	0.5
96.05418	0.4
96.96929	0.5
152.99561	4.7
168.99255	0.5
176.28494	0.5
183.00563	1.1
196.70035	0.5
216.69922	0.4
255.23264	10.3
256.23730	0.6
257.04211	0.9
282.80365	0.5
355.57187	0.4
449.34357	0.5
453.33759	4.1
454.34317	0.5
495.34641	1.3
513.28406	8.1
513.35699	100.0
514.28992	0.9
514.36090	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	514.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98822	100.0
66.04837	0.3
70.61868	0.9
71.01394	0.7
73.02943	0.7
89.02431	0.3
101.02433	0.5
106.90700	0.3
113.02481	0.4
136.74904	0.4
148.43932	0.4
159.70767	0.4
267.41830	0.3
276.31046	0.3
287.94894	0.4
313.24121	0.4
471.25922	0.5
472.26456	0.8
513.26746	0.6
514.27240	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	514.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.4
61.15587	0.2
61.98822	100.0
83.53111	0.3
91.01283	0.3
113.47513	0.3
182.51251	0.3
435.23801	0.3
495.31342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40182	0.6
59.90905	0.5
60.77323	0.6
61.98821	100.0
63.92155	0.5
65.96950	0.5
69.44960	4.1
71.51783	0.6
78.91856	0.6
179.03618	0.5
310.01053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	1.9
59.01373	7.0
69.28838	1.0
69.29237	5.4
70.91926	0.7
71.01388	3.8
71.75394	0.7
73.05009	0.6
81.03447	2.1
85.02958	0.9
87.28004	0.7
88.25924	0.6
89.02431	1.8
93.03452	0.9
95.05018	1.4
95.13427	0.7
101.02393	1.6
109.06567	1.6
109.68520	0.9
110.09753	4.6
113.02448	1.4
119.03477	0.7
123.04521	1.1
126.09272	1.0
128.10806	9.4
130.08720	87.2
131.09070	1.3
135.04532	1.4
135.08139	5.6
149.09802	0.9
150.12874	1.0
152.07137	0.8
154.08746	6.9
170.95137	0.6
172.08498	0.7
172.09726	4.3
173.04567	0.9
177.09131	1.2
179.07114	2.0
181.08661	2.4
182.61893	0.8
192.13855	1.4
246.18625	4.9
290.17535	8.9
291.17941	0.7
308.18634	7.3
325.02988	0.7
334.16577	15.5
335.16928	1.1
352.17596	100.0
353.08624	1.2
353.17865	5.7
394.18900	1.1
409.58078	0.9
450.33685	0.9
454.20956	1.3
514.23114	6.2
541.49799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.6
57.29610	0.5
58.02969	2.2
59.01377	8.4
61.98815	0.7
69.44302	4.0
71.01365	2.1
78.95900	1.8
81.03436	3.6
83.05025	0.7
85.02934	0.9
89.02438	1.6
93.03449	0.7
95.05003	1.4
96.96945	1.0
101.02441	0.7
109.06594	2.3
110.09733	5.0
113.02473	0.6
128.10805	7.5
130.08722	100.0
131.09071	2.1
133.06586	0.8
135.04518	1.6
135.08139	5.0
136.22046	0.6
138.61246	0.5
150.12842	1.1
151.11446	0.6
152.07130	1.8
154.08711	12.1
156.06679	1.8
159.08102	0.8
161.04691	0.6
161.06050	1.0
161.09706	0.7
172.09793	3.5
173.04585	0.6
177.09201	1.3
179.03482	1.2
179.07118	2.6
181.08675	6.2
192.13921	1.9
218.15431	0.7
246.18562	6.8
254.13754	0.6
272.16440	0.9
289.03763	0.6
290.17578	15.0
291.18015	0.7
308.18591	5.7
334.16553	29.1
334.77847	0.6
335.16809	2.0
352.17578	65.1
353.08582	0.9
353.17905	3.7
394.18723	2.2
454.20703	2.5
459.03290	0.6
514.15533	0.6
514.22821	12.4
515.23718	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	514.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98822	100.0
69.56423	0.4
69.56837	0.7
78.70372	0.2
101.02377	0.2
183.24966	0.2
206.70699	0.2
214.45096	0.2
257.81921	0.2
269.27832	0.1
300.82224	0.2
306.00674	0.2
454.33994	0.2
514.32776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82114	0.6
61.98822	100.0
69.51602	1.2
69.52020	3.0
70.32365	0.6
82.14837	0.6
160.37881	0.7
189.31039	0.6
194.34225	0.7
540.35468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33680	0.7
56.70270	0.6
60.99299	0.8
63.89052	0.6
67.01881	1.4
69.03452	0.7
69.80796	2.8
71.01365	1.8
72.55186	0.6
73.92262	0.5
81.03447	0.9
85.02940	1.9
87.00874	2.1
89.03970	2.7
93.03449	12.3
99.00854	1.2
105.03436	5.8
109.02900	0.9
111.04488	1.7
115.00356	2.0
119.05005	3.5
121.02912	2.3
127.04024	0.6
133.02934	15.0
135.04550	1.0
135.40915	0.6
139.00385	0.7
145.02908	0.8
149.02429	1.4
149.06036	1.3
161.02406	3.5
163.03979	3.3
165.01900	2.0
173.04541	5.0
175.02463	1.1
177.01907	100.0
178.02252	2.7
191.05583	52.3
192.05898	1.0
219.02844	0.7
233.04500	2.0
249.27290	0.7
277.03519	4.6
290.47653	0.6
319.04456	1.6
337.05618	1.0
337.09222	14.4
338.09683	0.8
515.14215	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	515.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69442	0.2
58.02377	0.2
59.01360	0.4
61.25217	0.2
61.98824	5.0
63.21607	0.2
71.01395	0.2
76.18815	0.2
80.96501	0.6
81.03444	0.6
82.96078	0.3
82.96912	0.2
85.45910	0.2
89.03954	1.9
93.03452	0.2
95.04993	0.4
104.02666	0.5
105.03450	3.1
117.87359	0.2
121.02840	0.2
132.04398	0.2
133.02948	8.6
134.03741	1.8
148.01631	0.5
149.02443	0.6
149.06079	0.3
160.01640	0.3
161.02356	0.2
165.77861	0.2
175.04034	0.4
176.01129	1.1
177.01906	100.0
178.02255	2.8
193.05037	1.4
194.44392	0.2
231.39156	0.2
282.42441	0.2
339.07156	4.5
340.07614	0.3
351.90897	0.2
421.43195	0.2
466.04694	0.2
514.20428	0.3
515.11981	11.2
515.20203	1.3
516.12250	0.9
516.19708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85303	0.4
55.04063	0.4
57.03427	0.5
59.01377	5.9
60.99289	0.5
64.70601	0.4
67.01871	2.3
69.03446	0.7
71.01382	4.5
72.99308	0.5
73.02927	0.5
76.43060	0.5
77.89856	0.4
78.95930	0.6
83.01354	0.5
83.41064	0.4
85.02947	1.9
87.00869	2.0
89.02428	3.1
93.03449	19.0
96.96002	10.0
96.96937	0.7
99.00867	0.5
101.02455	2.3
107.81470	0.5
109.02939	1.2
111.00875	0.8
111.04491	3.4
113.02441	1.8
119.03496	1.0
132.02121	0.7
133.02945	11.2
134.03664	0.7
135.04517	13.7
137.02429	3.7
149.04527	0.6
149.06053	2.8
155.03444	2.3
161.02429	36.3
162.02776	1.1
173.04530	21.5
177.05540	4.8
179.03482	16.7
180.03728	0.7
191.03938	0.8
191.05595	7.9
192.05966	0.5
203.03561	0.6
217.75906	0.4
221.02542	0.8
221.04517	7.2
251.05563	3.4
281.06644	6.2
282.06805	0.5
341.08585	1.1
353.10852	20.8
354.11420	1.0
374.55621	0.5
497.12936	1.2
515.13965	100.0
516.14343	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	515.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01373	5.8
60.99290	0.9
61.98835	0.3
63.13068	0.4
67.01888	2.3
69.03443	0.9
71.01376	5.0
73.02934	0.8
78.95901	0.5
81.03466	0.5
83.01345	0.4
83.04967	0.4
85.02943	2.4
87.00854	2.4
89.02441	3.2
93.03447	21.8
94.03790	0.4
96.95998	9.5
96.96936	0.5
99.00856	0.9
99.46234	0.3
101.02431	2.9
109.02926	0.6
111.00868	1.2
111.04510	3.4
113.02425	2.1
118.61037	0.5
119.03493	1.2
127.03972	0.5
131.03464	0.4
132.02095	0.4
133.02946	11.7
134.03781	0.7
135.04517	15.4
137.02440	3.6
148.05296	0.7
149.06070	2.9
155.03488	2.1
161.02432	41.3
162.02838	1.2
173.04533	19.9
174.04878	0.7
177.05544	6.6
179.03484	17.8
179.05081	0.8
180.03835	0.6
191.05586	7.0
203.03471	0.4
221.04517	8.6
226.92989	0.4
234.24182	0.4
251.05518	2.8
281.06613	7.7
282.06955	0.4
308.23038	0.5
323.07739	0.4
341.08557	1.1
353.10837	21.7
354.11169	1.1
373.15723	0.4
383.09970	0.7
479.21332	1.1
497.13202	1.8
515.13934	100.0
516.14246	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	515.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.2
61.98816	1.8
69.03416	0.4
71.01375	4.2
73.02946	1.5
83.01393	0.6
85.02932	3.1
85.20234	0.5
85.39800	0.5
88.98804	0.9
89.02438	1.6
89.03973	0.9
93.03441	0.9
96.09554	0.5
96.71963	0.5
96.95995	1.7
99.00873	0.8
100.11437	0.4
101.02422	2.9
107.05069	0.5
109.02925	0.8
111.04534	0.5
113.02443	1.7
117.03458	4.2
119.05050	0.5
123.04522	1.3
132.02148	3.7
133.02936	1.3
134.03725	75.8
135.04552	7.5
137.02486	0.8
145.02936	0.6
149.06073	7.7
153.05594	0.9
155.03433	0.6
160.01649	13.7
161.02444	5.3
161.04527	0.8
165.05554	0.5
173.04500	1.2
175.03969	13.3
175.05466	0.7
179.03476	7.2
191.03807	0.3
191.05588	13.8
193.05040	100.0
194.03876	0.4
194.05292	2.6
207.08772	2.0
323.05020	0.6
323.08084	0.5
353.08746	7.7
354.09082	0.7
385.65649	0.5
404.94547	0.5
477.13910	2.3
515.10626	0.4
515.17590	10.0
516.17804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06096	1.5
59.01367	8.5
61.98812	7.0
66.70884	1.5
66.91384	2.0
70.86652	1.5
71.01359	6.6
71.62642	1.9
72.99303	11.8
75.38126	2.0
85.02944	4.6
87.00861	3.7
89.02429	3.4
92.15616	1.6
93.03444	26.3
96.96015	4.3
97.02960	2.2
101.02435	3.2
108.02128	2.2
109.02918	4.9
111.04514	4.5
113.02428	5.7
114.05569	4.9
115.04026	2.2
117.03453	2.6
119.05003	3.6
121.02942	20.7
122.03773	10.3
123.04517	3.6
125.02471	2.2
128.03519	1.6
131.92532	1.5
133.02933	4.8
134.03734	33.1
135.04500	16.9
136.01646	40.3
137.02429	37.1
138.02730	1.8
141.01904	2.7
145.02936	15.8
147.04430	1.7
149.02434	21.6
149.06090	14.1
150.03212	71.2
151.03989	48.4
152.04675	2.2
153.05519	4.4
155.03444	1.8
156.06656	2.3
159.02989	3.8
161.02408	6.7
161.04576	2.4
161.06001	2.9
163.04001	3.8
164.04781	3.9
165.05547	73.4
167.03510	1.7
173.04524	5.6
175.03951	1.7
179.03474	4.6
180.04233	2.7
181.05048	3.7
185.05981	2.4
187.03925	2.5
191.05553	12.6
193.04967	2.1
195.04730	3.0
195.06598	40.4
197.08070	1.6
205.05139	2.1
213.05530	9.9
223.03996	4.1
224.04857	1.7
225.05658	2.4
227.07338	1.6
235.03793	1.8
235.05965	3.0
236.04753	2.1
239.07042	2.9
240.04166	2.6
241.05040	53.4
242.05540	4.3
252.03999	1.9
253.04988	4.7
255.06479	7.8
256.07379	45.7
257.07941	3.8
269.04431	2.4
271.09711	100.0
272.09991	4.7
281.04483	2.5
283.08295	3.8
284.06821	4.5
285.07581	12.9
298.09909	1.7
299.09180	22.2
300.09558	2.2
315.11008	3.6
319.11795	12.8
323.05701	1.8
373.12912	1.8
419.14914	5.8
461.14471	6.7
462.14609	1.7
467.17029	59.4
467.23584	3.7
468.17300	4.4
479.15393	7.7
479.21384	3.2
515.11322	15.1
515.18634	15.3
516.19580	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	515.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.4
60.51915	0.4
61.98826	2.5
69.70805	0.8
69.71217	1.6
71.01365	1.1
73.02942	0.7
75.00852	0.6
85.02911	0.6
88.98798	0.7
89.02433	0.5
101.02434	1.0
113.02440	0.8
116.05039	0.8
118.02959	1.8
118.06620	1.7
119.05029	0.5
120.04512	2.0
132.04564	1.3
133.02919	0.5
135.04489	1.0
136.04004	0.6
143.03754	0.8
144.04552	4.5
145.05296	3.6
146.02419	1.3
147.03250	0.8
147.62325	0.4
148.04012	2.9
152.03537	4.4
153.03914	0.8
158.06067	1.3
159.03261	0.6
160.03998	3.1
161.01152	0.6
161.02429	1.7
161.04738	0.8
176.03491	1.8
176.07130	13.0
178.05112	0.5
179.03380	0.5
186.01898	3.3
187.02704	1.2
188.03531	3.3
189.02805	0.6
189.04259	3.5
190.05031	0.5
202.05072	20.5
203.05833	20.8
204.03000	9.6
204.06622	18.8
204.08542	0.9
205.06992	0.9
208.09756	21.0
209.10045	1.1
219.05371	1.2
220.06119	22.6
221.06425	0.8
223.13437	0.5
224.68530	0.4
234.07677	100.0
235.08060	3.5
238.07150	0.5
252.08669	0.9
287.22214	1.2
311.22021	0.6
340.11832	5.0
363.13339	1.9
372.14444	94.3
373.14847	5.7
385.65735	0.5
395.15945	0.5
479.20953	1.1
515.21674	14.7
515.28406	1.1
516.21973	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	515.2853
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01876	3.1
57.03444	2.2
58.00590	0.8
59.01375	18.3
60.01717	0.2
66.92236	0.1
67.01894	0.2
68.99800	0.2
69.03445	0.8
71.01376	45.0
71.62621	0.2
72.01723	0.6
72.99305	1.3
73.02939	17.5
74.03268	0.2
75.00873	1.3
78.40778	0.1
79.01855	0.1
81.03453	0.4
83.01379	5.3
84.02158	0.3
85.02943	20.3
86.00092	0.4
86.03262	0.3
87.00867	2.1
89.02435	11.8
90.02772	0.2
95.01377	3.5
97.02937	2.0
99.00874	8.3
99.04477	0.4
101.02435	27.9
102.02773	0.5
111.00852	0.6
113.02437	17.0
114.02748	0.2
115.04003	1.3
116.48792	0.2
119.03470	1.5
125.02433	2.9
129.01936	0.9
131.03499	2.5
143.03500	2.0
149.04544	2.4
159.02971	3.6
161.04538	19.2
162.04878	0.4
169.62761	0.1
179.05675	0.3
191.05666	0.8
205.03528	0.5
207.64307	0.1
222.17735	0.2
233.06570	1.2
252.61430	0.1
275.07758	0.2
293.08749	0.6
330.70670	0.2
382.22675	0.2
383.24316	21.2
384.24707	1.3
427.23367	0.2
500.04474	0.1
515.28516	100.0
516.28888	8.3
516.36780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62801	0.9
59.01374	32.9
60.63502	0.9
61.12556	0.8
61.98850	1.0
62.90510	1.0
69.28132	8.4
70.50791	0.9
71.01372	3.0
73.02927	1.0
85.02952	1.3
87.15874	0.9
89.02431	2.9
96.31450	1.1
101.02444	3.5
108.83949	1.0
113.02432	3.9
149.04536	1.4
152.53934	0.9
161.02478	1.1
175.46863	0.9
185.23474	0.9
195.13878	5.9
223.13287	6.1
225.09106	0.9
275.20178	4.1
293.21188	100.0
294.21515	5.5
317.21179	1.9
383.24625	1.3
430.70224	1.0
515.29266	10.5
516.30310	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	515.2853
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01869	2.6
57.03431	2.4
58.00590	1.1
59.01371	100.0
60.01718	0.5
61.43715	0.4
61.98829	1.6
69.03445	1.3
70.37025	0.4
71.01371	54.0
71.61516	0.5
72.98927	0.4
72.99296	2.3
73.02934	18.4
75.00861	1.3
78.95898	0.8
81.03457	0.7
81.91312	0.4
83.01375	6.0
84.02213	0.5
85.02935	21.5
87.00871	1.8
87.04519	0.6
87.46731	0.4
89.02430	20.4
95.01363	3.1
97.02936	2.3
99.00868	10.3
101.02428	32.8
113.02437	19.1
115.03948	0.6
118.72014	0.4
119.03481	4.1
125.02423	3.6
125.14111	0.5
129.01918	1.5
131.03508	3.6
135.04491	0.5
143.03476	2.8
149.04527	3.3
159.02957	3.5
161.04524	29.7
164.07144	1.7
165.07449	0.7
179.05579	1.4
191.05605	1.5
205.03534	1.0
218.40906	0.4
233.06667	2.0
250.09856	0.4
259.09238	0.4
293.08716	1.1
293.21194	0.5
314.14099	0.6
383.24316	18.0
384.24622	0.8
395.24347	3.5
413.25354	7.4
414.25375	0.6
455.26181	1.1
479.18860	2.3
515.28510	50.3
516.28937	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	515.3369
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
58.00593	1.3
59.01373	13.5
61.77139	0.6
61.98815	1.6
68.61300	0.6
70.09032	0.6
70.76009	1.3
74.18881	0.6
85.06595	0.6
97.06593	0.9
104.27846	0.6
122.09871	0.8
153.09270	0.9
182.18257	0.7
204.27696	0.7
307.57309	0.6
389.28595	2.8
406.28577	4.6
407.29559	0.8
421.31311	2.4
423.32681	7.9
424.32971	1.0
439.33243	0.7
469.33160	52.5
470.33655	6.2
471.31253	0.9
497.32858	5.9
498.33359	0.9
515.33856	100.0
516.34283	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	515.35
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	6.5
66.71216	3.3
70.42570	6.2
70.42954	6.5
73.02937	14.8
83.01376	73.7
85.06577	6.1
95.05028	17.3
97.69776	3.5
111.04509	10.3
124.01649	6.2
127.07625	6.0
139.03993	100.0
151.07578	7.4
153.00615	3.4
163.11249	13.0
211.09686	13.4
232.05463	3.6
247.01060	3.3
333.27866	10.2
339.23245	19.6
351.29065	30.7
407.31683	18.1
479.37372	8.3
515.35254	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	515.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46216	0.4
61.98820	1.0
70.86784	0.8
70.87119	0.9
73.02938	1.3
76.73765	0.4
81.41906	0.4
82.20677	0.4
88.48599	0.4
103.17587	0.5
137.06070	1.0
163.11263	100.0
164.11600	2.8
175.11305	0.7
177.12770	0.7
208.10954	0.5
211.09746	1.2
226.03546	0.4
283.17096	0.6
339.23221	57.2
340.23523	4.7
351.23224	1.1
419.35043	0.7
479.37350	1.1
515.35248	40.2
516.35455	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	515.3731
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
63.22336	1.8
71.61935	2.5
107.01323	1.9
186.31609	1.9
275.24219	2.1
327.98462	1.9
455.35275	70.6
456.35428	7.2
457.36069	11.4
490.89557	2.0
515.30920	100.0
516.31354	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	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
61.98828	4.1
72.85863	0.6
78.95907	2.5
83.01350	0.6
96.13139	0.6
98.37617	0.5
152.99588	4.9
185.93909	0.6
279.23279	0.9
386.54001	0.5
433.23691	1.1
455.36325	0.7
515.29120	0.7
515.37097	1.2
519.52344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71561	0.2
59.01368	0.5
62.96392	1.3
63.34546	0.2
69.03447	0.4
69.36013	1.7
69.36412	0.4
71.01392	0.3
78.95895	100.0
96.96951	27.8
98.44400	0.2
104.72696	0.2
110.98550	0.4
117.03452	0.3
119.98562	0.5
122.00130	2.2
122.98556	1.5
130.76657	0.3
133.02959	0.5
134.03725	0.3
135.04553	1.1
137.06073	0.3
140.01161	0.6
143.38922	0.2
148.01678	0.9
149.99579	0.3
152.03503	0.7
158.00133	0.6
161.02385	1.1
173.04550	0.5
174.03212	0.9
176.01166	0.8
179.03448	0.5
192.00677	2.0
218.02184	0.7
224.03265	2.9
230.37686	0.2
260.07172	0.3
267.05405	0.2
276.02716	2.6
338.07980	3.3
346.06989	1.8
378.09470	0.9
382.06921	0.5
391.61356	0.3
414.09546	0.6
422.13800	0.3
440.14554	2.3
452.11035	1.8
484.13699	8.2
485.14038	0.4
516.16309	27.9
517.16748	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	516.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
61.98824	100.0
71.01379	1.3
85.02961	0.4
96.96023	0.6
98.20639	0.8
101.02441	0.4
116.10069	0.4
121.98113	0.5
169.29311	0.4
458.91153	0.4
473.33282	0.5
516.29431	3.6
517.31769	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	516.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	2.1
59.01369	8.1
69.03434	0.7
70.92570	1.1
71.01376	1.8
72.83776	0.6
73.02914	0.6
75.00928	0.5
80.02654	0.6
81.03445	3.6
83.05016	1.0
85.02943	2.1
89.02419	1.0
95.05034	1.1
97.02979	0.7
101.02438	1.9
105.31395	0.5
107.04959	0.6
109.06582	3.5
110.09737	5.3
124.07655	0.7
128.10789	6.2
130.08722	100.0
131.09077	2.4
133.03000	1.2
133.06596	1.1
135.04546	1.7
135.08160	4.3
152.07144	1.4
154.08719	12.9
156.06625	1.8
159.08054	1.2
161.02426	2.7
161.06129	0.9
161.09663	1.3
163.06004	0.9
172.09799	3.7
177.09184	1.5
179.03441	0.9
179.07076	2.6
181.07262	1.0
181.08704	5.5
192.13940	1.5
203.10765	0.6
208.13414	0.8
218.15471	1.1
221.08241	0.7
230.15503	0.7
234.11299	0.7
236.12726	0.7
246.18587	7.7
248.16534	0.9
253.51920	0.6
272.16550	0.9
290.17581	11.7
308.18668	1.5
323.07626	1.3
334.16544	29.7
335.16858	2.2
352.17590	10.2
353.17798	1.0
354.18625	1.0
427.81772	0.6
516.24414	77.1
517.24664	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	517.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37271	0.4
58.15261	0.6
59.01377	7.0
61.98815	1.3
71.01369	1.6
71.62695	0.5
72.99319	0.5
73.02951	0.6
75.00861	1.1
78.95908	1.2
79.95732	4.5
85.02944	1.0
89.02444	0.5
96.96004	100.0
101.02446	2.4
106.45866	0.4
107.05041	0.6
109.06580	0.8
110.78573	0.5
111.00899	0.7
116.07144	0.4
117.03475	0.6
119.05015	0.8
119.51937	0.5
120.68073	0.5
121.02960	0.9
127.03999	0.6
135.04524	0.7
137.02478	0.7
139.00359	0.9
142.56972	0.5
145.02940	2.3
147.77571	0.5
152.79335	0.5
152.93774	0.5
188.92291	0.5
192.98206	0.5
263.23163	0.4
277.17975	0.8
291.08594	1.6
301.21780	0.8
317.09998	0.7
349.13376	0.5
387.09225	0.9
389.05371	1.8
479.32739	0.5
517.27167	2.5
517.32855	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
60.99299	1.2
63.04911	0.5
67.01881	3.3
69.03458	1.1
69.85909	1.5
69.86320	2.2
71.01381	1.3
74.19711	0.5
76.45835	0.7
84.52984	0.6
85.02946	4.5
87.00871	5.2
93.03448	19.8
98.19957	1.1
98.20535	1.3
111.04508	2.9
119.05020	7.0
127.04028	1.3
129.01891	1.1
134.03722	0.7
135.04517	12.6
143.03537	0.8
145.02931	1.3
155.03436	0.7
163.04007	6.9
171.02971	0.6
173.04536	8.9
177.01970	1.4
179.02045	0.9
179.03487	10.7
191.05594	100.0
192.05946	2.6
240.64868	0.6
337.09253	25.3
338.09576	1.6
404.48358	0.6
430.52676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71536	0.4
59.01374	6.5
63.68724	0.5
67.14311	0.5
69.42131	2.4
69.42554	1.5
71.01372	3.5
73.02921	0.8
81.03519	0.6
83.01398	0.6
85.02927	1.1
88.98805	0.9
89.02444	1.5
93.03461	1.7
97.02924	0.5
98.19837	0.5
101.02448	2.0
105.01913	0.7
105.03474	1.3
106.04250	0.8
108.93298	0.6
113.02448	1.6
117.03449	5.9
119.05022	3.7
121.02959	2.2
123.04510	1.1
132.02168	1.7
133.02936	28.9
134.03723	31.1
135.04512	33.8
136.04857	1.2
137.02428	5.3
139.03998	1.4
145.02930	18.2
148.05318	0.7
149.06061	9.8
150.03224	0.9
153.09218	0.8
160.01637	2.9
161.02420	100.0
162.02744	3.4
163.03951	2.9
164.28973	0.5
173.04626	1.1
174.01736	1.9
175.03992	4.0
176.04770	1.2
177.05562	3.8
178.02679	18.4
179.03476	21.1
191.07086	0.7
193.05028	23.1
194.05768	3.4
197.08095	0.6
203.03490	1.6
209.08244	2.6
221.04509	4.5
251.05698	1.2
263.05518	0.8
263.45279	0.5
280.05734	0.7
294.09760	1.4
307.08188	10.5
323.07663	38.1
324.07907	1.6
337.09152	4.5
343.21011	1.2
355.10205	4.9
430.14828	0.8
473.14523	5.4
517.13342	63.0
518.13721	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	517.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91519	0.6
56.76461	0.5
59.01379	1.0
69.72269	2.8
70.03104	0.5
85.06579	18.4
96.95966	0.7
113.06070	16.0
114.57838	0.6
115.03996	39.0
116.04327	0.6
131.07120	3.3
143.89009	0.5
157.05037	4.7
161.02425	1.2
175.06090	100.0
176.06435	1.9
214.26379	0.5
217.10791	0.9
419.12662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1557
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
55.56293	1.0
59.01095	1.9
59.01375	26.5
61.98789	1.4
70.37570	2.5
71.01370	17.9
72.99273	1.1
73.02930	3.1
75.00861	1.6
85.02950	5.9
87.00872	1.6
89.02435	19.2
93.03442	2.0
95.05015	6.8
99.00850	3.3
101.02432	15.5
107.04990	1.8
109.02924	1.9
113.02463	8.4
119.03501	6.6
121.02923	1.6
123.00831	0.9
123.04495	1.4
131.03496	3.2
133.02939	13.1
134.03728	43.3
135.04512	57.4
136.04836	2.0
137.02425	6.0
139.03989	2.6
143.03490	2.4
149.02403	1.9
149.04543	5.0
149.06041	11.2
156.68571	1.0
160.01637	2.0
161.02432	38.0
161.04552	3.3
163.03958	1.5
164.04782	1.4
167.03256	1.0
173.04509	1.7
175.03983	1.8
175.06081	4.3
177.05568	3.6
177.49696	1.1
178.02696	23.3
178.40556	0.9
179.03479	38.5
179.07031	1.1
180.03714	1.2
191.05574	9.6
191.07104	1.7
193.05026	67.0
194.05351	2.9
221.04495	2.5
223.06041	4.6
223.08058	1.7
235.06157	1.2
251.05489	2.2
255.10103	2.4
281.06674	4.0
323.09708	3.6
341.08783	2.3
343.08234	1.8
348.52051	1.1
355.12448	30.4
371.11838	1.5
381.30054	1.2
517.15503	100.0
518.16064	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.4
59.01371	12.1
61.98822	21.0
65.34271	0.5
69.29353	3.9
69.29746	1.3
70.07644	0.4
71.01376	3.3
73.02927	0.9
76.54481	0.5
85.02953	1.3
89.02433	2.7
93.03449	0.7
95.05010	0.8
97.02905	0.6
99.04510	1.0
99.05556	0.5
101.02431	1.8
104.03526	0.9
113.02418	1.1
117.03465	1.0
119.03491	0.6
119.04948	0.4
120.99648	1.4
123.04508	60.4
124.04858	0.9
129.06676	0.8
132.02167	2.1
133.02911	1.7
134.03714	8.5
135.04559	3.2
137.02522	0.7
145.02928	2.1
149.06024	0.9
153.05553	100.0
154.05859	2.3
160.01636	7.9
161.02399	2.7
163.03972	1.0
173.04526	0.8
174.94632	0.5
175.03972	8.4
179.03409	1.1
179.42882	0.5
183.10175	0.7
193.05023	12.2
220.12744	0.5
257.07690	1.8
281.04300	0.5
291.06522	3.4
297.09824	0.8
311.09537	0.6
315.10791	1.9
349.14526	0.5
424.19199	0.5
481.20688	19.3
482.21085	1.3
517.17365	8.9
517.25989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.4
59.01371	12.1
61.98822	21.0
65.34271	0.5
69.29353	3.9
69.29746	1.3
70.07644	0.4
71.01376	3.3
73.02927	0.9
76.54481	0.5
85.02953	1.3
89.02433	2.7
93.03449	0.7
95.05010	0.8
97.02905	0.6
99.04510	1.0
99.05556	0.5
101.02431	1.8
104.03526	0.9
113.02418	1.1
117.03465	1.0
119.03491	0.6
119.04948	0.4
120.99648	1.4
123.04508	60.4
124.04858	0.9
129.06676	0.8
132.02167	2.1
133.02911	1.7
134.03714	8.5
135.04559	3.2
137.02522	0.7
145.02928	2.1
149.06024	0.9
153.05553	100.0
154.05859	2.3
160.01636	7.9
161.02399	2.7
163.03972	1.0
173.04526	0.8
174.94632	0.5
175.03972	8.4
179.03409	1.1
179.42882	0.5
183.10175	0.7
193.05023	12.2
220.12744	0.5
257.07690	1.8
281.04300	0.5
291.06522	3.4
297.09824	0.8
311.09537	0.6
315.10791	1.9
349.14526	0.5
424.19199	0.5
481.20688	19.3
482.21085	1.3
517.17365	8.9
517.25989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18275	1.7
52.52972	2.1
55.01884	2.0
57.03420	2.0
57.57887	1.6
58.00589	2.8
59.01373	95.8
69.03450	5.0
71.01376	88.1
72.99291	3.3
73.02943	8.6
75.00861	2.3
81.03465	4.2
83.01383	6.8
85.02937	11.2
87.00854	3.8
89.02439	100.0
93.03487	4.0
95.01395	3.6
97.02935	10.7
99.00883	3.1
101.02438	19.4
109.02955	4.8
113.02442	21.2
118.61457	1.8
119.03466	2.4
121.02958	2.5
123.04513	3.2
125.02430	36.3
131.03470	20.4
133.02939	13.9
134.03722	14.0
135.04503	50.1
136.04881	3.4
137.02402	2.4
143.03464	3.7
145.02933	2.0
148.05290	45.4
149.04549	32.8
149.05801	3.3
153.01910	4.6
153.09201	2.3
160.01634	2.5
161.02425	47.0
163.04013	2.4
163.07635	19.3
167.03473	6.5
173.04536	7.1
174.01643	2.0
175.04025	5.8
176.01163	3.0
177.01915	2.2
178.02715	7.2
179.03477	43.5
191.05554	13.1
193.05054	9.9
193.08675	3.7
197.08023	2.6
233.06624	12.3
237.19690	1.8
279.07092	2.4
293.08768	72.0
294.09210	2.2
323.07629	14.8
337.09384	3.9
343.21078	2.9
355.10602	7.1
473.14896	2.3
517.13184	21.2
517.26306	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	517.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.2
61.98827	7.1
63.23184	3.1
64.14767	2.4
64.59364	2.4
69.03439	3.9
69.41692	21.3
71.01382	21.6
73.02952	7.5
81.65874	2.5
85.02964	9.2
87.00892	4.9
89.02443	19.4
93.03470	6.6
97.02940	2.8
99.00910	6.7
101.02452	10.4
109.02973	4.3
112.98593	2.8
113.02438	8.6
117.50849	2.5
119.03509	2.8
122.85268	3.0
125.02467	3.1
134.03773	10.3
135.04555	9.0
149.04619	7.3
149.06035	3.2
155.69946	2.3
158.37328	2.5
160.01682	4.6
161.02432	3.5
161.04517	5.0
163.04010	2.8
164.04793	5.5
164.61160	2.4
165.93500	2.4
173.04543	4.0
175.04018	5.2
178.02715	3.5
191.05621	43.7
193.05077	15.8
223.06198	10.2
255.10312	8.2
262.82587	2.6
265.07126	2.9
343.08279	4.9
349.18256	3.9
448.90079	3.3
481.22858	88.0
482.23663	7.5
517.14410	9.6
517.20795	100.0
518.21033	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	517.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
58.00610	1.1
59.01374	100.0
60.01699	0.7
61.66962	0.6
61.98816	4.2
69.03452	1.3
70.69980	0.6
71.01376	21.2
72.99306	1.2
73.02942	21.2
73.63941	0.7
75.00872	1.0
79.58626	0.6
83.01383	6.5
85.02942	5.1
87.00885	1.6
87.04513	1.1
89.02438	8.3
95.01393	1.0
96.96021	1.8
99.00911	1.4
101.01773	1.6
101.02430	26.0
105.71818	0.6
112.98582	0.8
113.02444	10.3
119.03529	5.6
119.05013	10.7
123.04496	0.7
125.02465	1.3
131.03523	2.5
132.15041	0.6
133.02916	0.7
133.35530	0.6
135.04552	1.9
137.06094	1.3
143.03493	2.7
145.02966	1.3
149.04578	3.0
152.07205	0.8
161.02454	2.7
161.04550	6.4
163.03986	8.7
179.03497	0.9
179.05617	1.4
221.06726	1.5
223.13521	0.7
230.07468	0.9
266.07657	0.8
270.48895	0.7
291.06625	0.6
321.12115	0.7
355.25055	2.8
385.22519	1.9
447.60645	0.7
455.31818	2.6
457.28323	2.6
475.29391	1.9
517.24298	1.3
517.31244	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	517.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.8
61.98809	0.7
68.89412	0.3
78.36596	0.4
78.95892	3.6
79.95719	3.5
89.79436	0.4
96.95998	100.0
96.96893	6.8
113.92649	0.4
136.56764	0.4
209.84282	0.4
255.23343	1.0
277.21692	1.8
281.24823	1.2
293.24677	1.9
294.73642	0.5
517.86285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56416	0.2
59.01372	7.2
65.52314	0.2
72.99305	1.1
75.00861	100.0
76.01206	0.6
81.75309	0.2
90.62946	0.2
98.20663	0.5
173.94017	0.2
188.38869	0.2
207.62653	0.3
229.67354	0.3
277.21674	3.5
278.21988	0.2
422.31885	0.3
471.34662	0.7
473.32385	0.3
517.30957	0.3
517.37219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98830	1.9
71.21812	1.0
116.92760	0.4
217.54411	0.6
347.00687	0.5
354.25473	0.5
375.19922	0.7
484.81284	0.6
517.31549	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	517.389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01687	1.0
61.98830	2.2
63.23961	0.7
64.88605	0.7
65.60284	0.6
71.04998	0.8
71.28533	1.7
75.00858	1.6
75.59160	0.7
78.92995	0.6
84.29507	0.7
87.00865	45.9
126.25505	0.7
127.07251	0.6
144.78294	0.7
241.14514	1.6
261.78046	0.9
279.22415	1.1
399.29062	1.0
400.76770	0.7
439.32217	1.2
457.33282	1.5
473.32928	0.8
504.24033	0.7
517.31409	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	517.389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01699	0.6
61.98824	1.6
69.47028	0.6
69.47433	2.4
75.11416	0.4
85.79041	0.3
85.91825	0.4
89.38155	0.3
98.20690	0.6
110.74538	0.4
202.11594	0.4
253.68283	0.4
311.99866	0.4
471.34784	0.5
517.31409	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01693	0.6
61.98843	0.4
70.10976	0.2
70.11300	1.1
75.00869	0.3
91.22996	0.3
113.07002	0.3
116.19217	0.3
201.98294	0.2
279.23462	0.3
280.23618	0.4
281.23898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12628	0.6
59.01372	100.0
60.01703	0.9
61.98835	4.4
69.47750	1.5
69.48145	3.7
69.79245	1.0
73.28519	0.8
150.48358	0.8
151.86610	0.7
184.64444	1.1
217.00305	1.2
247.26474	0.7
310.93588	0.9
357.91843	0.8
457.33359	1.2
458.34390	1.0
517.31097	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	518.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06260	0.5
55.85196	0.4
57.03435	3.6
58.81234	0.5
59.01373	54.2
59.68271	0.5
61.98822	100.0
69.03437	0.6
69.31933	1.0
69.32342	3.3
71.01377	8.3
73.02945	1.7
79.85956	0.5
85.02962	1.2
93.17886	0.5
99.00887	0.7
101.02461	2.3
111.04464	0.5
113.02413	1.1
125.02471	0.6
131.69162	0.5
132.02184	1.2
134.03758	0.9
135.04489	1.5
137.09711	1.2
160.01675	1.6
161.02098	1.3
161.04533	0.6
175.04033	1.9
175.54599	0.5
176.04291	1.0
179.03494	0.9
179.28697	0.5
192.11598	2.0
193.05009	1.5
203.05591	8.3
207.13873	22.0
218.70645	0.5
292.07053	0.7
308.29376	0.5
341.72818	0.5
417.41565	0.6
454.44312	0.6
518.18250	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	518.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82453	0.8
59.01371	100.0
60.01714	1.1
61.98822	1.1
67.64626	0.8
82.95406	2.6
84.04548	2.4
94.24636	0.9
102.05595	14.8
106.04225	2.8
107.05032	1.3
119.05000	3.1
137.06062	42.1
144.04462	1.3
146.06070	1.3
149.06007	2.0
161.04808	4.2
162.05569	6.3
165.04309	1.0
170.06145	1.0
176.07132	10.3
177.05559	1.9
178.05061	3.0
179.07085	1.5
186.09221	7.2
188.03453	0.9
188.07140	0.9
202.08662	1.7
203.25085	0.9
205.03778	1.8
206.04564	8.7
208.09648	1.4
218.11763	2.4
220.06107	11.3
220.82666	0.9
230.08112	8.1
231.24220	0.9
236.09229	1.9
238.07121	1.4
243.73642	0.9
262.10803	2.4
280.08246	2.1
295.08127	4.3
306.09769	1.2
320.76062	0.9
326.10309	8.8
336.14459	1.1
338.12375	5.5
340.11810	1.8
341.10144	1.9
350.13980	2.9
368.11310	2.1
378.13641	1.1
380.13321	1.1
398.14456	12.9
398.19370	1.5
400.14044	5.1
444.16895	1.4
476.18878	2.9
486.17657	4.8
518.20209	68.7
519.20605	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	518.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36480	0.3
56.46260	0.2
61.98817	0.6
67.07748	0.2
69.08407	0.2
70.61819	0.2
70.62186	0.7
78.95895	45.4
96.96348	0.4
96.96956	6.7
105.72620	0.2
118.01161	0.2
150.97958	1.8
152.99570	100.0
153.99902	0.9
171.00607	4.3
183.69049	0.2
240.02812	0.3
277.21701	0.8
314.30527	0.2
431.21951	27.1
432.22327	1.8
436.40091	0.3
447.75562	0.2
518.25195	6.2
519.25665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
61.98824	7.6
62.96381	0.4
69.57970	2.3
78.95898	66.4
85.02946	0.3
96.96956	5.7
98.19883	0.6
109.14168	0.3
117.15056	0.4
119.63635	0.3
126.36838	0.3
150.98013	1.6
152.99573	100.0
153.99934	0.6
156.75519	0.3
161.02423	0.5
171.00644	3.2
172.85484	0.4
277.21753	2.1
431.21964	46.0
432.22397	2.7
518.25128	6.8
519.25690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
61.98823	100.0
69.39014	0.4
69.39399	1.4
85.57633	0.2
89.08844	0.2
89.65719	0.2
92.42763	0.2
106.58557	0.2
153.07133	0.2
230.79546	0.2
294.21573	0.2
518.32233	0.3
519.33380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72503	0.3
59.01371	3.5
61.98824	100.0
65.17098	0.4
67.07933	0.3
70.59672	0.9
71.01388	0.6
72.99320	0.4
73.02941	0.4
73.95602	0.4
78.95896	2.5
82.70620	0.4
114.47986	0.3
121.02898	0.4
121.10225	0.8
133.02974	0.4
135.04509	0.6
137.06017	0.6
152.99576	0.4
161.02438	1.0
167.24448	0.3
171.10287	1.6
189.59271	0.4
224.07010	1.2
275.19992	2.0
293.21146	3.8
302.00229	0.4
342.19046	0.5
393.34668	0.5
432.26779	0.4
518.28790	5.0
519.28339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39952	1.3
57.03424	2.5
58.00557	3.6
59.01373	100.0
59.01659	3.1
59.88743	1.2
61.10143	1.3
61.98798	3.5
67.01846	2.2
68.99800	8.2
69.03451	12.9
69.11971	1.2
71.01376	86.0
71.18092	2.9
72.99261	4.3
73.02886	5.5
81.03318	1.3
83.01336	2.7
85.02939	10.9
87.00829	3.7
88.98760	1.7
89.02431	77.9
93.03394	4.7
95.01315	5.0
95.04982	4.4
99.00847	2.6
101.02434	53.1
109.02882	2.2
111.04444	2.4
113.02436	25.1
115.00352	22.8
117.03353	2.5
119.03487	35.5
119.04864	3.0
121.02921	13.2
123.04431	3.9
125.02408	1.9
127.03903	4.5
131.03477	6.1
132.02122	6.2
133.01300	5.9
133.02878	2.3
134.03725	45.4
135.04527	10.3
136.01517	1.4
137.02301	3.8
139.00279	1.9
143.03476	11.8
147.04416	3.4
149.02307	5.0
149.04478	3.2
149.05949	8.4
151.03891	4.1
153.01869	3.2
153.05501	3.0
160.01637	39.7
161.02338	2.7
161.04532	9.9
163.03905	3.0
163.05968	3.8
164.04755	1.3
165.05406	3.6
165.09105	2.6
173.04535	11.3
175.03978	40.9
176.04578	5.3
177.05241	1.4
177.36476	1.4
178.02550	4.6
179.05591	40.0
179.07030	3.7
181.04951	2.7
181.07002	2.3
191.03265	2.2
191.05348	2.1
191.06961	5.6
193.05028	69.6
194.05287	3.1
197.08031	2.7
207.06450	4.0
223.06081	42.6
235.06071	13.0
265.06897	2.9
295.07977	3.2
297.09708	1.5
325.10995	6.0
327.12030	5.7
333.07977	1.8
337.09125	3.1
345.15472	19.7
346.14996	1.3
355.09982	1.7
357.12964	4.1
359.13150	2.8
371.09503	1.9
403.12399	37.2
404.12802	1.7
519.16486	55.1
520.16931	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	519.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03436	1.6
59.01374	61.1
59.89095	1.0
61.98825	2.4
65.03954	1.6
67.01885	2.3
67.13978	1.3
69.03452	93.5
69.35296	1.0
69.89705	3.4
69.90130	1.4
71.01382	28.2
73.02928	3.5
82.95399	3.3
83.01385	2.2
85.02952	6.0
87.00858	1.7
88.16375	1.1
88.16982	1.0
89.02439	17.0
91.25354	1.0
93.03433	1.3
93.07109	1.4
95.01366	2.1
95.05022	23.3
97.10938	1.0
99.00858	3.8
101.02438	11.6
103.05529	3.8
104.64187	1.0
105.75021	1.1
106.04237	11.8
111.00867	2.3
113.02433	8.6
115.05512	4.6
119.03465	3.0
119.05007	2.6
121.02949	13.0
121.06586	71.6
123.04490	6.6
125.02429	3.1
131.03485	3.4
131.05002	11.6
133.06590	6.3
135.04504	2.6
136.01599	1.1
139.00377	11.3
139.03940	2.1
139.07637	19.1
143.03429	1.4
143.04968	1.7
145.06560	4.0
147.04509	88.9
148.04849	2.7
149.02461	1.2
149.04543	9.1
151.03954	2.1
161.06055	100.0
162.06393	4.1
165.05556	34.3
165.12811	2.5
173.05986	2.5
180.27124	1.2
183.06598	12.6
189.05550	39.3
191.05539	1.9
201.05362	1.1
209.04510	16.7
219.06523	2.6
243.06630	1.6
249.07639	1.6
293.08752	4.0
327.10712	4.2
327.18005	1.1
327.89508	1.0
365.94839	1.1
459.22519	6.7
475.16013	15.7
483.22861	1.5
496.98511	1.2
519.14819	26.8
519.31934	3.5
520.15289	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	519.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16423	1.4
57.03428	2.1
58.00581	2.7
58.49369	1.2
59.01373	82.1
61.98815	2.5
67.01877	2.0
68.99800	6.0
69.03118	1.6
69.03446	11.2
69.26796	13.2
69.63084	1.1
71.01377	75.5
71.05001	1.2
72.99304	3.8
73.02947	6.3
75.00832	1.8
83.01389	3.3
85.02945	17.0
87.00854	5.4
88.98764	1.3
89.02432	60.0
93.03441	8.6
95.01364	2.8
95.05016	2.1
97.02912	2.5
98.19868	2.2
99.00864	4.6
101.02433	47.5
111.00903	1.5
111.04487	4.4
113.02436	25.2
115.00375	8.5
117.03471	3.6
119.03490	22.8
121.02947	9.9
121.10207	3.5
123.04547	2.6
127.04009	2.2
131.03459	5.2
132.02119	10.7
133.01378	4.0
133.02911	3.6
134.03726	73.5
135.04561	6.3
136.01625	4.0
137.02399	5.8
139.00342	1.6
143.03461	6.3
147.04495	2.1
149.02393	2.0
149.04524	4.1
149.06111	7.1
150.06186	1.7
151.03975	6.8
153.01976	3.0
155.03513	6.8
160.01636	46.0
161.02333	4.8
161.04518	9.8
163.04037	1.9
163.06145	6.5
165.05452	1.9
165.09114	3.3
173.04539	16.9
175.03990	55.7
176.04669	5.2
178.02669	4.8
179.03346	3.0
179.05594	22.3
179.07095	1.4
181.07188	4.3
191.05556	5.4
191.07103	9.6
193.05029	100.0
194.05394	3.2
197.08154	2.0
205.07188	2.0
207.06606	4.0
220.03743	2.1
223.04056	1.6
223.06099	24.5
235.06091	21.8
241.07176	1.5
265.07266	1.9
266.00275	1.3
273.28186	1.3
295.08173	4.3
323.07571	1.7
325.11246	9.0
337.09296	3.3
339.11957	1.6
345.15491	43.8
355.95963	1.4
357.13431	6.3
403.12405	20.1
519.17151	57.7
520.17676	4.7
532.08765	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64295	0.7
56.86550	0.6
59.01375	1.5
60.99300	15.5
71.01382	0.9
71.61441	0.8
77.30037	0.6
81.19288	0.6
88.98798	100.0
89.99136	0.9
96.86165	0.6
101.02416	0.8
111.34843	0.6
133.02956	5.0
135.04494	2.9
152.26604	0.6
161.02414	12.1
173.04585	0.8
179.03558	1.4
184.07593	0.6
260.86917	0.6
267.12350	1.3
279.40778	0.6
286.36133	0.7
519.14929	7.9
519.21729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.8
59.01370	23.4
68.99781	2.9
70.91777	3.2
70.92098	4.4
71.01373	41.7
85.02947	44.7
87.00867	3.0
89.02458	16.6
89.93194	2.9
93.03403	3.0
95.01379	17.0
96.95995	6.1
99.00900	3.0
100.07117	2.6
101.02423	7.6
113.02438	100.0
119.03488	3.6
121.02929	4.3
122.03803	4.4
123.04507	41.0
131.00896	2.7
133.02914	3.1
134.03699	6.9
135.04503	6.6
139.00346	2.3
143.03506	5.8
149.02454	4.3
149.06091	5.1
150.03226	27.8
151.03998	91.5
151.05243	4.6
154.02745	2.5
161.04552	35.6
165.01814	2.8
168.93892	2.5
179.05595	2.8
193.05000	7.5
195.06544	2.9
221.77167	2.3
235.06165	2.5
459.14993	35.5
461.16321	4.9
519.17145	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	519.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62611	1.7
55.01868	2.6
57.03442	2.2
58.87139	1.9
59.01372	66.3
61.98806	7.2
69.57049	14.0
71.01372	44.9
72.37225	1.6
72.99283	2.4
73.02895	3.7
83.01360	5.4
83.04999	3.0
85.02942	12.4
87.00853	2.5
89.02428	37.5
93.03451	11.0
95.01358	3.3
99.00823	2.3
101.02425	33.9
109.02923	6.3
111.04491	10.3
113.02445	17.3
116.92823	3.7
117.03422	3.9
119.03480	13.0
121.10238	3.2
123.22070	2.1
124.42933	1.7
131.03450	2.3
132.02165	14.7
133.02838	2.6
134.03723	63.2
135.04517	31.8
137.02425	8.3
143.03517	1.9
143.59930	1.9
145.04994	1.8
147.04471	3.6
147.37352	1.8
149.06059	6.4
153.01888	5.9
155.03490	8.9
157.65442	1.8
160.01639	72.1
161.02286	2.8
161.04535	3.5
163.06093	7.8
165.09140	11.2
173.04512	30.4
175.03970	80.8
176.04733	9.9
178.02679	3.7
179.03394	1.9
181.07159	5.4
183.10272	4.1
191.05563	3.7
191.07109	10.8
193.05032	97.0
194.05315	4.4
207.06569	7.4
220.03819	1.9
235.06076	32.0
265.07092	6.2
295.08167	6.6
297.09766	10.8
325.11356	6.2
337.09201	2.8
339.12543	2.3
343.12387	2.5
345.15506	100.0
346.15662	4.5
355.10419	3.8
519.17273	88.8
520.17822	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	519.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55514	1.1
58.00575	2.1
59.01371	70.6
69.40160	4.4
69.40585	4.7
70.25587	1.2
71.01373	47.3
72.99303	4.1
73.02910	2.3
83.01367	1.7
85.02951	6.6
87.00875	2.0
89.02435	70.7
95.01335	3.4
95.26025	1.0
98.20770	1.2
99.00755	1.2
99.43742	1.3
101.02440	22.0
105.59623	1.1
113.02438	19.3
113.46025	1.2
117.03399	1.6
118.22614	1.1
119.03486	25.9
131.03424	2.8
132.02162	1.8
132.11050	1.3
133.02939	13.8
134.03545	1.1
135.04518	8.4
136.01645	4.8
143.03497	6.7
145.02937	3.6
149.04559	1.7
151.03990	9.5
160.01649	2.6
161.02428	45.1
161.04539	4.7
163.03967	2.4
175.03996	2.8
179.03433	3.9
179.05563	10.5
181.05054	1.9
207.08084	2.0
219.07976	2.1
225.09056	1.5
233.05891	1.4
233.81253	1.3
235.07573	6.0
239.07031	1.4
245.06065	1.2
251.07172	2.1
252.07938	1.8
253.08578	5.1
262.06369	1.3
263.07083	16.2
264.07730	2.0
265.08444	1.7
268.10977	3.9
275.07040	1.6
277.53928	1.4
280.07431	1.7
281.08148	31.7
291.06693	7.0
292.07410	2.6
293.08054	9.7
294.08887	3.5
296.10504	6.9
307.09674	3.2
308.06967	1.2
308.10431	5.2
309.07645	99.0
310.07983	4.9
323.09363	11.8
324.09952	45.8
325.10226	2.2
339.12305	100.0
340.12598	6.2
357.13504	8.5
519.07190	1.2
519.14893	33.1
520.15442	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	519.1867
Annotation	Tetracentronside B
Peak:m/z	Relative Intensity
52.49954	1.1
55.01874	2.5
57.03441	3.9
57.25658	1.1
58.00583	4.1
59.01372	100.0
69.03448	5.1
69.29137	11.5
71.01375	57.7
72.99297	3.9
73.02934	4.2
75.00852	2.1
83.01373	15.8
84.02142	2.3
85.02943	34.0
87.00863	18.2
89.02435	60.4
93.03448	4.3
95.01373	4.5
98.19862	2.0
99.00856	11.7
101.02438	42.0
102.26129	1.2
105.33256	1.2
108.02163	3.8
108.17822	1.1
109.02953	2.8
113.02431	22.6
115.34094	1.3
119.03492	35.1
119.04929	3.3
120.57365	1.3
121.02924	6.7
122.03723	26.6
123.04551	2.6
125.02379	1.8
131.03522	2.6
131.04996	2.0
135.04430	3.1
135.98395	1.2
136.01718	1.3
137.05063	1.9
137.06087	26.1
143.03493	4.0
146.03665	2.8
147.04475	2.3
149.04575	1.8
149.05998	1.6
151.03984	2.4
157.06558	1.7
159.04536	7.0
160.05237	3.1
161.04683	1.8
161.06056	4.7
163.03960	3.5
167.71794	1.5
171.04382	1.9
173.04575	8.1
173.05914	2.3
175.04012	2.3
175.07576	1.4
176.04726	1.5
177.01886	3.7
177.05573	2.5
179.05576	4.6
179.07123	5.6
188.04848	7.1
189.05481	5.1
191.07092	2.6
195.06552	1.3
203.07140	7.1
204.07730	2.7
205.05045	19.8
206.05251	1.7
219.06616	6.5
221.08104	1.5
261.07587	10.7
273.07727	2.3
277.08701	2.8
278.09818	1.8
293.08340	1.8
294.09091	3.5
295.09631	3.0
296.10709	1.3
303.08667	7.8
305.08353	1.6
306.08868	8.5
308.06732	1.6
309.11328	7.9
312.09985	4.5
323.09195	15.6
324.10031	6.7
327.12329	6.0
339.12305	56.2
340.12686	5.3
357.13190	19.0
437.12454	1.3
519.18622	83.2
520.19049	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	519.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73521	0.3
52.94228	0.2
57.82982	0.2
59.01373	0.7
65.64216	0.2
66.19175	0.2
69.38277	1.9
70.70989	0.2
71.01373	3.1
73.02937	0.9
82.02988	0.4
83.01391	0.2
85.02935	1.5
88.98803	0.5
89.02478	0.3
93.03452	0.7
95.01349	0.4
97.02956	0.2
99.00855	0.3
101.02435	1.2
104.03519	0.5
108.02177	1.1
108.04540	0.4
109.02946	0.7
112.04085	0.2
113.02442	1.0
121.02935	4.2
122.03752	3.1
123.00917	0.3
124.01633	0.4
129.06680	0.3
134.03716	0.8
135.04512	0.5
136.01645	69.6
137.02315	2.2
145.06651	0.3
149.06021	0.5
151.03989	100.0
152.04329	2.6
159.04507	0.7
160.05286	1.0
161.02385	0.8
161.04582	2.1
162.03221	1.5
163.04015	1.2
175.03918	0.6
175.07541	1.2
177.05524	1.0
179.03487	0.6
187.04099	0.5
189.05605	0.4
190.06281	0.3
203.07161	0.3
227.06671	0.3
241.05084	0.3
257.07764	0.8
267.12219	0.6
291.06500	2.6
311.12900	0.6
342.11050	4.9
343.11670	0.2
357.13379	94.3
358.13736	6.5
447.81290	0.3
519.19983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88381	0.2
56.82545	0.2
59.01370	0.9
69.03480	0.3
71.01370	2.8
73.02946	0.8
77.00919	0.2
83.01389	0.2
84.02151	0.3
85.02934	1.4
89.02457	0.2
93.03439	1.1
95.01421	0.3
98.19807	0.4
99.00851	0.4
101.02434	1.3
103.17427	0.2
107.73808	0.2
108.02171	1.1
109.02961	0.4
113.02430	1.1
121.02115	0.4
121.02945	4.9
122.03741	2.9
123.00909	0.3
123.04533	0.3
124.01618	0.3
133.02910	1.0
134.03726	0.9
135.04497	0.9
136.01643	72.1
137.02327	2.6
145.06569	0.3
147.04500	0.2
149.06026	0.5
151.03986	100.0
152.04303	2.6
154.02695	0.3
159.03142	0.3
159.04503	0.8
159.97339	0.2
160.05261	1.6
161.02437	2.3
161.04568	1.5
161.05791	0.4
162.03198	1.6
162.46753	0.2
163.04053	1.5
173.04488	0.2
175.03882	0.6
175.07599	1.6
175.60085	0.2
176.04794	0.3
177.01971	0.3
177.05533	1.0
179.03456	0.9
187.03996	0.4
189.05472	0.6
193.05133	0.4
203.07182	0.2
211.06085	0.2
256.07199	0.4
291.06482	0.3
311.13046	0.4
342.07117	0.4
342.11023	4.7
343.11337	0.4
357.13373	94.1
358.13724	6.5
373.11633	0.2
379.31619	0.2
392.29990	0.2
487.24634	0.2
519.15112	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1862
Annotation	Tetracentronside B
Peak:m/z	Relative Intensity
54.07040	0.8
55.01855	1.0
57.03429	1.3
58.00593	4.1
58.71575	0.7
59.01374	100.0
61.98822	3.3
62.42334	0.8
64.64263	0.9
67.01850	1.0
70.89767	1.3
70.90095	1.5
71.01376	58.8
72.06815	0.8
72.99297	6.1
73.02588	0.8
73.02951	3.8
82.95411	3.0
83.01394	2.6
85.02946	12.4
87.00874	4.2
89.02436	62.8
90.80464	0.7
93.03436	0.9
95.01382	4.2
99.00845	1.6
101.02438	35.7
106.06613	4.0
108.02180	5.1
109.02959	1.3
111.00877	1.2
111.04538	1.1
112.90394	0.7
113.02438	22.5
117.97318	1.9
119.03495	29.3
121.02921	1.7
123.04520	6.1
125.02425	1.1
131.03502	3.7
135.04501	4.2
135.98370	2.0
136.01646	2.1
137.02412	1.2
143.03522	6.3
145.02966	1.2
149.04576	4.5
150.52974	0.8
151.03986	3.4
160.05255	1.3
161.02461	1.8
161.04536	7.9
163.04004	1.4
164.07152	15.4
166.80238	0.8
173.04553	1.3
176.04817	1.0
179.03548	4.2
179.05598	12.9
179.07129	1.4
191.05653	1.2
191.07179	0.9
194.08188	0.8
194.26878	0.8
204.10173	0.9
209.06956	0.8
221.08217	1.8
260.03928	0.7
311.09775	0.9
316.66913	1.0
324.10385	6.5
337.09399	2.2
339.12323	10.6
355.11429	0.9
357.13376	4.4
371.12817	0.8
383.13419	16.4
384.13229	3.0
399.23859	1.2
405.13269	0.9
417.24780	1.5
519.17993	10.7
519.31421	2.6
520.18121	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	519.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	36.8
69.69102	5.2
69.69518	2.4
71.01375	17.8
74.41914	1.1
82.28922	1.1
85.02946	2.8
89.02431	19.2
94.44226	1.2
101.02427	13.1
113.02409	8.0
119.03465	9.0
123.04504	6.3
135.04500	34.2
142.28696	1.2
153.05553	7.3
179.05553	1.6
315.10794	100.0
316.11139	3.6
382.58804	1.2
461.09320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.4
59.01374	100.0
60.99279	2.6
61.98828	6.6
69.03479	1.9
71.01372	25.6
71.49124	3.0
73.02934	13.1
75.00854	1.9
76.62704	1.9
83.01386	4.1
85.02946	12.1
87.00883	2.6
87.04508	8.9
88.98810	5.2
89.02435	15.7
93.03417	3.1
95.01362	3.7
99.00889	4.3
101.02433	18.3
104.03619	2.0
109.02949	2.5
113.02435	20.1
119.03487	4.4
119.05067	2.3
119.35934	2.0
125.02396	2.1
131.03517	2.5
133.02945	7.8
135.04509	9.9
143.03513	2.9
149.04561	3.3
151.04027	2.6
161.02452	15.7
161.04533	9.1
173.04550	10.6
179.03519	8.8
179.05658	2.6
227.06732	2.9
271.19223	4.9
291.06293	2.3
300.95206	2.1
339.12378	2.1
345.22278	2.1
357.13150	3.8
393.63330	4.3
394.13458	3.0
415.23309	26.6
433.24515	7.4
469.18781	2.0
475.25601	3.7
496.85098	2.2
519.14722	4.6
519.27521	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
56.19840	1.3
57.03428	4.3
57.17696	1.3
58.00596	3.9
59.01376	100.0
61.98818	2.5
69.03445	2.7
71.01376	87.0
71.12212	3.8
72.23161	1.5
72.99297	4.3
73.02934	29.4
75.00863	1.5
75.63806	1.4
81.03418	1.6
83.01392	13.4
84.46277	1.4
85.02942	34.1
87.00876	5.6
89.02439	46.0
93.03453	4.9
95.01392	6.0
97.02928	3.8
99.00865	16.4
101.02432	81.3
111.00907	1.5
113.02444	36.1
115.04009	2.8
119.03506	10.8
119.05029	2.3
125.02452	5.7
131.03497	9.6
133.02933	2.0
134.03787	1.6
135.04530	8.3
137.02423	2.4
137.06059	10.4
143.03444	3.5
144.14771	1.5
149.04546	20.9
159.02979	4.2
161.02509	7.5
161.04539	19.4
173.04509	16.3
179.03450	5.7
179.05589	4.0
191.05681	6.4
199.09631	3.3
217.94258	1.5
251.07658	1.7
313.09360	1.5
315.18158	9.0
327.18271	8.4
332.22760	1.5
357.19165	4.0
370.09314	3.6
373.15024	8.4
458.64636	4.4
459.22311	74.1
460.22708	4.8
477.23386	56.6
478.23474	4.0
519.24432	14.0
519.31488	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	519.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37310	1.5
55.01855	6.4
57.03428	5.8
57.38493	1.5
58.00578	3.1
58.79784	1.5
59.01373	100.0
61.98816	3.1
64.74817	1.6
69.03413	3.2
71.01372	89.8
71.04991	1.9
71.60975	2.3
72.99300	7.0
73.02932	28.6
75.00842	2.6
82.95381	2.2
83.01373	14.4
85.02937	37.6
87.00855	6.5
88.27896	1.3
89.02433	54.6
93.03435	6.2
94.69518	1.7
95.01353	4.9
96.96031	1.6
97.02904	3.1
99.00850	14.9
101.02427	79.6
112.79387	1.6
113.02438	37.1
119.03467	11.3
119.05008	2.1
125.02399	6.5
129.01894	2.3
131.03459	7.4
133.02963	2.4
134.03749	1.9
135.04494	8.3
137.02406	2.5
137.06042	8.9
143.03441	6.7
145.02930	2.6
148.58894	1.6
149.04509	23.1
155.10815	2.2
159.02962	4.7
161.02383	7.0
161.04521	26.1
173.04539	15.3
179.03470	5.7
179.05574	3.9
191.05540	7.0
199.09715	3.9
218.20160	1.8
235.12083	1.7
251.57802	1.7
315.18066	9.9
327.18079	11.4
357.19159	3.3
370.09082	2.1
373.14929	10.1
405.61935	2.0
459.22272	69.1
460.22592	6.2
477.23398	63.1
477.30020	2.3
478.23746	3.0
519.24359	13.8
519.31396	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37310	1.5
55.01855	6.4
57.03428	5.8
57.38493	1.5
58.00578	3.1
58.79784	1.5
59.01373	100.0
61.98816	3.1
64.74817	1.6
69.03413	3.2
71.01372	89.8
71.04991	1.9
71.60975	2.3
72.99300	7.0
73.02932	28.6
75.00842	2.6
82.95381	2.2
83.01373	14.4
85.02937	37.6
87.00855	6.5
88.27896	1.3
89.02433	54.6
93.03435	6.2
94.69518	1.7
95.01353	4.9
96.96031	1.6
97.02904	3.1
99.00850	14.9
101.02427	79.6
112.79387	1.6
113.02438	37.1
119.03467	11.3
119.05008	2.1
125.02399	6.5
129.01894	2.3
131.03459	7.4
133.02963	2.4
134.03749	1.9
135.04494	8.3
137.02406	2.5
137.06042	8.9
143.03441	6.7
145.02930	2.6
148.58894	1.6
149.04509	23.1
155.10815	2.2
159.02962	4.7
161.02383	7.0
161.04521	26.1
173.04539	15.3
179.03470	5.7
179.05574	3.9
191.05540	7.0
199.09715	3.9
218.20160	1.8
235.12083	1.7
251.57802	1.7
315.18066	9.9
327.18079	11.4
357.19159	3.3
370.09082	2.1
373.14929	10.1
405.61935	2.0
459.22272	69.1
460.22592	6.2
477.23398	63.1
477.30020	2.3
478.23746	3.0
519.24359	13.8
519.31396	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01373	100.0
61.98823	6.3
62.00910	1.1
68.55370	1.1
71.01372	14.4
71.61284	1.6
73.02937	5.2
78.22069	1.3
80.91674	2.1
82.95413	1.1
83.01384	2.4
84.04787	1.2
85.02950	10.3
89.02432	3.8
93.03403	1.1
94.96466	1.5
95.01379	1.3
96.95970	1.7
97.02959	1.5
99.00871	2.5
101.02441	9.2
107.05013	1.3
111.00843	2.0
113.02449	7.2
117.03430	4.2
119.04999	1.8
125.02417	3.4
135.04494	1.3
137.06065	1.3
143.03471	2.8
145.02934	14.5
161.02419	2.9
161.04457	1.8
163.03952	3.3
165.63733	1.3
173.04491	3.0
183.34659	1.0
212.33322	1.2
221.19885	1.3
271.22705	2.4
279.11243	1.5
304.16931	1.2
348.82822	1.1
355.21628	1.2
373.14944	2.1
387.25406	2.7
415.26959	22.7
433.28000	18.2
434.28229	2.0
457.33075	2.4
459.29596	2.8
475.28412	1.6
477.30453	2.1
488.18143	1.7
519.21838	2.7
519.32886	8.9
520.21326	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38877	0.4
59.01373	100.0
60.01703	1.1
61.95482	0.5
61.98810	2.1
62.80728	0.4
70.15576	1.6
78.95895	12.8
85.02936	1.0
87.04514	0.4
89.03170	0.4
96.96953	1.2
98.20541	0.5
136.01671	0.5
150.97926	0.5
151.04001	0.7
152.99568	25.1
171.00626	0.9
198.97531	0.4
214.25745	0.4
345.27988	1.3
357.13474	0.6
379.30234	0.5
421.31137	0.6
423.32501	2.5
424.32944	0.5
429.33755	0.7
439.32092	3.2
441.29901	1.2
459.34735	60.7
460.35095	6.9
483.30948	0.6
511.59937	0.4
519.26007	3.2
519.33411	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	519.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17744	0.4
57.49066	0.4
59.01371	100.0
60.01715	0.8
61.98819	5.2
69.33718	3.5
74.76348	0.3
78.95905	1.6
87.00880	0.7
121.02943	1.1
134.43668	0.4
135.04539	0.8
136.01674	0.4
138.92462	0.4
148.27008	0.4
151.04001	0.6
151.59618	0.4
152.41342	0.4
152.99559	2.4
189.13087	0.4
202.10449	0.4
337.99817	0.5
357.13287	0.7
459.34891	1.3
483.31335	1.0
519.32385	1.1
519.37970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11620	0.3
59.01371	100.0
60.01702	0.5
61.98821	0.4
71.61450	0.5
74.58201	0.4
78.91865	3.3
115.52158	0.4
127.66892	0.3
144.85483	0.4
152.99576	0.5
162.93381	0.3
177.09361	0.4
235.03987	0.4
244.66499	0.4
356.53494	0.4
455.86575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98832	2.7
66.54194	1.1
68.53577	1.3
71.61941	1.5
75.00886	2.6
78.95901	9.5
85.04951	1.3
133.02927	1.9
152.99536	5.9
161.02417	4.0
234.15196	1.3
277.21716	11.5
279.23209	4.6
280.23648	5.3
296.05188	1.6
342.07242	4.1
342.57373	1.8
445.23560	4.4
488.93103	1.4
519.20959	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08390	0.3
52.65247	0.3
53.93093	0.3
59.01374	100.0
60.01722	1.0
71.61608	0.3
75.00865	5.2
138.76875	0.3
228.28012	0.3
413.14038	0.3
441.33859	0.3
459.38300	0.8
538.07904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62756	0.4
58.21133	0.3
59.01373	100.0
60.01696	1.0
60.62992	0.4
61.98817	1.2
62.51422	0.3
66.51781	0.4
71.09235	1.0
72.72082	0.4
78.95896	26.0
96.96964	2.8
125.48021	0.5
135.29962	0.3
136.01651	0.5
150.98001	1.1
151.03998	0.8
152.99571	51.8
153.75587	0.3
153.99890	0.7
171.00645	1.8
331.98068	0.4
357.13455	0.8
365.26746	0.5
400.86462	0.4
411.32556	0.4
429.33142	0.4
455.31573	0.6
459.34937	1.9
519.26666	8.2
519.33295	2.6
520.27429	0.9
520.34094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03359	1.2
54.70864	1.2
57.52079	1.2
58.99591	3.7
59.01373	100.0
60.01730	2.9
61.01778	1.9
61.98817	1.6
62.30750	1.0
62.69720	1.2
67.29115	1.3
68.54993	1.2
69.03452	1.9
71.01392	10.1
71.62756	1.3
73.02937	2.5
80.05058	3.6
81.03426	1.9
83.01363	1.4
83.04992	2.4
85.02933	8.0
86.00708	1.7
86.03285	1.4
88.83682	1.2
89.02426	12.0
93.03437	12.0
94.03791	4.7
99.00901	2.5
99.04510	2.7
101.00649	6.4
101.02407	8.2
107.05025	2.1
108.04546	6.8
109.01211	1.3
109.02964	1.5
109.04895	2.8
109.05694	1.2
111.00859	3.4
111.04505	12.2
111.15742	1.3
112.04837	5.6
113.02444	1.7
119.03432	1.9
121.02934	1.7
123.04510	10.4
124.04833	5.0
125.02496	2.7
125.05063	1.2
126.05555	2.2
127.02221	1.8
127.03977	2.8
131.03479	2.7
134.06142	7.9
135.04449	3.3
135.06454	2.3
137.02417	5.7
137.04691	1.3
140.07121	7.7
141.07507	2.8
144.04562	1.6
149.02428	3.0
149.04520	5.6
152.03503	7.9
152.07121	2.5
153.00208	1.4
153.03764	1.8
153.05571	18.9
154.05928	6.0
155.06114	3.9
158.06000	2.3
161.02400	1.8
164.03542	1.9
164.07004	1.2
166.07457	1.4
166.08656	6.9
167.01682	1.6
167.09012	1.8
167.10599	2.0
168.09279	2.0
170.06082	1.5
172.03889	1.4
173.04536	4.3
176.07138	4.7
177.05545	1.2
178.05063	10.7
179.03552	2.2
179.05417	6.9
180.05542	2.8
190.08728	4.5
191.05464	1.8
195.06616	18.3
202.05106	1.6
202.08740	6.5
203.09036	1.8
204.04877	5.9
208.09784	1.4
220.06149	3.8
234.07620	3.6
234.11349	2.7
235.11688	1.4
236.07483	17.3
236.11800	1.9
248.03802	4.9
264.08725	2.5
265.40854	1.4
273.07587	7.8
274.07959	7.1
275.08331	6.5
278.10233	5.5
279.10693	4.5
280.06430	17.5
280.10828	5.6
289.05457	1.7
293.08865	4.3
306.09723	2.0
307.06689	1.2
317.09299	3.1
346.13028	2.8
347.13187	4.7
348.13379	8.2
372.14319	4.7
382.12845	4.5
386.46310	1.2
402.14203	1.6
416.11578	12.4
416.16229	2.1
434.17462	3.6
460.10571	2.6
460.22443	6.8
494.08752	1.4
508.63901	1.3
519.17487	1.4
519.32355	1.4
520.10962	3.2
520.18243	25.8
521.18036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51349	1.7
59.01371	78.7
61.98513	3.7
61.98820	51.1
65.50544	2.1
66.03488	2.2
68.99803	2.4
69.03432	2.9
71.01041	2.0
71.01373	13.0
71.61145	2.9
72.99309	3.0
73.02892	2.0
80.68484	1.9
83.05014	2.4
84.04520	3.2
85.02911	4.2
89.02419	14.2
93.03505	2.0
94.02944	2.3
95.05008	5.4
96.95992	29.3
100.03994	2.4
101.02431	11.6
102.05614	16.7
113.02429	6.1
116.05070	2.6
119.05003	6.4
120.03615	1.9
121.02958	3.3
123.04498	2.6
124.43210	1.8
128.03569	2.5
129.01886	1.9
130.99799	2.8
131.03499	2.5
132.08176	3.3
133.02936	2.4
134.06065	6.6
135.03270	3.0
135.04478	7.0
135.08182	1.9
137.06073	14.1
141.01881	2.2
144.04530	3.0
145.05267	15.7
146.04597	9.6
148.04015	16.1
149.02402	4.1
149.04544	7.8
150.05569	23.5
152.03505	14.0
152.71262	1.9
158.06084	6.9
160.03972	2.4
160.07663	17.2
161.02380	6.8
162.05598	28.1
164.04745	7.2
164.07140	7.8
165.04279	7.6
166.05115	2.9
173.04756	9.0
174.05542	6.8
174.09164	5.3
175.06361	3.0
176.07085	8.2
177.04207	4.8
177.05589	3.1
177.09222	13.6
178.05031	10.2
179.03392	6.1
179.05743	3.2
179.07109	7.3
180.06619	29.8
188.03467	2.9
188.07118	27.0
190.05048	3.2
190.08722	35.1
192.10252	3.7
194.04524	2.3
194.08209	4.8
202.08655	9.3
204.10284	3.1
206.04547	16.9
208.06073	2.4
212.09189	10.5
220.06114	5.4
220.09752	100.0
221.10034	3.9
230.08134	3.5
234.07549	2.2
238.07164	3.5
246.07672	3.3
248.09189	8.5
253.07103	3.2
264.08768	14.4
266.10315	7.7
281.11371	6.0
294.98737	2.2
296.11249	17.3
306.09784	4.1
326.10141	10.1
356.13385	3.8
358.12988	5.1
444.16483	11.6
476.19275	18.5
477.19733	3.2
488.15417	3.7
520.18103	87.9
521.19568	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	520.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06358	0.7
55.29843	0.6
59.01372	100.0
60.99303	6.7
67.01880	1.6
68.99812	0.9
69.28461	6.8
71.01387	1.4
72.00906	0.9
73.02953	0.8
74.02473	1.0
83.01402	0.7
84.04542	0.7
89.02438	0.9
93.03436	0.7
94.02943	0.8
101.02428	1.3
104.03527	1.7
107.04974	0.8
110.52534	0.7
111.72575	0.6
111.77660	0.7
119.05019	1.9
120.63215	0.6
124.04010	1.6
126.05599	1.3
131.04987	1.1
133.06529	0.7
135.04529	0.9
137.06068	13.2
141.09171	1.8
142.06631	3.4
144.04506	1.4
145.02985	0.7
149.06061	0.9
151.03920	1.0
153.09175	5.7
158.06065	2.9
159.06944	0.7
160.04062	0.9
160.05270	2.2
160.07608	2.1
161.06030	1.8
162.05586	1.5
163.03983	1.3
170.06107	5.5
171.10219	1.6
172.03981	0.9
172.07587	0.9
174.05536	1.6
175.06303	1.0
175.07646	2.2
176.07086	5.7
177.05527	6.6
178.04974	1.6
179.07111	1.2
181.82420	0.7
186.05569	2.9
186.09290	0.9
187.06351	6.1
188.07127	6.2
190.08728	4.6
191.07188	0.9
193.08690	2.9
197.08157	2.8
200.07140	1.9
202.08711	26.2
203.08975	1.2
204.06584	3.9
209.04495	5.7
215.09210	12.5
216.06593	4.0
218.08176	2.3
219.08978	1.6
220.09726	4.6
221.08138	0.9
230.08183	1.6
232.09755	2.9
234.07584	2.1
234.11316	43.4
235.11670	3.1
244.09683	0.9
246.07719	3.4
252.08713	1.3
262.10800	4.4
264.08780	1.2
264.11984	0.6
266.10220	1.6
278.10294	83.4
279.10654	3.6
288.08719	1.8
294.13528	1.2
296.11353	8.4
308.11377	11.5
310.09192	1.5
312.14566	0.7
320.11163	1.0
329.90350	0.8
338.12411	22.1
339.12637	1.3
340.10272	0.8
356.13373	3.9
384.14310	1.7
416.17050	1.2
458.18069	0.9
490.17075	4.8
502.17386	1.3
520.18140	26.2
521.18048	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	520.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01371	100.0
60.01698	1.2
61.98821	1.6
64.70071	0.5
66.03448	0.7
66.54854	0.5
70.36847	0.5
71.01365	2.9
71.62460	0.6
71.62818	0.5
72.99286	0.8
73.02937	0.8
75.00882	1.5
77.22766	0.5
84.04537	7.9
85.02942	5.4
87.00832	0.9
87.04510	2.2
89.02450	1.3
92.05043	0.8
93.03466	1.6
99.00872	0.8
100.04031	1.3
101.02449	2.1
102.05595	24.1
106.06605	8.0
107.05002	2.0
108.04560	1.0
112.41038	0.5
113.02435	2.1
116.05049	1.6
117.03476	0.6
118.06636	1.8
119.05027	1.5
120.04516	5.2
121.02953	1.6
122.02473	17.3
122.03335	1.1
123.04527	2.1
124.04015	1.7
125.05994	1.1
131.03781	0.6
132.04546	2.2
134.02541	0.8
134.03745	1.4
134.06065	3.7
135.04521	5.8
135.98401	0.7
136.07672	2.4
137.02441	0.8
137.06102	0.5
138.05630	1.0
144.04541	1.3
146.06078	3.4
148.04099	0.7
148.07738	0.8
149.02461	0.6
149.04817	1.9
149.06018	1.1
150.05605	2.2
151.03999	2.4
152.03400	0.7
152.04471	0.9
152.07135	5.2
153.05554	2.0
153.09233	0.5
160.04016	1.1
160.07675	1.2
160.11270	0.6
161.02434	1.8
161.04817	0.8
162.05579	17.3
162.06911	0.9
162.09248	1.7
163.02721	0.7
163.03981	1.3
163.06058	0.6
164.03505	2.2
164.07138	40.1
165.05589	1.5
165.07500	1.2
166.05077	4.3
174.05702	0.9
174.09192	1.0
175.03963	1.0
176.07118	7.5
176.10806	0.7
177.01927	2.2
177.05559	4.3
178.02441	1.0
178.05058	20.3
178.08580	2.5
179.03502	4.7
179.05045	0.6
179.05707	0.7
179.07170	2.2
180.06665	1.4
181.05125	0.7
186.09254	2.2
188.03572	0.9
188.07149	1.4
192.06625	1.8
193.05174	0.6
194.08192	14.4
194.09955	0.9
194.11861	0.9
195.06595	39.1
196.06967	1.0
202.08736	1.2
204.10223	4.4
206.04526	4.7
206.08212	0.8
208.06104	3.9
211.03433	0.6
214.96130	0.5
218.08147	0.9
218.11945	0.8
220.06160	2.5
220.09677	2.6
221.04532	4.2
222.07671	2.7
224.50470	0.6
230.08269	1.6
232.06189	0.9
236.09409	0.7
238.07185	2.6
238.10854	1.4
246.11000	0.5
248.09145	2.4
249.06030	0.8
250.07059	0.8
262.10880	1.1
264.08685	1.9
266.10367	0.5
267.07114	1.2
268.07648	0.7
270.17810	0.6
278.06631	1.7
280.11850	3.4
281.06531	5.0
282.09793	0.7
294.09772	0.8
299.38217	0.5
324.10803	17.0
325.11414	0.7
340.13953	1.8
342.09515	0.9
342.12112	0.5
357.09744	1.2
357.13733	0.8
358.13660	2.4
384.12955	25.1
385.13293	1.5
386.12363	0.5
417.11890	1.7
418.15125	2.1
428.13583	2.2
442.15021	1.8
460.16058	31.5
461.16287	1.7
478.17355	1.2
482.21140	1.0
488.15530	0.6
502.17331	0.8
520.18109	66.6
520.24835	10.6
521.18372	5.6
521.24725	0.7
521.33075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46412	0.4
58.22654	0.5
59.01370	47.9
60.01702	1.2
61.98822	100.0
68.99807	1.0
69.03442	0.7
71.01369	4.4
73.02943	1.8
79.59150	0.5
83.01349	0.5
85.02953	1.6
89.02441	1.2
95.01363	0.7
96.38218	0.4
96.96027	0.8
98.20675	0.8
99.00887	0.6
101.02431	4.5
113.02432	2.5
122.02472	0.5
133.02876	0.4
135.04492	1.4
143.03526	0.5
149.02452	0.6
150.03178	0.4
152.03548	0.7
161.02490	1.9
161.04562	1.5
162.05595	0.5
179.03525	1.4
195.06651	0.6
203.05609	2.7
213.01274	0.5
215.09335	1.1
221.06668	0.8
229.45625	0.6
292.01505	0.5
326.60321	0.6
351.12143	0.5
358.13931	0.6
384.13031	0.5
391.26434	0.5
399.23978	0.7
400.24423	1.5
413.21896	1.1
460.26385	0.6
471.32397	0.5
520.18549	1.5
520.64294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60036	0.8
59.01373	82.3
59.69613	0.8
67.01885	2.0
71.01376	1.9
72.68535	0.8
82.95415	1.2
107.05032	1.4
111.00869	2.8
114.09245	1.0
119.05017	2.1
120.04527	1.2
122.02435	1.1
123.04506	4.2
124.04045	2.7
129.95030	0.8
130.08719	2.0
134.03821	0.9
134.06058	2.0
135.04504	2.2
136.01689	0.9
136.03914	0.9
137.06071	1.1
138.05544	1.2
146.02545	1.1
147.04439	1.1
148.04022	2.0
149.06096	2.1
150.05635	2.2
151.03992	22.6
151.07541	1.4
153.05556	4.4
159.06892	1.4
160.03998	1.1
161.04785	2.6
162.05603	0.8
162.09290	0.8
163.06310	1.0
163.07655	1.1
164.04819	0.9
164.07088	1.8
166.05081	1.3
176.07147	4.1
176.10791	1.5
178.05078	10.5
179.07053	1.6
180.02959	5.8
180.10283	6.1
188.10771	2.9
188.14435	1.4
190.05168	1.0
190.08687	3.7
191.05879	2.0
192.06679	5.1
193.05054	0.8
195.06595	33.4
196.06836	0.9
202.12352	5.6
204.13908	8.2
206.11681	1.1
214.12367	2.5
216.10327	1.9
220.09746	6.3
220.13417	1.0
230.11845	1.8
232.13383	13.3
234.11354	3.9
234.14925	8.1
235.12062	1.8
240.30916	0.9
246.15004	6.1
248.12888	8.5
253.07155	4.9
264.16016	9.4
276.12381	3.4
276.94693	0.8
279.11084	2.5
280.15540	2.7
290.13931	4.2
293.28732	0.8
294.13446	32.6
295.13742	1.0
308.14987	10.5
324.14352	7.8
340.17578	10.3
412.17752	1.5
426.19211	1.3
439.13184	0.9
444.20175	5.7
447.17896	0.9
459.17435	0.9
488.19055	4.9
520.21796	100.0
521.22290	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	520.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
58.02970	1.5
59.01088	0.9
59.01373	11.2
60.01696	0.6
61.98816	4.6
62.96230	0.3
71.01374	2.2
71.61636	0.5
73.02952	0.7
75.00858	0.4
82.95396	0.7
83.01378	0.6
85.02948	1.6
89.02438	0.9
92.39341	0.5
94.06618	0.5
96.95971	0.5
99.00852	0.5
101.02463	1.8
101.06074	4.0
102.06413	0.6
107.03764	0.8
109.06576	0.9
112.98577	0.5
113.02457	1.0
119.03594	0.6
119.05020	3.6
120.05367	1.4
122.06113	5.7
128.10793	8.1
130.08723	100.0
131.09053	1.5
134.06104	0.5
135.04446	0.9
145.02934	0.6
151.03989	0.5
152.07152	9.6
153.07698	0.5
161.02432	1.1
163.03981	2.1
164.04314	0.8
165.12900	1.0
179.03528	0.8
180.07368	0.5
236.09534	0.6
249.10181	0.8
251.11824	1.6
263.08231	1.6
264.08990	3.5
276.09131	0.5
277.09915	1.1
278.10541	1.9
279.11356	9.2
291.11530	2.5
304.19055	0.7
305.09399	0.8
311.13831	0.6
317.21152	1.4
322.20184	89.3
323.10199	1.2
323.20566	5.7
442.28897	0.5
444.19333	2.2
445.19760	0.7
457.33356	0.8
458.33459	4.0
460.29745	2.2
476.21344	0.6
477.10178	0.5
478.31033	1.0
488.18173	10.7
489.18497	1.1
502.32535	1.5
512.25415	0.5
520.20862	7.3
520.32825	3.2
521.20917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95615	0.4
59.01370	5.8
60.01717	0.5
61.98822	100.0
71.31081	0.8
72.69917	0.4
79.88609	0.4
120.17959	0.4
140.59096	0.4
154.96266	0.4
165.12877	0.4
193.15915	1.1
213.97949	0.4
267.16104	1.5
268.16400	1.8
276.62421	0.5
348.91476	0.4
480.39081	0.4
520.33636	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	521.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	6.0
59.01373	5.4
67.01852	1.3
71.01380	5.5
71.19683	2.5
72.00905	1.3
73.02943	1.5
74.02460	15.1
82.02969	3.6
83.01370	4.7
85.02936	2.3
87.05629	6.7
88.98798	1.7
89.02411	3.2
96.04527	8.1
96.96005	3.0
97.04063	10.5
98.02467	3.2
99.05618	10.1
100.00387	6.6
101.02431	6.8
105.99674	18.0
108.04529	7.0
109.04076	1.3
110.02458	1.5
112.04029	9.7
112.07660	10.3
113.02428	4.8
113.03561	4.9
119.03497	2.0
119.05019	1.2
120.04445	1.1
122.06089	3.4
124.04021	8.5
125.03547	2.5
125.04805	2.4
126.05583	2.0
127.05128	9.5
131.04570	1.8
135.04480	1.1
137.07166	4.6
138.05618	1.7
139.08760	1.0
140.07166	11.4
142.03284	2.3
143.04611	3.8
151.05075	3.0
152.03522	5.1
155.08246	20.0
158.02745	5.3
160.00763	2.0
165.06667	18.2
166.05063	1.5
169.06161	2.9
173.04475	1.7
173.08209	1.0
177.03392	1.5
181.06133	3.1
183.07719	23.3
191.05527	2.1
209.05542	1.1
215.06763	2.5
216.19768	1.0
227.06699	68.2
228.06885	2.0
241.05064	1.7
242.05963	1.2
257.08130	2.9
259.03882	42.3
260.04117	1.5
261.05447	100.0
262.05762	4.2
290.30771	1.0
293.02670	1.7
359.11273	1.7
461.16589	10.3
477.17508	2.5
521.10022	16.4
521.17285	2.0
522.10065	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	521.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02958	7.3
59.01377	5.7
71.01373	4.6
71.19347	1.0
71.19688	2.3
74.02466	12.8
81.41909	1.0
82.02990	3.7
83.01363	6.2
85.02952	1.5
85.04073	1.9
86.02456	1.4
87.05623	7.0
89.02451	2.0
96.04533	7.9
96.96012	3.0
97.04063	9.3
98.02459	4.4
99.05641	10.3
100.00378	6.8
101.02445	4.4
104.61035	1.0
105.99674	14.3
108.04548	7.6
109.04075	2.5
110.02495	2.1
112.04015	8.9
112.07677	7.0
113.02436	3.7
113.03566	3.7
119.05019	1.7
119.13112	1.1
122.06110	3.5
124.04018	8.0
125.03573	2.5
125.04816	2.7
126.05607	1.9
127.05146	9.3
131.04628	1.1
135.04469	1.1
137.07187	4.5
138.05621	1.7
140.01741	1.6
140.07170	12.0
142.03259	2.2
143.04584	3.5
151.05135	2.5
152.03497	4.2
155.08241	18.2
158.02858	5.3
165.06671	13.8
169.06137	2.8
177.03415	1.2
177.91257	1.1
181.06210	3.5
183.07703	22.7
191.05597	2.0
215.06662	3.6
225.05066	1.8
227.06696	68.4
228.07021	2.5
241.04951	1.7
242.06044	1.0
256.07370	1.4
257.08054	3.0
259.03879	40.2
261.05444	100.0
262.05673	3.6
293.02762	2.8
299.11246	1.5
324.59689	1.1
372.87735	1.1
385.63593	1.1
442.48581	1.3
461.16562	10.2
462.16635	1.2
477.17578	2.9
521.10065	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	521.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12223	1.2
58.00574	1.3
59.01374	25.8
60.99313	6.1
61.98785	1.3
71.01378	21.0
71.62530	1.0
72.99294	2.2
73.02939	3.0
81.79236	1.2
85.02938	8.0
87.00836	2.9
88.54448	1.2
88.98797	42.3
89.02434	14.9
93.03415	1.8
95.01337	1.9
99.00903	1.3
101.02428	12.6
108.02167	51.6
109.02953	35.0
109.25831	1.3
113.02422	9.6
117.02752	1.2
117.03448	15.5
118.09080	1.2
119.03515	8.3
119.05012	25.1
120.05319	1.2
120.88708	1.3
121.02962	2.6
123.00829	2.3
123.04497	1.5
125.02391	1.4
131.03342	1.3
133.02887	2.0
133.06546	2.2
134.03700	1.6
135.00789	2.9
135.04494	6.6
136.01602	2.4
137.02353	2.0
145.02948	75.8
146.03217	1.7
147.04475	1.5
149.02356	5.5
150.03177	2.4
151.03900	4.9
152.01140	61.3
152.04280	2.4
153.01923	31.2
160.05153	2.3
161.02318	3.8
161.04500	1.7
161.05989	5.4
162.03084	1.2
163.03990	29.8
164.04733	2.9
165.05380	2.0
175.00377	8.2
175.03851	1.9
175.07460	1.5
176.01129	9.1
177.01854	1.5
177.05536	3.0
179.03534	1.3
179.05490	2.4
189.05495	1.6
190.02715	24.3
191.03468	15.7
195.06467	1.8
205.03223	1.6
205.05032	21.4
206.05219	2.2
209.04565	2.7
223.05983	3.8
235.06044	3.2
265.06961	3.9
271.67450	1.2
311.12717	1.2
315.07169	22.2
323.12784	1.3
329.13803	1.7
331.13974	6.9
341.13513	4.6
344.12943	1.6
353.08539	4.1
354.09070	1.5
358.13663	2.9
359.14035	5.8
367.09726	1.8
375.12875	12.8
398.43506	1.2
433.18427	5.7
477.17731	22.0
478.18198	2.1
521.12585	100.0
522.12524	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1656
Annotation	Albidoside
Peak:m/z	Relative Intensity
51.09402	0.5
51.93249	0.6
59.01371	6.6
61.70504	0.5
61.98849	1.1
65.09464	0.5
67.01888	0.5
68.11230	0.5
69.03458	0.7
69.34541	3.4
69.34958	1.2
71.01378	4.4
71.58296	0.5
73.02951	1.1
75.00874	2.5
83.01397	0.6
85.02956	2.2
87.00893	0.9
89.02452	1.4
93.03447	5.4
93.74223	0.6
94.03806	1.1
99.00862	0.6
101.02443	2.1
109.02959	0.8
113.02457	2.1
116.25252	0.6
117.03451	22.2
117.04242	1.2
119.05010	14.2
119.05865	0.6
121.02922	3.0
122.03709	4.0
123.04504	2.0
123.45363	0.5
125.02434	0.7
133.02945	6.6
134.03725	5.3
135.04506	6.3
137.02435	1.7
145.02939	100.0
146.03290	2.9
149.02448	1.5
149.06084	3.3
150.03207	30.1
151.03807	0.6
152.07187	0.6
153.05557	1.5
155.03471	1.2
155.10767	2.1
159.04507	1.2
161.02434	17.6
161.04558	0.9
161.06064	1.5
163.02916	0.3
163.03992	14.9
165.05553	41.2
166.04919	1.0
166.06056	1.1
173.04532	7.6
173.05977	1.2
174.04886	0.6
175.03786	0.6
175.05118	0.6
177.05554	1.0
179.03473	3.2
180.04028	0.6
185.11853	1.1
187.03972	1.6
190.02696	0.8
191.05432	0.9
193.05057	1.4
195.06567	1.9
205.05022	1.9
221.04584	1.0
247.06232	0.8
299.09207	0.5
300.72653	0.5
307.08176	60.4
308.08551	2.5
323.07513	5.0
329.13629	0.8
335.09634	0.7
341.10556	1.5
347.16827	1.1
355.12997	1.1
359.11081	1.6
359.15054	1.1
373.14587	0.7
400.09805	0.6
503.14984	0.7
521.16357	50.8
522.16992	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	521.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37736	0.5
58.00573	0.7
59.01373	23.0
60.01717	0.6
61.98823	5.7
69.29300	1.8
69.29722	2.9
71.01376	14.3
72.99302	1.1
73.02937	1.9
83.01391	1.1
85.02921	3.3
87.00875	0.9
88.98792	2.5
89.02434	14.8
91.01881	0.9
93.03451	1.6
95.01355	0.8
99.00891	2.3
101.02433	10.0
107.04990	0.5
108.02173	0.9
109.02959	1.7
113.02446	4.5
119.01382	3.8
119.03484	4.2
119.05001	2.2
121.02911	2.9
123.04508	3.4
125.02400	0.9
131.03506	1.0
132.02144	1.0
133.02994	1.3
134.03717	3.4
135.04510	19.7
136.01646	1.5
137.02393	1.1
143.03419	0.6
145.02942	2.7
147.00865	2.4
147.04547	1.1
148.01637	2.4
149.02428	13.2
149.04520	4.2
149.06041	1.4
150.03217	6.3
151.03969	3.7
151.07666	1.1
152.01125	1.0
153.01904	3.1
153.05574	2.6
153.09135	0.5
155.03412	0.5
160.01608	2.0
161.02437	1.9
161.04578	0.8
161.06068	1.2
162.03183	0.6
163.03970	4.2
164.04771	7.1
165.01952	1.2
165.05560	3.4
166.02663	1.0
167.03416	0.8
173.04466	0.6
174.98781	0.8
175.00340	25.3
175.03957	1.8
176.01125	27.9
177.01991	2.9
177.05586	1.5
178.02650	0.8
179.03488	1.2
179.05565	1.1
179.07126	2.2
181.05083	0.8
188.04787	0.6
190.02695	64.2
191.03474	37.6
191.05313	1.3
192.03976	1.7
193.01448	1.4
193.04996	2.3
194.02118	1.6
195.02888	2.0
195.06549	0.8
205.05023	96.6
206.05540	4.4
207.02922	1.0
207.06575	0.9
208.03752	1.7
209.04482	3.5
212.42918	0.5
221.08162	2.3
223.06081	8.5
223.09630	1.0
235.06044	0.9
237.03874	1.0
237.07597	0.7
250.04773	1.0
251.05540	1.5
265.07138	5.0
293.05896	0.7
295.08105	0.6
297.06305	0.6
297.09647	1.1
311.07721	1.1
315.10794	13.2
316.11172	0.6
325.09329	1.3
329.14026	1.2
341.13730	1.7
357.13431	0.7
358.13571	0.7
359.14221	1.4
367.10233	1.1
375.12762	1.4
385.15201	3.2
506.14133	1.0
521.16522	100.0
521.25433	3.2
522.16821	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	521.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.6
59.01369	17.2
61.98819	4.2
71.01367	11.1
71.02428	1.1
71.02788	0.5
72.99291	0.8
73.02937	1.8
83.01408	1.0
85.02911	3.6
87.00873	0.8
88.98803	1.2
89.02428	11.6
91.01869	1.2
93.03456	1.2
95.01324	1.1
99.00858	1.2
101.02426	7.3
103.88445	0.6
109.02904	0.6
113.02431	4.4
119.01363	3.9
119.03487	2.6
119.04996	1.6
121.02967	2.2
122.03733	0.6
123.04532	2.4
124.43261	0.6
132.02145	0.7
134.03728	2.8
135.04509	16.7
135.05495	1.3
136.01555	0.7
137.02403	1.0
143.03441	0.7
145.02946	1.6
147.00870	2.4
148.01649	2.6
148.59406	0.6
149.02428	9.8
149.04515	1.8
149.06096	0.8
150.03227	6.4
151.03954	3.2
152.01175	0.9
153.01921	2.2
153.05574	2.1
160.01682	1.9
161.02461	1.3
161.04640	0.7
161.06044	1.3
163.03978	4.5
164.04781	9.1
165.05539	2.4
165.91418	0.6
173.04720	0.6
175.00336	22.7
175.03987	2.2
176.01114	27.1
177.01817	3.4
177.05452	0.9
179.05655	0.6
179.07124	2.4
190.02682	59.6
191.03470	35.6
192.03877	1.6
193.01321	1.2
193.05011	1.7
194.02151	1.5
195.02982	1.8
205.05019	95.1
206.05539	5.2
207.02943	1.0
208.03716	2.4
209.04498	3.9
221.08176	2.2
223.06071	9.0
236.03220	0.7
237.04076	1.5
237.07596	1.1
251.05588	1.2
265.07123	4.8
297.06165	1.0
297.09528	0.7
311.07837	0.8
315.10812	11.1
325.09158	0.9
341.13745	0.7
359.14133	1.5
367.10272	1.3
375.13068	0.9
385.14920	2.1
410.08478	0.6
478.27094	0.6
521.16486	100.0
522.16962	10.1
541.09259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42440	0.6
56.33086	0.6
57.45533	0.7
57.77900	0.6
59.01381	3.7
60.99190	0.7
69.80953	2.9
69.81362	1.6
71.01376	2.2
71.05022	0.9
72.97536	0.6
72.99306	2.9
73.02942	1.9
75.00867	28.8
78.95861	0.7
81.03448	2.4
82.37491	0.6
85.02949	1.4
87.00877	3.8
89.02454	0.7
99.00881	2.5
113.02455	1.1
131.03513	1.0
135.04500	1.5
143.03467	6.7
161.04552	3.7
179.05592	100.0
180.05995	1.6
186.57375	0.7
191.05598	4.1
192.05905	0.9
193.05948	1.0
207.71742	0.6
209.06564	1.5
341.10614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98923	0.5
55.01855	0.8
57.03429	2.6
59.01373	12.9
60.40326	0.6
61.98819	0.9
67.01872	1.1
68.99809	0.9
69.03461	0.7
69.89673	1.3
69.90092	2.3
71.01376	30.3
73.02939	0.8
75.00874	0.9
83.01398	0.8
84.02170	0.9
85.02943	34.7
87.00866	2.1
88.98755	1.2
89.02434	10.3
93.03461	1.8
95.01382	15.4
96.96010	3.7
97.02927	0.7
98.19957	1.1
99.00807	0.8
101.02449	4.3
103.54428	0.6
109.02944	2.0
111.00867	0.9
113.02437	100.0
114.02772	2.2
116.92878	0.9
119.03542	1.0
121.02956	1.6
123.04521	1.3
127.04015	1.3
131.03491	1.4
135.03023	0.7
137.02435	11.5
138.03215	6.3
139.03964	2.2
141.01923	1.2
143.03471	6.5
149.02408	2.3
150.03139	0.9
151.03996	2.1
155.10721	0.8
161.04544	37.3
163.06071	1.4
165.01917	12.8
165.05540	1.8
166.02690	8.3
179.03413	1.0
179.05551	0.7
180.04272	1.2
181.05066	9.2
183.06706	1.0
189.05486	0.7
189.42429	0.6
191.05574	0.7
193.04903	0.7
203.03705	0.7
227.09227	1.5
241.04884	0.8
255.06610	0.9
307.71640	0.7
311.09259	1.0
344.12656	2.2
347.49112	0.6
359.14902	9.8
360.15079	0.8
440.41461	0.7
489.16101	27.3
490.16470	2.1
521.14618	3.8
539.06836	0.7
545.00018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16846	2.5
58.02967	6.5
59.01378	17.3
63.63364	3.1
71.01376	19.3
71.93102	2.8
74.02467	16.9
83.01367	6.3
85.02935	9.9
87.05610	7.1
88.98797	15.2
89.02425	15.9
95.01387	4.5
96.04536	4.7
97.04044	13.0
99.05630	8.4
100.00386	7.8
101.02443	11.8
105.99669	16.3
108.04543	8.2
112.04031	9.9
112.07695	6.1
113.02413	27.5
113.03584	3.4
119.03516	6.4
119.04970	4.0
120.69729	3.1
124.04037	5.7
125.03556	5.0
125.04855	3.2
126.05608	3.8
127.05112	12.6
137.07225	6.6
138.05550	3.4
140.07129	12.2
143.04562	3.4
152.03580	4.1
155.08255	24.8
161.04529	7.0
165.06673	14.9
169.06181	4.2
177.03531	3.1
183.07690	25.5
227.06685	73.5
259.03888	46.2
261.05460	100.0
299.11371	6.6
356.54822	3.0
461.16641	53.1
462.17200	4.4
508.72659	3.2
521.10126	18.2
543.35248	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86938	1.3
59.01371	43.5
69.82791	2.1
69.83205	4.4
71.01376	24.0
72.99258	1.5
73.02953	2.1
85.02932	4.9
89.01911	2.2
89.02435	33.9
95.01351	1.6
101.02438	18.4
111.95196	1.3
113.02412	11.1
119.03519	13.0
119.05009	19.5
131.03528	1.7
137.06134	2.2
142.71828	1.3
143.03514	2.1
161.04507	3.1
179.05600	7.7
222.41628	1.4
299.11298	100.0
300.11652	5.4
302.26727	1.7
461.16092	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	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03428	1.1
57.20828	0.6
58.00579	1.2
59.01370	35.7
61.98812	2.2
69.03441	0.8
69.43546	3.0
69.43951	1.7
71.00986	1.3
71.01371	22.8
72.99298	1.3
73.02934	2.1
78.95894	1.1
82.92309	0.6
83.01360	1.8
85.02953	4.8
86.19616	0.7
87.00838	1.2
87.47379	0.7
88.26870	0.6
89.02429	19.9
89.53550	0.6
95.01362	1.7
98.20699	0.7
99.00886	0.7
101.02427	15.7
107.05006	1.3
108.02145	1.4
109.02942	1.6
111.04464	0.7
113.02430	9.4
119.03484	7.3
119.05022	2.1
121.03031	0.7
123.04517	2.5
123.51569	0.6
125.02483	1.3
125.09650	0.7
125.93407	0.6
131.03479	1.8
134.03714	0.6
135.04504	45.8
135.11726	0.8
136.04858	1.0
141.09177	1.4
149.04495	2.1
152.01138	1.8
152.03436	3.2
153.04367	0.6
153.05544	2.2
153.09203	6.6
159.11746	1.2
161.02420	1.3
161.04512	1.4
161.09671	2.3
163.03926	2.0
167.10760	4.3
171.10236	1.4
177.05547	0.7
179.03488	0.9
179.10721	1.9
193.12311	1.0
197.08131	3.5
203.10750	1.7
215.09192	12.3
216.09483	0.8
221.11774	1.3
233.06558	0.7
281.07846	0.7
291.06442	1.6
293.08768	2.8
297.09763	11.2
315.10791	100.0
316.10995	5.3
377.15784	0.7
477.21384	11.9
478.21255	1.2
492.12360	0.7
503.36392	0.8
519.69330	0.6
521.20618	10.1
522.19006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2022
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
59.01376	4.2
61.98806	1.2
67.01882	0.9
68.99812	1.6
69.35252	2.1
69.35667	3.8
71.01363	4.1
75.00865	1.0
79.39600	0.7
81.41689	0.6
85.02937	1.6
85.78770	0.7
89.02439	2.0
93.01977	0.7
93.03417	0.7
95.01352	1.0
95.04979	1.0
96.95996	0.9
98.19917	1.6
99.00871	0.9
99.04482	1.8
101.02412	5.1
108.02108	1.1
109.02937	12.3
113.02438	1.9
118.32350	0.7
119.03505	1.0
121.02914	3.8
123.04524	1.8
127.03997	1.1
135.03021	1.5
135.04510	1.5
137.02402	1.2
149.02432	1.0
149.76242	0.8
157.50383	0.7
159.04485	4.2
161.04556	1.6
161.05951	0.9
173.04659	1.2
173.06000	4.4
179.03305	0.9
179.05611	1.4
189.05537	3.9
191.07133	2.1
193.05055	0.8
197.08240	1.0
203.07169	1.4
225.07649	1.7
226.08018	0.8
227.09100	1.0
240.04263	1.3
241.05026	8.0
255.06532	5.7
264.08673	0.7
265.08588	0.9
267.06601	1.7
269.08115	1.9
269.65030	0.8
274.20007	0.7
281.08054	1.0
295.09680	0.8
297.12369	0.9
298.08582	1.2
299.09158	6.3
313.10785	10.3
327.12396	1.0
329.10266	3.3
343.11908	2.6
344.12592	32.1
345.12799	0.9
347.16846	0.8
355.12982	1.1
359.14948	100.0
360.15219	5.4
371.09824	1.3
431.14795	4.0
458.46420	0.7
521.19421	5.5
524.47845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2021
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.30633	0.6
57.03452	1.0
59.01374	32.6
61.98810	2.6
67.01876	1.0
69.03441	2.7
70.98186	1.2
71.01376	10.0
73.02931	2.4
78.95892	0.9
81.03443	10.0
83.01367	1.2
83.05014	13.2
85.02945	3.9
85.52086	0.7
89.02438	8.5
92.34697	0.6
93.03458	3.1
94.21775	0.7
95.01355	1.1
95.04398	1.4
95.05018	29.3
99.04527	0.6
100.77104	0.8
101.02429	5.0
107.05013	1.4
109.06578	13.5
113.02444	3.3
119.03462	2.7
119.05013	8.1
121.02932	1.0
121.06555	1.3
123.04530	4.2
127.04000	0.7
131.04997	1.0
133.06549	1.5
135.04515	1.2
135.07167	1.1
135.08134	11.6
137.06061	1.4
141.05606	4.3
149.06044	1.0
155.85768	0.6
157.06497	0.8
159.08112	4.7
161.04678	1.1
161.06041	2.8
163.06126	1.5
175.07608	4.6
177.09189	60.0
178.09468	2.0
179.03441	1.1
179.05656	1.2
179.07097	4.5
181.07135	1.1
195.10265	3.6
221.08144	16.8
221.10286	1.0
239.09294	1.5
239.57285	0.6
281.10309	3.1
299.11237	2.2
451.38376	0.8
521.20203	100.0
522.20612	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.1
59.87588	0.5
67.01886	1.2
69.19743	0.4
69.45222	3.4
70.96157	0.4
71.01367	4.1
73.02927	1.4
83.01361	0.5
85.02934	1.8
93.03453	4.7
101.02438	1.8
107.99007	0.5
109.02905	0.6
111.04488	1.4
111.54851	0.5
113.02435	1.3
113.73404	0.5
121.02924	3.6
122.03715	1.5
123.00848	0.4
123.04495	0.9
134.03673	1.1
135.04504	0.6
136.01721	0.5
136.05249	1.0
137.02426	1.5
137.06079	0.9
143.05013	0.6
146.03674	0.5
147.04497	2.2
149.02422	1.3
150.03191	5.2
155.03433	0.7
158.03662	2.4
159.04486	8.9
160.01682	0.8
160.05270	30.0
161.04565	1.1
161.06030	7.4
163.04015	4.6
164.04788	5.4
170.52397	0.4
172.70457	0.5
173.04517	17.7
173.06029	3.9
174.04872	0.6
174.06779	0.5
175.07610	30.3
175.21161	0.4
176.04802	1.0
176.07903	1.1
177.05542	7.2
178.06331	10.6
179.06725	0.5
191.07140	1.5
192.07860	3.4
193.05040	1.6
193.08656	3.0
207.06544	0.5
221.77780	0.5
235.06047	1.6
265.07138	0.6
284.10495	0.6
295.08081	1.0
314.11343	0.8
329.13879	100.0
330.14218	6.2
347.17041	4.0
359.14893	3.9
365.19928	0.5
437.22888	0.4
451.07104	0.4
521.22571	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	521.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.0
64.83259	1.1
65.64907	1.1
65.76258	1.4
70.20176	1.2
70.45706	4.8
71.01370	2.3
71.81033	1.2
90.41363	1.3
93.03391	1.8
121.02948	3.8
147.04491	2.7
148.93137	1.3
149.02440	1.4
150.03212	2.7
151.02829	1.3
155.43427	1.2
158.03659	2.0
159.04477	7.2
160.05278	23.2
161.04764	1.8
161.05984	6.9
162.21899	1.5
163.03973	4.3
164.04779	4.8
173.05980	2.6
175.07628	23.7
177.05527	5.4
178.06299	9.4
192.07939	1.3
193.08627	3.1
195.06718	1.5
232.58076	1.5
329.13892	100.0
330.14215	5.9
359.14774	4.4
521.22491	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	521.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03457	0.9
58.00591	2.9
59.01371	100.0
60.01683	0.7
67.13940	0.6
69.03448	1.6
69.68375	1.4
69.68781	3.4
71.01374	62.4
72.99300	4.8
73.02947	1.4
83.01396	2.1
85.02941	10.9
87.00854	4.1
89.02433	85.1
95.01377	3.9
97.02954	0.8
101.02428	37.4
107.05020	1.5
108.02177	2.0
109.02965	2.6
113.02439	26.2
117.03490	1.4
119.03487	36.6
119.05012	2.8
121.02953	3.1
122.03748	2.0
123.04545	1.9
125.02415	1.2
131.03493	4.3
133.02959	1.2
133.06564	0.7
135.04529	1.8
143.03459	7.8
145.02933	9.8
145.03970	1.2
149.04491	3.3
151.04039	0.9
151.07635	1.2
158.03741	0.7
159.04524	3.2
160.05278	6.0
161.02469	4.2
161.04573	6.6
161.06081	3.3
162.02821	2.3
163.02776	0.8
163.04021	3.0
172.05321	3.8
173.06024	3.7
173.74957	0.7
175.07683	2.9
177.05585	1.3
178.04884	0.7
178.06416	0.8
179.03424	1.0
179.03734	1.0
179.05579	19.7
187.07655	1.2
188.04776	0.7
188.07133	0.8
189.05533	6.7
190.06340	7.5
195.06609	3.2
205.08623	6.6
213.07642	1.2
220.09851	0.8
264.08755	1.0
265.07333	0.7
281.08246	2.1
296.10526	5.1
311.09851	0.7
311.12738	4.2
329.13983	1.9
341.13879	29.6
342.14450	2.0
521.16357	6.4
521.20972	2.9
522.09344	0.7
522.16211	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06964	1.2
57.03451	1.1
59.01371	100.0
61.98810	4.9
62.32056	1.1
64.15974	1.1
70.80416	2.8
71.01379	27.2
72.99282	1.8
73.02937	35.3
74.63256	1.1
78.95887	3.4
83.01383	11.7
85.02925	4.2
87.00775	1.5
89.02419	10.0
94.49934	1.2
96.95999	1.6
98.00553	1.2
101.02429	35.4
107.92059	1.1
113.02415	12.9
115.45382	1.1
119.03467	5.4
121.47923	1.1
131.03465	2.2
133.89885	1.1
143.03430	3.6
149.04533	6.2
161.02391	2.8
161.04485	9.3
179.03326	1.4
179.05574	3.3
218.08304	1.3
221.06644	3.0
293.20084	1.6
294.85553	1.1
304.07770	1.1
317.21289	2.1
326.60501	1.4
383.44043	1.3
461.30884	1.2
521.24316	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	521.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05285	0.7
55.96879	0.7
56.14771	0.7
58.00595	0.8
59.01373	100.0
61.98831	3.9
62.16732	0.7
69.32632	1.5
69.33050	4.2
71.01379	14.1
73.02937	4.1
75.00854	0.8
78.46828	0.6
78.95927	0.7
80.83073	0.5
80.96519	2.0
81.49353	0.6
83.01403	0.7
85.02946	2.7
85.29893	0.6
85.40009	0.6
87.00886	0.7
89.02431	8.5
96.96028	0.7
99.00880	1.4
101.02438	7.2
113.02422	5.4
117.14816	0.7
119.03526	3.4
130.24002	0.8
135.04558	1.2
143.03456	0.9
161.02480	1.0
161.04602	2.9
163.11241	0.7
167.04752	0.6
179.03535	1.4
179.05583	1.7
203.05653	0.7
226.39424	0.7
275.20120	0.7
293.21289	0.7
373.92999	0.7
399.23712	3.6
441.24814	1.6
477.41739	0.8
521.23834	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	521.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15752	0.5
52.79288	0.5
55.01870	1.2
57.03453	1.2
58.00595	0.7
59.01372	22.2
59.01675	1.1
60.99290	2.8
67.01876	7.4
69.03448	2.2
69.51982	3.7
71.01372	15.5
72.99303	2.7
73.02940	3.4
75.00868	0.5
81.03456	1.1
83.01364	2.6
83.05022	0.9
85.02938	5.7
87.00862	10.8
88.05917	0.5
89.02434	5.3
93.03445	48.6
94.03746	0.8
95.01395	0.9
98.20565	1.1
99.00893	2.3
99.04495	0.9
101.02438	9.2
109.02930	4.9
111.00881	0.6
111.04507	7.2
113.02438	4.4
119.03500	1.9
121.02972	1.4
123.04510	1.1
125.02413	0.6
127.04066	0.5
129.01965	1.6
133.02951	0.9
134.03787	0.6
135.04495	4.1
137.02420	1.7
145.02899	0.6
147.04486	0.7
149.04538	0.5
150.03154	0.6
153.09138	0.6
155.03468	2.4
158.03773	0.6
159.04492	2.9
160.01537	0.7
160.05286	3.9
161.02426	4.1
161.04544	1.0
161.06026	1.1
164.04784	0.8
166.05101	0.7
172.05284	0.6
173.04538	19.0
173.06023	2.1
175.07635	4.3
177.05540	1.3
178.06377	1.9
179.03464	1.9
187.07584	0.8
189.05536	1.4
191.05582	2.1
191.07095	0.8
193.08733	0.6
195.06583	1.1
197.04547	2.4
197.08220	0.6
240.04175	0.7
241.05128	2.3
255.06676	1.6
268.07370	0.8
281.08224	1.2
295.09714	1.1
299.09283	1.5
311.09412	2.7
311.12585	0.7
313.10806	3.8
323.07553	0.9
326.11618	1.6
329.10284	0.8
329.13846	16.7
330.14337	1.1
341.14001	1.8
344.12601	11.3
345.12860	1.0
347.17145	3.6
359.10245	2.2
359.14902	27.0
360.15387	1.7
460.05130	0.5
501.24753	0.5
521.21637	100.0
522.21979	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	3.7
59.01371	96.8
61.98815	2.7
65.14816	1.3
69.03447	4.6
71.01371	82.8
72.99294	3.1
73.02935	13.4
81.03448	3.8
82.95406	3.1
83.01364	5.4
83.31742	1.3
85.02930	13.5
87.00854	2.7
89.02431	100.0
95.01360	2.3
97.02956	8.8
99.00875	1.4
99.04474	1.7
101.02435	29.4
113.02438	18.9
119.03484	3.9
119.05000	2.0
123.04510	16.0
124.99978	1.4
125.02431	31.1
131.02518	1.9
131.03485	29.4
135.04518	2.9
139.04048	1.4
143.03471	2.7
144.49136	1.3
145.02921	5.1
149.04529	49.7
150.04839	1.6
153.05553	24.7
163.03981	2.7
167.10747	98.5
168.11058	4.4
171.32088	1.5
187.03975	6.8
191.05586	15.0
233.06633	7.7
293.08746	86.4
294.09305	3.3
315.10831	9.1
369.69449	1.5
373.67056	1.4
461.20389	3.4
477.21326	1.6
521.19269	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	57.7
61.98826	43.8
68.99565	82.4
69.03429	6.7
69.46957	56.8
78.95893	14.2
96.95986	7.2
112.98550	100.0
135.04640	7.8
152.99585	10.9
173.81015	6.8
181.90796	7.7
242.59647	8.0
249.18619	12.0
287.61157	7.8
293.21231	11.8
338.13425	6.9
344.11993	7.3
349.31384	8.2
485.32663	12.8
521.24536	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	521.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.6
60.99275	1.6
61.98825	8.2
71.41739	2.1
78.95894	9.8
83.10873	1.4
126.92905	1.2
127.55901	1.3
152.99568	11.1
153.99910	3.8
155.00018	6.6
180.15259	1.7
252.44022	1.4
423.32648	9.0
433.22720	2.1
434.22998	1.9
485.32657	100.0
486.33139	11.9
521.34576	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	522.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.9
59.01094	1.4
59.01373	25.2
61.98829	6.2
62.66962	0.9
65.39966	0.7
71.01377	0.9
71.19376	1.4
72.74318	0.8
75.00854	0.9
83.16538	0.8
85.42995	0.7
91.05505	1.2
92.97112	0.7
95.66724	0.8
99.04527	0.9
101.02405	1.1
106.06620	10.2
107.04998	1.2
116.05099	1.8
118.05813	1.2
118.06618	15.0
119.05019	2.8
119.06853	1.1
120.04586	1.9
122.02432	0.8
122.06150	0.9
123.04487	2.1
132.04543	1.8
134.03697	1.0
134.06120	1.5
135.04521	2.2
136.03949	0.8
136.07622	1.7
137.06056	1.0
144.04518	1.5
145.05322	2.2
146.06081	3.5
147.04503	1.9
148.03979	1.8
149.04807	2.8
149.06003	1.7
150.05515	1.0
151.07608	2.3
153.05563	2.0
157.05331	1.1
158.06129	1.2
160.03979	1.2
161.04785	0.8
162.05579	2.1
164.03465	2.3
164.07141	100.0
165.07494	2.7
171.74536	0.9
176.07133	4.0
178.05057	3.8
179.07130	2.4
181.08705	1.9
194.08191	17.2
194.09825	1.3
195.06660	3.3
206.09581	1.1
208.06137	1.5
208.11284	2.9
214.08722	15.1
221.08253	2.0
222.09222	3.1
224.10837	1.3
228.10234	2.8
233.08490	1.2
236.10744	17.8
238.12282	4.6
242.20718	0.8
246.61717	0.8
248.10660	5.1
250.08733	0.9
252.10199	1.1
266.11813	15.1
268.13409	17.8
269.13696	1.5
280.13391	6.7
282.11307	12.0
298.14450	19.6
299.14700	0.9
310.10764	3.6
324.12469	5.5
342.13425	15.8
343.13910	1.5
386.12299	3.4
446.16064	1.1
460.17606	2.8
478.18494	3.7
522.17603	86.8
523.17865	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	522.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10441	1.6
59.01144	1.6
59.01377	23.8
61.98808	7.5
70.36440	3.2
70.36806	3.8
71.01366	2.6
73.02944	2.3
83.65642	1.8
84.24219	1.5
93.21251	1.7
93.95243	1.9
101.02444	2.0
106.06606	7.4
116.17582	1.7
118.06611	10.8
119.05016	2.8
132.04553	2.9
135.04507	2.4
144.04509	2.5
145.05222	2.1
149.04857	4.0
151.07602	4.9
153.05562	2.4
164.03479	2.7
164.07138	100.0
165.07497	1.7
176.07188	3.9
178.05064	2.8
194.08128	10.8
194.09669	2.2
208.06122	2.0
208.11273	4.7
214.08698	10.6
217.00374	2.2
221.08417	2.4
222.09067	3.3
224.10638	2.5
228.10178	4.4
236.10782	20.5
238.12465	2.4
248.10677	5.2
266.11783	11.2
268.13385	16.9
277.51599	1.7
280.13394	6.0
282.11346	6.3
298.14429	12.5
310.10825	3.7
324.12482	2.8
342.13388	9.8
444.30713	1.9
521.34576	4.1
522.17621	69.6
522.34467	2.2
523.18066	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	522.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10160	0.7
50.19302	0.8
57.03442	1.5
59.01358	4.9
61.98820	4.4
67.97104	0.8
68.99825	1.3
69.03449	1.9
69.59129	5.6
70.94793	0.8
71.01373	1.6
71.04997	1.4
79.02889	0.8
79.95734	1.0
80.96512	6.6
83.01366	6.2
88.58865	0.9
92.05058	4.0
96.95973	1.1
98.19814	1.5
101.02415	2.8
101.76657	1.0
106.04264	1.0
107.04998	3.4
111.00905	1.3
118.02984	1.0
120.04531	1.2
121.06599	2.6
132.04552	2.5
137.06052	13.1
137.09705	1.0
139.07625	1.4
144.04549	1.5
146.02435	4.1
148.03992	1.3
150.05568	12.7
160.04036	2.0
160.84210	4.2
162.01941	1.0
162.05617	1.9
162.83856	1.1
164.98576	0.9
172.04097	1.3
176.03508	24.9
181.05040	3.9
181.08678	25.7
182.09048	1.1
184.03969	1.0
185.10599	0.8
188.07118	0.9
189.04341	1.1
190.01431	3.5
200.07172	1.1
202.05087	8.5
203.05829	1.3
204.02950	2.0
212.07074	1.5
215.05849	1.2
216.06612	10.3
218.08183	100.0
219.08502	3.4
244.06104	6.5
256.06076	11.4
258.07764	1.4
260.09430	1.2
282.15140	1.5
291.08624	2.0
296.16553	9.3
310.10956	1.8
314.10233	2.0
314.17587	60.9
315.17896	4.8
324.12335	10.4
325.12930	1.2
340.15475	71.6
341.15866	6.0
358.16397	3.2
361.12790	1.2
522.23590	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	523.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09498	0.2
56.87557	0.2
58.00557	0.3
59.01373	10.5
65.00318	0.5
65.03949	0.9
67.01881	11.2
68.99808	34.8
69.03445	14.8
69.04285	0.2
70.00121	0.4
70.16514	1.1
71.01373	5.6
72.99316	0.5
73.02943	0.6
83.01366	0.6
85.02939	1.6
85.75582	0.2
87.00871	1.0
87.38424	0.2
89.02435	5.2
92.99828	0.5
93.03453	1.0
95.01366	3.0
95.05018	8.4
97.02924	0.3
98.20544	0.3
99.00873	1.0
99.04499	0.8
101.02431	79.5
102.02759	1.1
106.04269	0.3
109.02957	0.7
111.00866	32.3
113.02426	2.1
119.03506	1.5
119.05023	1.0
121.02930	3.3
121.06583	0.6
123.04494	0.7
125.02426	4.9
127.03996	31.9
128.04375	0.8
135.04530	0.8
137.06059	6.5
139.00362	14.5
139.03986	11.4
140.00635	0.3
143.03482	5.3
147.04504	0.7
149.02406	2.2
149.06104	0.3
153.01915	7.0
153.05502	1.3
153.09175	0.3
161.04578	0.5
161.05930	0.4
163.03963	0.9
165.05496	1.6
169.08746	0.3
171.02965	11.6
177.05516	0.3
179.05563	1.1
179.07132	0.7
181.05020	1.1
189.05424	0.6
191.03371	0.5
193.05005	0.3
195.06653	0.4
197.08125	1.4
223.06041	3.4
259.09702	33.5
260.10037	1.7
291.08698	100.0
292.09009	5.5
310.27029	0.3
312.32275	0.3
329.10364	0.7
361.12869	30.5
362.13177	2.8
403.12317	0.5
453.14148	0.4
523.17682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41259	0.7
57.41602	0.5
58.00578	2.3
59.01371	48.0
61.91470	0.7
61.98827	0.7
65.00323	0.7
65.03943	1.0
67.01881	12.4
68.99808	33.8
69.03446	10.2
70.00151	0.8
71.01369	28.6
72.99294	1.7
73.02941	1.1
75.00860	0.8
83.01379	2.0
85.02934	5.4
87.00873	2.0
89.02433	34.6
93.03442	2.7
95.01369	5.4
95.05016	12.8
98.20628	1.8
99.00881	0.7
99.04486	0.8
101.02431	85.1
102.02796	0.8
111.00863	30.7
111.04513	1.1
113.02425	11.9
119.00261	0.6
119.03492	13.8
119.04932	1.0
121.02939	11.9
121.06521	0.9
123.04508	2.5
125.02431	5.6
127.04000	28.3
127.04951	1.4
131.03450	1.4
135.04494	2.4
137.06061	4.2
139.00362	16.6
139.03990	16.1
143.03487	5.5
147.04428	1.1
149.02446	4.1
149.04492	1.6
153.01915	8.1
153.05594	0.9
161.04570	1.4
165.05521	1.3
171.02971	10.9
179.03363	0.6
179.05576	4.7
179.07022	1.1
180.89252	0.6
181.04932	1.6
184.55325	0.7
191.03459	1.0
197.08131	1.2
223.06084	5.8
259.09702	41.7
260.10068	1.9
291.08688	100.0
292.09113	5.3
329.10062	0.7
361.12827	25.9
362.13123	1.1
371.09711	2.4
403.12283	2.2
491.15390	0.7
523.17755	7.7
523.32922	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	523.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55232	0.2
59.01371	1.2
61.98829	0.2
66.99612	0.2
69.03440	0.3
71.01379	0.9
71.52784	0.2
75.00879	0.4
81.81700	0.2
85.02966	1.1
89.02430	0.5
93.03477	0.4
95.96991	0.2
96.98666	0.2
101.02435	0.8
105.39789	0.2
113.02445	0.3
117.03474	0.5
119.05015	4.8
121.02920	0.3
122.06089	0.4
123.04501	0.2
125.09715	0.4
132.05836	0.3
133.02916	0.3
133.06564	1.4
135.04521	1.3
135.08064	0.2
137.02463	0.3
137.06062	1.6
145.02942	4.7
146.97029	0.2
147.04489	0.4
152.07153	0.8
153.09190	76.4
154.09552	2.2
161.02437	1.0
161.06064	3.1
163.02687	0.4
163.03990	5.3
166.60793	0.2
169.08591	0.5
177.05531	2.4
179.03462	0.5
197.08159	100.0
198.08499	3.5
203.03394	0.4
205.05029	3.8
221.04422	0.4
223.06036	0.5
235.06090	1.9
265.07101	4.8
266.07339	0.2
283.10849	0.5
314.53412	0.2
325.09180	3.3
350.25842	0.2
361.14920	0.4
377.14362	0.9
460.65237	0.2
523.17981	9.7
523.34448	0.3
524.19873	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	523.2177
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01374	7.4
60.58716	0.4
61.88927	0.4
63.68867	0.4
69.76273	2.2
71.01376	7.0
73.02940	2.3
83.01381	0.5
85.02955	1.5
85.33079	0.4
87.00867	0.7
87.19258	0.4
88.98801	1.1
89.02431	10.2
93.03449	1.6
99.00867	3.2
101.02427	4.7
108.02135	0.5
109.02944	4.8
113.02432	1.7
117.67200	0.4
119.03495	1.0
121.02934	11.9
122.03735	10.5
123.04499	1.6
124.01664	1.0
125.02424	0.5
129.03462	0.6
131.03471	1.7
134.03723	1.1
135.04539	2.3
136.01700	0.5
136.05258	0.9
137.02432	2.0
143.03461	0.4
143.93794	0.4
147.04507	5.1
148.05171	0.6
149.04533	6.7
149.05875	0.9
150.03239	0.8
151.03931	0.5
153.09258	0.7
154.02658	0.8
160.05232	1.8
161.02354	0.4
161.04552	1.1
161.05972	1.8
164.04727	0.8
165.05547	20.8
166.05859	0.9
175.07652	1.3
176.07994	1.1
177.05460	0.6
178.06215	0.7
179.05679	0.4
179.07104	8.1
191.05594	1.4
191.07118	0.6
197.08159	1.2
209.08185	0.8
223.09763	1.1
251.07661	0.9
251.98070	0.4
298.12228	0.6
313.14493	1.2
315.12296	2.5
316.12930	1.0
329.13858	2.1
330.14313	3.0
331.14487	4.8
346.14111	9.1
347.14331	0.7
349.18832	0.5
354.78162	0.5
361.16501	100.0
362.16843	7.4
377.66843	0.4
463.21820	11.0
464.22037	0.7
523.21667	1.4
525.28485	0.4
526.72015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03425	1.1
58.00578	0.9
59.01372	21.3
61.98814	0.5
69.03465	0.4
69.28872	3.0
69.29275	0.4
71.01373	15.9
72.99302	1.8
73.02942	4.7
81.03463	0.3
82.94914	0.3
83.01381	2.9
85.02943	7.5
87.00860	1.7
88.98803	0.3
89.02431	6.5
93.03423	0.9
95.01382	1.5
98.19839	0.5
99.00844	1.5
101.02434	11.2
103.91788	0.3
107.05090	0.3
108.02156	1.2
109.02947	3.8
111.00863	0.9
111.04501	0.5
113.02434	4.4
119.03489	3.0
119.04951	0.7
121.02940	9.4
122.03725	10.2
123.04520	2.9
124.01623	0.8
129.03438	0.8
133.02869	0.3
134.03674	1.2
135.04520	2.0
136.05272	1.3
137.02419	1.6
141.01913	0.3
145.02960	0.8
146.03780	0.3
147.04503	6.0
148.05270	0.6
149.04518	0.3
149.06056	0.9
150.03212	0.4
151.04019	0.7
153.01851	0.3
154.02686	0.9
159.02951	0.4
159.04546	0.4
160.05321	0.4
161.02489	0.4
161.04636	0.5
161.06036	2.7
162.06816	0.6
163.04028	0.7
164.04778	1.0
165.05542	22.0
166.05830	0.5
173.06049	0.6
174.06740	0.4
175.07635	0.7
177.05383	0.3
178.06345	0.4
179.03528	0.4
179.05658	0.4
179.07089	7.2
190.06339	0.3
191.07108	1.2
195.06548	0.9
196.06935	0.8
209.08159	1.0
223.09659	1.2
298.12100	1.6
301.10773	0.5
313.10999	0.4
313.14377	2.6
315.12408	1.8
316.12964	0.7
325.11267	0.4
328.13120	2.3
329.13892	1.2
331.15262	0.7
343.15417	4.6
346.14166	8.1
347.14838	2.3
361.16513	74.8
362.16821	4.3
401.14230	0.4
508.19583	0.4
523.21808	100.0
524.22174	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	523.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38280	6.0
59.01375	63.3
59.74812	5.5
61.98821	29.0
66.39664	6.6
67.01887	9.5
68.99822	13.5
69.03445	10.6
70.00842	24.9
71.01368	25.1
73.02937	5.9
78.95892	11.3
80.96511	20.5
85.02950	11.0
89.02422	13.4
95.01398	5.9
95.05022	12.0
96.96005	30.9
101.02438	46.9
102.33110	5.7
103.22977	6.1
107.04934	6.6
111.00857	22.5
113.02456	14.6
119.05018	9.5
125.02412	6.2
127.03976	15.3
135.04526	17.8
139.00346	10.6
149.06059	6.0
150.06841	14.2
153.02023	6.6
161.02420	19.1
162.06833	49.9
163.07675	11.4
171.02948	8.3
177.09229	24.2
179.03499	13.5
197.37497	6.0
259.09720	19.6
264.61728	5.6
291.08829	53.8
293.21259	18.4
294.21509	13.2
295.21790	29.8
300.12360	27.7
345.22644	28.5
346.32822	6.7
361.12762	14.7
386.13745	6.4
431.23935	8.4
463.32404	9.2
487.34485	11.6
505.31580	20.8
523.25330	100.0
523.32745	81.1
525.75946	6.5
542.41162	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	523.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03429	2.8
58.00597	1.1
59.01091	2.1
59.01373	29.3
61.98544	1.0
61.98816	6.0
63.96874	1.0
67.60034	1.0
69.03461	1.0
69.71714	4.8
69.72133	2.3
71.01376	55.4
72.99293	1.2
73.02943	18.6
76.57937	0.9
76.59455	1.1
83.01374	7.1
85.02944	23.8
87.00856	1.9
88.98785	3.3
88.99712	1.0
89.02444	8.4
95.01372	4.6
97.02915	1.1
99.00870	9.0
101.02437	35.1
111.00856	1.7
113.02442	23.6
119.03474	1.5
125.02416	4.2
131.03447	1.8
134.00592	1.2
143.03496	2.5
149.04555	1.5
157.98993	1.2
159.02969	4.6
161.02473	1.6
161.04533	27.6
205.75797	1.0
291.08752	3.1
331.17581	79.2
332.17966	6.0
346.69373	1.2
463.21786	100.0
464.22211	7.3
491.25916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
57.03442	1.8
58.00583	1.0
59.01373	14.5
69.03448	1.0
69.17517	0.8
71.01374	29.8
73.02938	10.8
73.45432	0.8
73.85683	1.0
75.00830	1.4
83.01372	4.5
85.02940	12.7
87.00877	1.1
89.02432	6.3
95.01381	2.4
97.02957	1.2
99.00877	4.5
99.01439	0.8
101.02431	22.0
113.02429	11.0
114.62881	0.7
115.03989	1.8
116.46155	0.9
119.03502	1.0
121.93800	0.8
125.02427	1.8
131.03479	1.7
135.89214	0.8
143.03520	1.4
155.10730	2.1
159.03011	2.7
161.04547	12.9
173.04503	1.2
191.05530	3.1
199.09738	0.9
233.06627	1.4
276.88843	1.0
296.93665	0.9
302.90485	0.9
319.29858	1.0
331.13953	1.5
331.17590	19.0
463.21771	100.0
464.22253	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	523.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
57.03436	2.5
59.01374	31.1
61.98820	3.8
68.99804	1.8
69.03458	1.3
69.58157	5.5
69.58570	1.5
69.78636	0.9
70.58988	1.0
71.01374	51.5
72.99306	1.1
73.02940	16.8
83.01381	6.5
85.02941	24.8
87.00860	1.7
88.98800	3.7
89.02436	8.6
90.86953	0.8
95.01383	5.4
97.02953	1.7
99.00878	7.7
101.02428	36.1
113.02431	27.3
114.02784	1.0
119.03543	1.3
125.02436	3.0
127.04072	1.0
129.01924	1.3
131.03415	1.3
139.00473	1.0
143.03519	2.6
145.75801	0.8
149.04471	1.0
159.02995	4.8
161.04536	28.6
162.04872	1.1
162.50308	0.8
223.47983	0.9
259.09686	1.8
289.43076	0.9
291.08701	2.2
331.17572	77.4
332.17831	4.8
361.13361	1.2
453.13635	2.1
463.21786	100.0
464.22260	5.9
545.33374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
57.03445	2.6
58.00593	4.1
59.01373	100.0
66.22375	1.6
69.79253	8.1
71.01373	78.7
72.99283	2.4
73.02940	10.8
77.43919	1.7
83.01367	3.6
85.02941	17.7
87.00836	4.5
89.02434	96.8
95.01368	5.3
98.20592	3.4
99.00867	3.3
101.02435	55.4
113.02440	29.5
119.03485	24.0
121.02914	2.0
122.03681	2.1
131.03481	24.0
143.03510	4.0
147.04523	2.0
149.03329	3.4
149.04527	66.4
161.04483	8.7
165.05574	2.9
175.07587	2.8
179.05598	16.5
191.05547	9.8
251.07567	1.8
256.03711	1.6
311.09650	3.4
329.13828	5.9
330.14346	10.0
331.14142	11.6
331.17825	24.8
361.16534	9.5
407.23682	1.9
444.22858	1.6
463.21753	83.0
464.22122	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	523.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	3.5
59.01374	54.8
62.21102	2.3
70.76563	6.1
71.01373	50.2
73.02949	15.3
83.01379	2.7
85.02925	8.3
89.02426	58.8
91.52557	2.1
98.01830	2.3
99.00873	21.2
101.02435	36.5
113.02420	9.1
119.03479	8.2
123.04514	3.4
125.02435	3.3
131.03487	10.5
134.62605	1.9
135.04520	2.6
143.03497	2.6
149.04539	38.9
161.02388	3.6
161.04559	3.7
173.04677	2.9
179.05678	2.1
191.05545	7.2
221.06645	2.8
229.13814	2.0
251.07611	4.3
315.10403	2.3
331.17642	5.4
419.98080	2.3
463.21811	100.0
464.22134	9.1
523.16296	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	523.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17319	20.3
59.01368	26.4
61.98816	65.2
65.24756	14.2
66.59233	14.8
68.99783	16.5
71.62036	22.9
73.90112	14.0
78.95895	64.6
80.01825	13.0
80.91658	54.3
88.64759	14.1
96.96931	16.6
101.02435	53.5
111.00874	17.7
117.05607	14.4
117.66230	14.4
152.99594	43.0
154.99937	18.4
196.43706	14.7
291.08759	44.8
300.12390	72.1
361.13229	19.6
380.66516	16.9
436.24161	19.1
523.32019	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	523.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08051	1.4
60.92522	1.5
61.98827	1.5
63.01295	1.5
71.18940	1.9
71.19269	2.6
75.45982	1.5
104.02530	1.5
158.69713	1.5
246.36345	1.7
321.78674	1.8
388.16867	1.8
487.34268	100.0
488.34372	8.8
523.31042	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	523.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39871	1.7
61.98826	2.0
68.65929	2.1
70.47475	4.6
70.47845	3.8
71.66265	2.1
81.55930	1.8
87.33176	1.7
98.20394	4.4
148.76587	2.0
152.60318	1.9
155.08186	1.9
164.62175	1.7
224.48969	2.1
487.34232	8.7
523.31873	100.0
524.31976	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	523.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97560	6.4
52.97697	6.7
58.10556	6.5
59.01369	14.0
60.93826	6.3
69.30449	31.1
69.30872	30.1
95.32784	7.1
96.41209	7.1
98.19771	11.2
107.38042	6.0
127.14931	6.0
144.18044	6.2
153.75279	6.2
188.45589	6.6
485.32858	8.6
487.34479	68.3
488.34274	8.5
523.31824	100.0
524.32184	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	523.3271
Annotation	1beta-Hydroxymakisterone C
Peak:m/z	Relative Intensity
57.03439	2.1
59.01369	4.3
61.98820	1.7
66.89845	0.3
67.01891	0.3
68.99812	0.8
69.03434	0.5
71.01373	0.9
71.06891	0.3
71.61198	0.5
72.99302	0.6
78.95878	0.5
83.05023	0.9
85.02925	0.5
87.00906	0.3
88.93616	0.3
89.02456	0.3
93.03444	0.4
95.05020	0.6
97.06561	0.8
99.04513	2.0
100.12820	0.3
101.02424	2.8
107.05059	0.4
109.06588	0.7
111.00900	0.9
111.04536	0.8
111.08141	1.0
119.05009	0.8
121.06628	0.3
123.08142	2.6
125.02425	0.6
127.04037	0.7
127.11252	0.7
130.99876	0.7
135.04512	0.4
135.08167	1.7
136.05205	0.7
137.06076	1.4
137.09700	2.1
138.06859	0.4
139.03934	0.4
142.62520	0.3
143.10747	1.3
149.06065	2.5
149.09706	2.2
150.05632	0.7
150.06841	11.8
151.07553	0.5
153.09201	1.6
155.10750	1.9
162.06850	50.2
163.07639	11.1
164.08453	1.6
164.50978	0.3
165.09213	0.4
167.10759	1.4
171.10258	0.4
173.06062	0.4
174.06929	0.3
176.08414	6.6
177.09189	19.0
178.09583	0.5
178.38826	0.3
179.07155	0.5
179.10806	0.4
184.11029	0.7
191.07071	0.6
201.09242	0.4
203.10660	0.4
207.13853	0.6
214.95547	0.3
216.11427	0.4
231.12363	0.6
245.15443	0.6
258.16177	2.7
259.09711	0.9
261.18616	0.7
263.20093	0.7
273.18597	3.5
275.19995	0.5
279.19672	0.4
281.21219	0.6
287.16397	0.4
291.08780	2.2
293.21194	0.5
299.22314	0.7
300.12411	1.5
301.17984	0.6
305.17517	0.7
316.19128	0.4
331.19080	0.5
341.23141	0.3
342.17285	0.5
345.22763	34.5
346.23077	1.6
361.12857	1.0
379.66501	0.4
383.87692	0.3
426.83304	0.3
444.28854	1.2
446.30072	0.6
459.30902	1.9
479.33627	0.4
487.34216	1.1
505.31635	21.8
506.31876	1.6
523.32654	100.0
524.33038	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	84.1
61.98822	10.4
63.77787	2.9
66.48724	2.8
71.01371	30.2
71.61913	3.9
73.02934	7.3
83.01350	3.9
85.02945	12.1
89.02435	7.2
99.00883	3.5
101.02436	22.9
110.32528	2.9
113.02439	12.1
116.98139	3.2
119.03512	6.3
161.04523	10.7
161.79776	3.2
172.98611	3.4
203.07031	3.3
229.38567	3.1
301.27350	4.3
384.70111	3.6
463.32669	100.0
464.33139	7.2
487.34518	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	524.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05821	0.5
59.01374	4.7
61.98823	71.8
71.01376	4.1
71.61299	0.7
73.02945	1.4
74.27759	0.6
77.94228	0.6
85.02942	2.0
89.02441	2.5
95.01405	0.6
101.02430	2.9
113.02441	2.4
119.03484	1.0
119.05012	1.2
123.04473	1.0
125.78719	0.6
132.02187	1.2
133.02942	24.8
135.04523	8.0
137.02419	1.1
137.06003	0.6
152.07098	0.7
161.02426	100.0
162.02788	3.2
162.04887	0.7
166.25787	0.6
168.47716	0.6
179.03484	5.3
189.73880	0.6
221.04427	1.0
250.60403	0.8
331.17575	0.8
332.17813	1.3
461.14471	95.2
462.14825	7.1
464.21991	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	524.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98824	100.0
69.88008	1.2
71.01379	0.8
85.02951	0.6
90.98789	0.2
91.87252	0.2
93.06648	0.2
95.01360	0.4
98.20584	0.3
98.39027	0.2
102.55595	0.3
112.10633	0.2
113.02427	1.7
135.04529	0.9
159.10423	0.3
424.41571	0.3
461.16562	8.9
462.17044	0.5
468.86179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24376	0.3
56.25797	0.2
57.49274	0.2
59.01367	0.7
61.98820	100.0
71.01382	0.6
73.02930	0.3
78.95870	0.3
83.67045	0.3
86.23454	0.2
89.02434	0.3
101.02447	0.5
109.56556	0.3
119.05015	0.7
135.04524	0.3
145.02965	0.7
163.04033	1.0
164.04283	0.4
178.38158	0.3
179.03531	0.5
257.63492	0.3
299.11316	0.3
300.11850	0.5
301.11957	0.3
302.12134	0.5
318.90692	0.3
325.09006	0.3
326.09726	0.7
333.02499	0.3
352.47040	0.3
502.32266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	2.3
59.01375	37.3
60.99297	4.2
61.98820	24.5
66.03490	1.4
69.03443	18.4
81.03445	2.4
83.05025	2.1
83.51575	1.3
85.02931	7.7
88.98795	39.4
89.02453	1.7
93.03454	4.7
94.02978	3.4
94.06621	1.3
95.05000	1.6
96.04546	48.0
97.02911	1.8
99.04496	6.5
107.03745	1.6
108.04547	1.5
109.01677	5.6
109.02897	1.8
111.00867	2.6
111.04527	9.8
113.02443	2.3
113.06032	1.6
117.03472	1.9
120.04522	13.1
121.02883	2.3
121.06651	2.3
122.02483	1.4
122.03696	1.8
122.06105	20.5
123.04510	25.6
124.07708	3.8
127.03988	3.3
128.07143	2.7
134.06114	1.6
135.04498	6.0
136.00392	6.1
137.02419	4.6
137.06064	3.6
138.05588	5.4
145.02908	8.5
148.04030	9.2
148.07668	13.9
149.02386	1.7
149.06091	1.6
150.05620	1.7
151.04086	1.9
152.03517	15.9
152.07117	1.8
153.05548	15.0
154.08720	11.2
155.03447	10.1
160.07626	1.9
161.02415	5.9
163.03993	2.4
164.07117	1.5
166.05057	23.0
166.08740	2.1
168.02962	3.6
169.95601	1.5
172.06143	41.7
172.07573	3.2
177.05386	2.2
179.03493	5.3
180.06641	59.2
180.10207	15.3
190.08740	5.3
192.06584	6.5
192.10211	1.9
193.05077	3.4
195.06549	5.6
197.04514	2.0
198.07686	3.6
204.10196	3.5
206.08133	2.5
208.06161	1.4
208.09789	2.0
210.07671	3.4
216.06601	2.0
220.06056	1.6
221.04390	1.3
221.84422	1.3
222.11357	2.8
224.05606	22.7
224.09096	6.9
234.07706	2.0
242.10260	4.7
248.09195	6.8
249.07666	4.2
252.08664	2.0
266.10376	2.2
268.08234	9.5
273.07602	3.2
284.11365	4.9
284.14450	1.2
291.08798	2.4
292.08154	2.0
302.10196	2.2
310.09241	6.7
315.08801	2.8
326.12531	1.9
338.01163	1.6
352.10345	22.7
353.10675	1.9
370.11234	7.9
378.11969	8.2
404.13409	100.0
405.13925	6.9
418.45587	1.7
422.14487	11.9
446.14618	4.6
461.14664	8.4
462.15524	1.6
464.15585	12.5
488.15613	1.8
506.16470	13.7
524.17560	20.9
525.18896	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74540	0.6
59.01372	100.0
60.01699	0.9
61.98823	12.7
67.01871	0.8
69.03427	0.9
69.38285	5.1
71.01383	2.0
73.02928	0.9
85.02922	1.0
88.98799	0.9
89.02463	1.9
91.05512	0.9
92.01396	0.9
93.03454	1.8
95.05006	0.8
96.95989	0.9
101.02436	2.4
108.04496	0.8
111.00841	0.8
113.02470	1.0
116.04957	0.7
118.06641	2.5
119.03563	0.8
119.05014	6.5
120.04533	2.0
122.02442	1.9
123.03265	3.7
123.04507	3.8
124.04028	7.0
130.98927	0.6
133.02924	1.1
133.05432	0.8
134.03659	0.7
135.04530	2.5
137.06029	0.9
138.05594	33.6
139.05864	0.8
145.06590	0.7
146.06114	1.2
147.04507	1.8
148.04089	1.1
149.06078	1.4
152.07170	2.1
153.05547	3.8
161.02414	2.8
162.05493	0.8
164.07155	2.4
166.06587	1.0
166.08710	1.0
178.08723	3.8
179.03455	2.5
179.05650	0.7
179.07097	2.2
180.08249	4.1
181.08742	0.8
192.10333	0.7
194.08208	1.1
195.06598	66.9
196.07004	2.0
196.09691	1.5
198.81827	0.6
208.07635	6.1
210.09203	1.7
211.13319	1.5
214.08693	14.5
215.09055	0.9
223.06152	1.5
224.10742	1.4
236.09245	1.1
240.10295	17.7
241.10744	1.0
250.12321	2.1
256.13412	1.5
282.11172	1.8
282.14914	2.4
284.09198	9.8
291.08972	0.9
292.09045	1.0
300.12436	14.7
300.15808	1.2
301.12750	0.8
308.12799	0.9
326.13846	1.8
326.60199	0.9
344.14920	7.5
360.14444	0.7
362.13150	0.9
461.20059	1.8
524.19165	29.8
525.18634	1.3
525.24591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
61.98823	100.0
69.38648	1.3
71.01393	0.2
80.39363	0.1
88.98811	0.6
92.89223	0.1
193.60835	0.2
211.52974	0.1
409.77454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81493	0.4
57.14228	0.3
57.61806	0.4
59.01377	4.1
59.77650	0.4
61.98824	100.0
62.84825	0.3
67.01863	0.4
67.26945	0.3
69.03459	0.3
71.01378	0.9
71.61502	0.4
75.00880	1.3
85.02951	0.7
87.00893	0.6
89.02433	0.7
93.03474	1.7
95.91182	0.3
101.02466	1.5
108.02184	0.9
111.00884	0.5
112.01226	0.4
112.98583	0.5
119.05019	6.9
119.05794	0.6
123.04569	0.6
124.04047	0.4
127.04019	0.6
131.03716	0.7
135.04497	0.7
137.06094	0.4
138.05713	0.3
139.00516	0.4
139.11316	0.4
141.01985	0.5
149.06085	1.1
151.40225	0.4
152.01175	1.1
161.02472	0.7
174.05800	0.4
176.07190	0.5
178.08844	0.5
179.07115	0.6
180.06664	0.6
194.08252	1.1
224.07161	0.5
228.06508	0.4
243.12384	1.0
244.12805	0.7
249.08076	0.5
256.09790	0.8
282.11273	2.5
291.08954	0.5
292.09167	1.3
300.12369	14.2
301.12949	1.0
361.04544	0.3
362.13235	0.6
416.77991	0.4
424.93219	0.4
459.92776	0.4
493.02377	0.4
524.17822	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42182	1.2
58.19944	1.2
59.01371	10.7
61.98822	69.6
69.03442	3.3
71.01376	6.4
71.61547	1.6
72.17330	1.3
73.02942	2.0
75.00858	1.5
89.02429	3.4
94.06596	3.9
94.64687	1.2
96.96008	7.2
97.59178	1.1
101.02432	3.7
107.03757	6.4
108.02135	1.9
117.03523	1.3
119.04998	4.7
120.04505	2.0
122.06109	43.4
124.07659	2.5
132.04527	10.7
133.02968	12.0
134.06116	6.3
135.04514	13.0
137.02438	4.1
139.02747	1.7
144.04518	2.7
150.05502	2.0
152.07155	84.9
153.01944	2.4
153.07465	2.0
158.02426	4.2
160.03993	5.4
161.02425	46.0
162.02824	1.8
162.05632	2.0
163.04022	2.1
163.50377	1.6
172.04028	1.9
173.04680	1.6
174.05641	1.6
176.03497	4.6
179.03497	3.4
190.05072	20.3
191.05666	1.4
195.06654	1.6
215.11873	2.2
223.08717	4.2
224.09496	4.6
238.10999	1.8
239.11847	16.3
240.10422	2.5
251.08159	2.4
251.11885	2.9
253.06215	3.7
253.91617	1.4
255.07695	1.8
255.11426	1.6
265.09665	1.6
267.07733	3.4
267.11273	2.1
268.08444	1.5
280.08539	3.4
281.09146	1.6
283.10825	53.0
284.11249	3.9
293.09125	1.3
295.10782	13.2
296.11212	1.8
297.12259	2.0
312.11032	5.1
315.13647	1.6
323.10641	1.9
332.18106	1.4
341.11295	6.2
355.12900	3.9
376.34824	1.3
389.10901	1.5
390.78415	1.3
420.19568	2.3
430.17770	1.3
448.18680	43.6
449.19162	4.0
461.14481	42.0
462.14816	2.8
464.22327	8.7
465.22498	1.5
474.16934	2.3
480.21289	10.4
492.17703	100.0
493.18085	9.4
524.20337	72.8
525.21344	8.1
545.12793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.8
62.36068	0.3
89.02447	0.5
94.06622	3.4
98.19868	1.2
104.05018	0.4
106.06615	0.8
107.03755	4.0
110.86247	0.4
116.14215	0.4
116.46980	0.3
118.57145	0.3
120.04520	0.5
121.05264	0.5
122.06104	21.3
124.07642	1.9
132.04532	3.3
134.06090	4.6
135.04477	0.6
139.02850	0.5
144.04543	0.6
147.03294	0.3
150.05559	0.7
152.07146	36.5
153.07487	0.9
158.02382	0.7
160.04036	2.4
161.02420	0.5
162.05493	0.4
166.05055	0.7
174.05518	0.8
176.03481	1.6
184.07619	0.3
190.05037	3.6
192.06601	0.7
195.06580	1.6
211.12349	0.5
215.11813	1.1
223.08659	1.6
224.09349	2.2
227.08264	1.2
227.11867	0.5
233.08385	0.4
237.10310	0.4
239.04495	0.4
239.08101	0.8
239.11833	7.2
240.10225	1.1
241.09808	2.4
251.08179	0.6
251.11679	1.8
252.10315	0.7
253.06081	2.1
253.09845	0.9
254.10709	0.4
255.01251	0.4
255.07648	1.3
255.11330	1.7
265.06094	0.6
265.09756	0.8
266.06860	0.6
267.07584	2.5
267.11292	1.4
268.08380	1.6
271.07452	0.5
271.10712	0.7
277.09689	0.5
279.07724	0.9
279.11301	0.5
280.08496	2.5
281.09241	1.3
282.09836	0.5
283.10837	24.6
284.11282	1.0
287.10532	0.4
287.75586	0.4
295.10815	8.2
296.11407	0.7
297.12238	0.6
299.10620	0.5
307.10837	1.0
309.08691	1.2
309.11945	0.7
312.11093	1.4
313.11786	0.6
315.13559	1.9
323.10190	0.6
327.09753	0.4
327.13556	0.6
341.11368	2.1
355.12939	0.8
402.18182	0.8
420.19214	2.2
430.17889	0.5
446.17361	0.4
448.18716	5.9
449.18738	0.3
464.18246	1.3
470.93591	0.4
474.16675	0.9
480.21075	1.1
492.17688	11.1
493.18521	0.6
496.20865	1.2
506.19122	1.2
524.20288	100.0
525.20563	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	524.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07109	0.4
59.01374	3.4
61.98810	0.8
68.99809	0.7
69.03443	1.1
69.25986	3.8
69.26373	0.8
71.01375	1.1
73.01642	0.4
73.32233	0.5
80.05039	0.4
85.02944	0.5
85.90234	0.4
89.02437	0.9
94.06612	3.5
98.19827	0.9
99.00877	0.7
101.02432	1.5
106.04257	0.5
106.06599	1.2
107.03754	4.9
108.04501	0.6
113.02424	0.5
117.03430	1.7
119.05013	9.9
120.05328	0.5
121.02952	0.9
121.05316	0.7
122.06105	24.0
124.07668	2.4
132.04543	4.1
134.06104	4.9
135.04506	0.9
137.06070	5.7
138.06403	3.3
139.02766	0.9
143.17949	0.4
144.04517	0.5
145.02934	5.0
147.03246	0.5
151.07565	0.4
152.07153	45.7
153.07469	0.9
153.09206	0.4
158.02440	1.5
160.04045	2.8
161.02501	0.5
162.05472	0.5
163.03989	15.5
164.07030	0.5
166.05008	0.5
166.68182	0.4
167.05898	0.5
174.05524	0.5
176.03461	2.2
176.07109	0.7
184.07567	0.7
190.05054	8.0
191.05823	0.7
192.06613	0.8
194.02896	0.5
195.06619	1.4
200.64000	0.4
211.12355	0.9
212.10823	0.5
215.11848	2.7
223.06099	1.4
223.08708	2.3
224.06410	1.5
224.09387	1.9
226.07515	0.4
227.08206	0.8
236.09467	0.6
239.08221	0.9
239.11859	8.8
240.10251	0.9
241.09807	1.0
251.11928	1.5
252.10263	0.5
253.06190	2.4
253.09831	1.1
254.08458	0.5
255.07745	0.9
255.11378	1.7
256.08743	0.5
265.06317	0.5
265.09787	0.8
266.07233	0.6
267.07709	2.3
267.11340	1.5
268.08633	2.2
268.11139	0.4
271.10867	0.7
277.44196	0.4
280.08563	2.2
281.09222	1.0
282.09949	0.7
283.10855	23.7
284.11234	1.4
287.10345	0.6
295.07736	0.7
295.10840	8.3
296.11176	0.8
297.12439	0.7
309.08630	0.6
309.12207	0.7
312.11218	1.2
313.11694	0.7
315.13495	2.2
323.10257	0.6
327.09998	0.7
327.13422	1.5
339.09894	0.5
341.11334	3.2
355.12997	1.7
366.48309	0.4
404.19647	0.9
420.19150	1.4
430.17889	0.8
444.60254	0.6
446.17096	0.7
448.18658	7.9
449.18787	0.5
464.18149	1.2
480.21310	1.2
492.17737	11.7
493.18341	1.2
496.21078	1.8
506.19183	0.8
524.20306	100.0
525.20508	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	524.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01373	97.5
61.92085	0.9
61.98824	13.0
69.03458	1.1
70.75302	2.9
71.04989	1.1
78.95880	2.2
83.01381	5.4
85.02921	1.3
93.03448	3.0
101.02414	1.5
119.05022	7.5
119.96469	1.0
120.04510	1.7
122.02457	1.8
127.03907	0.9
135.04482	3.2
137.02440	2.0
137.06064	31.8
145.05292	7.5
148.03992	1.7
148.07590	1.4
149.06181	1.1
161.02448	2.4
162.05614	1.8
163.11221	3.5
170.06065	3.3
172.04028	3.4
174.01953	3.4
176.07094	1.8
179.03497	1.2
179.07155	5.3
181.08678	47.3
189.04279	22.8
194.08096	1.3
204.06596	19.8
205.06993	1.1
207.10283	7.3
214.87743	1.0
246.07559	1.2
282.11279	2.9
291.08792	1.5
291.85507	1.1
295.22827	1.3
296.23013	1.9
297.72061	1.3
300.12344	16.6
300.15982	13.8
344.14963	100.0
345.15356	5.7
362.20782	1.8
438.99231	1.2
487.34561	1.7
488.34482	4.7
500.22641	1.0
524.26440	2.1
525.30890	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29292	0.3
57.64610	0.3
61.98824	100.0
66.98952	0.4
69.42271	0.8
69.42673	2.1
98.20640	0.7
111.28780	0.3
122.95268	0.3
136.27744	0.4
234.75969	0.4
393.56342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76013	0.7
59.08540	0.8
61.98824	100.0
64.35852	0.6
67.67323	0.7
71.61642	0.7
71.62041	0.9
112.69797	0.9
183.66872	0.8
184.40057	0.8
274.34827	0.9
288.92041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
56.45477	0.9
57.03453	0.8
58.00566	1.8
59.01372	100.0
60.78391	0.9
61.48278	0.8
61.98811	3.2
67.01891	1.7
69.03449	49.6
71.00984	1.5
71.01375	28.7
71.61535	1.1
72.99282	2.6
73.02945	1.6
83.01368	1.8
85.02938	7.1
87.00876	1.0
88.04034	1.5
88.73215	0.7
89.02432	23.4
93.03450	1.4
93.07106	1.0
95.01371	3.1
95.05016	18.8
96.96014	1.2
100.60574	0.7
101.02430	15.4
106.04221	9.3
111.00842	3.6
111.08149	1.1
113.02443	13.0
115.00326	1.2
119.03484	7.4
119.04996	3.2
121.02946	15.3
121.06584	64.7
122.06898	1.6
123.04513	9.4
130.16570	0.7
131.03502	1.3
133.02957	1.3
135.04504	2.5
137.06113	3.7
139.00366	20.6
139.03983	2.2
139.07651	12.0
143.03514	1.0
147.04482	2.9
149.02443	10.4
149.04501	1.4
153.05560	7.1
153.09096	0.8
155.10794	1.2
159.10330	0.8
161.02385	2.9
161.04567	1.2
163.04001	1.1
165.05559	37.0
165.71834	0.8
167.07135	2.8
179.03351	1.3
179.05612	2.0
183.06615	10.2
191.03468	2.4
195.04774	1.8
195.06592	37.8
196.06911	1.6
196.92793	0.8
205.68536	0.7
209.04507	25.9
211.06076	2.1
213.14874	1.0
229.14284	1.4
249.07678	7.9
257.13788	1.1
275.09158	1.0
293.06525	2.1
301.10727	7.2
319.11774	14.5
327.08551	1.5
345.09106	4.0
347.11288	2.5
363.10532	3.9
389.10840	32.0
390.10757	1.2
481.17310	4.5
521.75708	1.0
525.16022	56.0
526.16272	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	525.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	1.5
59.01374	22.9
65.79466	1.0
67.01880	2.4
67.38374	0.8
68.99783	0.9
69.03452	9.9
70.04547	3.7
71.01376	13.7
72.48416	0.9
81.03434	3.0
85.02927	4.2
87.00851	1.5
89.02424	11.1
89.03926	1.0
91.05518	2.7
93.03444	6.1
95.01368	1.9
95.05005	4.2
96.95997	2.2
101.02429	6.5
107.05015	19.7
108.02161	2.4
109.02948	8.3
109.06566	3.2
111.00900	0.8
111.04469	4.0
113.02422	8.0
119.03519	4.6
119.05016	15.9
121.02921	8.2
121.06573	2.0
123.04487	1.7
124.18342	0.9
133.02919	1.9
135.00906	1.5
135.04500	8.7
137.02429	3.7
137.06067	100.0
138.06407	2.3
139.00409	1.4
139.03992	4.6
148.01633	1.3
151.04022	2.6
153.01900	7.6
153.05519	1.2
153.07794	0.8
155.03452	1.3
155.07083	1.9
161.02475	1.2
161.04555	0.8
163.04001	9.4
165.05571	5.6
179.03453	1.3
179.05592	1.8
181.05037	23.9
183.03018	1.4
183.29057	0.8
199.06004	4.0
207.02959	15.4
225.03957	1.7
233.08273	2.2
283.09753	2.8
301.10742	10.4
315.07156	2.3
319.11810	3.4
327.10931	2.0
345.09790	6.9
363.10800	9.4
405.10471	1.6
525.12781	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	525.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
56.89153	1.4
58.00579	5.1
59.01371	100.0
61.98819	10.7
69.56536	3.0
69.56940	8.2
71.01373	70.9
72.99302	4.4
80.96490	2.2
83.01368	2.1
83.79663	1.5
85.02936	12.0
87.00864	4.5
87.45643	1.5
89.02432	87.3
95.01373	4.0
100.65285	1.6
101.02425	33.2
113.02435	22.4
119.03477	26.1
119.04932	1.6
121.06579	3.5
131.03499	3.1
135.04463	3.8
137.84193	1.5
143.03461	5.8
145.02910	1.9
156.85591	1.6
161.02412	4.1
161.04501	4.6
163.04025	3.8
169.90105	1.8
179.03430	3.1
179.05582	14.5
181.08643	2.8
225.07500	2.1
225.11378	1.7
247.09680	5.3
324.75723	1.9
327.21646	5.7
340.51697	1.8
443.12582	2.2
491.71805	2.1
525.23041	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	525.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40837	1.3
57.03432	2.0
59.01378	19.3
61.98824	100.0
62.98519	1.4
71.01371	15.7
71.62855	2.2
72.99314	1.3
73.02934	3.5
81.81130	1.3
85.02943	6.5
89.02425	8.8
89.03947	1.3
90.09119	1.4
95.08665	4.0
95.58276	1.3
99.00904	1.7
99.04501	2.6
101.02422	8.5
109.02956	2.8
113.02444	5.7
117.03461	5.8
119.03475	5.3
120.99589	1.9
121.02931	1.5
122.06114	6.9
123.04524	2.5
123.06393	2.5
132.02164	12.3
132.24657	1.3
133.02948	13.0
134.03722	41.3
135.04515	41.0
136.04884	1.9
137.02434	4.6
137.81372	1.4
139.03981	5.6
145.02954	1.7
147.04515	3.8
149.06055	7.0
152.07158	10.6
153.05618	1.9
153.07520	3.9
160.01634	54.1
161.02426	33.7
161.04475	2.0
162.02841	2.5
163.03911	2.5
165.01913	5.7
166.05162	1.7
169.08658	7.5
173.06049	2.1
175.03973	89.9
176.04684	9.2
177.01965	2.6
178.02679	4.0
179.03488	14.5
185.11836	1.9
191.05569	2.8
191.07135	10.2
193.05035	51.6
194.05338	2.4
198.37000	1.4
207.06570	2.5
208.39687	1.4
218.16125	1.5
220.03720	1.7
221.04491	1.6
235.06113	25.5
237.80063	1.4
239.11963	1.9
251.05644	2.2
265.07175	5.5
279.08621	1.9
283.10846	4.2
284.11133	7.1
295.08060	8.1
349.14978	43.0
350.15530	2.0
355.10226	1.8
363.16443	2.0
449.18985	12.4
493.17990	32.5
525.19836	76.8
526.20020	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	525.2335
Annotation	1-Hydroxy-2,7,9-trideacetylbaccatin I
Peak:m/z	Relative Intensity
55.68962	0.5
59.01374	64.3
61.98818	2.7
71.00986	0.8
71.01373	11.5
72.99265	0.6
73.02943	0.5
74.49950	0.5
85.02941	2.1
89.02441	10.3
94.68553	0.5
95.01379	0.4
95.05034	0.9
97.06548	0.8
101.02429	7.3
107.73971	0.5
109.06567	0.6
110.85652	0.5
111.08107	0.9
113.02440	5.0
119.03509	3.4
119.04990	5.5
122.12944	0.5
132.51080	0.5
133.02895	0.6
134.03706	0.7
135.04526	2.7
137.02446	0.5
137.06036	0.9
139.11269	1.0
143.03522	0.7
150.75591	0.5
161.02412	1.8
163.11281	1.7
178.02695	0.7
179.03435	2.5
179.05550	0.7
181.12331	7.9
183.10173	2.9
207.10266	1.0
210.69237	0.5
225.11292	17.3
226.11600	0.7
299.11307	3.6
300.12302	1.4
301.12650	1.3
340.08276	2.3
341.08771	0.5
507.22113	2.6
509.09402	0.5
525.23328	100.0
526.23627	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	525.246
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27977	0.4
66.95907	2.3
71.62098	0.5
75.65718	0.4
80.91680	1.9
82.95408	100.0
84.00903	3.3
84.78677	0.5
107.47462	0.5
131.16119	0.5
134.50305	0.4
180.01364	0.5
187.38927	0.5
217.01105	0.4
277.21597	2.6
388.31491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23689	2.9
51.85941	2.8
59.01374	16.7
61.98810	19.1
69.46871	20.7
71.01354	8.6
73.01035	2.3
73.02909	4.3
74.76845	2.7
85.02923	3.9
87.00883	3.6
89.02456	2.8
94.68051	2.6
100.69975	2.5
101.02412	6.3
113.02398	3.1
125.09532	2.4
161.04517	3.5
163.74336	2.5
252.38773	3.2
356.75983	2.7
472.41412	2.5
489.26895	50.4
490.27466	3.1
525.24615	100.0
526.25049	8.0
527.08521	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	525.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	44.4
60.28148	2.8
61.98829	14.9
62.69602	2.6
71.01369	10.8
73.02927	5.6
85.02923	4.4
89.02418	4.5
96.96024	3.2
98.19736	4.6
99.00901	2.9
101.02420	12.1
113.02464	4.8
126.69438	2.9
161.04538	5.3
161.34453	2.5
229.54039	2.8
261.01996	2.7
266.86295	2.9
326.50150	2.5
333.57709	3.0
357.23083	3.6
489.27020	49.1
507.08997	3.0
525.24554	100.0
526.24994	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	525.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	100.0
65.54700	27.9
81.02820	23.6
81.05571	28.8
89.97522	25.6
98.19875	84.1
119.05006	40.2
149.06064	29.1
163.04071	27.5
195.08380	26.7
199.81898	24.9
229.29591	32.8
253.21637	83.3
280.48605	28.5
287.26489	28.5
300.12589	53.9
301.12701	81.1
417.82724	31.2
443.48352	26.8
525.28345	61.9
541.42792	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	525.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	62.0
61.98820	74.6
75.02535	27.5
78.95900	37.2
119.05016	39.2
133.05219	29.3
152.99516	46.1
160.66673	28.4
229.52379	36.8
253.21703	100.0
300.12262	37.5
301.12967	38.9
496.46750	34.3
525.28168	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3059
Annotation	Simplexin H
Peak:m/z	Relative Intensity
52.00393	0.2
52.40048	0.1
55.01866	0.6
57.03444	1.4
58.00595	0.2
59.01371	100.0
60.01713	0.6
61.98826	0.4
63.78234	0.2
69.03443	0.4
71.01374	14.1
71.60426	0.2
71.60751	0.2
72.99299	0.4
73.02941	3.5
73.03336	0.3
73.57212	0.1
79.95745	0.1
83.01377	2.1
85.02941	9.8
87.00864	0.8
89.02431	1.8
95.01372	1.7
96.96014	0.3
97.02950	0.4
99.00867	1.9
100.44138	0.2
101.02431	6.7
111.00860	0.2
113.02436	7.6
114.02796	0.2
119.03489	0.5
123.04505	0.2
124.01650	0.2
125.02479	0.6
129.01952	0.2
143.03461	1.1
159.03008	0.6
161.04536	4.3
161.05835	0.3
179.05659	0.2
183.00325	0.2
190.68552	0.2
222.29929	0.2
279.07333	0.2
301.12930	0.2
303.23383	0.2
312.37064	0.2
321.24298	2.4
407.04736	0.2
435.27618	0.5
465.28485	20.1
466.28848	1.6
483.29544	15.3
484.29904	1.7
507.29324	1.3
525.30377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04630	0.3
53.94236	0.3
54.84192	0.3
59.01372	1.7
61.98824	100.0
69.82368	1.7
71.01378	1.3
75.00881	0.3
78.35772	0.3
85.02953	0.4
89.02434	0.8
93.03459	0.3
96.96030	1.0
99.00894	0.4
101.02450	0.7
111.16063	0.3
113.02483	0.7
119.05006	0.4
119.38159	0.3
133.02980	0.7
134.03658	0.3
135.04521	0.7
136.05939	0.3
151.04027	0.3
161.02444	1.4
163.04037	0.5
166.26625	0.3
183.74725	0.3
187.20416	0.3
195.15009	0.3
197.60365	0.3
211.06085	0.4
247.98485	0.3
400.63095	1.1
401.13409	0.4
466.23062	0.4
524.63989	0.3
526.22473	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65542	0.2
54.18034	0.2
58.76492	0.2
59.01376	1.9
61.98823	100.0
71.01382	0.9
83.31214	0.2
85.02957	0.5
89.02432	0.6
96.96007	2.9
101.02447	0.2
111.00894	0.3
113.02454	0.7
118.24790	0.2
121.41558	0.2
124.05561	0.3
125.65903	0.2
132.37029	0.2
133.02962	0.9
135.04515	0.9
161.02383	2.0
179.03474	0.5
223.13425	0.6
267.12350	0.8
271.98026	0.3
385.09680	0.2
414.15857	0.3
423.66483	0.3
430.02460	0.3
436.15619	0.3
445.16437	0.5
445.66403	0.4
461.16772	0.3
463.15048	0.3
466.22476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98822	100.0
62.01851	0.3
62.98539	0.3
70.85573	0.3
71.01382	0.5
73.53267	0.3
89.02432	0.4
90.61295	0.3
96.96008	0.7
97.02946	0.3
97.23730	0.3
101.02459	0.4
133.75955	0.3
135.04591	0.6
155.10844	0.3
157.59769	0.3
161.02438	0.8
222.08537	0.3
290.52029	0.3
318.80762	0.3
343.67142	0.3
400.12958	0.3
400.62839	0.7
408.76889	0.3
526.22491	1.5
529.15857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98822	100.0
62.01851	0.3
62.98539	0.3
70.85573	0.3
71.01382	0.5
73.53267	0.3
89.02432	0.4
90.61295	0.3
96.96008	0.7
97.02946	0.3
97.23730	0.3
101.02459	0.4
133.75955	0.3
135.04591	0.6
155.10844	0.3
157.59769	0.3
161.02438	0.8
222.08537	0.3
290.52029	0.3
318.80762	0.3
343.67142	0.3
400.12958	0.3
400.62839	0.7
408.76889	0.3
526.22491	1.5
529.15857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05159	0.5
59.01377	6.8
61.98819	9.4
68.01411	2.4
71.01385	1.1
71.05013	4.1
71.61736	0.9
80.96506	0.6
81.02187	1.0
84.04532	13.0
85.02967	1.0
93.02200	0.8
94.02980	0.6
97.06582	0.7
100.04037	4.0
101.02398	1.0
102.05606	1.2
110.06097	6.9
119.05023	0.7
137.01181	3.3
137.06059	3.2
142.08682	0.6
143.03423	0.8
149.08496	1.0
149.09700	20.2
152.03514	100.0
153.03917	1.7
154.05054	4.3
161.02403	1.4
162.05568	1.4
168.06625	1.1
178.08730	0.7
180.06673	0.8
185.09659	1.3
186.07686	16.6
186.09346	1.0
190.05136	0.6
194.02267	0.6
227.10715	1.3
227.66837	0.6
238.07166	44.7
239.07539	1.0
260.12891	3.5
268.13452	0.7
269.10635	0.7
270.11462	1.2
270.14987	0.9
291.19650	1.8
302.13882	11.2
312.15945	6.7
339.15909	2.1
346.16461	0.9
356.14938	1.6
376.13876	2.8
388.17511	2.2
410.87634	0.6
412.19672	0.6
494.21420	0.7
526.24371	9.9
527.24158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92015	0.5
59.01358	2.9
61.98827	3.9
67.93416	0.6
71.62251	0.7
78.95893	5.9
85.27335	0.7
96.95962	0.6
101.52203	0.6
107.87257	0.6
137.06104	3.5
137.06969	0.7
164.59586	0.6
168.04260	1.0
191.14427	1.6
217.15927	1.2
224.06900	0.6
234.76430	0.7
242.07950	2.6
251.20123	100.0
252.20424	5.1
362.25833	0.6
406.22375	0.9
476.27798	39.3
477.27957	3.6
488.34515	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	526.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81406	2.5
56.79946	2.8
59.01342	2.5
61.98812	3.7
64.45454	2.4
66.95895	3.1
69.44731	7.0
69.45142	12.6
75.81925	2.7
82.95403	100.0
84.00894	63.1
84.95108	38.6
87.00850	3.0
89.10579	3.0
96.75601	2.9
98.20582	6.2
102.67226	2.6
142.91634	2.5
151.86244	3.1
151.87527	2.8
193.29007	2.8
277.21725	33.4
278.22348	2.5
284.45282	2.9
425.33890	4.3
527.28778	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	526.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33356	4.1
59.59789	4.3
60.10571	3.6
61.98814	15.9
68.76250	3.6
70.88839	9.3
78.97506	4.0
90.65720	4.0
90.92155	3.9
107.28933	4.0
135.08134	12.0
216.67482	3.7
238.42061	3.6
242.15665	3.4
251.19366	3.6
283.14474	4.3
393.48230	3.8
421.36752	16.6
422.15448	4.8
463.37906	100.0
464.38321	7.0
473.52664	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	527.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35685	0.8
59.01378	6.6
61.98827	2.0
69.44685	2.3
69.45108	4.5
71.01368	6.3
72.99334	1.0
73.02959	1.1
85.02937	1.5
89.02431	4.5
96.95998	2.0
101.02438	4.5
113.02441	2.8
117.03432	1.4
119.03470	2.3
123.04515	1.6
132.02139	7.2
133.02954	7.0
134.03741	10.6
135.04512	15.0
145.02917	1.1
149.06046	1.9
153.05533	3.3
160.01630	45.1
161.02423	31.3
165.01875	2.4
175.03970	69.0
176.04486	2.5
178.02711	1.7
179.03444	3.7
189.91283	0.9
191.07095	2.4
193.05034	7.2
207.06613	1.2
211.07632	2.1
235.06055	3.6
253.31041	0.9
273.32510	0.9
295.07889	1.0
315.10828	4.6
337.09216	1.0
405.56390	1.0
453.64697	1.0
467.24664	1.2
491.15521	100.0
492.15894	10.4
527.21246	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	527.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98822	0.7
68.92155	0.2
69.37769	2.1
69.55940	0.2
70.62433	0.2
73.30189	0.3
78.95898	1.9
79.95728	2.6
80.82200	0.3
96.95996	100.0
98.19884	0.4
114.93368	0.3
161.02403	0.5
180.33026	0.2
191.39246	0.3
201.31015	0.2
201.39204	0.3
228.09018	0.2
267.12256	0.6
310.30704	0.3
362.03574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14263	0.2
59.01364	0.8
61.96946	0.2
69.46921	0.2
71.01381	0.3
71.61172	0.3
78.95901	0.7
79.95724	3.2
88.34723	0.2
89.02470	0.4
96.95998	100.0
97.95938	0.3
101.02438	0.5
133.02942	0.8
135.04512	0.3
161.02405	2.2
167.42892	0.2
179.03455	0.4
185.08130	0.5
185.11809	0.2
365.18170	0.4
429.17340	0.2
527.21344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70601	0.2
58.00601	0.3
59.01372	5.5
60.31820	0.2
71.01380	2.8
71.62013	0.3
73.02921	0.2
78.95892	0.3
79.95725	2.8
80.96540	0.2
81.67740	0.2
85.02932	0.6
89.02437	3.8
95.01375	0.2
96.96002	100.0
97.95893	0.4
101.02415	1.6
106.98077	0.3
113.02443	1.4
116.48650	0.2
116.92815	0.4
117.32420	0.2
119.03496	1.4
119.05038	0.3
125.32672	0.2
128.53625	0.2
133.02937	0.6
135.04518	1.6
141.07640	0.2
143.03487	0.2
151.07706	0.2
152.03511	1.0
153.03796	0.5
161.02428	2.1
161.04524	0.4
162.02887	0.2
179.03491	1.1
179.05531	0.7
185.08141	0.6
223.13434	0.9
224.13651	0.2
244.02786	0.2
267.12387	0.5
286.04050	0.2
311.59781	0.2
347.17075	0.3
429.17645	0.3
432.23755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25600	0.3
59.01373	35.9
61.98828	2.9
71.01366	1.0
71.27842	0.7
73.02947	0.4
78.95885	0.5
80.96489	0.6
81.03450	0.4
85.02943	0.4
89.02389	0.5
93.20353	0.3
96.96016	0.6
101.02409	0.7
106.04230	1.3
107.05013	0.7
108.02163	0.5
113.02398	0.7
116.05024	1.0
119.05024	2.7
124.45931	0.4
135.04501	0.9
137.06065	31.9
138.06363	1.0
142.06566	0.9
161.02423	0.7
167.06088	1.8
179.03386	0.5
179.07126	2.1
183.05623	4.3
183.13779	0.3
189.44902	0.3
194.51881	0.3
204.06845	1.7
207.09346	0.4
215.06169	0.5
216.06781	1.0
217.07484	0.5
220.06384	3.9
230.08362	0.6
231.09196	1.4
232.11302	0.6
233.07196	0.4
233.10852	0.5
243.09207	8.9
244.07588	1.4
244.09952	1.9
245.08406	0.3
245.10669	2.0
246.07936	0.4
247.08704	0.8
247.12494	0.3
257.06931	0.5
257.10779	1.5
259.08887	1.6
259.12381	4.9
260.10651	0.8
261.10309	1.2
269.10776	0.4
271.08734	5.3
272.09494	0.8
273.10254	1.6
274.11160	1.6
275.08240	33.0
275.11615	2.1
276.08649	2.4
285.10223	0.8
287.08578	0.4
287.11871	10.4
288.08997	0.9
288.11914	0.6
289.09717	1.1
291.11444	0.4
291.19583	1.0
294.12381	0.4
299.08313	0.7
299.91693	0.3
301.09802	3.0
303.11337	100.0
304.11655	6.1
307.11099	0.4
313.09805	2.1
317.09201	0.4
319.14432	7.0
331.10773	2.5
335.10281	0.7
341.57285	0.4
345.12408	5.1
363.13455	10.2
364.13840	0.9
451.16519	5.3
452.17090	0.6
483.19089	2.4
527.18152	14.6
527.29150	1.1
528.18427	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	527.213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05001	0.3
59.01372	2.1
63.78221	0.3
65.00294	0.4
66.27106	0.4
69.58567	1.8
69.58979	0.5
71.01379	2.2
73.02970	0.4
77.03965	3.4
83.01382	0.5
85.02936	0.8
88.42287	0.4
89.02434	0.8
89.03981	1.0
93.03484	0.8
95.05017	6.4
96.96003	2.3
101.02444	2.0
105.03448	21.5
106.03806	0.6
113.02451	0.8
115.00358	0.5
121.02932	0.5
123.04533	1.7
132.02130	0.9
133.02940	100.0
134.03276	3.0
135.04449	0.7
136.88794	0.3
149.02382	0.8
151.03984	0.9
177.01904	58.3
178.02284	1.5
182.46095	0.4
185.11839	0.4
269.31961	0.3
347.16953	1.1
365.17917	0.5
413.26352	0.4
509.22397	1.0
527.23364	11.3
528.23755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2124
Annotation	Dutasteride
Peak:m/z	Relative Intensity
59.01375	4.0
60.99298	0.7
61.98821	27.3
64.32410	0.5
68.99805	0.6
69.03442	2.5
71.01368	1.9
71.62635	0.5
72.99310	2.9
73.02940	0.7
75.00860	1.6
79.01878	0.5
81.03436	0.5
83.01369	0.9
85.02959	0.9
88.98796	5.3
89.02428	1.9
91.00398	0.5
93.03428	1.1
95.01385	2.6
96.70566	0.5
97.02941	2.2
101.02438	1.9
107.01373	1.3
107.05080	0.5
108.02163	1.8
109.02921	1.7
111.00896	1.3
111.04491	0.9
113.02383	0.6
121.02954	1.1
123.00878	6.3
124.01648	25.6
125.02434	39.2
126.02757	0.6
127.04026	1.0
133.02890	0.6
135.04459	1.4
136.05048	0.5
137.02437	3.6
139.00378	1.1
149.04501	0.6
149.99568	28.1
151.00354	6.0
151.03987	0.6
151.07671	0.6
153.09203	0.7
161.02423	1.1
161.04591	0.7
165.01933	0.9
167.03458	0.8
168.00621	52.6
169.01404	4.7
173.04498	0.5
176.07115	0.8
179.03477	1.4
181.05002	1.8
183.13754	0.6
195.13805	1.0
197.08156	0.8
213.14969	2.7
233.06163	0.7
285.03995	0.6
303.13513	0.5
313.05493	0.7
335.07553	0.5
500.56259	0.5
527.21228	100.0
528.21552	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	527.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78550	1.4
55.01855	3.6
57.03436	3.1
58.00589	3.9
59.01371	100.0
62.01417	1.7
69.03448	1.9
69.52131	9.3
69.52538	2.7
71.01374	94.2
72.99289	4.8
73.02932	10.3
74.31646	1.8
75.00877	1.6
83.01367	7.2
85.02940	23.7
85.27237	1.5
87.00891	2.3
89.02434	55.5
95.01380	6.6
96.95995	33.0
99.00864	10.5
101.02428	49.8
106.04254	1.9
107.08650	4.1
109.06567	9.9
111.00861	1.6
113.02433	32.0
119.03494	19.6
119.04977	2.3
121.06576	39.4
121.95795	1.7
123.04558	1.9
123.08176	1.9
125.09716	1.6
128.18745	1.3
130.39546	1.4
131.03519	1.8
133.02917	2.3
133.06549	8.0
135.08153	5.9
136.99390	1.5
137.06064	38.4
139.07629	1.9
143.03474	2.6
148.44345	1.5
149.04510	1.5
149.09665	2.3
151.07617	39.3
152.08044	1.6
153.09198	2.3
159.02917	1.5
161.02431	7.0
161.04541	10.2
163.07607	1.5
165.05539	12.7
165.09181	2.5
167.02090	3.8
169.08641	8.4
177.05537	3.6
179.05602	3.9
183.06590	5.3
183.10254	3.6
193.08690	2.2
197.08174	6.7
211.72905	1.5
223.09720	2.1
251.18930	1.7
267.12363	1.7
313.12869	57.3
314.13278	2.6
345.11685	3.6
345.15591	2.8
357.11835	14.9
359.13602	2.7
371.13303	11.7
377.14447	63.8
378.14932	1.8
389.14478	62.0
390.14871	3.8
407.15469	4.6
465.17780	1.8
477.17624	3.1
497.20209	37.2
498.20624	3.1
509.20181	71.0
510.20587	6.7
527.20935	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	527.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26225	0.5
58.60543	0.4
58.60887	0.6
59.01375	3.2
61.98821	0.7
69.71794	2.2
71.01364	1.2
71.40258	0.5
78.95898	7.3
82.95410	2.4
110.98513	5.5
167.01117	3.0
185.02144	3.9
204.20741	0.6
216.28264	0.5
225.11330	0.8
255.23251	2.0
277.21680	100.0
278.21976	5.0
336.08939	0.6
340.65298	0.5
389.35367	0.5
445.23553	33.6
446.23758	2.7
527.22876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03440	2.8
58.00570	0.5
59.01375	14.7
61.62072	0.4
62.47663	0.4
67.01884	0.7
68.99772	0.7
69.03454	0.8
69.37306	0.4
70.94257	0.8
71.01376	18.3
72.99302	5.4
73.02930	1.6
75.00863	15.4
80.96501	0.9
83.01376	1.0
84.02197	0.3
85.02941	21.1
87.00870	6.1
89.02435	4.4
95.01375	4.9
96.98942	0.5
99.00879	8.8
101.02426	0.5
103.00378	2.2
111.00850	0.9
113.02435	29.5
115.00356	2.0
117.01931	2.4
125.02370	0.4
129.01915	1.8
131.03424	0.8
149.04567	0.6
157.01405	1.0
160.70462	0.4
175.02483	3.7
193.03529	0.7
205.07068	1.7
223.08141	1.1
231.05016	1.3
233.22520	0.5
247.01054	0.4
249.06117	5.9
266.35257	0.4
267.07190	7.1
277.21677	48.0
278.22131	2.8
360.89737	0.4
439.55005	0.4
467.26294	0.7
469.33408	1.0
483.29901	0.7
509.27536	2.9
527.28461	100.0
528.28821	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03439	2.1
59.01371	9.9
67.01888	0.7
68.99816	0.9
69.03450	0.9
71.01370	13.6
71.61633	0.9
72.99304	3.8
73.02940	1.2
75.00864	14.8
81.13337	0.4
83.01389	0.6
83.05011	1.1
85.02943	16.3
87.00861	5.6
87.01277	0.5
89.02428	2.6
95.01369	3.9
99.00875	8.5
100.23997	0.4
103.00353	1.9
111.00916	0.8
113.02429	21.4
115.00375	1.7
117.01913	3.2
129.01933	1.7
131.03519	0.5
157.01315	1.1
175.02469	2.8
205.07224	0.7
231.04993	1.9
249.06107	17.5
267.07159	3.0
277.21667	59.3
278.22028	2.9
313.24014	0.5
332.18658	0.4
405.48544	0.5
423.32584	1.2
455.17325	1.0
467.26273	0.7
469.33102	1.8
473.18188	1.0
509.27454	3.5
527.15454	3.2
527.28485	100.0
528.28662	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	527.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	14.2
61.98802	9.5
68.67160	5.5
69.40460	52.8
70.46983	6.2
78.95882	29.3
82.95395	9.4
85.68662	5.2
85.69256	5.6
104.69770	5.8
152.99573	40.3
197.02081	9.4
255.23216	100.0
256.23492	8.9
271.05954	8.1
328.25259	6.5
335.77213	6.5
370.06195	7.2
527.29767	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	5.3
63.73883	3.0
69.16549	2.9
69.80846	14.2
71.35891	3.6
78.95893	51.2
96.96922	5.3
98.20664	4.6
99.94147	3.4
101.77858	3.1
151.39101	3.6
152.99579	64.7
159.20815	3.5
197.02151	18.8
224.66951	3.6
255.23253	100.0
256.23737	5.3
271.05890	7.1
329.07993	3.5
385.56528	3.5
415.29642	3.7
486.74194	3.6
527.28906	91.9
528.29974	8.0
543.64178	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	527.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67505	0.2
55.01864	0.7
57.03439	1.0
58.00603	0.3
59.01372	100.0
60.01706	0.9
61.98838	0.4
68.53055	0.2
69.27743	0.4
69.28162	1.8
70.61151	0.2
71.01375	10.1
72.99287	0.3
73.02933	2.4
75.00875	0.3
80.08430	0.2
80.43454	0.2
83.01383	1.0
85.02940	5.3
87.00879	0.6
87.04512	1.5
89.02431	1.3
95.01402	1.3
96.96004	0.5
97.02956	0.2
97.06453	0.2
98.20573	0.4
99.00862	1.8
101.02434	5.3
113.02439	6.6
119.03523	0.4
119.72079	0.2
124.11336	0.2
125.02457	0.5
143.03493	0.8
159.03012	0.5
161.04541	4.1
201.73447	0.2
233.54198	0.2
294.89981	0.2
306.94159	0.3
323.25858	1.0
390.33905	0.2
422.49146	0.2
422.54803	0.2
435.52567	0.2
467.30060	13.7
468.30609	1.0
485.31113	7.3
485.37881	0.3
486.31934	0.8
486.51178	0.2
489.27072	0.4
527.24890	1.0
527.32507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03440	1.1
57.53352	0.2
58.00576	0.6
59.01372	100.0
60.01707	0.9
61.98826	1.9
69.03452	0.6
69.94403	1.0
69.94786	0.5
71.01373	19.4
72.01732	0.3
72.99316	0.8
73.02940	6.7
75.00880	0.5
81.03458	0.3
83.01382	2.8
85.02942	7.9
87.00881	1.2
87.01360	0.2
87.04501	1.6
89.02433	6.9
95.01377	1.5
97.02924	0.4
99.00884	2.0
101.02435	14.8
111.00847	1.6
113.02436	9.0
114.95850	0.2
115.00421	0.2
119.03494	2.3
125.02450	1.1
131.03467	0.6
135.04544	0.5
143.03485	1.8
153.09286	0.2
159.02988	1.4
159.06592	0.3
161.02444	0.6
161.04539	8.6
161.05847	0.5
179.03444	0.4
179.05568	1.6
217.19656	0.3
262.13971	0.2
289.22064	0.4
291.19687	1.5
291.78754	0.3
323.25964	1.0
337.92270	0.3
347.25970	0.4
437.28925	0.3
449.29135	4.0
450.29156	0.3
467.30045	13.1
468.30496	1.0
485.31134	12.9
486.31534	1.1
527.32721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03152	0.2
50.58974	0.2
51.98636	0.2
55.41589	0.2
56.56607	0.2
57.48856	0.2
57.94432	0.2
59.01377	0.5
61.39222	0.3
61.98822	100.0
71.01353	0.3
85.48843	0.3
89.02461	0.3
103.41297	0.3
136.29872	0.2
136.64227	0.3
138.79068	0.2
278.31482	0.3
314.09210	1.2
337.74149	0.3
417.97165	0.3
529.26862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27156	0.3
54.72063	0.3
59.01386	0.9
59.30887	0.3
61.98816	0.3
69.53458	0.3
70.36044	0.3
71.01389	0.8
71.61020	0.3
78.95895	5.4
79.95739	2.5
82.95409	0.5
84.16294	0.3
85.02962	0.5
87.00859	0.4
89.02438	0.6
93.03453	1.3
96.08553	0.3
96.96002	100.0
96.96907	10.0
101.02419	0.5
113.02472	0.5
133.02937	1.2
134.03775	1.4
135.04507	0.3
161.02438	5.7
173.04541	0.8
189.65138	0.3
191.05605	1.6
193.05023	1.7
381.07883	0.3
382.61053	0.3
469.23145	0.3
529.15479	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	529.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13152	0.7
57.03447	0.9
57.75073	0.7
59.01371	5.3
67.01878	3.5
69.03454	1.5
71.01374	7.2
71.62778	0.8
72.99342	1.0
73.02914	0.9
81.03440	1.3
82.44994	0.7
83.01385	0.9
83.04972	0.8
85.02943	3.2
87.00853	0.9
89.02435	2.9
93.03446	21.8
95.01405	0.7
99.00883	1.1
101.02438	3.5
109.02948	1.1
111.00861	1.3
111.04501	4.9
113.02443	2.7
117.03455	2.0
121.24104	0.6
127.04047	0.9
133.02977	2.0
134.03731	17.2
135.04520	7.8
137.02423	5.5
149.04520	1.6
149.06053	1.6
153.09203	5.4
154.09563	0.9
155.03508	4.4
155.04561	0.7
155.07089	0.7
161.02415	4.6
161.04459	1.1
173.04521	100.0
174.04860	2.1
179.03499	9.7
191.05602	5.6
193.05025	17.6
197.08150	4.0
198.08563	1.2
210.58809	0.7
331.14136	0.9
353.08777	5.1
354.08975	0.8
367.10275	44.4
368.10657	2.5
397.22186	1.4
485.24179	1.2
529.18848	2.8
529.26318	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	529.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13152	0.7
57.03447	0.9
57.75073	0.7
59.01371	5.3
67.01878	3.5
69.03454	1.5
71.01374	7.2
71.62778	0.8
72.99342	1.0
73.02914	0.9
81.03440	1.3
82.44994	0.7
83.01385	0.9
83.04972	0.8
85.02943	3.2
87.00853	0.9
89.02435	2.9
93.03446	21.8
95.01405	0.7
99.00883	1.1
101.02438	3.5
109.02948	1.1
111.00861	1.3
111.04501	4.9
113.02443	2.7
117.03455	2.0
121.24104	0.6
127.04047	0.9
133.02977	2.0
134.03731	17.2
135.04520	7.8
137.02423	5.5
149.04520	1.6
149.06053	1.6
153.09203	5.4
154.09563	0.9
155.03508	4.4
155.04561	0.7
155.07089	0.7
161.02415	4.6
161.04459	1.1
173.04521	100.0
174.04860	2.1
179.03499	9.7
191.05602	5.6
193.05025	17.6
197.08150	4.0
198.08563	1.2
210.58809	0.7
331.14136	0.9
353.08777	5.1
354.08975	0.8
367.10275	44.4
368.10657	2.5
397.22186	1.4
485.24179	1.2
529.18848	2.8
529.26318	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	529.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.4
59.01374	5.3
66.88445	0.4
70.37331	0.4
70.98338	0.8
70.98712	0.8
71.01373	5.1
72.99332	0.4
73.02953	2.2
78.41361	0.4
79.85310	0.4
80.96519	0.7
81.49841	0.4
83.01386	0.7
85.02946	3.9
86.00079	0.5
87.00881	1.4
89.02440	1.2
95.01378	0.7
96.95999	2.5
97.02917	0.5
99.00860	0.7
101.02429	3.6
103.03992	0.9
104.42549	0.4
111.00869	0.9
113.02429	3.3
117.03442	0.8
128.03462	0.4
129.01880	0.5
131.03482	1.8
132.02153	1.5
133.02940	24.8
135.04518	4.1
135.84915	0.4
137.02505	0.5
143.04596	0.4
159.02951	0.6
161.02425	100.0
162.02734	2.5
173.04518	1.4
179.03436	2.1
194.07457	0.4
221.04799	0.4
221.06625	2.2
233.16441	0.4
244.94231	0.4
306.07672	0.5
367.12234	1.8
529.15448	45.1
530.15906	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	529.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01377	5.7
60.78036	0.5
60.99302	1.9
67.01880	3.8
69.03445	1.4
71.01377	5.2
73.02938	1.1
76.51693	0.5
81.03445	1.1
83.05021	0.8
85.02944	4.6
87.00879	4.8
89.02438	2.1
93.03448	36.1
96.96008	1.1
98.20609	1.6
99.04510	0.9
101.02432	2.3
108.02190	0.5
109.02919	1.7
111.00881	0.9
111.04500	5.5
113.02434	2.0
117.03418	1.0
119.03596	0.5
125.02464	0.8
127.03982	0.8
132.02170	1.4
133.02943	11.6
134.03723	10.5
135.04533	3.4
137.02437	3.4
147.04497	1.2
148.05220	0.7
149.02400	1.2
149.06067	1.3
153.01843	0.7
155.03477	3.0
160.01624	5.1
161.02426	44.7
161.04535	1.3
162.02887	1.4
164.04756	0.9
173.04527	23.6
175.03973	6.4
176.04774	3.2
177.01929	0.7
178.02747	1.3
179.03450	2.2
191.05566	8.5
191.07155	4.1
193.05040	9.7
207.06607	1.5
208.03755	0.9
220.03745	0.7
221.06657	0.7
223.06137	3.7
235.06058	8.6
260.02823	0.5
265.07034	0.8
295.08191	1.4
353.10806	18.1
354.11404	0.6
456.96793	0.5
480.68439	0.6
497.12918	2.0
529.15533	100.0
530.15918	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	529.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01373	5.0
59.07776	0.4
68.39256	0.3
69.03468	0.5
71.01379	5.2
71.37607	0.4
73.02940	2.0
83.01384	0.8
85.02949	4.7
87.00851	1.8
89.02446	1.5
95.00775	0.3
95.01386	0.5
96.96020	0.6
97.02946	0.8
99.00860	0.8
99.04501	0.4
101.02427	3.7
103.03996	0.6
105.03493	0.5
111.00853	0.9
113.02435	3.9
117.03437	0.9
131.03500	2.1
132.02129	1.6
133.02948	28.2
134.03333	0.4
135.04526	3.9
143.03519	0.4
161.02432	100.0
161.04590	3.1
162.02765	2.3
173.04494	1.9
179.03510	1.4
221.06584	2.0
229.10809	0.6
281.29007	0.5
363.84103	0.4
367.12369	2.6
424.92477	0.4
529.15570	35.3
530.15900	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	529.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
57.03445	0.5
58.00586	0.2
59.01372	4.8
69.03455	0.2
69.25547	2.1
71.01373	5.4
72.13106	0.2
72.99310	0.2
73.02941	2.1
83.01393	0.5
85.02931	4.3
87.00882	1.7
89.02431	1.3
95.01394	0.6
96.95991	0.7
97.02946	0.7
99.00877	0.7
101.02434	3.4
103.04011	0.6
105.03443	0.6
111.00874	1.1
113.02425	3.2
117.03458	1.0
119.03490	0.3
123.04516	0.4
125.02407	0.4
129.01996	0.3
131.03497	1.9
132.02151	1.2
133.02939	25.5
134.03322	0.3
135.04506	3.7
137.02409	0.4
141.01941	0.2
143.03453	0.3
145.39183	0.2
159.02887	0.5
161.02419	100.0
162.02765	2.5
163.03958	0.3
163.06052	0.2
173.04541	1.4
179.03404	1.8
221.06677	1.6
240.91530	0.2
319.10187	0.3
367.12363	2.7
493.22675	0.9
529.15417	35.5
530.15826	2.4
547.34393	0.2
551.63995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1555
Annotation	Pikuroside
Peak:m/z	Relative Intensity
50.74166	0.6
51.95267	0.6
57.03430	1.5
59.01372	2.7
60.99301	3.1
61.69461	0.6
62.93862	0.6
67.01881	8.4
69.03449	2.6
69.28605	4.4
69.29007	1.5
71.01370	4.5
73.02950	0.7
81.03445	2.1
83.05005	1.4
85.02942	5.2
87.00872	14.2
93.03447	61.8
94.03782	0.9
96.96005	2.6
98.20655	1.4
99.00848	1.2
111.04506	9.0
113.02414	1.8
121.90047	0.6
127.04002	1.3
129.01947	1.3
133.02963	2.7
134.03720	17.3
135.04529	1.0
137.02374	1.9
139.03961	1.3
149.06047	6.1
155.03503	2.1
158.17143	0.6
160.01674	1.0
161.02406	10.5
173.04521	21.6
175.03943	1.5
178.02690	8.8
179.03421	1.0
191.05585	99.5
192.05914	1.9
193.05020	22.4
235.05972	0.7
270.69873	0.7
367.10242	23.1
368.10641	1.1
409.11237	2.5
432.45261	0.8
437.56863	0.7
479.74533	0.7
496.87784	0.7
524.22913	0.6
529.15521	100.0
530.15741	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	529.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
59.01375	5.0
69.49904	1.8
71.01371	4.9
73.02944	2.0
73.37081	0.2
77.03957	0.3
83.01398	0.4
85.02943	3.6
86.00073	0.3
87.00856	2.0
89.02436	0.9
95.01377	0.7
97.02924	0.5
99.00809	0.5
101.02435	3.4
102.40953	0.2
103.04008	0.6
105.03482	0.6
111.00862	0.5
113.02440	2.7
115.01859	0.4
117.03445	0.8
123.04518	0.4
129.01912	0.3
131.03505	1.7
132.02165	1.3
133.02939	26.4
134.03282	0.4
135.04507	3.8
140.91862	0.3
141.01927	0.4
143.03506	0.3
143.04585	0.3
159.02986	0.5
161.02423	100.0
161.04590	2.7
162.02782	2.3
163.04048	0.2
163.06172	0.3
172.46584	0.2
173.04536	1.6
179.03459	1.4
221.06572	2.0
306.07587	0.3
307.08102	0.2
319.10379	0.3
367.12402	3.1
401.29282	0.2
435.88663	0.3
529.15527	40.8
530.15784	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	529.1921
Annotation	Dracunculifoside F
Peak:m/z	Relative Intensity
55.01875	0.5
57.03446	0.5
59.01376	3.7
61.11508	0.4
61.98832	2.4
66.28829	0.4
69.92499	1.9
71.01373	5.2
73.02939	2.6
83.01398	1.0
85.02951	3.0
89.02467	2.0
91.05521	0.5
96.95995	1.3
98.19936	0.7
99.00883	0.9
101.02426	4.6
105.03474	0.7
107.05013	1.6
109.02941	0.5
113.02449	2.2
117.03448	1.7
125.02368	0.4
131.03519	0.5
132.02162	1.2
133.02940	17.4
134.03735	7.3
135.04509	100.0
136.04840	3.2
137.02412	0.4
161.02422	55.7
161.04570	1.8
162.02751	1.1
163.03995	0.5
174.01700	0.4
176.64606	0.4
179.03471	62.2
180.03862	2.0
180.24023	0.4
191.05551	0.5
203.53888	0.4
235.11858	2.6
330.80304	0.4
367.16037	0.7
446.85776	0.4
529.19196	82.5
530.19568	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	529.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81041	0.4
55.01867	0.7
59.01376	6.5
61.98818	2.1
69.65887	1.8
69.66296	0.6
71.01380	7.5
71.66875	0.4
72.99309	0.5
73.02939	3.3
83.01385	1.4
85.02945	4.2
87.00864	1.1
89.01955	0.5
89.02442	3.7
89.03949	0.4
91.05529	0.6
93.03416	0.9
94.07104	0.4
95.01379	0.9
96.96010	3.5
99.00881	1.5
101.02424	6.6
107.05011	2.4
111.19634	0.4
113.02438	3.3
117.03450	1.3
119.03500	1.2
123.04517	1.3
125.02400	0.5
131.03487	0.7
132.02159	1.1
133.02937	18.2
134.03734	10.4
134.34039	0.4
135.04507	100.0
136.04840	3.4
137.02405	0.6
149.04562	1.4
149.06111	0.4
153.05487	0.8
155.03487	0.8
160.01662	0.7
161.02423	53.8
161.04568	2.2
162.02742	1.1
172.97411	0.4
173.04527	2.9
174.83624	0.4
175.03973	1.3
179.03471	62.1
180.03835	1.7
187.49309	0.4
190.02609	0.4
191.05595	1.1
193.05025	4.4
220.39610	0.4
235.11865	2.4
263.11136	0.4
265.06870	0.5
323.13416	0.5
335.07611	0.6
349.09146	0.6
349.14853	0.7
353.08698	0.8
367.10315	0.8
491.15558	0.6
529.19232	77.0
529.26123	4.8
530.19531	6.8
530.27350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64778	0.3
59.01374	13.1
61.98813	0.5
65.99825	0.5
68.01387	1.3
71.61475	0.5
78.95916	0.4
96.96040	0.3
100.04032	1.9
106.04195	0.8
107.05007	0.4
116.05034	1.5
119.04991	1.1
124.04046	0.6
126.05566	0.4
129.68437	0.3
137.06065	11.3
137.07132	0.6
138.05573	0.4
142.06584	2.6
152.99564	0.3
161.02422	0.6
167.06120	1.7
169.07639	0.3
182.02170	0.3
188.07115	0.4
204.06834	0.9
209.10806	0.7
217.07681	1.3
218.09850	0.7
219.09204	0.8
220.06349	0.4
220.11234	0.3
221.07141	0.4
224.07211	0.3
230.08464	1.1
231.06911	0.8
231.09192	4.4
233.07170	0.5
235.08742	2.0
243.09253	2.3
244.09909	0.4
245.08539	0.5
245.10777	6.1
246.09537	1.6
246.11514	1.6
247.08727	0.6
247.12325	1.8
248.09579	0.4
250.11055	1.0
257.07190	1.5
258.07852	1.4
259.08713	5.6
259.12210	0.8
260.10800	0.7
261.06714	0.5
261.10226	1.1
261.14050	0.7
262.12289	0.3
263.08246	1.0
264.09048	0.3
270.08795	0.3
271.08670	0.9
273.10327	6.7
274.10843	0.6
275.08231	16.4
276.08719	1.2
276.12637	1.0
277.09821	1.1
277.13373	1.0
278.10880	1.3
285.06796	0.4
285.10333	0.3
286.07410	0.4
287.11884	0.8
288.10089	0.9
288.12692	1.2
289.09790	2.9
289.13440	3.9
290.10599	1.2
292.08487	1.5
293.21057	0.5
299.08060	0.4
300.08981	0.8
303.11377	2.4
305.12897	100.0
306.13223	5.9
315.11426	2.4
317.09250	7.6
318.09930	3.3
319.10934	0.4
319.14600	0.4
321.15927	0.9
329.12921	0.4
332.11700	0.4
333.12378	0.4
337.11890	5.1
338.12296	0.4
347.13937	51.9
348.14215	3.6
365.15167	0.6
391.12921	25.1
392.13245	2.0
409.13766	0.5
441.33878	0.3
529.19757	14.1
529.36273	0.7
530.20111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14674	1.3
55.01869	1.7
57.03441	1.7
58.00588	3.5
59.01374	74.5
61.98827	64.3
62.79790	1.5
69.03432	1.7
71.01376	56.5
72.99303	3.7
73.02943	4.3
75.00870	1.2
79.05540	3.9
83.01388	3.0
85.02941	12.2
87.00859	4.2
89.02438	57.4
91.05523	6.7
93.03465	7.4
95.01363	3.6
96.96012	8.0
97.02943	2.6
99.00835	3.2
99.04491	2.0
101.02441	35.1
104.55572	1.4
105.91306	1.5
107.05054	8.2
111.04524	7.3
113.02439	24.3
117.03448	3.4
119.03515	30.2
119.05013	47.8
121.02950	2.3
123.04531	2.6
125.02423	2.2
129.07103	4.2
131.03476	3.5
133.02930	6.1
135.04523	35.9
137.02444	1.9
137.06078	9.7
142.07748	1.8
143.03493	5.1
143.08672	9.0
144.05795	1.9
145.02965	10.1
147.04507	2.9
149.04526	4.2
155.08597	4.9
157.06602	2.7
157.10236	9.4
159.08147	2.2
159.11774	31.6
160.12048	2.0
161.02451	17.8
161.04535	5.3
163.03998	1.8
169.06538	2.5
170.07367	11.2
172.91762	1.4
178.08752	2.7
179.03473	42.8
179.05664	8.0
183.08116	11.9
185.09697	84.3
186.09932	3.0
199.39888	1.3
201.09123	1.5
201.12819	5.4
203.10759	100.0
204.11119	2.7
211.07614	1.8
217.12311	4.8
227.10703	1.6
229.08694	10.7
229.12349	2.1
245.11777	6.2
247.09631	3.0
253.18321	1.3
281.10342	2.1
291.06537	1.6
299.11346	34.0
437.14258	3.1
485.21582	9.0
493.20334	6.5
529.20752	52.0
530.21155	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	529.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	2.6
59.01373	64.4
61.98823	2.9
62.91542	1.1
69.40482	7.9
69.40918	3.5
71.00980	2.8
71.01371	39.4
72.05718	1.6
72.99285	4.1
73.02927	3.2
79.05497	1.9
81.03419	1.4
83.01350	1.8
85.02949	7.3
87.00850	1.8
89.02435	43.4
91.05515	7.8
93.03438	5.6
95.01375	2.6
96.96003	3.0
97.02921	3.2
99.00896	1.8
101.02438	21.4
104.64388	1.3
107.05004	5.3
111.04512	5.1
113.02436	13.5
114.30300	1.6
116.05025	4.1
119.03496	20.8
119.05002	38.4
129.07071	1.9
129.48776	1.3
131.03464	2.4
135.04491	3.0
137.06059	9.3
139.97301	1.5
142.06578	2.2
143.03462	2.5
143.08636	5.8
146.06056	1.8
147.04416	3.8
149.04543	2.9
155.08630	2.6
157.06480	1.9
157.10243	8.6
159.11752	30.5
161.02374	3.4
161.04518	3.2
163.03987	2.9
168.08125	3.8
169.06569	2.2
170.07372	8.9
173.04590	1.4
178.08835	1.4
179.05574	6.2
183.08173	9.1
185.09697	73.7
186.10030	3.5
201.12823	3.6
203.10754	100.0
204.11049	4.2
210.29253	1.3
211.07655	1.6
217.12222	3.5
227.10646	2.2
229.08708	7.3
229.12259	1.4
245.11812	7.3
247.09657	3.8
263.61813	1.4
281.10229	2.0
293.21124	4.6
299.11282	26.3
305.12952	10.0
311.09280	1.5
321.15891	2.0
365.14908	1.7
437.14645	1.7
485.21725	8.0
529.20374	25.1
530.21045	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	529.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
57.03448	1.9
58.00571	3.1
59.01371	95.1
61.98820	7.0
70.12035	4.4
70.12445	3.3
71.01373	46.7
72.99291	4.5
73.02937	3.2
79.05518	4.2
83.01344	3.3
83.05051	1.7
85.02483	1.4
85.02904	7.4
87.00864	4.2
89.02431	52.1
91.05501	2.7
93.03436	10.2
95.01384	3.6
96.96011	3.4
97.02931	3.3
99.00864	2.1
101.02422	28.0
107.04998	7.2
111.04507	5.4
113.02426	19.8
116.05038	4.2
119.03508	23.7
119.05008	51.0
129.07101	2.4
131.03503	2.2
133.02905	1.9
135.04521	3.5
137.06067	11.4
142.06627	1.9
143.03496	4.6
143.08646	7.4
146.06049	1.6
147.04495	1.9
149.04565	3.6
149.06104	1.9
155.08630	3.0
157.06570	3.3
157.10156	8.3
159.11765	27.7
161.02409	5.5
161.04535	4.5
168.08102	2.3
169.06586	2.6
170.07333	10.2
179.05612	9.8
179.06921	1.9
183.08151	11.6
183.11761	2.4
185.09685	89.2
186.10019	2.8
187.11194	1.5
201.12802	6.4
203.10741	100.0
204.11046	3.2
217.12294	4.8
227.10774	2.5
229.08624	12.0
245.11890	2.7
245.89635	1.7
281.10339	3.6
299.11288	33.6
305.12769	10.7
437.14700	3.2
469.24408	2.4
485.21796	11.1
487.25162	2.4
529.20691	59.5
530.21063	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	529.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
57.96608	0.9
59.01371	12.3
61.98823	3.2
69.24678	1.3
69.25079	8.4
71.01377	13.3
72.99284	3.9
73.02927	1.5
75.00864	14.3
78.95882	2.8
85.02943	15.3
87.00851	4.9
89.02459	2.3
95.01376	3.6
96.95975	0.9
99.00871	7.8
103.00352	2.5
105.93714	0.9
107.60116	0.8
109.06313	0.9
113.02443	18.4
114.25011	0.9
115.00333	1.3
117.01942	2.1
152.99535	2.8
157.01305	1.0
161.02434	1.7
175.02429	2.7
189.50517	0.9
231.05051	2.1
241.19087	1.0
249.06131	18.7
255.23285	1.9
267.07166	3.5
277.21625	1.5
279.23242	74.5
280.23532	3.9
358.38788	1.0
432.48801	0.9
447.23813	1.1
480.30627	1.3
511.29123	2.2
529.30078	100.0
530.30237	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	529.3014
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03428	2.2
59.01376	22.9
60.99302	6.0
61.98801	1.8
62.33861	1.2
67.26962	1.2
71.01041	1.6
71.01381	18.3
71.28629	2.2
72.99276	5.0
73.02934	3.1
75.00865	16.2
76.06015	1.1
78.95891	5.0
85.02942	17.1
87.00870	7.6
88.98244	2.2
88.98795	40.0
89.02433	24.3
95.01377	4.2
96.95992	15.8
99.00884	10.3
103.00327	1.9
113.02439	25.9
115.00370	1.6
117.01923	2.8
129.01883	1.8
130.34761	1.3
144.20847	1.1
152.99510	2.5
168.06834	1.5
175.02429	3.7
205.07149	2.9
231.05061	1.3
249.05980	5.5
255.23294	8.4
267.07144	6.4
277.21628	4.4
279.23254	59.3
280.23550	3.4
321.66708	1.2
480.30692	4.6
511.29108	2.4
529.29944	100.0
530.30402	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	529.3055
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
53.37783	0.5
59.01376	6.9
60.99285	0.6
61.98808	1.5
74.03029	0.5
74.96189	1.0
79.83888	0.5
81.97890	0.5
83.05037	1.3
96.95988	0.8
161.02371	0.6
197.15425	0.5
199.31390	0.5
230.89796	0.5
407.33185	8.1
408.33508	0.7
409.30936	2.0
411.32507	2.6
423.32736	1.1
425.34177	2.8
427.35788	3.1
453.33524	1.5
471.34729	35.6
472.35037	2.9
529.30530	100.0
530.30811	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	529.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.5
61.98823	3.8
71.01373	1.6
71.28138	1.7
101.02441	1.7
163.06117	3.2
305.24829	100.0
306.25168	5.8
400.85321	1.5
469.33435	1.9
529.34662	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	529.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32877	0.3
51.06239	0.4
59.01371	100.0
60.01706	0.5
70.40502	1.0
70.40894	0.8
81.89268	0.4
84.18428	0.3
90.97711	0.4
96.95968	1.0
98.19962	0.4
101.02454	0.8
105.97845	0.4
113.02441	0.8
159.77359	0.4
164.29088	0.4
176.83499	0.4
185.15372	0.4
232.24524	0.4
236.59846	0.4
277.21686	3.3
291.23428	1.6
319.22879	0.5
407.33466	0.6
469.33484	0.4
471.34448	2.3
485.91202	0.5
529.29816	7.4
530.31305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.9
61.98825	0.4
64.07654	0.2
66.84804	0.2
67.51818	0.2
69.24834	1.4
69.25260	0.8
75.76972	0.2
78.95886	0.8
94.47871	0.2
96.95993	0.5
108.37720	0.2
161.02472	0.4
168.35081	0.2
253.21693	8.0
254.22026	7.5
254.24724	0.3
256.86075	0.3
377.28122	0.3
389.28311	0.3
391.30292	0.3
405.31488	0.4
439.32147	1.7
441.33713	0.7
469.33142	20.6
470.33356	1.8
478.29300	1.2
479.29678	4.0
529.35260	100.0
530.35645	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	529.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16757	0.2
59.01372	100.0
60.01714	0.6
61.98827	0.5
63.95269	0.3
71.01374	1.8
71.66216	0.3
73.02939	0.4
85.02946	0.4
89.02448	1.1
98.20628	0.8
100.47322	0.4
101.02438	1.7
113.02454	0.8
127.32613	0.3
131.03535	0.4
131.05101	0.4
135.85475	0.3
137.33850	0.3
140.78418	0.3
140.99767	0.4
158.51660	0.4
196.59166	0.3
233.48186	0.4
273.22305	0.4
277.21646	3.6
291.23175	2.0
319.22864	1.2
529.35901	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	530.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43705	0.2
59.01361	0.4
60.17501	0.1
61.98824	100.0
64.12607	0.1
69.03426	0.2
69.48743	1.3
89.02431	0.2
93.03471	0.4
96.10060	0.2
101.95219	0.1
102.37494	0.1
111.00867	0.7
111.04525	0.2
113.02425	0.2
125.59680	0.2
135.04567	0.2
139.00389	0.3
140.34680	0.2
158.59534	0.2
192.32111	0.2
273.07718	0.7
275.05658	0.5
307.08163	1.9
315.08655	0.4
382.71411	0.2
531.28040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98821	100.0
68.99824	0.1
69.25298	0.9
71.01382	0.2
73.46936	0.1
83.43941	0.1
85.02889	0.1
89.02453	0.2
93.03474	0.4
101.02446	0.3
111.00864	1.0
111.04506	0.3
113.02407	0.1
126.54702	0.1
127.04016	0.2
134.19254	0.1
137.02507	0.1
139.00378	0.6
153.05623	0.1
173.04575	0.2
176.47218	0.1
240.64552	0.1
273.07657	0.5
275.05725	0.4
307.08145	1.8
315.08643	0.6
333.09665	0.2
394.21545	0.1
403.05804	0.1
414.41467	0.1
435.13107	0.2
530.27216	0.1
531.28809	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	530.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37672	1.2
52.40995	1.3
57.42960	1.1
57.81195	1.4
59.01375	89.3
61.98833	8.9
62.03200	1.3
65.03939	2.6
71.01337	1.6
71.08781	1.4
71.62069	1.2
71.62572	1.9
72.77740	1.5
75.00876	1.5
81.81470	1.3
90.03659	1.5
112.07668	3.0
114.09208	1.6
119.05051	3.4
121.06586	8.7
123.04500	6.0
130.08646	1.4
132.04544	1.7
133.05310	2.2
134.06129	1.5
135.04517	2.7
146.85754	1.4
147.04504	1.6
148.05254	4.8
149.06047	4.4
150.05577	1.6
151.07645	4.0
153.05533	5.2
160.03963	2.1
161.04788	5.4
162.05553	2.3
172.85629	1.4
174.05566	1.6
175.06250	1.5
179.07100	1.5
186.12828	1.5
189.07869	1.7
190.12265	1.9
194.11858	3.3
195.06589	6.0
204.11960	2.6
204.13910	52.9
205.14319	2.0
214.12335	3.8
214.24722	1.7
217.10974	1.7
230.11885	1.6
232.13388	51.4
233.13684	2.1
246.14973	11.0
248.12851	16.7
258.11292	1.5
264.16049	13.9
276.12173	1.7
290.13965	5.0
308.15063	16.0
332.14832	2.7
346.77362	1.5
350.16147	1.8
394.15109	3.0
412.17615	2.3
444.20163	7.7
470.18250	1.7
488.19183	26.3
530.20227	100.0
531.20667	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	530.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47928	0.6
57.03416	0.9
59.01373	100.0
60.01689	1.1
71.01372	7.8
71.62688	1.3
72.01688	0.7
73.02937	3.8
85.02963	2.8
89.02430	7.1
92.05093	0.9
99.00877	1.6
99.04534	1.0
101.02433	5.5
113.02423	3.4
117.03487	1.5
118.02990	1.7
119.03516	1.7
119.04989	1.6
131.03600	0.9
132.04538	2.4
134.03769	2.3
137.06068	32.7
138.06433	0.7
145.02980	0.9
146.02477	1.6
149.04509	1.3
150.05627	3.2
155.10762	3.7
159.03169	1.5
160.01749	0.7
160.04004	5.2
161.02466	0.8
161.04539	2.1
162.01974	2.1
166.03581	0.7
174.05548	0.9
174.40703	0.7
176.07222	0.8
186.05611	0.9
188.03557	2.6
189.04343	2.0
190.01477	2.5
192.06700	3.2
193.05089	3.0
199.09700	1.3
202.12442	0.8
204.02962	7.6
204.10306	0.9
206.04611	1.2
210.25775	0.7
217.03818	3.0
218.04591	3.7
220.13481	1.1
230.11887	2.7
232.02458	5.3
232.10025	1.7
244.09891	1.1
246.11110	0.8
247.04749	5.3
260.12976	3.1
261.10068	1.0
261.13297	0.7
262.14429	3.3
264.12454	3.9
274.10815	5.5
276.12354	7.2
276.14874	0.8
278.06781	2.2
288.12393	7.6
304.15741	1.3
306.13403	10.6
306.16510	0.9
318.13431	7.4
334.13025	0.7
355.09863	1.4
366.15796	1.1
397.02869	0.7
399.23819	1.7
426.19107	6.6
428.75876	0.8
444.20239	0.8
530.20288	1.7
530.27234	7.1
531.28369	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	530.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72542	0.5
57.03454	0.7
59.01368	2.5
60.94458	0.5
61.98821	3.1
63.05807	0.5
69.29377	1.2
69.29783	3.4
71.01381	2.5
72.99283	0.7
75.00862	3.4
78.95892	17.9
78.96365	0.9
85.02928	3.7
86.03257	0.9
87.00855	0.7
95.01375	1.2
99.00879	1.4
99.63420	0.5
100.01199	0.5
113.02428	3.5
120.34898	0.6
152.99556	3.3
168.04378	2.8
224.06871	7.8
242.07925	1.8
255.23253	100.0
256.23578	5.4
277.21716	2.3
279.23230	4.7
280.23593	7.2
445.23218	0.9
473.20154	0.5
479.60327	0.5
480.30872	68.1
481.31155	5.1
494.24268	0.5
530.30408	20.4
531.30823	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	531.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52669	0.2
59.01397	0.2
71.61005	0.2
78.95895	14.5
79.95728	2.6
82.48795	0.2
87.34640	0.2
91.47725	0.2
96.96003	100.0
96.96925	25.3
97.95935	0.3
101.02396	0.2
115.94083	0.1
148.80713	0.2
196.97926	0.2
220.37590	0.2
375.54633	0.2
429.93814	0.2
491.04129	0.2
531.10583	0.6
551.49445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
60.89292	0.2
61.98827	0.2
71.01385	0.4
71.60682	0.2
75.00881	0.2
76.17999	0.2
78.95898	16.8
79.95743	2.6
82.40741	0.2
83.05003	0.2
87.00875	0.2
89.02440	0.3
93.03428	0.7
96.95999	100.0
96.96943	30.0
97.95937	0.4
101.02450	0.4
103.39561	0.2
109.02914	0.5
110.13460	0.2
111.04507	1.4
137.02390	0.3
149.06075	0.2
150.03226	1.6
155.03430	0.5
165.05550	3.4
173.04515	0.2
174.58992	0.2
191.05511	0.2
213.07751	0.2
252.42053	0.2
299.07767	0.2
339.79459	0.2
468.45804	0.2
531.10388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.15
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11088	0.7
59.01372	2.3
62.66110	0.6
69.61156	1.6
69.61567	3.4
71.01375	2.0
83.84917	0.6
84.08427	0.6
89.02412	0.8
107.10522	0.6
109.12776	0.6
117.03450	32.0
119.05005	14.0
137.06030	1.0
143.04988	3.1
145.02933	100.0
146.03250	2.3
163.03987	19.5
187.03964	2.3
211.07881	0.6
276.42694	0.7
404.80112	0.7
487.15982	34.2
488.16342	3.2
494.36734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.2
61.98820	1.1
62.71758	0.3
69.57491	2.1
71.01385	1.7
73.02935	1.3
85.02943	1.3
89.02431	1.1
93.03477	0.6
95.65661	0.3
99.00859	0.5
101.02429	1.5
108.84180	0.3
113.02438	1.1
117.03452	33.3
118.03772	1.0
119.05009	25.7
120.05362	0.5
134.03691	0.3
135.04497	0.5
137.06068	1.0
143.05016	1.5
144.67755	0.3
145.02934	100.0
146.03282	2.7
149.02350	0.3
149.04539	0.5
150.03078	0.4
155.10794	0.5
158.74248	0.3
161.02403	0.6
161.04553	0.5
163.03992	28.5
164.04385	1.0
175.00392	0.8
176.01117	2.4
177.05534	2.0
187.03986	1.4
190.02713	2.2
191.03470	3.2
191.05258	0.6
205.05025	2.0
209.04524	0.4
223.06036	0.7
264.77820	0.4
268.20007	0.3
301.02390	0.4
353.08789	3.1
367.10342	3.6
385.11496	0.6
395.64569	0.4
397.61880	0.4
445.14395	0.3
487.16028	42.4
488.16434	3.3
531.15045	4.3
531.23169	0.4
531.27826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42600	1.3
55.01847	2.0
57.03444	2.1
59.01371	97.1
61.98825	1.7
69.03445	5.5
71.01373	56.2
71.62225	2.0
72.99302	2.8
73.02945	16.0
81.03442	2.8
83.01373	6.2
85.02943	29.9
87.00851	8.0
89.02429	29.6
92.08155	1.4
93.03456	10.7
95.01367	8.0
96.95992	3.7
97.02941	4.2
99.00860	5.6
99.04492	1.8
101.02431	24.3
103.03999	4.2
109.02924	1.8
111.00830	2.3
111.04509	1.8
113.02431	53.2
119.03535	8.6
119.05010	30.3
120.05371	1.5
125.02454	10.3
127.04022	2.8
131.03517	3.7
133.02927	4.4
134.03702	4.4
135.04486	9.7
137.02425	2.8
137.06053	4.3
143.03462	4.5
149.04552	3.2
155.03506	9.1
160.01637	4.3
161.02426	10.9
161.04517	6.8
162.02782	2.2
163.04012	3.9
163.06165	1.9
173.04559	9.7
175.03964	5.4
179.03455	2.5
179.05617	1.5
191.05579	53.2
193.05017	5.0
203.05563	12.0
229.01447	3.4
281.10254	8.3
299.11362	5.3
321.07721	1.4
339.04977	6.2
341.12314	9.5
357.09598	11.6
358.10300	1.8
363.89490	1.7
366.67386	1.6
418.62009	1.5
427.15945	2.8
445.17102	44.9
446.17633	2.1
487.18127	100.0
488.18320	7.0
495.15207	2.0
531.16162	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	531.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
69.88238	16.4
71.01379	56.4
73.02929	16.9
83.01390	8.1
85.02944	20.9
87.00856	5.1
89.02441	27.9
89.28775	2.8
93.31902	3.0
94.19615	2.9
95.01376	7.8
97.02959	3.3
99.07154	3.2
101.02428	29.7
103.03976	4.1
113.02447	47.3
119.03473	12.4
119.05016	27.9
125.02459	6.9
131.03448	3.2
131.58540	3.8
133.02943	8.6
134.03294	3.8
137.06041	4.7
143.03459	3.3
155.03462	9.8
161.01520	2.9
161.02469	31.5
161.04527	6.3
162.02771	17.0
163.02985	9.4
203.05576	12.0
205.23854	3.4
208.79507	3.4
233.54990	3.6
281.10254	8.5
299.11359	4.7
341.12363	11.4
437.77411	3.3
445.17065	48.8
487.18073	95.9
488.18134	8.2
531.16455	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	531.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	1.6
58.00576	1.8
59.01373	94.7
60.73190	1.4
69.03443	4.2
69.77733	9.0
71.01373	49.9
72.99290	2.5
73.02948	12.5
73.33089	1.4
75.89176	1.5
76.54046	1.4
80.59986	1.7
81.03438	1.4
83.01391	3.4
85.02943	21.6
89.02435	24.2
95.01373	6.0
97.02916	4.1
99.00845	4.0
101.02426	24.7
103.03999	3.4
111.00854	1.9
113.01682	2.9
113.02438	44.0
114.02745	2.0
119.03548	9.2
119.05009	28.8
125.02444	8.8
127.04008	2.1
128.52409	1.5
131.03424	2.3
133.02895	1.9
137.06064	3.6
143.03552	7.6
143.04504	1.6
155.03474	9.4
161.02409	8.4
161.04518	5.4
162.02794	3.9
163.02951	2.2
163.06068	3.6
203.05539	14.2
281.10245	11.1
299.11142	5.1
341.12244	8.7
421.87918	1.7
427.15900	2.7
445.17062	45.1
446.17300	3.2
487.18152	100.0
488.18451	9.5
531.16046	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	531.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.0
58.51446	0.6
59.01372	36.5
61.98825	19.8
62.82190	0.5
64.45159	0.6
69.03434	0.7
70.35493	0.5
71.01372	23.2
71.61465	1.2
72.99303	2.0
73.02943	6.0
82.95406	1.0
83.01385	2.0
83.05000	0.9
84.30827	0.5
85.02942	4.1
89.02433	40.3
90.02739	0.9
93.03437	9.8
95.01393	0.6
96.96016	1.9
97.02950	1.0
99.00869	11.8
101.02424	16.3
107.04996	0.6
111.00846	0.6
113.02439	7.2
117.03447	13.7
119.03547	3.6
119.05010	100.0
120.05339	2.4
121.02936	0.7
125.02437	2.4
131.03487	6.9
131.05003	0.7
133.02925	2.8
133.06587	1.3
133.10210	0.8
135.04523	6.6
135.11792	2.8
136.04918	0.6
137.02435	10.4
137.06110	1.0
143.03452	0.7
145.02934	60.2
146.03311	2.1
149.04539	25.6
151.05135	0.9
155.10786	1.8
159.04472	1.5
159.11824	1.6
161.02411	7.0
161.04536	2.7
161.05865	3.0
161.09729	3.5
163.03987	90.3
164.04367	2.2
171.08090	0.6
173.04524	0.7
177.05547	2.1
179.03456	5.3
179.10733	9.9
185.09680	1.3
186.09961	0.8
187.03976	6.5
191.05580	5.9
191.07120	1.0
203.10748	5.0
204.11049	1.5
205.05086	2.7
221.04536	1.1
221.06667	1.4
223.09694	6.2
234.55222	0.7
235.05971	1.0
251.05586	1.8
251.07796	1.4
265.07126	2.0
281.06631	3.6
307.08228	12.7
308.08615	0.8
325.09283	3.5
341.08670	1.7
367.13959	2.1
385.15115	5.6
469.24741	0.7
487.19464	3.7
487.25574	5.5
493.20938	0.9
531.18359	7.3
531.28204	5.6
532.18750	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	531.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
56.79376	1.2
57.03443	2.6
58.00578	4.5
59.01373	100.0
59.47871	1.0
61.98811	3.5
63.35679	1.1
71.01372	59.6
72.16859	1.4
72.99278	4.7
73.02915	4.4
74.55427	1.1
75.51151	1.2
78.95882	2.9
79.05498	2.7
81.03454	5.4
83.01365	2.9
83.05025	1.5
85.02947	12.3
87.00853	5.7
89.02432	84.1
93.03445	1.5
95.01347	4.0
95.05000	2.8
99.00849	2.7
101.01772	2.2
101.02431	37.4
106.04236	2.3
107.04996	3.5
111.00861	1.2
111.94090	1.1
113.02438	23.9
113.06059	5.3
116.68819	1.1
118.51209	1.2
119.02641	1.4
119.03512	34.0
119.05003	49.3
120.05325	2.3
127.82082	1.3
131.03442	4.0
135.04501	6.9
137.02423	18.1
137.06053	8.3
140.43681	1.2
143.03448	4.9
149.04547	7.9
149.05602	1.6
152.99507	4.5
159.11729	5.0
161.04538	8.1
161.13333	44.0
162.13593	1.9
171.08096	1.8
173.04425	2.3
179.05594	15.0
185.09633	2.7
185.13142	1.8
187.11258	95.2
188.11554	4.9
203.14337	2.8
205.12317	41.6
206.12692	1.5
229.12213	4.0
230.29410	1.5
247.13345	3.0
281.10175	4.2
291.06372	1.4
299.11313	74.0
300.11539	4.0
399.23471	1.1
445.18866	1.6
487.23483	11.9
488.23547	1.6
531.22015	39.8
532.22467	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	531.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39178	0.8
55.01854	1.7
57.03441	1.4
58.00586	4.7
58.31749	0.9
59.01374	100.0
61.98843	1.0
64.57848	0.8
68.87507	0.8
69.93148	3.5
71.01376	63.0
72.99297	3.8
73.02952	7.6
79.05525	1.1
79.67256	0.7
81.03449	2.4
83.01369	2.4
83.05010	1.5
85.02942	14.8
87.00881	3.9
89.02435	79.5
92.36122	0.8
93.03424	1.0
93.07066	0.8
95.01385	4.9
95.05016	3.9
97.02951	1.7
99.00885	6.5
101.02434	37.3
106.04225	2.1
107.05007	3.1
113.02432	28.2
119.02623	1.6
119.03503	32.1
119.05001	42.1
119.12737	1.0
123.45845	0.8
124.56632	0.8
125.02415	2.9
129.07066	0.9
131.03496	6.1
132.05780	1.0
137.06093	5.3
143.03513	7.1
149.04547	8.7
157.06541	1.7
159.11778	6.3
161.04555	10.3
161.13336	48.0
162.13702	2.4
169.10196	1.7
172.08945	2.1
179.05591	13.0
185.09668	3.4
185.13237	1.4
187.11259	89.8
188.11591	3.6
191.05597	3.1
203.14346	1.3
205.12311	41.6
205.14246	2.2
206.12650	2.3
219.13818	1.0
229.12265	4.6
231.10387	1.7
233.06522	1.8
236.82585	0.8
247.13338	2.5
249.11179	1.3
281.10327	3.2
293.08768	0.9
299.11316	69.0
300.11652	2.8
399.23727	2.3
408.37631	1.0
487.23291	11.5
488.23743	1.4
531.20941	8.3
531.29138	9.8
532.28717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55269	0.5
55.01875	0.9
59.01088	1.1
59.01370	14.4
61.98822	73.8
62.98541	0.9
62.99244	0.7
69.03427	0.5
70.62695	0.6
70.63058	1.6
71.01373	12.3
72.99303	0.7
73.02945	3.4
77.03967	0.6
78.15696	0.5
82.95412	4.8
83.01383	1.3
85.02927	3.7
89.02430	10.4
97.02968	0.5
99.00871	3.1
99.04505	0.6
101.02422	6.5
105.03424	0.9
107.05026	0.8
109.02935	1.0
111.00871	0.7
113.02423	5.1
117.03444	0.9
119.03477	0.9
131.03497	1.8
132.02141	1.9
133.02937	37.2
134.03661	2.3
134.31374	0.5
135.04509	47.7
136.04816	1.1
137.02408	2.5
137.09720	2.5
143.03523	0.9
148.05249	1.8
149.04556	3.8
149.06058	9.1
159.04526	0.5
161.02423	100.0
162.02734	3.1
165.80927	0.5
175.04068	0.9
177.05533	17.8
179.03471	67.2
180.03822	1.7
189.05638	0.8
191.05672	0.8
203.03477	1.5
207.06686	0.7
221.04515	33.9
222.04840	1.0
233.04482	1.9
233.06522	0.7
251.05568	42.2
252.05972	1.3
281.06622	75.7
282.06949	2.4
323.07675	2.7
341.08698	38.7
342.08929	1.8
399.23792	1.9
411.73645	0.6
531.21936	3.5
531.28644	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	531.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03436	1.1
59.01369	11.5
61.98822	74.4
62.98523	0.9
62.99237	0.7
63.99250	0.6
69.42749	4.1
71.01373	8.7
72.99318	0.5
73.02932	3.3
79.63153	0.5
82.95399	4.6
83.01368	0.7
85.02953	2.7
89.02442	7.0
95.01399	0.5
97.02944	0.4
99.00862	1.9
99.04502	0.5
100.02376	0.5
101.02429	6.2
105.03445	0.7
107.05019	0.7
108.27728	0.5
109.02950	1.7
111.00900	0.6
113.02425	2.3
117.03469	1.2
119.03485	1.0
121.02892	0.5
125.02451	0.6
131.03513	0.7
132.02144	1.9
133.02940	38.6
134.03757	3.1
135.04506	49.9
136.04811	1.2
137.02432	1.9
137.09686	3.3
143.03453	0.7
148.05238	1.4
149.04553	3.0
149.06056	9.4
161.02420	100.0
161.04573	2.7
162.02760	2.9
175.03984	1.1
177.04022	1.0
177.05539	18.8
177.07077	1.1
178.02750	0.8
178.05923	0.5
179.03468	66.5
180.03842	2.2
190.04553	0.5
203.03479	2.1
203.14928	0.4
212.74890	0.5
221.04506	31.8
222.04834	0.8
233.04393	1.3
251.05562	44.5
252.05864	1.6
260.12762	0.4
261.35211	0.4
281.06619	75.5
282.06964	2.7
323.07727	2.2
341.08694	40.6
342.09036	1.8
385.12936	0.5
399.23865	1.4
415.42242	0.5
531.21899	3.9
531.28754	9.5
532.29144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59522	0.3
55.01864	1.3
57.03445	1.6
58.00580	3.2
58.87444	0.3
59.01372	68.1
60.01710	0.5
60.99251	0.3
61.98816	1.0
62.80199	0.2
67.01877	0.9
68.99818	0.6
69.03455	1.6
71.01373	66.8
72.01716	0.8
72.99300	3.9
73.02938	15.7
75.00857	1.0
78.91875	1.2
79.71481	0.3
81.03439	0.7
83.01374	3.6
85.02938	12.1
87.00870	2.5
89.02433	100.0
90.02782	0.9
92.11921	0.3
93.03448	0.7
95.01374	2.5
96.95972	0.4
97.02934	2.4
98.19831	0.6
99.00869	19.9
99.04516	1.0
100.01163	0.4
101.02430	50.5
102.02797	0.5
111.00860	1.4
111.04490	1.1
113.02435	16.5
115.03983	1.9
119.03487	11.0
121.02943	0.3
125.02433	6.3
127.03968	1.3
131.03487	25.5
135.04514	0.6
137.02414	0.9
139.00369	1.2
143.03484	3.5
147.04501	8.3
149.04532	83.2
150.04860	1.3
153.05550	0.8
159.03000	0.5
160.51352	0.3
161.04529	7.9
165.01903	0.5
166.02605	0.4
173.04480	0.5
179.03386	0.4
179.05580	6.0
181.05028	1.8
183.68210	0.3
191.05585	15.8
192.05862	0.4
197.04485	0.4
205.12206	0.3
221.06604	4.7
225.74310	0.3
233.06482	1.5
237.18590	0.3
251.07674	7.9
275.07748	0.7
281.08658	0.6
292.15219	0.3
293.08728	4.7
303.05084	0.4
311.09842	3.0
333.09863	0.6
335.07614	1.0
367.10205	0.8
375.11029	0.4
399.23880	7.0
531.28015	36.5
532.28479	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	531.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31893	0.2
55.01878	1.1
56.99798	0.4
57.03443	1.0
58.00592	3.0
59.01371	63.5
61.43719	0.2
61.98825	0.7
67.01873	0.4
68.99788	0.4
69.03448	1.4
71.01373	60.1
72.01710	0.7
72.99300	4.3
73.02936	15.1
75.00868	1.1
78.15377	0.3
78.91876	1.4
81.03458	0.8
83.01378	2.6
83.05009	0.3
85.02941	10.3
87.00859	2.4
89.02431	100.0
90.02789	1.0
93.03442	0.5
95.01377	1.9
97.02951	2.6
99.00869	23.1
99.04494	0.5
101.02428	47.3
102.02776	0.5
103.70911	0.2
109.02966	0.4
111.00888	1.0
111.04511	0.5
113.02435	15.0
113.10783	0.3
115.03968	1.6
116.53751	0.2
119.02618	0.5
119.03483	9.6
125.02425	6.3
127.03963	0.8
131.03482	23.2
132.03836	0.5
137.02470	0.4
139.00343	0.5
143.03470	3.9
147.04507	7.6
149.04532	88.2
150.04858	1.2
153.05539	0.6
159.02950	0.4
161.04520	6.9
166.02640	0.3
179.03391	0.3
179.03999	0.4
179.05577	5.1
181.04973	0.6
191.05582	16.5
192.05998	0.4
201.34796	0.3
221.06642	5.2
233.06601	1.9
251.07698	9.2
275.07733	0.8
276.12424	0.3
281.08710	0.6
293.08725	4.4
311.09790	3.5
333.09723	0.3
335.07416	0.4
399.23761	3.6
443.01895	0.3
501.33087	0.2
531.27991	33.5
532.28516	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	531.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02579	0.8
59.01377	9.1
60.99299	13.1
61.98824	10.8
62.00098	1.0
67.02467	0.9
70.76009	1.8
70.76379	1.7
87.00867	2.7
88.00386	3.9
88.98795	100.0
89.02430	68.4
89.03253	1.2
94.64091	1.2
139.59587	0.9
167.48409	1.0
277.21664	3.1
471.34775	15.1
472.35159	1.5
473.35352	1.1
531.30237	13.4
531.37592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3167
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
52.13816	0.5
55.01863	1.2
57.03434	2.2
58.00591	0.6
59.01371	19.0
61.98807	2.4
68.99799	0.7
69.03420	0.6
71.01375	17.0
72.99299	4.7
73.02943	1.1
75.00869	16.3
78.32974	0.6
83.01363	0.8
85.02945	19.5
86.41814	0.6
87.00868	5.6
89.02431	4.5
91.03982	0.5
93.03427	0.5
95.01376	4.4
96.96003	1.6
99.00872	8.0
101.02401	0.6
103.00358	2.5
106.39214	0.5
111.00861	0.6
113.02435	28.1
115.00349	1.4
117.01954	2.7
122.33570	0.6
129.01920	0.9
139.00433	0.5
154.27214	0.5
157.01387	0.9
161.48032	0.5
175.02464	2.7
175.25494	0.5
193.03534	0.6
205.07196	1.4
223.08250	0.9
249.06108	4.9
256.74783	0.6
267.07184	6.6
281.24817	60.3
282.25189	3.7
513.30646	2.3
514.30725	0.6
531.31671	100.0
532.31934	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	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01709	0.9
61.98830	0.7
69.47516	2.1
78.95895	3.1
96.96964	1.2
113.60819	0.3
194.97408	0.3
304.98965	0.3
369.22006	0.4
398.39352	0.3
471.35202	0.3
493.23499	0.3
531.26959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01710	0.5
61.98822	0.7
69.16489	0.2
70.75089	0.7
78.95903	1.2
88.24654	0.3
96.96007	2.7
126.52987	0.2
152.99590	0.8
153.23772	0.2
224.07042	0.3
281.98813	0.2
307.26459	2.4
343.73123	0.3
381.29874	0.3
473.36508	0.6
531.32605	0.9
532.34552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08352	0.3
54.29668	0.3
57.83832	0.3
59.01372	100.0
60.01711	0.7
63.86755	0.3
71.01360	0.4
71.07611	0.6
96.96019	0.3
122.02422	0.4
123.04507	0.5
124.03999	0.4
130.08713	7.2
130.50870	0.3
135.04546	0.4
137.04982	0.3
137.06042	2.0
138.05594	2.9
144.70935	0.3
151.04016	0.5
162.21997	0.3
165.05602	0.8
174.09213	1.3
179.07112	23.4
180.07639	0.6
180.10294	7.8
190.12408	0.4
204.13985	0.6
206.11819	4.3
206.13597	0.5
216.10268	0.4
230.11971	0.4
232.13425	0.9
237.47707	0.3
246.11407	0.3
246.14996	0.5
248.12836	4.1
250.10765	1.7
258.11331	0.3
260.12836	0.5
264.16013	1.0
278.13916	7.2
290.13901	3.3
308.15088	1.3
322.12979	1.1
339.91446	0.3
350.16257	0.5
368.17084	0.4
475.45938	0.3
532.21735	3.0
532.68555	0.4
533.22089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36128	0.4
57.03417	0.5
59.01373	100.0
60.01704	1.0
61.98822	3.2
65.03949	0.5
71.01384	0.5
75.00897	0.5
78.25017	0.4
81.03468	1.0
85.02955	0.5
90.20962	0.4
93.03437	0.8
100.78693	0.4
106.04250	1.5
107.05011	0.7
116.07185	5.3
119.05022	2.5
121.06540	0.4
129.26251	0.4
131.40894	0.5
134.09760	0.5
135.04530	0.9
137.06061	28.5
147.04524	1.5
148.04089	0.5
149.06088	0.5
151.04016	0.5
157.05385	0.5
160.04057	1.9
163.07668	0.8
172.11305	1.2
174.05524	2.7
174.09119	0.4
175.06308	0.5
176.07169	1.7
177.05566	1.1
178.05121	1.2
179.07144	0.8
180.10342	0.9
190.12376	1.7
193.05045	0.6
197.11638	0.4
198.09373	0.5
200.10783	3.6
202.12361	0.6
206.08247	1.6
206.11993	0.4
216.06589	0.4
216.10216	1.1
216.13979	0.5
217.11046	3.5
218.11819	4.8
220.13394	0.5
232.13368	12.2
233.13829	0.6
234.11342	1.5
244.09773	1.5
246.11142	0.6
249.13644	1.1
250.14392	3.0
258.11310	5.4
260.12906	0.8
262.10706	0.8
264.16019	1.6
276.12369	6.1
290.13956	2.4
292.15558	1.6
294.13443	5.1
295.08313	0.6
308.14990	16.3
309.15262	0.6
310.21152	0.7
318.13245	2.0
324.18134	0.5
326.16016	1.1
336.14447	2.5
341.10428	0.9
350.16006	10.5
351.16309	0.4
368.17157	4.5
382.16446	1.2
396.17993	2.8
414.19073	4.5
456.19858	0.8
532.21838	29.7
533.22742	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	532.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01824	0.3
57.43707	0.3
59.01371	19.0
61.98821	100.0
71.01387	1.3
73.02934	0.3
73.52731	0.3
78.95924	0.4
85.02957	0.5
99.00871	0.4
101.02451	0.4
113.02475	0.5
161.04626	0.6
166.36572	0.3
315.49951	0.4
383.07065	0.3
383.24438	0.9
409.77792	0.4
468.06384	0.4
487.33264	0.4
509.09509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72009	0.2
56.37605	0.2
59.01372	4.4
61.98822	100.0
65.08725	0.2
71.18877	0.5
83.45164	0.2
120.59418	0.2
154.74742	0.2
160.08836	0.2
245.28603	0.2
291.05664	0.2
316.83356	0.2
472.35364	0.7
486.53244	0.2
532.31451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
60.01706	0.2
61.01810	0.2
61.98824	100.0
69.36985	1.3
77.43082	0.2
97.02380	0.2
98.20667	0.4
212.17584	0.2
311.01376	0.2
356.98593	0.2
406.42609	0.1
472.35211	0.5
532.30792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.8
59.28441	0.5
61.98821	100.0
66.55954	0.5
71.62032	0.5
78.95905	1.3
83.01392	0.7
85.71014	0.4
87.63306	0.6
109.46054	0.5
141.86728	0.4
152.99554	2.4
182.16327	0.4
246.99678	0.5
303.96899	0.5
453.45084	0.5
492.97662	0.5
532.32013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0929
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
56.90664	1.0
57.76706	1.0
59.01372	26.5
61.98814	1.4
63.02392	1.5
69.44862	6.1
69.45269	1.5
70.02978	5.6
71.01361	2.9
80.22024	0.9
80.41898	0.9
83.01366	0.9
85.02933	1.6
87.00852	1.2
88.98800	2.6
89.02418	1.2
99.04498	8.3
107.01382	2.2
113.02422	1.8
114.01951	17.1
118.39083	1.1
123.04484	2.8
131.04564	1.0
132.02333	0.9
133.02945	8.9
134.03705	1.6
135.04521	5.8
137.02335	1.0
143.07071	1.0
147.04507	1.2
148.01610	1.2
149.02335	1.4
151.00357	3.9
153.05519	5.4
161.02426	12.4
164.07156	2.5
173.04562	1.2
175.03969	1.5
176.04756	1.2
177.01906	1.2
178.05055	2.3
179.03481	5.4
179.07100	4.3
183.10217	2.3
199.03972	1.8
199.24918	1.0
201.11279	8.7
206.08202	2.4
211.04010	1.2
221.04485	1.1
241.04897	1.3
249.08763	2.0
256.03735	4.0
281.06653	1.2
283.04883	1.7
284.03210	65.1
285.04001	90.7
286.04352	4.1
323.07626	9.2
327.04843	1.2
371.10968	1.4
447.09088	1.4
489.10312	100.0
490.10709	7.8
533.16541	6.2
533.25964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47524	0.3
59.01377	2.8
61.35898	0.4
61.96421	0.3
69.43554	0.5
69.43959	1.9
71.01369	1.6
73.02951	0.6
75.43788	0.3
75.98529	0.3
78.95897	3.7
79.95734	3.6
85.02940	0.4
86.61478	0.3
89.02442	1.5
93.03436	0.8
96.95998	100.0
96.96883	4.8
99.00871	0.5
99.24564	0.3
101.02406	1.0
101.29341	0.3
102.69470	0.4
111.00850	0.7
111.04502	0.4
113.02435	0.6
121.02958	0.4
139.00342	1.0
149.04526	0.8
160.87125	0.4
161.02434	0.6
173.04547	0.9
191.05807	0.4
238.75287	0.3
307.08307	0.4
315.08578	0.4
405.04993	0.8
532.28577	1.2
533.33575	0.8
554.01117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07991	0.8
55.01847	1.6
57.03427	1.7
59.01372	31.1
61.98811	1.2
67.01880	15.4
68.99812	10.2
69.01035	0.8
69.03451	4.7
71.01379	17.2
71.10527	0.9
72.08624	0.9
72.99288	1.5
73.02939	5.3
78.91856	2.6
78.95886	2.8
79.95705	3.8
81.03448	1.8
83.01357	3.8
83.05029	4.6
85.02935	12.4
87.00851	1.6
89.02435	7.3
93.02849	1.0
93.03442	31.7
95.01381	7.5
96.95998	96.8
96.96886	5.2
97.02898	2.2
97.95912	1.2
99.00854	2.6
99.04456	2.6
101.02433	27.2
106.52071	1.0
107.04967	3.6
109.02851	1.3
111.00869	50.6
111.04503	31.8
113.02435	11.1
117.03442	1.5
119.03490	0.9
119.05033	4.0
121.02921	3.0
123.04456	1.4
125.02391	3.7
125.06025	1.6
127.03999	30.6
131.03452	1.0
132.02113	1.9
133.02942	30.6
134.03676	1.8
135.04506	16.6
137.02426	9.9
137.06009	2.4
139.00362	38.7
139.03938	1.5
143.03453	2.0
145.80931	0.8
149.02321	1.0
149.04594	2.0
149.06068	0.9
153.05553	9.2
153.34418	0.8
155.03436	1.6
161.02423	100.0
161.04520	3.9
162.02699	2.6
163.03978	5.6
165.01941	5.4
171.02939	3.4
173.04434	3.9
177.05464	1.5
179.03467	13.3
181.05020	1.1
183.10202	1.0
195.06522	1.9
207.02881	1.2
213.14871	1.5
221.04320	1.5
229.62961	1.1
233.06628	0.9
239.05553	1.1
281.06384	1.3
303.08676	23.2
304.08704	0.9
305.06653	16.9
321.09567	1.9
337.09250	84.9
338.09613	5.1
345.09738	24.3
346.09711	1.1
357.15240	2.9
363.10791	7.5
383.16827	0.9
391.09979	2.9
401.25278	8.3
433.11124	1.0
465.14069	6.8
533.23364	72.2
533.30249	14.4
534.24078	5.5
534.30975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.86227	0.6
57.03447	3.0
58.00594	0.8
59.01091	1.0
59.01375	14.9
61.98834	0.7
70.30100	1.9
71.01375	26.3
72.99303	1.7
73.02946	1.2
77.27670	0.6
82.98926	0.6
83.01379	1.1
85.02944	26.9
87.00871	1.9
87.45433	0.6
89.02431	9.3
93.03452	0.9
95.01373	7.7
96.96017	2.2
97.02940	0.8
99.00881	0.9
101.02438	4.7
113.02437	52.6
119.03486	2.2
123.04528	3.2
134.03755	1.4
135.04512	33.2
136.04909	0.9
137.02339	0.6
140.33234	0.5
143.03583	0.8
145.93155	0.6
147.29234	0.6
153.05554	2.1
161.02414	1.0
161.04541	5.3
173.04480	0.8
179.03482	1.1
191.05577	2.2
193.05031	0.9
195.35695	0.7
197.08089	0.6
223.06020	1.3
228.25331	0.6
297.09729	1.3
315.10809	3.6
371.11932	1.8
388.08185	0.6
461.16571	100.0
462.16895	6.9
533.14294	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	533.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03440	2.4
58.00578	2.1
59.01373	31.3
65.56083	0.7
69.48067	3.5
69.48497	1.6
71.01374	17.4
72.99305	2.1
73.02919	1.1
78.95895	1.1
83.01366	2.6
85.02935	5.0
87.00867	10.3
89.02433	16.2
95.01353	1.1
96.96011	6.4
98.20592	1.4
98.95588	5.0
99.00869	12.8
101.02434	8.8
108.02140	0.8
111.00860	4.1
112.98798	27.9
113.02442	4.4
114.19205	0.7
115.00351	2.6
119.03516	4.6
123.00854	0.8
123.04558	1.7
124.98820	1.3
129.01918	2.7
136.01646	3.0
142.99850	28.0
143.03467	1.2
144.00063	0.7
145.01448	4.0
145.02480	0.7
146.03699	2.5
148.05261	2.0
151.04004	2.8
159.04480	0.9
160.05275	1.1
161.04597	1.1
161.06015	1.2
163.07617	0.8
173.00897	25.8
174.01698	12.2
175.03952	2.6
176.04738	1.8
179.05641	4.8
188.04768	1.6
191.05553	1.9
191.07047	1.0
193.08780	0.8
200.04834	1.0
203.07150	1.7
204.04237	1.1
215.03445	1.8
216.04279	6.6
219.06569	1.8
228.04391	1.3
231.06657	3.8
232.03751	3.8
243.06526	1.2
247.06117	6.0
256.22852	0.7
291.08624	2.0
307.08218	3.1
351.52686	0.7
520.89941	0.7
533.15063	100.0
534.15320	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	533.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39076	0.3
59.01374	2.8
69.35294	0.3
69.75517	2.0
71.01373	5.1
73.02930	1.2
74.25074	0.4
76.31935	0.3
83.01373	0.7
85.02942	1.6
86.55416	0.4
87.00863	1.4
89.02442	1.2
93.03452	0.8
93.68357	0.4
95.01395	0.4
96.96021	1.8
99.00861	0.6
99.08344	0.3
101.02439	2.5
102.98605	0.5
105.03438	1.2
107.05036	0.7
109.02940	0.8
111.00902	0.4
111.04463	0.5
113.02425	2.0
117.03442	1.2
119.04982	0.5
120.99614	0.6
121.02932	1.0
125.02496	0.4
132.02153	1.0
133.02942	33.8
134.03777	4.2
135.04510	39.5
136.04837	1.2
137.02396	2.5
145.02945	0.6
147.04510	1.2
148.05220	0.4
149.06023	1.8
151.03970	2.0
153.01845	0.4
155.03441	0.6
159.04488	0.6
160.01694	0.8
161.02426	100.0
162.02791	3.2
163.04001	0.8
165.05540	0.4
173.04533	1.3
175.03998	2.2
176.04761	4.9
177.01909	1.0
177.05545	4.2
178.02713	1.0
179.03476	39.7
180.03981	2.1
189.05487	0.5
191.05566	0.6
191.07037	1.8
193.05042	0.4
194.05815	15.4
194.07584	0.8
195.06602	1.9
201.05403	0.4
203.03491	1.3
209.08168	9.3
211.68442	0.3
220.03673	0.7
221.04498	5.6
233.04543	1.1
245.04442	0.6
251.05466	1.1
263.05527	1.8
280.05801	0.9
283.04910	0.8
292.70554	0.4
307.08325	0.6
323.07666	70.3
324.08014	3.7
337.09131	0.8
371.20709	0.9
533.16650	46.3
534.17017	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	533.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28961	0.4
59.01371	0.5
62.83541	0.4
69.43211	3.2
71.69386	0.5
93.03404	0.6
98.20676	1.0
98.90625	0.4
106.04215	0.5
107.05017	1.0
117.01851	0.5
117.03271	0.5
121.02945	0.9
121.38275	0.5
133.02953	5.1
134.03729	12.2
135.04512	33.0
136.04788	0.9
137.02446	3.8
139.03984	1.3
149.06052	0.8
161.02472	1.0
167.03546	0.5
178.02641	0.9
179.03473	43.8
180.03748	1.1
191.05579	0.5
193.04994	2.2
200.04826	1.0
200.07974	0.4
202.46739	0.5
211.02072	0.9
211.03963	9.0
213.05579	1.5
227.03345	1.1
228.04276	2.4
229.04977	5.4
239.03452	11.7
240.04085	1.7
243.06688	0.8
256.03644	3.6
257.04495	20.0
257.77142	0.5
258.04837	0.7
271.06073	11.5
272.06848	25.0
273.07141	1.0
286.08450	8.1
287.09201	100.0
288.09570	4.7
307.25815	0.5
321.11493	0.4
327.12296	0.6
341.08514	0.7
362.91025	0.6
371.11279	49.2
372.11621	3.5
386.03854	0.5
439.20285	0.5
449.14465	5.0
533.16528	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	533.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
67.00397	0.2
69.03452	0.4
70.72117	0.5
70.72459	0.3
71.01373	0.6
73.02960	0.3
83.05017	0.2
85.02936	7.7
87.00849	1.5
89.43298	0.3
91.17197	0.2
93.03460	2.3
104.44724	0.2
105.98849	0.2
109.02920	0.6
111.04501	0.7
117.01957	0.3
127.03975	2.2
133.02997	0.3
161.02411	0.7
171.02975	0.7
173.04543	1.2
191.05576	100.0
192.05937	2.4
236.63144	0.3
341.08792	0.5
349.08154	0.2
350.26273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03406	0.2
59.01376	2.0
67.01890	0.3
69.03441	0.4
70.49282	0.2
70.52772	0.4
71.01371	1.4
73.02946	0.3
81.03460	0.5
83.05014	0.4
85.02946	7.9
87.00864	2.3
89.02440	0.6
89.27734	0.2
93.03443	2.7
96.96948	0.3
99.00862	0.7
99.04510	0.3
101.02436	0.5
109.02947	0.6
111.00880	0.3
111.04502	1.0
112.98791	0.4
113.02448	0.4
119.03496	0.3
127.04008	1.9
129.01941	0.4
131.86185	0.2
135.04539	0.4
137.02428	0.3
137.90486	0.2
142.99884	0.6
149.06110	0.3
171.02972	0.7
173.00929	0.3
173.04587	1.3
174.01561	0.2
191.05598	100.0
192.05994	2.4
223.06160	0.3
389.99036	0.2
461.16583	0.6
533.14948	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42380	0.3
55.01867	0.5
57.03419	1.2
57.73402	0.3
58.00596	2.3
59.01373	45.9
59.62266	0.4
60.99290	0.9
61.98811	1.2
67.01885	3.6
68.99816	1.1
69.03448	1.8
71.01374	33.8
72.99310	2.7
73.02930	1.4
75.00855	1.6
75.24744	0.4
81.03450	0.5
83.01372	1.5
83.05004	1.0
85.02943	7.1
87.00862	4.9
89.02433	49.3
93.03449	26.6
95.01371	2.8
96.95986	1.0
97.02901	0.6
99.00858	0.6
99.04536	0.5
101.02431	15.6
105.01908	2.9
107.05012	0.6
108.02151	0.4
109.02934	1.0
109.06560	1.9
111.00873	1.1
111.04510	5.2
113.02440	11.8
117.03405	0.6
119.02627	0.7
119.03487	14.1
123.04497	0.9
125.02424	0.9
127.03976	0.8
129.01965	0.4
131.03482	2.2
133.02914	0.6
134.03732	0.7
134.38301	0.5
135.04514	3.1
135.08148	7.0
136.01662	0.5
137.02432	3.9
137.06160	0.4
143.03471	3.6
149.04517	1.6
151.03947	0.8
153.09193	27.0
154.09567	0.7
155.03481	5.1
158.97594	0.4
161.02388	1.3
161.04521	3.7
165.05438	0.4
173.04532	100.0
174.04903	2.0
179.03625	1.9
179.05589	8.4
179.07114	1.0
188.72673	0.4
191.05592	7.5
192.05885	0.5
193.04974	0.7
197.08173	35.1
198.08566	1.2
205.01398	0.6
215.05585	0.5
219.03065	0.5
223.06111	0.7
225.07666	2.5
341.06638	1.6
353.08859	0.6
359.13477	9.9
371.13568	2.2
385.18747	1.3
455.52957	0.4
473.16702	1.7
491.17673	0.9
533.18842	18.0
534.18817	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	533.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94210	0.3
59.01373	3.6
61.98810	0.7
69.60277	2.4
71.01382	2.1
84.95096	0.8
85.02940	1.1
87.00872	0.6
89.02431	2.7
89.99777	0.3
93.03443	2.3
95.05002	0.6
96.95980	0.6
101.02425	1.1
105.01926	0.7
108.02174	1.2
111.04468	0.5
113.02436	0.9
119.03515	0.8
121.02921	0.5
123.04509	2.0
129.01938	0.5
133.02940	1.5
134.03743	3.5
135.04517	7.6
136.05305	0.5
137.02432	1.0
139.03969	0.5
147.04512	0.9
148.05333	0.8
149.02394	1.3
149.06065	100.0
150.03227	0.4
150.06409	2.7
153.09167	0.6
160.01662	0.8
161.02403	1.1
161.04474	0.5
164.04781	15.3
165.05307	0.6
165.07610	0.4
167.03429	1.9
173.04529	2.0
175.00365	1.1
175.04007	1.1
178.02554	0.4
179.02034	0.3
179.03510	8.3
179.07109	20.0
180.07468	0.6
185.24734	0.3
190.02711	4.1
191.05614	2.1
193.05057	1.5
195.02881	0.6
205.05049	4.4
206.14680	0.4
211.04001	1.7
223.06041	2.2
229.04965	0.6
239.03517	1.5
240.04137	0.5
257.04501	3.5
265.07175	0.8
271.05969	1.9
272.06857	3.8
286.08466	1.2
287.09201	15.2
288.09555	0.7
293.08560	0.5
311.11319	29.1
312.11691	1.6
323.07797	0.8
337.09454	0.6
359.17218	0.7
371.11243	7.7
372.12000	0.4
449.14584	1.0
533.18658	9.6
533.26477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2018
Annotation	3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01875	0.3
57.03440	0.4
59.01371	1.3
67.01858	0.1
68.99800	0.2
69.03439	0.6
69.43247	0.7
71.01375	8.0
72.99302	0.2
73.02527	0.1
73.02937	2.2
74.79731	0.1
81.03437	0.1
83.01376	1.0
84.02165	0.2
85.02942	3.7
87.00871	0.3
91.05524	0.1
93.03447	5.5
95.01378	0.7
97.02988	0.2
98.20603	0.2
99.00871	1.2
101.02428	3.6
102.02734	0.1
105.24531	0.1
107.05010	0.3
108.02179	0.3
109.02965	0.9
111.00862	0.1
113.02435	3.6
117.03434	0.6
119.05032	0.2
121.02940	60.6
122.03843	2.4
123.00870	0.3
123.04510	0.3
124.01640	0.2
125.02415	0.3
129.01932	0.1
133.02954	0.7
134.03729	0.7
135.04509	4.2
136.01633	2.7
136.04985	0.1
137.02455	0.9
143.03487	0.3
145.02939	0.4
146.03691	0.2
147.04512	0.6
149.02411	0.2
149.06058	0.4
151.03976	3.4
152.04298	0.1
152.11476	0.1
154.02707	0.5
159.02956	0.9
159.04498	0.3
160.05263	0.3
161.02495	1.2
161.04543	3.7
161.06013	0.4
162.03183	1.2
163.02695	0.2
163.03992	2.3
163.05350	0.1
164.04785	0.7
165.05539	0.2
173.06085	0.1
175.03998	0.7
175.07683	0.1
177.05524	1.2
179.03484	0.6
179.07123	0.1
187.03905	0.2
189.05583	0.2
190.06348	0.4
191.07068	0.1
193.05043	0.2
204.04288	0.2
205.03366	0.1
205.05078	0.1
207.06642	0.1
240.04138	0.1
255.06517	0.6
256.07162	0.4
260.50510	0.1
266.05920	0.1
271.09720	0.1
273.98083	0.1
281.08231	0.4
296.07037	0.2
296.10361	0.2
298.08350	0.1
308.06738	0.1
311.09174	0.2
323.09445	0.1
326.07895	0.4
326.11526	0.2
341.10132	0.4
341.13858	0.1
356.12576	76.5
357.12936	4.9
371.14917	100.0
372.15240	6.6
533.22772	0.4
533.30188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48190	0.3
55.01868	0.3
57.03439	0.4
59.01375	2.5
61.98826	5.7
63.99235	1.2
69.47764	0.2
69.65392	1.2
71.01368	2.7
71.83392	0.2
73.02945	0.5
78.91888	0.4
79.95738	0.2
83.01365	0.3
85.02937	1.4
85.18589	0.3
87.69498	0.2
89.02438	0.9
93.03460	0.5
95.01378	0.3
96.95996	3.4
99.00864	0.4
101.02441	1.2
105.03461	0.6
111.00850	0.3
113.02468	0.7
117.03465	1.6
123.04463	0.3
132.02130	1.3
133.02946	31.4
134.03807	1.6
135.04506	8.9
136.04878	0.4
137.02448	0.6
145.02934	0.6
149.06097	0.4
153.09192	0.5
156.93903	0.2
161.02425	100.0
162.02766	2.9
175.03914	0.3
177.05495	1.2
179.03487	6.9
193.05013	0.7
197.08101	0.5
221.04469	1.5
251.05536	1.1
269.87793	0.2
281.06570	1.7
310.33466	0.3
311.09171	0.2
341.08908	0.2
343.91953	0.2
369.79147	0.3
371.14853	0.5
390.12036	0.2
533.23828	78.9
534.24213	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	533.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82500	1.0
55.01856	1.4
57.03422	2.5
59.01371	77.2
60.01700	2.3
61.98809	4.7
69.03476	0.9
70.38758	1.1
71.01372	43.0
72.06898	0.9
72.99309	1.7
73.02953	5.7
74.97614	1.1
79.05514	1.1
80.02670	15.9
81.03445	1.3
83.01355	4.6
85.02942	10.0
87.00893	2.1
89.02429	49.8
91.62360	1.1
93.03447	1.5
95.01372	3.5
98.20626	3.8
99.00869	2.8
99.04498	3.0
101.02427	32.0
112.50799	1.0
112.98559	1.5
113.02432	20.1
119.03498	16.6
119.05000	25.0
120.05801	2.2
121.06566	4.2
125.02409	1.2
131.03459	6.2
137.06064	3.9
143.03394	3.1
149.04526	26.4
159.03004	1.2
161.04552	9.5
179.05576	5.9
179.07080	3.0
180.10313	1.5
189.12825	51.1
190.13168	2.2
191.05605	2.6
207.13838	9.6
207.48799	1.2
221.15434	1.5
231.13866	2.2
233.11780	18.3
251.12839	12.2
252.13142	1.3
254.53606	1.3
259.11261	1.1
260.21100	1.1
279.14227	1.4
299.11322	12.7
339.60782	1.1
343.48682	1.2
349.15411	1.3
355.21112	11.4
487.25424	25.3
488.25577	2.0
505.89771	1.3
533.23816	100.0
534.24146	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	533.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53511	1.1
59.01372	100.0
60.01682	1.6
61.98824	10.5
65.16462	1.2
68.99547	1.5
71.01375	24.0
71.61387	1.2
71.61811	2.0
73.02936	15.0
80.91651	3.6
83.01363	4.9
85.02944	7.2
87.00851	1.7
89.02438	13.0
95.01356	1.7
96.95995	11.3
97.02943	2.4
99.00851	1.6
101.02432	17.7
112.98628	2.0
113.02440	7.3
117.03431	2.9
119.03464	4.1
119.05016	6.4
123.04476	1.4
131.03526	1.8
133.02919	2.8
135.04495	3.1
145.02928	8.8
149.04561	2.4
151.69824	1.5
159.11736	2.5
161.02440	7.8
161.04524	4.0
163.04002	8.0
173.04422	1.4
179.03462	3.4
181.12331	2.8
203.10744	3.7
225.11255	9.3
236.53639	1.3
247.09673	3.7
257.07443	1.5
267.19525	2.5
283.17020	1.3
291.12421	1.6
305.16443	1.9
311.12762	1.3
322.07751	1.3
327.15665	2.5
371.15076	2.3
371.65060	1.2
372.15582	1.8
387.16403	4.7
429.24643	2.8
447.25827	4.4
471.25482	1.7
473.23782	2.6
489.26971	96.9
490.27005	8.4
515.99591	1.3
533.24072	4.1
534.24097	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	533.3842
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
50.22137	0.5
53.08267	0.4
53.47073	0.5
59.01372	100.0
59.41440	0.4
60.01708	0.8
61.98822	4.8
71.32645	0.8
87.82291	0.4
112.73665	0.4
117.03475	1.3
119.05038	1.0
145.02930	6.0
192.92073	0.4
206.73853	0.5
275.94351	0.5
353.80069	0.5
365.26859	0.8
423.32913	1.4
425.34357	1.5
441.26392	0.9
455.31558	1.4
458.91055	0.5
459.27667	1.3
469.33096	0.7
473.36343	11.0
474.36612	0.8
491.37653	1.1
533.31317	4.1
533.38776	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3838
Annotation	Concentricol D
Peak:m/z	Relative Intensity
54.29453	0.2
58.26555	0.3
59.01373	100.0
60.01713	0.7
61.98828	1.6
71.61345	0.5
74.39152	0.3
92.77017	0.3
94.66453	0.3
100.14906	0.3
147.79355	0.3
161.02548	0.3
186.75310	0.3
200.30795	0.3
235.17050	0.6
236.97781	0.3
260.81635	0.3
299.59476	0.3
427.32211	0.3
430.47357	0.3
443.35452	2.0
473.36380	4.0
474.36771	0.3
533.38745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.384
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
53.54409	0.4
59.01371	100.0
60.01720	0.5
61.98822	7.1
67.75761	0.4
70.94381	0.7
108.02178	0.5
109.02967	0.6
109.70608	0.4
151.24593	0.4
161.65961	0.4
271.59982	0.4
290.97684	0.4
435.32785	0.5
440.23050	0.4
440.29120	0.8
441.29950	2.3
471.34711	8.3
472.35168	0.7
473.36307	29.4
474.36353	3.1
533.38324	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3839
Annotation	Concentricol D
Peak:m/z	Relative Intensity
50.99727	0.3
51.08588	0.3
59.01372	100.0
59.84394	0.3
60.01713	0.8
61.98824	1.9
64.45085	0.3
65.28997	0.3
67.02056	0.3
71.32279	0.5
79.01647	0.3
99.59053	0.3
200.78638	0.3
205.15836	0.4
217.00388	0.4
274.24316	0.3
341.89630	0.4
351.33124	0.3
398.57013	0.3
443.35406	1.4
455.31326	0.5
473.36523	1.1
533.30823	0.6
533.38824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.04023	0.3
60.01698	0.7
60.33619	0.3
60.99304	1.0
61.98823	2.6
67.01878	0.6
68.99809	0.3
71.01376	1.6
71.62904	0.4
72.24570	0.3
74.02459	0.5
81.03470	0.8
84.95107	0.4
89.02462	0.8
92.65674	0.4
93.03465	1.0
96.96002	7.5
99.04494	0.4
101.02437	0.9
105.15515	0.3
107.05011	0.4
108.04552	0.4
111.00851	1.0
111.04540	0.6
113.02415	0.6
116.05072	0.4
116.07148	0.7
118.05099	0.4
119.05030	1.1
119.98370	0.3
121.02965	0.4
122.03756	0.4
123.04519	1.7
124.04048	0.6
127.04001	0.5
133.02959	0.8
134.03801	0.8
135.04518	1.5
136.01683	0.4
137.02438	0.6
137.06078	4.6
138.05574	0.7
139.00327	0.5
140.07210	0.4
147.04472	0.5
148.04045	0.4
149.06081	0.8
150.05623	0.4
151.03947	1.0
153.05551	1.2
157.05292	0.5
158.06078	0.5
160.04076	0.6
160.07643	1.1
161.02386	1.4
161.04695	0.9
161.06038	0.8
162.02827	0.7
163.04015	0.5
163.07811	0.4
166.08739	6.5
172.07652	0.6
173.04546	0.7
174.05580	1.0
174.09174	0.8
175.06360	0.7
176.07112	2.0
176.10747	0.6
177.05539	2.7
178.04979	0.7
179.03467	0.9
179.07120	0.7
184.07631	1.7
185.11772	0.5
186.05602	0.9
188.07130	0.5
190.08722	2.2
190.12341	0.6
192.06616	0.5
192.10329	2.0
193.05023	0.6
193.08638	1.4
194.32841	0.3
195.06606	30.3
196.06949	0.8
200.07224	0.5
201.07896	1.8
202.08698	1.4
204.06642	0.5
207.06856	0.3
208.09734	0.8
209.04483	2.2
216.06738	2.9
216.10249	7.7
217.10548	0.4
218.08183	1.4
218.11894	1.0
220.09816	0.7
221.04408	0.6
222.11249	0.4
232.13242	0.5
233.06931	0.5
234.07727	1.9
234.11179	1.7
236.09227	0.7
244.09886	0.5
246.11342	0.6
248.09091	0.4
248.12900	5.7
250.14436	0.7
252.08733	1.0
252.12224	0.6
260.09167	0.5
264.12317	2.5
266.10236	2.1
276.08887	0.6
276.12329	0.9
278.10373	0.6
279.21561	0.4
283.07382	0.3
292.11865	15.3
293.12076	0.7
294.09753	0.7
294.13370	0.6
308.11383	6.2
308.14755	0.4
310.09192	1.1
310.12881	2.1
326.12296	2.3
331.51678	0.4
337.09152	0.6
338.09296	0.5
352.13998	5.4
370.14999	0.5
372.14249	1.1
398.15930	0.5
430.18320	0.4
432.16016	0.5
447.97369	0.4
474.17709	0.5
490.17099	7.6
491.17416	0.5
505.56259	0.4
534.19635	17.4
534.28094	1.0
535.19824	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	534.343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22187	0.5
59.01371	1.0
61.98824	100.0
71.09518	1.0
78.95896	3.2
96.96992	0.6
109.27827	0.5
129.98267	0.5
152.99557	5.8
160.83929	0.6
178.78542	0.5
393.19321	0.8
471.34888	0.7
472.35138	1.0
534.29138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1451
Annotation	Vaccinoside
Peak:m/z	Relative Intensity
58.00616	0.5
59.01088	0.8
59.01374	12.5
61.98839	0.6
67.01884	0.7
69.03450	18.0
69.30796	3.6
71.01381	2.7
81.76490	0.4
82.64758	0.4
85.02976	0.9
89.02456	2.3
95.05020	5.0
98.31364	0.4
101.02436	1.6
106.04245	2.1
111.00887	0.6
113.02431	2.8
115.00351	1.4
117.03453	15.9
119.03567	0.8
119.05013	13.9
121.02948	3.4
121.06575	10.1
122.02443	0.6
123.04498	1.8
131.05006	0.5
132.05806	0.5
133.06569	3.8
137.05989	0.4
139.00375	3.5
139.07654	3.4
144.04535	1.8
145.02939	100.0
146.03299	3.1
158.06136	0.6
160.04027	0.7
161.06058	8.0
163.03996	15.7
164.04335	0.5
165.05586	3.7
170.04608	0.5
173.04536	0.9
176.05733	0.5
176.07104	2.4
177.05515	3.2
183.06584	1.7
187.04164	0.5
188.03510	1.5
189.04242	0.6
202.05022	2.4
203.05762	2.4
204.03053	1.1
204.06586	2.6
205.05034	9.9
206.05365	0.5
208.09723	3.0
209.04561	4.7
220.06111	7.1
233.99734	0.4
234.07678	13.2
235.06053	4.2
265.07144	9.6
291.06631	0.5
307.08194	2.9
318.77621	0.5
325.09195	2.0
340.11795	1.3
345.11868	4.3
372.14490	13.5
389.10706	3.6
393.83295	0.5
408.83047	0.4
491.15521	11.7
492.20239	1.3
520.25415	0.5
535.14453	19.4
536.14728	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57854	0.3
59.01374	14.2
61.98821	1.3
65.03966	0.4
67.01871	0.6
69.03449	19.0
69.26884	2.0
69.27296	0.9
70.03810	0.4
71.01369	4.2
72.99294	0.5
73.02921	0.7
83.01397	0.3
85.02940	1.3
87.00877	0.6
89.02441	3.2
93.03438	1.1
93.07084	0.4
95.01384	0.8
95.05021	4.2
97.00772	0.3
99.00902	0.5
101.02430	2.5
106.04211	2.1
111.00879	0.6
111.08112	0.4
113.02441	2.8
117.03456	18.4
119.03492	1.0
119.05016	15.3
119.05874	0.8
121.02954	5.6
121.06579	11.3
122.06914	0.5
123.04510	3.2
131.05098	0.4
132.05832	0.9
133.02930	0.7
133.06592	4.1
134.03751	0.4
135.04520	0.4
136.25906	0.3
137.06049	0.4
139.00368	4.0
139.03986	0.4
139.07651	3.2
145.02937	100.0
146.03281	2.9
147.04431	0.5
149.02411	0.7
149.04530	0.4
149.06013	0.5
150.03172	0.3
152.01166	0.3
159.04517	0.6
160.01591	0.4
160.03976	0.3
161.02428	1.1
161.06058	9.9
162.03180	0.5
163.03990	17.2
164.04329	0.5
165.05540	4.2
167.03484	2.3
173.04573	0.3
175.03909	0.4
177.05568	4.1
179.03351	0.4
183.06592	1.9
187.04083	0.9
191.05608	0.4
192.06548	0.6
193.04974	0.5
205.05016	11.1
206.05409	0.5
209.04532	6.4
235.06067	6.3
258.99640	0.4
265.07135	12.8
266.07526	0.6
296.12869	0.4
301.70911	0.3
307.08191	2.8
308.08820	0.3
316.78314	0.3
325.09360	2.3
345.11890	4.6
389.10895	4.4
447.16647	0.5
453.61227	0.5
491.15540	11.6
492.15970	1.0
517.12872	0.8
535.14606	19.7
535.21899	3.6
535.31354	3.4
536.14587	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	535.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60934	0.5
58.23453	0.5
59.01368	1.5
69.72867	1.1
69.73284	2.0
71.01369	1.2
73.02930	0.6
78.95883	0.8
85.02953	6.3
87.00865	1.1
93.03442	3.4
94.22202	0.5
96.95994	0.6
99.04501	0.5
109.02948	0.9
111.04496	0.8
113.02402	0.8
127.03982	2.2
135.04506	1.5
153.01932	0.6
161.02434	1.4
173.04546	1.7
179.03493	1.5
179.63496	0.5
191.05597	100.0
192.05896	3.2
193.06076	1.2
267.58087	0.5
339.37598	0.5
353.08539	10.0
535.15820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.3
59.01374	51.3
67.01871	1.7
69.03448	81.1
71.01369	13.2
72.99285	2.2
73.02940	14.9
80.12992	1.0
83.01409	1.4
83.05039	0.8
85.02954	6.5
85.32069	0.9
86.00101	1.6
87.00861	5.5
87.04488	3.1
89.02436	8.0
93.07063	2.0
95.05015	18.3
97.02911	1.0
100.51086	0.9
101.02436	13.2
103.03985	5.7
106.04245	5.4
106.97388	0.9
111.00852	1.3
112.81658	0.8
113.02433	4.4
115.04032	4.4
119.03456	2.1
121.02943	7.6
121.06583	32.1
123.04508	4.2
125.02447	1.6
131.03493	7.4
139.00357	10.4
139.04019	1.5
139.07643	3.5
143.03497	9.3
145.05009	2.5
149.04526	1.1
161.60858	0.9
163.06108	10.5
165.05544	9.8
179.05659	1.0
183.06622	4.8
205.07098	10.3
209.04523	20.7
210.04826	1.1
211.54910	1.1
223.05989	1.1
246.65788	1.0
265.09204	1.4
431.94516	1.0
491.17661	38.5
492.17801	2.2
535.16602	100.0
536.17163	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	535.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.5
59.01374	53.1
67.01891	9.4
68.99809	6.6
69.03441	11.9
71.00988	2.3
71.01369	37.9
73.02943	15.3
79.81507	1.1
81.03447	1.1
85.02914	4.4
87.00896	1.3
89.02435	100.0
93.03422	3.5
95.05013	31.6
97.02935	1.4
99.00865	35.4
99.04506	1.9
101.01768	2.2
101.02432	40.7
111.00877	14.9
111.04473	1.4
113.02441	6.0
119.03487	2.1
119.04981	1.6
121.02943	61.2
121.06551	3.8
123.04507	18.0
125.02405	5.2
127.03140	1.9
127.04000	21.6
131.03503	17.5
135.04535	2.1
137.06061	1.8
137.75510	1.3
139.00386	8.4
139.03960	1.6
143.03468	2.6
147.04471	1.4
149.02519	2.1
149.04535	85.4
155.10744	2.2
157.14806	1.2
161.02443	5.8
161.04503	4.8
165.05518	9.8
173.04483	5.1
179.07155	1.2
181.05130	2.5
191.03882	2.0
191.05574	19.9
221.06604	8.9
223.06058	6.9
233.06625	1.5
251.07607	9.9
253.24762	1.3
281.08377	1.3
293.08746	4.8
311.09741	5.1
324.47485	1.2
373.12952	1.3
413.74011	1.3
473.14413	1.9
503.14011	24.9
504.15179	1.4
535.16528	62.9
536.16974	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	535.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.3
59.01374	51.3
67.01871	1.7
69.03448	81.1
71.01369	13.2
72.99285	2.2
73.02940	14.9
80.12992	1.0
83.01409	1.4
83.05039	0.8
85.02954	6.5
85.32069	0.9
86.00101	1.6
87.00861	5.5
87.04488	3.1
89.02436	8.0
93.07063	2.0
95.05015	18.3
97.02911	1.0
100.51086	0.9
101.02436	13.2
103.03985	5.7
106.04245	5.4
106.97388	0.9
111.00852	1.3
112.81658	0.8
113.02433	4.4
115.04032	4.4
119.03456	2.1
121.02943	7.6
121.06583	32.1
123.04508	4.2
125.02447	1.6
131.03493	7.4
139.00357	10.4
139.04019	1.5
139.07643	3.5
143.03497	9.3
145.05009	2.5
149.04526	1.1
161.60858	0.9
163.06108	10.5
165.05544	9.8
179.05659	1.0
183.06622	4.8
205.07098	10.3
209.04523	20.7
210.04826	1.1
211.54910	1.1
223.05989	1.1
246.65788	1.0
265.09204	1.4
431.94516	1.0
491.17661	38.5
492.17801	2.2
535.16602	100.0
536.17163	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	535.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03436	0.9
58.00581	3.4
58.82521	0.7
59.01372	94.2
67.15349	0.8
69.25826	6.1
69.26231	1.3
71.01374	55.9
71.52088	0.7
72.99303	4.4
73.02952	1.3
82.89870	0.7
83.01375	2.0
85.02943	10.5
87.00850	5.2
87.42982	0.8
89.02433	100.0
90.02764	1.4
92.94043	0.7
95.01380	3.2
96.48975	0.7
101.02434	29.3
108.02177	1.6
109.02921	2.2
113.02440	22.7
119.03489	37.0
123.00817	1.4
123.04498	1.5
125.02417	1.4
131.03474	4.1
135.04434	0.8
136.01642	11.7
143.03476	7.0
145.03001	0.9
146.03738	2.0
149.04533	4.8
150.03207	0.8
151.03990	13.3
153.05505	1.0
159.04477	2.3
160.01683	0.9
160.05246	5.2
161.02443	1.4
161.04520	9.3
163.03976	1.5
166.02655	1.2
174.03159	1.0
175.04001	1.3
175.07632	2.1
179.05591	26.6
181.05028	2.5
181.08691	2.7
186.03192	1.1
187.03987	3.9
188.04756	5.8
193.05034	1.4
195.23065	0.8
201.05682	0.7
203.07109	1.6
209.06097	1.8
219.06680	0.9
221.06055	2.0
223.07765	1.0
233.05992	1.3
237.05559	9.5
238.06097	0.8
248.04732	1.7
249.05537	7.9
250.06320	5.9
251.06920	1.4
252.07930	5.2
261.05441	3.5
263.07141	2.3
264.07898	12.1
265.05038	13.5
265.08524	4.6
266.05566	1.6
267.06580	1.1
276.07822	1.7
277.05032	3.1
277.08118	0.9
278.05533	1.0
279.06601	4.5
280.07367	21.5
281.07977	2.4
291.06711	1.0
292.07419	2.2
293.07986	1.0
294.08978	3.2
295.06378	1.4
295.09689	21.6
296.10236	2.0
306.08972	1.0
307.06223	1.6
307.09763	4.0
309.07703	2.0
309.11215	1.0
310.08414	4.0
322.08548	1.1
324.10028	1.2
325.10773	9.8
337.10742	1.5
343.11792	2.8
355.11823	61.6
356.12180	3.2
373.12802	4.8
535.18384	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	535.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26727	0.5
56.87358	0.6
59.01376	2.7
70.60997	0.7
70.61329	1.0
70.78325	0.5
71.01385	1.6
89.02428	0.9
93.03497	1.1
108.02171	3.7
109.02944	7.0
111.00883	2.3
113.02456	0.8
119.05059	0.5
120.02141	1.3
121.02944	2.2
122.03728	1.7
123.00894	2.4
123.04491	3.0
124.01661	1.7
133.02942	1.5
134.03719	8.4
135.04472	1.8
136.01656	4.9
137.02390	2.0
145.02953	2.6
146.03706	6.7
147.04506	1.8
148.01636	18.0
149.02441	5.5
149.06055	6.5
150.03192	6.0
150.63782	0.6
151.03996	7.3
153.05556	14.8
159.04524	1.3
161.02452	6.0
161.04593	0.6
161.06041	2.5
162.03198	5.2
163.03986	44.0
164.01118	0.9
164.04779	7.2
165.01888	0.9
165.05548	4.7
166.02687	3.5
173.02419	1.2
173.04565	0.7
174.03156	1.6
175.04021	1.3
177.01888	3.4
177.05511	3.6
178.02684	2.3
179.03560	1.3
179.07129	7.8
180.04155	0.8
181.05038	15.8
187.09744	1.8
191.03520	1.8
192.04279	4.0
193.05029	16.2
193.62607	0.7
194.02161	1.3
207.06581	5.8
211.06085	13.0
212.06517	0.9
219.06735	1.0
251.07182	0.8
253.05025	0.9
254.05814	15.6
255.06491	5.6
266.05862	1.3
267.06583	1.0
268.07355	2.6
269.08145	35.0
270.08853	8.6
271.09555	1.2
280.07520	0.8
281.08170	2.1
282.08926	1.5
283.06378	1.3
283.09695	4.0
284.10480	8.7
285.11237	5.2
295.06061	1.5
297.07608	1.0
298.08362	8.4
299.09000	1.3
304.42020	0.6
310.08298	3.5
313.10760	28.8
314.11151	1.2
325.10846	2.0
328.09439	7.2
340.09525	1.0
343.11798	82.9
344.12128	6.4
355.11844	1.1
358.10269	1.2
373.12848	100.0
374.13269	7.0
416.95261	0.7
535.18097	8.7
536.18817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1817
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
52.73992	0.7
54.07663	0.6
59.01377	3.6
61.98809	1.6
67.01857	2.0
69.78442	3.7
71.01381	3.1
75.00851	2.7
85.02940	1.8
87.00877	0.7
88.98822	0.9
89.02426	2.9
93.03445	3.7
95.01362	0.8
99.00837	0.8
101.02435	1.5
108.02160	4.5
109.02954	6.6
111.00870	2.3
113.02422	1.4
121.02930	6.4
123.00868	8.9
123.04476	3.5
124.01646	5.5
132.04543	1.5
133.02930	7.7
134.03752	6.3
134.06076	1.0
135.04533	8.7
136.01633	7.3
137.02429	2.2
137.09740	0.9
145.02872	1.0
147.04498	6.7
148.05292	1.1
149.04623	0.8
149.06055	3.5
150.03224	0.8
151.03983	9.7
155.10759	2.2
159.04475	2.2
160.05257	1.0
161.02425	26.2
162.06828	1.5
163.03944	3.3
165.05522	1.5
173.02441	2.0
173.04550	9.1
174.03198	2.1
175.03957	1.9
176.04768	0.6
177.05574	2.3
178.02658	1.2
179.03502	6.6
181.37823	0.6
185.02271	0.8
186.03252	0.8
188.04799	8.0
189.05505	2.4
191.05566	1.4
193.04953	3.1
199.09726	2.3
203.03447	0.9
213.36850	0.6
221.04488	1.5
241.05028	1.3
242.05751	1.6
256.07324	0.9
257.08209	4.2
267.06424	0.9
278.05853	0.8
283.05939	0.8
287.09250	1.4
288.09500	2.4
289.09915	1.7
298.08426	17.0
299.08673	0.7
307.07822	0.8
310.08563	3.5
313.10764	52.2
314.11194	2.2
323.07645	11.7
325.10742	3.5
327.12418	1.6
343.08041	0.9
343.11765	5.3
355.11993	1.1
358.10593	3.9
359.10138	1.1
371.67154	0.6
373.12854	100.0
374.13159	7.4
385.13074	0.8
419.13275	0.9
473.14929	1.1
475.12018	2.3
475.18033	1.3
503.16772	2.3
517.13336	2.3
535.13885	14.8
535.21680	0.8
536.13678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78722	0.8
59.01373	4.4
61.98816	2.6
67.01891	1.0
68.49593	0.8
71.01363	2.5
73.02957	0.9
75.00866	1.0
80.71794	0.7
87.00858	1.2
87.04539	0.8
89.02409	1.2
93.03452	2.8
96.95989	1.3
100.48931	0.8
101.02435	1.5
108.02169	3.9
109.02945	24.7
111.00876	2.7
113.02474	0.8
117.03451	1.0
119.03500	0.9
119.04998	1.5
121.02914	3.0
122.03718	1.1
123.00906	5.7
123.04499	5.9
124.01628	3.5
130.99734	0.8
133.02924	2.1
134.03688	3.3
135.04488	3.1
136.01653	11.9
137.02379	1.5
145.02966	1.9
146.03735	3.1
147.04507	2.9
148.01643	5.0
149.02467	1.9
149.06099	2.6
150.03194	4.4
151.03996	16.9
153.05547	4.4
159.04381	1.1
160.01634	1.0
160.05138	1.2
161.02417	3.8
161.06035	1.6
162.03102	2.3
162.06854	1.5
163.03996	12.2
164.01193	4.4
164.04781	5.2
165.01921	4.1
165.05490	2.6
166.02689	15.4
167.03487	2.0
173.02351	2.2
173.04533	2.5
175.03934	2.3
177.01875	3.0
177.05630	2.0
178.02673	4.6
179.03452	2.7
179.07114	12.2
180.04124	0.9
181.05045	57.1
182.05370	1.6
188.04755	5.1
189.05525	1.7
191.05588	3.2
192.04237	1.8
193.05022	15.3
205.04973	1.5
207.06563	2.6
211.06084	12.9
235.05896	0.8
254.05817	5.3
255.06567	2.0
269.08188	13.3
270.08896	4.0
283.06104	1.1
283.09830	1.3
284.10382	3.2
285.11115	1.8
287.09161	1.1
294.08929	1.0
295.05942	2.1
297.07745	1.9
298.08481	10.6
310.08356	3.6
313.10757	34.2
314.11182	2.0
323.07745	1.6
325.10803	2.5
328.09418	2.8
343.11816	37.3
344.12015	2.9
355.11661	1.1
358.10406	3.3
359.11072	1.9
371.11514	0.8
373.12845	100.0
374.13220	6.5
435.90271	0.9
473.14557	1.4
535.18579	15.3
536.18866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50108	0.4
57.03436	1.2
59.01375	4.1
60.99296	0.5
61.94998	0.4
61.98817	0.6
67.01884	5.1
69.03442	1.7
70.78945	0.6
70.79294	0.9
71.01369	6.1
73.02949	1.9
81.03453	1.1
83.05005	0.6
85.02933	1.7
87.00856	1.0
87.04513	0.5
88.74725	0.4
88.98795	1.3
89.02428	2.5
91.74738	0.4
93.03447	28.8
94.03780	0.5
95.05033	0.6
95.55160	0.4
96.46906	0.3
96.96002	0.8
97.02961	0.5
99.00842	0.4
99.04509	0.5
101.02396	2.5
109.02967	0.8
111.00871	1.9
111.04515	5.1
112.10854	0.4
113.02441	1.8
121.02974	1.3
123.04475	0.4
127.04029	0.6
131.03502	0.6
135.04553	0.5
135.08148	0.5
137.02431	6.0
137.09686	2.8
149.04527	1.4
151.04066	0.5
155.03455	4.9
155.10760	41.9
156.11090	1.6
161.02420	1.1
161.04506	0.5
173.04523	100.0
174.04832	1.8
179.03462	1.1
179.07039	0.5
181.08708	0.8
191.05640	0.7
199.09731	43.9
200.10117	1.2
241.10754	1.1
355.13864	4.4
361.14926	4.4
362.14774	0.6
373.14978	23.7
374.15121	1.3
389.17889	0.9
401.02045	0.5
445.17502	0.6
535.20294	24.6
536.20435	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.6
61.15868	0.3
71.01373	1.3
71.61150	0.6
84.15884	0.3
85.02956	0.7
89.02425	0.9
97.06577	1.4
101.02431	1.6
113.02418	0.7
119.03487	0.4
135.04507	0.7
137.09702	77.6
138.10028	1.8
139.07635	5.2
158.69928	0.4
159.24062	0.4
161.02425	1.0
163.03955	0.6
178.01294	0.4
179.03419	0.4
181.08676	100.0
182.08998	2.9
183.10239	0.6
193.12874	0.3
221.42175	0.3
278.24979	0.3
298.07156	0.5
347.17218	0.4
508.74649	0.4
536.17578	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	47.4
61.98826	10.5
68.76576	1.4
71.01367	17.6
72.31371	1.5
73.02942	2.5
75.00839	2.1
83.01387	1.8
83.40298	1.6
84.04507	2.5
85.02946	7.3
87.00853	4.5
89.02431	5.7
96.96009	9.0
97.28638	1.4
101.02413	7.1
102.05591	1.7
102.16341	1.4
110.06086	2.1
113.02418	5.3
119.04976	2.3
133.02985	8.0
135.04482	5.4
137.02437	1.6
137.06053	2.0
145.02979	1.5
152.03508	26.1
161.02391	21.8
161.04549	1.6
162.02649	1.5
162.05634	2.2
163.04024	1.5
173.04570	2.1
176.07129	2.6
179.03445	2.7
186.07738	3.7
238.07101	11.3
269.21234	3.1
287.22260	26.6
299.22141	1.8
372.65912	2.7
399.14719	3.6
403.23434	1.5
431.26138	9.6
432.26285	1.9
435.79852	1.7
449.27527	31.0
491.28558	100.0
492.28802	7.5
535.20203	21.5
536.20752	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	535.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18898	0.4
58.76707	0.4
58.98892	0.4
58.99175	0.4
59.01371	100.0
60.01712	0.5
61.98820	4.5
68.48260	0.4
70.92529	1.0
73.04918	0.5
89.07455	0.4
96.96028	0.4
97.06594	1.0
101.29475	0.4
112.95232	0.5
136.60638	0.5
150.07127	0.4
249.06422	0.5
374.04053	0.4
381.29306	0.4
446.71710	0.4
475.38239	4.5
535.32898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30521	0.3
59.01372	100.0
60.01707	0.9
60.28371	0.3
61.98826	2.6
63.22604	0.2
69.51212	1.6
69.51632	0.6
72.69093	0.3
72.72617	0.3
88.87005	0.3
91.02103	0.3
93.34812	0.3
93.38044	0.3
100.38056	0.3
100.88020	0.3
132.48032	0.3
158.63609	0.3
194.21942	0.3
220.67018	0.3
342.32422	0.3
358.17557	0.3
444.57379	0.3
499.30704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43481	0.8
55.38696	0.9
59.01373	100.0
59.23510	0.9
61.98821	12.6
62.24174	0.8
69.52042	6.3
94.18769	0.7
95.64159	0.8
98.20683	1.5
158.90088	1.0
193.78923	0.9
197.80232	0.9
277.21744	1.0
386.88260	1.1
407.33350	2.0
445.36722	1.9
448.58569	0.9
475.37872	50.7
476.38217	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	535.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
61.98824	3.9
62.46900	0.6
69.32760	2.1
69.33192	2.5
74.85381	0.5
80.99023	0.5
97.95237	0.5
116.92841	0.8
123.97762	0.6
313.93063	0.5
364.99692	0.6
475.37592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
60.01695	1.2
60.99314	2.7
61.98823	1.0
68.99804	0.8
71.01373	2.3
74.02470	0.8
81.03436	0.5
83.01379	3.5
85.02956	2.0
87.00862	1.0
88.98798	15.0
89.02441	2.3
93.03453	1.6
94.33499	0.6
95.01373	0.9
99.04498	0.7
101.02449	2.0
106.06657	0.8
106.96143	0.5
107.05040	0.9
108.04549	1.4
109.02958	0.6
113.02441	0.9
118.02985	1.7
118.05103	1.2
119.05001	1.2
120.00775	0.7
121.02947	1.9
122.02483	1.4
123.04513	2.1
124.04012	3.5
125.02412	1.0
132.04509	0.7
132.85426	0.6
133.02914	3.2
134.03722	1.1
134.06114	1.6
135.03302	0.5
135.04529	4.2
136.01611	0.7
139.00351	3.9
140.01137	2.5
140.07166	0.9
144.04532	1.1
146.06076	0.6
147.04494	0.9
148.03990	0.8
148.07614	1.5
149.06068	0.9
150.05618	1.6
151.03954	4.1
151.07643	1.2
152.07033	0.9
153.05550	2.3
160.01668	1.1
160.04012	0.9
160.07666	1.6
161.02431	10.9
161.04688	0.9
162.05548	0.8
163.03999	1.5
164.03398	0.6
164.07156	1.3
164.98262	1.8
165.05573	4.0
166.08687	1.0
169.08694	0.9
172.07574	0.9
173.04494	1.0
174.09265	1.8
175.03918	1.5
176.07098	2.9
177.05598	1.9
178.05037	1.4
178.06380	1.3
179.03470	9.2
179.07076	0.8
182.99312	4.6
184.78838	0.6
186.05588	0.6
188.07112	0.9
190.08740	0.9
192.06599	3.5
192.10271	1.7
193.04976	1.3
194.08240	0.7
194.41595	0.6
195.06589	46.3
196.06950	1.3
198.01669	1.9
202.08681	4.8
204.06651	2.0
204.10257	1.0
209.35611	0.6
211.75801	0.6
216.10240	1.7
221.04472	1.6
222.07590	0.8
230.08217	0.8
234.07655	0.9
234.11301	4.2
236.09196	3.3
238.07112	0.7
248.09216	2.4
250.46523	0.6
251.05481	1.2
252.08630	0.8
273.70233	0.6
278.10245	6.5
281.06644	2.1
285.04044	3.9
296.07721	3.2
296.11353	5.0
312.10501	0.6
338.12399	9.0
340.10269	4.3
341.08771	0.8
361.07953	0.7
388.14618	0.5
414.15588	4.1
414.20294	0.7
432.16800	0.7
447.09302	1.1
474.17404	0.9
492.14960	9.0
493.16400	1.0
518.16431	1.7
536.17743	19.6
536.25653	1.0
537.16278	6.9
537.24225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
60.01695	1.2
60.99314	2.7
61.98823	1.0
68.99804	0.8
71.01373	2.3
74.02470	0.8
81.03436	0.5
83.01379	3.5
85.02956	2.0
87.00862	1.0
88.98798	15.0
89.02441	2.3
93.03453	1.6
94.33499	0.6
95.01373	0.9
99.04498	0.7
101.02449	2.0
106.06657	0.8
106.96143	0.5
107.05040	0.9
108.04549	1.4
109.02958	0.6
113.02441	0.9
118.02985	1.7
118.05103	1.2
119.05001	1.2
120.00775	0.7
121.02947	1.9
122.02483	1.4
123.04513	2.1
124.04012	3.5
125.02412	1.0
132.04509	0.7
132.85426	0.6
133.02914	3.2
134.03722	1.1
134.06114	1.6
135.03302	0.5
135.04529	4.2
136.01611	0.7
139.00351	3.9
140.01137	2.5
140.07166	0.9
144.04532	1.1
146.06076	0.6
147.04494	0.9
148.03990	0.8
148.07614	1.5
149.06068	0.9
150.05618	1.6
151.03954	4.1
151.07643	1.2
152.07033	0.9
153.05550	2.3
160.01668	1.1
160.04012	0.9
160.07666	1.6
161.02431	10.9
161.04688	0.9
162.05548	0.8
163.03999	1.5
164.03398	0.6
164.07156	1.3
164.98262	1.8
165.05573	4.0
166.08687	1.0
169.08694	0.9
172.07574	0.9
173.04494	1.0
174.09265	1.8
175.03918	1.5
176.07098	2.9
177.05598	1.9
178.05037	1.4
178.06380	1.3
179.03470	9.2
179.07076	0.8
182.99312	4.6
184.78838	0.6
186.05588	0.6
188.07112	0.9
190.08740	0.9
192.06599	3.5
192.10271	1.7
193.04976	1.3
194.08240	0.7
194.41595	0.6
195.06589	46.3
196.06950	1.3
198.01669	1.9
202.08681	4.8
204.06651	2.0
204.10257	1.0
209.35611	0.6
211.75801	0.6
216.10240	1.7
221.04472	1.6
222.07590	0.8
230.08217	0.8
234.07655	0.9
234.11301	4.2
236.09196	3.3
238.07112	0.7
248.09216	2.4
250.46523	0.6
251.05481	1.2
252.08630	0.8
273.70233	0.6
278.10245	6.5
281.06644	2.1
285.04044	3.9
296.07721	3.2
296.11353	5.0
312.10501	0.6
338.12399	9.0
340.10269	4.3
341.08771	0.8
361.07953	0.7
388.14618	0.5
414.15588	4.1
414.20294	0.7
432.16800	0.7
447.09302	1.1
474.17404	0.9
492.14960	9.0
493.16400	1.0
518.16431	1.7
536.17743	19.6
536.25653	1.0
537.16278	6.9
537.24225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01373	6.4
60.99296	14.6
61.98824	6.7
63.71617	0.5
71.01375	2.7
71.61287	0.7
73.02940	0.6
82.95409	0.5
83.01403	0.7
85.02945	1.3
87.00866	1.2
88.98795	100.0
89.02451	1.8
89.99117	1.2
93.03442	1.5
95.01363	0.8
96.96037	2.8
98.95584	1.0
101.02436	1.1
101.29318	0.5
108.02125	0.9
113.02435	1.8
119.05013	1.5
122.03680	0.8
123.04549	0.9
123.21310	0.5
125.02426	1.2
127.04012	0.8
133.02901	1.2
135.04512	1.4
136.78859	0.6
137.02399	0.6
137.06033	0.9
145.02917	1.0
151.04007	0.5
152.01123	1.6
153.05566	0.6
155.03429	0.6
155.10812	1.4
156.11124	0.7
161.02449	3.0
163.03972	0.9
167.03432	2.2
168.00546	0.7
168.03830	0.9
168.60928	0.6
173.04494	3.3
174.04771	1.0
179.03494	2.1
195.06567	1.5
199.09656	0.7
249.53912	0.6
266.10095	0.5
275.38513	0.6
301.20172	0.5
331.36746	0.5
344.55054	0.5
373.14868	1.2
374.15363	2.3
446.18417	0.8
493.95084	0.5
513.55682	0.5
536.18231	0.6
537.15674	1.0
537.29022	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	536.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91338	1.2
57.22536	1.0
59.01377	7.0
65.58662	1.0
68.33796	1.1
69.03439	7.0
71.01380	1.6
71.58886	1.0
71.78944	1.1
73.99941	1.0
83.01373	7.6
85.02943	1.4
89.02444	1.4
95.05013	1.7
98.19814	3.7
113.02409	1.8
116.04995	2.1
117.03426	4.5
118.03787	2.5
118.06644	1.6
119.05016	4.2
120.04466	1.6
120.05318	1.4
121.06567	3.3
122.06976	1.6
132.04562	1.6
137.06024	1.2
138.98463	1.0
139.07590	1.8
139.11263	2.9
144.04549	9.2
145.01843	1.9
145.02943	28.0
145.05309	3.4
146.03319	12.9
148.03996	2.0
150.13136	1.2
151.04051	1.4
158.06056	1.5
160.04004	1.7
163.03964	3.2
164.04416	2.0
176.03412	1.4
176.07159	15.2
183.10248	77.9
186.01920	2.5
187.02647	2.4
188.03438	5.7
189.04214	3.4
202.05066	17.0
203.05849	18.0
204.02962	9.9
204.06599	18.0
205.05008	2.0
205.06863	1.2
208.09761	24.9
220.06113	53.7
221.06378	2.6
234.07683	100.0
235.07961	4.4
252.08807	1.7
262.95010	1.1
265.07147	1.6
266.07562	2.3
291.76443	1.1
340.11841	8.2
372.14465	91.8
373.14676	6.1
414.54437	1.3
492.21085	9.3
536.14099	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	536.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	7.5
61.98807	1.5
64.09487	0.6
71.01357	1.6
78.51707	0.6
80.05049	10.3
85.02931	0.7
87.78468	0.6
89.02422	1.0
94.06609	3.0
98.20618	1.6
101.02421	1.5
104.05067	3.8
106.06612	4.6
107.03758	4.2
108.04518	2.6
108.08192	1.1
113.02444	0.6
118.96309	0.5
120.04533	1.1
121.02876	0.6
122.02451	0.6
122.06109	28.8
123.06446	0.7
124.07639	1.5
130.06589	1.9
132.04591	1.3
134.06108	12.4
135.04486	2.9
136.07658	4.3
139.02704	1.4
146.06078	4.4
147.76311	0.6
148.04015	3.9
148.07532	0.8
150.05606	1.0
152.07152	57.8
153.05589	0.8
153.07475	0.7
153.09161	0.9
160.04019	2.2
160.07597	1.2
161.02399	1.5
162.05606	0.7
173.04741	1.8
174.05560	3.5
179.03482	2.0
180.06628	8.4
184.04810	0.6
186.05537	1.1
188.07132	23.3
210.07959	1.1
211.08752	4.2
213.14813	0.7
218.27718	0.7
223.08675	2.1
223.12173	1.0
224.09531	2.7
225.10294	6.3
226.10939	1.8
227.11819	7.2
233.10725	0.8
234.08131	0.6
235.08690	1.1
236.09503	1.1
237.06570	0.7
237.10316	2.3
238.07465	3.6
239.08241	1.3
239.11887	2.1
245.12965	5.3
248.09459	0.7
249.06636	1.3
249.10272	1.4
250.07452	0.8
251.08180	4.0
251.11873	3.5
252.08963	4.1
253.09755	14.8
257.12915	0.6
263.08151	0.8
264.08951	1.8
265.06381	0.8
265.09741	5.1
266.10446	1.3
267.08511	0.7
267.11349	6.7
277.09641	4.2
278.10461	1.3
279.07681	5.5
279.11298	3.7
280.08365	1.6
292.08578	2.1
293.09140	3.2
294.10098	5.0
295.10828	43.2
296.11197	2.8
305.09293	0.8
307.10852	15.0
308.11090	0.8
308.38763	0.6
311.06732	0.8
313.11752	0.9
321.08850	1.5
323.10300	3.3
325.11884	1.3
339.09787	2.0
390.18576	0.9
392.19751	1.7
404.16077	0.7
418.17450	1.9
419.18024	0.9
432.19107	2.0
440.16492	0.8
460.18723	84.4
461.19022	7.4
462.16675	0.8
463.06082	0.6
463.17239	1.7
476.18167	2.1
486.16919	1.1
498.36331	0.7
504.17712	100.0
505.18024	9.6
536.20398	18.9
536.29822	1.0
536.31763	1.0
537.19696	3.0
537.32990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01371	19.2
61.98818	6.4
67.01895	0.4
68.01407	2.3
69.03479	0.4
71.01372	1.6
71.61559	0.4
73.02956	0.6
75.00849	0.7
78.14948	0.4
80.11005	0.3
80.96501	0.5
81.02212	1.0
81.03465	0.6
83.01372	0.7
83.05002	0.4
84.04533	9.9
85.02940	4.2
88.98795	1.5
89.02418	0.7
93.02183	0.6
93.03438	1.4
94.02927	0.9
96.95995	4.4
97.46238	0.4
99.00893	0.4
99.04517	0.8
100.04026	4.5
101.02390	0.6
102.05585	1.6
106.06590	0.4
107.04951	0.6
107.14758	0.4
108.02143	0.4
109.01669	0.4
109.02927	0.6
110.06096	5.9
111.04488	0.9
112.98578	0.5
113.02440	0.6
119.05057	0.6
126.05615	0.4
127.03972	3.2
130.05031	0.4
132.04520	0.4
134.06122	0.7
135.04488	1.3
137.01175	4.2
137.02426	3.7
137.06050	5.5
142.08714	1.1
143.03465	1.0
145.03017	0.7
152.03511	100.0
153.03828	2.5
153.05585	0.5
154.05086	3.6
159.49860	0.5
160.03993	1.3
161.02412	1.0
162.05597	2.7
163.03967	0.7
164.07126	2.8
166.05058	0.7
168.06651	1.5
171.04552	0.5
176.07167	1.2
177.05530	0.4
178.05074	3.2
179.03494	2.4
180.06677	0.9
185.06020	1.0
186.07687	14.4
186.09349	0.9
187.08081	0.5
188.03484	4.4
190.05132	0.4
192.06630	0.6
194.08177	1.7
196.06140	0.7
202.08612	0.4
203.03329	0.4
206.04572	1.6
208.06084	0.4
220.06105	3.4
220.09773	0.6
230.08154	0.9
238.07156	38.5
239.07545	1.8
243.06551	1.4
251.07242	0.6
252.08846	0.7
253.99953	0.4
274.07187	2.1
275.09280	0.9
280.11893	0.4
281.07101	0.6
287.22238	0.8
288.22693	1.2
292.08459	0.6
306.09821	4.1
317.10254	3.5
324.11081	3.3
326.10220	1.2
334.09668	0.4
336.08841	0.7
338.12271	0.6
354.95532	0.4
356.13477	1.4
366.11884	1.4
368.11307	4.2
376.13965	4.2
380.11551	0.5
398.12231	3.2
400.15320	0.5
432.27274	0.6
444.16528	5.6
445.17014	0.6
450.27756	1.8
462.17590	1.5
464.38470	0.5
476.19116	3.9
491.28247	0.6
492.28906	6.0
504.18643	4.4
520.87360	0.4
536.20667	9.1
537.23297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	75.7
60.01716	8.1
61.01789	5.5
61.98820	100.0
70.40919	1.8
71.61896	2.3
81.87870	1.5
152.99574	1.6
158.31096	1.5
201.45097	2.0
222.32449	1.5
239.27185	1.8
336.14261	1.6
388.76492	1.9
396.28882	1.9
475.37119	4.6
476.37759	15.4
483.30740	2.1
501.31607	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	536.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98824	100.0
71.31615	0.5
78.95896	2.1
133.03014	0.2
135.04541	0.6
142.63293	0.2
152.99551	1.9
161.02437	0.5
179.03482	0.9
255.23262	0.3
274.35211	0.2
341.25519	0.2
352.30365	0.3
430.75372	0.3
473.36276	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.5
60.99299	15.6
61.98795	0.4
71.01375	2.3
71.63030	0.5
73.02962	0.6
85.02935	0.8
88.98795	100.0
89.02431	3.5
89.99133	0.8
91.54295	0.3
93.03430	0.5
99.00909	0.5
99.04494	0.5
101.02415	2.0
103.25283	0.3
103.26075	0.4
109.02934	5.6
113.02435	0.9
119.03490	0.9
121.02945	0.8
122.03783	0.4
123.04498	0.6
131.03522	0.9
133.02940	2.3
134.03706	0.9
135.04510	2.8
139.00388	2.4
140.01163	1.7
145.02975	0.4
146.03751	0.6
149.02428	1.2
149.04530	2.0
149.05748	0.3
149.99557	0.5
151.00313	0.7
153.01924	9.4
153.05589	0.4
159.04517	0.4
160.01646	1.2
161.02458	3.6
161.04584	0.5
161.06047	0.6
163.03952	0.6
164.04639	0.4
164.98276	1.9
165.05548	0.6
168.00621	0.4
173.04549	1.2
175.03979	1.3
176.04370	0.4
177.01836	0.4
177.05579	1.0
179.03448	2.9
182.99316	4.8
183.10294	0.4
191.05606	0.7
193.05078	1.0
195.06500	0.8
198.01701	1.0
217.29314	0.4
221.04538	1.1
221.06577	0.7
223.06088	0.6
251.05542	1.0
281.06586	2.2
285.04010	25.6
286.04453	1.1
311.09607	0.8
341.08701	1.5
363.20111	0.8
375.12939	1.7
447.09293	4.9
507.20584	1.0
536.18536	0.4
537.13281	3.7
537.21130	4.7
538.13470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98818	0.4
65.00328	0.6
69.04442	0.3
69.47237	1.2
69.47640	0.5
71.01396	0.6
73.05596	0.2
75.00863	5.6
77.04025	0.2
82.95410	1.4
87.60627	0.2
88.98834	0.5
89.02448	0.9
91.01886	12.5
93.03431	0.2
95.01403	0.8
99.00900	0.2
101.02435	0.3
107.01404	0.2
107.05017	0.5
108.02162	15.4
109.02951	3.6
121.02963	0.9
123.00877	4.4
124.01662	0.5
125.02418	0.4
135.00870	12.8
135.04478	0.4
136.01256	0.3
137.02429	2.5
149.04503	0.4
152.01137	14.5
153.01825	0.5
153.09227	0.3
179.03404	0.2
190.02679	0.3
197.06003	1.5
197.07986	0.2
199.07629	0.3
213.05609	1.3
215.07092	0.9
225.05525	0.4
233.06541	0.3
241.05043	0.3
243.06577	100.0
244.06895	4.2
293.08813	1.1
331.29956	0.2
333.19589	0.3
401.82947	0.2
429.10315	1.9
537.15906	9.9
538.16364	0.6
559.67609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33354	0.5
58.00579	0.5
59.01367	8.6
67.27739	0.5
69.03445	16.5
71.01376	6.4
71.62734	0.8
72.99300	0.6
73.02935	0.6
75.00850	0.9
81.03439	0.6
85.02955	1.5
87.00881	1.9
89.02430	7.1
95.05020	0.8
99.00890	0.7
99.04520	2.1
101.02420	3.6
107.05025	7.7
109.02960	0.9
113.02425	5.4
117.03474	1.0
119.03487	2.0
125.02441	0.5
125.06082	1.7
132.02135	0.9
133.02942	28.7
133.06625	0.8
134.03662	1.8
135.03473	0.8
135.04507	16.6
136.01666	3.5
136.04884	0.6
137.02437	0.9
145.02951	0.6
149.02428	0.5
149.04570	1.6
149.06073	2.4
151.03987	6.3
151.07645	3.6
161.02420	100.0
162.02779	3.4
163.03983	0.7
165.05591	0.8
167.53139	0.5
169.08707	1.6
175.04028	0.7
175.07564	1.1
177.05563	3.5
179.03474	15.9
179.05251	0.9
179.05531	1.2
181.04985	0.5
183.10191	1.0
193.04997	0.9
213.07681	2.4
221.02655	0.7
221.04428	3.5
251.05670	1.0
270.53534	0.5
281.06619	1.5
293.08676	2.0
309.11154	1.2
314.11096	0.5
315.11487	0.6
323.07718	2.6
327.12341	2.0
357.09427	0.9
373.12698	0.7
374.12918	0.6
375.13492	2.5
406.03894	0.5
423.13165	3.2
456.88104	0.5
475.15875	1.6
493.17212	7.3
507.20038	0.8
537.15906	76.5
538.16302	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	537.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20866	0.7
59.01377	12.4
60.99285	0.8
68.28485	0.8
68.88159	0.7
69.27985	7.1
69.61048	0.8
71.01374	10.9
73.02914	1.4
83.01353	1.7
84.46178	0.8
85.02941	4.8
88.68946	0.7
88.98787	5.5
89.02437	7.9
95.01366	0.9
99.00844	1.1
99.45856	0.9
101.02441	8.0
104.29753	0.7
113.02439	3.5
119.03473	2.6
123.04504	0.9
125.09699	1.9
132.02171	1.4
133.02940	24.2
134.03734	1.1
135.04512	10.3
149.06004	1.6
151.07664	1.1
161.02423	100.0
162.02766	2.3
177.05536	3.4
179.03423	7.5
182.38486	0.8
183.53268	0.7
188.15225	0.7
195.80583	0.8
213.43700	0.9
221.04501	3.2
251.05602	1.6
272.48709	0.7
281.06653	4.3
284.03168	2.2
285.04083	4.6
309.80060	0.9
331.13974	5.3
341.08539	2.7
375.12869	19.3
376.13257	1.2
447.09265	6.1
449.17877	0.9
493.17090	42.3
494.17575	3.8
505.13608	1.8
537.16028	29.5
538.16632	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	537.181
Annotation	6'-O-alpha-D-glucopyranosylloganic acid
Peak:m/z	Relative Intensity
51.79924	0.6
55.01875	1.7
57.03437	1.5
58.00583	2.9
59.01374	61.0
61.78553	0.7
61.98819	2.5
62.08518	0.6
69.03452	2.0
70.45935	1.6
70.46278	1.0
71.01375	43.1
72.99303	2.2
73.02931	3.1
81.03456	0.8
83.01369	2.6
84.05859	0.7
85.02946	10.3
87.00868	3.9
89.02437	57.1
93.03425	1.5
95.01380	3.6
96.95982	2.0
97.02935	0.6
98.19786	0.6
99.00862	2.7
99.04533	1.1
101.02433	25.9
107.05018	18.5
109.02922	1.7
111.00828	0.9
113.02439	18.4
119.02635	1.3
119.03487	19.0
121.02951	1.1
122.03740	1.6
123.04533	0.9
125.02444	1.1
131.03523	1.7
133.06564	2.0
136.01668	0.9
137.02429	1.0
143.03516	4.0
146.03745	1.2
149.04507	1.8
150.03221	3.7
151.03999	1.2
151.07642	2.8
153.05585	1.4
159.02966	0.7
161.04536	9.0
161.05901	1.3
164.04817	1.5
164.66141	0.6
165.05499	3.6
169.08719	1.0
173.04518	2.7
179.05608	27.6
179.07095	4.0
180.04271	1.4
180.05782	0.8
188.04747	0.8
189.05533	1.5
191.05576	1.6
191.07164	1.7
195.06607	5.8
203.07069	0.9
211.84837	0.6
213.07695	0.8
241.04926	0.9
256.07281	0.9
267.06549	1.9
282.09085	1.3
297.07895	1.2
297.11234	3.7
311.09305	0.9
323.09778	8.2
327.12375	2.7
331.13980	4.7
345.09555	1.5
345.13477	2.3
357.13171	1.1
360.12115	3.3
375.14362	24.6
376.14651	1.8
376.55795	0.7
377.57538	0.9
418.72250	0.8
489.15991	0.9
493.19180	2.0
537.18188	100.0
538.18469	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	537.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.6
69.36157	5.9
69.36490	1.2
71.01361	3.1
75.00846	1.0
83.01373	0.9
85.02916	1.4
89.02430	1.7
93.03469	0.9
96.95956	0.9
101.02417	1.2
105.99695	1.0
108.02159	12.7
109.02942	14.0
113.46647	1.0
121.02906	4.6
122.03746	3.8
123.00869	0.7
123.04503	12.3
133.02928	3.7
134.03729	2.2
135.04503	3.4
136.01633	8.0
137.02385	1.0
145.02922	1.6
146.03717	9.1
146.08131	1.0
147.04483	2.1
149.02402	1.4
150.03203	3.9
151.03986	7.4
159.04471	1.3
160.05217	0.9
161.02425	11.6
161.04602	1.0
161.06042	4.6
162.02986	0.8
164.04807	3.3
165.05534	4.0
171.04539	0.9
172.05261	1.8
173.04524	0.8
174.03169	1.4
175.03960	10.9
176.04756	63.1
177.05241	2.5
179.03545	1.1
179.07104	14.1
180.04248	1.7
188.04750	1.1
189.05576	6.4
190.06297	5.9
191.07108	88.2
192.07458	3.7
193.07036	0.8
195.06560	8.5
209.08151	8.8
223.07802	0.8
251.07146	3.7
259.03885	1.5
261.05548	2.1
265.08597	0.8
266.05743	1.8
267.06558	7.2
278.05844	0.9
279.06540	12.2
281.08203	2.3
282.08966	3.9
293.08215	1.9
294.08942	6.0
296.10388	1.7
297.07709	3.3
297.11273	13.4
309.11197	1.1
312.10010	18.4
313.10196	1.1
315.12329	5.5
323.07578	2.0
327.12317	100.0
328.12604	6.0
345.13385	60.8
345.16641	1.1
346.13837	3.7
357.13370	21.3
358.13669	2.0
375.14410	44.8
375.31693	0.8
376.14856	2.1
394.34006	0.8
480.18777	0.8
501.16006	6.8
537.15631	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	537.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.4
58.00574	4.4
59.01371	100.0
61.98819	1.4
69.39531	2.8
69.39948	7.6
71.01373	59.9
72.99300	6.3
73.02960	2.1
75.00881	1.8
83.01393	2.6
83.11718	1.2
85.02949	11.7
87.00848	5.1
87.21576	1.2
88.98777	1.6
89.02431	97.6
95.01377	6.1
96.95941	1.5
99.00855	1.3
100.96860	1.1
101.02428	30.7
108.02143	4.6
109.02946	6.6
113.02430	27.1
119.03485	38.5
121.02913	4.9
122.03710	5.5
123.00743	1.1
123.04510	3.7
129.01985	1.3
131.03477	5.0
133.02921	6.7
134.03711	10.1
135.04498	15.0
136.01637	7.1
137.02420	5.0
143.03476	6.3
145.02937	1.9
146.03766	5.4
147.02957	4.0
147.04439	1.0
149.02464	5.8
149.04527	3.4
149.06055	4.7
150.03197	25.2
151.03979	12.5
159.04506	1.9
160.05238	1.5
161.02429	27.9
161.04427	8.9
161.05804	1.5
162.03174	4.5
163.03969	2.3
164.04727	3.9
165.05539	23.9
173.06078	1.4
175.03967	1.6
176.04762	10.9
177.05556	9.1
178.02719	5.6
179.02031	2.0
179.03453	17.5
179.05556	28.7
179.07095	6.8
180.04239	8.7
187.03897	5.6
191.05493	1.3
191.07104	18.3
193.05025	23.1
194.05420	1.9
195.06593	29.5
201.05527	1.9
202.06273	4.9
203.07079	2.0
209.08122	1.7
221.04524	8.5
251.05516	10.2
263.07184	2.1
274.63995	1.2
279.06616	2.3
280.07541	1.4
281.06564	15.3
294.08969	1.4
309.07523	4.5
309.10788	1.3
323.09155	4.3
324.09952	11.3
327.12262	5.8
339.12305	71.8
340.12521	4.1
341.08624	11.7
345.13162	9.1
357.13562	1.2
375.14523	7.2
389.12277	1.4
447.08673	1.5
470.60660	1.2
519.19147	1.8
537.15240	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	537.1973
Annotation	Tanegoside
Peak:m/z	Relative Intensity
50.99970	0.3
51.95042	0.3
59.01365	2.0
69.67474	1.4
69.67879	0.8
71.01380	2.3
73.02930	1.7
85.02938	0.7
89.02452	1.9
91.03347	0.3
92.79108	0.3
93.03410	0.5
96.96030	0.4
98.20594	0.7
99.04475	0.4
101.02441	0.9
108.02171	1.8
109.02939	4.2
113.02430	0.7
119.03497	0.6
121.02954	1.1
122.03713	1.8
123.04506	1.4
124.01666	0.4
127.07751	0.4
133.02940	0.5
135.04514	0.6
136.01624	0.6
137.02434	0.6
146.03697	2.6
147.04462	0.4
147.42554	0.3
150.03242	0.8
151.03961	0.9
159.04509	0.7
161.02417	1.4
161.04573	0.8
161.06039	0.8
163.03986	0.4
164.04758	1.9
165.05499	1.1
167.03485	0.6
173.04495	1.8
173.06004	0.9
174.03313	0.5
174.04715	0.3
175.04016	2.5
176.04695	1.2
179.05737	0.3
179.07123	6.8
180.04204	1.1
182.55330	0.3
185.05951	0.4
187.03961	0.9
188.04778	1.8
189.05534	5.3
190.06165	0.5
191.07088	2.4
192.04199	0.4
193.04924	0.4
195.06618	3.7
197.05887	0.4
201.05580	1.0
203.07121	5.4
207.06613	0.9
213.05623	1.0
216.61818	0.3
217.04970	0.5
224.04768	0.3
225.05475	0.7
240.04256	0.9
241.05042	6.8
242.05791	1.9
243.06581	1.2
255.06509	1.8
256.07355	7.5
257.08167	7.8
258.08920	0.4
261.05344	0.3
266.05774	0.7
267.06577	1.5
268.07416	0.7
271.09766	1.3
278.06027	0.4
279.06583	1.2
281.08279	0.8
282.08969	1.0
283.09708	1.4
292.02994	0.3
293.08228	0.5
294.08865	1.9
295.09824	0.4
296.07047	0.5
297.07648	3.6
297.11221	1.3
299.09006	0.5
309.04056	0.4
309.07843	0.6
309.11423	1.0
310.08484	1.1
311.09146	3.6
312.09967	3.5
313.10464	0.4
315.08804	1.1
322.77808	0.4
324.09906	0.4
325.10724	0.5
327.08572	0.8
327.12280	6.1
328.12744	0.5
329.10345	0.7
339.12405	1.9
342.11014	1.1
345.09665	3.8
345.13474	1.4
357.13376	1.4
359.11417	1.1
360.12097	16.9
361.12369	1.0
363.10666	0.4
363.16550	0.4
375.14432	100.0
376.14774	6.5
537.20367	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	537.1972
Annotation	Tanegoside
Peak:m/z	Relative Intensity
57.03440	0.8
58.00569	1.3
59.01374	26.6
61.21484	0.5
61.98806	1.0
67.95746	0.5
69.82899	2.9
71.00986	0.8
71.01378	16.4
72.99281	1.1
73.02943	1.5
83.01358	0.7
85.02953	3.2
87.00867	0.6
89.02436	22.3
93.03449	1.6
95.01384	1.4
96.96020	1.0
101.02437	8.4
108.02149	2.1
109.02943	4.0
112.38551	0.6
113.02444	6.7
114.47893	0.5
119.03500	8.2
121.02951	6.1
122.03736	26.5
123.04476	1.7
124.01633	1.8
125.39957	0.6
131.03479	1.0
133.02907	0.9
134.03703	2.3
135.04495	2.4
136.01656	9.0
137.02428	4.3
137.06096	0.7
143.03487	2.2
143.04945	0.6
145.02919	1.5
146.03723	45.0
147.04541	3.1
149.02411	1.3
149.04515	1.6
149.06091	0.7
150.03174	4.1
151.03993	9.6
154.02716	3.4
158.03615	0.7
159.04533	1.2
161.02455	3.2
161.04556	3.1
161.06052	15.3
161.07379	0.8
162.03188	1.7
162.06319	0.6
163.03984	2.4
164.04779	30.7
165.05525	5.8
167.03583	0.6
171.04477	0.5
172.05269	1.1
173.04526	3.6
173.05945	1.2
175.03966	7.9
176.04759	13.0
177.05272	0.7
179.03604	3.1
179.05676	6.2
179.07108	100.0
180.04269	13.6
180.05661	0.4
180.05992	0.7
180.07434	3.6
181.04903	0.9
187.03940	1.6
188.04735	0.9
189.05513	1.3
190.06294	2.7
191.07115	26.0
192.04298	2.7
192.07439	1.5
193.05026	2.4
194.05774	1.3
195.06601	48.5
196.06912	2.0
202.06355	1.4
203.07018	1.1
207.06602	7.5
208.06824	0.9
234.07217	0.5
251.07187	0.7
262.06879	0.6
263.07120	1.2
267.06570	1.9
275.07050	0.7
278.09360	0.7
279.06595	2.5
281.08368	0.5
282.08920	2.1
293.08264	0.7
294.08990	2.4
297.07791	1.0
297.11224	4.6
307.09146	0.7
309.07599	1.4
309.11188	1.2
311.09171	0.6
312.09998	4.1
323.09274	1.2
324.09973	2.9
327.12347	21.0
328.12576	1.0
339.12311	20.8
340.12595	1.4
345.13351	13.9
346.13831	0.9
357.13437	5.5
360.12012	4.4
375.14432	87.1
376.14725	6.2
519.18829	1.3
537.19733	6.5
538.18030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	45.8
61.98821	100.0
64.82714	0.6
68.99557	1.2
69.49890	1.3
69.50290	5.2
71.01357	1.5
78.95909	2.0
79.06290	0.6
89.02425	1.4
89.10010	0.7
91.21440	0.8
92.12861	0.7
92.37579	0.7
96.96023	2.7
98.95595	1.1
101.02436	1.4
110.43082	0.8
112.98598	1.3
123.04533	2.2
124.04057	1.0
130.08694	6.2
133.02908	0.9
135.04491	1.9
137.06099	2.2
138.05585	8.1
144.62624	0.7
159.99104	0.7
161.02466	1.5
161.09802	0.9
174.09145	3.5
176.10785	1.9
179.07104	29.6
179.10689	1.5
180.07709	0.9
180.10275	23.9
197.11844	1.4
206.11800	18.4
207.12254	0.9
218.08240	1.0
248.16707	1.7
250.10791	17.5
292.15509	1.8
309.20544	1.1
310.16806	0.9
313.23819	8.7
314.24445	1.1
419.82745	0.7
431.50766	0.8
474.21252	28.8
475.21323	3.4
537.24902	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	537.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92461	1.8
59.01369	17.3
60.99294	7.2
66.91664	1.7
69.81665	9.8
71.01372	13.5
73.02943	3.4
75.87557	1.7
76.38567	1.6
85.02945	2.9
85.97173	1.6
88.98798	38.8
89.02438	23.7
91.01879	2.3
93.03455	2.2
99.00875	6.6
101.02427	10.3
109.02948	58.9
113.02454	3.6
131.03497	4.8
135.04486	2.2
149.04547	27.0
153.01923	100.0
161.02376	4.2
161.04552	3.9
173.04498	6.4
179.03413	3.0
191.05637	4.2
221.06631	4.2
236.09370	1.5
251.07661	4.5
264.20969	2.6
281.06387	2.0
285.04099	8.2
293.08792	2.2
311.09610	4.7
375.16763	2.4
447.08682	3.4
491.87985	2.1
501.16422	2.2
537.15515	31.1
537.21338	33.6
538.15332	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	537.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	2.9
59.01373	39.8
60.59734	2.5
61.98822	27.8
70.36033	2.6
70.40473	7.9
71.01369	17.5
71.27965	2.4
73.02956	4.7
89.02438	25.0
101.02422	14.1
104.05958	2.4
113.02432	7.4
119.03441	4.8
131.03448	5.5
135.04494	6.3
136.01643	3.4
149.04510	20.3
149.05811	4.0
161.02415	9.8
161.04492	2.8
173.04460	3.4
174.04803	3.2
179.03493	7.8
190.32867	3.0
191.05585	3.4
195.95961	2.4
206.04962	2.6
281.06528	3.2
311.09695	2.9
356.11862	3.1
357.51422	2.9
375.13248	17.4
404.12830	2.7
537.20959	100.0
538.21155	7.6
550.07721	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	537.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80026	2.2
54.69084	2.1
59.01130	2.6
59.01374	26.8
71.01363	12.0
71.61089	3.5
73.02948	2.6
85.02974	3.7
89.02438	39.7
90.02737	3.8
90.15272	2.2
98.93778	2.0
101.02426	14.3
112.43275	2.8
113.02426	5.8
119.03483	7.0
120.03833	2.6
131.03535	4.9
143.03499	3.3
149.04538	16.0
151.04082	2.7
171.06792	2.2
179.05579	5.8
180.05989	3.1
183.58694	2.1
271.73721	2.3
280.07333	2.8
296.09888	3.7
296.51288	2.2
297.10236	2.6
355.11899	3.5
357.12418	6.4
409.01892	2.5
488.65332	2.4
537.21039	100.0
538.21594	7.7
545.98340	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	537.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
62.47778	0.3
68.99811	1.4
69.03465	0.3
69.79771	1.1
71.01375	0.6
83.01376	9.4
85.02927	0.3
89.02434	1.0
98.19860	0.3
99.12382	0.2
101.02463	0.5
108.73838	0.2
113.43435	0.3
123.03594	0.3
123.04511	0.5
139.07645	1.9
139.11259	2.6
144.04568	0.3
145.02919	0.3
145.04881	0.3
146.03261	0.4
149.04521	0.3
151.03983	1.0
161.02391	0.2
165.09192	0.3
176.07144	0.4
183.10233	100.0
184.10536	3.2
202.05119	0.6
203.05797	0.6
204.06549	0.5
207.97556	0.2
208.09795	0.9
209.10092	0.5
215.09087	0.4
220.06108	1.2
221.06493	1.2
234.07695	2.3
235.08015	1.2
293.08640	0.4
314.29700	0.3
348.17285	0.3
357.92291	0.3
372.14618	1.4
373.14709	2.7
466.78302	0.3
493.20599	0.5
537.14862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32301	0.6
57.03434	1.1
58.00578	1.3
59.01089	1.4
59.01371	23.0
61.98848	1.2
67.01921	0.8
67.32865	0.7
69.57622	5.2
71.01373	20.4
72.99306	1.3
73.02930	2.8
81.03452	1.0
83.01390	2.2
83.05007	1.6
85.02939	6.6
87.00869	2.4
89.02431	23.0
89.98841	0.8
93.03454	10.6
95.01376	1.4
96.96001	1.4
99.00878	1.6
99.04509	100.0
100.04844	1.2
101.02435	18.3
108.02155	0.8
109.02958	2.2
111.04488	7.8
113.02427	10.7
119.03485	7.5
121.02949	2.5
122.03735	6.4
124.01665	0.8
127.04003	1.2
129.01939	1.1
133.02971	1.3
134.03589	0.9
135.04530	2.1
136.01653	3.4
137.02440	3.3
143.03458	1.7
146.03735	11.4
147.04492	1.0
149.02412	0.9
150.03188	2.3
151.03986	1.8
151.07634	0.8
155.03505	7.8
159.02924	0.9
159.69170	0.8
161.02466	4.9
161.04555	3.8
161.06091	3.7
164.04774	8.1
165.05528	3.0
173.04517	31.1
175.04022	1.7
176.04784	4.3
177.05077	0.8
179.03551	1.6
179.05597	2.7
179.07089	23.7
180.04268	3.3
187.03946	0.9
189.05418	1.0
191.05563	4.0
191.07141	7.6
192.04237	1.2
195.06604	11.6
207.06596	2.1
241.05061	0.9
256.07352	0.8
263.11392	2.5
267.06601	2.6
278.05856	0.9
279.06653	1.5
282.08878	1.8
294.09174	1.0
297.08334	1.0
297.11215	4.2
312.10080	1.8
323.07736	0.7
327.12347	8.7
339.12225	4.3
345.13135	2.5
345.15588	3.5
357.13391	2.6
360.12134	1.7
363.16562	66.9
364.16940	3.7
375.14413	29.0
376.14584	1.9
500.11166	0.8
537.21930	89.3
538.22351	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	537.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46281	0.7
53.80205	0.6
55.01866	0.8
57.03440	1.7
58.00576	1.5
59.01375	27.0
61.98809	1.0
63.68175	0.9
66.97269	0.6
71.01378	22.9
71.15124	0.6
71.57199	0.8
72.99311	1.2
73.02931	3.4
74.01141	0.7
75.00856	2.2
79.60386	0.7
81.03434	1.6
83.01378	1.5
83.04987	1.3
85.02953	7.0
87.00881	4.0
89.02437	24.9
89.02992	1.6
93.03442	10.2
95.01385	1.8
96.95996	2.6
99.00864	1.3
99.04510	100.0
100.04861	1.3
101.02435	16.9
109.02940	4.3
111.04520	6.9
113.02433	11.5
119.03503	9.9
121.02963	2.1
122.03735	6.3
124.01590	0.7
127.03987	1.2
129.01888	0.7
133.02936	1.3
134.03714	1.0
135.04506	1.7
136.01656	2.9
137.02455	3.6
140.20520	0.8
143.03461	2.0
145.02989	1.2
146.03723	12.7
149.02428	1.0
149.04559	1.3
150.03181	3.1
151.03992	3.1
151.07611	1.5
154.02707	1.0
155.03493	7.8
159.03006	1.3
161.02448	6.1
161.04539	5.6
161.06059	3.9
163.03937	0.9
164.04776	8.4
165.01904	2.2
165.04193	0.8
165.05518	3.7
173.04530	34.0
175.03976	2.4
176.04771	5.8
179.03569	1.3
179.05595	3.1
179.07100	24.0
180.04256	2.9
180.07494	1.2
189.05519	1.3
190.06340	0.9
191.05548	4.6
191.07130	9.5
192.04314	0.9
193.04907	1.0
195.06592	14.0
207.06624	1.9
241.05055	0.7
256.07401	1.0
257.07980	0.8
263.11337	2.7
267.06573	2.4
273.09677	0.8
279.06680	1.5
282.08984	1.8
294.08823	1.4
297.07990	1.2
297.11343	4.1
302.50858	0.8
312.10083	2.0
319.17529	0.9
323.07852	1.4
324.10190	0.9
327.12363	12.0
339.12479	5.2
345.13382	2.9
345.15570	4.3
357.13208	2.3
360.12085	1.7
363.16553	68.6
364.16983	3.6
375.14417	35.0
376.14819	1.7
438.05502	0.9
537.21948	90.0
538.22290	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	537.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
57.03445	5.4
58.00578	2.9
59.01373	64.1
60.99290	2.6
61.98823	4.2
64.34086	0.9
67.01896	2.3
68.99803	2.1
69.03441	3.7
69.40176	4.9
69.40598	3.3
71.01374	51.9
72.98662	1.0
72.99294	5.3
73.02933	4.3
75.00867	3.6
83.01376	5.4
85.02938	23.0
87.00862	9.2
87.04502	1.9
88.98795	8.1
89.02433	58.5
90.02795	1.2
91.69017	1.0
93.03453	7.0
95.01390	5.6
97.02932	5.7
98.20698	1.4
99.00880	6.3
101.02435	25.7
108.02178	3.3
109.02954	2.1
111.00880	1.7
111.04520	1.1
113.02430	19.6
115.03989	3.3
117.03468	1.8
119.03491	22.3
121.02960	2.1
121.10244	1.3
123.04510	4.9
125.02442	1.6
129.01941	10.3
131.03488	3.1
133.02957	8.2
134.03706	5.3
135.04517	13.7
136.01645	1.8
137.02473	2.5
141.01953	2.0
143.03503	2.3
145.02948	2.6
146.03741	11.7
147.02983	1.9
147.04533	1.3
149.02455	6.0
149.04509	3.4
149.06026	1.1
150.03191	11.2
151.03990	2.9
153.09245	2.8
155.10753	7.6
159.02974	2.3
161.02423	18.6
161.04541	6.2
161.06052	3.2
162.03204	9.6
163.03981	2.6
164.04781	7.7
165.05537	7.8
165.09148	1.2
167.10692	5.0
173.04536	11.4
175.03955	2.5
176.04814	4.8
177.02013	1.2
177.05557	9.4
178.02731	2.1
179.03499	8.7
179.05585	9.8
179.07156	10.1
180.04112	1.8
183.10275	1.0
191.05594	8.0
191.07162	7.1
193.05005	9.4
195.06616	6.7
197.08195	4.4
199.09743	3.4
209.06595	2.6
209.76163	0.9
215.09273	4.1
221.04492	1.2
267.06671	1.3
284.03351	1.4
297.04059	2.6
299.05569	2.7
312.10077	2.8
327.05072	13.0
327.12244	11.5
339.12360	5.1
341.10046	1.0
345.13199	3.0
345.15585	3.3
357.06088	3.9
359.17050	2.3
363.16507	3.3
375.14453	3.9
389.12857	1.3
430.76266	1.1
447.09259	13.1
477.19571	1.3
487.18231	2.1
489.18066	1.2
501.16019	12.6
519.15155	3.5
537.21954	100.0
538.22571	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	537.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76944	1.3
54.40339	1.3
55.01859	1.7
57.03437	5.3
58.00578	4.9
59.01371	93.6
60.99291	3.7
61.98817	12.0
62.23391	1.3
67.01877	1.6
68.99805	1.3
69.03441	3.5
69.32542	11.1
71.01369	69.6
72.99294	8.1
73.02916	6.7
75.00869	4.3
83.01385	4.6
85.02932	26.4
87.00866	9.4
87.04517	1.9
88.98795	24.5
89.02431	92.2
93.03446	10.1
95.01380	5.3
97.02955	6.1
99.00864	6.4
101.02426	35.7
108.02166	5.4
109.02917	2.9
111.04531	2.2
113.02433	26.6
115.03978	2.8
117.03490	1.6
119.03486	31.1
121.02947	4.1
121.10249	2.3
122.61469	1.3
123.04510	5.8
125.02467	1.5
129.01932	6.5
131.03491	3.1
133.02930	15.8
134.03755	8.2
135.04509	27.1
136.01640	4.2
136.04736	1.8
137.02449	4.7
141.01958	2.4
143.03485	5.5
145.02943	5.1
146.03738	12.0
147.02998	3.1
147.04491	1.4
149.02419	5.7
149.04527	4.5
149.06024	2.7
150.03214	12.7
151.03987	10.0
152.01166	1.4
153.09215	2.8
155.10747	5.1
161.02420	30.6
161.04556	9.0
161.05951	2.3
162.03201	11.8
163.03990	4.4
164.04774	8.1
165.05550	11.7
167.10780	4.0
173.04509	9.1
175.04042	3.5
176.04755	6.2
177.05534	9.7
178.02734	3.4
179.03502	18.9
179.05589	17.6
179.07141	10.2
180.04091	2.8
183.10138	1.4
189.05545	2.4
190.06609	1.3
191.05574	13.0
191.07182	7.9
193.04988	12.9
194.95593	1.3
195.02953	1.5
195.06653	11.7
197.08209	5.4
199.09744	3.3
209.06636	1.8
215.09079	6.5
267.06503	2.8
279.06638	2.4
284.03360	3.5
285.03754	1.6
294.09055	2.9
297.04166	5.6
297.07364	1.4
297.11246	2.7
298.04727	4.0
299.05719	5.0
300.05988	1.5
309.11401	1.7
312.09912	4.9
327.05042	40.8
327.12280	25.1
328.05524	3.1
328.13120	1.3
339.12445	4.9
345.13538	5.1
357.05984	10.6
357.09521	2.3
357.13467	1.9
359.17148	2.2
363.16711	1.6
375.14288	3.7
389.12573	3.6
392.95172	1.5
439.65616	1.6
447.09262	39.5
447.15292	2.5
448.09683	4.1
477.19482	1.6
487.18240	2.0
489.17886	3.8
501.16159	27.4
502.16626	2.5
519.15051	4.5
537.21979	100.0
538.22467	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	537.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.6
58.97855	0.5
59.01372	8.4
60.99275	1.0
64.97727	0.6
67.01876	5.7
67.62927	0.5
69.03418	1.3
69.24023	3.9
69.24445	1.4
71.01375	8.3
72.99274	0.6
73.02933	1.0
81.03430	1.1
83.01360	0.6
83.05009	1.3
85.02928	2.1
87.00858	1.1
89.02436	6.6
93.03447	32.5
96.95985	1.7
98.19723	0.8
99.04510	21.2
101.02437	4.7
102.35789	0.6
108.02090	0.6
109.02926	6.0
111.00882	0.8
111.04509	6.6
113.02473	2.6
119.03457	2.3
121.02940	0.8
122.03712	2.2
129.01848	0.7
133.02907	1.8
135.04474	1.7
136.01630	3.9
137.02435	5.3
145.02925	0.6
146.03668	4.4
149.02390	0.7
150.03226	3.3
151.03992	4.2
155.03502	4.9
160.05226	0.6
161.02414	5.7
161.04547	1.3
161.06049	2.1
164.04837	2.2
165.05508	4.2
172.05240	0.8
173.04524	100.0
174.04858	1.9
175.03926	2.7
176.04689	2.9
179.03516	1.6
179.05666	1.1
179.07126	5.8
180.04271	1.1
189.05573	1.6
190.06311	0.9
191.05566	3.9
191.06958	4.1
193.04918	0.7
195.06578	4.8
203.22102	0.6
207.06537	0.6
266.05887	0.7
267.06577	10.1
273.09592	0.7
279.06528	3.0
282.08939	9.6
293.08118	0.9
294.09048	1.6
297.07880	1.2
297.11243	24.2
298.11664	1.3
309.11343	0.7
312.09924	3.9
323.07617	1.5
325.10391	0.6
327.12311	19.3
328.12598	1.2
339.12442	2.2
345.13263	11.7
346.13959	0.6
357.13403	4.4
363.16547	21.2
364.17017	1.1
365.59000	0.6
375.14423	22.9
376.14795	1.0
537.22028	34.2
538.22131	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	537.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.9
58.00583	2.4
59.01374	67.2
60.91481	1.7
61.98824	1.8
62.96284	1.6
71.01374	57.3
72.99305	4.8
73.02938	12.3
75.00882	3.2
83.01388	2.9
85.02940	16.9
87.00870	5.0
89.02434	60.9
90.93623	1.6
93.03453	4.8
95.01363	3.3
96.96010	8.1
97.02950	2.2
98.19800	2.2
99.00884	8.0
101.02432	37.0
108.02182	3.9
109.02951	3.0
111.00845	1.9
113.02453	19.8
115.03967	2.5
119.03482	19.6
121.02939	2.7
122.03737	2.8
123.04504	4.2
125.02438	4.9
131.03500	6.4
133.02937	7.3
134.03737	10.6
135.04520	14.3
136.01639	25.7
137.02411	5.9
143.03502	3.4
146.03738	1.7
147.03003	3.8
149.02438	7.1
149.04541	4.5
149.06056	3.4
150.03235	17.9
151.03989	45.1
153.09175	2.2
155.10770	5.2
160.05276	2.1
161.02441	24.0
161.04503	14.0
161.05769	2.7
163.04048	2.1
164.04761	5.1
165.05537	20.1
165.09224	2.4
173.04491	7.8
175.03934	2.9
175.07637	4.9
176.04822	6.0
177.05580	5.0
178.02666	3.8
179.03500	11.8
179.05583	11.8
179.07146	4.4
180.04152	3.2
180.49449	1.7
187.03830	1.6
191.05597	3.9
191.07111	6.9
193.05055	13.1
195.06610	15.9
197.08067	2.4
203.03423	1.8
221.04564	3.5
251.05519	3.3
267.06604	1.9
279.06494	2.5
281.06628	7.2
293.08713	1.8
294.08862	3.5
297.11365	3.2
299.30121	1.8
309.11261	3.6
312.09924	2.5
323.07654	3.8
327.12296	23.9
339.12241	9.9
341.09207	5.5
345.15857	28.9
357.13358	8.9
360.12137	2.6
363.16431	2.8
375.14413	15.7
376.22266	1.7
389.12549	2.9
468.45703	1.8
477.19730	100.0
478.19888	5.9
519.14502	3.1
537.14960	7.7
537.22449	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	537.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25401	0.3
59.01381	1.8
60.47261	0.3
61.98826	1.0
66.10646	0.3
69.98395	1.3
71.01381	0.3
78.95893	2.4
79.95731	3.0
84.18517	0.3
96.96002	100.0
96.96882	3.6
152.49077	0.3
181.81230	0.3
184.96535	0.3
303.43127	0.4
316.05502	0.4
367.03299	0.4
411.32806	0.4
501.32300	0.9
504.76450	0.3
537.31989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74122	1.1
59.01369	2.3
61.98825	5.9
73.02936	3.9
75.00873	1.4
86.65029	1.2
89.02444	1.2
96.07952	1.4
99.00885	1.8
99.92572	10.5
115.00342	1.1
116.92847	100.0
116.97241	4.3
117.01947	10.1
117.05551	1.7
117.92873	3.8
132.19978	1.2
168.40886	1.1
170.59213	1.0
233.45088	1.0
262.55157	1.1
333.90549	1.2
448.97119	1.2
455.34622	1.7
494.33453	1.3
537.35114	2.0
538.31421	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03430	1.5
58.00581	1.1
59.01373	24.8
61.98814	0.6
62.27209	0.3
69.03445	0.6
69.37022	2.7
69.37427	0.5
69.59447	0.4
71.01373	20.5
72.99290	1.5
73.02941	2.3
74.85787	0.4
78.10965	0.4
82.95408	1.6
83.01368	2.1
85.02943	11.1
87.00856	1.1
89.02435	15.4
90.02794	0.6
95.01376	3.6
97.02937	0.4
98.19942	1.0
99.00860	1.3
101.02440	11.9
113.02435	20.3
114.02773	0.5
119.03494	4.3
125.02430	0.9
131.03447	0.7
135.00818	0.4
135.04500	1.1
138.61761	0.4
143.03519	0.7
148.82285	0.4
161.02431	0.9
161.04575	0.6
163.03998	0.6
178.82234	0.4
179.03453	0.9
179.05579	0.5
183.13882	0.8
185.11832	0.4
195.06566	0.5
195.13860	6.6
213.14958	4.3
243.06503	0.5
287.12463	0.5
287.22366	0.5
357.19110	1.5
375.15515	0.9
375.20193	13.0
376.20538	1.0
394.97803	0.4
430.56912	0.5
477.30289	0.5
483.94437	0.4
537.25439	100.0
537.31543	4.4
538.18628	0.4
538.25769	8.0
538.33453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03442	1.0
58.00570	1.0
59.01373	24.1
61.98827	1.0
63.30817	0.4
68.22759	0.4
69.03444	0.6
69.91285	0.4
69.98602	2.4
71.01374	19.9
72.99303	1.1
73.02937	2.5
78.45802	0.4
80.39281	0.5
82.95393	2.1
83.01383	2.3
85.02937	12.7
87.00868	1.1
88.93678	0.4
89.02433	12.4
93.03445	0.6
94.23792	0.4
95.01376	3.5
97.03019	0.4
99.00863	1.2
99.04450	0.4
101.02432	11.9
113.02435	18.3
119.03480	3.9
125.02496	0.6
131.03487	0.4
135.04486	1.1
139.60641	0.5
140.54393	0.4
143.03406	0.5
148.31432	0.4
153.09143	0.5
159.69669	0.4
161.02385	0.7
161.04541	1.3
163.03943	1.1
179.03470	0.8
179.05608	0.5
181.05096	0.5
183.13863	0.5
195.13860	6.5
209.08147	0.4
213.14966	4.6
243.06612	0.6
249.02478	0.4
287.22266	0.6
298.07507	0.4
357.19174	1.0
375.20160	12.2
376.20264	0.9
396.16504	0.5
537.25452	100.0
537.31647	4.4
538.25824	8.5
538.33380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2831
Annotation	Vielanin D
Peak:m/z	Relative Intensity
56.87159	4.6
59.01373	81.8
61.98823	100.0
62.45848	5.9
68.99535	7.6
69.35256	34.1
69.35673	14.1
71.01364	24.5
73.02917	6.0
75.00843	16.0
78.95895	15.8
84.95100	8.2
85.02911	9.1
89.02419	23.4
96.96004	27.3
96.96960	7.7
98.19903	12.0
99.00880	5.6
101.02409	18.5
102.92007	6.7
112.98531	8.1
113.02451	13.6
130.08655	6.5
133.02956	9.4
133.48238	5.4
135.04488	19.1
142.34631	6.7
151.04158	6.0
161.02466	28.2
165.09209	7.2
179.03429	14.1
197.11853	7.5
275.28049	5.4
309.20581	21.6
397.22318	6.2
415.23227	9.3
501.30963	18.5
536.71735	5.8
537.29138	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.306
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
55.99476	0.5
59.01371	100.0
60.01756	0.6
61.98826	5.8
69.49545	3.9
70.07490	0.6
78.95851	1.4
83.05033	0.7
88.98804	1.2
95.61758	0.6
96.95975	0.6
99.00857	0.5
115.59274	0.5
125.09692	0.8
171.10239	14.3
205.15933	0.7
209.11777	0.7
211.13412	1.4
221.15520	0.7
231.13878	1.5
233.15501	1.4
249.14931	8.3
263.20099	1.0
308.00412	0.6
358.47028	0.6
385.23868	1.6
403.24918	2.2
449.29391	1.0
459.27502	8.1
477.28467	19.9
478.29080	1.8
488.28366	0.7
537.31195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.98825	3.0
71.32433	0.7
71.32767	0.7
76.22704	0.4
78.67696	0.5
84.00156	0.5
105.79836	0.4
112.30092	0.5
127.19115	0.5
455.35229	100.0
456.35590	8.7
537.35547	88.2
538.35828	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	537.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09428	0.3
59.01360	0.9
61.98824	6.6
70.33353	0.3
94.30132	0.3
95.60622	0.3
98.19904	0.8
116.55946	0.3
116.92810	0.4
120.61416	0.3
121.55563	0.3
139.65503	0.3
322.47800	0.3
439.11542	0.3
455.35223	100.0
456.35568	7.4
537.35535	62.2
538.35986	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	538.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74430	0.7
59.01378	17.5
67.01881	1.6
68.01394	2.2
68.99809	2.8
69.03447	12.1
69.34727	3.6
69.35150	2.9
71.01378	5.0
72.95258	0.7
73.02951	0.9
74.19375	0.7
77.27443	0.7
81.02184	0.8
83.05011	1.4
84.04541	22.2
85.02937	4.3
86.50237	0.7
89.01991	0.8
89.02429	4.5
93.03448	6.6
94.02977	3.0
95.05025	4.0
98.20615	1.8
99.00796	0.7
100.04032	5.6
101.02457	6.7
102.02757	0.9
102.05596	1.6
107.05005	2.0
108.04574	0.9
110.06120	7.6
111.00879	4.6
111.04506	7.4
113.02436	4.5
117.03439	0.7
119.03493	2.4
119.05031	1.6
120.04528	1.3
121.02958	2.7
122.02455	1.9
123.04508	15.4
127.03969	1.6
134.06111	1.5
135.04509	8.9
136.04846	3.2
136.07658	1.6
137.01262	3.4
137.02304	3.5
137.06068	1.1
138.01961	1.7
139.00380	0.9
139.03989	0.9
142.08696	1.7
145.02924	1.7
147.04446	0.8
149.02411	2.0
149.06087	1.2
151.03967	1.1
152.03519	100.0
153.03831	1.0
153.04163	1.1
153.05554	16.7
153.09233	2.4
154.05032	5.4
155.03470	1.1
161.02434	3.4
162.05600	1.9
163.04019	7.1
164.04367	2.8
164.07079	1.0
165.05536	1.2
166.05081	1.3
168.06630	1.6
177.05515	5.2
178.04912	0.9
179.03497	3.6
179.05536	1.1
180.03813	0.8
180.06679	4.1
180.10266	1.5
186.07695	14.3
188.03455	1.1
189.01880	1.4
190.02399	0.7
194.08249	2.2
195.06602	2.4
196.06177	1.2
197.08160	2.4
206.04616	0.8
207.02963	1.8
215.09315	1.6
216.09598	1.2
220.06294	0.9
221.04515	3.7
222.04877	2.4
224.09200	1.0
238.07170	26.0
239.07541	1.3
249.07686	2.9
273.07632	7.1
275.05807	0.7
275.09109	3.6
281.06360	0.9
282.09848	2.4
300.10999	1.0
306.09808	1.3
307.08191	2.1
315.08743	2.5
324.10800	2.3
333.09644	1.0
342.11996	2.0
343.08249	2.4
344.08688	2.6
358.10211	1.6
366.12073	0.8
375.10599	1.4
376.11197	3.2
377.12164	2.3
384.13065	1.5
392.13385	4.7
404.13528	3.2
418.15173	2.2
436.16019	24.0
437.16266	1.1
460.16205	4.0
478.17062	17.1
479.17325	1.3
520.18280	7.2
537.32477	1.4
538.19257	15.8
538.32745	1.4
539.17926	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47643	0.9
53.63855	0.7
56.63702	0.8
57.03428	1.5
58.00573	3.4
59.01370	100.0
66.45499	0.7
67.01871	6.3
68.90388	0.7
68.99810	22.1
69.03445	25.0
69.29063	7.7
69.29408	1.4
70.42112	0.7
71.01372	49.8
72.99275	3.1
73.02919	1.5
80.48033	0.7
83.01374	1.9
84.46385	0.8
85.02950	8.5
87.00849	2.8
89.02433	62.8
95.01377	7.5
95.05013	80.7
96.05310	1.7
98.19827	1.5
99.00890	4.0
99.04500	2.6
101.02428	54.7
102.02814	0.9
111.00864	49.6
111.04481	2.8
113.01688	1.6
113.02435	26.6
113.03230	1.5
114.02845	0.9
119.03489	20.3
119.04861	1.4
121.02942	29.8
121.06548	1.9
123.04489	5.4
125.02412	2.5
127.03126	1.3
127.03994	20.4
131.03473	3.0
137.06061	2.0
138.99278	1.4
139.00356	30.6
139.03990	38.3
140.04337	1.2
143.03482	5.9
147.04498	13.4
149.02417	59.6
149.04359	1.8
150.02727	1.6
153.05565	6.0
158.84894	0.8
161.04527	4.3
161.05769	0.9
163.03984	1.2
165.05505	3.6
171.02921	2.2
173.10368	0.9
179.05562	14.6
179.07094	3.6
181.05017	1.7
191.03461	8.0
195.06514	4.7
197.08092	3.0
209.04460	3.0
223.06070	24.1
241.06824	1.0
248.15564	0.8
275.05634	14.4
275.09180	91.0
276.06149	1.3
276.09537	3.1
307.08176	81.3
308.08395	4.6
327.08533	6.7
345.09747	13.7
359.11609	1.1
371.09720	1.9
377.12344	59.1
378.12555	4.0
403.12344	11.7
404.13278	1.1
437.15125	1.3
469.13849	1.8
507.15335	1.3
539.17566	36.7
540.17847	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	539.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00159	0.7
55.01857	1.3
56.95018	0.7
57.03438	3.7
59.01373	29.5
62.24078	0.8
62.70400	0.6
65.00328	0.9
65.03952	1.6
67.01877	10.8
68.99807	49.4
69.03481	1.0
69.25369	6.9
71.01372	11.9
72.99306	1.3
81.03448	3.3
83.01382	1.6
83.05018	4.2
85.02941	17.6
87.00842	4.1
89.02431	14.9
93.03446	13.8
95.01403	4.2
95.05045	1.1
99.00867	0.8
99.04475	1.0
101.02430	100.0
102.02747	1.4
105.03473	0.8
107.05004	3.2
109.02950	7.4
111.00872	28.5
111.04505	29.2
112.04860	1.0
113.02439	7.7
119.03493	5.6
119.05008	2.5
121.02919	4.9
123.04502	2.1
124.93012	0.7
125.02427	6.8
127.03995	28.8
133.02937	1.2
135.00888	7.0
135.04488	5.2
137.02420	9.3
137.06055	10.9
138.06483	1.0
139.00371	13.9
139.03981	2.3
143.03485	5.5
149.02423	1.8
151.04012	3.1
153.01883	6.0
155.03500	3.0
161.02380	1.8
163.04027	3.9
165.01913	1.4
165.05551	1.7
169.05037	2.1
171.02956	9.7
175.04034	1.0
177.01933	2.4
177.05551	1.4
179.03465	4.3
179.05569	2.8
179.07008	1.7
181.05086	3.5
193.04984	0.9
195.06602	3.4
197.04527	2.1
207.02948	3.1
207.06641	1.4
211.06114	2.1
213.07628	1.4
238.67709	0.9
239.05588	8.7
275.09207	44.7
276.09531	3.1
291.08694	59.9
292.08990	3.6
317.10046	1.0
345.09808	4.7
359.11292	6.9
360.11932	1.1
375.06329	0.9
377.12347	89.7
378.12738	6.3
419.11932	2.2
539.17883	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	539.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.2
61.98824	7.0
67.77876	1.2
71.01376	5.9
71.61597	1.3
71.62000	1.5
78.82367	1.1
89.02409	5.2
101.02367	4.8
109.02882	2.3
112.21542	1.1
113.02409	2.7
125.02422	2.8
127.03889	1.5
133.02959	6.2
134.03664	1.6
135.04517	45.2
137.02359	2.4
149.04520	1.5
149.05965	10.4
153.09195	100.0
154.09502	2.1
161.01132	2.5
161.02415	44.5
165.05511	1.3
168.00493	1.7
177.05533	17.2
179.03473	65.3
195.06473	1.4
197.08167	82.8
198.08440	3.0
221.04514	31.1
251.05547	26.1
252.05746	1.8
281.06622	53.3
293.08597	4.5
323.07401	2.2
341.08698	62.6
342.08838	2.5
377.14609	12.0
539.17395	41.5
540.17627	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	539.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96968	1.2
58.00575	3.8
59.01374	75.8
61.73512	1.2
62.34074	1.3
67.01881	14.8
68.99811	19.4
69.03101	2.3
69.03450	34.9
69.75188	7.0
71.01374	43.9
72.99281	1.8
73.02937	2.8
83.01390	3.0
85.02933	8.0
87.00867	3.0
88.31280	1.3
89.02433	55.7
95.01372	8.3
95.05015	62.6
97.58969	1.6
99.04525	3.4
101.02431	46.8
105.03516	1.3
111.00867	73.5
113.02428	24.2
116.76199	1.4
119.03490	21.0
119.04969	4.4
121.02943	100.0
121.06579	5.4
123.04514	29.5
125.02406	1.5
127.03997	23.2
131.03458	2.9
133.02882	1.6
135.04497	14.4
135.08257	1.8
137.06027	3.9
139.00362	45.3
139.02986	1.9
139.03998	19.0
143.03436	5.9
147.04503	9.9
149.02426	32.3
149.04393	2.3
149.06033	3.6
153.05556	11.5
153.09192	24.8
161.02403	11.1
161.04510	4.6
163.04030	1.6
165.05547	17.5
171.02937	3.2
177.05516	5.5
179.03455	17.7
179.05562	24.5
179.07082	7.0
181.05093	3.8
191.03508	6.6
195.06503	2.5
197.08159	26.8
209.04474	4.5
221.04549	9.4
223.06085	28.9
228.18129	1.3
228.75758	1.3
241.07153	1.8
251.05571	9.3
275.05579	19.1
275.09198	43.5
276.09558	2.1
281.06647	14.9
299.11273	1.7
307.08173	74.7
308.08521	4.4
327.08643	3.6
340.67609	1.4
341.08698	16.7
345.09552	6.5
359.11371	3.7
371.09778	21.1
377.12265	23.3
403.12399	18.6
469.13412	1.8
492.64420	1.4
538.50146	1.3
539.17603	95.7
540.17889	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	539.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17269	0.2
55.96466	0.3
59.01373	5.6
61.98821	4.0
69.77495	0.3
71.01370	1.0
71.61660	0.4
73.28449	0.3
78.95893	3.3
79.95731	3.0
83.04993	0.3
85.02916	0.3
85.05573	0.3
89.02449	0.4
95.04979	0.4
96.96000	100.0
101.02444	0.7
113.02436	0.4
113.92563	0.3
114.93398	1.1
115.00346	0.4
135.04509	0.4
135.84752	0.2
137.06042	0.5
152.99608	0.3
161.02423	0.5
161.04564	0.3
179.03503	0.5
183.10146	0.3
207.02066	0.3
248.06976	0.2
420.15967	0.3
453.18024	1.4
503.33365	0.6
538.42126	0.3
539.15961	0.3
539.25195	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	539.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
58.00567	2.8
58.52012	1.2
58.57660	1.2
59.01369	65.9
59.73305	1.3
61.98811	2.9
65.73294	1.2
67.01876	1.6
69.03432	2.9
69.44081	5.6
69.44517	5.6
70.96783	1.2
71.01370	77.3
72.99282	5.0
73.02929	31.8
75.00855	2.5
76.07090	1.2
83.01382	5.8
85.02937	12.6
87.00864	3.8
89.02430	100.0
93.03458	3.7
95.05013	1.7
96.95989	17.9
97.02946	3.3
98.19894	2.5
99.00866	60.0
99.04494	2.9
101.02431	47.8
107.08624	1.6
109.06569	4.0
111.00842	2.6
113.02416	13.8
115.03921	1.5
119.03482	5.2
119.05011	1.6
121.02934	6.1
121.06581	13.0
125.02408	7.2
131.03476	17.0
133.02919	1.9
133.06548	4.0
135.04503	3.9
135.08154	1.4
137.02470	1.7
139.14627	1.3
143.03462	2.7
149.04536	42.4
150.03229	1.6
151.03973	3.2
151.07617	14.6
152.07855	1.4
158.49466	1.3
161.04517	4.9
161.05911	1.4
164.04747	2.8
165.05554	6.5
165.09183	1.9
167.48817	1.3
173.04443	2.8
177.05515	3.7
178.53323	1.3
179.05609	1.3
179.07089	2.9
181.04982	1.3
183.06493	2.3
191.05580	17.7
195.06639	1.9
205.07050	1.7
221.06580	1.7
233.06485	1.9
243.06866	1.4
251.07619	2.5
313.13040	2.8
365.17300	2.0
377.15628	4.5
412.92383	1.5
445.17233	4.2
463.18011	4.7
477.15100	1.9
489.16003	6.9
503.13846	2.3
507.17313	9.3
509.11899	2.2
509.18805	33.0
510.18338	1.8
521.18658	90.4
522.19104	5.4
539.19739	81.5
540.20215	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01367	5.3
61.98820	2.1
69.03443	5.3
71.01370	6.9
72.99274	0.4
73.02928	0.4
75.00870	0.6
83.01352	0.7
85.02932	8.0
87.00890	0.5
87.04520	0.8
89.02436	3.7
94.11251	0.4
95.01381	1.9
96.96014	1.2
97.02937	13.9
99.00884	1.1
101.02430	2.7
108.02198	0.4
113.02431	7.6
115.04023	1.2
119.03465	0.8
121.02937	1.1
122.03727	1.0
123.04520	0.9
123.29236	0.4
125.09731	0.5
131.03500	0.9
134.03645	0.4
137.02461	0.6
141.09201	0.5
143.03497	0.7
149.02405	0.8
150.03177	0.8
150.12935	0.3
151.03957	1.0
151.28487	0.4
153.09190	64.4
154.09534	1.8
155.10786	2.4
159.02968	17.2
159.28067	0.3
159.59950	0.4
161.02472	0.7
161.04523	1.1
165.05557	1.3
167.03528	0.5
169.08743	0.4
171.10242	0.5
175.03854	0.4
177.01886	0.7
179.05617	0.8
179.07135	1.0
181.07201	1.2
193.05067	0.5
195.06696	0.5
197.08157	100.0
198.08496	3.6
199.09724	1.3
209.04373	0.4
215.09222	6.0
220.16580	0.4
269.08264	0.5
311.09015	0.6
347.13281	0.7
347.17148	0.6
357.11838	24.1
358.12259	1.3
359.11450	0.5
476.39395	0.4
479.21265	3.2
531.32367	0.4
539.20209	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	539.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
58.00546	1.0
59.01373	65.4
61.98817	3.6
69.03453	1.5
69.44485	6.3
71.01372	8.2
73.02933	7.0
82.95393	4.7
83.01389	5.3
84.43234	0.7
85.02949	3.6
85.40153	0.7
86.84074	0.8
87.04504	1.1
88.98779	1.1
89.02432	5.7
93.03443	1.8
95.05025	3.0
97.02945	1.1
101.02427	7.3
103.03221	0.9
107.05016	80.5
108.05358	2.0
111.00870	2.9
113.02431	4.4
119.03519	1.4
119.05000	5.3
121.02937	4.4
123.04492	4.2
125.06055	1.1
127.04002	1.2
135.04517	2.3
135.08157	1.9
139.00352	1.6
139.03951	1.0
139.11278	15.7
140.63853	0.8
143.03505	1.6
149.02425	2.3
149.04454	0.7
149.06035	1.3
151.03986	17.4
151.11284	0.9
153.09200	5.4
161.02390	1.7
161.04497	1.3
163.11177	1.1
165.05542	1.3
165.09178	1.3
169.12349	2.2
179.03519	2.1
179.05602	0.9
179.07114	1.9
179.10753	1.7
181.12343	7.4
183.10233	23.1
194.08189	1.2
195.06627	8.3
197.08116	8.3
197.11778	1.5
215.09244	6.5
223.06207	1.2
225.11288	12.6
231.10201	1.4
243.12311	7.0
244.12265	0.9
263.12967	1.0
267.12369	1.2
273.08038	0.8
275.09286	2.3
281.06622	1.0
281.10263	1.7
281.85745	0.8
282.11343	1.4
291.12509	2.4
291.16101	3.0
299.11377	4.1
300.12262	5.4
307.08228	3.8
309.13583	0.9
327.14471	1.6
340.28912	0.8
375.18118	0.9
377.12112	1.5
387.16428	4.0
403.12555	1.2
477.21140	2.3
479.19159	2.4
495.22275	11.2
521.20404	1.9
539.21356	100.0
540.21918	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	539.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20134	4.1
53.27407	3.9
57.03434	4.7
59.01379	43.9
61.98816	27.6
71.01375	33.8
73.02934	10.1
75.00875	6.1
83.01337	5.9
85.02935	12.5
87.00874	4.6
88.98774	29.3
89.02435	33.5
93.03440	6.4
98.19875	12.3
99.00884	8.9
101.02425	31.8
107.08637	6.5
108.02168	10.2
109.02960	11.5
113.02422	14.2
116.29483	4.6
117.03445	6.5
119.03487	4.6
119.04997	13.7
123.04485	7.1
131.03476	8.1
133.02940	26.0
135.04492	66.3
139.07626	27.8
145.02922	21.1
145.78531	4.7
149.04558	32.7
149.05605	4.9
149.05978	3.9
151.07613	15.3
152.01099	9.6
153.01917	19.0
153.09166	6.1
158.20677	4.6
161.02426	100.0
161.04521	7.9
161.05980	5.7
162.02795	7.3
163.04030	10.2
169.08646	4.8
173.04556	10.3
179.03468	13.8
179.05182	3.5
191.05566	6.9
213.07681	51.3
251.07544	6.1
266.30136	4.4
293.08731	4.2
357.15262	7.1
375.12830	5.1
377.14127	5.0
393.14026	9.7
477.13913	59.2
495.17752	7.5
503.25043	15.8
539.14758	25.4
539.23584	73.4
540.22888	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	539.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50360	0.1
55.55017	0.2
63.11648	0.2
71.38737	0.2
74.82151	0.2
78.95895	3.1
79.95728	3.2
96.95996	100.0
96.96883	4.8
98.20671	0.3
129.12102	0.2
152.41768	0.2
173.77486	0.2
256.54727	0.2
277.21725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42685	0.8
56.62466	0.8
59.01374	9.2
59.31033	1.0
61.98827	11.2
62.21019	0.8
64.34096	0.8
69.27899	7.1
71.01366	4.4
73.02927	0.8
81.17249	0.8
85.02915	1.0
88.34743	0.8
89.02448	4.1
101.02443	3.2
106.58904	0.8
113.02437	3.1
118.23663	0.8
119.03484	1.8
119.05058	0.8
123.04543	3.8
132.02144	1.1
133.02948	20.6
135.04503	13.1
135.19943	0.8
145.02922	1.6
149.04501	1.5
153.05556	2.8
161.02422	100.0
162.02773	3.7
163.03998	2.4
174.11945	0.8
177.05522	1.3
179.03473	4.2
196.93819	0.8
221.04532	1.1
315.10852	3.6
316.11111	0.9
422.96133	0.9
477.13953	74.9
478.14444	6.0
496.19266	1.1
522.17572	1.2
540.17712	3.6
554.33148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13135	0.6
59.01372	100.0
61.98827	2.2
67.63923	0.6
69.23022	6.6
71.01363	3.3
71.61694	0.7
73.02947	1.1
73.51581	0.7
78.95905	3.4
82.49765	0.6
82.95390	0.8
83.01367	0.8
85.02953	1.1
89.02431	2.6
93.03443	9.7
100.82244	0.7
101.02419	1.7
107.05020	5.3
108.05358	0.8
113.02430	1.2
119.05014	32.8
120.04536	1.7
120.05341	1.1
121.02880	0.7
123.04521	5.8
124.04039	2.2
131.03781	5.1
132.04552	1.3
134.06105	2.0
135.04526	7.3
136.07646	0.8
137.06026	1.3
139.11270	2.1
144.04546	1.2
146.06120	3.0
149.06068	5.9
150.05556	3.2
151.03983	1.2
152.07153	2.8
153.05573	4.9
155.10825	1.3
161.02431	1.0
162.05540	2.3
163.03923	0.9
164.07108	2.2
166.67183	0.7
170.06044	0.7
176.07141	3.1
178.08719	6.5
179.05751	1.1
180.06630	2.5
181.12318	0.9
183.10208	2.0
188.06987	0.8
194.08197	6.2
195.06599	69.5
196.07124	1.5
196.09698	1.5
197.08211	1.1
198.09125	0.9
214.05234	0.8
223.06099	1.5
224.06970	2.0
225.11263	2.1
228.06596	2.7
230.08167	0.9
240.10281	1.4
241.07356	0.9
243.12210	0.9
249.07816	1.3
250.08743	2.0
256.09763	3.3
260.78857	0.7
266.11826	0.9
268.09747	1.3
272.12906	1.8
282.11340	12.2
284.12598	1.2
297.09799	1.3
298.14447	1.9
300.12366	46.4
301.12665	2.6
316.11835	1.0
339.92603	0.7
342.13242	2.6
360.14493	5.5
389.71783	0.6
481.20615	1.9
499.21158	1.1
522.17773	0.8
523.21570	1.3
540.18555	30.7
541.23218	20.3
546.88995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33049	0.7
55.01897	0.9
57.03451	0.7
59.01373	100.0
61.98823	27.8
62.39485	0.7
68.01435	1.0
69.03461	0.8
71.01373	6.7
72.99312	1.9
73.02946	1.5
74.47678	0.6
83.01390	1.4
83.05006	0.9
84.95122	0.9
85.02952	2.0
87.00870	0.9
88.98788	1.1
89.02434	2.3
91.05537	1.4
93.03467	2.1
95.04974	0.8
96.62249	0.8
96.96025	0.8
99.00854	0.7
100.03994	0.8
101.02447	5.0
102.05593	1.4
103.47336	0.7
106.06611	0.7
111.00905	1.7
111.04512	1.1
113.02423	2.3
116.05036	0.8
118.06590	3.7
119.05016	2.1
120.04538	4.3
120.05331	0.7
121.02933	1.0
122.02467	2.8
123.04512	3.8
124.04022	1.2
124.08300	0.7
125.02440	0.9
132.04521	1.2
134.02492	1.5
134.06062	0.8
135.04489	3.6
136.03993	0.8
137.02402	0.9
138.05612	3.1
146.06100	1.2
147.03416	0.7
147.04494	3.7
148.03931	0.9
149.02455	1.4
150.05606	1.3
151.03979	2.1
152.01007	1.0
152.07114	1.8
153.05598	2.3
153.09218	3.4
154.09586	0.7
155.34039	0.7
158.80554	0.7
161.02437	1.8
161.04483	1.7
162.05606	1.5
163.03998	1.2
164.03523	4.0
164.04749	1.1
164.07162	4.7
164.08316	0.8
166.05074	9.6
167.03432	1.1
173.04506	1.8
176.07127	1.2
178.05119	2.7
179.03488	1.6
179.05859	29.4
180.06409	1.0
180.08173	1.0
191.05704	0.8
194.08070	1.1
195.06604	59.1
196.05981	0.7
197.08206	4.6
198.08563	1.3
208.07648	2.2
210.09320	1.0
214.08661	2.8
215.09262	0.8
223.06076	1.5
224.06348	0.7
224.10741	1.3
238.08720	1.5
239.05458	0.7
240.10252	6.6
252.10182	2.1
256.13434	1.0
266.11716	0.9
268.09714	1.8
270.11310	28.0
271.11530	1.7
280.13217	1.0
282.11411	1.7
298.14273	0.8
300.12372	5.0
307.08057	1.4
314.10281	23.2
315.10532	1.3
342.13385	0.9
344.11115	3.5
360.14627	6.5
479.32169	6.9
480.32446	8.6
482.78546	0.8
504.18683	2.6
540.18506	29.0
540.32043	1.8
541.19141	2.9
541.33240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17031	0.4
59.01374	3.9
61.53944	0.5
61.98825	100.0
71.01371	1.6
71.61705	0.8
78.95893	2.5
79.45036	0.4
89.42355	0.6
96.96013	0.6
96.96979	0.5
97.24012	0.5
101.02394	0.8
113.02438	0.6
119.59951	0.5
145.02905	0.7
161.04594	0.8
174.95992	0.5
221.06619	2.7
249.84901	0.7
263.20193	1.5
326.34048	0.6
328.04712	0.5
486.33188	1.3
488.27652	0.7
505.27936	0.8
508.14490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30634	0.2
54.57787	0.2
59.01370	3.5
60.01697	0.2
61.98822	100.0
70.77629	0.3
70.77956	0.2
71.01376	0.4
78.95920	0.4
83.01424	0.2
83.25733	0.2
85.02960	0.2
89.02454	0.2
93.03498	0.2
96.95987	2.6
101.02444	0.4
104.13209	0.2
113.02458	0.2
119.04983	0.3
137.06177	0.2
161.02438	0.3
201.74846	0.2
313.23840	0.3
479.55466	0.2
504.34146	0.5
505.35651	0.3
540.18744	0.2
540.25336	1.0
541.26410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.33
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
76.69350	0.5
78.95925	0.6
82.18994	0.5
98.20744	0.8
112.55972	0.5
152.99606	1.9
200.36311	0.6
203.50598	0.6
211.98936	0.5
255.03195	0.5
255.23175	2.9
274.57904	0.5
303.16086	0.6
455.35196	18.5
456.35605	2.6
466.95032	0.5
483.26877	2.8
516.79681	0.6
540.32959	83.3
541.33234	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	540.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86998	0.3
53.79002	0.2
61.98822	100.0
71.38709	0.5
86.08972	0.3
103.43996	0.3
157.74600	0.3
254.52856	0.3
265.68701	0.4
455.35193	7.6
456.35617	0.8
540.32971	67.6
541.33307	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	541.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50455	3.2
59.01372	100.0
62.19284	3.1
62.78676	3.6
65.05058	3.7
69.03465	15.7
69.70654	8.3
69.71067	12.6
71.01379	62.3
71.55081	3.2
72.99297	4.1
73.02914	4.6
82.95428	3.0
85.02942	12.5
88.98738	3.6
89.02433	98.5
93.03452	6.8
95.01382	6.5
95.05011	5.5
96.96001	56.5
96.96622	4.7
96.96915	5.0
99.04490	3.3
101.02428	33.9
102.90465	3.0
107.05019	61.2
109.06546	6.0
113.02456	26.7
119.03503	34.9
119.04995	43.0
121.02940	24.3
123.04498	4.5
124.01041	3.1
133.02911	11.1
133.25644	3.8
135.04459	17.4
136.01692	5.2
137.02390	5.3
137.06073	99.5
139.00317	3.3
139.04019	9.0
143.03481	6.4
149.02388	3.4
149.04538	7.0
150.03236	5.6
151.03987	14.6
153.01741	3.2
153.05556	6.4
155.07127	10.0
161.02419	31.3
161.04515	9.2
163.03963	22.8
165.05525	14.1
166.02632	5.0
179.03419	7.9
179.05602	37.9
181.05034	66.0
195.06595	8.8
209.06149	4.2
213.05591	6.5
237.05530	7.5
241.05057	26.6
252.07843	10.5
253.05038	9.5
253.08606	5.1
255.06677	10.0
256.07343	17.2
260.06769	3.5
268.07404	6.8
270.08963	11.3
271.09726	36.5
283.09726	20.8
299.09201	10.9
301.10712	10.9
317.10193	18.9
335.11194	4.4
405.10400	16.7
443.19952	3.9
477.40729	3.7
481.23239	3.4
505.15436	35.5
541.15344	50.4
542.15540	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	541.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.38005	2.3
61.98824	38.8
69.03448	9.1
70.93808	4.3
70.94149	4.0
71.01368	56.5
72.99295	6.0
73.02935	4.3
79.05522	2.3
81.03442	3.7
83.01421	2.4
84.73260	2.0
85.02939	11.7
87.00871	6.8
89.02432	93.6
89.76427	1.8
91.05552	3.7
93.03455	6.9
95.01375	5.9
96.96002	4.6
101.02430	31.3
107.05023	41.5
109.02950	5.8
109.06580	5.6
111.00870	3.2
111.04504	3.7
113.02430	23.4
119.03492	36.7
119.05002	20.2
121.02958	11.8
123.04487	4.2
131.03467	5.9
135.04485	3.1
137.02428	2.8
137.06068	59.7
138.06339	2.7
139.00325	2.8
139.03990	5.7
143.03464	9.2
149.04526	7.6
153.05553	7.8
155.07109	4.8
157.44913	2.0
161.04538	11.2
163.03990	16.4
165.05614	3.2
179.05594	44.1
181.05057	36.3
199.06100	3.4
213.05516	11.0
223.05905	4.6
240.04178	7.4
240.07910	2.8
241.05046	49.7
255.06607	15.4
256.07361	31.2
270.08969	12.0
271.09717	47.9
272.09967	3.3
273.07578	2.9
286.06821	2.5
299.09213	7.1
301.10822	13.7
317.10110	13.8
361.09052	2.3
405.10257	9.9
436.68985	2.1
481.22644	3.5
541.14679	27.5
541.21619	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	541.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	0.3
58.45448	0.2
59.01084	0.5
59.01371	5.7
65.46626	0.2
69.59222	1.5
70.94930	0.2
71.01377	3.7
73.02942	1.3
79.67319	0.2
85.02947	0.7
87.00848	0.2
87.59801	0.2
89.02434	5.0
89.03977	0.5
89.15524	0.2
91.05556	0.2
93.03455	0.4
96.14792	0.2
98.19893	0.5
99.00861	1.5
101.02428	1.7
105.03423	0.3
106.04238	0.5
107.05032	2.2
113.02447	0.9
117.03471	1.2
119.03466	0.7
123.04524	0.5
127.27988	0.2
128.12683	0.2
131.03453	0.4
132.02135	0.8
133.02943	18.1
134.03737	7.2
135.04509	100.0
136.04826	1.9
137.61504	0.2
149.04626	0.4
153.05574	0.6
154.05888	0.3
155.65065	0.2
161.02426	50.2
162.02751	1.3
179.03477	58.5
180.03815	1.8
191.05537	0.4
379.15872	0.3
541.19196	71.8
542.19501	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	541.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14010	0.1
57.03448	0.2
58.00584	0.3
59.01371	6.0
61.98815	0.4
62.26493	0.1
65.03951	0.1
70.35152	0.2
70.35555	0.2
71.01376	4.4
72.99312	0.3
73.02944	1.4
77.03979	0.1
79.05524	0.2
83.01399	0.2
85.02917	0.7
87.00869	0.1
89.02435	5.2
89.03946	0.4
91.05537	0.6
93.03454	0.3
95.01357	0.2
95.05051	0.2
99.00871	1.8
99.04504	0.1
101.02431	2.2
105.03455	0.3
106.04212	0.3
107.05026	2.1
108.02181	0.2
109.02953	0.2
113.02445	1.1
115.01844	0.2
115.03993	0.2
117.03454	1.6
119.03491	1.2
123.04515	0.7
124.04819	0.2
124.32281	0.1
125.02463	0.3
131.03436	0.4
132.02144	1.1
133.02942	20.0
134.03741	7.0
135.04507	100.0
136.04828	2.3
137.02408	0.4
149.04536	0.5
153.05582	0.5
154.05945	0.2
155.39949	0.1
161.02422	52.8
162.02744	1.6
167.03427	0.2
179.03470	59.6
180.03831	1.9
183.10268	0.2
191.05614	0.6
197.08206	0.2
242.66043	0.1
286.96609	0.1
379.16309	0.2
506.45917	0.1
541.19171	70.5
542.19507	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	541.2285
Annotation	6'-O-Menthiafoloylmussaenosidic acid
Peak:m/z	Relative Intensity
50.72721	0.6
50.96927	0.5
52.18246	0.6
53.36509	0.6
54.68345	0.6
55.01859	0.8
57.03435	2.2
58.00598	1.2
59.01374	39.4
60.01702	1.6
60.33912	0.6
61.98820	4.7
69.03447	1.0
69.38757	0.6
71.01372	11.5
71.43250	1.2
73.02943	3.1
74.45490	0.6
78.95913	0.8
80.67654	0.6
82.95413	2.5
83.01369	1.7
84.21384	0.6
84.56934	0.6
85.02945	4.9
87.00866	1.5
87.04534	1.2
88.98793	0.7
89.02437	5.8
93.03463	1.8
95.01382	1.5
99.00864	0.8
101.02441	6.1
107.05013	3.6
108.05348	1.5
113.02432	8.1
119.03493	2.4
119.05022	5.2
120.05322	1.4
123.04504	4.5
127.07624	0.8
131.03586	0.7
132.04137	0.7
133.02937	0.8
134.03720	0.9
135.04510	28.8
136.04837	1.0
139.11269	9.4
140.01140	0.6
146.06021	0.7
149.06120	0.7
151.11359	1.0
153.05527	3.4
157.21701	0.6
161.02444	1.5
161.04608	0.9
162.40485	0.6
163.11230	0.8
165.09192	1.2
169.12335	2.5
176.07193	0.8
178.08672	0.8
179.03322	0.9
179.09230	1.0
179.10799	1.9
181.12317	7.0
183.10257	10.0
192.23862	0.6
194.08276	0.7
195.06610	9.8
195.08316	1.1
195.13937	2.4
196.06920	4.7
197.08310	0.8
197.11856	2.0
199.13289	1.0
225.11299	10.3
226.11714	0.7
227.12953	0.8
236.24142	0.7
241.14307	0.8
243.12225	3.8
246.07303	0.7
248.95981	0.6
269.10205	0.6
282.11328	1.2
283.11688	1.0
285.13422	1.7
297.09747	11.9
298.10016	0.7
300.12393	3.7
301.12680	5.0
315.10855	6.5
449.09000	0.7
452.77362	0.7
481.20602	8.1
482.21170	0.8
523.21863	8.8
541.22931	100.0
542.23450	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	541.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49584	1.8
59.01376	51.4
61.98809	5.4
69.03452	4.1
70.94709	4.5
71.01375	44.0
73.02946	10.7
78.95914	3.6
83.01387	2.7
85.02937	8.6
87.00903	2.1
89.02434	71.2
93.03448	3.7
95.05022	2.2
99.00877	22.5
101.02439	27.4
104.88498	2.2
107.05008	6.0
109.02992	2.3
113.02441	10.8
115.04026	2.7
119.03490	9.1
119.05013	4.9
121.02931	4.9
125.02431	3.6
131.03502	10.2
133.02925	2.3
135.04536	4.6
137.02429	5.1
137.06091	10.0
142.66612	2.2
149.04536	36.5
150.03171	3.5
161.04543	2.6
163.04039	3.6
164.04794	1.8
165.05536	4.4
179.05658	4.1
181.05057	6.8
191.05550	12.1
195.06612	3.0
207.78758	2.0
232.57175	2.1
251.07721	3.9
299.09375	2.2
311.09695	2.5
317.10330	4.3
331.47421	2.2
349.18600	3.4
416.99118	2.3
481.22827	100.0
482.23108	7.6
505.16101	2.1
534.94940	2.2
541.15613	7.8
541.22479	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03435	0.8
58.00595	0.9
59.01374	44.4
61.98827	5.7
64.79588	0.3
69.03450	1.1
71.01375	25.0
71.61211	0.4
72.99310	2.3
73.02938	17.7
75.00877	0.5
78.95914	0.5
83.01378	6.5
85.02943	5.4
87.00866	3.1
89.02440	7.2
93.03493	0.4
94.01352	0.3
94.13564	0.3
95.01389	1.2
95.21793	0.3
96.95987	2.6
97.02956	0.9
99.00880	1.1
99.04542	0.4
101.02430	17.8
111.00904	0.5
113.02436	7.2
119.03490	2.0
122.39864	0.3
125.02441	1.4
131.03490	0.4
135.04445	0.4
143.03525	0.7
149.04683	0.4
151.80902	0.3
161.02472	0.5
161.04546	0.9
172.45329	0.3
179.03395	0.4
190.40430	0.3
213.31474	0.3
231.21252	0.4
263.20132	0.9
270.85080	0.3
275.20120	8.1
276.20663	0.6
293.21188	6.9
314.02740	0.3
379.15512	0.6
379.93222	0.3
433.94315	0.3
437.25394	8.2
438.25699	0.8
455.26440	19.8
456.26877	1.6
479.26263	0.6
497.27490	100.0
498.27835	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	541.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.4
61.98818	1.6
68.99509	0.4
68.99821	4.7
69.42947	2.5
78.95918	2.8
79.95741	2.8
81.88593	0.4
87.00867	0.5
96.96001	100.0
96.96882	3.7
98.19946	0.8
110.02457	0.5
198.32970	0.4
264.15173	0.3
279.23306	0.4
280.29065	0.4
310.18301	0.4
310.68124	0.3
328.33328	0.4
453.33414	1.5
470.68256	0.4
471.34818	3.2
503.27567	0.6
520.91675	0.4
541.35223	16.9
542.35590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.268
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51939	0.2
71.38223	0.3
79.95727	2.9
96.95998	100.0
97.95884	0.2
105.01894	0.3
127.39567	0.2
178.44717	0.2
187.13351	0.2
197.08205	0.2
235.53908	0.2
251.01132	0.2
266.73782	0.2
354.98285	0.2
493.84982	0.2
541.26770	47.8
542.18610	0.2
542.27106	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	541.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08813	0.1
58.00616	0.2
58.02552	0.2
59.01376	1.6
61.98821	0.5
68.54342	0.1
70.04588	0.6
70.04953	0.2
71.01369	0.6
79.95739	2.4
80.71777	0.2
85.02940	0.2
87.49522	0.1
89.02442	0.4
95.25750	0.2
96.96001	100.0
97.95977	0.2
97.96645	0.2
98.20618	0.2
101.02431	0.3
105.01926	0.6
113.02427	0.1
119.03454	0.2
121.01201	0.2
138.96977	0.2
153.09198	0.2
197.08154	0.3
237.14809	0.1
239.96811	0.1
279.49939	0.1
361.20447	0.6
379.21924	0.2
534.37708	0.2
541.26801	54.6
542.27136	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	541.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52382	0.2
52.84269	0.2
59.01372	1.0
61.42061	0.2
61.98823	6.9
70.29288	0.2
71.01369	0.4
71.62769	0.3
77.30648	0.2
79.95729	3.3
89.02449	0.3
96.95999	100.0
97.95959	0.3
105.01868	0.5
123.00867	0.2
124.01641	0.5
129.01317	0.2
129.37265	0.3
135.04524	0.5
139.04051	0.3
153.09181	1.7
161.04507	0.2
163.03993	0.3
166.99873	0.4
171.10216	0.4
179.03529	0.3
181.04979	0.2
197.08153	2.2
215.09186	1.6
246.87001	0.5
290.19748	0.3
494.32590	0.2
505.33447	0.7
541.26581	45.2
542.26984	3.3
555.80573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
59.88437	0.1
61.98823	100.0
66.14049	0.1
68.62646	0.1
70.37626	0.1
70.93258	0.3
71.01381	0.6
72.01689	0.2
85.02950	0.2
89.02460	0.3
99.05628	0.1
101.02432	0.3
113.02429	0.3
119.03486	0.1
121.06634	0.1
122.27287	0.1
123.99484	0.1
128.03534	0.1
133.02959	0.2
135.04463	0.3
161.02409	0.2
173.05649	0.1
179.03404	0.2
183.06633	0.1
183.60393	0.1
227.06783	0.1
235.76074	0.1
279.51099	0.1
330.82449	0.1
336.08676	0.4
347.17181	0.2
348.17422	0.8
349.17590	0.8
350.17920	1.1
350.78345	0.1
410.29340	0.2
481.21988	0.3
482.22061	1.4
483.22754	0.1
536.21021	0.1
543.17633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08952	0.2
59.01361	0.6
60.50714	0.2
61.98829	1.0
70.15366	0.7
71.01363	0.6
78.95892	4.1
79.95733	2.9
85.02950	0.2
89.02460	0.3
96.96002	100.0
96.96898	6.9
97.95943	0.2
107.05027	0.2
113.02457	0.2
113.69531	0.2
115.28983	0.2
137.06097	0.2
156.86856	0.2
161.27188	0.2
166.43098	0.2
179.03606	0.2
181.05115	0.2
478.69934	0.2
543.15466	0.4
543.23401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.8
56.50608	1.0
58.00587	6.0
59.01374	100.0
61.98826	1.2
70.39238	1.1
71.01376	93.5
72.99272	4.8
73.02944	13.6
79.05509	1.3
83.01363	9.0
85.02946	23.3
86.14568	1.1
87.00853	3.5
88.60692	1.0
89.02439	55.3
93.03457	1.7
95.01394	5.4
95.05018	1.4
97.06557	2.9
99.00861	6.6
101.02437	53.2
106.04210	2.0
107.08688	5.4
109.06569	10.8
111.00841	3.9
113.01692	2.0
113.02440	29.1
116.05030	1.8
119.03490	20.9
121.02929	1.4
121.06587	55.8
123.04511	5.9
125.02497	1.2
125.09645	2.0
131.03511	2.0
133.06584	19.8
135.04443	1.9
135.08199	5.5
139.07599	4.6
143.03419	1.7
149.09744	1.6
151.03952	3.2
151.07631	41.2
152.07971	1.5
153.05495	4.2
153.09146	1.9
157.86952	1.3
159.02914	1.8
160.04031	46.9
161.02420	1.3
161.04411	26.8
163.07578	3.9
165.05562	17.4
165.09215	8.8
169.08733	6.1
177.05511	3.7
179.05530	4.9
183.06607	11.4
183.10184	3.7
191.07123	2.3
193.08653	2.1
195.06563	1.9
197.08170	12.1
205.03148	1.2
209.08080	2.0
223.09666	1.2
229.35786	1.2
241.21558	1.3
294.07596	1.8
295.07831	2.1
298.90961	1.5
313.12891	33.2
314.13177	1.6
333.13345	2.3
337.08905	2.0
343.11658	2.6
345.12222	7.2
357.11880	17.2
366.08020	3.1
367.08569	7.6
367.13013	1.2
375.13000	5.4
377.14468	62.1
378.14819	3.3
389.14496	57.4
390.14523	2.3
407.15503	21.6
481.17648	2.1
513.19714	60.7
514.19672	3.7
525.19714	71.0
526.20148	6.8
543.13007	10.3
543.20587	49.9
544.20886	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	543.244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86295	0.3
59.01373	2.8
60.99296	1.5
61.98820	7.2
71.01368	2.5
71.62733	0.6
73.02963	0.5
74.77706	0.3
76.47112	0.4
76.47678	0.4
80.91668	2.9
83.01394	0.4
85.02948	0.4
87.00870	1.4
88.98796	9.2
89.02407	0.5
92.38863	0.4
93.03448	0.4
101.02434	1.3
119.05042	0.4
121.10219	0.8
125.09684	0.7
134.03786	0.4
135.04472	0.4
135.08192	0.4
151.11292	0.4
153.09195	73.3
154.09592	1.9
161.02477	0.4
163.04082	0.4
169.08614	0.6
173.04514	2.1
179.10751	0.6
183.10214	3.1
193.05008	0.7
197.08168	100.0
198.08521	2.8
207.10420	0.6
216.29759	0.3
225.11313	1.6
240.73503	0.5
261.95032	0.4
309.28986	0.4
367.09906	0.7
397.22495	0.5
507.35233	1.1
509.66299	0.4
543.24390	6.1
543.33093	12.4
544.33478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17251	0.2
51.98288	0.1
57.03439	0.3
59.01369	1.1
60.99302	0.4
61.98817	1.1
67.92711	0.2
69.03437	0.5
69.75331	1.1
71.01363	0.7
74.19737	0.2
80.75493	0.2
85.02963	0.2
88.98804	1.3
93.07114	0.2
93.56126	0.2
109.06618	0.3
110.51253	0.2
123.08138	0.4
125.06070	0.3
125.09709	0.5
126.99979	0.2
127.07642	1.4
135.04506	0.3
135.08069	0.3
137.06102	0.5
139.11234	0.4
140.04285	0.2
153.09192	74.2
154.09537	1.7
155.07140	0.8
169.08641	0.6
183.10237	1.5
197.08159	100.0
198.08490	3.0
225.11276	1.6
355.61615	0.2
543.24371	6.4
544.25055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
58.00588	1.0
59.01376	36.9
61.98826	5.5
68.58870	0.9
70.07599	1.1
70.07899	5.6
71.01374	14.3
73.02930	3.9
83.01366	3.8
85.02950	5.3
87.00861	3.3
89.02444	3.0
96.95979	4.7
99.00861	2.0
101.02435	6.4
111.00871	1.1
111.44838	1.1
113.02454	2.7
113.10775	1.0
124.01653	2.5
125.02441	1.8
130.21973	1.1
134.18872	1.1
145.02945	4.0
163.03915	1.1
173.04590	2.1
201.55037	1.1
277.21606	1.8
295.22778	27.1
296.23145	1.6
311.09747	1.7
358.52783	1.1
378.30240	1.2
439.27045	12.3
457.27991	32.7
458.28345	2.5
483.17719	1.3
499.29059	100.0
500.29276	8.8
507.29724	3.8
511.28809	1.8
543.27631	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	543.2805
Annotation	Pharboside C
Peak:m/z	Relative Intensity
55.01867	1.3
55.20512	0.7
57.03440	2.9
59.01370	17.3
61.98821	7.7
69.03472	0.6
69.23143	5.9
71.01372	16.4
72.99310	3.6
73.02932	2.0
75.00863	12.5
81.03436	1.1
82.84744	0.7
82.95437	0.5
83.01378	1.0
85.02425	1.1
85.02940	16.8
87.00862	5.0
89.02444	5.5
95.01375	3.9
96.95989	1.7
99.00870	7.2
101.02432	2.1
103.00340	2.1
113.02434	21.1
115.00344	1.0
117.01920	2.3
125.02409	0.9
127.03965	0.6
129.01967	1.2
129.11566	0.7
135.04549	0.8
152.99577	0.6
157.01410	0.7
161.02414	0.9
175.02437	2.4
175.49541	0.6
179.03522	0.8
193.03551	0.6
195.13835	4.7
205.07272	0.9
207.11334	1.3
223.08157	0.7
223.13409	2.3
249.06131	4.7
267.07129	4.7
275.20099	2.2
293.21167	17.1
294.21387	1.0
468.50082	0.7
499.28311	0.8
525.27216	1.8
543.28040	100.0
544.28516	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	544.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48130	0.2
53.25466	0.2
57.03432	0.2
59.01089	0.2
59.01372	3.1
61.98825	1.3
63.39152	0.2
65.20943	0.2
70.93420	0.3
71.01382	1.0
78.95893	2.2
79.95728	3.5
85.02930	0.4
89.02428	0.5
94.01544	0.2
96.95999	100.0
96.96878	2.7
98.42332	0.2
99.00850	0.2
101.02447	0.5
113.02438	0.6
119.03546	0.2
119.05066	0.2
122.02483	0.2
125.02382	0.2
133.02924	0.3
135.04521	0.5
137.06058	0.2
145.02931	0.2
146.06136	0.2
152.03494	0.8
161.02432	0.6
161.04576	0.2
179.03487	0.3
223.13344	0.2
228.17056	0.2
265.14557	0.2
266.14468	0.2
278.20798	0.2
381.66382	0.2
382.16971	0.3
446.18289	1.1
477.63699	0.2
483.29272	0.3
508.52762	0.2
526.12427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.0
61.07246	0.6
66.80563	0.7
67.01911	1.2
71.01360	3.4
71.61589	1.6
73.02956	0.9
73.95425	0.6
79.95770	1.1
80.32934	0.7
85.02948	8.9
87.00913	2.9
89.02463	2.0
93.03445	8.2
96.96000	35.5
99.00913	1.3
101.02461	1.4
109.02943	7.5
111.04527	1.8
113.02501	1.5
115.04160	0.8
121.02945	1.8
127.04039	2.8
135.04581	1.2
136.01685	1.9
145.02982	1.1
146.03737	6.2
147.04524	5.3
149.02464	3.0
150.02115	0.6
150.03178	3.7
151.03960	3.3
155.03528	1.0
157.02876	0.9
158.03720	4.8
159.04518	3.1
160.04005	9.8
160.05185	1.1
160.24985	0.7
161.02495	1.7
161.06049	1.8
164.04800	2.5
165.05527	3.3
166.02773	1.0
173.02426	0.8
173.04561	3.3
173.06033	1.6
181.05165	1.0
185.02533	0.8
190.02611	1.3
191.05582	61.3
192.06044	2.4
193.16446	0.8
195.06638	2.4
197.08194	0.9
205.05029	1.0
209.06087	1.9
218.04539	0.7
221.06282	1.0
223.06046	6.9
224.04718	1.0
225.17036	0.7
229.01393	10.5
237.05609	1.9
238.06348	2.3
240.04341	1.1
248.04732	0.9
249.05647	4.7
250.06427	0.8
252.04289	1.3
265.05038	8.1
266.05774	24.1
267.06534	9.2
268.07455	1.7
271.02530	0.7
271.06024	1.0
276.04254	2.2
277.04971	3.1
278.06702	1.6
281.08142	13.8
283.09702	6.8
285.63834	0.7
286.08667	0.7
293.04550	7.3
294.05307	11.8
301.10626	1.7
309.07690	11.5
327.08810	3.5
338.04108	1.4
341.10184	1.5
353.06595	100.0
354.07037	5.8
366.08145	1.3
371.07251	1.3
371.11234	2.7
434.63629	0.8
501.13565	1.3
545.12823	27.1
545.25397	1.3
546.13837	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	545.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
67.01887	0.3
69.03425	0.5
71.01360	1.0
71.60463	0.3
71.60864	0.4
72.40665	0.3
74.73955	0.3
78.95891	0.9
81.03450	0.3
85.02938	6.8
86.03292	0.3
87.00870	2.5
93.03452	3.2
96.95998	3.7
96.96949	1.1
98.95582	0.3
101.02458	0.5
108.02162	0.3
109.02914	0.6
111.00862	1.7
111.04517	1.0
127.04021	1.7
129.01906	0.3
133.02896	0.4
135.04514	2.8
137.02431	0.4
152.01100	0.6
161.02438	1.1
171.02905	0.5
173.04521	4.0
179.03494	2.7
191.02106	2.2
191.05583	100.0
192.05902	2.1
203.01991	0.4
205.13757	0.3
353.08630	15.8
354.08990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11977	0.6
57.03445	0.6
59.01374	6.4
61.98815	1.1
71.01378	6.2
71.62125	0.9
72.99310	1.0
73.02951	2.7
81.45719	0.6
83.01390	0.7
85.02956	2.4
87.00861	0.8
89.02431	4.5
91.05559	0.7
93.03439	0.7
95.01395	1.0
96.95999	6.9
97.02950	0.9
99.00893	1.4
101.02420	5.6
104.12417	0.5
107.05009	2.0
109.02924	1.1
113.02451	3.6
117.03463	1.6
117.12090	0.6
119.03512	1.1
122.03764	1.5
123.04518	1.1
125.02419	0.8
128.87689	0.6
132.02133	0.8
133.02948	16.0
134.03732	9.2
135.04509	100.0
136.04846	2.8
137.02493	0.7
149.02402	2.2
149.04497	1.0
149.06082	0.9
150.03215	3.8
151.07605	0.8
153.01924	0.9
153.05562	1.8
153.09163	1.1
157.58626	0.6
159.02933	0.8
161.02425	47.0
161.04561	2.6
162.02785	2.1
164.04822	0.8
165.05547	4.2
179.03473	65.5
180.03812	2.8
191.05685	1.2
193.04956	1.4
195.06592	3.5
203.10660	0.7
205.05005	1.0
211.89594	0.6
235.06084	1.1
251.11235	1.1
267.08646	0.8
299.21390	0.6
301.31506	0.8
325.11472	1.1
343.11774	1.0
431.15573	0.8
545.18671	89.5
546.18964	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	545.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30350	0.2
55.01872	0.3
57.03450	0.3
59.01370	2.4
61.98819	0.5
63.95792	0.2
69.61491	1.4
69.92002	0.2
71.01382	3.0
72.99284	0.4
73.02941	0.9
79.95727	2.9
83.01371	0.7
85.02956	1.1
87.00893	0.5
89.02438	1.8
91.05507	0.3
93.03448	1.0
95.01371	0.3
96.96001	100.0
97.95935	0.2
99.00867	0.7
101.02444	2.5
105.03432	0.3
106.04252	0.2
107.05015	1.2
108.02106	0.2
108.68056	0.2
109.02932	0.2
111.04460	0.3
113.02451	0.9
117.03459	0.9
119.03532	0.3
119.05020	0.8
123.04520	0.3
126.04157	0.2
131.03452	0.2
132.02156	0.5
133.02946	9.7
134.03719	3.7
135.04510	54.6
135.46095	0.2
136.04860	1.4
137.02422	0.2
138.72456	0.2
143.78331	0.2
145.02913	0.4
147.28357	0.2
149.02420	0.5
149.04491	0.2
150.03212	0.6
151.04057	0.4
153.02003	0.3
153.05585	0.3
157.08737	0.4
159.02968	0.4
161.02428	25.4
161.04573	1.2
162.02762	1.2
163.03998	2.3
163.06091	0.2
165.05583	0.8
167.03467	0.4
173.04544	0.9
175.03944	0.3
178.02632	0.2
179.03476	31.4
180.03821	1.2
183.10368	0.4
191.05563	1.0
195.06619	0.5
212.23358	0.2
225.65298	0.2
251.11304	0.7
299.05453	0.3
325.11322	0.9
327.05099	1.5
343.12067	0.6
347.17062	0.6
357.05981	0.3
371.13437	0.5
383.15503	0.3
447.09244	1.4
509.22183	0.3
545.18701	45.9
546.19080	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	545.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77139	0.9
58.00590	0.9
59.01370	96.5
59.60546	0.8
60.11355	0.8
60.40288	0.8
61.98820	5.1
68.01382	1.3
69.58360	6.4
71.01384	5.2
73.02930	2.4
79.76321	0.9
80.33823	0.8
83.01369	1.5
85.02946	3.1
89.02419	3.3
90.68937	0.9
92.05102	1.0
96.95956	1.5
99.04477	1.1
100.04064	0.8
101.02422	4.4
104.05075	1.3
105.55004	1.0
106.04240	1.2
106.06611	11.5
109.99567	0.9
113.02413	3.3
116.05047	61.3
117.05403	1.5
118.06590	3.1
119.04974	2.0
120.04526	1.5
120.08160	1.8
121.02930	1.7
123.04497	4.1
124.03953	1.1
130.06543	2.5
131.03735	2.2
132.04543	4.6
132.08252	1.2
133.02966	3.0
133.06517	1.6
134.06067	1.6
135.04515	3.1
136.07660	3.2
137.06062	12.6
138.05553	2.0
138.37296	0.9
142.06598	29.9
143.06046	2.1
144.04506	4.0
145.02986	1.0
145.05241	1.2
146.06093	24.5
148.04013	6.2
148.07672	1.0
149.04791	2.0
149.06042	10.2
151.07607	2.6
153.05544	2.2
154.05325	2.0
157.07655	2.5
158.06071	2.6
160.04004	3.4
160.07652	12.1
161.02330	1.1
161.04572	3.5
162.05548	3.5
164.07135	39.3
165.05566	9.6
165.09180	1.7
168.08147	7.8
169.07713	1.5
176.07137	15.7
178.05093	3.7
178.08705	29.3
178.10275	1.6
179.05617	0.9
186.05566	1.2
190.05087	4.6
190.08714	4.1
192.06644	3.9
192.08371	1.0
192.10265	6.8
194.08199	2.9
195.06607	20.2
202.04926	1.3
204.10199	1.7
205.05074	1.3
207.06508	0.9
208.06035	1.4
218.08154	3.9
220.06049	1.6
222.07649	2.5
231.09151	1.9
234.07652	2.7
245.10802	2.7
246.11594	1.1
247.08673	2.2
247.12279	1.6
248.08949	1.1
250.08727	1.5
251.08203	1.7
273.10278	8.0
275.11868	1.1
287.11926	1.2
289.10321	1.4
289.13315	5.7
291.11362	1.9
305.12903	52.7
306.13040	3.4
307.14441	3.1
321.12378	6.3
321.16034	4.6
333.12540	5.2
337.15515	18.5
338.16043	1.5
349.11868	1.7
363.13449	1.7
365.15015	21.2
366.15259	1.2
381.14307	3.3
407.12473	2.5
416.13370	4.1
469.17804	1.0
485.31259	5.7
501.20078	4.7
545.19202	100.0
546.19653	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	545.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03452	1.0
58.00592	1.2
59.01089	1.3
59.01372	16.3
61.98829	4.6
67.01901	0.9
68.57158	0.8
69.03465	1.3
69.28291	5.0
69.28726	3.7
69.50614	0.9
71.01373	24.2
73.02932	6.4
79.05516	1.2
81.03419	1.5
82.95407	1.1
83.01369	3.1
85.02948	9.2
87.00865	1.1
89.02428	7.8
93.03435	4.8
95.01408	1.7
95.05006	1.7
96.96006	12.5
97.02934	1.6
97.06577	1.7
98.95582	16.2
98.96413	2.7
99.00862	3.6
101.02425	15.3
106.04232	12.1
107.05017	100.0
108.02155	9.1
108.05344	2.4
109.02931	1.3
113.02438	11.5
114.01940	1.4
119.03484	1.7
119.05029	1.6
121.02914	1.7
121.06598	1.3
123.04530	2.9
125.02450	1.6
131.03511	2.6
133.02939	1.2
134.03735	1.0
135.04514	2.8
138.03207	1.3
143.03500	2.3
145.02928	1.0
147.11707	1.9
149.04533	7.4
149.05956	1.3
151.03987	48.1
152.01134	3.8
152.04414	1.0
153.01926	1.6
159.02979	1.5
159.11789	1.3
160.01602	2.8
161.02432	3.1
161.04507	12.0
161.13324	16.9
163.14973	1.0
173.04532	9.9
175.03964	3.5
179.03563	1.9
185.09674	0.9
187.11255	23.3
188.11674	1.2
189.12866	3.4
191.05595	2.1
193.05032	1.6
205.12315	17.0
207.13879	1.8
225.11267	2.5
231.13867	1.5
235.06119	2.3
265.07257	1.5
269.19070	14.8
270.19675	1.2
295.08197	1.9
295.16916	5.7
313.18060	15.5
349.16525	1.9
353.19632	1.4
355.19202	1.4
365.17413	1.1
379.19073	10.4
397.20117	4.1
398.20200	1.3
399.16537	7.6
436.42755	1.0
457.22122	1.4
544.27167	3.3
545.19128	1.2
545.27399	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.8
58.00565	1.8
59.01373	54.8
64.82520	1.1
71.01369	23.8
73.02943	19.7
83.01375	4.6
85.02945	6.2
87.00861	2.1
89.02432	10.7
95.01379	1.7
99.00809	1.2
99.21287	1.3
101.02435	17.8
113.02413	7.1
119.03475	3.4
125.02440	1.8
146.25607	1.4
175.29123	1.5
183.13887	3.1
209.56572	1.2
229.54117	1.5
241.94629	1.2
279.23288	15.8
295.22592	1.3
297.24338	4.3
337.23715	2.8
393.64523	1.3
441.28748	7.8
459.29541	19.7
469.33051	8.7
480.79156	1.5
487.34314	16.3
501.30618	100.0
502.30991	7.4
545.30090	78.5
546.30463	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	545.3479
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
50.58709	0.5
59.01371	34.7
61.98827	3.1
70.15581	1.9
70.15970	1.1
72.09441	0.5
72.99294	5.9
75.00872	0.6
96.95993	3.4
98.19908	0.8
113.03846	0.6
119.08721	0.6
138.26093	0.6
166.52995	0.6
178.63461	0.5
208.69353	0.6
236.99292	0.6
288.64261	0.6
407.33203	1.4
412.28387	0.6
421.31509	0.6
434.12085	0.6
441.33545	0.9
453.33676	27.9
454.34171	2.6
455.34827	0.7
469.33267	1.0
471.34061	2.9
473.35703	1.6
485.32748	1.9
487.34109	1.6
499.34482	0.7
509.32703	1.2
517.34387	1.3
527.33716	1.5
545.34906	100.0
546.35242	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	546.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98721	0.5
57.91221	0.5
59.01375	100.0
61.73741	0.5
66.17129	0.6
71.07565	0.8
81.03452	0.7
89.82699	0.5
106.04250	1.7
107.04997	0.8
112.63284	0.5
119.04982	3.4
123.04514	0.7
130.08705	5.4
135.04506	0.7
137.06067	31.3
138.06480	0.8
142.95076	0.6
147.04488	1.8
149.06056	0.8
160.03963	1.0
163.07640	0.9
174.05562	1.7
175.06259	0.6
176.07130	1.3
178.05087	1.4
179.07120	1.1
180.10310	1.0
186.12808	1.2
204.13882	1.6
206.08261	0.5
214.12358	4.3
220.06227	0.7
230.11740	1.3
231.12650	1.1
232.13351	4.7
240.10355	0.9
246.14977	11.0
246.17142	0.4
248.12968	1.3
258.11325	2.0
263.15244	0.7
264.15906	3.1
272.12878	7.5
273.13272	0.8
274.14505	0.9
276.12399	1.0
278.17621	2.2
290.13965	8.3
304.15546	3.7
306.17056	1.8
308.14990	6.1
309.15222	1.0
322.16547	14.6
323.16934	1.1
332.14880	2.5
338.19687	0.8
340.17578	1.6
341.10162	1.2
350.16162	2.6
352.93326	0.7
364.17639	14.3
365.17725	1.4
382.18692	3.2
396.18100	1.0
410.19565	2.7
428.20602	4.9
470.21875	1.1
546.23364	28.3
547.23608	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	546.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00839	0.5
59.01365	1.0
61.98822	100.0
64.13557	0.6
69.39954	0.4
69.47200	2.8
86.70424	0.4
100.23460	0.4
112.98611	0.6
152.99518	0.4
257.09055	0.4
342.04584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71432	0.4
59.01382	3.4
71.01361	1.0
73.02952	1.0
89.01822	0.4
89.02415	1.1
89.03946	0.6
95.01371	0.5
96.95988	0.8
101.02428	0.9
105.03431	0.7
117.03451	2.8
117.60903	0.4
119.05029	3.2
123.04487	0.7
132.02171	1.7
133.02939	38.1
134.03671	1.0
135.04500	11.1
137.02426	0.6
137.06076	0.6
139.94104	0.5
145.02928	7.9
159.04443	0.6
161.02425	100.0
162.02777	2.3
163.04005	2.9
179.03490	4.3
197.08237	0.6
203.03474	0.8
238.86942	0.6
271.10950	0.4
461.14484	2.9
503.15527	62.4
504.15918	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.0
69.03459	0.6
69.53378	4.6
71.01376	4.8
73.02927	2.3
73.68546	0.6
85.02931	0.9
89.02420	3.7
98.19777	1.1
99.00864	1.4
101.02410	2.9
104.24012	0.7
110.20086	0.7
113.02425	3.0
114.66429	0.8
116.92836	0.8
117.03444	11.8
119.03594	0.6
119.05018	15.8
120.05344	0.7
123.04511	1.8
128.03577	0.8
131.03448	0.7
132.02129	1.4
133.02940	38.2
134.03674	0.9
135.04512	13.0
137.06030	0.9
139.04088	1.0
145.02936	39.0
146.03288	0.9
149.04562	1.7
153.05530	1.4
161.02423	100.0
162.02782	2.7
163.03987	17.5
177.05516	1.1
179.03474	5.2
191.05617	0.8
230.34767	0.8
239.09344	0.8
297.09763	1.8
315.10724	1.0
339.10779	2.3
449.77878	0.7
461.14615	1.9
472.25012	0.6
503.15497	81.1
504.15631	5.6
547.20068	1.0
547.27490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94753	0.3
56.78748	0.3
59.01092	0.3
59.01376	4.7
64.13471	0.3
64.54849	0.3
71.01370	2.1
71.11874	0.7
73.02943	0.9
83.01412	0.4
85.02937	0.7
87.00895	0.4
89.02418	2.0
95.01376	0.3
99.04529	0.6
101.02440	1.6
105.03452	0.8
113.02448	1.4
115.00395	0.3
115.01880	0.4
117.03462	0.9
119.03505	0.5
119.05025	1.3
132.02138	2.1
133.02937	39.0
134.03618	1.1
135.04500	11.5
137.02379	0.6
137.06064	0.6
145.02957	1.0
159.04494	0.4
161.02420	100.0
162.02768	2.6
163.03970	0.8
179.03484	5.2
179.10777	0.5
207.13881	0.6
251.12869	0.9
325.13058	0.5
341.10822	1.1
385.14771	0.5
386.15921	0.4
431.19211	1.6
461.14578	2.7
503.15533	62.4
504.15845	5.3
547.21338	0.6
555.11206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68878	0.6
55.01873	0.6
57.03419	0.6
59.01374	12.0
68.32105	0.5
69.03446	1.3
71.01379	9.9
71.61894	0.7
72.99304	0.8
73.02933	4.0
73.52297	0.5
75.00861	0.9
80.59222	0.5
82.40948	0.5
83.01371	1.6
85.02941	6.0
87.00878	3.2
89.02425	4.1
93.03465	1.3
95.01366	0.9
96.96006	6.4
97.02953	1.0
99.00882	1.1
101.02437	6.8
109.02931	1.3
111.00844	1.2
113.02439	4.5
117.03475	1.6
117.64443	0.6
119.03525	1.0
121.02867	0.5
123.04520	1.1
125.02448	0.8
127.19859	0.6
131.03491	2.9
132.02167	1.4
133.02948	28.7
134.03784	1.2
135.04491	7.0
137.02400	0.6
141.01900	0.6
149.02454	1.3
150.03206	0.7
152.01166	0.9
153.01927	1.5
155.10756	0.7
159.02991	0.7
161.02432	100.0
161.04585	3.7
162.02734	3.8
163.04057	0.7
163.06079	0.6
164.04781	0.5
165.05569	1.3
167.34474	0.5
173.03156	0.7
173.04530	4.6
179.03561	2.6
179.04919	0.4
179.05539	0.4
191.05595	8.9
193.05028	1.6
208.03780	0.7
221.06628	2.5
223.06105	2.5
228.38190	0.6
285.11362	1.0
297.06235	0.6
325.09314	0.7
325.12906	1.4
367.12576	3.0
373.09161	1.3
395.25781	0.6
461.16754	0.6
503.17844	3.1
511.14645	1.9
523.19482	0.6
529.15540	50.4
530.15546	4.3
547.15649	4.2
548.17975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71336	2.0
55.01848	3.8
57.03439	3.1
59.01372	100.0
59.01672	5.4
63.47392	2.4
69.03426	4.5
69.25400	24.6
69.25731	3.6
71.01370	69.2
72.99306	3.1
73.02935	21.1
83.01358	9.1
85.02936	20.8
87.00869	3.7
89.01906	3.5
89.02435	44.3
95.01365	7.1
97.02991	3.9
99.00895	4.5
101.02428	53.0
103.84941	2.5
113.02441	53.9
117.75797	2.2
119.03469	17.3
119.05027	25.2
125.02423	6.8
131.03514	4.1
133.02933	8.0
137.06110	4.8
143.03465	7.8
155.03447	8.3
157.72929	2.3
161.02446	35.5
161.04463	16.6
163.29083	2.7
179.05571	9.0
203.05598	14.1
281.10239	13.4
299.11255	7.0
341.12366	22.9
380.51767	2.5
382.05487	2.4
443.15561	4.8
461.10437	4.9
461.16547	67.2
462.16666	5.4
480.63083	2.5
503.17587	77.6
504.17920	4.0
529.15753	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16343	2.1
59.01373	100.0
59.92438	1.9
69.39422	17.0
71.01375	58.0
72.99283	3.5
73.02940	33.3
83.01391	10.3
85.02942	15.1
87.00871	2.9
89.02430	29.7
95.01357	5.5
99.00880	4.3
101.02436	40.3
113.02440	29.7
119.03526	13.8
119.05013	43.7
131.03487	2.8
137.06024	3.2
143.03490	2.7
145.02959	10.7
145.05045	2.7
149.04553	5.2
161.02414	14.0
161.04509	17.4
163.04025	4.5
179.05542	3.8
191.05595	12.1
204.08791	2.6
205.07181	10.1
205.08827	2.3
221.06638	3.0
240.03749	2.3
251.02785	2.3
281.10263	70.0
282.10632	5.0
299.11288	30.3
300.11572	2.4
325.09192	7.8
341.12344	69.8
342.12598	5.1
461.16010	2.3
503.17868	3.1
529.15906	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96448	0.5
59.01373	11.7
59.19617	0.6
69.03453	1.2
70.89106	1.5
71.01376	9.5
72.99332	0.7
73.02959	3.4
83.01365	1.0
85.02937	6.8
87.00888	3.0
89.02442	4.8
93.03462	1.3
95.01412	1.3
97.02945	1.5
99.00912	1.0
101.02439	8.9
103.04026	0.7
111.00848	1.4
112.62910	0.5
113.02423	7.3
117.03439	1.3
119.03485	1.7
119.05009	0.7
123.04525	0.7
125.02431	1.1
130.02824	0.7
131.03448	2.9
132.02151	1.0
133.02943	27.9
134.03757	0.8
135.04524	8.7
137.06076	2.0
143.03508	1.0
161.02432	100.0
161.04581	3.2
162.02763	2.4
173.04492	1.6
179.03484	1.8
191.05554	5.0
219.12404	0.7
221.06639	2.7
248.27716	0.7
367.12350	2.6
400.97079	0.7
403.07465	0.6
443.15454	1.5
461.16660	2.5
475.07336	0.7
503.17941	9.3
529.15540	49.9
530.15863	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	547.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
60.73509	0.4
61.98806	0.5
69.27491	3.3
71.01381	3.4
73.02908	1.0
75.40380	0.4
83.01376	0.6
85.02937	1.8
85.61150	0.3
87.00850	0.5
89.02425	1.1
93.03426	1.0
99.00836	0.5
101.02415	2.4
105.03438	0.4
113.02421	0.7
117.03458	7.3
119.05011	52.5
119.98396	0.3
120.05340	1.5
132.02147	0.4
133.02942	12.6
134.03650	0.4
135.04506	5.4
137.02435	0.5
145.02934	21.0
146.03264	0.7
150.51050	0.4
161.02425	41.3
162.02786	0.9
163.03986	100.0
164.04349	3.0
173.04565	0.8
177.05606	0.7
179.03442	3.7
205.12564	0.4
221.04637	1.1
251.05620	0.4
281.06738	1.1
314.26459	0.4
341.08960	0.9
547.22302	31.1
548.22687	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	547.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.5
59.01370	88.3
60.01707	0.7
60.99286	0.6
61.98820	0.8
68.43906	0.4
69.47213	3.4
69.47533	0.9
70.02967	27.6
71.01363	1.2
88.98792	5.3
89.02425	1.1
94.02914	0.4
96.00843	0.6
96.95999	1.7
101.02441	1.2
106.04256	0.6
107.05049	0.5
108.02100	0.5
113.02419	0.7
113.03533	0.5
114.01952	100.0
115.02299	1.3
117.03455	0.7
118.06606	1.0
119.04998	2.8
131.48349	0.5
133.02959	1.0
135.04518	2.0
137.06062	21.3
144.04536	0.9
145.02908	0.6
149.06046	0.5
161.02425	4.0
161.04778	0.7
162.05614	1.0
163.03981	0.7
164.07098	1.1
174.05559	0.6
176.07112	5.8
178.05054	1.8
179.03467	1.4
179.07080	2.6
188.03462	0.4
188.07187	0.4
190.34975	0.4
196.49962	0.4
206.04471	1.2
219.61072	0.5
220.06035	0.9
236.09271	0.6
239.09183	0.8
323.12399	0.8
326.10074	2.4
340.11658	0.7
347.80649	0.4
373.92303	0.4
383.14395	1.7
393.63376	0.8
400.13708	0.7
449.59692	0.5
547.19165	11.1
548.19427	1.1
549.88696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52076	1.6
52.67236	1.5
54.84649	1.6
57.03447	2.3
59.01371	81.1
61.98804	6.2
69.03455	2.3
69.35136	5.5
69.35542	8.0
71.01372	54.8
72.99309	2.9
73.02934	8.9
74.30405	1.6
75.00851	2.7
83.01368	4.3
85.02943	11.2
87.00879	3.4
88.98755	3.2
89.02428	53.8
93.03431	3.1
95.01332	1.9
96.96002	6.4
97.02941	6.4
98.95555	1.9
99.00861	7.5
101.02432	18.5
113.02431	11.2
117.03447	19.7
119.03523	2.2
119.05018	14.9
121.02938	1.8
123.04537	2.0
125.02409	16.1
131.03494	14.3
132.02147	11.3
133.02034	2.7
133.02954	35.8
134.03725	34.8
135.04520	35.1
137.02402	3.3
138.05591	3.2
141.31931	1.9
143.03462	3.1
145.02936	56.2
145.06120	3.4
149.04518	23.2
149.05980	4.7
150.03316	2.4
150.05589	3.1
151.03972	4.8
155.10762	2.4
160.01637	48.6
161.02432	100.0
161.04543	4.2
162.02808	3.0
163.02708	2.5
163.03992	33.8
165.05504	3.8
173.04501	4.1
175.02486	3.5
175.03979	53.6
176.04623	6.0
178.02628	2.4
178.04956	3.1
178.06331	10.0
179.03484	49.5
179.07066	5.9
180.03911	2.2
180.06683	6.7
189.05446	2.6
191.05559	12.5
191.07104	5.8
193.05026	35.8
193.08662	5.4
194.05818	21.4
195.06505	2.0
197.08160	2.2
199.09633	3.4
203.03523	2.7
209.08122	22.4
211.07515	2.2
233.04446	6.1
233.06543	4.0
235.06035	2.2
263.10297	5.4
277.06839	1.8
281.06644	3.9
293.08673	28.8
294.09070	2.0
337.09253	59.8
338.09448	4.6
367.10846	2.7
385.11862	2.5
409.09088	2.9
415.23337	2.4
427.10089	2.5
503.15622	25.6
504.15714	3.0
514.12305	2.1
547.17926	37.2
547.27295	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	547.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24770	0.5
54.71808	0.4
57.03430	1.0
59.01088	0.7
59.01373	9.4
59.07462	0.5
66.03472	0.9
70.35564	1.0
70.35952	1.1
71.01370	4.4
72.90987	0.4
73.02927	1.4
83.01340	0.7
85.02952	1.5
89.02444	4.0
89.19696	0.5
90.98790	0.5
92.05042	0.8
94.02981	1.0
99.00871	0.5
100.04014	0.8
101.02414	3.0
113.02445	1.0
116.05049	24.9
117.05376	1.0
118.06601	0.9
119.03471	0.5
120.04540	0.9
123.04489	1.0
124.04039	4.2
126.05608	0.7
131.03549	0.9
134.03702	1.0
137.06065	1.5
138.05525	0.6
140.05017	0.8
141.04556	1.3
142.06602	51.3
143.06041	0.7
143.06995	1.1
144.04579	0.8
146.06027	0.5
148.04024	0.7
149.04532	4.0
149.06036	6.9
150.05569	2.4
152.05043	0.7
152.07153	0.9
153.05803	0.7
154.05377	3.0
157.07652	0.9
161.04626	1.7
162.05614	3.0
164.07169	0.8
166.06561	1.0
167.06087	2.3
168.08160	6.1
174.05586	0.5
176.07124	5.7
178.06598	2.0
178.08669	1.6
179.05818	1.3
179.07204	0.8
184.07693	1.3
186.09163	1.4
192.08244	0.7
194.08179	6.4
203.08267	2.8
204.06822	0.7
204.08583	0.5
218.08134	1.1
219.09203	3.7
220.07553	0.9
231.09210	0.7
232.06372	1.1
235.08658	0.6
236.09245	1.6
245.10786	1.4
246.09195	0.8
247.08745	8.3
247.11490	0.8
247.12132	0.6
249.10223	0.8
249.45450	0.5
251.08180	5.3
253.10217	0.5
258.07938	1.1
265.09769	1.9
271.08765	0.6
272.09537	0.8
273.10321	7.9
277.09616	0.5
279.11389	6.1
291.11404	2.3
303.79074	0.5
305.12906	19.7
306.13193	1.2
323.13956	100.0
324.14252	6.5
355.21201	1.5
487.25131	4.1
495.58105	0.5
547.20679	1.6
569.61224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15486	0.2
57.03426	0.3
57.91189	0.2
58.00565	0.3
59.01369	5.7
61.98826	1.7
71.01372	2.9
72.99303	0.2
73.02933	0.5
75.26320	0.2
76.99783	0.2
83.01409	0.4
85.02942	1.2
87.00893	0.3
89.02432	2.9
89.03957	0.4
93.03442	0.6
99.00860	0.4
99.04527	0.3
100.30756	0.3
100.73107	0.2
101.02418	1.9
105.03442	0.9
107.05022	0.4
109.02976	0.3
109.04890	0.2
113.02443	1.0
117.03466	1.3
119.03505	0.5
119.05026	0.8
123.04516	0.7
125.02478	0.2
132.02129	1.5
133.02940	33.2
134.03674	1.8
135.04501	15.0
136.04945	0.2
137.02411	0.7
145.02939	0.5
145.06169	0.3
148.05321	0.4
149.04639	0.4
149.06055	1.6
153.09178	0.4
160.01656	0.4
161.02417	100.0
162.02742	2.8
162.03976	0.2
163.03937	1.2
166.04900	0.2
173.04532	0.7
175.03947	0.5
177.05539	3.5
178.02692	0.5
179.03468	14.2
180.03783	0.4
193.05019	0.6
197.08134	0.2
200.39313	0.2
203.03436	0.5
205.12274	0.5
221.04524	5.7
233.04419	0.4
251.03163	0.1
251.05550	5.3
281.06616	9.1
282.06949	0.4
285.04016	0.3
323.07660	0.8
341.08691	6.7
342.09155	0.4
542.64514	0.3
547.21735	68.3
548.22046	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	547.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73344	0.1
57.03444	0.2
59.01374	4.8
61.16296	0.1
68.99795	0.2
69.03511	0.2
69.28925	1.5
70.77323	0.1
71.01377	2.3
73.02935	0.3
83.01389	0.3
85.02966	0.8
87.00865	0.3
89.02431	1.8
89.03967	0.2
91.05590	0.2
96.95969	0.2
99.00874	0.3
101.02424	1.4
102.05582	0.4
105.03463	0.5
107.05016	0.4
109.02953	0.2
113.02454	0.9
117.03459	1.5
119.03457	0.2
119.05016	0.2
121.02931	0.4
122.02431	0.2
123.04529	0.4
132.02161	2.0
133.02940	32.3
134.03651	1.4
135.04509	10.6
136.05124	0.3
137.02429	0.8
138.06874	0.3
145.02940	0.2
145.05357	0.3
149.06104	0.3
150.05608	0.4
151.07617	0.2
152.08398	0.4
153.09204	1.1
160.07631	0.2
161.02425	100.0
162.02744	2.6
163.03984	0.4
163.11292	0.4
173.04880	0.2
174.05583	0.2
177.01627	0.2
177.05475	0.8
178.02719	0.4
178.08676	0.4
179.03474	6.9
180.06636	0.5
188.07097	0.3
203.03442	0.2
205.12328	1.2
220.09718	0.6
221.04471	0.9
251.05666	0.4
269.04474	0.5
281.06604	0.6
281.12399	0.1
284.03265	0.7
285.04016	1.7
306.09561	0.2
324.10849	0.2
332.09976	0.2
367.10403	0.2
409.11386	0.2
457.07388	0.2
489.10312	0.6
547.21735	72.1
548.22284	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	547.218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.4
59.01371	16.0
61.98821	100.0
62.84423	0.3
68.99566	0.6
69.64773	0.4
71.01375	10.1
72.99294	0.7
73.02943	0.9
83.01405	0.5
85.02509	0.3
85.02943	2.3
87.00892	0.6
88.98853	0.3
89.02434	9.5
95.01405	0.5
95.23933	0.3
96.28429	0.3
96.53468	0.3
96.96017	2.2
98.95578	2.3
98.96188	0.3
99.00871	0.3
99.92582	1.1
100.36015	0.4
101.02429	6.5
108.02189	2.6
109.02972	1.6
112.98553	0.7
113.02430	3.5
115.36801	0.3
115.92044	0.8
116.92831	3.0
117.74216	0.3
119.03487	3.2
119.04993	0.8
123.04505	2.0
125.02420	0.6
130.08713	1.3
131.03490	1.2
133.02951	0.6
135.04500	18.2
145.02873	0.5
149.04572	1.5
151.04070	0.4
152.01183	2.5
153.01915	1.0
153.05579	2.5
161.02386	1.1
161.04567	0.4
161.13295	0.6
163.03981	0.4
179.03502	1.1
187.11284	1.1
191.05576	0.5
193.12286	3.9
205.12418	0.5
220.66714	0.3
259.96375	0.3
293.08752	1.9
297.09781	2.1
315.10800	43.4
316.11060	1.9
322.20291	0.9
323.13879	1.0
487.22025	0.4
503.18201	2.0
547.18909	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	3.8
59.01374	62.5
61.98812	9.9
70.36689	7.1
70.37074	5.7
71.01372	15.9
73.02946	5.2
73.28459	3.0
85.02934	4.1
89.02428	17.3
91.26663	3.5
96.95990	3.9
101.02430	16.8
113.02416	10.5
149.04500	12.4
161.02419	4.7
161.04556	7.4
161.05971	4.1
285.03711	3.7
291.20279	3.0
304.51633	3.1
328.26581	3.2
487.24384	3.8
487.32169	4.8
511.25403	67.3
512.25531	10.9
547.22968	100.0
548.23181	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	547.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26445	2.1
55.01870	4.8
57.03433	6.0
58.00574	3.3
59.01374	96.3
61.98817	8.4
63.99003	1.8
69.03433	2.7
69.25790	18.9
71.01374	87.1
72.99302	3.4
73.02938	30.6
83.01365	6.4
85.02939	30.2
87.00874	2.5
89.02436	86.0
89.02990	4.7
95.01394	4.1
96.00900	2.9
99.00866	26.3
99.04488	2.5
101.02428	63.5
113.02428	28.3
115.03983	2.5
116.05030	4.8
119.03466	7.6
123.04520	2.4
125.02408	7.4
130.08772	2.7
131.03479	20.0
135.04503	3.0
142.06578	5.9
143.03494	4.0
149.04533	88.5
151.03923	2.5
153.05499	2.0
159.02924	3.8
161.02440	2.9
161.04565	16.3
162.25729	1.8
179.05573	4.0
185.09660	1.7
191.05562	18.6
195.06621	2.7
206.21516	1.9
221.06671	4.6
233.06561	2.9
238.46220	1.9
251.07787	10.1
293.08783	4.8
305.12939	3.2
308.82599	2.0
311.09781	3.3
323.13852	14.6
355.21094	18.0
357.14478	3.2
487.25436	100.0
487.32639	4.8
488.25769	5.6
511.25415	8.7
547.22357	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	547.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42912	0.9
55.01857	1.2
57.03444	6.6
58.00570	1.6
59.01374	100.0
60.01706	2.7
61.98825	12.9
67.01877	1.3
69.03441	4.0
69.37300	7.1
71.01377	35.7
72.99281	2.9
73.02950	1.5
77.72366	0.8
78.95887	2.8
83.01376	3.7
85.02933	9.9
87.00814	1.1
89.02436	70.1
95.01384	6.9
96.96952	1.2
97.02941	1.9
99.00858	2.1
101.02428	4.3
106.04210	1.1
111.00881	9.3
113.02435	47.4
114.02750	1.0
116.05076	7.4
116.05772	1.3
116.36134	1.0
119.03491	3.2
119.05032	2.2
123.00868	2.7
124.03973	0.9
131.03482	13.2
133.06892	1.1
135.04469	1.1
137.06055	9.6
138.06369	2.4
141.01923	17.6
142.06593	12.1
149.04549	29.0
149.05870	1.8
152.03459	1.3
161.02434	2.3
168.08189	2.2
168.40886	0.9
176.07115	1.8
192.69962	0.9
194.08177	1.5
214.12292	1.1
215.12686	1.4
219.09137	1.0
231.12540	1.3
232.13393	1.4
245.10765	1.1
246.14934	1.8
247.08656	2.2
247.12709	1.0
247.15282	3.3
251.08156	1.4
264.15717	1.0
265.09958	1.3
273.10278	2.5
273.12921	1.3
290.13940	2.6
291.07202	16.9
291.14328	2.1
301.69357	1.0
305.12750	5.0
309.15213	1.3
322.16583	3.4
323.13882	33.1
323.16959	3.2
324.14313	1.5
340.17584	1.0
364.17578	1.5
365.17834	2.9
383.19012	2.0
409.13852	1.1
410.32217	1.0
429.21005	2.1
487.33426	1.2
547.23566	12.0
548.23566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07066	0.3
59.01372	100.0
59.48166	0.2
60.01705	0.5
61.98824	1.0
69.41574	2.3
75.00872	1.5
81.96810	0.3
94.93927	0.2
127.58413	0.3
202.53337	0.3
209.61465	0.3
232.81584	0.3
239.79010	0.3
300.44473	0.3
471.34579	1.7
547.27765	1.2
547.36578	5.6
548.36945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01710	0.5
61.98821	0.4
68.98260	0.3
69.79129	1.7
78.88055	0.3
98.19341	0.3
98.20622	0.3
134.81569	0.3
140.57425	0.3
144.86314	0.3
214.79646	0.3
226.47121	0.3
251.16585	0.3
405.31741	1.1
407.33475	1.2
413.30496	0.4
425.34311	2.4
426.34729	0.4
427.32471	0.4
439.32269	0.4
457.33646	0.4
487.34198	15.1
488.34787	1.8
547.30017	4.1
547.36902	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	13.2
60.99281	1.8
61.98826	5.6
62.50010	0.9
62.70411	1.0
66.37451	1.0
71.04998	2.6
71.61486	1.1
72.99307	6.5
77.25744	1.0
78.95892	11.7
91.41162	0.8
96.95998	4.0
96.96933	1.8
116.05035	8.4
120.78773	0.9
133.02917	2.0
135.04492	6.2
142.06598	11.8
149.05983	2.1
150.05612	1.2
152.99585	14.9
153.99899	1.1
161.02414	3.4
162.05565	1.1
166.50665	1.1
168.08102	1.3
176.07224	1.1
179.03455	5.7
194.08324	1.6
217.89606	1.0
247.08723	3.3
251.08115	1.8
251.20113	6.0
255.59634	1.0
273.10312	2.2
277.21704	3.0
278.21982	2.9
279.11249	1.8
305.12888	5.0
323.13971	26.5
324.14328	2.7
341.24567	1.1
345.54507	1.0
376.33600	0.9
387.29156	2.1
389.28247	2.1
397.30856	1.1
405.31808	5.4
407.33301	1.8
409.31247	1.3
411.32837	1.0
413.34131	2.0
425.34332	5.7
427.32169	5.6
431.21982	2.2
439.32181	2.2
441.33609	2.1
443.35452	1.7
454.87619	1.1
485.32266	2.5
487.34219	100.0
488.34348	9.7
547.28210	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65738	0.5
52.04544	0.5
59.01372	100.0
60.01703	0.8
60.98087	0.5
61.98825	7.3
69.40081	1.5
69.40502	2.5
73.02958	0.6
74.59747	0.5
87.46175	0.4
97.82155	0.6
102.15913	0.5
405.31708	1.0
421.31277	0.7
438.51184	0.5
439.32315	2.4
443.35385	3.8
487.34290	8.0
488.35114	0.7
501.70642	0.7
547.29663	1.0
547.36694	6.2
548.37872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	2.4
59.01377	40.4
61.98815	13.3
70.51073	7.7
71.01368	7.7
75.07018	1.8
75.73225	1.8
78.49698	2.1
78.95886	15.2
85.02937	5.2
89.02421	5.5
95.01363	3.7
96.96001	6.0
96.96954	4.1
101.02417	8.4
113.02435	11.7
116.05042	26.9
119.03526	3.9
123.04510	2.2
124.04044	4.9
133.02942	4.3
135.04507	5.4
137.06114	2.5
142.06612	43.9
143.07060	2.7
149.06070	7.1
150.03123	2.3
150.05606	2.9
152.99629	2.5
154.05371	3.5
161.02429	14.5
162.05540	2.9
168.08163	5.2
176.07108	6.0
178.06628	2.9
179.03450	4.0
194.08163	4.4
206.05994	2.4
219.09277	3.6
245.10759	2.4
247.08667	7.6
249.18544	39.9
251.08188	5.8
273.10324	7.2
279.11288	5.6
297.24353	2.7
301.21606	17.6
305.12906	18.4
305.59332	2.1
315.23093	2.7
323.13962	93.5
324.14246	8.3
385.21194	3.0
471.34604	4.9
472.35019	7.2
474.26190	17.8
478.07187	2.7
487.34201	100.0
488.34442	9.4
489.34689	3.1
547.30023	50.6
548.29987	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97538	2.2
59.01373	100.0
61.98817	27.3
62.97396	2.5
69.85194	6.2
69.85596	9.2
85.02926	2.9
161.02269	2.8
168.84691	2.3
179.52379	2.7
295.21774	2.7
469.33481	5.8
487.34283	56.5
488.34491	9.5
489.35263	3.1
547.29828	46.7
548.29742	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	548.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29106	0.4
59.01373	100.0
60.01722	0.8
69.27475	1.6
69.27901	2.4
71.01375	33.6
72.01730	0.4
74.98709	0.4
88.04042	1.8
93.03468	0.7
102.53858	0.5
105.34158	0.4
106.04246	1.5
107.05027	1.0
115.00361	78.0
116.00706	1.0
117.80165	0.4
119.05009	3.2
120.05355	0.5
135.04517	3.1
136.04869	0.6
137.06067	38.0
138.06415	0.8
149.06087	0.6
151.58965	0.4
161.02405	0.7
161.04817	1.2
162.05586	1.1
163.04012	0.8
164.04332	0.5
176.07162	1.1
178.05096	0.9
179.03461	2.2
179.07094	3.3
180.03828	1.3
188.07143	0.6
190.08762	0.6
204.10280	0.5
205.03786	0.6
206.04579	1.4
220.06055	2.1
220.09750	0.7
230.08217	0.7
248.09288	0.9
280.11868	1.2
302.99475	0.4
322.12875	0.7
326.10315	1.5
340.11475	0.6
368.11255	0.7
386.16138	0.5
400.14056	1.7
504.18652	2.0
548.17664	19.8
549.18207	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	548.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
69.03463	1.2
69.74861	7.3
71.01362	1.3
73.02943	1.4
74.87371	1.3
75.27126	1.1
77.68410	1.2
84.04543	2.5
85.02940	1.7
89.02412	1.5
100.04037	3.4
100.14165	1.4
100.20155	1.5
101.02426	7.1
102.05599	21.4
107.05022	1.8
118.06609	1.7
119.05007	4.1
120.04551	2.4
120.05316	1.6
122.02474	11.1
122.62787	1.2
123.04477	1.5
124.04005	1.6
125.62292	1.2
128.03540	1.7
130.06569	1.6
131.03708	3.8
133.02899	1.6
134.06093	2.2
135.04434	1.2
137.06087	4.9
142.06615	4.6
144.04579	3.0
145.05334	15.6
146.04639	7.7
146.06042	4.8
149.02469	1.6
150.05580	19.3
158.06068	2.2
159.06836	2.2
160.07651	16.0
161.02345	1.8
162.05544	4.8
163.03987	3.7
163.06377	4.4
164.04691	1.6
164.07115	2.0
165.05470	1.5
173.04774	6.6
174.05505	2.3
176.07080	3.2
178.05156	8.3
178.08701	32.3
180.06657	24.7
186.05608	2.6
188.07143	17.8
192.06647	2.4
192.10323	1.4
200.07034	2.1
202.08707	22.8
206.04552	4.7
220.06062	2.7
220.09743	34.7
222.07687	10.7
225.11293	3.5
225.82770	1.4
230.08130	1.4
232.06071	1.5
232.09698	1.3
240.08771	10.7
246.07637	3.0
262.10773	6.6
264.08704	8.0
306.09787	5.0
324.10852	13.6
326.10242	2.0
334.51678	1.3
341.10059	1.5
359.11273	1.5
373.08115	1.4
412.13965	1.6
504.18069	2.9
529.44751	1.3
548.17627	37.2
549.17542	2.1
549.29022	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	548.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01675	1.1
63.94430	1.0
65.79827	0.9
70.23138	2.1
70.23531	2.1
71.01365	2.8
75.00821	1.1
78.58322	0.9
79.15508	0.9
84.04522	2.4
85.02924	2.9
92.03130	1.0
93.03464	1.7
98.20605	1.3
100.04035	2.9
101.02430	7.5
102.05597	19.4
105.03468	1.0
116.05063	1.4
118.06599	2.4
119.05010	4.3
120.04491	1.9
120.05300	1.5
122.02454	9.8
124.03970	1.1
128.03484	1.3
129.67567	1.0
130.05009	1.2
130.06602	1.3
131.03775	2.6
134.06073	1.5
135.03258	1.4
135.04475	2.1
137.06073	5.0
142.06569	2.9
144.04552	2.8
145.05341	16.0
146.04599	9.5
146.06108	5.5
148.03992	1.3
149.02403	1.1
150.05569	19.3
152.03416	1.5
152.07161	1.2
158.06064	2.7
159.06874	2.2
160.03882	1.3
160.07654	16.5
161.02397	1.9
162.05576	6.3
163.03969	2.3
163.06316	3.0
164.04654	1.7
164.07074	1.7
165.05450	1.1
166.04977	1.4
170.06131	1.2
173.04797	8.0
174.05533	3.7
176.07130	3.6
177.04253	1.4
177.05626	1.7
178.05125	7.8
178.08694	30.4
179.03467	1.3
179.05766	2.7
179.07170	1.2
180.06635	24.5
186.05586	2.4
188.05508	1.5
188.07138	19.2
190.05083	1.2
190.08710	1.6
192.10197	1.8
200.07195	1.8
202.08711	22.2
203.09268	1.2
204.06523	1.5
206.04527	3.5
208.06065	2.2
220.09755	32.8
221.04605	1.3
221.10007	1.3
222.07693	13.6
225.37303	1.1
230.08141	1.8
240.08734	12.9
246.07672	2.8
262.10773	5.1
264.08722	9.2
281.06644	1.5
292.54547	0.9
306.09702	6.4
324.10834	13.6
326.10190	2.3
366.11710	1.7
384.12442	1.2
412.14093	1.4
504.18280	3.1
524.10388	1.1
548.17645	35.9
549.18365	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	548.2129
Annotation	Saframycin Yd 2
Peak:m/z	Relative Intensity
50.69647	0.4
53.01555	0.4
58.98115	0.4
59.01372	100.0
61.98827	1.3
65.03947	0.4
67.01891	1.2
68.45518	0.4
70.07331	0.5
70.07664	1.8
71.01381	0.6
73.02924	0.7
80.72475	0.4
80.82670	0.4
93.78957	0.4
96.95999	10.1
99.04509	0.8
102.03497	0.4
107.05028	0.8
111.00872	1.6
116.07160	2.5
119.05033	0.8
121.06680	0.4
123.04527	3.1
133.06657	0.4
134.06075	0.5
135.04535	1.9
144.04559	0.4
145.06631	0.5
146.06059	0.9
147.04504	1.7
148.04045	0.5
149.06042	0.5
151.79651	0.5
153.05551	4.2
154.08684	0.6
157.05360	0.7
158.06068	0.6
160.04047	1.5
161.04774	1.1
161.05995	1.0
162.05544	0.9
163.07722	0.7
166.08783	0.8
172.11299	1.4
174.05577	2.9
175.04012	0.4
175.06422	1.1
176.07132	2.2
177.05563	1.6
178.05075	1.1
179.07088	0.5
180.10289	1.3
182.13383	0.4
185.08444	0.5
190.12337	2.4
195.06590	13.1
196.06947	0.4
200.10750	4.8
202.12378	0.8
204.13913	0.7
205.05032	0.5
206.08253	1.9
206.11938	0.5
216.10338	1.0
216.13837	0.9
217.11008	2.8
218.11824	9.5
218.13942	0.5
220.13281	0.5
222.05115	0.4
230.11597	0.5
232.13379	14.1
233.13638	0.6
234.11227	1.0
244.09784	1.8
249.13737	1.1
250.14359	2.4
258.11340	1.2
258.59818	0.4
260.12927	1.2
262.10846	1.8
264.15991	2.3
276.12381	5.7
284.37436	0.4
292.15500	1.7
294.13510	2.6
295.08182	5.2
308.14963	10.0
309.15332	0.6
318.13705	0.6
324.18204	1.1
326.16086	0.9
336.14487	4.1
350.16162	1.0
368.17215	2.6
380.14737	1.2
398.16028	1.4
412.17239	3.2
430.18475	2.4
516.18719	1.7
535.81982	0.5
548.21289	65.2
549.21552	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	548.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
59.01376	25.6
60.01703	0.3
61.98825	100.0
62.24890	0.3
62.98488	0.3
63.18666	0.3
69.37920	2.2
71.01378	4.9
73.02938	2.4
78.95886	0.7
83.01391	0.6
85.02924	2.1
89.02433	1.9
89.20159	0.3
96.96027	0.4
99.00893	0.9
101.02432	3.0
113.02457	1.8
116.05068	1.0
117.05481	0.4
125.02403	0.3
127.92493	0.3
133.03001	0.3
142.06631	2.3
142.16896	0.3
143.03462	0.3
143.06961	1.1
143.46371	0.3
149.04633	0.3
149.06009	0.3
159.03003	0.4
161.04543	2.0
179.05711	0.4
194.08279	0.3
203.05469	0.4
220.09778	0.3
303.04620	0.3
305.12891	0.5
306.13260	0.7
323.13947	2.5
324.14273	4.7
325.14288	0.3
357.22699	4.8
399.23761	1.8
441.24924	0.9
489.27097	3.7
548.26135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36929	0.3
57.03442	0.4
59.01371	20.5
59.41874	0.3
61.98820	100.0
69.43147	2.7
71.01370	5.9
73.02940	5.9
74.02451	0.7
74.03522	0.3
78.95907	0.5
83.01374	2.5
85.02922	1.5
87.00862	0.5
88.05865	0.4
89.02438	1.7
96.95995	0.6
101.02428	8.8
113.02428	3.2
116.05039	2.3
117.05354	0.7
119.03515	1.3
119.04938	0.3
125.02351	0.4
129.02007	0.3
131.03503	0.9
135.04494	0.6
139.78999	0.3
142.06598	4.4
143.03516	1.1
143.06979	2.5
149.04562	1.3
149.06062	0.6
161.02406	0.7
161.04541	3.6
168.08206	0.3
176.07162	0.4
179.05664	0.4
180.03693	0.3
194.08304	0.5
219.09148	0.4
221.06665	0.8
222.11597	0.3
247.08765	0.9
251.08185	0.6
252.08511	0.6
252.11037	0.3
273.10077	0.5
274.10712	0.7
305.13031	1.0
306.13269	1.2
323.14020	4.1
324.14279	7.5
325.14694	0.3
357.22684	2.1
489.26935	3.1
548.25934	1.4
548.33618	0.8
549.24866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43520	0.3
59.01372	27.5
61.98822	100.0
68.01747	0.4
70.68742	0.4
71.01381	2.1
71.62090	0.6
73.02927	0.5
81.87222	0.4
85.02964	0.8
87.59137	0.4
89.02457	1.1
93.03513	0.4
101.02460	0.9
103.87682	0.4
113.02476	1.1
119.05011	0.4
123.04494	1.0
129.88411	0.4
135.04494	0.4
137.40405	0.3
140.05362	0.3
153.05605	0.8
161.02417	0.9
161.04517	0.7
179.03476	0.7
195.06639	0.6
201.69995	0.4
336.70596	0.4
381.23096	0.5
399.23950	0.7
441.24890	1.0
548.22009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06241	1.2
57.80273	1.4
58.00581	6.2
59.01371	94.4
59.14939	1.3
67.01871	2.9
68.99810	5.3
69.03447	11.0
70.65355	3.2
71.01373	35.6
72.99296	7.0
73.02939	43.8
80.44804	1.8
81.03434	1.5
83.01366	2.2
85.02943	20.4
86.00118	1.5
87.00863	19.1
87.04511	7.8
89.02435	32.8
93.03452	21.9
95.01367	2.4
95.05009	3.0
95.82874	1.6
96.95988	8.1
98.19988	2.1
98.20536	1.5
98.95553	1.5
99.00858	4.7
99.04514	1.6
101.02434	76.3
103.04005	28.0
103.04678	1.1
104.04352	1.8
111.04505	5.1
113.02425	11.5
115.03992	6.3
117.03429	1.5
119.03489	13.8
121.02921	5.3
125.02439	4.9
126.65060	1.3
127.03998	5.1
131.03479	11.6
134.03708	5.7
135.04501	1.9
143.03481	18.2
145.05038	10.6
163.06105	100.0
173.04512	6.1
191.05580	70.5
192.05923	2.1
193.04991	3.7
197.08162	2.9
201.70689	1.7
205.07150	28.5
223.06111	9.2
225.07668	3.2
265.09195	6.9
367.10233	27.0
549.21899	31.0
550.22534	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	549.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03439	0.9
58.00597	3.6
59.01371	73.9
67.01884	11.5
68.99809	10.0
69.03448	21.1
71.01376	29.5
71.61443	1.3
72.99305	5.5
73.02937	32.3
75.00837	1.0
81.03470	0.8
83.01377	1.6
84.99140	0.6
85.02940	13.0
86.00092	2.3
87.00863	13.4
87.04510	6.2
89.02438	23.6
89.08451	0.7
93.03458	2.6
95.01395	1.5
95.05016	35.6
96.95982	1.2
97.02930	0.7
99.00873	1.3
99.04472	3.3
101.02432	76.4
102.02749	1.0
103.03999	26.0
108.02152	1.2
109.03012	0.7
111.00870	20.2
113.02447	3.4
115.04004	8.7
116.21287	0.7
119.03503	9.7
119.05013	2.7
121.02946	90.5
121.06557	4.1
122.03281	2.5
123.04519	23.8
125.02444	3.5
127.03999	22.6
131.03499	14.3
133.02985	0.8
133.05089	0.7
135.04485	1.4
137.06087	2.8
138.99303	0.7
139.00371	15.7
139.04008	2.4
143.03494	17.2
145.05048	8.0
147.04526	3.8
149.02406	3.6
153.05588	1.0
161.02437	0.8
161.04562	1.1
163.06107	100.0
164.06432	1.3
165.05542	16.1
179.07126	3.0
181.05121	4.2
191.03569	2.1
192.76399	0.7
205.07144	31.7
209.04541	1.7
223.01660	0.7
223.04004	1.3
223.06094	15.8
235.08237	1.5
242.69032	0.6
259.79636	0.7
265.09274	10.2
295.10461	1.0
307.10303	1.4
325.11508	3.1
479.13834	0.8
517.15564	36.3
518.15942	2.5
540.96600	0.7
549.18158	33.0
549.26117	1.7
550.18665	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	549.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03448	1.1
58.00569	1.0
59.01371	23.4
67.01885	0.4
68.99812	0.4
69.03449	0.3
69.58302	1.1
71.01373	23.6
72.99294	1.2
73.02940	3.8
75.00874	0.9
78.95914	0.2
81.03451	0.2
83.01379	2.3
85.02940	8.8
86.00089	4.0
87.00312	0.2
87.00440	0.1
87.00864	8.2
89.02431	17.2
93.03442	0.9
95.01371	2.5
97.02960	0.4
98.20605	0.3
99.00856	1.3
99.04507	0.3
101.02428	14.1
102.02789	0.2
108.02152	1.0
109.02946	1.1
111.00881	0.7
111.04540	0.2
113.02435	8.6
115.00345	0.2
119.02627	0.4
119.03484	7.1
120.02161	0.3
121.02946	2.3
122.03709	0.7
123.00874	0.6
123.04503	1.1
124.01670	0.8
125.02425	0.3
129.01941	0.5
129.05545	0.3
131.03497	0.7
131.04993	0.4
132.02222	0.3
133.02927	0.7
134.03720	8.1
135.04527	2.0
136.01620	1.2
136.02570	0.2
137.02429	3.4
137.03481	0.3
138.03212	0.4
141.01894	0.2
143.03503	0.9
143.05009	0.3
145.02974	0.8
146.03705	0.6
147.00853	1.2
147.04515	0.4
148.01639	6.9
149.02434	1.3
149.04565	0.6
149.06058	4.4
150.03220	1.0
151.03978	1.0
153.05577	1.9
158.03648	0.2
159.02974	0.9
159.04497	2.8
160.01608	0.3
160.05284	1.7
161.02429	4.0
161.04518	2.5
161.05864	0.3
162.03166	0.5
163.03986	3.3
164.04727	0.4
165.05565	0.3
171.04530	0.8
172.05272	0.5
173.02441	0.5
173.06107	0.2
175.03952	1.3
175.07547	0.2
176.04744	1.6
177.01947	1.0
177.05489	0.5
178.02669	0.7
178.08807	0.2
179.03410	0.2
179.05620	1.2
180.04271	1.7
187.03969	3.5
188.04756	12.7
189.05345	0.7
191.03407	0.2
191.07085	1.3
192.04233	0.4
193.05070	0.6
195.06573	0.7
195.13846	0.3
203.07097	15.4
204.07515	0.5
206.05742	0.3
221.08272	0.2
252.08824	0.2
254.05966	0.4
265.05072	0.3
269.08069	0.9
277.45776	0.2
279.06665	0.3
280.07443	0.5
281.08292	0.3
282.05258	0.5
283.09717	0.6
295.09485	1.2
296.07187	0.2
296.10455	0.5
297.07660	2.2
297.11258	0.6
298.08035	0.3
309.07443	0.3
311.09225	1.2
312.09985	7.8
313.10370	1.0
324.10117	0.5
326.11441	0.3
327.12292	7.2
328.12790	0.5
339.12314	0.3
342.10965	2.2
344.12466	0.3
354.10983	0.3
357.13336	2.6
358.13916	0.3
369.13266	1.6
372.12057	12.4
373.12436	0.6
387.14410	100.0
388.14746	6.8
431.17029	0.2
459.16473	0.9
549.19330	2.1
550.20477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1969
Annotation	Eucommin A
Peak:m/z	Relative Intensity
52.52835	0.9
59.01369	11.4
68.79916	0.8
69.40617	3.0
69.41026	4.6
70.94867	0.9
71.01360	4.9
85.02934	2.3
89.02440	2.6
93.03429	1.1
101.02450	2.1
113.02428	1.7
113.35056	1.0
115.00368	3.0
119.04988	1.4
121.02964	4.5
122.03730	1.5
123.00822	1.2
130.48897	1.0
133.02985	1.0
134.03719	1.3
135.04556	1.1
136.01645	27.2
137.02435	3.9
147.04553	1.3
151.00343	9.0
151.03973	35.6
152.04575	1.2
161.02402	1.4
161.04539	1.3
163.03934	1.4
166.02689	32.5
167.03226	0.9
175.03941	1.8
175.07629	1.8
176.01141	2.2
177.01878	1.7
181.05038	42.1
190.02789	1.2
190.06421	1.6
190.12500	1.1
191.03520	2.4
195.06610	3.9
205.05119	1.1
209.04657	1.2
247.39296	1.0
357.09674	8.8
358.05362	1.1
372.12308	4.9
375.20190	4.0
387.14413	100.0
388.14874	6.5
423.81326	1.5
549.15900	4.0
549.24951	1.7
550.15802	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	549.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29158	0.3
53.68390	0.3
55.34608	0.3
57.03440	3.6
58.00577	1.5
59.01373	46.7
60.01696	0.4
67.53301	0.4
71.01372	17.2
71.05003	0.7
72.99293	1.4
73.02950	0.8
79.05524	0.8
83.01375	1.4
83.05022	5.2
85.02947	3.7
87.00866	9.5
89.02435	20.3
93.03434	0.8
93.07023	0.4
95.01364	0.9
95.05005	1.0
96.95998	0.7
97.06589	2.7
99.04446	0.4
101.02434	10.7
104.69549	0.3
105.07077	1.1
106.04253	0.4
107.05016	8.7
113.02438	8.5
113.06143	0.4
119.03531	6.4
119.05009	15.2
120.05817	4.0
125.06097	0.5
131.03450	0.7
132.05804	0.6
133.06555	0.6
133.10205	0.9
135.04500	3.9
135.08142	1.4
135.11765	1.4
137.02434	0.4
137.06082	2.9
141.05560	1.6
143.03459	0.6
143.08646	0.5
145.10204	0.6
146.07368	0.9
147.08147	0.8
152.04744	1.1
157.06483	0.5
159.08125	1.1
159.11757	1.1
161.02441	0.5
161.04543	1.1
161.09700	18.2
161.13335	12.4
161.81332	0.3
162.10045	0.5
163.11287	2.3
171.08087	1.1
172.08905	0.9
173.04509	1.0
174.06836	0.4
179.03378	0.7
179.05617	2.3
179.10738	3.3
185.09724	0.4
185.82921	0.4
187.11261	29.8
188.11586	1.4
189.09183	18.2
190.09569	0.9
199.12112	0.4
203.10739	2.2
205.12305	14.3
206.12581	0.6
207.10226	4.5
221.11832	0.6
223.13403	0.9
231.10222	2.1
249.11281	10.0
250.11754	0.5
267.12308	3.1
281.10226	1.0
299.11319	11.0
300.11505	0.4
341.36365	0.3
405.15448	3.6
487.23364	0.6
531.22296	1.2
549.23322	100.0
550.23669	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	549.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
58.00568	2.1
59.01371	40.6
61.98823	20.1
67.70046	0.6
69.71858	0.6
71.01375	22.5
72.99292	2.6
73.02930	1.3
78.95889	1.1
79.95707	1.1
81.07077	0.8
83.01363	1.5
83.05006	0.8
85.02943	5.8
87.00876	1.3
89.02431	23.1
91.05543	0.8
93.07114	0.8
95.01360	1.2
96.95998	12.1
97.06565	0.8
99.04510	4.5
101.02423	10.9
107.05016	2.1
113.02444	7.1
119.03488	8.4
125.06080	1.6
131.03511	1.0
133.02959	1.0
135.04494	3.0
137.06053	1.4
143.03532	1.2
149.04489	1.1
149.06007	0.6
150.06743	0.8
152.99638	0.8
161.02417	1.7
161.04617	1.3
161.13335	100.0
162.13631	3.7
175.03912	0.7
179.03485	1.8
179.05603	2.1
187.11243	6.4
205.12302	42.6
206.12634	1.6
229.43422	0.8
231.10210	1.3
248.36365	0.7
249.11270	10.7
267.12189	1.0
325.18051	8.0
369.16986	76.8
370.17319	5.3
394.82056	0.8
428.45001	0.7
489.26117	2.1
513.26923	2.3
549.22906	10.7
550.23419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77995	0.2
57.03451	0.3
59.01373	9.5
59.01673	0.5
60.01693	0.9
61.36268	0.2
68.99561	0.3
71.01376	3.9
72.01714	0.4
73.02925	0.3
80.91677	0.5
83.01376	0.3
85.02945	0.8
89.02423	0.9
93.03442	0.3
95.01370	0.2
95.36433	0.3
96.96008	0.3
99.00889	0.2
101.02441	1.1
105.03432	0.8
107.05090	0.3
112.98560	0.3
113.02433	0.7
115.00362	5.5
116.00691	0.8
117.03452	1.7
119.05019	1.7
120.05363	0.6
123.04542	0.5
123.08150	0.7
132.02126	1.5
133.02940	30.6
134.03398	0.5
135.04510	8.0
137.02454	0.7
137.06046	1.8
138.06427	0.7
145.02979	1.0
147.04556	0.3
152.99940	0.3
161.02423	100.0
162.02751	2.5
163.03996	3.0
163.11288	0.5
164.04317	1.1
165.04425	0.6
173.04576	0.3
177.05429	0.4
179.03464	3.5
189.12816	0.9
195.06230	0.2
207.13792	0.3
253.14529	0.4
274.06369	0.3
286.04230	0.3
450.00491	0.3
505.19437	0.3
531.31024	0.3
549.23395	75.7
550.23694	6.6
550.31604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01373	1.6
69.26474	1.3
69.26875	0.2
71.01375	1.6
72.99304	0.2
73.02946	0.5
73.23156	0.1
77.03958	0.2
83.01401	0.2
85.02917	0.8
89.02467	0.7
89.03956	0.2
93.03426	0.2
95.01359	0.2
95.05006	0.2
99.00850	0.3
101.02425	0.8
102.38572	0.1
105.03479	0.6
107.05000	0.3
113.02447	0.4
114.09290	0.1
115.01874	0.2
117.03461	1.4
119.03466	0.2
119.05023	0.2
121.03001	0.2
123.04501	0.3
123.08163	0.7
132.02155	1.7
133.02942	31.2
134.03650	0.8
135.04512	7.5
137.02435	0.6
137.09685	0.3
139.04030	0.2
161.02431	100.0
162.02774	2.8
163.03957	0.4
163.11282	0.4
173.04529	0.3
179.03477	3.7
189.12807	1.0
207.13942	0.6
221.04512	0.2
221.06583	0.1
302.32529	0.1
313.09464	0.1
369.17499	0.2
387.14197	0.2
517.91046	0.2
526.61353	0.2
537.47321	0.2
549.23309	72.0
550.23639	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	549.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03434	3.2
58.00577	1.5
59.01372	46.1
60.99292	1.3
61.98816	2.3
66.90907	0.7
70.91814	2.0
71.01369	14.5
72.99291	1.0
73.02905	0.8
74.26762	0.6
75.19333	0.7
83.01374	0.7
83.05011	4.9
85.02943	3.1
87.00868	8.2
88.98810	4.4
89.02431	21.0
94.51191	0.8
95.01389	0.7
95.05057	1.2
97.06570	2.3
101.02430	9.0
106.85578	0.6
107.05014	7.4
113.02424	5.7
119.03490	9.2
119.04999	12.1
120.05783	3.1
131.03499	0.9
132.64000	0.8
133.02896	0.9
134.02637	0.7
135.04489	4.7
135.08163	1.1
135.11772	1.2
137.06061	2.6
141.05537	1.7
143.96057	0.7
146.07385	0.8
147.08195	0.7
151.01131	0.8
152.04741	1.2
157.06575	1.5
159.08102	1.2
159.11844	1.4
161.02388	1.4
161.09712	16.8
161.13329	9.5
163.11259	1.6
179.05595	1.3
179.10796	2.3
185.09743	0.8
187.11255	25.0
188.11652	0.9
189.09192	18.0
203.10747	2.8
205.12277	11.8
206.12486	0.8
207.10199	4.4
231.10306	1.8
249.11237	9.1
267.12317	3.3
299.11322	8.0
367.11377	0.9
405.15628	3.9
416.83194	0.7
487.23245	1.2
489.55554	0.8
489.63275	0.8
531.22559	1.3
549.23358	100.0
550.23718	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	549.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70751	0.1
57.03421	0.2
59.01373	1.9
69.26669	1.2
71.01369	1.6
73.02937	0.4
83.01385	0.3
85.02939	0.8
89.02432	0.9
89.03976	0.2
93.03424	0.2
95.05045	0.2
96.95955	0.2
97.02959	0.2
98.14474	0.1
99.00890	0.2
101.02438	1.0
104.02719	0.1
105.03436	0.5
107.05021	0.4
109.02942	0.2
113.02431	0.4
115.01894	0.3
117.03462	1.1
119.03514	0.2
123.04533	0.3
123.08156	0.7
131.03566	0.2
132.02153	1.5
133.02940	30.3
134.03625	0.8
135.04512	7.6
137.02429	0.6
139.00363	0.2
139.03952	0.2
145.02911	0.4
147.14630	0.1
149.02512	0.2
160.01607	0.3
161.02425	100.0
162.02769	2.6
163.03990	0.3
163.11281	0.6
173.04553	0.3
175.04047	0.2
177.05440	0.2
179.03482	3.8
189.12820	1.0
205.05093	0.2
207.13904	0.5
221.04651	0.2
295.42767	0.1
387.14526	0.2
399.28140	0.2
549.23315	76.2
550.23663	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	549.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93521	3.2
59.01355	12.4
61.98826	3.5
69.85641	3.0
70.89693	2.9
70.90033	6.8
71.01371	13.3
73.02934	8.2
73.56743	2.7
80.21777	3.1
83.01387	3.1
85.02928	9.5
89.02445	4.2
101.02409	11.8
106.06110	2.9
106.61211	2.7
113.02433	7.1
149.16702	2.5
161.04474	5.4
251.32549	2.6
357.22464	3.3
381.22733	6.3
489.26559	4.5
513.27008	86.1
514.27209	10.4
530.39465	2.9
549.24622	100.0
550.24805	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	549.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66542	2.7
59.01369	25.3
61.98817	4.3
68.99563	27.1
70.62500	8.1
71.01373	14.9
73.02934	4.3
85.02914	7.4
89.02430	7.0
90.86617	2.6
99.00847	3.6
101.02423	8.4
104.71132	2.8
112.98548	30.2
113.02474	5.0
125.02345	3.0
161.04526	5.2
168.37602	2.5
195.17836	2.9
357.31631	2.8
381.22998	2.7
389.48779	2.9
417.28476	2.9
445.31531	3.3
511.25250	5.3
513.26941	60.8
514.27234	3.6
519.26282	3.0
549.24567	100.0
550.24915	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	549.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76702	0.8
57.03447	1.7
58.00579	1.9
59.01374	53.7
61.98820	1.2
67.01871	0.9
69.03436	1.3
71.01378	27.6
72.99288	2.1
73.02940	3.3
75.00858	1.2
81.03450	1.0
83.01373	1.8
83.05020	2.9
85.02943	8.9
87.00858	2.2
89.02437	28.0
93.03444	8.7
95.01379	2.2
95.81032	0.8
96.95988	1.8
98.20638	1.5
99.00846	1.5
101.02425	18.2
101.03077	1.1
107.68079	0.7
111.00854	1.2
111.04506	6.3
113.02437	12.2
114.01914	0.9
116.92834	2.4
117.01872	1.4
119.03478	10.2
119.04935	0.8
121.02934	3.9
123.53158	0.9
126.19472	0.7
127.03999	0.9
129.01953	1.0
131.03488	0.7
133.02933	3.3
134.03706	2.7
135.04527	4.9
136.79794	0.8
137.02435	3.2
143.03455	1.1
145.02975	1.5
149.02460	1.3
151.00281	0.8
151.03978	1.7
155.03467	7.6
160.01637	1.4
161.02399	7.6
166.02708	1.1
167.03450	0.9
173.04532	24.3
175.04001	1.4
177.04031	1.4
179.03447	2.5
181.04985	2.4
183.10127	0.9
183.13924	0.8
190.02795	1.1
191.03773	1.1
191.05565	4.7
191.07042	1.0
193.05054	2.1
195.13882	16.1
205.05003	1.0
213.14902	5.2
223.05948	0.9
265.07205	1.9
271.05988	1.1
323.09109	1.5
325.09192	0.9
339.08597	3.2
347.48721	0.8
369.13507	5.2
375.20166	100.0
376.20523	5.0
387.14526	4.0
435.14713	1.1
491.36105	1.0
505.15994	0.9
513.89008	0.8
531.15930	1.1
549.16809	5.0
549.25446	79.1
550.25867	6.3
568.60736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57585	91.1
69.57990	97.8
70.47636	33.1
85.34038	27.9
98.19814	56.4
152.99573	47.4
171.67247	31.2
190.91066	32.4
243.63904	33.2
263.79370	30.8
277.21649	100.0
358.79391	35.0
491.05661	37.0
549.28094	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.2
55.18641	1.8
57.03439	3.5
58.00581	2.2
59.01377	100.0
60.01694	2.2
61.98825	85.3
71.01376	51.1
71.17981	3.6
71.18310	2.7
71.38869	1.8
72.99287	3.5
73.02937	18.8
78.95911	8.3
83.01390	10.6
85.02944	28.7
87.00851	3.1
88.98797	6.2
89.02431	19.9
93.34212	1.7
95.01379	4.8
96.95998	3.5
97.02932	3.1
99.00888	6.2
101.01776	2.5
101.02434	44.5
113.02445	26.2
116.04995	3.9
119.03515	5.0
121.02822	2.2
131.03427	2.6
133.02885	2.6
135.04495	10.5
142.06598	5.3
143.03474	2.1
143.06915	3.4
149.04526	5.7
161.02426	8.9
161.04535	18.1
179.03455	2.5
179.05676	2.3
181.08728	10.1
212.25262	2.3
306.13486	2.0
311.09412	4.7
323.13907	6.5
324.14136	8.4
325.14377	7.6
337.13019	3.5
357.22775	96.8
358.22989	4.7
369.13184	3.4
370.14188	7.4
413.15985	20.1
445.31537	8.3
457.27466	2.4
463.32376	3.5
484.20862	3.4
489.15903	3.1
489.27023	61.8
489.33826	2.5
490.27338	6.2
501.15518	3.8
513.26929	7.9
519.20203	7.4
531.20215	5.9
549.23236	8.1
549.36230	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	549.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
57.03439	1.1
59.01373	35.4
61.98812	2.3
71.01373	31.5
72.99303	1.3
73.02941	14.3
75.00840	1.2
82.26383	0.8
83.01373	6.3
85.02937	15.5
87.00877	1.6
89.02425	9.1
95.01378	2.6
99.00862	6.5
101.02433	28.3
108.21783	0.7
111.74689	0.7
113.02451	12.0
123.04505	1.2
125.02436	1.2
129.01921	1.3
131.03531	0.9
143.03433	1.1
149.04475	1.1
153.05487	2.0
159.02975	2.0
161.04543	9.6
162.52815	0.7
180.10339	1.1
357.22772	19.6
358.23129	1.1
386.26990	1.0
445.31613	3.1
463.32861	2.2
469.71988	0.8
489.26974	100.0
490.27353	6.8
511.25433	1.6
513.27094	5.5
549.24445	10.0
549.32562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19062	0.1
59.01371	7.5
60.01692	0.1
60.71152	0.1
61.98821	0.1
68.89172	0.1
70.02974	1.0
70.84428	0.1
71.01368	0.4
71.25721	0.1
72.93173	0.1
73.02924	0.2
78.95895	0.5
79.95732	2.5
85.02939	0.1
89.02453	0.3
93.03426	0.2
94.13826	0.1
96.95997	100.0
97.95936	0.2
99.31781	0.1
101.02437	0.3
103.04015	0.2
106.06663	0.2
107.05006	0.1
114.01963	2.1
119.03569	0.1
119.05028	0.9
121.02934	0.4
122.02447	0.1
123.04537	0.2
133.02934	0.2
134.03697	0.3
135.04492	0.3
142.81421	0.1
145.02943	0.4
148.04062	0.1
149.04720	0.1
151.04025	0.2
153.05569	0.2
153.84818	0.1
160.32483	0.1
161.02415	0.4
163.03978	1.1
164.04697	0.2
164.07118	0.2
165.05424	0.1
166.05099	0.1
167.03474	0.1
172.12727	0.1
173.04532	0.2
175.05251	0.2
175.50095	0.1
178.05063	0.3
179.03329	0.2
191.05629	0.4
195.06607	3.5
196.06935	0.2
213.37996	0.1
249.08815	0.3
309.10815	0.1
325.11420	0.2
353.09845	0.2
357.15311	0.2
369.13208	0.2
375.10416	0.1
412.64282	0.1
424.00604	0.1
549.16962	1.5
549.25818	0.5
550.16724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.8
61.98814	1.3
62.70060	0.3
71.01373	2.3
73.02925	0.8
73.50031	0.3
74.95208	0.3
78.95894	8.5
83.01380	0.3
85.02950	0.8
87.00873	0.4
89.02439	2.0
96.96926	1.6
101.02431	2.4
113.02431	1.3
119.03439	0.5
121.02879	0.6
131.61603	0.4
143.03433	0.4
152.99580	8.0
161.04546	0.5
171.00655	0.3
197.02145	2.6
206.59700	0.3
235.08185	1.9
253.06601	0.7
253.09258	12.3
253.21680	100.0
254.22026	4.8
277.21664	8.3
278.22012	0.6
406.68311	0.3
489.30731	0.6
549.28351	11.1
550.28857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01706	0.6
61.98823	28.8
71.05007	0.6
71.09093	1.1
75.00893	1.3
91.53624	0.5
95.05015	1.1
96.33039	0.5
96.96014	1.1
99.94426	0.4
102.59469	0.5
112.10944	0.4
121.02975	1.1
210.82033	0.5
266.52109	0.5
269.97852	0.5
282.42923	0.5
379.03549	0.5
405.31830	1.0
435.32727	2.7
441.98813	0.6
445.36203	0.6
453.33652	12.2
454.33841	0.7
467.31726	1.4
471.34723	3.7
489.35803	19.7
490.36414	1.9
549.31378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01704	1.0
61.98827	2.9
68.99561	6.0
68.99912	0.5
69.70405	2.1
71.01371	0.9
75.00848	0.6
79.95723	0.4
85.02961	0.8
96.95995	13.7
98.95656	0.4
101.02440	0.6
112.98550	6.6
113.98887	0.7
119.05052	0.5
120.27721	0.4
122.02473	0.4
123.04560	0.6
135.04495	0.5
137.06075	2.4
139.64027	0.5
148.04366	5.8
150.05641	0.6
151.04076	0.8
159.95364	0.4
161.02380	0.5
165.05615	1.2
178.05157	1.7
179.07115	22.0
180.07523	0.5
183.10243	0.4
186.05605	0.9
188.07515	0.5
192.04970	0.8
192.06628	0.5
198.05934	6.2
202.23264	0.4
218.08315	0.5
224.07489	3.4
230.08521	0.5
242.08334	1.1
250.09106	0.7
254.08603	0.5
260.09296	1.1
266.08478	4.5
268.06522	2.6
282.11774	1.3
284.09790	0.4
292.04816	0.4
296.09555	5.7
308.09579	5.5
309.10089	0.5
326.10516	2.1
340.08847	1.3
345.29938	0.5
368.11859	0.8
386.12677	0.6
396.07892	0.5
490.34894	0.8
518.20239	0.8
550.17084	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	550.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44528	0.9
59.01373	100.0
67.01884	1.2
68.99809	0.8
69.29634	6.5
71.01369	1.2
74.02470	1.1
85.02927	1.5
87.00851	0.8
87.46324	0.7
89.02391	0.9
93.03457	2.1
94.12761	0.6
95.05003	0.7
101.02396	1.2
107.05064	1.0
117.03439	1.3
119.05004	2.0
121.02757	0.7
123.04504	4.2
123.14867	0.7
133.02917	2.4
134.03636	0.9
135.04469	2.9
136.07735	0.7
144.04425	0.7
145.02907	2.0
146.03265	0.9
147.04474	1.2
148.07635	1.6
149.06041	0.7
150.05598	0.8
151.03949	1.4
153.05551	6.5
153.09149	2.0
156.08170	1.3
157.05122	0.8
158.06029	2.4
159.04428	1.0
160.03938	2.2
160.05141	0.8
160.07600	1.3
161.02440	9.1
161.06018	1.7
162.02808	2.4
163.03981	1.4
163.07571	0.9
164.04536	0.8
165.05617	0.9
173.04456	2.5
174.05487	3.3
174.06819	1.0
174.09247	3.5
175.06332	2.5
176.07135	12.0
177.05540	8.2
178.05034	2.1
178.08630	0.9
179.03450	0.9
184.07646	4.5
186.05574	0.8
188.06987	0.9
189.09071	1.0
190.08704	5.8
191.05623	2.7
192.06528	1.1
193.08693	3.5
195.06564	5.2
197.07945	0.8
197.34615	0.7
200.07121	1.9
201.07910	4.1
202.08592	3.3
204.06615	1.1
207.08800	0.9
208.09682	1.9
209.04564	5.6
215.09163	1.7
216.06662	1.1
216.08429	1.1
216.10278	16.2
217.10489	1.1
218.08200	3.9
220.06084	1.0
222.11293	1.3
223.05917	0.8
234.07561	2.9
234.11200	2.3
244.09380	1.0
248.08983	0.9
248.12852	15.3
250.10783	1.0
252.08710	3.4
260.09100	1.0
266.10294	6.3
274.83542	0.8
278.10263	0.9
292.11865	39.2
293.11966	2.0
294.09827	3.6
295.08023	2.9
308.11264	1.4
310.12738	5.0
326.12387	4.7
328.14221	1.0
352.13986	8.3
354.11664	1.5
370.11877	1.6
388.13919	1.7
403.41504	0.8
403.95779	0.8
414.15076	0.9
446.17743	2.7
474.13754	1.3
488.19168	7.1
506.16571	35.6
507.16400	2.4
518.15894	0.9
532.17688	3.2
533.10400	0.8
549.21490	0.8
550.18732	33.5
551.19379	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	550.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52171	0.3
55.01865	0.3
56.97414	0.3
59.01376	1.5
60.01721	0.3
61.98824	100.0
63.84949	0.2
71.01377	2.9
71.06648	0.5
72.01705	0.6
73.02946	0.7
83.01389	0.3
85.02946	0.9
89.02447	0.7
91.29250	0.2
99.00880	0.4
101.02426	2.1
102.02772	0.6
107.70068	0.2
113.02460	0.7
114.02785	0.3
149.04529	0.5
150.04939	0.2
161.04572	0.6
163.46541	0.2
186.96301	0.2
206.18440	0.2
357.22824	1.9
358.23154	3.2
489.27112	0.8
490.27283	5.1
490.34439	0.3
491.27533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.7
61.98823	100.0
71.01384	0.9
71.61431	0.2
73.02942	0.2
78.95882	0.4
83.01379	0.2
85.02956	0.4
87.33241	0.2
89.02423	0.4
96.96014	1.0
101.02473	0.3
113.02451	0.5
133.02969	1.0
135.04532	0.8
161.02480	1.4
179.03531	0.7
183.10269	0.4
227.06589	0.3
273.42606	0.3
311.09653	0.7
311.59656	0.2
458.28760	0.3
529.05432	0.2
549.36969	0.4
550.36884	0.6
551.26355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	1.4
59.01377	26.4
61.98830	8.8
67.04552	0.9
70.16104	4.0
78.95898	20.1
96.95998	1.4
96.96940	1.4
110.20004	0.8
152.99571	3.3
156.63943	0.8
168.04294	3.6
191.95354	0.8
201.07053	0.8
221.50990	0.8
224.06915	7.2
242.07980	2.0
251.20140	100.0
252.20511	5.6
309.10089	1.2
359.99161	1.1
373.08386	0.9
476.27795	71.9
477.28177	5.9
551.25226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54636	0.2
52.78461	0.2
57.51407	0.2
59.01369	19.4
61.98821	9.7
70.02530	0.5
70.02919	0.7
71.01388	0.2
78.95900	5.2
80.96515	0.8
84.71635	0.2
139.64366	0.2
141.01682	0.4
142.78036	0.2
152.99597	1.5
167.68538	0.2
168.04277	1.3
189.45844	0.2
224.06909	0.7
233.19017	0.4
242.07968	2.3
249.49545	0.2
251.20117	100.0
252.20456	5.0
260.53986	0.4
334.76218	0.2
435.83536	0.2
465.23630	0.4
476.27750	35.7
477.28183	2.3
488.34329	0.3
550.23871	0.9
550.36865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.98822	100.0
71.62446	0.4
76.16901	0.3
94.72735	0.3
96.52176	0.3
126.67028	0.3
146.16396	0.3
160.27664	0.3
169.35982	0.4
375.05069	0.3
464.20563	0.4
469.33423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78345	0.3
57.75097	0.4
59.01360	0.5
61.98823	100.0
62.62258	0.3
63.94139	0.3
70.03075	1.2
74.62474	0.4
84.27704	0.4
157.22256	0.4
240.49655	0.3
257.38467	0.5
277.06076	0.4
287.91769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49047	0.4
59.01368	3.2
61.98825	100.0
69.69119	0.5
71.62265	0.6
104.78316	0.5
108.96206	0.5
112.43898	0.4
189.71608	0.6
227.54024	0.6
270.96539	0.5
436.74060	0.5
453.10370	0.5
469.32980	3.3
490.36514	0.6
551.33838	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	550.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.6
60.01721	0.5
61.98823	100.0
67.05225	0.4
98.19834	1.0
101.93442	0.4
157.52057	0.5
173.35892	0.5
298.70511	0.4
414.71082	0.5
439.54333	0.4
490.35925	2.9
550.97858	0.5
551.30743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	4.3
59.01374	3.7
61.98852	1.4
63.26241	0.7
69.03489	3.1
71.01424	2.1
71.61055	0.9
72.00944	3.0
72.04573	0.7
72.75371	0.7
74.00690	8.9
74.02469	7.7
82.02972	10.3
83.01385	3.5
83.05020	0.9
84.00950	2.3
84.04623	0.7
85.02983	0.7
85.04128	0.9
86.02536	3.1
87.00909	0.7
87.05684	2.2
88.98853	2.1
89.02461	1.6
94.03017	0.7
95.05067	0.9
96.00983	0.6
96.04548	8.1
97.04067	5.9
98.02473	5.9
98.06143	1.1
99.05634	9.2
100.00401	4.0
100.04027	3.4
101.02432	16.6
101.07254	1.6
104.03529	24.8
108.04543	8.7
109.04142	1.4
110.02534	2.4
110.06065	3.6
111.05693	3.1
112.04037	8.9
112.07645	3.6
113.02479	1.3
113.03596	2.4
115.05183	2.0
118.06882	0.6
121.03027	0.7
121.05766	0.7
121.06590	1.5
122.06171	3.0
123.05617	0.8
124.04039	7.8
124.04837	0.8
125.03570	0.9
125.04849	1.8
126.05593	15.3
127.05125	5.4
129.06694	18.3
130.01462	3.7
130.07127	0.7
135.04564	1.7
136.00722	4.3
136.04912	0.8
137.07257	1.9
138.05673	1.5
140.03548	1.4
140.07152	5.2
140.59282	0.7
142.03331	1.3
143.04660	2.1
146.02841	0.9
147.22928	0.6
150.04469	0.9
151.05193	2.4
152.03572	3.6
152.07167	1.4
153.06688	0.9
154.05144	1.9
154.66632	0.7
155.08247	9.0
158.02829	1.9
161.03885	1.3
163.05391	0.7
165.06683	8.4
167.08267	1.6
169.06195	2.5
170.04532	3.6
178.68173	0.7
179.03525	3.2
180.03809	1.5
181.06194	2.8
183.07739	11.6
185.09262	2.4
195.07744	7.3
204.03273	6.2
207.04530	1.0
211.07245	1.6
213.08754	6.9
215.06721	1.5
224.91444	0.7
227.06697	17.9
229.90332	0.6
239.06706	2.7
245.05914	4.6
245.08073	0.7
257.07758	31.9
258.08051	0.8
259.03799	3.4
261.05505	6.7
289.04971	34.5
290.05322	0.8
291.06522	100.0
292.06805	3.6
323.03699	1.6
488.14108	0.8
507.16608	1.6
551.10822	29.4
552.11096	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	551.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85192	0.6
57.47081	0.7
59.01371	10.2
69.03448	20.6
71.01374	3.7
72.57513	0.5
85.02956	0.8
89.02428	2.6
95.05014	4.7
101.02431	2.0
105.03451	0.7
106.04269	0.9
113.02437	3.3
117.03416	0.8
119.03535	1.3
121.02949	2.5
121.06590	5.8
123.04503	1.5
132.02145	1.5
133.02942	30.3
134.03699	0.9
135.04514	12.7
139.00351	2.2
149.06088	1.1
149.48846	0.6
161.02431	100.0
162.02791	3.6
165.05562	3.3
177.05559	3.1
179.03482	12.9
183.06569	0.9
203.03458	0.6
209.04587	1.2
211.16626	0.6
216.46341	0.7
221.04465	3.4
251.05548	3.6
258.37772	0.6
281.06564	3.7
322.57877	0.7
323.07626	2.8
341.08627	5.1
345.11868	2.5
389.10782	6.0
393.11777	1.8
507.14999	15.4
508.15826	0.6
533.12860	1.3
551.13971	26.5
552.14380	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47439	2.1
54.62857	2.5
57.03434	2.5
58.00557	3.3
59.01373	100.0
61.98797	8.7
63.21991	2.2
67.01888	2.9
68.99815	15.3
69.03458	27.2
71.00993	4.6
71.01373	70.7
71.62149	3.5
72.99307	4.9
73.02921	5.7
75.00842	9.4
83.01356	4.5
85.02921	18.4
87.00858	15.7
88.98775	6.9
89.02434	99.8
92.24131	2.5
93.03394	3.0
94.05704	2.1
95.01341	6.5
95.04986	9.7
96.95971	9.9
99.00859	5.8
101.02431	64.3
105.01900	2.6
111.00870	5.6
113.02428	41.4
119.02738	3.1
119.03489	38.0
121.02941	16.0
121.06538	10.2
123.04491	5.8
127.03975	5.0
129.01897	2.7
131.03439	8.4
134.03725	12.3
135.04512	24.4
137.02429	4.5
139.00294	9.2
139.03900	2.5
143.03442	12.6
147.02937	7.2
147.04414	4.1
149.02397	5.5
149.04538	4.9
149.05963	3.7
150.03137	10.7
153.05534	6.3
161.02405	2.5
161.04558	17.8
163.03912	2.6
165.03966	12.3
165.05487	19.1
170.15965	2.3
176.04749	2.5
178.02649	9.1
179.03455	9.3
179.05527	46.8
179.07077	3.5
183.06561	4.7
191.05492	4.8
193.05020	27.9
195.06474	10.3
209.04396	7.4
211.03920	7.0
223.06087	44.1
228.04099	6.5
229.04837	3.5
239.03415	15.0
243.06500	6.3
256.03705	14.2
257.04532	21.6
271.03421	3.8
271.06085	47.7
272.06812	22.9
286.08432	41.1
287.09216	87.3
333.08032	3.9
341.10248	5.9
345.13342	4.5
371.09952	2.8
389.12286	55.4
403.12424	30.1
404.12772	3.4
449.08368	3.1
449.14493	39.7
450.14685	3.6
507.17230	5.7
551.16010	98.3
552.16052	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	551.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54485	1.4
58.00581	3.9
59.01374	95.5
61.98814	4.9
62.85121	1.6
68.99808	13.6
69.03453	25.1
71.01373	62.5
72.43401	1.5
72.99285	5.1
73.02926	2.2
75.00866	16.2
78.53493	1.5
83.01363	1.7
85.02931	14.0
87.00857	9.2
88.98802	2.2
89.02435	92.1
93.03440	3.8
94.68112	1.7
95.01365	8.0
95.05045	8.0
96.95988	4.4
98.19800	2.3
99.00877	7.7
101.02431	51.8
102.02752	1.9
105.01914	5.3
111.00858	3.1
113.02431	23.9
119.03488	37.1
119.04970	3.2
121.02940	19.0
121.06570	5.3
123.04484	7.4
123.21867	1.8
125.02460	2.5
127.03982	6.1
131.03493	4.3
134.03748	8.5
135.04482	3.0
137.02452	2.1
137.05989	2.1
139.00314	5.8
143.03484	10.0
147.02965	4.4
147.04480	3.5
149.02365	4.3
149.04552	2.8
149.06046	3.9
150.03191	9.4
153.05487	4.0
156.80296	1.5
161.04530	10.1
165.01820	2.0
165.04100	3.7
165.05528	13.7
173.04471	2.4
175.03957	2.0
178.02699	4.1
179.05594	33.9
179.07092	1.9
181.05032	3.8
183.06651	2.1
191.05580	4.1
193.05066	18.6
195.06570	7.3
197.08110	5.5
223.06075	40.8
229.31165	2.1
235.06082	1.8
258.84619	1.7
268.18686	1.7
279.58914	1.7
333.08374	1.7
341.10608	10.3
357.97562	1.6
359.13531	2.5
371.09851	3.3
389.12213	7.6
403.12375	23.3
507.17139	1.9
533.13989	2.1
551.16022	100.0
552.16345	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	551.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47439	2.1
54.62857	2.5
57.03434	2.5
58.00557	3.3
59.01373	100.0
61.98797	8.7
63.21991	2.2
67.01888	2.9
68.99815	15.3
69.03458	27.2
71.00993	4.6
71.01373	70.7
71.62149	3.5
72.99307	4.9
73.02921	5.7
75.00842	9.4
83.01356	4.5
85.02921	18.4
87.00858	15.7
88.98775	6.9
89.02434	99.8
92.24131	2.5
93.03394	3.0
94.05704	2.1
95.01341	6.5
95.04986	9.7
96.95971	9.9
99.00859	5.8
101.02431	64.3
105.01900	2.6
111.00870	5.6
113.02428	41.4
119.02738	3.1
119.03489	38.0
121.02941	16.0
121.06538	10.2
123.04491	5.8
127.03975	5.0
129.01897	2.7
131.03439	8.4
134.03725	12.3
135.04512	24.4
137.02429	4.5
139.00294	9.2
139.03900	2.5
143.03442	12.6
147.02937	7.2
147.04414	4.1
149.02397	5.5
149.04538	4.9
149.05963	3.7
150.03137	10.7
153.05534	6.3
161.02405	2.5
161.04558	17.8
163.03912	2.6
165.03966	12.3
165.05487	19.1
170.15965	2.3
176.04749	2.5
178.02649	9.1
179.03455	9.3
179.05527	46.8
179.07077	3.5
183.06561	4.7
191.05492	4.8
193.05020	27.9
195.06474	10.3
209.04396	7.4
211.03920	7.0
223.06087	44.1
228.04099	6.5
229.04837	3.5
239.03415	15.0
243.06500	6.3
256.03705	14.2
257.04532	21.6
271.03421	3.8
271.06085	47.7
272.06812	22.9
286.08432	41.1
287.09216	87.3
333.08032	3.9
341.10248	5.9
345.13342	4.5
371.09952	2.8
389.12286	55.4
403.12424	30.1
404.12772	3.4
449.08368	3.1
449.14493	39.7
450.14685	3.6
507.17230	5.7
551.16010	98.3
552.16052	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	551.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25894	0.4
59.01368	0.8
60.99306	13.1
61.98819	0.6
62.86099	0.4
70.62064	1.2
71.01371	1.3
79.49213	0.4
85.02946	0.7
88.98801	100.0
89.02448	0.9
89.99115	0.5
90.52402	0.3
113.02435	2.0
133.67986	0.4
151.04042	0.4
193.05080	0.4
220.02750	0.4
331.50064	0.4
461.16336	2.1
551.17029	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	551.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.8
59.01371	24.5
61.98528	1.7
61.98822	22.6
66.30424	1.5
69.03423	2.5
71.01376	19.7
71.39086	2.8
73.02924	2.3
76.50158	1.4
83.01385	2.3
85.02939	9.3
88.52876	1.3
89.02431	11.1
89.03915	1.8
95.01344	1.8
96.96008	24.2
99.00846	3.3
101.02422	11.2
107.08665	13.2
109.02937	27.7
111.04475	2.7
113.02440	7.4
117.03436	8.3
117.15466	1.5
119.03471	3.6
119.04980	4.4
119.08627	1.7
121.02872	1.4
123.04491	1.9
124.01660	1.8
125.02375	2.5
125.09736	2.6
127.46964	1.5
131.84915	1.3
132.02161	14.4
133.02937	8.9
134.03728	97.7
135.04442	6.1
136.01582	1.7
137.02376	3.3
140.97757	1.5
145.02907	2.4
147.04457	4.5
148.05234	1.9
149.06036	12.4
151.07600	12.2
153.00670	2.5
153.01915	50.2
153.05473	1.4
160.01634	67.4
161.02434	27.0
161.04514	2.5
163.03976	5.4
165.05644	1.6
173.04556	3.6
174.03258	1.6
175.03981	100.0
176.04750	14.1
177.01910	8.2
177.05460	2.0
178.02592	3.8
179.03471	3.6
183.10161	1.4
191.05580	1.7
191.07098	20.9
193.05026	89.2
194.05342	2.6
195.06578	18.2
207.06532	6.3
220.03667	3.4
235.06090	43.3
265.07108	17.0
295.08194	20.8
315.15982	2.8
331.13904	16.8
333.16885	9.1
337.09091	2.0
355.10287	10.0
375.12924	26.2
376.13211	2.1
377.16083	3.0
463.19629	23.3
464.19434	2.5
507.18707	53.0
508.18811	4.3
551.17511	66.3
552.17847	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	551.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.9
61.98810	1.6
69.03449	16.3
69.24803	1.3
71.01371	14.5
72.99281	1.9
73.02925	2.6
82.04833	1.2
83.01388	2.0
85.02930	6.1
88.98804	1.5
89.02428	7.2
89.03952	1.4
95.04995	3.4
99.00860	1.8
101.02433	9.7
107.08598	2.0
113.02429	8.7
117.03473	8.3
119.03488	3.2
121.02913	3.7
121.06566	3.8
123.04478	3.0
125.09666	2.9
132.02145	11.2
133.02031	2.2
133.02950	31.3
134.03732	81.1
135.04559	11.5
137.02396	3.1
139.00307	2.7
142.30968	1.3
146.85867	1.2
147.04515	1.9
148.05313	1.5
149.06068	9.0
151.07610	4.3
160.01646	49.4
161.02432	100.0
162.02792	4.1
165.05544	1.8
175.03979	78.0
176.04710	6.6
177.01959	1.3
177.05518	3.7
178.02628	2.8
179.03497	14.6
191.07120	8.6
193.05029	67.1
194.05380	2.0
195.06609	2.8
207.06563	3.8
220.03664	1.4
221.04413	6.0
221.27562	1.3
224.88039	1.3
235.06070	16.0
244.61743	1.4
251.05576	2.8
265.07040	3.6
281.06628	5.9
295.08066	6.2
323.07632	3.6
331.13895	13.7
341.08691	6.2
345.11661	2.5
355.10233	1.4
370.02621	1.3
375.12939	14.4
389.10852	7.9
393.11389	1.6
429.13956	1.3
463.13812	2.4
463.19675	21.1
486.67529	1.5
507.19360	38.7
508.19058	2.6
533.13025	2.6
551.16052	21.1
552.16833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48960	0.6
59.01369	1.6
69.76148	2.4
69.76557	1.6
69.81573	0.7
71.01385	3.2
73.38903	0.7
83.18787	0.8
85.02946	1.7
87.00854	0.9
89.02448	2.0
93.03474	2.1
101.02464	2.0
111.95094	0.8
113.02430	1.6
117.03487	1.3
119.05013	3.9
121.02928	4.4
122.03719	6.1
132.02165	12.8
133.02989	3.5
134.03728	20.6
135.04506	1.8
136.01651	1.5
137.02426	2.2
137.06075	3.1
145.02911	1.7
147.04538	1.8
149.02412	1.9
149.06047	5.0
150.03207	51.8
151.03674	1.5
153.05510	1.0
160.01639	65.1
161.02061	2.3
161.06017	0.8
162.03163	0.9
163.04034	4.7
165.05551	84.5
166.05910	2.4
174.03151	1.2
175.03981	82.1
175.34367	0.8
176.04604	3.3
177.05586	1.1
178.02748	1.3
179.03445	0.9
180.04190	3.5
188.04826	1.0
188.75063	0.8
189.05588	2.8
190.06348	9.4
191.07117	6.1
192.04164	1.9
193.05031	22.6
194.05772	1.6
205.05011	1.3
205.08641	7.2
206.05807	1.5
207.06473	1.7
208.07419	7.4
213.07692	2.4
217.04915	1.9
221.08199	1.1
222.08952	1.1
223.06087	1.8
235.06030	1.0
265.07135	3.4
297.11230	1.6
337.09244	100.0
338.09564	4.9
344.12454	1.4
359.14957	47.8
360.15155	2.3
389.16025	2.7
395.89066	0.8
536.65704	0.8
551.17615	42.2
552.17987	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	551.1764
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
59.01371	15.7
61.98820	24.7
69.03448	2.2
71.01376	12.9
71.62066	1.7
72.99298	2.1
73.02945	2.9
74.50622	1.0
75.00868	2.9
84.01543	1.0
85.02928	4.0
87.00848	4.1
89.02418	10.5
93.03449	2.3
95.01392	1.3
96.96037	2.8
99.00842	1.2
99.81895	0.9
101.02409	10.3
102.05608	6.5
108.02119	1.3
108.11997	1.0
111.00866	2.1
113.02425	9.0
117.03439	2.1
119.03485	3.8
119.05010	4.3
120.99615	1.5
121.02958	10.3
122.03742	6.9
123.00867	1.2
123.04514	4.6
132.02194	2.2
133.02945	9.4
134.03732	47.5
135.04550	7.3
136.01631	4.1
137.02435	10.1
137.06094	2.4
139.03987	2.1
139.77882	1.0
145.02911	7.2
147.04501	8.3
148.05275	2.0
149.02435	18.0
149.06046	16.7
150.03204	56.7
151.04007	7.5
153.05545	2.8
153.09213	1.3
157.74043	1.0
160.01648	10.6
161.02397	9.6
161.04471	5.4
162.03163	1.4
163.03998	2.9
164.04761	4.2
165.01875	3.9
165.05548	61.9
166.05914	2.0
167.03465	1.5
174.03162	1.4
175.03961	17.1
176.04778	12.9
177.01930	3.1
177.05469	2.4
178.02682	27.8
179.03447	4.0
179.05524	2.1
180.04314	6.5
181.05032	4.5
191.05550	1.7
191.07086	12.7
192.04256	8.7
193.05034	100.0
194.05414	1.8
195.04771	2.5
195.06599	45.4
196.06955	1.7
197.08287	1.2
202.02690	1.6
206.05701	1.5
207.06459	1.3
209.04515	4.3
216.10173	1.0
217.04825	2.4
220.03764	2.6
221.04443	1.7
221.08157	2.5
235.06076	28.9
235.08272	2.2
250.06270	1.6
265.06995	9.9
267.06519	1.8
281.07993	1.3
282.08868	6.8
295.08203	3.8
297.11160	3.7
307.08347	4.3
323.07590	1.2
341.10287	22.2
342.10291	1.7
353.10385	1.8
359.15283	1.2
371.11243	5.0
383.11328	7.0
388.23343	2.3
389.12344	50.1
390.12634	2.6
431.13419	15.2
489.13916	4.9
491.15936	1.4
511.71976	1.1
551.18158	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	551.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29449	0.8
59.01088	1.0
59.01373	15.4
67.01868	1.0
68.99802	1.2
69.03448	42.1
69.28139	2.3
69.28555	4.0
71.01379	7.8
73.02908	0.9
76.92419	0.9
81.03442	2.1
85.02925	1.7
87.00891	3.7
89.02448	3.4
89.62424	0.6
93.03460	1.7
95.04988	2.6
98.19830	1.4
99.00848	0.8
99.04512	5.4
101.02438	4.9
107.05016	26.3
113.02444	15.2
115.00335	2.0
117.03442	2.4
119.03435	0.8
121.02934	1.3
125.06068	7.5
127.03963	1.2
132.02147	9.3
133.02960	6.2
133.06564	1.9
134.03729	32.2
135.04541	5.3
135.26024	0.7
136.01625	0.9
137.02383	1.9
146.03722	2.8
147.04506	3.5
148.05238	2.4
149.06059	5.9
151.03989	1.1
151.07640	10.2
158.03719	1.8
160.01637	48.5
161.02449	12.2
161.06133	1.0
162.02829	1.0
164.04741	2.5
169.08699	8.6
173.06036	1.7
175.03978	68.4
176.04733	12.8
177.01945	3.3
177.05440	2.0
178.02740	4.9
179.03477	2.1
179.05672	1.1
179.07089	3.7
191.05418	1.5
191.07104	17.3
192.04221	1.5
193.05031	38.6
194.05388	1.7
195.06538	3.6
196.06943	1.2
207.06616	6.8
213.07661	27.4
214.08046	1.3
217.05042	0.7
220.03670	3.1
223.77948	0.7
227.09203	1.2
235.06085	29.0
265.06964	3.8
292.40985	0.8
295.08020	4.8
323.07538	1.1
337.09314	2.9
357.11899	4.4
375.12836	2.7
423.13052	1.2
437.14264	1.0
507.19067	3.8
551.17621	100.0
552.17883	9.1
565.54492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	8.7
61.98813	8.4
69.53883	10.8
69.54285	4.7
71.01368	9.3
72.87424	2.2
85.02929	4.3
89.02434	4.4
93.03457	3.5
96.95993	7.6
98.20615	3.1
98.95522	2.3
101.02425	8.0
109.02958	2.3
111.00826	2.4
113.02440	5.0
117.03426	6.8
119.04976	6.0
121.02976	10.5
122.03758	10.4
124.93546	2.0
132.02133	3.6
133.02922	8.7
134.03728	44.7
135.04501	4.5
137.02417	7.3
145.02968	20.9
145.25188	2.0
147.04514	8.2
148.05290	5.5
149.02400	17.6
149.06110	11.8
149.62802	2.1
150.03215	68.9
151.03947	3.9
160.01640	25.6
161.02390	5.2
163.04033	4.9
164.04765	3.5
165.01918	5.5
165.05553	85.8
173.04495	3.0
175.03984	29.8
176.04767	20.6
177.01897	4.8
178.02670	19.5
180.04352	9.7
190.06413	2.3
191.05513	4.8
191.07071	24.7
193.05042	100.0
194.05284	2.4
195.06590	63.5
196.06912	2.7
214.60854	2.1
220.03798	4.2
220.07397	4.5
233.06046	2.4
235.06061	49.9
235.09746	3.2
265.07031	12.0
279.26563	2.1
282.08792	3.6
295.08249	7.4
307.08221	14.2
311.09201	4.1
337.09131	2.2
341.10284	30.8
341.50592	2.3
371.14706	7.0
383.11252	12.5
389.12280	39.9
389.16986	3.0
397.11197	3.8
431.13397	21.2
450.80798	2.0
491.15500	3.8
551.17310	13.0
575.94818	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	551.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41387	0.7
57.03454	1.6
57.20317	0.7
58.49465	0.8
59.01371	10.6
60.99284	1.2
61.98809	2.4
69.03449	7.3
70.61550	1.5
71.01382	9.3
73.02936	1.1
75.00855	1.4
83.01376	0.7
85.02943	4.4
87.00878	1.8
88.98802	5.6
89.02436	7.8
93.03433	0.9
95.01361	1.2
95.05006	1.4
96.95995	2.3
101.02431	16.1
109.02887	1.1
113.02439	10.3
119.03517	4.1
121.02940	3.3
121.06577	2.8
122.03767	0.8
134.03720	5.0
135.04512	23.4
137.02386	2.0
139.00362	1.6
139.07689	0.8
143.03491	0.9
147.04489	0.9
148.64178	0.7
149.02386	0.7
149.06082	1.4
150.03203	2.9
151.04022	1.1
161.02448	1.9
161.04532	2.9
161.05908	1.1
163.04094	0.9
165.04156	0.9
165.05495	4.2
178.02667	1.7
179.03497	7.3
179.05551	3.5
180.04169	0.8
191.05600	1.1
193.05049	7.7
194.05681	0.8
195.06616	3.4
199.03931	1.6
200.04774	2.0
209.04527	2.4
209.08081	1.2
211.03954	9.4
213.05548	1.6
223.06096	1.8
227.03490	3.3
228.04253	8.7
229.04991	5.3
239.03442	15.0
240.04176	2.3
243.06602	2.7
256.03745	11.4
257.04514	20.1
258.04953	0.9
271.06085	54.3
272.06824	26.4
273.07245	1.5
280.77499	0.7
284.07312	0.9
286.08435	41.1
287.09216	100.0
288.09692	4.1
315.12360	1.2
341.10458	1.8
345.13342	6.1
389.12357	51.3
390.12781	3.2
401.14890	0.7
403.12195	1.9
449.14450	38.3
450.14960	2.6
492.88248	0.8
507.16846	1.9
551.16260	14.9
555.18164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	3.9
58.02964	5.2
59.01368	100.0
69.52879	30.0
71.01369	50.5
72.00923	5.1
73.02926	6.5
74.00690	8.0
74.02467	7.9
75.00869	6.3
78.95905	21.5
82.02975	9.6
83.01370	6.9
85.02935	21.4
85.11433	4.0
85.82242	3.8
86.02467	6.5
87.00860	17.3
89.02431	58.2
96.04533	6.3
97.04062	6.1
99.05627	7.3
100.00397	4.2
101.02430	97.3
104.03528	16.1
108.04553	8.7
110.89922	6.5
110.98508	23.1
112.04018	8.0
113.02426	13.0
119.03481	98.5
121.02940	6.5
124.04057	5.5
126.05547	15.1
127.05075	5.2
129.01894	13.0
129.06694	14.9
131.03444	9.4
133.01373	6.0
136.00717	5.3
140.07147	4.6
144.39253	4.0
149.04515	8.0
155.08237	8.4
165.01868	9.2
165.06644	6.8
170.04579	5.2
179.05533	23.1
183.07709	14.8
184.46281	3.8
191.01930	4.7
191.05554	8.9
195.07668	5.5
209.02960	4.9
209.04839	8.3
209.06633	86.9
212.50229	4.2
213.08775	5.4
227.06577	21.2
230.08400	5.0
245.05902	5.3
257.07755	33.5
261.05374	6.4
289.04980	38.8
291.06531	85.4
341.10873	55.7
377.84726	4.9
435.54330	4.7
551.10803	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01372	7.1
61.98819	1.0
64.94171	0.3
69.47581	0.7
69.47990	1.9
71.01391	2.1
73.02942	3.9
83.01381	4.5
85.02942	0.8
87.04509	1.0
93.03436	1.0
96.96011	0.7
97.02947	0.5
101.02433	2.2
105.01912	0.4
113.02393	0.7
117.03480	0.9
119.05014	100.0
120.05346	2.3
123.04530	0.6
125.02445	0.4
125.06069	0.5
128.89502	0.3
135.04462	0.6
137.06073	0.4
138.44244	0.3
139.03938	0.4
139.07687	0.4
139.11278	4.7
145.02925	2.4
153.09216	0.7
161.02438	0.4
161.06114	0.4
163.03989	54.9
163.11223	0.5
164.04343	1.8
165.09160	0.9
169.12279	1.9
179.03488	0.5
179.10736	0.8
181.12317	2.1
183.10243	7.8
192.87816	0.3
197.11813	0.9
207.10316	0.4
215.09212	0.6
225.11298	7.3
226.11696	0.4
239.12813	0.4
243.12338	8.4
249.11235	0.7
267.12238	0.8
285.13361	1.5
291.12372	1.5
304.93433	0.4
309.13470	0.7
327.14459	2.4
369.15372	0.4
387.16559	7.1
388.17001	0.4
405.17575	1.1
430.39871	0.4
491.20047	0.4
533.20190	0.9
551.21234	35.6
552.21600	4.2
558.15015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24511	0.3
53.48935	0.2
59.01382	2.1
62.26135	0.3
62.79017	0.2
68.89017	0.3
69.18571	0.3
69.23920	2.5
71.01370	1.8
71.05008	0.3
72.99317	0.3
73.02943	0.4
75.00850	0.8
78.54826	0.3
81.03454	0.4
85.02946	0.4
89.02430	0.7
93.03446	5.2
101.02419	1.1
109.02900	0.5
113.02448	0.9
118.53728	0.3
119.05036	0.3
121.02955	3.6
121.06553	0.8
122.03759	0.4
123.04529	0.6
132.02144	0.3
133.02945	0.4
134.03731	1.5
135.04478	1.3
136.05316	0.7
137.02426	11.4
139.00362	1.0
143.03490	0.5
145.02928	1.8
146.03696	0.6
147.04539	1.7
149.02432	0.6
150.03215	1.3
151.03984	0.6
152.04767	0.4
153.01848	0.3
158.03697	0.3
160.01660	1.0
161.02397	1.0
161.04556	1.9
161.05876	0.4
162.03168	0.6
163.03978	4.4
164.04738	0.8
165.01906	1.2
165.05524	1.4
167.03419	0.7
173.02406	0.6
173.06004	0.7
174.03214	2.4
175.03973	14.6
176.04773	2.6
177.05562	1.5
178.02658	0.6
179.03461	1.2
179.07098	0.9
180.04256	7.5
181.04944	0.8
188.04735	2.3
189.05534	6.6
190.06326	18.7
191.07100	12.9
192.04242	0.6
192.07466	0.4
193.05023	8.9
194.05798	5.3
195.06551	0.9
203.07106	1.6
204.07632	0.4
205.08662	16.8
206.05826	0.4
206.08978	0.4
207.06575	4.5
208.07376	16.3
209.04527	0.9
209.07758	0.7
222.08922	2.1
223.06042	0.4
223.09656	1.4
299.09119	0.4
327.12341	0.6
337.09088	0.5
344.12686	2.9
351.62180	0.3
359.14941	100.0
360.15271	7.1
389.15958	3.7
390.16257	0.5
503.15646	0.6
515.17590	0.8
551.17590	3.3
552.18158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01372	7.1
61.98819	1.0
64.94171	0.3
69.47581	0.7
69.47990	1.9
71.01391	2.1
73.02942	3.9
83.01381	4.5
85.02942	0.8
87.04509	1.0
93.03436	1.0
96.96011	0.7
97.02947	0.5
101.02433	2.2
105.01912	0.4
113.02393	0.7
117.03480	0.9
119.05014	100.0
120.05346	2.3
123.04530	0.6
125.02445	0.4
125.06069	0.5
128.89502	0.3
135.04462	0.6
137.06073	0.4
138.44244	0.3
139.03938	0.4
139.07687	0.4
139.11278	4.7
145.02925	2.4
153.09216	0.7
161.02438	0.4
161.06114	0.4
163.03989	54.9
163.11223	0.5
164.04343	1.8
165.09160	0.9
169.12279	1.9
179.03488	0.5
179.10736	0.8
181.12317	2.1
183.10243	7.8
192.87816	0.3
197.11813	0.9
207.10316	0.4
215.09212	0.6
225.11298	7.3
226.11696	0.4
239.12813	0.4
243.12338	8.4
249.11235	0.7
267.12238	0.8
285.13361	1.5
291.12372	1.5
304.93433	0.4
309.13470	0.7
327.14459	2.4
369.15372	0.4
387.16559	7.1
388.17001	0.4
405.17575	1.1
430.39871	0.4
491.20047	0.4
533.20190	0.9
551.21234	35.6
552.21600	4.2
558.15015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.249
Annotation	Tricalysioside G
Peak:m/z	Relative Intensity
57.03427	2.7
58.00573	0.7
59.01371	57.3
60.01690	0.7
64.27252	0.5
71.00986	0.8
71.01370	14.2
72.99289	1.2
80.02649	1.3
83.01390	0.6
83.05018	0.9
85.02933	2.9
87.00863	1.0
89.02432	16.6
93.32600	0.5
95.01373	1.0
95.04988	0.9
95.18542	0.5
97.06573	0.6
99.04529	3.7
101.02432	8.6
107.05019	0.7
107.08631	0.6
109.06603	0.7
113.02429	6.1
119.03520	7.0
119.05012	12.7
121.06568	2.1
133.02922	0.5
135.04489	0.7
137.06073	1.3
143.03467	1.1
149.04530	0.6
161.02425	1.3
161.04602	0.7
161.09598	0.5
161.13322	0.6
165.12859	2.9
177.25299	0.5
179.05669	0.7
189.12793	4.8
191.10847	2.5
207.13857	14.0
208.14326	0.5
209.11801	7.8
233.11765	2.0
251.12874	3.6
269.13864	0.9
299.11285	5.7
525.18353	0.5
533.23529	4.3
551.24860	100.0
552.25159	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	551.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32336	0.6
54.88221	0.5
55.01859	0.5
56.34684	0.5
59.01372	16.3
60.01699	1.2
61.01818	0.7
61.98822	100.0
64.65222	0.6
69.32527	5.3
69.32879	0.8
71.01373	12.9
72.01714	1.6
72.99313	0.5
73.02940	4.6
74.00771	0.6
83.01397	1.9
85.02940	4.6
86.03289	0.9
89.02417	3.4
93.03506	0.8
95.01379	1.1
96.96082	0.7
98.19896	1.3
99.00868	1.7
101.02425	8.6
102.02763	1.6
103.02853	1.0
113.02419	5.1
119.03506	0.9
123.04575	0.7
124.35214	0.5
133.02902	4.3
135.04492	4.4
136.91995	0.6
137.02397	1.0
138.24582	0.6
143.03467	0.6
159.03009	0.9
161.02409	9.3
161.04543	2.0
162.04863	0.7
163.04991	0.7
172.78510	0.6
179.03497	2.4
181.08652	0.8
276.77106	0.6
307.82263	0.6
311.09555	2.1
311.59778	1.3
329.13507	0.6
357.22717	5.3
358.23138	7.1
359.23349	11.9
360.23856	0.8
489.26846	0.6
490.27420	1.6
491.27524	11.0
513.26904	0.6
515.28528	7.0
515.35803	0.8
521.22449	0.7
530.22632	4.4
530.72955	1.6
551.26062	14.8
552.26569	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	31.7
59.47499	13.4
61.98815	78.1
63.45462	11.9
70.02226	55.6
78.95859	15.6
96.95999	100.0
115.47138	14.3
122.09503	12.9
152.99586	15.7
169.68021	12.1
169.71581	12.1
203.60332	12.4
320.13556	13.8
336.49374	12.3
371.45236	15.2
444.80777	14.2
461.35913	17.0
486.15353	15.6
551.30646	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	551.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06687	1.9
59.01389	3.0
59.59552	1.8
61.98805	9.4
69.48396	12.7
78.08311	2.3
78.95456	3.7
78.95893	49.1
96.96945	6.8
98.19895	4.4
133.50072	2.2
152.99564	90.9
158.37157	2.2
171.00583	3.9
197.02199	14.1
255.23207	2.3
271.05807	12.5
273.05106	1.8
277.21686	30.5
278.21964	2.4
279.23260	100.0
280.23636	4.8
289.06757	2.6
431.21231	2.1
460.93219	2.2
469.33429	11.9
551.29517	74.1
552.29950	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.5
61.98824	13.2
69.81846	0.7
71.16573	1.0
71.16911	1.4
78.95908	1.8
94.11743	0.8
96.96004	11.6
103.27811	0.8
152.99579	2.1
185.62785	0.7
316.28751	0.9
316.57373	0.8
369.29776	0.8
393.27899	2.4
407.29407	3.4
409.31073	3.5
423.32617	74.9
424.33023	7.0
425.34305	4.3
469.33151	100.0
470.33423	8.1
551.33484	71.8
552.33472	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	551.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69360	0.5
59.01342	0.5
60.44822	0.5
61.98840	0.6
71.61748	0.7
72.02204	0.5
89.93135	0.6
103.41644	0.5
168.94762	0.6
202.81430	0.6
265.45850	0.6
270.33774	0.6
286.56946	0.6
421.30618	0.7
469.33139	100.0
470.33463	10.4
551.33459	65.4
552.33948	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	551.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62662	0.3
59.01375	14.4
61.98801	0.3
62.93905	0.2
65.19491	0.3
69.40322	2.3
69.54668	0.2
71.01371	2.4
73.02937	1.1
74.25430	0.3
78.95898	4.5
83.01376	0.3
85.02930	0.7
87.00861	0.4
89.02437	2.6
96.96988	0.3
99.00912	0.3
101.02431	2.8
113.02430	1.2
119.03488	0.8
133.05113	0.4
143.03537	0.4
152.99579	4.7
161.04510	1.0
174.00739	0.3
179.05475	0.5
197.02054	0.6
199.63254	0.3
235.08173	2.4
241.00645	0.3
253.06580	0.6
253.09265	12.5
255.23262	100.0
256.23572	5.1
277.21674	1.1
279.23215	2.9
298.02625	0.3
469.33624	0.5
491.32379	0.9
551.29547	3.7
552.29449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.6
61.98815	1.5
69.29604	6.2
71.01369	2.4
74.27418	0.6
89.02441	1.9
101.02451	2.3
102.73330	0.7
113.02435	1.5
148.40118	0.8
161.04486	1.2
228.16722	0.7
235.08153	2.4
253.09241	12.6
255.23256	100.0
256.23724	5.3
515.31787	0.8
548.87567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93882	0.5
52.24109	0.5
59.01374	78.7
61.98823	9.4
65.43825	0.5
70.93374	1.2
75.68093	0.5
96.95995	3.9
102.03498	0.8
106.04236	0.6
116.05150	0.5
119.05012	5.2
120.04563	0.8
130.06635	0.7
132.04555	0.9
134.06125	2.0
135.04532	0.8
136.07660	1.4
137.06078	2.2
144.04579	1.6
146.04823	0.5
146.06100	1.4
147.04521	2.0
148.07669	1.5
150.05650	1.1
158.06088	3.4
159.03300	0.7
160.04005	6.1
160.07642	1.7
161.04811	1.9
162.05577	2.2
162.09233	0.6
163.07556	0.7
164.07169	1.8
174.05602	6.2
175.06346	6.0
176.07150	18.7
178.05063	8.6
178.08661	0.7
179.03477	0.9
188.07086	0.8
190.08705	8.2
193.08755	0.7
194.08171	0.9
206.08238	0.9
207.09012	0.9
208.09717	5.3
222.11320	8.7
224.07405	0.6
235.13040	0.6
242.92380	0.5
252.08679	1.1
254.11826	1.9
264.10120	0.9
281.10455	1.1
296.12888	5.1
298.10794	1.5
319.20782	0.6
328.15567	3.6
340.11761	5.5
372.14456	100.0
373.14819	7.0
390.15543	8.2
391.15829	0.6
395.14349	0.7
432.16595	19.0
433.16983	1.3
510.21042	1.5
520.92212	0.6
552.22321	21.3
553.22498	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	552.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56734	0.2
52.92075	0.2
59.01369	1.8
61.98822	100.0
68.99565	0.2
69.30434	1.7
71.01379	0.5
76.30614	0.2
98.19818	0.3
109.49638	0.2
112.98621	0.3
113.02440	0.2
116.99861	0.2
145.03029	0.2
178.37798	0.2
356.15137	0.3
514.27527	0.3
552.25189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42511	0.2
59.01375	1.5
61.98822	100.0
63.99237	0.2
69.50860	1.0
71.01385	0.4
76.93896	0.2
78.95948	0.3
80.25359	0.2
89.02469	0.4
96.21156	0.2
96.95989	0.4
98.20589	0.4
113.02418	0.3
113.64706	0.2
133.02983	0.2
152.99567	0.3
161.02441	0.2
178.11548	0.2
179.03522	0.3
209.11755	0.4
210.12231	0.4
222.40315	0.2
225.62102	0.2
247.71255	0.2
321.15479	0.3
492.28360	0.3
536.49066	0.2
548.51007	0.2
574.24438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03564	1.0
59.01367	15.4
59.36096	1.0
60.01706	1.2
61.98822	74.2
69.70833	6.2
78.95901	11.7
81.84715	1.0
101.92557	1.1
106.47430	0.9
125.61975	1.1
168.04266	2.3
178.93338	1.1
202.13278	1.3
217.49396	1.0
240.92923	1.0
242.07919	3.0
277.21680	100.0
278.22049	5.0
502.29352	43.9
503.29727	3.6
529.43225	1.2
552.32233	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	552.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09822	0.4
57.68053	0.4
59.01372	4.9
61.98815	1.1
63.17840	0.3
66.47236	0.4
68.20840	0.4
70.05931	0.5
70.84187	0.8
70.84527	0.4
77.92345	0.4
78.95895	31.6
96.96921	0.5
127.07614	0.5
152.99565	4.1
153.49716	0.4
157.88258	0.5
168.04301	5.2
175.65860	0.4
208.14317	0.4
220.74570	0.4
224.06877	10.4
242.07973	3.3
253.21683	16.2
253.24376	0.9
254.22058	0.7
259.20511	0.7
277.21677	100.0
278.22046	5.7
385.01801	0.4
478.29242	6.5
502.29327	96.6
503.29764	8.1
552.25659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
63.76631	0.3
69.40649	2.2
71.01358	0.6
78.81544	0.3
78.95907	0.9
79.95730	0.4
80.96516	2.2
94.98083	0.8
96.95995	1.5
98.19948	0.6
132.93581	0.3
152.99609	0.4
225.00703	0.7
367.47891	0.3
424.33405	0.4
471.34714	14.8
552.32111	0.3
553.26953	4.4
553.35260	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	552.33
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21427	0.5
58.41951	0.4
59.01376	21.2
61.98809	2.2
68.79332	0.5
71.61206	0.5
71.61576	0.6
72.48251	0.5
78.95895	18.9
82.03145	0.5
83.54951	0.5
88.29845	0.5
96.95975	0.9
145.43156	0.6
152.99573	3.0
156.06467	0.4
159.21622	0.5
168.04283	2.5
224.06895	7.2
242.07919	1.8
253.21686	100.0
254.22044	5.5
258.83435	0.5
277.21634	3.2
278.22055	0.7
471.35028	0.9
478.29324	73.5
479.29617	6.1
502.29166	2.2
553.35175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98831	1.8
63.96228	0.8
69.03466	0.5
71.01379	3.4
71.57839	0.3
71.61879	0.5
71.62266	0.4
72.99287	0.9
73.02930	0.7
74.99105	0.5
75.06415	0.3
85.02929	1.1
87.00857	0.7
88.98798	0.7
89.02434	2.6
93.03448	35.2
94.03793	1.0
96.95979	0.6
97.02937	0.5
99.00901	0.7
101.02428	1.0
108.02132	0.9
109.02894	0.5
113.02425	0.9
117.97314	1.2
121.02946	0.7
122.03662	0.4
123.00809	0.5
123.04501	0.9
124.01668	1.3
125.02426	0.9
125.55462	0.3
133.02924	0.8
134.03729	2.6
135.04494	1.1
135.98354	1.4
136.01657	0.5
136.34729	0.3
137.02429	100.0
138.02737	2.4
139.04031	0.6
143.03497	0.3
145.02930	0.4
149.02440	0.9
149.06021	1.1
150.03227	2.8
151.03966	1.3
153.01845	0.5
160.01639	0.6
161.02461	1.7
161.04567	0.5
163.03967	0.7
164.04736	0.6
165.05574	3.4
166.05911	0.4
166.70187	0.3
167.03467	1.6
175.04007	0.8
176.04483	0.7
178.02762	0.6
179.03506	1.2
181.05025	1.6
191.05556	0.4
191.07249	0.4
193.05038	4.5
194.05487	0.6
195.06712	1.7
207.06490	0.6
225.11310	0.7
233.06693	0.4
235.05937	0.4
243.62665	0.4
293.08817	0.9
298.03842	0.5
339.09665	0.5
343.11853	0.8
389.12305	3.1
391.12912	0.8
391.17767	0.6
405.17627	0.5
413.10770	1.0
463.17627	0.4
493.22916	0.5
553.14545	7.8
553.23273	1.8
554.16290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09846	0.2
52.90580	0.2
59.01371	2.2
61.98816	0.3
70.92309	0.5
71.01374	0.4
72.99339	0.2
78.95892	0.8
79.95730	2.5
96.96000	100.0
97.06522	0.3
98.90662	0.3
114.93406	0.5
121.02944	0.3
121.19328	0.2
127.76351	0.2
167.88280	0.2
168.62317	0.2
203.05630	0.4
207.13853	0.6
225.11288	0.8
257.91766	0.2
448.57535	0.2
480.08063	0.2
483.75732	0.2
529.43268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
61.18665	0.2
69.30790	0.9
69.31210	0.6
71.01366	0.4
85.02940	0.4
117.03426	0.4
125.09689	0.4
133.02960	0.7
134.03712	4.7
135.04491	0.5
135.08125	0.6
136.01628	0.2
147.04512	1.1
148.05310	0.4
149.06053	0.7
151.04053	0.2
153.09189	92.0
154.09534	2.8
160.01617	1.7
161.02190	0.2
163.03918	0.2
164.04858	0.2
169.08702	0.5
173.06128	0.2
174.03192	0.2
175.03999	2.3
176.04765	2.6
177.01860	0.6
178.02686	0.7
191.07100	2.9
192.04286	0.5
193.05016	4.6
194.05405	0.3
197.08154	100.0
198.08473	2.7
207.06584	0.9
220.03773	0.7
235.06068	4.6
235.08273	0.3
265.07123	1.3
295.08163	1.5
351.08359	0.2
355.10370	0.8
377.14462	0.3
472.17917	0.2
553.19147	2.9
554.19556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.4
59.76335	0.4
61.98829	0.5
63.67747	0.4
71.01395	0.9
84.21388	0.5
85.02932	0.8
89.02428	0.6
96.96008	0.9
101.02403	0.7
132.02104	0.7
133.89003	0.4
134.03737	4.1
148.05368	0.5
149.06062	0.8
150.03236	0.8
153.09192	77.3
154.09508	1.9
160.01624	2.3
165.05521	0.5
175.03978	3.0
176.04724	1.8
191.07098	2.2
193.05000	4.2
197.08162	100.0
198.08466	2.8
207.06644	0.9
215.09103	0.6
218.99437	0.5
228.44652	0.5
235.06084	3.8
265.07108	1.8
277.72125	0.5
295.08170	2.0
355.10132	0.8
537.50964	0.5
553.19110	3.3
573.91669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96246	1.8
59.01104	3.3
59.01373	56.5
61.98819	27.0
71.01363	10.0
71.60946	2.3
73.02930	3.3
73.87592	2.0
74.14952	2.0
78.95884	3.3
81.94614	1.6
85.02936	6.0
87.00847	2.0
89.02412	7.5
96.95972	7.8
101.02426	11.8
102.05621	4.0
113.02420	9.1
116.92790	2.3
117.03470	2.8
121.02904	2.4
133.02882	7.5
135.04514	15.2
137.06084	12.8
143.29141	2.0
145.02893	12.2
149.02351	3.0
150.03172	4.2
161.02419	22.1
161.04533	3.9
179.03433	19.6
179.05046	2.0
179.05661	2.4
179.10718	4.1
203.00697	2.3
213.90634	2.6
220.06067	2.5
225.00746	2.6
325.59799	1.8
326.09924	7.5
354.29388	2.1
355.19385	2.1
363.62360	2.0
385.22012	2.6
470.41998	2.3
517.26257	20.9
518.20129	42.7
518.27191	2.1
553.23932	100.0
554.24414	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	553.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71928	1.7
55.01873	3.6
57.03423	2.7
59.01373	31.4
61.98816	1.9
63.35988	1.6
69.03397	1.7
71.01369	35.1
71.61785	2.0
71.68940	1.7
73.02942	13.0
75.00855	2.9
75.57648	1.8
83.01390	6.9
85.02929	18.9
88.98823	2.3
89.02430	12.8
95.01352	2.1
96.96038	1.9
99.00903	4.6
101.02435	37.0
109.44884	1.9
113.02451	17.9
118.77438	1.6
119.03497	5.8
121.40930	1.6
124.35696	1.6
135.04507	4.1
137.06050	2.4
143.03476	3.3
159.03035	2.5
161.02429	5.8
161.04512	16.6
176.01044	1.8
179.03436	3.0
179.05569	3.3
189.31204	2.0
191.03435	1.7
191.05621	1.7
197.26910	1.5
209.04509	2.1
235.02377	3.2
269.99222	1.8
282.32697	2.3
331.17526	19.6
361.18616	7.3
493.22833	100.0
494.23166	7.8
553.24725	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	5.9
59.01374	3.3
60.98889	0.8
61.98827	9.5
69.36871	0.9
70.02959	1.2
71.01385	1.1
71.62408	1.1
74.02469	13.2
78.95925	1.4
80.05034	1.0
81.03430	0.9
82.02978	3.2
83.01387	3.2
85.04061	1.2
86.02474	1.2
87.05611	7.4
88.98811	1.3
89.02449	1.0
90.00191	1.3
93.03459	2.4
96.04536	7.2
96.96011	3.0
97.04053	8.6
98.02476	4.0
99.05635	11.0
100.00407	2.2
101.02464	2.3
108.04547	7.3
109.04057	1.3
110.02463	2.2
112.04050	8.9
112.07664	7.8
113.03574	5.4
122.06090	4.3
124.04014	6.0
125.03562	2.3
125.04778	2.8
126.04398	0.9
126.05589	2.6
127.05108	8.8
131.04556	1.3
137.02425	1.6
137.07219	4.7
138.05585	1.1
139.08788	1.4
140.07176	13.5
142.03348	1.4
143.04597	3.1
150.04341	1.5
152.03503	4.7
155.08250	22.7
160.00671	1.1
165.06689	17.4
166.05132	1.5
177.03317	1.2
183.07726	34.5
209.05612	1.1
215.06671	3.5
225.05209	1.6
227.06688	77.4
228.06992	1.2
261.05463	100.0
262.05740	3.7
471.56543	1.0
479.05771	1.1
492.69345	1.0
553.25684	8.6
554.26776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44923	0.5
56.69738	0.5
58.02968	7.8
59.01376	4.6
61.98827	4.9
69.60265	2.4
69.60670	1.3
70.02969	0.9
71.01384	0.7
72.97520	1.8
74.00684	0.8
74.02461	6.7
78.95914	1.2
80.05055	0.7
82.02965	1.5
83.01380	2.1
83.05032	0.6
85.02919	1.0
85.04073	0.7
86.02470	1.2
86.06098	1.2
87.05636	0.6
96.00908	0.7
96.04534	7.3
96.96001	2.0
97.04063	6.7
98.02464	3.5
99.05624	10.0
100.00391	3.9
101.02450	1.5
108.04542	8.0
109.04061	2.0
110.02486	2.2
110.06085	1.1
112.04023	8.9
112.07679	8.8
113.03570	4.4
113.04298	0.8
114.05543	0.7
122.06084	2.6
124.04030	7.9
125.03548	2.2
125.04842	4.3
126.04276	0.5
126.05579	1.4
127.05115	10.1
127.08707	0.8
137.07187	4.4
138.05577	1.8
139.08771	1.2
140.07152	12.2
143.04585	2.1
147.05685	0.6
150.04320	1.1
152.03500	3.4
152.99521	0.8
155.06970	1.1
155.08246	20.5
155.60364	0.5
158.02785	1.8
161.02394	1.5
165.06674	15.4
166.05038	1.8
179.03484	0.8
181.06186	1.2
183.07719	40.9
184.08131	1.3
194.91550	0.5
209.05640	1.9
225.05162	2.5
227.06693	100.0
228.07025	3.6
256.11301	1.5
261.05399	0.8
291.19623	2.6
325.18384	4.6
504.02747	0.6
514.00140	0.6
552.70056	0.7
553.25769	19.9
554.26367	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	553.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02733	0.6
58.02971	7.2
59.01369	3.1
61.98831	4.4
66.26283	0.6
69.23359	2.2
69.23786	3.4
70.02950	0.8
71.01366	0.8
71.68097	0.6
72.04527	0.8
74.02464	15.5
78.95908	0.6
80.05052	1.0
80.96491	0.9
81.03486	0.6
82.02967	3.2
83.01362	2.9
84.00864	0.6
85.02924	1.0
85.04057	1.0
86.02472	0.7
86.06123	0.6
87.05631	6.6
88.98796	0.9
90.00186	0.8
95.01361	0.7
96.04537	10.0
96.96000	1.9
97.04079	8.7
98.02468	5.4
99.05634	11.4
100.00388	2.3
101.02438	2.0
108.04540	7.2
109.04060	1.5
110.02471	2.1
110.06109	0.9
111.03275	0.6
112.04031	11.0
112.07668	9.3
113.02402	0.7
113.03561	4.7
121.89652	0.6
122.06124	3.9
124.04029	6.8
125.03554	2.5
125.04834	4.4
126.04347	0.9
126.05631	2.8
127.05131	9.1
127.08671	0.9
131.04590	1.1
131.08348	0.7
133.02832	0.6
135.04625	0.8
137.07169	4.9
138.05600	1.4
139.08775	0.7
140.03479	0.5
140.07169	14.3
142.03311	2.2
143.04651	3.0
143.08302	0.6
150.04306	1.4
152.03540	4.9
153.06633	1.1
155.08246	23.1
160.00720	1.0
161.02417	0.8
165.06674	16.6
166.05026	2.1
169.06226	1.6
170.91083	0.6
170.99030	0.7
176.95465	0.6
177.03348	1.9
179.03505	0.8
181.06212	1.8
183.07727	31.8
186.02333	1.1
197.05797	1.2
209.05605	0.7
215.06693	2.6
225.05133	1.8
227.06703	81.2
228.07062	2.2
243.47906	0.8
261.05460	100.0
262.05838	3.0
373.14484	0.7
509.52826	0.6
553.25244	7.7
554.26074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43758	1.8
57.79487	1.7
58.02966	6.9
59.01375	23.6
59.48388	1.8
61.98818	15.4
62.05639	1.8
68.12754	2.7
71.01373	3.8
73.02929	2.2
74.02472	10.7
74.95345	2.2
78.95887	9.7
80.96529	2.0
83.01373	4.9
85.02943	3.2
95.01458	2.2
96.04529	8.2
96.96009	29.4
96.96951	3.0
97.04031	4.1
98.02484	5.1
99.05631	12.9
100.00413	3.4
101.02409	3.4
107.26315	1.8
108.04532	7.0
110.02475	2.8
112.04007	9.8
112.07658	12.3
113.02454	3.5
113.03536	4.7
122.06075	3.4
124.04034	8.6
125.03557	2.2
125.04826	4.9
126.05569	2.3
127.05167	10.6
127.05918	2.1
127.24037	1.8
133.02908	3.5
135.04507	6.4
137.07130	4.8
138.05649	2.7
140.07169	13.9
143.04601	2.0
145.61754	2.1
152.03496	2.8
155.08249	19.7
161.02371	10.0
165.06688	14.0
166.05049	3.7
179.03500	2.7
181.06087	3.1
183.07733	42.4
211.13277	3.5
227.06693	100.0
227.08945	4.9
228.07062	4.8
261.05389	11.1
295.22647	4.4
325.18350	3.2
432.16382	2.2
553.25092	26.2
565.20868	2.7
574.08899	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	553.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.8
59.01525	1.0
61.98627	10.4
61.98989	14.0
70.11103	2.3
71.01186	0.5
71.01504	0.6
77.13968	0.4
78.98309	0.4
78.98733	0.5
79.95455	0.4
79.95871	0.7
80.96175	2.5
80.96717	5.4
82.53857	0.5
83.47025	0.4
94.97739	0.6
94.98291	1.4
101.24032	0.4
110.82486	0.4
112.46929	0.5
116.03456	0.5
122.97797	0.5
148.99286	0.5
152.98834	0.7
164.98859	1.1
186.30884	0.5
225.01021	1.9
233.92227	0.6
253.22087	0.5
255.23557	1.8
471.34732	100.0
472.35059	9.2
553.26636	13.2
553.34869	71.4
554.27179	1.3
554.35278	8.0
579.14972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47137	0.6
51.95866	0.6
59.01372	1.9
59.82377	0.5
60.99291	1.5
61.98822	9.2
69.03471	0.5
69.36922	4.1
71.01374	1.2
71.05019	0.7
76.41944	0.5
78.95861	0.8
83.05024	2.8
87.00865	1.3
96.31793	0.5
96.96034	0.7
98.01012	0.5
98.19820	1.0
105.92055	0.6
108.62553	0.6
115.00341	2.1
115.96481	0.5
136.36723	0.6
177.63603	0.5
197.06311	0.7
383.29858	0.7
391.30200	1.5
399.32773	1.1
401.30649	0.7
407.33160	14.3
408.33496	2.4
409.30682	4.0
411.32617	7.1
425.34225	4.5
427.36069	4.9
429.29144	0.7
429.34158	1.0
447.22073	0.6
451.31750	0.7
453.33539	2.1
471.34717	100.0
472.35117	9.7
473.32492	5.3
517.31885	1.1
553.35034	96.2
554.35309	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	553.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47865	0.9
59.01381	1.1
61.98518	1.3
61.98825	21.5
68.99586	1.1
71.62434	1.0
83.82941	1.0
97.06574	4.3
104.07093	1.0
112.98557	1.5
177.39992	1.0
225.17404	0.9
389.28503	1.4
391.30087	5.2
405.31580	4.0
407.33286	10.1
409.31003	1.9
423.28775	1.7
425.33875	4.9
426.34430	1.1
427.34848	2.0
439.32108	1.5
441.33694	2.5
451.32016	12.3
453.33716	59.4
454.34262	5.3
469.33420	2.0
471.34741	61.5
472.35266	5.9
495.16528	1.3
546.50665	0.9
553.18750	2.9
553.35022	100.0
554.30896	12.7
578.41821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
60.99287	1.2
61.98823	10.2
69.97706	0.6
71.05011	0.8
97.06593	4.0
98.20654	1.5
105.88230	0.7
110.88605	0.6
113.02496	0.7
157.42201	0.8
389.28384	1.1
391.29990	5.3
405.31570	4.8
407.33112	10.5
417.37360	0.8
423.28555	1.0
437.30228	1.1
439.32205	1.6
441.33685	3.4
447.53098	0.8
451.32077	11.9
452.32452	1.4
453.33655	63.7
454.33945	6.3
471.34738	40.8
472.35257	4.1
517.31500	0.9
530.31238	0.7
553.35034	100.0
554.35431	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	553.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	0.8
61.98828	2.8
65.39712	0.4
68.69264	0.4
70.76188	0.9
71.05038	0.8
79.95772	0.7
80.96512	1.9
94.98099	0.4
113.16100	0.4
127.47336	0.4
225.00912	0.4
227.63634	0.4
234.60783	0.4
393.31628	1.1
405.31833	0.7
411.32364	0.8
427.35947	0.5
451.31992	0.8
453.33716	6.1
454.34003	0.5
467.82339	0.4
471.34695	100.0
472.35083	9.2
475.78351	0.4
517.20911	0.4
553.27466	4.7
553.34961	87.2
554.27252	0.7
554.35358	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	554.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01183	0.1
59.01379	1.5
61.98821	100.0
62.63295	0.2
70.62772	0.6
70.63170	0.2
71.01380	0.7
85.02949	0.7
89.02440	0.8
93.03458	0.3
96.96014	0.7
98.60733	0.2
99.04517	0.2
101.02441	0.6
107.03831	0.2
107.05003	0.3
113.02438	0.6
119.03474	0.2
121.02988	0.2
121.81417	0.2
122.06094	1.7
123.04518	0.6
129.01973	0.2
133.02937	0.4
134.03714	0.4
135.04526	1.2
141.09174	0.2
149.06155	0.3
152.07156	3.4
153.05569	0.6
153.09195	1.3
160.01619	0.3
161.02408	1.0
163.04010	0.2
175.04008	0.6
177.05569	0.2
179.03450	0.9
179.05733	0.3
181.05077	0.3
197.08200	0.9
202.88640	0.2
215.09225	1.6
237.10349	0.6
237.56146	0.2
246.33820	0.2
253.09814	0.3
265.06149	0.3
266.07050	0.4
281.09244	2.0
293.09149	0.9
313.11841	0.5
315.10767	1.0
324.09961	0.2
326.16156	0.2
337.09268	0.5
339.07172	0.5
339.12753	0.3
357.11856	0.2
446.17035	1.0
478.19720	1.9
490.15952	0.6
491.15698	0.7
495.18994	0.4
510.22449	0.7
522.18774	2.8
554.20398	0.9
555.20129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59990	0.3
59.01385	0.5
59.15733	0.3
61.98810	1.2
62.96395	0.3
66.11765	0.3
71.65534	0.2
78.95893	22.3
80.96497	2.1
85.46369	0.3
94.98065	0.6
96.96960	0.3
112.98562	0.3
121.41702	0.3
146.49170	0.3
152.99565	3.0
157.92453	0.3
168.04277	3.9
187.51755	0.3
194.00299	0.3
224.06908	8.1
236.63548	0.3
242.08002	2.2
279.23236	100.0
280.23575	6.1
326.68091	0.3
454.34067	0.9
471.34610	1.0
472.35046	4.4
473.35739	0.6
504.30893	78.2
505.31238	7.4
553.35004	0.8
554.27094	3.2
554.35443	5.6
555.27087	0.5
555.35669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19382	0.2
59.01363	0.3
61.98811	0.7
71.52801	0.4
73.07671	0.2
78.95893	6.0
80.96513	0.5
91.15279	0.2
136.73880	0.2
152.99583	1.2
168.04269	1.4
224.06917	1.0
242.07991	2.7
261.22137	0.3
262.28461	0.2
279.23236	100.0
280.23560	5.4
468.44031	0.2
504.30884	38.2
505.31110	3.2
505.42633	0.3
553.40973	0.4
554.27136	0.9
554.41302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22686	0.5
55.04618	0.5
59.01369	0.5
61.98824	100.0
70.75551	1.4
71.01374	1.7
78.98586	1.4
79.84606	0.4
79.95735	1.7
80.96508	13.7
85.02972	0.5
94.98076	3.2
106.98057	0.7
122.97611	0.5
125.02420	0.7
130.23735	0.4
134.87086	0.4
134.97578	0.8
148.99083	1.0
152.16815	0.4
152.98584	1.1
152.99652	0.6
164.98615	2.7
193.01962	0.4
206.99725	0.5
225.00713	2.9
255.23196	0.8
277.24316	0.4
285.65695	0.4
299.04330	1.1
347.62488	0.4
469.33127	13.3
470.33392	1.5
472.34174	0.6
554.30896	62.9
555.28302	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	554.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.3
61.98837	1.5
61.99107	0.3
64.19106	0.2
67.69898	0.2
70.03704	0.5
70.04096	0.6
75.03857	0.3
78.95894	5.2
79.95710	0.2
80.96532	0.9
152.99611	1.0
168.04269	1.2
224.06975	0.8
242.07997	2.6
255.23260	100.0
256.23590	5.2
279.23312	0.6
287.22272	0.3
352.01843	0.3
471.34674	0.9
472.35046	11.4
473.35376	0.5
480.30890	35.7
481.31137	3.0
504.31091	0.4
554.27087	1.7
554.35205	9.5
555.35590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27355	0.4
59.01372	23.3
62.93391	0.4
69.41188	3.3
69.85073	0.4
78.95895	19.0
96.96847	0.4
145.10553	0.4
152.99571	3.2
168.04256	2.7
216.78572	0.5
224.06868	7.3
224.08868	0.7
232.93675	0.5
242.07976	1.5
255.23254	100.0
256.23563	5.1
480.30875	62.9
481.31329	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	555.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	27.4
61.98815	24.0
70.16442	18.5
71.01379	18.3
85.02941	7.1
89.02410	14.8
96.95996	100.0
111.04483	7.8
113.02454	9.8
119.03484	7.0
133.02968	6.9
134.03654	8.3
135.04520	43.6
137.02448	10.2
150.03175	8.3
151.03958	11.1
153.05502	7.9
161.02414	21.6
161.04550	6.5
163.03960	20.1
164.04764	11.9
167.64758	7.1
179.03493	14.8
179.05502	14.7
181.04970	6.5
190.02742	17.0
193.05182	9.1
195.06586	7.2
205.05028	28.5
207.90744	6.4
223.06075	13.5
266.07211	6.4
339.12265	8.8
349.14966	14.0
357.84784	6.4
528.51013	6.6
555.25299	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13436	1.0
53.84027	0.9
55.01878	1.2
57.03442	1.6
58.00592	2.5
58.26977	1.0
59.01372	100.0
61.98812	1.7
65.03947	2.1
67.01872	4.6
68.99461	1.4
68.99805	15.2
69.03447	5.7
70.93595	1.5
70.93958	2.2
71.01374	45.1
72.99283	4.3
73.02930	1.4
78.98830	1.1
81.03447	2.2
83.01359	2.7
83.05007	6.8
85.02940	10.5
87.00855	3.0
89.02434	56.6
93.03446	53.3
95.01366	7.1
99.04510	2.7
101.02431	51.2
107.05000	5.0
108.02277	1.2
109.02937	5.3
111.00866	24.8
111.04507	45.2
113.02435	23.0
117.03432	1.0
119.03488	19.5
119.04964	9.3
121.02957	6.0
123.04507	2.9
127.04002	10.5
131.03484	2.4
133.02957	1.2
135.04504	10.3
137.02426	33.9
137.06053	8.3
139.00357	15.2
139.03978	1.3
143.03474	3.7
147.27310	0.9
149.02458	2.0
149.04491	2.0
149.05998	1.2
151.04034	6.1
151.05013	1.5
153.05534	3.8
155.03447	2.9
161.02383	1.9
161.04547	2.6
161.05981	1.3
163.03954	7.2
165.01865	5.5
165.05498	3.3
177.01855	1.3
177.05527	3.2
179.03456	5.5
179.05574	9.8
181.05055	24.4
185.07996	1.0
195.06589	6.6
207.02942	4.9
211.06073	2.0
213.07648	5.3
225.03981	2.0
239.05562	11.7
273.07642	85.7
274.08051	5.4
275.05554	10.0
276.53558	1.1
291.08698	3.2
307.08163	34.7
307.11679	1.7
308.08401	2.5
343.07935	7.7
347.11044	1.3
357.09714	3.5
361.09268	15.3
362.09683	1.3
375.10809	4.0
375.12415	3.7
393.11841	36.4
394.12234	2.3
419.11920	13.8
430.99374	1.2
555.08905	1.7
555.17108	26.7
556.17255	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	555.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03441	6.2
57.10316	1.0
58.00597	1.6
59.01374	42.1
61.98810	3.2
65.56893	1.0
71.01372	31.5
72.99306	1.5
73.02927	5.0
83.01373	4.2
85.02945	11.0
87.00885	5.2
89.01904	1.8
89.02438	24.6
93.03443	1.5
95.01363	2.7
95.08665	3.6
96.96016	5.3
99.00871	3.7
101.02428	28.1
107.08640	1.9
107.63704	1.1
109.02940	2.1
111.00876	1.9
113.02441	10.0
119.03468	9.2
119.38680	1.1
121.06580	1.4
123.04527	2.6
124.01617	1.4
125.02406	1.4
125.09687	2.7
129.01920	1.8
133.02950	30.6
133.60791	1.1
134.03677	2.7
135.04509	35.9
137.02438	2.6
139.07652	11.1
147.02902	1.6
149.02451	1.3
149.06064	6.4
150.03207	2.8
151.07648	33.5
153.01855	1.3
157.08711	1.9
161.02434	100.0
161.04564	4.5
162.02760	2.8
165.05528	4.0
168.00606	1.7
169.08627	3.8
172.47708	1.1
173.04524	2.0
177.05556	13.0
179.03482	43.3
179.05196	2.1
180.03941	1.3
183.02983	1.3
183.06628	11.4
191.01955	2.2
191.05649	2.9
193.05016	1.2
195.06544	3.1
201.07666	1.3
201.11258	3.9
213.07652	9.0
221.04538	20.7
225.07735	1.8
235.06084	1.6
251.05540	19.7
255.06447	1.6
270.08963	1.7
281.06638	37.2
282.07031	1.8
295.08286	2.2
323.07898	1.6
331.14050	2.7
341.08719	50.2
342.09128	1.7
363.12830	11.3
375.12891	16.2
391.59891	2.0
393.13974	78.7
394.14209	4.1
493.17093	12.5
525.16058	5.8
537.16125	20.3
538.16528	2.2
555.17029	80.3
556.17285	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	555.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
55.49358	0.2
58.00577	0.2
59.01376	3.8
60.81078	0.2
61.73491	0.2
61.98827	0.6
64.94104	0.2
69.33886	0.5
69.34312	1.0
71.01373	2.2
72.99269	0.2
73.02929	0.9
85.02951	0.6
87.00850	0.3
89.02444	2.8
89.03940	1.2
90.37147	0.2
96.96007	0.7
97.02956	0.2
99.00876	0.8
99.77277	0.2
101.02439	1.3
102.02798	0.2
106.04221	0.4
107.05067	0.2
113.02442	0.8
117.03452	4.5
117.04246	0.3
119.03495	0.6
131.03442	0.4
132.02161	3.6
133.02994	0.9
134.03725	77.1
135.04425	2.2
137.02470	0.2
149.04350	0.2
149.06064	7.8
153.09175	0.9
160.01639	13.1
161.02455	1.9
175.03984	11.8
176.04272	0.4
178.02623	0.4
179.03452	1.0
179.07147	0.2
193.05029	100.0
194.05356	3.3
197.08160	1.5
337.09171	0.5
379.15994	0.4
473.14551	0.3
517.13049	0.2
525.21503	0.3
555.20636	8.6
556.20892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2076
Annotation	Dracunculifoside P
Peak:m/z	Relative Intensity
57.03436	0.9
59.01375	8.3
69.03449	1.1
71.01383	4.7
73.02958	0.8
73.26408	0.7
74.13189	0.6
77.51490	0.5
82.87312	0.6
85.02958	0.9
89.02431	5.0
91.05518	0.7
91.79014	0.6
95.05063	0.6
98.20605	1.7
99.00886	1.9
101.02459	1.4
106.04269	1.0
107.05035	1.7
113.02429	0.8
113.19421	0.6
114.36063	0.6
117.03456	1.8
119.03501	0.6
121.02898	0.6
121.06590	5.4
125.02293	0.7
127.07641	1.8
130.22345	0.7
132.02185	1.0
133.02951	17.8
134.03743	10.4
135.04521	100.0
136.04843	2.4
137.06096	1.3
139.00377	1.7
139.07669	4.1
140.09631	0.6
153.09212	2.6
154.09546	1.3
161.02437	48.9
162.02782	2.0
165.05565	2.3
175.03929	0.8
179.03482	59.2
180.03851	1.4
183.10278	2.5
193.05072	5.2
197.08139	3.1
197.11798	1.3
198.08525	2.5
199.08612	1.3
203.38503	0.6
209.04532	4.0
225.11279	2.7
394.12558	0.6
524.68652	0.7
555.20740	63.5
556.20923	4.8
557.47906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00556	0.2
59.01373	4.7
61.98827	1.8
69.03457	0.2
71.01369	2.0
71.61102	0.3
72.57740	0.2
73.02949	0.4
78.95885	0.4
79.95728	3.2
83.01401	0.4
85.02937	0.6
89.02441	1.1
96.96001	100.0
97.95943	0.3
101.02447	1.2
113.02444	0.6
117.03466	0.2
119.03413	0.2
119.05004	1.3
129.09245	0.2
133.02968	0.7
135.04497	1.3
137.06105	0.2
145.02937	0.7
152.03529	0.3
154.01408	0.3
161.02408	1.2
163.03944	1.3
171.10310	0.3
178.04926	0.2
179.03438	1.1
179.07072	0.5
183.13889	1.4
198.05978	0.3
224.07306	0.2
258.12546	0.2
295.22717	0.7
313.23792	1.5
375.18375	0.4
426.62094	0.2
455.36411	0.2
457.27777	0.6
475.29037	7.4
476.29517	0.5
492.17044	0.3
555.24677	53.2
556.24976	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	555.2744
Annotation	Artocommunol CB
Peak:m/z	Relative Intensity
50.18587	1.4
58.02964	9.9
59.01368	13.0
61.05908	1.4
61.98818	15.9
70.14548	1.2
71.01379	9.3
71.61552	1.5
72.04540	1.8
74.02459	11.7
75.00854	3.6
78.95893	1.7
82.02972	2.6
83.01385	2.2
85.02953	3.6
86.02460	1.4
86.06152	1.5
89.02428	3.7
95.05004	3.1
96.04548	9.7
96.95992	4.3
97.04053	10.0
98.02476	6.5
99.05633	13.6
100.00383	1.7
101.02447	8.1
108.04543	9.9
109.04064	1.9
110.02496	3.3
112.04031	10.3
112.07687	9.6
113.02449	3.9
113.03532	4.9
117.03439	2.6
117.96449	1.1
119.03477	1.2
119.04990	3.5
121.02958	1.9
122.06097	3.6
124.04022	10.6
125.03541	3.3
125.04795	4.8
126.04372	1.7
126.05606	2.3
127.05139	11.1
133.02917	1.9
135.04507	4.3
136.04787	1.4
137.06160	1.4
137.07175	5.4
138.05547	2.4
140.07146	14.9
143.04558	3.1
145.02924	9.0
152.03491	5.2
155.08244	26.6
161.02470	7.0
163.04004	2.5
163.11372	2.1
165.06677	20.6
179.03473	4.3
181.12263	2.5
183.07721	40.3
193.41435	1.4
209.05656	3.1
225.05107	2.1
225.11311	3.8
227.06700	100.0
228.07051	3.1
293.21182	4.0
327.19955	11.8
333.20377	2.2
519.27344	4.5
554.76385	5.0
555.27405	94.7
556.27399	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	555.2774
Annotation	Artocommunol CB
Peak:m/z	Relative Intensity
61.98821	3.3
69.93970	1.2
80.53868	0.3
99.47781	0.3
99.92038	0.3
99.92573	14.9
100.93353	5.2
115.92064	100.0
116.92068	3.0
116.92849	2.5
119.81643	0.3
124.60362	0.3
126.38996	0.3
127.51460	0.3
132.92317	0.9
182.11923	0.3
183.63362	0.3
277.21625	1.9
399.30334	0.3
455.35126	0.9
457.36133	0.4
461.82004	0.3
471.18735	0.3
537.26727	0.8
540.25122	0.4
555.27753	70.5
556.28064	9.7
569.25653	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	555.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14704	0.6
59.01367	4.1
61.98829	2.2
63.96220	1.0
69.47025	5.2
71.01385	6.4
73.01891	0.7
73.02953	1.2
78.95895	7.5
78.98576	5.5
79.95733	8.9
80.96509	58.1
81.03468	0.9
85.02951	1.9
87.00867	3.0
94.98076	13.9
96.96013	1.5
97.02940	1.5
97.06580	1.1
99.08131	1.2
101.02402	1.2
106.98081	2.4
113.09679	1.3
122.97569	4.0
125.02418	2.1
127.04017	1.0
134.97568	3.3
136.99130	1.1
141.12830	1.6
148.99109	5.4
152.98622	6.8
152.99571	1.2
155.14330	0.9
163.08887	0.6
164.98616	8.4
168.04327	1.1
182.99678	2.1
206.99675	2.9
211.20558	1.0
224.06888	1.7
225.00717	18.0
239.20206	1.1
241.21855	1.1
243.01761	1.3
255.23248	9.2
256.23581	7.3
265.18195	0.7
267.19604	10.1
269.21167	10.4
281.24808	23.2
283.19061	0.7
285.20673	51.3
286.21060	2.8
287.22250	49.9
288.22687	2.5
299.04343	3.1
480.30811	1.0
481.31085	9.5
506.32449	19.2
555.28522	100.0
555.42395	90.4
556.28772	11.5
556.42657	10.7
556.62653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
59.10935	0.2
61.98822	0.6
62.26127	0.2
62.96399	0.7
63.25332	0.2
69.26846	2.4
71.01379	0.4
78.95894	100.0
79.95748	0.4
85.02945	0.4
89.02413	0.4
95.96164	4.2
96.95999	14.1
96.96952	32.4
101.02468	0.4
113.02437	0.3
116.92831	0.6
119.04919	0.4
122.00120	1.6
122.98481	1.9
130.08716	0.9
133.02917	0.6
135.04518	1.1
137.06079	2.7
140.01175	9.8
148.54729	0.3
150.03226	0.4
152.99556	0.7
161.02400	0.9
171.00713	0.4
177.05579	0.3
179.03464	0.7
197.08229	0.3
271.37268	0.3
280.12515	0.3
289.03571	0.6
292.48462	0.3
376.08002	1.4
418.09198	0.9
420.41724	0.3
524.12994	1.4
532.50995	0.3
556.15833	23.7
557.16302	1.9
557.26361	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	556.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79869	0.5
61.98820	100.0
78.95892	0.8
112.98586	0.8
116.10017	0.6
119.61944	0.6
121.34766	0.6
140.58998	0.6
189.36018	0.6
224.20358	0.6
273.01056	0.6
277.21777	0.8
279.23224	2.2
453.34088	1.4
471.34821	8.4
474.36319	1.7
504.30942	1.6
556.32397	78.4
557.32806	6.3
562.29858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78060	0.6
53.98930	0.6
59.13868	0.6
59.67849	0.6
61.98824	100.0
67.45980	0.5
71.62603	0.7
78.95893	1.0
80.96524	0.9
81.95286	0.8
82.96108	1.7
87.64527	0.7
89.59148	0.7
105.25843	0.6
165.82549	0.5
167.01143	0.7
287.22369	2.2
471.34717	8.5
472.35287	1.3
556.32697	60.0
557.33008	6.4
557.44421	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	556.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68272	0.5
55.16590	0.7
59.01356	1.3
60.99284	0.9
61.98821	97.9
68.99799	0.8
71.61774	0.6
83.05044	0.7
90.33231	0.5
96.95944	0.7
122.75553	0.6
133.05179	0.6
135.12791	0.5
336.55835	0.6
391.29901	0.6
407.33081	3.6
409.30862	1.3
411.32419	1.4
425.33939	1.8
427.35626	0.9
462.50177	0.7
471.34695	15.1
472.34912	1.7
473.35669	1.4
474.36960	3.3
556.32379	100.0
557.32819	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	557.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37814	1.8
59.01372	19.2
60.99288	7.1
61.98824	100.0
69.03441	3.4
69.28163	9.9
69.28590	7.9
71.01376	17.5
73.02933	4.3
85.02940	2.0
85.46267	2.4
87.00870	3.9
88.98804	41.5
89.02419	16.2
93.03460	9.5
95.01370	2.1
96.96004	23.9
97.02966	2.8
101.02433	6.6
113.02435	3.1
115.04008	2.4
117.03429	3.9
119.04993	2.6
121.02950	4.0
125.02422	7.5
126.85593	1.7
132.02203	1.8
133.02965	2.7
134.03729	53.3
135.04552	11.4
137.02434	11.7
145.03059	2.3
149.04555	5.7
149.06027	5.5
153.01958	2.6
153.09172	11.8
160.01630	9.1
161.02368	5.7
161.04482	1.8
163.03925	2.6
173.04533	2.7
175.04033	9.1
179.03487	6.1
191.05598	4.2
193.05031	73.2
197.08177	12.9
203.42711	1.7
227.07115	7.8
233.06665	6.4
293.08765	32.6
307.04712	2.0
329.06320	4.5
359.10977	2.3
413.10794	8.3
445.59729	2.1
513.23822	2.0
557.13922	8.5
557.22839	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	557.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.7
60.38894	0.7
60.99298	17.4
61.98823	85.7
62.98525	1.1
63.99250	10.5
66.24527	0.6
67.45522	0.7
69.03407	0.9
69.46075	5.7
71.01376	3.0
74.56232	0.6
76.51125	0.6
85.02922	0.7
87.00889	1.3
88.98795	100.0
89.02423	1.9
95.04994	1.3
96.95999	19.8
101.02418	1.2
103.64163	0.8
111.00865	0.7
113.02482	1.0
119.03493	0.8
121.02967	2.1
121.06585	8.8
133.02924	1.1
135.04504	6.6
136.04852	0.8
137.05002	0.9
139.00345	2.4
139.07620	7.3
141.12758	1.0
150.43311	0.6
153.09200	15.7
154.09531	1.2
155.10736	0.8
161.02425	3.1
165.05544	4.5
171.13890	3.1
173.04536	2.1
179.03464	3.4
179.07278	0.7
180.03801	0.8
185.11781	5.9
190.71902	0.7
197.08159	21.0
198.08456	1.6
199.13396	5.4
209.04509	6.1
227.12854	6.2
234.85593	0.9
242.16490	0.7
261.03271	0.7
335.22162	7.0
417.41452	0.7
513.23303	1.0
557.22363	8.4
558.23065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.2
60.99302	15.3
61.98822	1.2
64.32799	0.4
71.01367	0.7
84.06014	0.3
85.02922	0.6
88.98795	100.0
89.99115	0.8
96.95995	5.5
98.19828	0.8
105.12991	0.4
113.85043	0.4
133.02966	0.7
135.04500	3.0
161.02390	1.8
179.03470	2.2
193.04950	0.5
261.09213	0.4
273.55847	0.5
308.10052	0.4
376.75137	0.4
421.70078	0.4
518.44751	0.4
544.29590	0.5
557.22272	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	557.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07608	0.5
59.01386	0.6
60.99299	17.6
61.98801	0.8
69.50317	2.8
71.67733	0.4
85.02956	0.5
88.98795	100.0
89.99113	0.9
96.95976	2.4
98.20598	0.8
111.00856	0.6
135.04498	0.6
197.07933	0.4
390.90067	0.5
407.52219	0.4
581.41223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	4.4
61.98822	7.1
69.03464	6.6
71.01369	7.0
75.00867	3.3
76.40856	3.3
84.31870	4.0
95.01376	50.2
95.05064	4.8
101.02412	5.0
101.03105	3.5
111.00881	4.4
117.03424	3.5
119.05032	6.5
121.02937	59.6
139.00363	76.7
145.02954	22.0
160.05321	3.9
161.04524	4.0
163.03995	5.6
164.43108	3.4
165.05490	9.0
179.03346	4.1
180.67172	3.7
183.77667	4.2
209.04517	100.0
329.13895	28.7
335.05698	4.0
359.14877	11.1
378.17044	3.5
381.87915	3.4
557.18195	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	557.202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64783	0.3
59.01376	1.8
61.98816	1.6
70.02476	0.9
71.01377	1.0
78.95871	0.6
83.01391	0.4
85.02956	0.3
89.02429	0.7
91.05552	0.3
93.03446	0.8
96.95994	7.0
98.20572	0.3
101.02424	0.5
103.34946	0.3
106.04247	0.3
113.02489	0.3
117.03448	1.6
119.05007	100.0
120.05324	2.0
122.71807	0.3
131.20975	0.3
133.02948	0.5
135.04526	0.5
145.02927	4.6
161.02380	0.9
161.13356	0.7
163.03981	94.3
164.04303	3.2
179.03517	0.3
187.03964	0.8
187.11330	0.5
205.05066	0.4
205.12320	1.2
247.45279	0.3
248.08493	0.3
249.11243	1.1
258.99771	0.3
297.10672	0.3
307.08295	1.3
311.09561	0.4
325.09222	1.9
333.13794	0.4
351.15134	0.3
393.15350	0.7
411.16672	0.5
513.20947	1.0
513.27789	0.4
539.25128	0.6
557.19110	0.7
557.26611	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	557.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02634	0.2
59.01369	1.6
61.98833	1.6
62.32341	0.2
63.93082	0.2
65.38114	0.2
69.51034	0.5
69.51447	1.2
71.01378	0.6
85.02963	0.3
90.53629	0.2
91.05537	0.2
91.42100	0.2
93.03443	1.0
94.99640	0.2
96.95992	3.8
101.02408	0.5
113.02422	0.6
117.03445	1.1
119.05011	100.0
120.05322	2.3
133.02971	0.3
133.06487	0.2
135.04492	0.2
145.02930	4.7
152.62015	0.3
159.11867	0.3
161.06091	0.4
161.13301	1.0
163.03986	94.1
163.70430	0.2
164.04337	2.7
187.04024	0.6
187.11255	0.8
205.05002	0.5
205.12314	0.8
210.79918	0.2
249.11264	0.7
307.08206	1.9
325.09225	1.9
332.17465	0.2
380.14435	0.2
393.15433	0.3
491.36295	0.3
513.21198	1.0
539.25159	0.4
557.19971	0.7
557.27539	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	557.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00560	4.8
59.01371	36.6
60.99302	6.7
61.98820	100.0
62.98502	2.4
63.99261	12.3
65.03934	2.0
67.01888	3.0
69.03447	52.6
69.54485	10.7
71.01379	19.5
71.04993	3.3
75.76908	1.3
77.42376	1.4
83.01334	2.1
84.24683	1.4
85.02953	2.6
85.84768	1.4
87.00866	2.1
88.42516	1.5
88.98268	1.7
88.98795	33.6
89.02400	6.6
91.12460	1.3
92.92695	1.2
93.03436	2.0
93.07041	2.6
95.04469	1.9
95.05014	21.6
96.95997	13.0
101.02412	7.8
102.26038	1.3
106.04218	11.6
111.00851	2.5
111.04438	1.4
111.08134	1.6
113.02428	6.7
119.04987	2.9
121.02934	11.9
121.06579	76.0
123.04453	5.6
134.03700	2.3
135.04497	7.1
135.08052	1.6
135.11630	2.1
137.05923	2.2
139.00348	18.4
139.07628	48.8
139.11232	2.2
140.07870	1.8
141.12871	6.7
149.32179	1.7
153.09186	11.9
153.12743	2.1
161.02379	3.1
165.05528	36.4
165.12700	3.5
168.13771	1.4
171.13887	20.3
179.03432	2.9
181.12277	3.3
183.06570	8.2
185.11794	57.8
193.05029	1.4
197.08147	16.4
199.13365	49.4
200.13516	1.7
209.04517	43.9
209.11761	8.0
211.05931	1.7
227.12839	58.9
228.13112	3.1
257.13797	2.2
327.10678	3.1
345.11752	7.7
513.23395	18.9
557.21954	62.4
558.22321	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	557.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14628	1.8
58.00571	7.3
59.01101	3.1
59.01372	52.3
60.96996	1.7
60.99281	7.4
61.98822	82.7
63.99249	9.0
65.03914	1.9
67.01871	2.9
69.03449	93.4
69.54655	12.6
71.01373	29.5
71.04992	3.3
72.99287	2.2
73.02924	3.9
75.00819	2.0
81.96333	1.8
85.02898	2.9
87.00874	3.3
87.04502	3.0
88.98251	2.6
88.98796	40.7
89.02427	6.7
93.07095	3.4
95.01363	2.1
95.05018	32.6
96.95985	11.6
99.04539	1.9
101.02456	8.9
103.05534	2.0
106.04229	11.4
111.00852	5.0
111.08118	2.3
113.02404	7.7
119.03473	3.2
121.02945	14.9
121.06581	100.0
122.06892	2.6
123.04515	10.3
128.54883	1.7
133.02936	2.6
134.03697	6.5
135.04503	11.2
139.00363	25.0
139.06586	3.2
139.07628	55.2
139.11249	3.5
141.12869	8.7
143.42865	1.7
148.14194	1.7
149.49486	1.7
153.09207	16.2
159.24080	1.9
160.01642	2.0
161.02345	3.4
161.04512	2.3
165.05542	46.4
165.12810	4.0
171.12553	2.6
171.13879	29.9
171.15285	3.4
179.03412	5.7
181.12317	3.9
183.06606	13.7
185.10190	4.2
185.11797	68.6
186.12198	2.6
193.04964	7.2
197.08168	23.3
197.11682	1.7
199.13359	62.8
209.02693	3.0
209.04544	51.0
209.11813	12.5
210.04637	2.2
210.11864	2.2
227.12854	76.6
228.13216	2.7
239.12759	2.5
257.13873	4.0
287.14868	2.9
327.10660	2.0
345.11816	13.7
513.23334	35.1
514.23334	2.8
521.16559	2.9
557.22113	99.1
558.22400	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	557.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00113	0.5
58.00587	0.6
59.01373	13.6
61.98820	7.4
62.85793	0.7
71.01383	3.9
71.62356	0.8
72.99304	1.1
75.00864	3.3
78.80299	0.5
78.95904	1.2
85.02945	1.0
88.98801	0.9
89.02429	5.9
91.03999	25.8
96.96044	1.4
99.00885	3.1
113.02408	0.7
117.01928	2.5
133.02942	1.3
135.03015	0.7
135.04498	2.2
161.02419	1.8
179.03441	1.9
179.14442	0.6
185.79796	0.5
195.13872	6.9
195.15565	0.8
196.14558	0.6
205.12250	0.7
223.13383	5.3
228.13644	1.1
235.17007	0.9
256.13165	1.1
275.20145	7.5
293.21191	100.0
294.21564	6.6
311.09561	1.2
323.39890	0.6
350.65970	0.5
354.47037	0.5
362.56723	0.5
431.65015	0.6
440.57605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.98822	1.1
71.01378	0.6
71.07866	0.7
77.14790	0.4
79.95730	3.1
83.78679	0.3
89.02429	0.5
96.96001	100.0
101.02402	0.4
150.03201	0.4
165.05521	0.4
169.74324	0.4
197.08142	0.6
342.29129	0.5
409.48041	0.4
557.26276	61.9
558.26642	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	557.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
59.40292	0.2
59.83645	0.2
61.98817	0.4
63.07983	0.2
63.16888	0.2
67.13672	0.2
69.40952	0.5
69.41361	0.9
71.01367	0.9
72.62508	0.2
78.95892	2.3
79.95729	2.9
82.31738	0.2
89.02430	0.8
96.95997	100.0
98.95573	0.2
101.02462	0.4
113.02471	0.2
114.10722	0.2
116.92808	0.3
119.03500	0.3
125.07592	0.2
161.02440	0.3
196.21962	0.2
210.93068	0.2
222.97290	0.2
272.07458	0.2
377.20032	0.4
471.56198	0.3
557.26251	55.0
558.17786	0.4
558.26514	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	557.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
69.03436	0.4
69.37030	1.0
69.37458	0.6
71.01363	0.7
71.82825	0.2
79.95729	3.3
82.53198	0.2
85.02907	0.4
89.02441	0.6
92.92631	0.2
93.03443	0.4
94.66975	0.2
96.95997	100.0
97.95967	0.2
101.02420	0.6
113.02435	0.4
121.02927	0.4
135.04503	0.9
137.02333	0.2
150.03192	0.6
153.09184	0.6
161.02400	0.6
163.03992	0.5
165.05559	0.5
177.05602	0.2
179.03442	0.5
195.06544	0.4
197.08170	0.6
215.09187	0.7
293.14200	0.3
305.83096	0.2
320.98932	0.2
323.90479	0.2
361.16330	0.4
455.11981	0.4
509.21661	0.6
557.26282	53.8
558.26599	4.7
569.00940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2958
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
57.03435	1.3
58.00583	0.5
59.01372	62.0
61.81804	0.5
61.98817	4.8
68.53902	0.5
69.26700	0.4
71.01372	5.2
71.61848	0.8
73.02945	2.2
75.15391	0.5
78.95869	0.5
82.95396	0.6
83.01384	0.7
85.02933	1.8
89.02432	3.4
95.04994	0.8
96.95994	4.8
97.06642	0.5
101.02419	3.7
107.53662	0.5
113.02442	2.2
119.03494	1.4
119.05001	2.9
129.59038	0.5
133.02899	0.9
135.04500	1.1
139.11276	14.1
143.03426	0.6
145.02954	0.8
161.02431	2.1
163.04010	2.3
163.11272	1.1
165.09120	0.5
179.03441	1.6
181.12299	4.9
183.10237	16.3
184.10596	0.7
199.13394	0.7
213.66690	0.5
225.11229	3.3
243.12291	1.4
369.29010	0.5
379.54544	0.5
392.76483	0.5
513.27362	1.0
539.28644	2.3
540.29083	0.7
557.29608	100.0
558.29938	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	557.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06441	0.6
56.84376	0.6
57.03441	1.4
59.01371	63.5
61.53497	0.6
61.98822	6.3
62.81015	0.7
67.93350	0.6
68.99777	0.6
71.01368	6.4
71.61939	0.7
71.62355	0.9
72.99290	1.4
73.02937	2.3
78.95886	0.9
82.95381	3.7
83.01367	0.9
85.02933	2.6
87.00843	0.9
89.02418	4.1
95.01381	1.1
96.95986	9.1
99.00805	0.7
99.04494	0.9
101.02431	4.2
113.02433	2.1
116.92790	0.8
119.03477	1.9
119.05000	2.9
133.02939	1.0
135.04509	2.1
137.02434	0.8
137.06033	0.8
139.11267	16.6
140.11563	0.7
161.02460	3.1
163.04030	3.5
163.11385	1.0
165.09221	0.8
179.03476	2.3
179.10727	0.8
181.12360	5.5
183.10222	16.7
184.10597	0.9
191.06143	0.6
193.12119	0.6
225.11322	4.8
227.66779	0.7
243.12282	1.3
311.09479	1.0
539.29034	4.1
557.29608	100.0
558.29810	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	557.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43053	1.8
57.03461	2.6
57.72625	1.8
59.01374	23.8
61.98822	35.0
63.61546	1.8
69.03467	3.8
70.89844	4.8
71.01374	15.3
73.02935	3.2
75.00882	2.6
80.65305	2.3
85.02976	5.8
87.00861	3.2
88.98818	2.9
89.02462	8.3
93.03452	3.7
96.95998	36.7
99.04543	2.4
101.02468	8.3
109.02950	2.2
113.02444	6.4
119.03520	3.4
119.05006	10.7
121.02946	3.5
123.04552	3.8
133.02971	3.3
134.03770	5.2
135.04523	29.6
137.02498	4.1
149.06033	2.4
150.03287	2.5
151.04054	3.1
153.05612	6.0
153.09213	14.0
160.01703	6.5
161.02429	14.2
161.04510	4.8
162.02773	3.0
163.03978	11.0
173.04622	7.0
175.03995	12.0
179.03494	22.3
191.05544	3.7
191.14378	4.0
193.04979	4.0
195.06613	3.4
197.08160	14.9
219.06578	2.9
235.13379	3.9
242.01071	2.3
293.14020	4.9
311.40796	2.0
333.99500	2.4
343.43332	2.4
388.40842	2.1
475.67892	2.4
495.18893	3.2
521.19916	5.9
521.32898	22.2
557.22925	15.3
557.31281	100.0
558.23859	2.1
558.31909	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	557.32
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85249	0.1
59.01369	0.8
60.01711	0.2
61.98823	100.0
70.74869	0.3
70.75239	0.2
78.95901	1.6
80.96308	0.2
92.98682	0.1
95.83423	0.1
134.66599	0.1
141.12888	0.1
152.99565	0.5
172.79025	0.1
224.06949	0.2
226.07449	0.1
255.23271	2.5
256.23602	2.5
257.23886	1.5
258.24115	0.9
269.21024	0.3
281.24655	0.3
282.25183	0.3
287.22241	5.6
288.22662	0.2
352.34552	0.1
409.23535	0.2
480.30862	1.4
481.31143	0.7
482.31577	0.9
483.31732	3.2
533.54633	0.1
557.32147	0.4
557.44080	4.5
558.44586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59473	0.3
56.03846	0.3
61.98823	12.6
62.89080	0.3
65.80582	0.3
77.72044	0.3
78.95901	1.3
97.06585	0.4
97.47239	0.2
98.19733	0.6
99.08158	1.8
114.93382	0.4
129.09192	1.2
134.40356	0.3
139.11276	0.4
141.12823	2.4
152.99588	0.7
155.14421	1.0
163.77939	0.3
223.20699	0.4
239.19905	0.5
241.21695	1.3
267.19608	0.4
269.21179	21.3
270.21497	1.1
285.20663	2.2
287.22238	100.0
288.22534	5.2
303.19769	0.3
325.65152	0.3
336.25598	0.3
403.67432	0.3
472.34866	1.4
509.79007	0.4
557.33228	7.9
557.44128	89.8
558.33069	0.7
558.34680	0.6
558.44482	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	557.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59127	0.2
53.57156	0.2
59.01375	0.5
61.98513	0.4
61.98819	4.9
74.30831	0.2
77.98354	0.3
78.95895	2.3
83.05074	0.3
88.98798	0.5
96.95957	0.3
99.08138	2.1
103.58698	0.2
110.98508	0.8
129.09184	0.8
141.12830	2.7
155.14377	0.7
167.01134	1.8
167.02382	0.3
167.97839	0.3
207.00345	0.7
221.19051	0.6
223.20636	0.4
229.40089	0.4
239.20088	0.5
241.21696	1.1
269.21146	5.7
270.21613	0.5
277.21744	0.5
285.20685	2.0
287.22229	100.0
288.22549	5.1
303.97995	0.3
336.96234	0.3
467.21646	0.6
557.44122	76.1
558.44476	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	558.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
61.98824	100.0
71.62748	0.3
85.02902	0.3
87.00845	0.2
89.02472	0.2
101.02441	0.3
105.38077	0.2
108.95672	0.2
130.55956	0.2
135.04503	0.3
161.02493	0.4
337.20862	0.2
367.10669	0.3
559.24243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81003	0.3
59.01358	1.1
60.11218	0.3
61.98816	0.6
62.96393	0.5
69.41034	1.7
69.41440	0.5
78.95892	100.0
84.22821	0.3
89.28141	0.2
95.96193	0.6
96.95975	1.0
96.96947	13.1
100.04015	0.3
100.49451	0.3
122.02470	0.5
122.98524	2.1
124.04013	1.4
125.00052	0.4
136.03990	0.3
137.06038	0.5
140.01181	3.4
146.61888	0.3
148.04013	0.8
152.99565	24.4
161.02553	0.3
164.47244	0.3
166.25185	0.3
171.00612	43.2
172.00919	0.4
180.06639	3.3
197.02167	1.2
214.04823	7.8
260.03241	3.6
262.04697	2.2
302.04184	0.3
334.06906	25.8
335.07278	1.3
378.09296	1.8
395.46664	0.3
420.10556	0.6
468.82483	0.3
514.15106	0.5
526.14221	0.4
549.63422	0.3
558.17334	36.9
559.17603	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	558.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39010	0.3
61.98809	0.5
70.59071	0.3
71.08683	0.4
75.64362	0.3
78.03451	0.3
78.95895	19.4
96.96986	0.5
136.51315	0.3
152.99553	3.5
167.01151	0.4
168.04263	2.9
224.06885	7.8
242.07904	2.3
283.26382	100.0
284.26709	6.2
508.33994	77.6
508.49442	0.5
509.34262	6.3
558.28967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
68.38174	0.8
70.88210	1.9
80.67439	0.8
83.05026	1.3
83.26157	1.0
96.95965	0.9
111.04498	1.1
143.32426	0.8
155.03474	4.8
181.22372	0.8
210.54626	1.0
451.37833	1.2
517.39447	1.0
558.33716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85260	1.2
61.98825	100.0
84.34852	1.3
90.37061	1.2
99.10524	1.3
147.49420	1.2
185.28024	1.4
258.50717	1.5
369.33615	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	559.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.2
66.62438	0.2
67.28459	0.2
69.32027	0.5
69.32448	0.8
71.01369	0.4
78.95897	4.4
79.95728	2.7
85.02956	0.2
96.96002	100.0
96.96894	6.5
97.95944	0.3
98.95597	0.2
102.94129	0.1
113.02453	0.7
132.61035	0.2
135.04526	0.5
164.04742	0.2
170.81334	0.2
173.04485	0.2
184.17538	0.1
208.03789	0.3
223.06067	0.8
271.18192	0.1
461.16620	2.9
462.17062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94805	0.2
53.91294	0.2
55.14938	0.2
69.85392	0.9
70.79868	0.2
75.54073	0.2
78.95895	12.5
79.95733	2.5
96.96001	100.0
96.96922	21.9
100.57209	0.2
128.14598	0.2
139.01501	0.4
217.37599	0.2
299.24048	0.2
306.58823	0.2
323.43451	0.2
378.37378	0.2
397.08057	0.3
451.31018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95622	0.1
69.62028	0.9
71.01359	0.3
71.37270	0.1
78.95898	4.5
79.95731	2.3
85.02927	0.2
89.02409	0.3
95.01382	0.1
96.96001	100.0
96.96894	6.3
97.95943	0.2
98.95580	0.2
113.02439	0.6
131.92534	0.2
135.04506	0.7
157.09245	0.1
163.04018	0.1
216.31242	0.2
223.06007	0.2
253.37900	0.2
284.12485	0.1
337.05756	0.2
385.11795	0.2
408.68042	0.1
461.16580	2.6
499.11331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.2
69.77515	0.4
69.77941	0.5
78.95892	3.4
79.10830	0.1
79.95730	2.6
87.00838	0.1
91.36630	0.1
96.15368	0.1
96.96000	100.0
96.96890	5.5
97.95940	0.3
98.19973	0.3
98.20587	0.3
115.59824	0.2
141.54437	0.1
267.30579	0.2
306.46201	0.2
345.76144	0.2
554.25836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68030	0.4
57.03416	0.4
59.01367	2.5
69.92488	2.2
71.01378	4.1
78.95898	69.9
79.95734	1.5
85.02948	4.5
89.02441	2.5
89.02933	0.4
93.03448	1.1
95.01366	2.2
96.96004	58.8
96.96954	100.0
98.19927	0.5
101.02415	0.8
109.02984	0.7
113.02444	11.0
119.03507	0.8
135.04514	7.4
153.05511	0.6
161.04576	0.7
173.04535	1.8
191.05602	3.1
217.07216	0.4
223.06044	0.8
286.04074	0.4
294.66733	0.5
315.10922	1.0
452.30777	0.6
461.16592	49.1
462.16937	2.4
514.56079	0.5
559.14294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.8
61.98813	0.9
62.67204	0.7
65.03965	0.8
67.01882	5.3
68.99459	1.4
68.99810	18.0
69.03447	8.2
69.27760	6.5
69.85788	0.7
71.01369	1.9
87.00912	0.9
89.02441	3.8
95.01363	1.8
95.05019	4.6
98.20625	1.4
101.02430	55.4
102.02742	1.2
104.87043	0.7
111.00862	17.9
113.02444	1.0
113.15005	0.7
119.03485	1.1
121.02957	1.0
125.02434	2.8
127.04002	20.4
137.06075	4.4
139.00366	8.2
139.03973	7.3
143.03461	2.7
149.02377	1.3
151.65448	0.8
153.01947	2.0
153.09206	2.6
165.05559	1.0
171.02980	6.1
179.05571	1.5
179.07027	1.0
197.08115	2.9
199.13266	0.8
223.06104	3.9
259.09720	33.9
260.10077	2.2
291.08704	88.5
292.08948	4.2
329.10501	1.0
361.12866	100.0
362.13220	7.2
403.12381	1.3
520.89844	0.8
523.18121	20.9
524.18536	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	559.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37494	2.0
58.55099	1.8
59.01369	44.1
61.98824	8.9
67.01894	5.7
67.47929	1.9
68.99495	3.9
68.99862	13.6
69.03444	5.8
71.01360	19.6
71.01645	1.9
71.61127	3.2
72.99291	3.0
73.02927	2.6
76.54486	1.8
77.32121	2.3
78.95892	80.4
85.02922	5.6
87.00888	3.6
87.62572	1.8
89.02433	33.7
93.03459	4.7
95.01386	4.5
95.05008	7.7
96.96008	9.5
96.96943	21.6
101.02434	61.6
111.00856	24.8
112.98550	11.8
113.02443	15.7
119.03488	17.1
121.02938	7.9
123.04563	2.3
127.04019	16.0
131.03526	2.8
133.02924	10.4
134.03731	6.6
135.04510	32.2
135.52356	2.2
137.02420	6.4
137.06053	4.8
139.00374	10.1
139.03963	13.3
143.03491	6.8
149.02484	2.9
153.01920	5.2
161.02463	20.9
161.04518	5.4
163.03951	3.2
171.02925	6.4
173.04541	3.3
173.26143	2.3
177.05586	2.5
178.02644	10.9
179.03487	27.6
179.05571	12.1
180.03847	2.4
223.06062	2.6
225.13564	1.9
259.09689	48.1
266.26108	2.0
276.85861	2.1
291.08682	100.0
292.09024	5.1
361.12860	78.5
362.13184	5.9
403.12393	3.5
474.11487	3.1
499.28830	7.1
501.77853	2.1
523.18091	65.5
524.18420	9.1
542.64618	5.4
556.10278	2.3
559.23816	8.8
588.12885	6.2
589.13330	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	559.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16557	3.5
57.03439	7.3
59.01371	59.2
61.78011	3.7
61.98817	14.3
68.99792	4.0
69.22832	30.0
69.23245	12.6
71.00394	3.5
71.01369	24.0
73.02920	7.1
80.71523	3.4
85.02927	5.5
87.00840	10.8
89.02430	21.9
93.03451	12.0
96.95998	35.2
98.20650	6.9
98.95569	10.1
99.04514	25.6
101.02452	18.1
111.89399	4.7
113.02405	6.5
113.99559	7.2
119.03498	9.2
119.05003	9.3
125.02439	7.9
128.13678	3.4
133.02914	6.7
135.04512	18.8
137.02419	6.9
137.06013	7.1
141.09178	9.9
145.02914	16.7
146.51161	3.5
153.08028	7.2
153.09186	94.2
161.02451	22.0
163.03915	6.2
164.04146	4.3
171.10310	5.1
173.04527	18.8
179.03474	10.4
179.05592	4.8
185.08148	6.1
187.03943	7.7
197.08170	100.0
203.03401	10.0
213.07614	5.0
215.09215	68.1
223.06027	5.0
248.66388	3.9
343.13904	8.5
559.26068	32.5
559.34778	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	559.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
57.40567	0.4
59.01374	3.6
60.99297	0.4
64.63862	0.4
66.30827	0.4
67.01883	4.2
69.03451	0.8
71.01383	4.4
71.61301	0.4
78.40465	0.5
81.03442	0.7
83.05016	1.1
85.02954	1.1
89.02444	1.5
90.23136	0.4
93.03447	26.8
98.76842	0.4
99.00854	0.5
101.02460	0.7
103.55619	0.4
109.02902	0.7
111.00915	0.7
111.04521	4.5
113.02433	1.0
119.03483	0.9
135.04425	0.5
135.11792	1.1
137.02405	4.4
155.03485	5.2
156.04987	0.4
161.09645	2.4
173.04526	100.0
174.04877	2.5
179.05626	0.4
179.10759	6.3
201.39758	0.4
223.09735	5.7
243.89560	0.4
379.14136	1.0
385.15076	1.0
397.14987	6.6
398.15384	0.5
452.62964	0.5
470.97687	0.4
536.94147	0.4
559.20215	19.3
560.20435	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	559.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.0
63.92494	0.5
65.03956	0.6
67.01879	4.8
69.03433	1.3
71.01366	4.6
76.19737	0.5
81.03442	0.5
83.05020	0.8
85.65420	0.6
88.55811	0.6
89.02427	1.6
93.03448	25.6
101.02409	0.8
111.00824	1.0
111.04498	4.8
113.02431	1.4
119.03506	1.0
128.03534	0.7
130.25871	0.6
135.11736	1.3
136.79561	0.6
137.02426	4.3
146.04414	0.6
155.03500	4.3
161.09724	2.5
166.49377	0.5
173.04521	100.0
174.04799	2.3
179.10750	6.7
188.98198	0.5
223.09737	5.3
272.10223	0.6
368.56918	0.7
379.14008	1.6
385.15085	1.8
397.14932	6.1
511.25735	0.6
559.20148	17.0
560.20331	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	559.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
58.15738	0.3
59.01366	1.1
61.98801	0.6
62.87474	0.3
70.60472	0.7
70.60870	0.6
73.02937	6.5
75.00869	1.6
88.98802	0.9
92.95952	0.4
98.20475	0.4
99.00857	2.5
99.92567	10.1
100.92557	0.7
116.92841	100.0
116.97221	4.2
117.01917	12.1
117.05558	1.5
117.92825	2.8
137.00673	0.3
277.21680	0.8
287.22217	0.7
288.22574	1.0
324.62372	0.3
348.32410	0.3
364.15698	0.3
466.35809	0.3
499.25189	0.4
558.44446	1.0
559.36353	1.8
559.44434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19779	1.3
55.01869	4.1
57.03434	4.8
58.00589	2.4
59.01373	57.6
61.98819	10.3
69.03439	4.4
71.01372	100.0
71.61652	2.3
72.99302	4.6
73.02934	21.9
75.00853	2.3
75.30393	1.4
78.95886	2.6
81.03445	2.9
82.95408	2.3
83.01373	10.1
83.05008	3.3
84.95106	1.4
85.02936	32.1
87.00867	6.3
89.02431	62.0
95.01374	5.1
96.96008	4.6
97.02940	5.9
97.44153	1.2
99.00863	10.2
99.52062	1.2
100.07690	1.3
101.02430	50.8
103.82452	1.1
109.44851	1.3
111.00885	2.3
113.02442	34.0
117.03435	1.8
119.03480	6.1
119.05022	2.7
121.02946	1.5
125.02432	16.9
131.03488	15.7
133.02957	1.7
135.04535	2.6
143.03476	5.8
145.02959	3.1
149.04543	47.9
149.09666	8.8
159.02965	4.0
161.02408	3.1
161.04529	50.9
163.04007	2.4
165.01918	1.7
171.80504	1.3
179.03416	1.8
191.05576	9.0
205.12369	1.2
205.15941	22.0
212.31094	1.2
233.06526	3.4
257.81918	1.5
275.07599	1.3
293.08734	55.1
294.09073	2.8
300.93457	1.3
361.12796	2.0
367.21198	10.9
499.25363	54.9
500.25690	5.1
559.26135	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	559.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11840	0.1
53.63261	0.1
55.01873	0.4
56.75580	0.1
57.03436	0.5
58.00584	1.2
58.03473	0.1
59.01372	15.3
59.82946	0.1
61.98815	0.4
63.68940	0.1
66.72485	0.1
69.03463	0.3
69.41893	0.8
71.01372	15.4
72.01717	0.2
72.99298	1.3
73.02933	2.8
73.67748	0.1
75.00860	0.2
81.03465	0.1
83.01382	0.7
83.05021	0.1
84.02145	0.1
85.02423	0.2
85.02940	3.8
87.00868	0.7
89.02431	9.6
90.02795	0.1
93.03486	0.1
95.01374	1.4
95.04964	0.1
97.02972	0.1
97.06609	0.2
99.00861	0.6
101.02430	6.1
106.04222	0.1
107.05052	0.1
111.00935	0.1
111.08107	0.2
113.02433	7.2
113.06052	0.2
116.92830	0.2
119.03592	3.6
119.05007	19.3
120.05299	0.5
125.02428	0.2
125.06071	0.3
127.07647	0.3
127.11266	0.2
128.84489	0.1
131.03461	0.4
137.06065	1.9
139.07623	0.4
141.09142	0.1
143.03490	0.6
146.51630	0.1
149.04535	0.2
161.04561	1.0
179.05600	1.2
183.94464	0.1
205.19551	0.3
221.08107	0.1
233.22725	0.3
255.21140	0.3
259.20480	0.5
261.22128	0.2
263.23529	0.2
273.22205	1.5
274.22418	0.1
275.20084	0.2
277.21664	100.0
278.22015	5.4
281.10257	5.2
282.10541	0.2
287.23718	0.1
289.21738	0.2
291.23245	13.2
292.23517	0.7
299.11304	3.8
300.11755	0.1
301.21640	1.5
303.23187	0.1
314.28540	0.1
319.22693	2.9
320.22925	0.3
331.22681	0.4
335.22153	0.2
349.23825	0.4
373.23828	0.2
379.24924	0.2
453.33347	0.1
555.72028	0.1
559.28510	0.2
559.36792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	1.6
59.01377	10.9
61.98805	2.2
69.45069	2.3
69.45495	6.2
71.05009	4.6
72.99303	1.2
75.00877	1.1
96.45830	1.0
96.95942	1.0
122.78507	1.0
126.61811	1.0
168.12520	1.1
209.60342	0.9
265.14218	1.3
316.74158	1.1
356.66824	1.1
455.31342	2.5
467.31479	1.3
469.33118	6.4
485.32632	17.8
486.32996	2.4
487.34225	100.0
488.34549	9.6
531.33258	11.1
532.33795	1.3
559.32367	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	559.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	2.0
59.01374	11.5
61.98825	1.8
69.85162	3.0
71.01352	1.0
71.05009	2.7
73.02940	1.0
82.22423	0.8
85.02945	0.8
88.04012	2.1
96.96004	1.6
99.46344	0.8
101.02437	1.1
105.73723	0.8
110.80056	0.8
110.94798	0.8
119.05085	1.0
120.96943	0.7
125.09698	1.9
130.08749	1.2
137.06046	2.5
146.06091	1.5
187.09760	1.5
188.94225	0.8
190.04948	1.0
211.10858	0.8
409.30960	1.0
425.30295	1.3
437.31174	1.0
455.31610	4.2
467.31366	1.9
469.33240	7.4
485.32602	17.0
486.32803	2.4
487.34216	100.0
488.34726	9.3
499.33008	1.1
513.26831	1.4
527.24213	1.4
531.33075	10.3
532.33282	1.1
559.26428	10.9
559.33771	1.1
560.26965	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	560.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65106	0.3
58.39653	0.3
59.01367	1.7
61.55698	0.2
61.98823	100.0
71.01381	0.5
75.24993	0.3
77.42039	0.2
85.02962	0.4
93.03458	0.3
101.02455	0.7
111.00871	0.7
111.04463	0.3
111.89378	0.3
113.02441	0.5
119.05035	0.4
127.04031	0.6
133.02966	0.3
139.00388	0.4
161.02461	0.6
182.55338	0.3
197.08154	0.4
237.97444	0.3
243.14989	0.3
264.72235	0.2
288.62750	0.2
337.09329	1.2
345.09891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93705	1.0
53.74301	0.8
53.92714	0.9
54.14915	0.8
57.03440	1.2
59.01373	32.1
59.93800	0.9
65.03957	1.1
67.01889	1.9
69.03450	11.6
71.01371	17.9
71.46822	0.8
71.61468	1.6
72.99303	1.5
73.02944	1.6
77.19718	0.9
78.95903	1.1
81.03462	2.3
83.01385	1.4
85.02950	9.2
87.00867	3.4
89.02433	13.4
89.28112	1.0
91.05520	2.0
93.03461	6.5
95.01360	2.8
95.05023	3.7
96.96000	3.9
97.17649	0.9
99.00862	1.2
101.02433	8.1
107.05016	24.4
107.42467	0.9
109.02917	5.4
109.06582	4.0
111.00892	2.9
111.04508	3.1
111.28786	0.8
112.04058	1.0
113.02438	12.6
117.03442	1.2
117.53081	1.2
119.03514	5.7
119.05009	18.2
121.02943	6.7
123.04578	2.2
127.00330	1.4
131.03503	1.3
133.01413	0.9
133.02943	19.2
135.04510	9.1
137.02466	3.2
137.06061	100.0
138.06412	3.0
139.00333	1.6
139.03976	4.1
145.02913	1.6
149.06113	1.1
151.03978	2.7
153.05548	1.7
155.07152	1.6
155.10745	2.5
161.02425	60.4
161.04567	3.1
162.02728	2.1
163.03990	13.0
173.04543	1.4
175.03972	1.2
177.01776	1.1
179.03467	2.9
179.05579	3.3
181.03413	1.2
181.05031	23.5
181.06871	1.4
181.07167	1.2
190.08746	1.3
191.09125	1.1
195.10277	1.3
199.06067	3.9
199.09804	3.3
207.02957	22.6
221.06490	1.5
225.03912	1.3
233.08130	2.6
239.09259	8.2
283.09686	1.3
301.10785	19.5
319.11926	3.8
345.09763	18.5
346.10004	1.8
361.15115	1.7
363.10785	24.7
364.11389	1.1
405.10278	1.5
525.15997	22.6
526.16669	1.4
529.15564	26.7
530.16302	1.8
543.17505	1.2
546.75977	1.2
561.20313	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78408	0.5
52.93595	0.5
55.01860	0.6
57.03446	0.7
58.00588	0.4
59.01374	14.6
59.98039	0.4
65.26747	0.4
65.65574	0.4
67.01880	0.5
68.96736	0.4
68.99811	1.6
69.91307	0.4
71.01376	18.8
72.99311	1.6
73.02937	2.7
73.24421	0.5
75.00861	0.7
75.84166	0.4
78.95928	0.4
79.44842	0.4
80.36620	0.4
83.01367	0.8
85.02927	2.7
87.00868	32.2
89.02464	1.2
95.01390	0.6
96.96032	1.0
99.00887	1.8
101.02429	3.2
111.00872	1.7
112.98827	0.8
113.02448	3.1
115.00362	62.4
116.00722	0.7
119.03500	0.7
121.02992	0.4
127.00318	0.9
129.01941	1.0
131.03506	1.3
133.02956	8.6
135.04514	1.4
137.06067	1.0
137.46391	0.4
139.00323	0.6
141.01941	1.6
157.01407	0.6
159.03008	1.1
161.02429	33.7
161.04549	0.9
162.02805	0.8
173.04514	0.4
175.02458	100.0
176.02802	1.5
179.03493	1.2
192.30472	0.5
221.06468	0.7
367.12564	0.6
501.12415	1.1
529.15594	17.2
530.15717	1.6
561.14490	38.1
562.14807	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1599
Annotation	Rhamnellaflavoside A
Peak:m/z	Relative Intensity
50.01929	0.8
50.45050	0.7
59.01370	14.7
61.98811	2.1
71.01376	6.9
71.61284	1.2
73.02927	2.5
78.95887	1.8
85.02928	2.3
89.02445	5.1
93.03436	1.0
96.95994	5.6
98.67172	0.8
99.00853	1.0
101.02457	4.1
113.02410	3.4
117.03453	2.5
119.03456	1.0
119.05039	4.1
119.05766	0.8
128.03517	4.7
132.01199	1.4
132.02155	22.7
133.02965	5.4
134.03726	30.2
135.04509	1.5
137.02463	1.0
137.06050	2.9
145.02988	0.9
149.04509	0.9
149.06059	3.4
152.99605	2.2
158.03682	1.2
160.01637	100.0
161.02342	8.6
161.04572	0.9
163.03983	1.8
163.55830	0.8
172.02469	1.0
173.04575	1.2
173.05997	1.4
175.03978	89.5
176.04312	3.1
178.02643	1.0
179.03426	2.1
193.05022	47.2
194.05434	1.3
207.07748	1.0
211.13248	1.6
217.04904	2.2
294.53961	0.8
334.60788	0.9
498.19305	0.9
501.23260	2.5
501.30487	2.3
517.17053	88.9
518.17340	7.9
529.15393	1.1
561.20886	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	561.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42819	0.3
54.29601	0.3
55.01841	0.4
55.22060	0.3
56.56782	0.3
57.03435	0.4
59.01376	5.5
61.65879	0.3
62.39515	0.3
67.41344	0.3
69.90595	1.3
71.01373	5.1
72.13042	0.3
73.02945	2.0
83.01398	0.5
85.02944	3.8
86.00092	0.4
87.00883	1.5
89.02439	1.1
95.01376	0.7
99.00890	0.8
101.02426	2.8
103.04005	0.8
105.03415	0.5
111.00870	1.1
113.02453	2.5
117.03465	1.1
131.03471	1.7
132.02147	1.2
133.02943	24.3
134.03642	0.3
135.04532	3.3
139.03935	0.3
141.15883	0.3
143.03471	0.5
161.02426	100.0
161.04585	2.8
162.02744	2.4
173.04538	1.4
179.03481	1.1
206.92149	0.3
221.06662	1.4
367.12399	2.1
529.15533	42.9
530.15900	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	561.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95218	0.3
55.01859	0.6
55.77644	0.3
57.03432	0.9
59.01375	11.6
60.49149	0.3
61.98825	3.2
68.99556	3.6
69.39236	0.7
69.39644	2.2
71.01382	6.9
72.99300	3.2
73.02951	1.8
83.01379	0.9
85.02946	3.2
87.00873	1.2
89.02433	6.1
92.89909	0.3
95.01392	0.6
97.02967	0.8
98.20622	0.7
99.00883	1.1
101.02438	5.0
103.05546	2.1
103.48298	0.3
112.98566	2.7
113.02438	4.2
119.03535	2.2
119.05002	5.2
121.02931	0.5
125.02459	0.6
129.01933	0.4
130.99039	0.4
131.03503	0.7
134.03740	0.7
135.04532	0.5
136.79828	0.3
137.06078	1.3
143.03476	0.4
144.84961	0.4
145.02936	0.4
147.04510	100.0
148.04852	2.2
160.01595	0.6
161.02408	1.3
161.04587	0.9
163.04027	0.7
171.42924	0.3
173.04533	0.8
175.03981	0.6
179.03381	0.5
179.05623	1.2
193.05046	0.9
202.08667	0.6
215.03558	0.4
233.06674	1.4
265.07333	0.4
286.88333	0.3
299.11334	1.4
339.12347	0.8
351.15518	0.4
413.14465	22.1
414.14682	1.7
501.17545	2.3
501.30014	0.4
519.18317	0.8
561.18909	0.4
562.19385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91030	0.8
58.02971	0.9
59.01374	100.0
61.98811	1.2
64.93960	0.8
71.01359	3.4
71.60966	0.9
71.61348	1.0
82.02989	1.6
84.04539	6.8
85.02931	0.8
88.98809	8.5
89.02422	3.3
96.96003	1.6
98.76228	0.8
99.05648	1.1
101.02412	1.9
101.06570	1.4
101.07185	14.1
102.03432	1.8
109.05941	0.9
113.02411	1.3
113.97601	0.8
119.03513	1.0
119.04996	2.5
123.63406	0.9
128.03519	1.3
131.23851	0.8
134.06145	4.8
135.04457	1.9
137.06062	14.3
144.04489	1.7
145.06168	6.3
146.06108	2.4
149.06102	1.9
150.05533	1.7
161.02429	1.5
161.04776	1.1
161.06039	1.1
162.05606	4.7
164.07115	2.4
174.09195	2.6
176.07127	8.1
177.05522	1.4
178.05067	9.7
178.08676	3.9
179.03505	1.8
179.05704	1.0
179.07114	4.0
180.06529	0.9
186.09192	4.4
188.07129	1.3
190.05002	1.3
192.06551	1.6
197.63936	1.0
200.07140	1.2
202.08714	2.3
204.10222	2.4
206.04584	1.0
208.09746	3.6
213.06596	1.1
213.81229	0.8
216.06635	1.0
217.09691	1.3
218.11880	1.2
220.06142	1.6
220.09706	1.7
229.05971	0.9
229.09756	8.0
230.08099	3.1
245.09261	10.4
246.09906	1.8
247.10841	9.0
248.09242	1.2
255.07704	1.0
261.12384	11.4
263.10306	2.3
266.09418	1.0
273.08786	3.1
278.10266	1.9
279.13461	4.0
287.10318	1.3
289.11890	1.3
291.09824	2.9
293.15128	2.5
305.11411	9.1
313.10721	1.0
321.14474	2.5
323.12451	2.1
337.14008	33.6
338.14188	2.6
350.13724	2.6
353.17151	6.0
355.15103	7.1
355.81305	0.9
365.13531	2.7
368.14804	1.5
379.14728	1.0
393.14526	5.1
397.16052	30.4
398.16199	2.6
411.15567	6.1
425.16953	2.4
443.18201	2.8
453.16425	1.1
517.22028	1.4
561.20764	38.9
562.20966	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	561.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01370	5.4
67.01884	5.4
69.03445	1.5
70.90696	1.2
71.01371	9.0
73.02936	3.3
81.03435	1.1
83.01370	0.6
83.05036	1.4
85.02943	3.4
85.03402	0.5
89.02435	2.5
93.03448	31.8
94.03742	0.6
95.05019	1.6
96.95988	7.9
97.02948	1.5
101.02418	6.0
109.02917	0.7
111.00870	1.4
111.04520	5.0
113.02431	3.4
116.67858	0.7
123.04462	0.6
127.03996	1.0
131.03470	2.4
133.02858	0.7
135.04509	1.7
137.02455	6.9
143.03452	1.4
149.06116	1.0
154.99902	1.7
155.03479	7.0
155.10751	0.7
161.02428	1.9
161.04536	2.7
163.11249	2.7
173.04517	100.0
174.04875	1.4
179.03484	0.9
181.12323	5.9
191.05594	1.3
205.12314	0.9
207.10260	0.7
217.12297	1.5
225.11292	30.7
226.11696	1.6
249.11261	3.0
261.11218	2.3
267.12305	0.7
279.12360	1.2
297.13351	3.0
338.40948	0.6
361.18512	3.3
381.15524	5.2
387.16556	5.0
399.16498	19.2
400.17065	1.1
441.17548	1.1
471.18625	16.3
472.18716	0.9
501.19797	1.0
525.19812	0.7
561.21802	32.7
562.22205	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	561.2183
Annotation	Kunzeaphlogin D
Peak:m/z	Relative Intensity
57.03427	1.4
58.00584	0.7
59.01372	24.1
59.01674	1.2
59.26929	0.6
59.67395	0.6
60.01706	0.7
60.99297	0.7
66.06731	0.5
67.01883	5.5
69.03450	1.0
71.01376	20.2
71.86171	0.5
72.99278	1.3
73.02932	2.9
81.03453	1.1
83.01381	0.6
83.05026	1.1
85.02940	3.5
89.02435	25.2
89.02991	1.4
93.03445	36.1
95.05027	1.2
96.95998	1.6
98.19885	0.9
99.00909	1.3
99.04510	0.7
101.02436	11.1
108.67915	0.7
109.02942	1.1
111.00902	1.1
111.04509	7.1
113.02445	5.0
119.03457	1.3
120.46123	0.6
131.03477	7.0
137.02419	5.6
143.03461	0.7
149.04544	15.5
155.03484	6.4
161.04546	1.5
161.13333	2.3
161.59103	0.5
163.11243	2.2
173.04521	100.0
174.04903	2.1
179.05579	0.7
181.12314	9.0
187.11276	4.1
188.36156	0.7
191.05580	9.8
205.12315	4.2
225.11288	52.1
226.11633	2.4
229.12283	1.1
229.58984	0.6
249.11305	4.0
251.07770	0.7
311.09863	0.8
340.16977	0.6
355.17618	1.5
376.00409	0.6
381.10938	1.1
381.15479	10.9
382.15771	1.2
387.16522	7.4
399.16525	31.3
400.17035	2.0
466.34790	0.6
481.73959	0.7
561.21796	32.0
562.22235	2.5
569.84558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
57.03449	1.0
58.00586	3.4
59.01372	79.6
63.59240	0.7
64.93674	0.6
69.39206	5.8
71.01375	63.1
72.01715	0.7
72.99295	2.5
73.02938	11.3
77.99017	0.6
83.01376	2.1
85.02943	10.1
87.00878	2.0
89.02435	100.0
89.40079	0.6
90.02795	0.8
93.03445	6.3
96.96032	1.1
99.00858	1.9
99.04512	0.8
101.02434	51.1
111.04512	0.8
113.02441	10.6
119.03477	7.7
125.02451	1.8
131.03493	27.6
137.02359	1.1
143.03482	3.0
149.04538	86.2
150.04897	1.7
155.03410	1.5
161.02435	0.8
161.04495	3.8
163.11339	0.9
173.04524	19.3
179.03490	0.8
181.12331	0.9
184.05745	0.7
191.05582	16.7
225.11281	7.5
251.07617	1.2
293.08875	1.9
307.69223	0.7
311.09827	4.1
387.16586	0.9
399.16260	3.9
468.96634	0.6
471.19055	1.5
561.21722	7.3
562.22253	0.8
584.51050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52909	0.5
50.56855	0.5
55.01875	0.7
57.03437	0.9
58.00582	2.0
59.01371	60.5
61.98816	1.4
67.43555	0.5
69.03450	0.9
69.44889	4.5
70.88451	0.5
71.01374	44.3
72.99300	2.0
73.02939	17.4
83.01366	1.1
85.02943	6.7
87.00866	0.9
89.02432	100.0
90.02776	0.7
96.95999	1.7
97.02921	1.5
99.00867	28.5
101.02430	43.5
102.02803	0.7
109.56018	0.5
113.02439	8.1
115.03993	1.1
119.03484	3.7
125.02452	3.2
131.03479	17.9
133.02898	0.6
134.03700	0.6
135.04494	0.7
137.09708	2.3
143.03455	4.6
149.04535	87.4
150.04871	1.5
161.04507	5.4
173.04576	1.7
191.05592	17.5
193.05003	1.1
221.06642	10.9
251.07689	8.0
263.07733	0.7
275.07681	1.1
281.08771	1.0
293.08804	5.0
311.09714	7.7
378.66156	0.8
503.88605	0.6
519.15723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85085	0.4
59.01385	2.4
71.01373	0.9
71.73405	0.5
78.88516	0.5
98.19884	0.9
98.20572	1.6
99.04510	2.8
113.06039	1.1
141.05586	3.0
153.09193	73.7
154.09503	2.5
169.08691	0.5
173.96667	0.4
189.10565	0.4
197.08162	100.0
198.08469	3.0
201.11263	1.2
225.11317	0.6
262.00665	0.6
401.56339	0.6
561.25378	9.5
562.26184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03436	1.9
58.00584	1.5
59.01373	33.2
61.98825	15.0
67.01872	1.7
69.03444	2.2
71.01376	36.6
72.99334	1.5
73.02943	6.0
74.02443	0.9
75.00861	1.5
83.01373	4.3
84.02158	29.5
85.02950	11.5
87.00872	6.8
87.04530	1.1
88.98801	2.5
89.02437	18.7
90.41103	1.0
93.03451	8.8
95.01373	1.5
96.96008	7.9
97.02960	2.2
99.00858	3.9
99.04477	1.0
101.02439	14.3
104.03510	1.0
108.02185	1.1
109.02925	1.0
111.00882	1.8
111.04568	0.9
112.98537	1.7
113.02438	8.6
117.03513	1.3
119.03479	2.5
119.04978	4.6
122.03732	1.8
123.04491	2.5
124.01681	1.0
125.02406	5.8
131.03517	4.3
133.02962	1.8
134.03799	0.9
135.04558	5.0
137.02435	2.6
143.03479	2.5
145.02942	3.0
146.08173	1.0
149.04552	4.8
149.99571	1.1
150.03197	0.9
151.04070	0.9
152.01134	1.4
155.03450	1.0
161.02440	6.7
161.04546	4.0
163.03992	4.0
168.00639	1.3
173.04526	30.4
177.12860	1.2
179.03484	2.7
179.10846	1.3
181.12328	1.0
187.11115	1.7
189.12788	0.9
191.05583	2.4
205.12254	1.5
206.11870	2.7
207.13869	69.6
208.14259	4.2
217.05016	1.2
225.11337	2.8
232.13274	1.1
233.06625	1.1
250.14449	2.1
275.13919	1.2
278.10202	1.5
279.15955	1.8
293.08813	4.5
309.31921	0.8
339.25555	2.9
369.19144	15.8
370.19617	1.7
393.16437	1.1
399.16528	21.1
400.17145	1.5
475.29114	1.2
501.23395	100.0
501.30350	6.7
502.23706	7.7
531.23297	3.1
555.09564	0.9
561.24609	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	561.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12106	1.2
59.01373	100.0
61.98825	4.2
71.01370	16.2
71.61942	1.2
71.62363	1.1
73.02943	13.9
83.01389	3.2
85.02938	3.2
87.00893	1.7
87.04503	1.1
89.02420	7.5
96.96017	2.8
101.02433	15.4
113.02433	5.7
119.03504	1.5
130.06592	3.3
135.04561	1.2
137.06100	0.9
144.04561	1.3
146.06096	1.6
149.04469	1.2
161.02386	1.1
161.04556	3.1
164.56468	0.9
174.05586	3.0
187.31696	1.0
190.05112	3.2
191.14369	0.9
214.39760	1.0
220.76357	0.9
231.79243	0.9
271.81729	1.0
275.00659	0.9
311.23798	2.4
355.22763	5.9
399.21387	1.9
441.28317	1.7
457.27951	1.8
459.29538	2.9
475.28983	3.1
499.29123	4.3
517.30109	82.2
518.30518	6.6
561.29285	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	561.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.5
55.27888	1.1
57.03444	1.6
59.01371	100.0
61.98819	3.7
71.01371	16.2
72.99288	1.4
73.02935	14.6
75.00880	1.2
83.01378	2.9
85.02931	4.1
87.00839	1.3
89.02428	6.0
90.49232	1.4
101.02428	12.4
113.02417	5.1
119.03479	3.9
130.06598	2.8
131.03589	1.5
135.04492	1.2
157.39270	1.4
161.04504	1.1
174.05560	1.4
190.05026	3.1
250.89137	1.2
311.23773	2.9
355.22754	4.8
399.21576	2.1
425.60504	1.4
441.28445	3.3
457.27652	1.5
459.29407	4.9
475.29092	2.7
499.28995	5.4
517.30103	86.9
518.30139	9.1
561.29218	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	562.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70234	0.5
56.38945	0.5
57.20247	0.5
59.01373	100.0
61.98819	1.4
62.52264	0.6
71.01376	2.2
81.03455	0.9
84.04536	3.3
85.02948	1.6
89.02435	1.6
93.03445	0.8
100.04040	2.3
101.02427	0.9
102.05592	12.2
106.04254	1.5
107.04996	1.5
113.02448	1.3
115.12484	0.5
116.05075	0.9
119.03501	0.6
119.05055	3.5
123.04595	0.5
128.03531	1.7
130.06740	0.6
132.02145	2.4
133.02931	1.0
134.03714	2.1
135.04492	1.6
137.02509	0.6
137.06062	30.7
138.06442	1.1
142.05661	0.5
142.06599	3.1
144.04584	1.4
146.04570	3.9
146.06041	1.1
147.04420	0.6
149.05006	0.7
149.06004	3.1
158.06148	0.5
160.01636	9.9
160.03981	1.1
160.07687	1.0
161.02417	1.5
161.04788	4.6
162.05566	5.2
163.03969	1.4
163.11203	0.5
164.07149	0.5
170.06071	1.7
171.94113	0.5
174.05603	1.7
175.03995	11.1
176.07135	6.0
177.05551	2.0
178.05081	2.4
179.03426	0.8
179.07170	0.7
184.07669	1.2
186.05588	1.6
186.09224	6.1
187.06360	1.6
188.03568	1.2
188.07155	1.3
190.05083	1.3
193.05014	2.1
194.08266	0.9
200.07132	0.9
202.04980	0.8
202.08690	19.0
204.10266	0.6
205.03752	2.4
206.04514	5.2
208.09761	1.2
212.07170	0.6
216.06598	0.7
218.11772	2.1
220.06142	9.1
220.09639	2.6
230.08206	8.2
232.24570	0.6
234.11336	2.2
236.09271	0.9
238.07300	0.9
244.09737	2.3
246.07668	1.6
248.09241	0.6
262.10797	7.7
264.08813	0.9
274.06897	1.0
278.10443	0.9
280.08206	1.8
288.08759	0.7
294.13516	2.1
295.08139	2.8
306.09787	4.9
323.24197	0.6
326.10239	7.3
327.10788	0.6
336.14551	1.0
338.12497	4.6
340.11826	2.0
341.10193	1.3
346.57291	0.7
350.13879	3.7
354.15652	0.7
366.11938	1.1
368.11270	2.4
380.13593	2.7
398.14496	4.9
399.14313	0.6
400.13943	4.1
426.15671	1.2
444.16531	1.4
472.15479	3.7
472.65875	1.0
486.17551	3.6
518.12543	1.2
518.20258	17.9
519.20477	2.0
544.18262	0.8
562.19159	52.4
563.25946	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	563.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72287	0.6
59.01088	1.1
59.01371	17.0
66.58350	0.5
66.63641	0.6
71.01365	2.5
73.02942	2.1
74.73359	0.5
83.01401	0.7
85.02985	0.8
89.02456	1.3
93.03448	1.6
96.95995	0.8
101.02431	1.7
113.02455	1.1
117.03464	1.7
119.04985	5.2
121.02954	1.1
122.02484	0.7
123.04528	1.4
132.02164	2.5
133.02934	37.9
134.03595	1.1
135.04501	19.2
139.27272	0.6
145.02916	3.0
145.06184	0.7
145.61583	0.5
148.04060	1.1
150.05560	1.5
153.05522	1.0
161.02420	100.0
162.02786	2.5
163.03976	6.3
164.07172	1.0
166.05063	0.7
173.04677	0.6
177.05499	1.1
178.05052	1.0
179.03482	9.5
180.06618	1.9
191.07089	1.1
195.06561	5.6
225.38936	0.6
235.06113	1.6
239.61180	0.5
263.10315	1.3
268.03748	3.1
269.04489	16.6
269.07159	1.1
270.04852	0.7
295.08237	2.5
315.10892	1.2
326.11624	0.7
329.13895	1.0
337.09271	1.9
341.14011	0.8
357.12454	0.7
367.10529	3.0
397.11398	2.1
401.16025	3.0
477.14182	1.1
479.13629	0.6
498.01904	0.6
519.14978	66.7
520.15265	5.1
563.12756	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	563.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01373	8.9
69.52718	5.6
71.01376	8.3
72.99289	1.8
73.02927	3.5
83.01369	2.1
85.02950	4.0
87.00867	35.5
89.02462	4.5
90.73827	0.7
92.57054	0.7
95.01360	1.8
98.19858	1.1
99.00876	6.2
101.02433	3.3
109.02969	1.0
110.90122	0.8
111.00874	7.5
112.98804	6.3
113.02434	2.4
115.00333	1.2
119.03409	1.0
123.00862	2.5
129.01920	2.1
138.03212	4.6
142.99875	5.2
145.01422	1.6
147.02954	1.7
149.02460	1.2
151.00322	1.2
151.03989	1.0
153.05565	7.0
161.02435	7.2
163.03975	2.2
164.04739	5.8
166.02666	3.0
166.12117	0.8
173.00880	17.8
174.01675	4.9
175.03886	1.4
176.04742	6.1
177.01897	0.9
178.06340	2.6
179.03503	9.7
179.05664	1.6
179.07083	16.6
181.05061	3.8
190.02673	1.3
191.01903	2.5
191.03506	3.1
191.05560	2.2
191.07146	2.6
192.04282	1.5
193.05037	1.1
193.08664	5.6
194.05803	15.5
195.06485	0.7
199.03757	1.0
203.03479	2.6
205.05003	1.5
206.05746	3.1
207.06702	1.0
209.08163	23.4
219.03015	2.2
219.06674	1.1
221.08159	1.8
222.05321	1.0
223.05974	1.1
231.02905	2.2
233.04517	0.9
234.05275	3.0
235.06129	1.3
237.07684	1.7
246.05316	2.0
247.02478	1.7
249.03865	1.1
249.07704	4.7
250.04849	1.1
261.04108	1.9
261.07556	1.7
262.04739	4.2
263.05273	0.7
264.06311	3.3
265.07153	26.0
266.07410	1.6
276.06284	2.1
277.07166	9.9
291.08725	1.8
325.09332	1.6
337.09265	10.1
383.09781	2.4
427.12439	12.6
428.12592	1.3
439.12509	1.2
487.14258	1.8
563.16107	100.0
564.16461	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	563.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
59.01361	2.5
61.24178	0.7
68.99805	0.9
70.99817	1.0
71.00155	0.8
71.01380	5.9
73.02940	3.2
82.33502	0.6
83.01357	1.7
85.02942	4.4
87.00863	22.9
89.02432	1.5
90.80226	0.6
95.01365	3.7
96.95982	0.9
97.02947	0.7
99.00883	5.3
101.02425	2.6
110.78468	0.7
111.00874	3.8
112.98802	5.8
113.02438	1.4
115.00272	1.1
115.71317	0.6
123.00894	5.4
124.01644	1.1
129.01918	1.5
138.03194	4.5
142.99837	4.4
145.01430	2.0
147.02870	0.7
150.03175	0.7
151.00294	1.4
153.05592	4.8
161.02393	5.8
163.03935	4.8
164.04733	2.7
165.05510	1.3
166.00412	0.6
166.02695	3.5
173.00894	25.6
173.02281	0.9
174.01689	6.7
174.03149	1.2
175.03979	2.3
176.04781	5.9
177.01875	1.3
177.05371	0.7
178.06314	6.7
179.03511	7.5
179.05032	0.9
179.05606	1.2
179.07069	8.2
181.05013	4.3
188.04762	0.9
189.05481	1.0
190.02699	1.5
190.06348	0.8
191.03450	5.9
191.05299	1.1
191.07094	3.1
192.04315	1.1
193.04964	0.9
193.08685	9.5
194.05800	10.1
194.08838	0.7
195.06464	0.6
200.13464	0.7
202.02667	1.0
203.03531	3.4
203.07132	0.7
204.04227	1.3
205.04984	3.3
206.05833	4.8
207.06509	1.5
209.08163	15.3
218.05824	2.2
219.02989	3.3
219.06592	1.8
221.08211	5.8
229.01419	1.5
233.04488	0.9
233.08061	1.2
234.05283	3.4
236.06831	1.2
237.07579	1.2
246.05293	0.9
247.02385	4.7
247.06097	1.0
249.07681	6.3
250.05038	0.9
261.04034	3.1
262.04810	9.4
265.07132	10.6
276.06393	3.8
276.31302	0.7
277.07135	25.8
278.07550	1.0
279.08731	1.0
291.08731	1.5
295.08063	1.0
309.09924	0.9
325.09250	1.2
335.06039	1.0
337.05203	1.6
337.09232	27.2
338.09488	0.9
383.09662	2.8
424.69727	0.7
427.12314	2.0
439.12167	1.6
457.13516	1.2
485.61240	0.7
487.13931	1.0
503.15649	0.8
535.12689	0.8
563.16095	100.0
564.16620	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	563.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95726	0.8
57.03425	3.4
58.00566	1.0
59.01371	43.1
66.88554	0.8
67.63181	0.7
69.52972	4.1
69.53380	1.9
71.01374	24.7
72.99297	2.6
73.02923	1.9
83.01369	3.6
85.02954	7.0
87.00859	11.8
88.98782	1.2
89.02437	20.1
95.01359	2.2
96.95995	1.2
99.00874	13.3
101.02428	10.3
106.69676	0.8
111.00854	5.1
112.98794	32.8
113.02413	8.1
115.00375	2.0
119.03487	6.3
123.00859	2.5
127.00336	0.9
129.01921	1.7
131.03502	0.9
140.48404	0.9
142.99838	27.3
143.03484	1.0
145.01416	4.8
149.02420	0.8
153.05505	1.3
161.02379	1.6
161.04546	1.8
163.03957	3.3
165.05484	1.8
166.02663	2.9
173.00883	32.8
174.01688	21.5
175.03944	2.0
176.04716	1.8
178.06317	1.3
179.05624	8.1
181.05022	3.1
187.03976	1.3
190.02560	0.9
191.03586	1.7
191.05341	0.9
191.07050	1.8
193.05045	4.1
193.08603	1.9
203.03436	3.3
205.05020	1.6
206.05719	1.1
219.02887	1.8
231.02890	4.1
233.08189	1.6
234.05219	1.2
236.47017	0.8
243.02861	1.6
246.05249	5.8
247.02403	4.0
249.07611	1.7
261.07620	3.7
262.04724	4.5
273.07501	1.0
277.07095	6.6
293.05176	1.0
321.09750	2.7
337.09232	3.1
339.10754	1.5
563.16077	100.0
564.16486	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	563.162
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43857	0.3
59.01373	3.7
71.01395	2.3
71.60655	0.5
72.99290	0.7
73.02930	0.9
80.69164	0.4
85.02932	6.2
87.00865	2.4
89.02441	2.1
93.03448	2.2
101.02430	1.6
109.02947	0.5
111.04515	1.0
113.02439	0.9
115.00375	0.6
117.01920	1.3
127.03993	1.3
129.01894	0.5
133.01375	0.6
133.02922	0.8
135.04497	1.8
161.02386	2.8
171.02972	0.4
173.04547	1.8
179.03392	2.2
191.05580	100.0
192.05846	2.3
212.27052	0.4
221.03065	0.9
221.06657	1.3
260.60895	0.4
353.08704	16.2
354.08899	0.9
421.70663	0.4
463.73993	0.5
519.17517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1742
Annotation	Dracunculifoside H
Peak:m/z	Relative Intensity
54.38413	0.4
55.01867	0.5
55.57344	0.4
55.69349	0.4
58.44360	0.4
59.01370	4.0
61.98819	0.8
62.27485	0.4
68.94972	0.4
69.75221	2.1
71.01381	5.8
73.02944	2.5
83.01389	1.0
85.02941	2.4
86.14756	0.4
89.02432	1.7
91.05544	0.8
98.20670	0.9
99.00867	1.1
101.02431	3.9
107.05044	2.2
113.02438	1.8
113.44884	0.4
117.03476	1.3
119.05035	0.4
121.06584	0.6
125.95023	0.4
132.02153	1.5
133.02945	19.2
134.03746	8.3
135.04514	100.0
136.04819	2.4
137.06000	0.6
145.02887	0.5
151.07629	0.5
159.03107	0.5
161.02432	48.5
161.04594	1.8
162.02721	1.2
179.03481	63.4
180.03851	1.8
204.67241	0.6
269.10294	0.8
313.12930	0.6
346.39990	0.4
377.14569	0.5
389.14398	1.0
401.14633	0.5
425.27969	0.4
467.17474	0.5
497.20132	1.8
509.20248	2.8
527.20953	1.5
541.44830	0.5
553.76978	0.5
563.17609	68.9
564.17798	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	563.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
59.01375	3.3
61.98826	0.5
63.02291	0.2
69.03442	0.3
71.01379	3.8
71.65193	0.2
73.02940	2.4
76.64342	0.3
77.03931	0.3
83.01389	0.9
85.02944	2.3
87.00874	0.4
89.02440	1.2
89.03982	0.7
91.05527	0.5
93.03495	0.4
95.01377	0.3
96.75801	0.3
97.46691	0.3
99.00877	0.6
101.02441	3.4
105.03459	0.3
107.05019	2.2
113.02424	2.0
115.01867	0.3
117.03461	1.4
119.05029	0.6
125.02420	0.3
131.03490	0.3
132.02190	0.9
133.02943	18.1
134.03757	7.4
135.04510	100.0
136.04863	2.9
137.02446	0.4
139.83871	0.3
145.02934	0.7
147.04593	0.3
159.03049	0.4
161.02425	49.6
161.04572	1.4
162.02788	1.5
163.04010	1.2
173.04645	0.3
179.03476	62.4
180.03847	1.6
191.07135	0.3
197.08211	0.5
229.60869	0.4
231.22855	0.3
232.07053	0.2
269.10413	0.3
295.08145	0.3
337.09283	0.5
367.10358	0.6
397.11230	0.4
401.15295	0.9
563.17615	66.1
564.17896	7.6
564.26184	0.5
567.04480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22842	0.3
57.03443	0.7
59.01366	1.4
59.36006	0.3
59.40141	0.3
60.99295	0.9
67.01885	5.2
69.03450	1.1
70.05533	0.3
70.45309	0.9
71.01374	3.5
81.03442	1.1
83.05021	0.8
85.02940	0.8
93.03449	29.3
94.03794	0.6
99.00894	0.3
109.02966	0.7
111.00872	0.6
111.04518	4.7
112.63707	0.3
113.02458	0.3
121.02953	0.6
122.03745	0.7
127.03992	0.7
133.02953	0.6
134.03740	5.9
135.04599	0.5
137.02429	4.7
137.12505	0.3
139.04010	0.4
144.72581	0.3
149.02451	1.2
149.06012	1.5
150.03206	5.4
155.03471	3.9
157.21962	0.3
165.05566	5.2
173.04526	100.0
174.04793	2.0
178.02701	3.5
180.04288	0.5
182.92110	0.3
191.05661	0.5
193.05031	9.9
194.05345	0.5
195.06595	3.4
196.75194	0.4
254.79155	0.3
282.08835	0.3
329.90668	0.3
341.10223	0.8
353.06711	0.5
354.74869	0.3
389.12341	1.3
438.58078	0.4
522.54297	0.3
563.18231	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	563.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
57.20312	0.3
59.01371	1.7
59.31520	0.3
60.02883	0.2
60.99296	1.0
60.99614	0.2
67.01881	4.9
69.03439	1.1
69.36757	2.4
69.37147	0.6
71.01371	3.1
73.02993	0.3
81.03448	1.1
83.05020	0.8
85.02947	0.7
87.00889	1.6
93.03445	31.0
94.03770	0.5
99.04515	0.3
109.02934	1.0
111.00853	0.8
111.04506	4.4
113.02432	0.5
121.02948	1.3
122.03692	0.5
123.60155	0.3
127.03962	0.4
134.03734	4.1
137.02426	4.8
137.06050	0.5
149.02423	2.0
149.06067	1.1
150.03209	4.5
155.03481	4.3
165.05540	5.0
173.04520	100.0
174.04855	2.5
178.02690	2.2
191.05592	1.2
193.05017	7.4
194.05475	0.4
195.06606	3.6
195.12692	0.3
236.26643	0.3
250.06215	0.4
267.06473	0.4
282.08936	0.9
341.10242	3.7
389.12128	1.3
390.12662	0.4
428.92935	0.3
454.70590	0.3
563.17609	6.4
564.18219	0.7
568.05682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.4
62.60088	1.0
67.01887	3.5
69.89594	4.9
71.01360	2.6
81.03413	1.5
81.52850	0.9
83.05018	3.3
87.00887	1.3
93.03445	20.4
109.02956	1.4
111.04528	6.5
112.44917	1.0
115.33640	1.1
121.02939	13.6
122.03778	6.4
133.02959	2.4
134.03725	52.5
135.04034	1.2
137.02431	9.6
139.03954	1.4
149.02428	20.9
149.06049	12.1
150.03209	51.4
151.03532	1.2
155.03516	8.0
164.04764	3.3
165.05554	54.5
166.05852	1.8
173.04521	58.1
174.04858	1.4
178.02702	25.3
180.04227	2.9
193.05035	100.0
194.05371	3.5
194.23918	1.1
195.06599	37.1
196.06966	1.2
233.05930	1.1
239.07050	4.1
250.06326	3.5
267.06552	3.9
282.08975	13.5
323.11066	1.6
341.10251	42.2
342.10474	2.9
353.12344	1.7
389.12387	28.9
390.12775	1.7
563.17621	25.3
564.18188	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
57.03434	1.9
58.00581	1.6
59.01372	100.0
65.72613	1.8
71.01378	44.3
72.99276	2.2
73.02938	34.0
83.01392	10.1
85.02929	12.7
89.02428	21.0
95.01373	6.6
96.95998	4.5
98.19836	4.0
99.00863	6.8
101.02437	36.0
104.10869	1.6
111.00861	5.1
113.02436	25.3
119.03557	8.3
119.05009	25.5
120.05338	1.6
123.00892	1.9
123.09660	1.5
125.02404	1.6
129.01900	1.6
131.03502	2.9
135.04512	24.6
137.06088	11.0
141.01927	20.2
143.03510	4.0
149.04512	1.7
159.02960	3.9
159.04221	1.6
161.04517	12.7
179.05679	1.9
191.05547	8.7
220.75417	1.8
253.76546	1.6
261.07764	2.0
281.10272	41.5
282.10587	1.9
297.09735	7.0
299.11343	26.4
315.10825	16.4
341.12357	76.7
342.12735	4.0
357.11856	53.7
358.11948	2.1
379.47571	1.7
519.16797	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	563.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65901	0.5
53.32467	0.5
57.03434	1.1
59.01371	100.0
61.98822	5.0
66.03487	1.0
67.01907	0.6
71.01374	2.0
71.61765	1.1
73.02954	0.6
85.02943	1.3
89.02470	0.8
92.05018	0.8
93.03473	0.7
94.02977	0.8
96.96008	1.0
98.02494	0.7
100.04053	0.7
101.02446	2.2
107.05006	0.8
109.01667	0.6
111.00845	0.8
113.02420	1.4
115.25602	0.5
116.05050	29.7
117.03399	0.6
118.06667	0.6
119.04997	2.2
120.04543	1.1
121.02934	0.9
123.04509	4.4
124.01642	0.9
124.04014	5.5
125.02445	5.4
126.05626	0.8
133.02931	2.5
134.03716	2.2
134.06154	1.1
135.04510	6.9
136.04846	0.9
137.02441	1.6
137.06094	1.9
138.05588	0.9
140.05014	0.6
141.04549	1.5
142.06602	52.5
143.06021	1.1
143.06984	1.7
144.04561	1.1
145.02916	1.9
146.06067	3.8
148.04057	1.1
149.06056	7.8
149.99562	1.3
150.05580	2.4
152.05057	0.9
152.07164	2.1
153.05551	1.7
154.05368	3.5
156.08263	1.0
157.07771	0.7
159.04539	0.6
160.07677	0.7
161.02426	3.9
161.04642	1.0
162.05632	2.7
163.03967	1.6
164.07097	2.8
166.06599	1.0
167.06131	1.8
168.00688	3.2
168.08154	6.6
169.01414	2.6
173.04623	0.8
176.07121	6.2
178.02710	2.5
178.06509	2.8
178.08696	3.9
179.03467	6.3
179.05843	0.8
180.03813	0.7
184.07658	1.6
186.09242	1.4
187.04063	0.8
191.03485	0.7
192.06485	0.9
192.10341	0.8
193.05104	0.6
194.08229	5.6
195.06593	68.6
196.07045	2.2
196.09644	0.8
203.03458	0.6
203.08200	1.0
205.07745	0.8
208.06134	1.0
209.06996	0.6
217.07678	0.8
219.09256	4.0
220.07709	1.4
222.07838	0.7
223.06075	1.1
224.24088	0.6
225.11328	1.4
231.09288	0.9
232.06326	1.0
232.09985	0.7
245.10794	2.1
247.08705	10.1
248.09088	1.1
251.08139	4.9
257.07162	0.6
258.08072	1.6
263.11856	1.0
265.09744	1.3
271.08606	0.8
272.09570	0.8
273.10245	8.5
275.08493	0.6
276.09125	0.6
279.11325	6.6
289.13306	1.3
291.11407	1.5
305.12921	19.8
306.13248	1.6
307.14444	0.5
321.16080	1.0
323.13956	93.4
324.14352	5.4
327.21689	0.8
353.09052	0.7
365.14844	0.7
383.16095	2.9
414.09961	1.2
445.72144	0.6
459.29605	2.8
477.30399	0.7
501.20398	0.8
545.19171	1.0
563.20221	27.2
563.29773	1.3
564.20557	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	563.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01373	100.0
60.01714	1.3
61.98815	5.7
69.03455	5.2
71.01374	16.5
71.62663	0.8
71.63071	1.1
72.99334	1.0
73.02922	4.3
83.01391	0.9
85.02946	4.8
87.00876	1.1
89.02430	12.0
93.03477	1.4
95.01394	1.5
97.02998	0.8
99.00878	3.1
101.02429	7.3
111.01007	0.7
113.02438	7.1
119.03517	3.0
119.05019	1.3
121.02850	0.9
122.16257	0.7
123.04511	0.8
125.02409	1.8
132.02119	3.6
133.02911	5.3
134.03746	7.2
135.04582	5.7
136.01675	3.3
137.02501	1.2
139.11314	1.1
145.02954	1.7
149.04602	2.2
149.06090	1.7
151.03978	4.2
153.02028	0.8
156.55736	0.8
159.03014	1.1
160.01636	14.8
161.02437	12.5
161.04491	5.4
162.02817	0.9
163.04008	1.0
163.11305	0.8
173.04573	2.2
175.03976	16.1
176.04514	0.8
179.03516	2.4
190.06371	1.3
191.14316	0.9
193.04990	5.6
207.10260	1.8
209.15594	2.0
235.06235	1.7
248.37730	0.8
293.08908	1.3
296.10696	1.0
311.13068	1.1
321.97711	0.8
326.11600	2.0
341.13876	50.1
342.14240	4.4
371.20908	1.0
379.02960	0.9
387.16559	19.9
388.17316	1.3
472.65948	4.4
473.16217	2.2
503.24976	21.1
504.25751	1.4
527.26007	0.9
563.21753	18.9
564.22632	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	563.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83849	1.9
55.01862	2.5
56.34017	2.0
56.68364	1.9
57.03440	3.3
59.01370	71.5
60.01686	2.6
61.98819	23.6
62.77982	2.3
64.65822	2.0
69.50897	14.6
70.31026	1.7
71.01374	22.6
73.02924	6.2
74.84829	2.4
83.01379	3.8
83.05005	3.0
85.02932	9.7
87.00853	5.9
89.02431	9.8
93.03442	6.3
95.05012	3.6
97.43418	2.0
99.00872	2.9
99.04482	3.2
101.02428	14.3
102.05576	2.5
102.99300	2.1
106.04259	12.7
107.05016	65.1
108.02189	2.8
111.00899	2.0
113.02444	10.1
115.51399	1.9
119.05011	7.0
123.04497	8.9
129.01842	2.1
131.05089	2.4
133.02953	28.8
135.04488	7.6
137.06075	9.4
138.03154	2.2
138.06383	2.3
141.05565	1.9
145.52953	2.1
147.04491	9.3
149.04576	3.1
151.03989	33.5
153.05516	3.1
159.02931	3.1
161.04553	7.9
161.06039	5.0
161.09673	9.2
161.13326	18.4
165.05539	34.8
173.04469	8.1
175.02492	4.2
175.03981	78.0
179.03429	5.2
187.11256	12.7
189.09206	10.2
193.05035	39.0
202.08717	3.1
203.08917	2.7
205.05016	6.5
205.12305	34.4
207.10298	4.2
220.06166	2.3
223.06004	10.5
223.13322	4.7
235.06148	4.8
249.11267	49.8
250.11368	2.9
253.07108	25.7
267.12402	5.0
313.09775	2.9
313.18167	2.9
371.20593	4.8
400.78317	1.9
409.15088	2.7
411.16394	4.4
417.17648	7.8
488.96164	1.8
503.25015	10.7
519.21625	14.1
563.21075	100.0
564.13580	2.2
564.21234	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	563.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34952	2.1
56.18407	2.4
57.03437	3.7
59.01372	83.8
59.82466	2.2
60.01687	3.7
61.98823	33.6
68.04012	2.6
71.01372	29.7
71.61655	3.6
73.02924	6.3
79.05510	2.5
83.01367	6.2
83.04983	3.8
85.02941	14.6
86.23389	2.1
87.00846	8.8
89.02443	17.1
93.03442	9.6
95.01362	3.8
97.06573	2.9
99.04496	3.2
101.02422	21.6
102.43366	2.5
106.04250	11.8
107.05027	65.3
108.02148	2.5
112.98598	3.8
113.02442	13.2
118.27099	2.2
119.03504	3.9
119.04987	7.8
123.04498	13.0
131.03439	2.7
131.04999	2.7
131.34218	2.6
133.02943	30.2
135.04506	10.5
137.06061	6.2
141.01917	5.1
143.03494	2.2
147.04509	11.6
148.04839	3.1
149.04660	5.7
149.06003	3.0
151.04012	34.0
153.05579	7.1
159.02968	5.8
161.02457	11.2
161.04578	5.7
161.06064	5.6
161.09695	12.7
161.13333	15.3
163.04095	2.6
165.05569	28.6
173.04552	23.9
175.03973	69.5
179.03416	7.8
179.05684	2.4
183.10234	2.8
185.06059	2.9
187.11287	16.5
189.09146	9.6
191.05647	2.3
193.05045	35.1
193.70781	2.3
205.04979	8.1
205.12309	33.4
207.10143	3.7
221.06583	2.8
223.06021	9.4
223.13341	8.6
243.12300	6.3
249.11308	41.0
253.07161	17.3
267.12338	8.8
282.03143	2.5
301.92847	2.3
313.09378	2.9
371.20618	7.0
411.16797	4.3
417.17657	21.3
503.24905	24.2
519.21729	12.4
563.21143	100.0
564.21552	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	563.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	0.6
57.03440	1.3
59.01373	17.3
61.98821	5.4
67.48514	0.6
69.03405	0.6
69.24495	3.7
69.24919	2.2
71.01369	10.4
72.99292	0.9
73.02928	1.1
79.95734	0.7
83.01389	0.7
84.62952	0.6
85.02939	4.7
87.00862	1.1
89.02438	7.2
94.98088	1.6
95.01383	0.8
96.96003	1.7
99.00872	0.9
101.02442	4.9
105.03453	0.6
110.58212	0.5
113.02423	4.9
117.03454	1.8
119.03474	2.0
119.05009	3.6
123.04523	0.9
132.02158	15.3
133.02954	11.7
134.03735	17.4
135.04510	4.7
137.02428	1.2
137.06062	1.8
145.02957	2.0
147.04420	0.7
149.04558	1.0
149.06055	2.6
151.31343	0.6
153.05519	0.9
160.01634	74.3
161.02420	19.7
161.04417	1.0
162.02802	3.6
163.02814	0.8
163.04018	2.4
174.05501	0.7
175.03972	82.6
176.04370	2.8
177.01978	0.8
178.02718	0.6
179.03450	5.5
182.54576	0.7
189.12837	3.7
190.05095	1.3
191.07162	1.2
191.14406	0.6
192.06657	1.6
193.05013	16.1
194.05382	1.1
205.04926	0.7
207.13812	0.9
218.04504	0.8
221.04535	1.1
235.06018	3.5
236.05678	0.7
253.05032	1.2
254.05283	0.6
268.07358	0.7
278.06653	4.1
284.16519	0.6
294.08945	0.7
295.08218	1.2
337.09259	1.7
457.16287	0.7
472.15323	3.3
472.65604	15.7
473.15872	6.1
473.66046	2.0
503.24933	2.6
503.32013	1.2
563.24860	100.0
564.17743	1.0
564.25305	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	563.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
57.03431	3.4
58.00580	2.0
59.01371	100.0
60.01692	1.1
60.19014	1.1
61.98818	26.9
69.03444	3.5
69.07764	1.2
69.80470	4.8
71.01372	61.0
72.99284	3.9
73.02940	12.6
78.95884	2.0
82.95358	1.2
83.01375	5.6
85.02943	18.3
87.00847	4.1
89.02435	70.6
90.02782	1.1
91.58014	1.1
93.03456	1.4
95.01354	3.7
96.96014	1.4
99.00867	4.2
100.64005	1.1
101.02430	41.7
102.02763	1.5
105.05603	1.2
113.02441	22.5
119.03481	13.6
119.05016	2.7
120.43972	1.2
123.04559	1.5
125.02422	3.3
127.03971	2.0
131.03484	18.6
133.02971	4.1
134.03674	2.3
135.04500	9.1
136.01656	1.8
136.04770	1.3
136.42929	1.4
137.06032	1.5
143.03474	3.7
145.02968	2.1
149.04541	64.7
151.03973	2.7
159.02989	2.4
160.01680	1.5
161.02498	8.8
161.04549	11.7
165.12772	1.4
173.04440	1.5
175.04019	2.0
179.03485	7.8
179.05591	4.6
186.16570	1.2
188.03377	1.7
191.05565	10.5
191.14417	2.0
203.49579	1.2
251.07658	2.4
293.08752	3.6
311.09702	4.9
327.21664	3.7
341.13895	19.5
371.20688	27.3
387.16486	1.9
399.63419	4.0
405.61386	1.8
412.62506	2.7
503.24918	63.3
504.25208	4.6
541.68280	4.9
542.18475	1.9
582.13995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
55.97918	1.5
57.03406	1.6
58.42700	1.4
59.01373	100.0
61.98518	2.7
61.98824	47.2
68.99554	2.8
69.03440	2.6
70.70821	6.2
71.01375	53.3
72.99288	2.2
73.02937	13.8
81.03458	1.7
82.95404	3.1
83.01369	7.6
85.02941	23.8
87.00878	6.6
89.02436	21.1
93.03456	13.3
95.01357	3.4
96.95978	5.8
97.02922	2.2
98.78237	1.7
99.00858	6.1
101.02427	27.4
107.04997	7.4
111.00878	1.9
112.98545	2.4
113.02422	22.4
119.03451	5.5
119.05010	8.0
125.02408	3.0
131.03514	2.9
133.02924	2.5
134.03694	2.1
135.04451	4.7
137.02426	9.3
139.11244	3.2
143.03442	3.1
145.02948	3.7
149.04527	4.2
151.03963	4.0
155.03529	2.1
159.02982	2.6
161.02373	4.4
161.04559	13.4
163.03989	5.9
173.04530	1.8
175.03983	2.9
175.25751	1.6
177.39799	1.6
179.03391	3.3
181.12273	1.8
183.10225	4.1
187.03847	1.7
191.05441	2.1
191.14476	1.8
205.06891	3.0
221.05913	1.6
230.04565	1.7
235.07913	2.4
236.08185	3.2
243.12285	4.1
249.11223	1.8
315.17990	5.3
357.18936	2.2
371.20660	18.6
375.15182	4.5
399.16531	13.6
417.17386	3.5
429.24579	2.4
459.29398	7.2
461.23859	37.0
462.23782	2.7
471.25815	1.8
477.30469	3.0
503.24887	65.6
504.24933	6.2
526.33966	1.9
563.21411	19.0
563.29675	3.6
564.11078	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34607	0.7
55.01860	2.6
57.03425	2.6
58.00565	2.4
59.01371	65.0
61.98822	0.9
67.09196	0.9
69.71551	4.8
70.27596	0.7
71.01371	58.5
72.99291	2.2
73.02934	12.3
78.95874	1.1
83.01381	4.4
85.02939	15.8
87.00851	2.6
89.02431	78.0
90.02760	0.9
93.03431	1.8
94.20918	0.9
95.01367	2.8
96.95970	2.2
97.02918	1.5
99.00874	5.0
101.02428	52.3
113.02441	17.4
119.03484	15.1
125.02407	3.1
131.03477	27.4
133.02914	1.3
137.02470	0.9
143.03421	4.6
149.04529	100.0
150.04790	1.8
159.02879	1.2
161.02490	3.8
161.04538	7.2
173.04533	5.3
174.04825	1.0
175.03761	0.8
175.05081	1.3
179.05594	6.5
188.02049	0.7
191.03946	1.2
191.05583	15.2
202.87772	0.8
221.06529	1.6
251.07693	3.4
281.08679	1.1
293.08603	1.7
297.26535	0.8
311.09741	7.4
337.27112	1.0
371.20752	7.1
389.17896	1.0
473.19232	0.9
503.24863	13.4
504.24432	1.2
519.15021	2.0
563.22375	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83756	1.0
55.01861	2.9
57.03429	3.4
58.00574	2.4
59.01371	100.0
60.01713	1.2
61.98821	27.3
69.03424	2.4
71.01374	68.7
72.99289	2.9
73.02938	15.1
78.95901	1.8
81.03435	1.8
83.01369	5.0
85.02942	18.0
87.00861	2.9
89.02434	64.8
89.60652	0.9
90.02752	1.2
93.03431	1.0
95.01382	4.1
95.05010	1.6
97.02917	2.5
99.00861	4.6
101.02429	48.6
102.02766	1.1
111.00903	1.0
113.02428	24.0
119.03495	11.4
119.04990	2.0
125.02408	3.1
131.03479	20.8
133.02916	3.5
134.03708	1.8
135.04500	7.5
136.01631	1.5
137.06082	1.1
143.03461	2.3
144.04544	1.5
145.02940	2.8
149.04533	58.6
150.04825	1.6
151.03925	1.8
159.03076	2.1
160.01544	1.1
161.02423	9.1
161.04541	14.2
163.03992	1.4
165.12761	1.2
171.10287	1.4
175.03973	2.6
179.03532	6.2
179.05569	4.8
188.03542	2.1
191.05576	7.9
191.14268	1.9
209.15398	2.2
251.07680	1.5
271.27109	1.1
274.03802	1.0
293.08820	3.6
311.09741	3.3
315.04547	1.4
327.21692	4.0
341.13873	23.5
342.13998	1.3
371.20715	24.3
372.20865	2.6
387.16650	2.3
405.61386	1.8
412.62418	3.2
445.28616	1.0
503.24905	66.9
504.25269	5.6
541.68402	5.6
542.18903	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03439	4.6
58.00579	2.5
59.01374	77.2
61.98520	1.5
61.98826	23.0
69.03454	1.7
69.80089	7.0
69.82899	1.2
71.01375	52.6
72.99300	3.4
73.02926	11.0
78.95893	1.5
82.95399	2.1
83.01397	7.0
83.05016	1.9
85.02492	2.3
85.02946	20.3
87.00876	5.7
87.99021	1.1
89.02434	35.1
89.28008	1.2
92.43579	1.3
95.01375	5.0
96.95999	3.2
97.02977	1.4
98.20522	2.1
99.00890	7.1
101.02431	35.8
107.05013	25.2
113.02432	21.3
119.03492	10.5
119.05016	1.9
123.04543	2.3
125.02437	2.5
129.01886	1.4
131.03503	4.0
133.02928	5.8
135.04532	2.8
143.03493	2.8
145.02907	2.4
149.04549	7.2
151.04005	9.3
154.41440	1.3
159.02983	3.3
161.02382	4.3
161.04549	11.8
161.09695	4.1
161.13353	4.2
163.03998	2.2
165.05527	4.6
175.03958	10.2
179.03528	3.5
179.05653	3.0
187.11183	5.3
189.09149	2.9
191.05611	1.8
193.05066	6.7
205.12360	6.4
207.10243	1.3
223.13307	3.3
231.10384	1.8
249.11276	11.9
267.12567	1.4
371.20700	49.8
372.21277	2.0
459.29489	7.1
477.31122	2.5
503.24893	100.0
504.24884	7.6
519.21899	1.7
563.21161	35.1
564.21204	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.4
56.30716	1.1
57.03443	1.8
57.91170	1.1
58.00575	1.9
59.01374	71.5
61.98819	15.9
67.17805	1.1
69.03446	1.8
71.01373	56.2
71.61884	1.7
72.99295	2.3
73.02937	12.6
73.51398	1.1
83.01385	6.5
85.02941	20.7
87.00857	2.9
88.98799	3.4
89.02428	29.0
95.01372	3.0
96.95997	1.5
97.02958	2.4
99.00864	5.1
100.31997	1.3
101.02429	28.8
107.05016	5.6
111.00890	1.6
113.02425	23.7
119.03486	6.0
119.05006	2.0
125.02405	5.2
131.03479	5.2
135.02861	1.1
135.04468	3.6
143.03497	3.8
145.02888	2.7
149.04500	5.7
151.03958	2.3
159.02882	3.2
160.51956	1.1
161.02417	2.7
161.04549	21.6
163.04025	2.7
175.11229	4.6
178.25688	1.1
179.03432	3.5
179.05585	4.2
191.05595	1.7
191.14384	81.3
192.14700	3.4
209.15382	4.7
293.08868	3.3
315.25275	2.0
371.20685	47.8
372.21027	1.9
459.29648	12.5
477.30484	6.8
500.48193	1.5
503.24911	100.0
504.25360	6.8
548.62164	1.3
563.20935	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	563.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56280	1.7
55.01861	2.8
57.03444	4.3
58.00606	2.6
59.01371	80.0
59.01670	4.0
61.98819	2.8
69.03447	3.8
69.75693	9.6
71.01372	63.3
73.02938	25.6
80.02550	2.2
83.01362	4.8
84.16248	1.8
85.02931	15.8
87.00854	3.3
89.02431	89.4
93.03469	2.3
96.96011	7.3
99.00872	34.9
101.02432	50.6
111.00819	2.2
113.02442	17.6
117.03452	4.6
119.03503	4.8
119.04993	23.1
119.05752	2.1
121.02980	2.9
125.02435	7.5
126.35871	1.8
131.03503	14.6
133.02942	8.8
135.04498	6.1
136.83604	1.9
137.02452	2.1
143.03490	4.6
145.02960	19.4
149.04535	100.0
150.03079	2.0
151.03915	2.3
155.03616	2.2
161.02446	21.5
161.04561	8.5
161.05934	1.9
163.03976	31.7
173.04565	4.2
179.03401	4.1
189.05354	2.9
191.05580	17.0
191.07159	6.2
195.06628	6.7
205.05135	3.5
218.10893	2.1
218.77382	1.9
221.06619	11.7
224.04614	2.3
235.06035	10.0
251.07745	14.8
268.03708	19.9
269.04501	96.0
270.04800	5.8
275.07761	1.9
293.08755	4.3
295.08124	17.2
311.09753	8.6
329.13821	7.5
337.09171	9.2
341.13867	3.2
342.10675	2.1
367.10312	14.9
397.11252	6.9
401.15891	11.1
503.24875	52.2
504.25064	3.4
519.15295	12.4
563.13782	43.7
563.20801	3.0
564.14301	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	563.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12187	44.6
57.79405	38.3
58.23648	41.7
59.01369	59.5
59.54747	36.3
60.59251	42.0
61.98827	100.0
130.06842	40.3
177.79102	42.2
223.35306	43.6
277.21616	55.0
427.32349	43.7
471.34756	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03436	2.7
58.00586	1.9
59.01373	50.9
61.98824	9.7
71.01375	37.3
71.62081	1.1
72.99299	8.7
73.02944	13.0
75.00848	1.6
78.95870	1.1
79.05529	1.2
81.03449	2.1
83.01365	5.6
83.05045	1.6
85.02943	17.1
86.00094	1.8
87.00882	2.3
89.02434	14.8
95.01363	2.4
96.95950	1.8
97.02918	2.0
99.00858	4.3
99.04534	1.7
101.02435	27.7
103.04030	2.7
113.02446	11.6
119.03456	5.5
125.02419	2.7
143.03462	2.5
159.02875	1.3
161.02480	1.9
161.04536	8.3
161.13338	3.5
165.21248	1.2
179.05682	2.0
187.11227	10.1
205.12320	9.8
247.08142	1.5
323.13849	1.3
355.24695	2.4
357.22748	22.9
503.28540	100.0
504.28952	9.2
563.28528	6.6
572.66760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90987	0.7
59.01376	100.0
60.01697	1.1
61.98826	12.7
64.76292	0.6
71.01389	1.8
71.53353	0.8
75.00873	2.6
83.08795	0.7
88.98808	1.1
96.96023	1.3
106.04225	0.9
107.05047	0.8
119.05033	2.3
123.76359	0.6
128.66118	0.7
135.04483	0.7
137.06068	21.6
148.04359	3.4
149.06194	0.7
150.05562	0.9
160.04002	2.6
160.07689	0.8
161.02440	0.7
163.07664	0.9
174.05560	3.4
175.06311	1.3
176.07130	1.5
178.05156	1.6
184.07664	2.5
188.07059	0.9
192.06462	1.1
200.07069	0.7
201.07971	1.3
202.08746	1.8
206.08211	1.1
216.10246	4.9
242.08144	4.2
249.08194	2.6
250.09067	2.1
260.09204	1.9
264.10526	7.6
266.08295	0.8
280.00928	0.6
281.10864	1.0
290.08469	4.2
294.04617	0.6
294.07922	0.7
296.13327	2.2
297.33780	0.8
308.09525	4.9
322.11249	3.2
324.12814	0.9
326.10654	3.7
340.12186	26.7
350.10611	2.6
358.13110	1.9
368.11401	1.2
380.14655	0.8
382.13199	15.2
400.14127	3.8
428.15219	1.1
446.16299	2.7
564.19012	23.5
565.18982	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	564.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.9
60.01708	0.3
61.98821	100.0
71.01379	0.3
73.02950	0.3
73.88077	0.2
84.04578	0.3
89.02452	0.8
89.11682	0.2
91.99625	0.2
96.95992	0.3
98.20580	0.4
101.02432	0.6
113.02428	0.3
116.92854	0.2
119.05048	0.2
123.04488	0.3
125.59048	0.2
128.17979	0.2
133.02951	1.3
134.03285	0.4
135.04533	1.0
136.04831	0.2
137.02472	0.2
138.05646	0.3
148.04063	0.2
150.05664	0.3
153.05612	0.3
161.02423	3.3
162.02797	1.6
165.07457	0.2
173.04662	0.2
175.04033	0.2
178.05095	0.3
179.03520	0.5
180.03931	0.2
180.06702	0.2
195.06581	1.8
196.06941	1.0
220.09732	0.2
230.79869	0.2
245.09290	0.2
270.05008	0.2
300.72244	0.2
325.09213	0.4
372.11563	0.2
384.11746	0.5
520.15363	3.2
521.16101	0.3
564.19110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.4
61.98821	100.0
69.03443	1.1
71.01392	1.3
71.43163	0.2
71.62672	0.2
72.99306	0.9
73.02934	0.3
85.02930	0.4
88.77248	0.2
89.02429	1.2
95.05033	0.4
101.02448	0.5
109.02954	0.3
109.64838	0.2
113.02451	0.6
119.03510	0.3
121.02961	0.4
121.06627	0.2
123.04526	0.5
127.04053	0.2
132.02144	0.5
133.02966	1.7
134.03790	1.6
135.04475	1.3
136.04849	0.4
139.27457	0.2
149.04561	0.4
151.03954	0.4
160.01648	1.5
161.02425	5.0
161.04468	0.3
162.02773	2.0
163.04019	0.3
165.05530	0.3
175.03970	2.1
176.04768	0.3
178.02704	0.3
179.03491	1.4
189.05490	0.2
193.05032	1.7
197.04538	0.8
345.11774	0.3
357.13571	0.4
359.05383	0.3
359.09845	1.0
385.12708	0.5
403.13647	0.3
520.15448	2.2
521.16345	2.2
541.43811	0.3
564.17792	0.8
565.15100	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	564.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12691	0.2
53.13949	0.2
54.46370	0.2
59.01374	2.3
60.01701	0.3
61.98821	100.0
64.36371	0.2
69.19482	0.2
69.67385	1.4
71.01376	2.1
72.01697	0.2
73.02946	0.6
83.01371	0.3
85.02943	0.6
89.02422	1.6
91.02860	0.5
95.11395	0.2
98.19911	0.4
101.02413	1.6
102.02795	0.3
113.02451	0.6
119.03535	0.3
131.03476	0.7
132.03789	0.2
135.37770	0.3
149.04561	1.4
150.04814	0.4
151.05003	0.5
151.93752	0.3
161.02440	0.6
161.04492	0.3
191.05516	0.3
336.90402	0.2
371.20660	0.5
372.21088	0.9
504.25510	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	564.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35840	0.3
59.01371	35.9
61.98823	100.0
69.50729	1.3
69.51144	0.9
71.01378	1.1
73.74471	0.3
74.01195	0.3
84.04549	0.8
89.02455	0.6
93.03452	0.6
98.20715	0.4
100.04032	0.4
101.02435	1.5
102.05585	2.1
107.03754	0.3
107.05033	0.5
118.06632	0.5
119.05014	0.3
120.04539	1.1
122.02472	1.7
122.03223	0.3
123.04491	0.5
128.03532	0.7
131.03741	0.6
133.02945	2.6
134.03380	0.5
134.06081	0.5
135.03374	0.3
135.04497	2.3
142.06622	0.6
144.04546	0.6
145.05351	3.6
146.04578	1.8
146.06113	1.2
149.04680	0.5
149.06100	0.4
150.05583	3.3
152.07048	0.4
153.05554	0.4
158.06145	0.5
159.06812	0.4
160.07660	3.1
161.02415	6.2
162.02763	2.9
162.05579	1.1
162.09227	0.4
163.06372	0.5
164.04861	0.5
164.07156	2.4
165.05527	0.5
170.06087	0.4
173.04785	1.0
174.05528	0.6
176.07109	0.7
177.04262	0.4
177.05629	0.4
178.05061	1.9
178.08711	5.5
179.03470	1.4
179.05782	0.7
180.06667	3.7
186.05513	0.4
188.07158	3.2
194.08176	1.0
195.06599	15.6
196.07008	0.6
202.08737	3.8
202.40413	0.3
204.10286	0.6
206.04526	0.8
220.06375	0.4
220.09746	4.7
221.04568	0.5
222.07642	1.6
240.08679	1.3
246.07687	0.7
262.10861	0.8
264.08710	1.2
280.11884	0.7
284.93698	0.4
306.09680	0.6
324.10931	2.0
384.12836	0.6
418.99429	0.3
460.15869	0.9
504.14896	0.4
520.15198	3.5
529.19098	0.9
546.16309	0.4
563.35162	0.4
564.17078	13.7
565.17609	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	564.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61139	0.2
57.03461	0.2
57.85667	0.2
58.00579	0.3
59.01374	7.7
60.01704	0.7
60.95079	0.2
61.98822	100.0
69.82412	0.4
69.82830	0.6
71.01376	5.9
72.01723	0.8
72.99316	0.3
73.02934	0.9
83.01406	0.5
84.01699	0.2
85.02940	1.6
86.03286	0.2
87.00895	0.3
89.02434	6.9
90.02793	0.8
99.00880	0.2
101.02425	3.6
102.02763	0.6
113.02415	2.2
114.02828	0.4
119.03483	1.5
120.03817	0.2
125.02460	0.5
126.68523	0.2
131.03500	0.7
133.02997	0.2
135.04518	0.3
143.03490	0.4
149.04527	1.5
150.04904	0.4
161.02443	0.5
161.04523	0.9
162.04919	0.3
163.18117	0.2
179.03418	0.2
179.05580	1.3
180.05896	0.3
191.05624	0.3
195.06509	0.2
197.63972	0.2
217.10504	0.2
293.08817	0.3
294.09280	0.3
311.09589	0.2
371.20657	1.4
372.20978	3.8
373.21817	0.3
503.24921	0.8
504.25287	8.8
505.26126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98821	100.0
62.06007	0.2
69.34897	0.2
69.35200	2.0
75.00849	1.3
92.73211	0.2
96.96011	0.4
98.20682	0.5
219.13890	0.6
467.54419	0.2
471.31119	5.5
472.31729	0.9
488.34836	0.4
501.32138	10.5
502.32733	1.1
564.27734	0.4
565.80231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0476
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
50.67218	0.2
62.96408	0.4
68.91570	0.2
69.23870	1.6
69.24281	0.5
70.05971	0.2
77.17435	0.3
78.95894	100.0
90.80391	0.2
96.96034	4.5
96.96947	37.6
108.58070	0.3
111.01991	8.9
120.96939	1.7
138.98009	2.9
150.98009	3.2
152.70346	0.2
158.92522	15.3
161.43736	0.2
164.03545	0.3
168.99084	0.3
169.84373	0.2
174.97977	0.9
176.93582	1.5
192.99081	1.8
211.00085	5.0
241.01160	9.8
254.85292	0.4
259.02246	0.3
272.95688	5.6
280.02316	1.8
305.01740	0.8
320.97839	3.0
323.02795	62.1
324.03101	2.1
378.08719	0.3
384.98422	4.4
400.54001	0.3
402.99414	1.6
467.07822	0.4
565.04645	27.4
566.04718	1.9
577.44446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72745	0.3
55.01860	0.4
57.03432	0.3
59.01376	4.7
61.98825	2.0
64.08524	0.3
70.00593	0.6
70.00976	0.9
71.01376	5.4
73.02941	1.6
79.95731	2.9
83.01373	0.6
85.02939	2.4
89.02421	1.4
95.01394	0.4
96.96002	100.0
99.00905	0.6
101.02427	3.2
109.02892	0.3
111.00851	0.8
113.02414	1.5
118.97949	0.3
123.00828	0.7
124.01629	0.6
125.02446	0.6
127.00317	0.4
129.01906	0.3
134.03737	0.5
135.04565	0.4
139.00366	2.6
139.03999	0.6
151.00352	2.4
151.03963	0.5
152.01170	2.0
153.02037	0.7
153.09174	4.5
154.02707	0.3
160.01642	2.0
161.02092	0.4
161.04553	0.5
163.03987	0.8
163.07674	0.4
166.02695	7.4
167.03497	2.0
175.03949	1.7
176.04425	0.6
178.06317	0.5
179.03503	0.5
179.07094	0.8
180.04245	0.7
181.05042	9.9
190.06450	1.5
191.07135	1.8
193.05077	0.8
193.08694	0.5
194.05736	0.3
195.06670	1.0
197.08205	1.3
205.08617	0.8
205.12402	0.7
221.08220	0.4
223.13353	0.5
323.08600	0.4
355.11691	0.4
370.13858	0.4
373.12747	2.8
385.16833	0.5
388.15231	2.6
403.17554	30.4
404.17758	1.7
433.27887	2.8
461.31345	0.4
505.33780	0.9
529.26611	0.4
564.25433	0.7
565.25787	4.0
565.33130	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	565.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28407	2.6
59.01371	100.0
59.25381	2.5
60.41040	2.5
65.21684	2.4
68.99812	8.8
69.03445	14.6
71.01372	61.3
72.99313	3.9
73.02944	10.6
83.01379	6.3
85.02934	19.0
87.00858	4.7
89.02434	53.5
92.44124	2.1
93.03481	3.8
95.01390	4.0
98.19826	5.7
99.00872	5.2
101.02431	57.6
101.72679	2.1
103.04024	3.9
113.02437	33.3
119.03506	21.6
119.04989	14.8
121.02953	9.6
123.04517	3.4
127.03991	2.6
131.03490	3.9
135.04514	23.5
137.02354	3.8
137.06061	2.7
139.00339	3.1
143.03465	8.3
161.04549	8.6
163.06097	5.8
177.01950	6.7
179.03577	12.9
179.05588	29.3
195.02950	3.3
201.85646	2.4
205.06911	2.5
213.03963	3.0
223.06076	21.7
265.07126	4.3
281.10260	51.4
282.10806	3.9
299.11392	3.5
341.12396	12.4
403.12354	17.6
512.68872	2.5
529.15619	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	565.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
68.99809	13.3
69.03441	16.9
71.01374	76.3
73.02921	13.3
75.53256	4.8
83.01393	5.5
85.02934	24.3
87.00883	6.8
89.02442	75.6
95.04967	7.1
101.02436	74.6
113.02443	52.5
114.60047	5.4
116.82193	5.5
119.03508	24.1
119.05003	15.4
121.02932	14.9
127.03992	7.8
128.00180	5.0
135.04480	25.0
137.02390	7.7
141.38371	5.4
143.03363	6.8
143.28473	5.1
161.04466	13.5
163.06116	10.4
179.03580	6.7
179.05595	39.2
221.06683	8.8
223.06093	25.6
264.46475	5.6
281.10269	49.9
303.25781	5.4
341.12238	10.7
403.12408	26.7
467.05719	5.2
472.73880	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	565.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83949	0.6
59.01093	1.3
59.01372	21.5
61.98812	1.6
67.01875	1.5
69.03448	46.4
69.17413	0.7
71.01382	6.6
85.02943	2.3
88.18480	0.8
89.02434	4.2
93.07102	0.9
95.01360	2.0
95.05018	13.9
98.20660	1.1
99.00880	0.7
101.02436	2.3
106.04222	4.6
111.00880	2.5
113.02428	3.4
113.52060	0.7
117.03418	2.0
119.05013	1.7
121.02944	6.0
121.06582	24.7
123.04482	3.5
127.03975	1.6
132.02162	11.8
133.02965	9.8
134.03728	30.0
135.04559	5.9
136.01697	0.8
139.00346	8.4
139.03923	1.1
139.07639	7.7
147.04478	6.3
148.05267	3.2
149.02405	1.4
149.06068	6.6
158.03687	1.1
160.01636	60.3
161.02423	26.9
162.02808	0.9
163.03970	1.6
165.05528	6.9
172.10782	0.8
173.06068	1.3
175.03973	100.0
176.04749	13.5
177.01865	3.0
177.05443	2.4
178.02716	3.7
179.03461	4.4
183.06563	4.0
191.07104	16.3
192.04276	1.9
192.07393	0.9
193.05031	28.9
194.05399	1.6
201.21339	0.8
207.06616	6.0
209.04517	8.3
217.04977	1.1
220.03755	1.8
221.04504	1.3
235.06084	32.9
236.06383	0.9
265.07098	7.6
281.06573	1.0
295.08188	9.2
323.07663	2.8
337.08954	4.1
345.11874	7.0
355.10388	2.0
389.10770	3.4
393.11929	1.3
489.14215	2.3
495.37991	0.7
521.16541	29.7
521.24457	1.4
522.16907	2.9
533.13086	1.0
534.62006	0.8
548.95233	0.8
565.15533	17.9
566.16339	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.2
58.00610	4.1
59.01373	100.0
63.15758	3.1
68.99803	14.2
69.03434	3.6
71.01380	56.6
72.99307	9.4
73.02949	6.5
85.02937	14.5
87.00859	5.5
88.70284	3.0
89.02433	61.1
93.03455	13.4
95.01385	8.8
96.92165	2.9
98.19939	20.1
98.20666	12.3
101.02425	42.2
107.05024	8.3
111.00860	7.8
111.04525	3.2
113.02452	24.5
117.03445	5.9
119.03505	26.4
119.05010	50.0
121.02995	16.6
123.04507	4.2
127.04063	5.1
133.02950	14.2
134.03699	4.7
135.03494	4.2
135.04514	79.5
136.04846	17.0
137.02446	21.4
137.05060	5.1
137.06071	6.2
139.00299	7.2
143.03453	6.9
145.02910	12.4
145.41171	3.5
149.04570	4.4
151.03973	5.6
153.05537	6.5
161.02441	36.7
161.04454	7.7
162.02776	12.2
163.00311	3.9
163.02763	6.3
163.03999	73.9
164.04483	4.0
165.01866	23.2
173.04530	5.3
179.01956	5.8
179.03470	39.3
179.05608	10.1
180.03822	11.6
181.03854	5.0
189.01917	9.7
195.06635	5.2
197.04630	4.0
197.08025	3.5
207.02957	15.4
230.69437	5.3
231.06796	6.7
239.05331	3.6
265.08707	2.9
275.05560	6.5
281.06610	4.0
299.09256	3.2
341.10016	8.3
343.08136	29.4
361.09021	7.5
385.09244	10.9
470.08652	3.7
505.12827	4.5
523.14465	8.0
565.17731	47.7
566.17065	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	565.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89813	1.0
52.58794	1.1
58.00593	2.6
59.01371	77.4
59.34840	1.1
61.04508	1.2
61.67535	1.3
67.01881	4.3
68.99809	10.6
69.03446	25.1
70.98505	1.8
70.98840	1.2
71.01373	50.1
72.99304	1.7
73.02917	2.8
85.02936	9.2
87.00879	2.4
89.02431	65.2
93.03434	2.0
94.10798	1.0
95.01373	5.0
95.05012	26.9
99.04491	1.9
101.02434	43.6
109.02911	1.1
111.00868	15.4
113.02432	21.8
119.03484	25.0
119.04987	4.1
121.02943	100.0
121.06564	1.9
122.03271	1.9
123.04514	21.2
125.02404	1.2
127.03992	11.1
131.03531	2.7
137.06073	2.7
139.00346	15.8
139.03992	2.6
139.18852	1.1
143.03465	6.5
147.04456	5.7
148.04726	1.2
149.02434	3.9
149.04478	2.4
153.05563	1.6
161.04549	10.9
165.05533	15.2
167.03604	1.5
168.08406	1.0
179.05609	54.1
179.07111	9.5
181.05025	4.4
191.03473	4.3
209.04507	3.0
223.06070	40.9
224.06401	1.6
241.07420	1.4
333.08148	2.8
371.09772	38.5
372.10229	1.5
403.12396	49.6
404.12567	1.7
422.43164	1.3
557.04022	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10442	2.1
55.01867	4.3
56.64974	1.5
57.03442	3.5
57.50841	1.7
59.01371	100.0
59.78534	1.7
67.01873	10.9
68.80307	1.6
68.99813	6.4
69.03466	9.4
71.01374	75.6
72.99306	4.8
73.02924	12.4
75.00879	2.6
75.78490	1.8
78.95913	3.0
83.01367	4.5
85.02934	21.4
86.00081	3.0
87.00864	13.8
89.02438	73.4
91.19345	1.5
93.03468	2.0
95.01368	8.6
95.05014	21.2
96.95983	2.3
97.02977	2.0
99.00866	3.7
99.04543	3.6
101.02432	62.9
111.00876	18.4
113.02438	33.7
119.03490	30.1
119.04959	2.5
121.02944	46.0
121.06577	4.5
123.04516	14.1
124.05262	1.7
125.02350	1.9
127.03996	17.1
131.03511	13.2
133.02936	18.5
135.04501	7.8
135.11784	3.8
137.06107	3.2
139.00311	9.0
143.03503	8.9
147.04575	2.0
149.02419	3.7
159.02965	2.5
161.02437	77.6
161.04498	31.5
161.09698	6.7
162.02806	1.6
165.05531	8.8
173.04480	4.2
174.78253	2.0
179.05600	82.6
179.07187	4.2
179.10756	38.0
191.03508	4.1
221.06638	57.5
222.07118	2.0
223.06432	8.3
223.09714	84.3
224.10127	2.6
263.07672	22.6
265.10873	2.8
323.10016	2.7
325.12982	1.8
341.10968	2.5
373.14990	1.9
385.15009	16.0
403.16043	64.6
404.16531	5.2
409.17618	1.8
489.16153	2.8
529.15509	52.5
530.15857	6.1
533.15125	33.9
534.15784	2.2
565.17279	43.8
566.18518	2.4
577.08862	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	565.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50063	1.8
58.00593	3.4
59.01370	100.0
65.41933	1.7
67.01855	2.3
68.99810	10.5
69.03442	17.1
69.35706	12.3
69.36118	3.5
71.01370	65.5
71.01765	3.9
72.99294	2.9
73.02940	7.2
76.38751	2.0
83.01369	2.8
85.02938	15.3
85.06809	1.8
87.00859	6.5
89.02430	96.7
91.95929	1.9
93.03452	2.4
95.01386	5.0
95.05030	5.1
95.65186	2.0
96.96014	2.1
99.00897	5.2
101.02426	66.9
111.00868	3.9
113.02438	28.4
119.03487	32.7
119.04911	2.4
121.02928	20.5
123.04508	4.8
127.04017	3.7
131.03500	6.9
133.02966	2.3
139.00331	4.8
143.03470	11.6
147.04477	4.4
149.02451	3.6
149.04544	4.1
153.05611	2.1
154.53378	1.9
156.02774	1.7
161.02426	3.9
161.04555	14.8
172.09839	2.0
177.01878	4.5
179.05585	67.2
179.07130	4.2
181.04962	3.1
195.02922	2.5
197.08127	3.6
203.46518	1.7
213.04089	2.3
221.06593	17.6
223.06067	36.8
246.32140	1.9
263.07584	2.2
265.07089	3.7
371.09811	3.7
372.14743	1.8
403.12296	31.8
404.12735	2.5
495.49191	2.2
529.15717	2.0
548.49884	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	565.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	3.1
59.01371	100.0
60.43838	1.3
61.98811	3.1
64.75248	1.4
68.99799	13.9
69.03446	10.0
69.88071	1.5
71.00988	3.0
71.01374	54.6
71.37181	1.7
71.93816	1.5
72.99320	2.4
73.02937	34.5
83.01369	3.7
85.02943	16.9
87.00867	15.1
87.04516	3.8
89.02429	48.4
90.31676	1.4
92.17140	1.7
93.03444	12.8
95.01380	2.6
99.00856	1.6
101.02431	87.0
103.03993	14.5
109.02937	3.1
110.56841	1.6
111.00870	2.6
112.67826	1.8
113.02444	19.9
115.03973	4.9
119.03483	17.7
119.04996	6.6
120.03854	1.4
121.02962	10.4
123.04507	3.2
125.02429	1.9
125.87543	1.5
127.03978	4.7
131.03537	8.8
135.04488	8.8
137.02428	29.9
139.00433	1.7
143.03485	14.6
145.05034	5.4
148.44081	1.7
149.02478	2.6
149.04578	2.8
153.05501	2.1
161.02411	3.6
161.04596	7.5
163.03961	2.9
163.06108	54.8
165.05496	1.9
167.03458	1.6
177.05548	1.4
179.03455	4.1
179.05562	16.8
179.06987	2.8
181.05025	2.3
184.38890	1.5
195.02959	3.0
195.06482	1.7
205.05205	2.8
205.07111	21.4
213.04068	3.1
213.07629	7.8
221.06677	2.2
223.06102	20.5
239.05547	18.6
260.17438	1.4
265.06891	3.2
265.09421	3.5
281.10245	14.2
341.12308	2.7
371.09619	3.1
371.96777	1.8
403.12216	14.7
404.12704	1.8
521.18152	2.8
529.15271	3.4
565.17596	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	565.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09864	1.4
57.03441	1.7
58.00587	3.2
58.90355	1.5
59.01373	72.1
67.01880	13.5
67.63664	1.5
68.99818	7.2
69.03448	14.1
69.53559	10.6
71.01370	59.4
72.99310	4.4
73.02930	11.8
82.16557	1.6
83.01388	2.0
85.02968	9.9
87.00841	8.4
89.02435	90.3
93.03461	5.0
95.01378	5.8
95.05013	26.7
97.02953	2.1
99.00891	3.3
101.02431	59.2
111.00867	19.4
113.02432	27.5
119.03493	36.7
119.04898	1.8
121.02944	64.0
121.06575	4.7
123.04524	18.9
124.04853	1.6
125.02455	5.5
127.03999	23.7
131.03496	7.9
133.02940	2.2
134.03737	3.7
135.04561	2.5
137.06073	2.5
139.00348	15.4
140.78889	1.6
143.03502	9.4
147.04556	2.4
149.02455	6.0
149.04530	2.6
150.03194	4.3
151.03381	1.5
155.10713	2.0
159.03091	1.6
161.02428	4.6
161.04524	18.2
162.51497	1.5
165.05533	11.9
173.04549	9.2
174.04764	1.8
175.04927	2.4
178.02768	1.6
178.43063	1.4
179.05592	100.0
181.05038	3.1
193.05006	2.8
194.05397	4.5
209.04556	1.6
221.06645	23.7
223.06096	9.0
239.95641	1.4
284.85742	1.5
323.09851	2.0
341.10779	6.2
390.13031	1.9
391.12961	6.0
533.15033	24.0
565.17596	46.5
566.17944	3.1
591.91290	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	565.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
59.01373	19.1
61.98515	0.7
61.98823	11.2
65.00327	0.5
65.03960	1.0
67.01878	12.0
68.99808	34.8
69.03446	15.0
69.71149	2.6
71.01369	9.4
73.02938	7.3
83.01399	2.4
84.63723	0.4
85.02958	3.1
87.00866	1.6
89.02415	3.7
93.03444	1.7
95.01370	2.8
95.05008	8.1
99.00867	2.1
99.04514	0.9
101.02431	84.4
102.02769	1.7
107.04976	1.0
108.02123	0.9
109.02914	1.5
111.00870	30.3
112.01178	0.5
113.02423	4.7
116.92837	2.4
119.03480	0.7
119.05007	1.3
121.02949	3.9
121.06577	1.2
123.04485	1.4
125.02429	6.1
127.03996	31.1
135.04515	1.0
137.06055	6.9
139.00360	14.7
139.03992	10.3
139.04800	0.3
143.03476	4.6
147.04546	1.0
149.02431	2.2
149.04506	1.9
151.07686	0.5
152.01135	1.3
153.01920	7.0
153.05548	1.4
159.02916	0.6
161.02481	1.0
161.04568	1.8
163.03972	1.6
165.05556	1.7
171.02956	11.5
174.37428	0.4
177.05444	0.6
179.07137	1.2
181.04962	1.1
191.03503	0.6
197.08125	1.3
205.04929	0.5
223.06087	5.8
223.13240	0.6
257.91333	0.5
259.09695	35.1
260.10110	1.5
265.07227	0.6
291.08698	100.0
292.09052	5.4
327.71750	0.5
329.10471	1.0
340.23718	0.4
361.12857	30.2
362.13214	2.1
373.22101	2.4
385.11569	2.5
416.60748	0.5
431.26239	0.5
435.12851	0.5
505.17194	2.8
505.26239	4.6
523.18140	1.7
535.57635	0.5
564.31299	0.7
565.18359	2.7
565.31647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50880	5.4
59.01370	100.0
61.98825	58.4
65.32858	5.1
67.58389	5.1
69.03460	5.5
71.01367	26.3
71.61589	7.6
71.61989	6.3
75.00857	5.2
89.02424	37.8
99.00858	8.0
101.02441	19.0
104.53637	5.3
113.02416	10.2
125.02406	12.0
149.04541	21.6
171.59744	6.2
181.47665	6.2
191.05392	5.3
233.06548	6.8
233.15450	8.6
234.68739	5.9
235.13373	19.2
293.08701	78.9
329.06418	72.4
445.31314	12.5
505.33075	8.7
565.20673	19.2
565.31281	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	565.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47360	1.8
57.03455	1.8
58.00586	4.6
59.01375	90.0
67.01882	8.7
68.99812	5.3
69.03453	6.7
70.09145	8.1
71.01376	58.5
72.99304	2.9
73.02946	7.2
75.00864	1.4
82.41036	1.4
82.56884	1.6
83.01404	1.9
85.02946	11.6
87.00877	4.5
89.02436	67.3
91.65403	1.5
93.03474	2.5
95.01394	4.0
95.05025	18.8
97.02946	2.3
99.00885	2.3
99.04534	7.8
101.02436	47.0
101.03078	2.9
111.00894	9.0
113.02435	25.7
119.03487	25.2
119.04992	2.6
121.02124	3.0
121.02946	42.5
123.04502	11.2
124.05299	1.8
125.02421	2.4
127.03974	17.0
131.03502	4.5
133.02917	1.8
135.04480	2.3
135.11801	5.1
139.00357	9.1
143.03468	7.7
149.02408	1.6
149.04585	2.8
161.02441	5.5
161.04535	12.4
161.09683	9.1
165.05563	6.0
179.05598	61.4
179.07050	2.1
179.10754	43.2
180.11053	1.7
196.87053	1.6
198.39528	1.9
221.06667	25.4
223.06198	4.6
223.09735	100.0
224.10107	3.7
239.09302	2.2
265.10791	6.3
281.08911	2.0
320.26968	1.6
327.67416	1.8
359.17047	3.8
385.15033	17.3
403.16028	76.9
404.16507	5.5
498.80566	1.9
533.15088	16.7
540.54034	2.1
565.17352	31.7
566.18231	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03440	1.7
58.00583	1.8
59.01371	44.9
61.98807	2.9
70.21234	0.7
70.61995	0.6
70.62336	1.3
71.01375	21.3
72.99289	1.4
73.02944	2.1
78.50726	0.6
78.95882	1.1
83.01375	1.9
83.05010	1.6
85.02926	5.4
87.00872	4.8
87.70669	0.6
89.02437	26.9
90.02766	0.6
95.01392	1.9
97.06586	0.8
101.02433	17.0
107.05033	3.1
108.02138	0.5
108.83208	0.6
109.02946	0.9
113.02436	10.1
119.03485	12.5
119.04842	0.7
120.05764	1.9
123.03833	0.6
123.04527	6.0
125.02482	0.6
131.03464	0.8
133.02962	0.9
135.04510	55.0
136.04857	0.8
143.03450	1.3
149.04541	0.9
153.01949	0.7
153.05568	4.9
161.02354	0.6
161.04520	1.7
161.09697	5.4
161.13356	2.5
163.11272	0.8
167.03435	1.6
177.01924	8.9
179.03476	0.7
179.05589	1.5
187.11275	8.0
189.09175	5.0
200.54019	0.7
203.10680	0.8
205.12299	3.3
207.10155	1.0
223.13304	0.8
242.55707	0.6
249.11320	4.9
267.12338	0.8
282.41464	0.7
297.09628	3.5
315.10800	64.7
316.11130	2.0
373.22403	1.1
405.75223	0.6
461.29907	0.6
503.23212	0.7
505.26642	2.1
547.21906	1.1
565.22858	100.0
566.23102	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	565.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92374	0.8
52.64878	0.9
59.01382	8.4
61.98827	6.4
71.01363	1.6
78.95895	61.4
87.11688	0.9
96.96005	10.9
96.96938	10.8
101.02432	1.1
109.29221	0.8
133.02927	1.5
135.04488	2.4
150.97972	1.1
152.99567	94.8
161.02400	3.6
171.00606	2.9
179.03441	2.6
223.00070	11.3
241.01155	23.4
249.18558	38.3
250.18811	1.5
259.02170	1.8
315.04822	15.0
333.06036	1.5
458.48248	0.9
471.34616	7.3
472.35065	1.8
565.24060	100.0
566.24420	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	565.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	32.9
61.98829	54.8
66.79388	4.2
70.48735	15.7
71.01366	6.2
78.95898	14.9
96.96001	100.0
113.02396	7.2
133.52763	4.6
146.15262	4.6
152.99625	7.5
161.02393	6.3
182.98744	5.1
197.02197	5.6
228.81392	4.9
253.09264	20.5
293.21170	65.8
434.70728	5.4
564.45270	5.8
565.27771	75.6
566.28973	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	565.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45774	0.2
59.01377	1.9
61.98833	1.1
69.58088	1.1
71.01360	0.5
72.99298	2.1
75.00862	100.0
76.01196	0.5
78.95918	0.3
85.02911	0.2
88.98790	0.4
101.02434	0.4
113.02430	0.4
152.99603	0.2
255.46751	0.2
317.21173	0.4
357.22955	0.5
489.27130	0.8
565.21143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92275	0.2
56.68931	0.2
59.01372	100.0
60.01720	0.7
61.81618	0.3
61.98825	1.6
65.65915	0.3
71.01397	0.4
73.98549	0.2
77.54505	0.2
82.71184	0.2
83.01377	0.2
91.05531	0.4
93.03469	0.9
95.01358	0.3
97.41685	0.3
101.02465	0.3
107.05045	0.3
108.04552	0.4
116.05079	0.6
118.06620	1.5
119.05036	0.6
120.04556	0.3
122.02458	0.5
123.03270	0.8
123.04592	0.3
124.04021	1.8
132.04527	0.3
134.02475	0.6
134.06133	0.3
135.04529	0.5
137.02454	1.9
137.06062	3.6
138.05594	6.9
138.06599	0.4
144.04564	0.2
145.06494	0.5
147.04501	1.4
148.04045	0.8
149.02501	0.3
149.06091	0.3
150.05524	0.3
151.03984	0.5
162.05573	0.6
164.04892	0.3
164.07143	5.1
165.05542	0.5
166.05101	2.0
166.06519	0.4
176.03491	0.2
176.07208	0.9
178.05096	1.9
179.07118	20.2
180.08171	0.7
194.08240	1.1
208.06114	0.9
208.07726	1.0
214.08699	4.0
220.06079	0.3
222.09145	0.6
229.60973	0.2
238.07198	0.6
240.10274	4.8
240.12575	0.4
248.10924	0.3
250.08763	0.4
266.11835	0.4
280.09909	0.6
280.13394	0.7
282.11301	5.7
282.14404	0.3
284.09344	1.6
292.09763	0.5
294.11093	0.4
298.14536	0.7
306.11481	0.6
312.12387	5.5
324.12396	5.6
324.16235	0.3
342.13431	1.9
356.11304	0.6
373.23776	0.3
384.14432	0.3
386.12357	0.7
402.15674	0.9
566.20032	2.8
584.76495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.1
58.05992	1.7
59.01374	63.1
61.98823	26.8
66.03461	4.6
66.05158	1.6
67.01851	1.9
68.99559	7.1
69.03449	29.5
69.80775	3.3
69.81171	8.6
71.01372	7.7
73.02929	3.0
79.01878	2.5
81.02203	14.6
81.03444	6.8
82.06611	14.9
83.05013	3.7
85.02946	12.1
89.02418	5.9
93.03443	6.6
93.94630	1.7
94.02974	3.5
95.05021	4.3
97.02940	3.4
99.04527	3.6
101.02435	7.7
107.03790	2.1
107.04992	2.8
108.04551	2.8
108.08137	1.6
109.01625	2.2
109.02935	1.8
111.00858	5.2
111.04506	13.1
112.98532	10.2
113.02451	4.3
114.46832	1.8
119.05022	2.4
120.04501	5.2
121.02944	1.9
122.06062	1.8
123.04521	42.4
124.01650	3.5
127.04025	4.1
128.07138	1.8
128.90152	2.6
130.08699	3.2
135.04483	2.9
136.00429	2.6
137.02400	5.9
137.06053	4.7
138.09232	78.7
145.02834	2.3
149.02406	2.9
149.06071	2.3
152.03508	20.5
153.05531	24.4
155.03511	15.5
155.07091	2.3
162.09216	9.6
162.12866	3.1
163.03954	4.1
164.04271	1.9
164.10788	20.0
165.04263	4.0
166.12346	4.0
168.02997	4.1
170.11829	9.6
172.07608	1.7
178.06270	1.7
179.03436	2.1
179.06985	1.9
180.10257	6.0
190.08711	5.9
190.12294	9.7
192.10201	4.1
193.08659	1.8
194.11789	4.0
195.06569	7.8
196.13412	16.6
199.05974	2.4
204.14072	1.9
206.15483	2.4
208.09741	23.7
208.13303	4.0
214.08878	3.5
214.10791	45.0
214.12317	1.9
222.11334	68.7
222.14754	14.0
223.11693	3.1
232.13391	6.4
234.11264	6.1
240.12352	5.0
248.12819	2.5
249.07545	6.4
252.12244	2.9
264.15887	3.5
266.10272	25.0
266.13809	4.8
273.07669	5.0
276.12491	2.1
284.15005	5.1
289.17276	1.9
290.13968	6.2
291.08633	3.8
308.14828	3.3
310.12903	13.6
315.08777	3.5
326.15891	4.3
330.72247	1.7
334.12637	2.3
344.14944	2.9
352.13843	6.9
368.16992	2.2
370.15503	2.0
394.10410	3.1
394.15070	37.2
395.15158	2.1
412.16156	12.0
420.16281	9.3
444.20151	1.9
446.18143	100.0
447.18402	7.8
462.20865	2.0
464.19287	25.2
465.19263	1.9
488.18747	5.2
504.18661	7.5
505.33862	4.2
506.20392	17.3
506.34042	5.8
507.35187	6.5
529.26575	2.4
529.75922	2.1
530.26788	6.5
548.21362	17.4
566.22369	40.2
567.24207	8.3
583.56598	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	566.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98822	100.0
73.02947	0.2
89.02429	0.4
91.07187	0.2
101.02423	0.3
105.62731	0.2
111.70849	0.2
116.92874	0.7
117.23682	0.2
117.92892	0.4
121.02950	0.2
123.52974	0.2
156.95747	0.2
161.02567	0.2
161.60266	0.2
183.03029	0.4
193.05054	0.2
195.06599	0.2
299.51312	0.2
349.45468	0.2
566.17255	0.4
567.14209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88000	0.9
51.37314	0.8
55.01890	0.9
58.00581	2.6
59.01374	60.9
63.02355	0.8
65.03960	1.2
67.01890	2.3
68.99813	1.3
69.03161	0.5
69.03446	18.3
69.25633	8.2
71.00981	2.0
71.01373	24.7
72.99295	2.4
74.02304	0.9
77.03957	4.8
81.03447	0.9
85.02950	7.0
87.00879	2.0
89.02436	31.4
89.03943	4.3
91.05527	9.5
93.03446	11.6
95.01364	3.9
95.05018	4.6
101.02425	12.6
103.15476	0.9
107.05013	7.4
109.02936	3.5
109.06563	1.9
109.23476	0.8
111.04514	1.4
113.02442	11.9
117.03458	17.1
119.03564	8.3
119.05011	36.3
121.02123	1.4
121.02938	19.2
127.03970	2.3
131.03502	1.1
133.02896	1.0
133.06609	1.2
135.04506	34.2
136.04913	1.2
137.02478	1.9
137.06067	62.1
138.06424	1.8
139.00346	1.6
143.03410	1.7
145.02936	36.8
146.03363	0.9
148.01649	55.6
149.02043	1.0
149.06061	0.8
161.02383	3.4
161.04546	1.4
161.06030	2.4
163.03987	89.9
164.04324	3.0
165.01883	11.9
168.84760	0.8
179.05588	4.3
179.06967	0.9
181.05058	15.0
189.01900	11.4
207.02985	6.9
207.67978	0.9
223.06125	1.5
233.08096	4.7
277.07169	5.5
283.09717	100.0
284.10092	6.1
301.10785	23.3
327.08679	53.7
328.08987	3.6
345.09802	4.7
405.11823	2.3
441.62848	0.8
464.48694	1.1
507.14835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	8.6
61.98821	5.0
65.00309	0.9
68.82842	0.5
69.03455	0.6
69.87070	2.7
71.01376	7.1
72.99295	5.0
73.02944	1.6
75.04446	0.5
83.01394	0.5
85.02950	2.5
87.00855	1.0
88.98834	0.6
89.02422	6.8
91.01871	3.0
92.97969	0.5
93.03443	10.9
96.96025	0.5
99.00848	3.4
99.10565	0.5
101.02438	4.2
107.05030	0.5
108.02180	1.1
109.02940	65.0
110.03245	1.3
111.00858	0.6
113.02428	2.7
119.03503	1.4
119.05026	1.9
121.02962	0.8
123.00864	0.8
123.04507	1.4
124.01637	0.9
125.02418	0.7
131.03453	0.7
133.02927	1.2
134.03755	1.1
135.04517	8.0
137.02434	12.6
149.02467	0.7
149.04556	1.2
149.05977	0.6
150.03160	1.0
151.03987	2.6
153.01917	100.0
154.02255	1.9
160.05276	1.1
161.02428	2.1
161.04478	0.6
161.06026	0.7
164.04758	0.5
165.05594	0.7
166.02620	0.5
173.04584	0.9
175.03984	1.3
175.07591	1.0
179.03532	3.9
181.05063	1.6
181.12311	0.6
190.02664	0.5
191.03548	0.7
191.05621	1.4
193.04968	0.6
205.04941	0.6
215.66525	0.5
225.11301	1.4
235.06178	0.5
239.91107	0.5
315.10986	2.5
329.13901	6.9
345.13010	0.6
359.14935	1.0
367.10229	1.1
375.14432	1.0
387.10587	1.4
389.01721	0.5
405.17499	1.4
429.13934	3.9
431.15375	0.9
447.14838	4.8
477.13483	0.9
567.17047	85.3
568.17389	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	567.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.7
65.49355	0.3
69.03465	0.5
69.55734	2.0
69.56143	0.8
71.01385	2.2
71.99943	0.3
73.02924	0.5
75.00887	0.4
78.95895	0.4
80.20644	0.4
81.03471	0.8
85.02430	0.6
85.02946	9.1
85.51768	0.4
85.63138	0.4
87.00863	2.6
87.81219	0.4
89.02430	0.9
93.03438	3.3
96.95953	0.4
96.96954	0.4
103.93171	0.4
109.02937	1.4
111.00879	0.5
111.04506	1.0
113.02410	0.6
114.72775	0.4
115.00384	0.9
121.02974	0.4
127.03965	2.2
133.01445	1.5
150.03258	1.2
165.05560	1.3
173.04550	1.8
181.24545	0.4
191.05592	100.0
192.05981	2.3
195.06586	0.6
206.52745	0.4
215.35760	0.5
248.45248	0.4
375.13132	0.6
567.17010	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	567.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31958	3.7
57.84450	3.9
59.01090	8.0
59.01372	100.0
69.03460	6.0
71.01377	63.3
71.60147	3.4
73.02954	16.4
78.95905	5.4
82.03005	4.0
83.01363	6.8
85.02950	19.2
88.98801	4.7
89.02449	36.7
95.01392	10.0
101.02421	36.9
113.02428	43.2
119.03506	11.5
119.05009	35.3
122.75481	4.1
137.06061	5.0
143.03523	5.1
149.04626	4.1
161.04524	10.1
164.04848	5.1
179.05611	8.9
181.07120	19.9
191.05516	12.0
201.03754	4.1
223.06067	12.4
225.01703	8.0
281.10269	87.0
282.10663	5.8
299.11487	6.9
341.12378	45.9
403.12527	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	567.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.8
59.01637	0.4
69.55296	3.2
71.01365	1.6
85.02945	10.0
87.00874	1.9
89.02442	0.6
91.08518	0.4
93.03441	3.8
95.97046	0.4
98.28954	0.4
101.41129	0.4
108.10671	0.4
109.02928	0.9
109.68783	0.4
111.04459	0.9
127.03990	2.3
164.04576	0.6
169.47707	0.4
171.03009	0.4
173.04480	0.6
181.07213	0.6
191.05592	100.0
192.05988	2.5
223.06116	0.8
237.54594	0.4
261.51743	0.5
548.12238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63458	1.0
55.01873	1.2
57.03431	1.1
58.00581	4.9
59.01371	100.0
67.01877	1.2
68.99805	13.5
69.03447	17.5
69.84515	4.0
71.01371	61.5
72.99306	4.9
73.02953	2.8
75.04050	1.0
83.01390	2.8
85.02937	11.7
87.00854	3.3
89.02428	82.8
90.02795	1.1
93.03397	1.8
95.01371	3.2
95.05008	5.5
99.00868	3.5
101.02428	56.6
108.51860	0.9
109.76728	0.9
111.00842	1.2
113.02431	26.2
119.03487	33.2
119.04924	2.5
121.02932	13.8
123.04495	3.8
125.02418	0.9
127.03983	5.1
129.56506	0.9
131.03471	4.2
139.00290	4.6
143.03481	7.3
147.04515	1.5
149.02408	3.1
149.04539	2.9
152.87003	0.9
153.05518	2.2
161.04529	8.5
163.04001	1.5
163.06113	4.3
165.05516	1.6
179.05586	44.3
179.07016	2.1
181.07147	54.2
191.03464	2.3
197.08133	3.8
223.06082	46.3
223.08296	2.3
224.06424	1.6
255.08627	0.9
303.10797	3.1
335.09610	4.9
359.13269	2.3
371.09567	2.0
403.12378	38.5
404.12729	1.5
405.13693	4.2
567.17896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	4.5
59.01374	100.0
60.01709	1.2
61.98849	1.4
62.62176	1.1
63.85471	1.0
67.01890	2.9
68.99808	13.2
69.03446	18.4
69.61502	2.1
69.61919	4.6
71.01374	69.1
72.99305	3.4
73.02925	2.7
75.00832	1.1
83.01372	2.5
85.02945	12.5
87.00877	4.5
89.02434	88.5
90.02758	1.4
93.03476	1.7
95.01379	3.6
95.05011	7.5
96.95997	5.1
99.00887	3.7
101.02433	64.4
102.02765	1.4
104.15434	1.1
111.00895	1.1
113.02440	26.6
119.03490	37.2
119.04984	2.4
121.02941	18.2
123.04533	3.4
125.02399	1.4
127.03973	5.2
131.03499	5.1
134.03708	1.5
135.04506	3.5
137.06062	1.9
139.00346	2.0
143.03442	9.5
147.04495	2.5
149.02432	3.3
149.04579	3.1
150.96454	1.0
151.03917	1.4
153.01857	1.1
153.05580	3.6
161.02434	3.3
161.04498	8.6
161.05769	1.3
163.03989	1.9
163.06097	4.3
165.05589	3.4
179.05592	40.2
179.07057	2.3
180.05920	1.7
181.07164	59.6
182.07570	1.7
191.03494	2.2
195.06717	1.3
197.08154	3.0
223.06079	43.7
224.06427	2.3
243.48608	1.1
303.10760	4.2
312.10004	1.6
323.07773	1.5
333.08194	2.2
335.09738	6.6
351.86887	1.2
357.13287	2.1
359.13339	3.1
371.09756	2.1
373.09601	2.3
403.12381	46.0
404.12653	2.9
405.13754	5.4
549.14612	1.2
567.15948	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	567.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03203	0.5
55.01873	1.3
57.03418	1.2
58.00588	4.2
59.01374	95.5
60.01693	0.6
71.01376	63.1
72.99294	3.8
73.02943	1.4
83.01371	1.9
84.01691	0.5
84.02182	0.7
85.02941	9.6
87.00871	4.5
89.02435	100.0
90.02755	0.8
90.39106	0.5
93.03421	0.7
95.01375	4.3
97.02917	0.5
99.00836	0.7
101.02434	32.6
102.02785	0.7
105.03457	2.3
108.02163	4.5
109.02960	0.9
113.02439	27.4
117.03441	1.9
119.03490	35.7
121.02914	1.6
122.03693	0.7
123.04473	1.9
125.02392	0.8
131.03470	4.0
133.02943	2.4
134.03741	2.6
135.04504	0.9
136.01619	0.6
137.02382	1.7
143.03488	7.0
145.02927	7.4
146.03722	1.3
146.25667	0.5
147.04510	2.4
149.02408	1.0
149.04562	3.7
150.03191	1.3
151.03993	6.8
152.01140	3.5
160.01563	0.8
161.02426	33.5
161.04439	6.3
162.03203	43.8
163.03612	1.7
165.05481	1.1
175.03876	1.2
176.04770	12.5
177.05544	31.9
178.05797	0.8
179.03410	38.5
179.05515	15.7
180.04219	3.1
191.05646	0.5
191.07114	4.2
193.04941	1.6
194.05809	35.3
195.06558	8.0
206.39235	0.4
209.08165	51.7
210.08495	2.2
235.05977	0.8
323.61841	0.5
357.11716	3.7
404.13681	0.6
405.14108	1.4
523.17896	0.6
567.12115	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	567.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62222	0.4
52.50740	0.4
54.46328	0.4
55.01866	0.4
57.03453	0.4
59.01371	10.2
61.98814	0.9
68.17100	0.4
68.99564	2.0
71.01373	5.7
73.02944	1.4
77.20048	0.4
83.01358	0.6
84.18797	0.4
85.02941	2.1
88.98817	0.6
89.02419	1.9
93.03431	0.5
95.01346	0.5
96.95996	13.2
97.95956	0.4
98.95586	12.7
98.96412	1.7
99.00863	1.1
101.02437	4.0
111.00831	0.5
112.98541	2.1
113.02422	2.2
115.92031	0.4
119.03452	0.4
121.02979	0.9
123.04511	0.5
125.02376	0.5
129.77118	0.4
131.03503	0.6
133.02937	0.6
134.03668	0.5
135.04491	1.1
137.02425	0.4
145.02931	1.0
149.06065	1.2
152.34277	0.3
153.09192	76.5
154.09521	2.6
161.02477	0.5
161.04565	1.3
163.03996	0.4
166.02574	0.7
167.03348	0.4
169.08659	0.8
173.04575	0.5
173.11694	0.4
179.03484	0.7
180.04013	0.3
181.05013	0.7
183.10214	0.9
191.03476	0.5
197.08157	100.0
198.08499	3.1
200.28069	0.4
205.08672	1.1
206.05794	2.0
207.06564	2.4
221.08102	2.1
249.07657	1.1
285.03885	1.4
320.88327	0.4
345.30219	0.7
370.53790	0.4
374.89346	0.5
388.15344	0.5
403.17834	0.9
404.17850	1.6
405.18018	2.7
505.84509	0.4
507.35306	13.0
508.35675	0.6
531.21387	0.6
531.28284	1.6
567.25879	3.1
567.34021	0.5
568.23199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12761	1.5
59.01366	6.8
69.03462	1.8
69.41528	5.6
69.41963	7.6
71.01375	3.9
73.82544	1.5
74.25504	1.5
78.95892	100.0
88.98807	2.9
89.02427	6.9
96.96939	7.0
98.19778	2.8
101.02444	4.2
103.96217	1.3
109.89393	1.6
114.79092	1.7
119.03515	3.1
120.30098	1.5
125.36825	1.5
126.30471	1.5
146.98923	1.7
163.01485	1.4
179.05579	3.9
181.07173	3.9
223.06010	4.4
267.09973	65.7
268.10263	2.9
559.97168	1.9
560.11621	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	567.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.1
59.55713	1.0
69.69050	5.8
71.01377	15.2
73.02921	3.2
80.91154	1.0
85.02944	3.0
87.00865	1.9
89.02433	13.0
95.01379	1.1
95.06655	1.0
97.59449	1.0
101.02444	6.9
113.02451	5.3
119.03465	4.1
129.77544	1.3
143.03453	1.1
163.11272	5.3
179.05658	1.4
181.12317	33.3
183.10219	1.5
207.10136	2.0
225.11290	100.0
226.11621	3.6
233.15637	1.3
243.12375	5.2
249.11353	2.9
267.12271	3.3
387.16632	11.4
388.16922	1.2
405.17603	89.1
406.17941	5.1
567.22827	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	567.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
58.00580	1.4
59.01375	25.7
71.01373	15.7
71.60786	0.6
72.01691	0.4
72.99293	1.1
73.02947	4.7
83.01390	0.6
85.02939	3.6
87.00877	0.7
89.02438	13.6
89.02986	0.7
95.01363	1.2
95.05002	1.5
96.95992	0.5
99.04478	1.0
101.02431	8.3
113.02449	6.2
119.03484	3.4
131.03502	0.7
137.06075	0.4
139.11292	0.8
143.03418	0.5
152.24080	0.4
161.02412	0.4
161.04559	1.6
163.11264	6.3
168.60939	0.4
179.05556	1.6
181.12323	30.8
182.12625	1.0
199.85014	0.4
203.12767	0.4
207.10190	3.1
225.11287	100.0
226.11580	4.0
227.12907	0.4
239.09235	0.6
239.12935	0.7
243.12329	3.7
249.11304	2.0
267.12283	2.9
300.12408	0.5
327.14355	0.6
387.16571	10.9
388.17139	0.6
405.17590	98.0
406.17929	7.3
447.18887	0.6
450.49017	0.4
567.22968	16.5
568.23102	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	567.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83471	1.8
52.73696	1.6
59.01374	19.5
61.98825	22.0
71.01379	22.5
71.62514	2.1
71.62859	2.3
73.02925	4.0
85.02928	6.0
89.02419	15.8
93.03442	5.7
99.00845	5.7
101.02441	14.0
106.07862	1.6
110.30356	1.6
113.02421	6.0
119.03516	2.2
131.03482	3.4
137.02415	8.9
149.04503	7.1
230.22763	1.7
233.06441	2.5
269.56583	1.8
285.03967	3.5
336.14429	5.4
343.96088	2.2
352.93958	2.1
353.75610	2.0
378.86432	2.2
396.16412	2.5
399.23584	5.3
507.35251	3.0
529.26416	3.1
531.28033	84.7
532.21570	4.4
532.28802	6.6
567.25549	100.0
568.25873	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	567.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41674	1.0
59.01370	16.5
61.98818	4.8
70.56614	2.1
70.56921	1.1
71.01378	11.5
72.99295	1.5
73.02921	3.5
74.87644	1.3
75.44741	1.3
75.63537	1.0
85.02907	1.8
89.02435	20.3
99.00908	5.8
101.02424	10.1
108.62431	1.3
113.02422	3.9
119.03518	2.1
131.03461	3.6
144.39616	1.1
149.04552	16.9
161.04433	1.5
191.05569	4.8
197.92955	1.2
220.18268	1.2
221.06670	1.8
251.07649	3.1
259.67496	1.2
285.67575	1.2
303.32437	1.1
311.09695	1.3
311.56656	1.2
389.64105	1.4
416.56525	1.3
457.84903	1.3
531.28070	47.9
532.28351	3.7
567.25647	100.0
568.26111	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	567.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	54.3
60.99289	6.8
61.98822	67.1
67.00844	3.7
69.03436	4.7
71.01366	30.5
72.99314	4.9
73.02927	9.4
78.95890	8.3
83.05019	4.1
85.02967	8.3
88.98807	48.2
89.02435	46.7
96.95995	43.5
98.19813	7.2
98.95562	3.5
99.00883	9.4
101.02423	26.7
113.02445	11.4
116.92847	7.1
119.03527	6.2
119.05008	13.9
125.02471	4.0
131.03485	8.6
133.02945	14.3
135.04547	22.4
137.06067	5.3
149.04527	49.7
151.83455	3.6
152.96007	3.3
155.10757	3.5
161.02431	32.7
161.04552	4.4
163.04008	6.1
179.03496	22.4
185.09708	6.2
191.05542	9.8
221.04391	6.7
221.06502	4.8
251.05392	4.4
251.07788	7.0
281.06509	8.8
341.08670	9.4
373.44449	3.7
407.25137	3.9
531.21088	6.7
531.23181	5.0
531.28064	30.7
567.25543	100.0
568.25897	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	567.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01236	0.7
59.01372	2.2
61.98814	12.9
64.93309	0.8
90.63259	0.8
92.42548	0.8
96.95982	1.8
102.21718	0.7
143.59764	0.7
186.96347	0.8
285.04190	1.0
305.21072	2.2
332.89938	0.9
337.48703	0.9
405.27734	1.0
409.27469	2.9
421.31168	1.5
422.65332	0.9
423.29138	2.2
425.30588	2.2
439.32071	70.9
440.32382	5.6
441.33679	2.4
485.32635	100.0
486.32922	8.7
490.34854	0.9
567.32965	57.4
568.33246	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	567.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
57.03430	1.7
57.70753	0.5
59.01373	50.2
61.98827	6.9
62.65213	0.5
67.01872	0.8
68.99559	4.6
71.00984	1.2
71.01374	23.6
72.70555	0.5
72.99297	1.4
73.02943	7.9
75.00859	0.7
83.01376	3.6
85.02935	11.0
87.00860	1.5
88.98826	1.2
89.02435	5.0
95.01372	2.2
99.00864	2.7
101.02432	17.1
105.01908	1.0
111.00842	1.6
112.98551	5.4
113.02442	9.9
117.03442	1.2
119.03467	1.1
119.05027	1.1
123.04523	1.0
125.02449	1.0
129.01913	0.8
129.71248	0.7
143.03519	1.0
145.02974	4.5
149.06071	1.6
153.09189	60.9
154.09535	2.0
159.02974	2.3
161.02426	1.2
161.04527	7.5
163.03975	1.6
171.13943	0.8
173.04538	0.9
179.03516	0.9
183.10217	0.7
197.08160	76.7
198.08430	3.7
205.05028	0.9
206.05820	1.2
207.06631	1.9
212.62238	0.6
221.08168	1.5
242.07890	0.6
249.07620	0.8
285.03922	2.1
299.25873	1.0
345.30054	6.0
399.08652	0.7
428.06854	0.8
507.35297	100.0
508.35611	8.6
531.21997	3.4
531.28937	6.4
567.25354	9.9
567.34045	3.3
568.25500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66204	0.2
59.01369	1.8
61.98823	100.0
70.50926	0.7
71.01389	1.2
73.23136	0.3
73.84221	0.2
85.02969	0.2
89.02441	1.4
96.96008	0.6
101.02453	0.8
113.02439	0.6
119.03474	0.5
119.05003	1.1
135.11794	0.9
143.03430	0.3
147.48470	0.2
161.02454	0.8
161.04489	0.3
161.09714	0.8
179.03516	0.2
179.05682	0.2
179.10751	3.4
179.12219	0.3
203.10776	0.3
243.82431	0.2
281.10312	0.4
294.62698	0.3
299.08267	0.4
299.11307	2.6
340.38406	0.2
417.63763	0.3
461.21823	1.0
505.20935	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	84.9
59.58234	0.5
61.98821	5.2
68.99810	0.5
69.24514	0.4
71.01389	0.8
71.42002	0.5
85.02940	0.4
89.02431	0.9
93.40781	0.5
101.02431	0.7
102.03515	1.6
104.05078	0.5
106.04226	0.9
106.06667	0.9
116.05093	0.5
118.06610	1.0
119.05022	5.8
120.04550	0.8
124.03986	0.5
125.02488	0.5
130.06625	1.4
131.03737	0.5
132.04575	1.4
133.05305	1.0
134.06100	1.1
135.04503	4.4
136.07652	1.1
137.06030	0.6
144.04523	1.5
146.06126	1.7
147.04495	2.5
148.07663	1.8
150.05571	1.0
151.04012	0.9
153.05626	0.8
158.06097	4.1
159.03223	0.8
160.04007	7.7
160.07654	1.3
161.02469	1.2
161.04820	2.2
162.05574	2.0
162.09210	1.7
163.04008	0.6
163.07634	1.3
164.07205	2.0
165.04295	0.7
167.07123	0.7
174.05576	6.2
175.06371	6.3
175.66949	0.5
176.07137	22.4
177.05589	0.6
177.07455	0.8
178.05063	11.8
178.06487	0.9
178.08774	0.6
178.23006	0.4
179.03427	1.0
179.05441	0.7
188.07127	0.9
190.05128	0.6
190.08702	7.8
192.06679	1.5
194.08195	1.4
195.06482	0.5
202.05054	0.7
206.08194	1.3
207.08997	1.8
208.09729	5.3
220.06078	1.0
222.11304	10.3
240.10172	0.7
252.08614	0.8
254.11899	2.7
264.10144	1.0
270.14569	0.9
281.10495	1.1
296.12912	5.1
298.10767	0.9
314.13928	1.2
328.15540	3.7
340.11823	5.7
372.14444	100.0
373.14783	6.7
390.15549	9.6
391.15857	0.7
432.16559	19.0
433.17023	1.3
508.19849	1.3
526.20618	5.7
527.21265	0.8
568.21802	48.9
568.73413	0.9
569.21924	5.8
580.39929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83982	0.5
52.87050	0.5
59.01373	20.8
61.98831	5.2
65.03963	0.5
66.03458	1.1
67.01873	2.5
68.01416	0.6
68.99789	0.9
69.03457	1.7
71.01373	0.7
71.61633	0.8
72.00886	0.8
73.02928	1.0
78.03522	0.5
78.95892	0.6
79.05542	0.6
80.02670	0.6
80.05041	0.8
81.03437	1.2
82.02973	6.0
83.01364	0.6
83.05020	0.9
84.00896	0.6
86.02477	0.8
92.05042	1.1
93.03457	2.3
94.02986	1.0
95.04962	0.9
95.08682	0.5
96.96031	1.1
97.06538	0.6
100.04059	2.5
101.02448	1.4
102.05581	1.7
106.04237	4.4
106.06603	4.2
107.03773	0.9
107.05012	4.1
108.02142	1.6
108.04548	3.6
109.06581	0.7
110.02431	0.8
112.04042	3.8
113.06094	0.7
118.02979	0.6
119.05007	6.4
119.08660	12.6
120.04520	1.9
121.02940	1.7
121.06579	3.5
121.10207	0.7
122.02488	1.6
122.06047	0.6
123.04499	6.4
124.04048	3.3
133.06601	1.4
134.02460	1.7
134.06105	4.5
135.04462	1.3
135.08148	0.6
136.04005	3.6
136.07629	2.9
137.06065	85.5
137.09703	2.1
138.05577	2.1
138.06439	1.7
142.05060	0.9
144.06644	9.2
145.06631	0.9
145.10114	0.5
146.07335	1.0
147.08157	1.0
149.06110	0.6
150.05585	5.9
151.02742	2.1
152.03535	3.4
152.07173	2.7
154.05054	0.6
158.06119	0.9
160.07655	1.6
163.07628	0.9
163.11258	6.8
164.03482	0.8
164.07104	4.2
165.05547	3.9
166.05069	14.5
166.08702	5.8
170.08195	5.7
176.10754	2.9
177.09192	1.4
178.05151	1.2
178.08748	0.7
181.08662	1.1
182.04547	4.8
187.11269	1.9
188.07143	0.9
189.05540	0.9
189.12825	34.2
190.08623	0.7
190.13199	1.3
194.08211	0.9
196.06137	5.8
196.07744	0.7
196.09750	3.8
199.11208	1.1
202.08737	1.1
204.06561	0.7
206.11977	0.9
207.10271	4.5
208.06067	1.6
215.14366	93.9
216.06699	0.9
216.14700	3.6
218.08217	0.7
222.11325	0.5
223.15039	0.7
232.09769	3.1
240.08731	40.4
241.09015	1.3
241.12228	2.4
242.08260	0.8
256.09702	1.0
259.13324	1.0
264.12296	0.9
264.51382	0.5
267.13895	0.9
269.15198	0.7
270.07724	1.0
282.14886	1.8
284.13043	0.7
298.18073	1.7
299.16348	0.8
312.15915	0.9
314.17697	1.6
326.17313	0.7
328.19064	1.1
344.18518	6.1
345.18878	0.7
354.17050	7.8
355.17194	0.7
358.16547	5.2
360.14490	17.1
360.21408	0.7
361.14886	1.2
372.18051	4.7
386.19681	17.8
387.19968	0.9
404.20721	100.0
405.21136	5.8
448.19592	1.9
487.33640	1.2
524.26434	11.8
525.26788	1.0
559.28729	0.5
568.25366	7.0
569.26019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42406	0.5
57.76118	0.5
59.01373	20.8
61.98821	5.1
64.21426	0.5
65.71065	0.6
66.68261	0.5
69.26302	6.3
70.30777	0.6
75.00861	1.0
78.95894	22.0
83.73579	0.5
84.44714	0.5
151.81662	0.6
152.99585	9.0
168.04300	2.7
224.06891	8.4
227.03358	0.8
242.07953	2.4
255.23253	28.0
256.23569	3.0
269.24817	100.0
270.25146	5.6
271.55978	0.6
456.26797	0.6
483.27182	16.6
484.27448	1.9
494.32443	69.7
495.32776	5.4
509.27917	0.6
568.24835	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	569.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86924	1.1
59.01365	4.4
61.98820	4.2
63.62163	0.9
69.03470	1.1
69.28692	9.3
69.69065	0.9
71.01377	3.6
72.99297	1.2
75.00905	1.3
80.01294	0.9
81.24857	1.0
82.65996	1.0
82.77832	0.9
85.02940	1.5
89.02441	3.0
96.95991	4.4
98.20634	1.8
101.02456	2.2
108.02153	3.2
109.02950	10.0
110.03307	1.2
115.00372	1.2
119.03506	1.1
121.02925	1.9
122.03735	1.6
123.04500	5.3
124.01593	0.9
133.02931	7.1
134.03735	10.8
135.04510	34.2
136.01656	1.5
137.02455	4.7
139.03975	3.4
149.02461	2.3
149.98593	0.9
150.03207	5.3
151.00357	2.2
151.03929	2.1
151.05118	1.1
153.01894	9.2
154.02281	3.0
155.02455	1.7
161.02441	4.3
161.04436	1.4
163.03987	1.0
164.04735	1.4
165.05565	4.7
167.01668	4.3
178.02748	1.7
179.03468	44.7
181.05188	0.9
193.05019	3.3
195.02977	2.3
195.06621	1.3
207.06618	2.1
211.04018	6.0
213.05545	1.5
228.04228	2.1
229.05045	4.1
239.03468	10.5
240.04208	2.5
256.03705	3.0
257.04507	20.5
258.04886	1.7
271.06097	14.3
272.06839	23.5
273.07080	1.1
283.09702	2.6
285.11203	3.1
286.08420	11.1
287.09210	100.0
288.09549	7.4
299.13007	1.1
319.02719	1.7
325.11249	1.7
330.14017	1.8
343.12579	1.2
371.11295	95.6
372.11630	6.1
433.16519	3.7
449.14554	3.1
477.15704	1.2
481.08292	1.2
530.48712	1.0
533.16504	13.9
534.16821	1.1
555.08423	0.9
569.09070	1.7
569.17480	11.8
569.24823	2.5
587.38367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48108	1.1
55.01868	1.2
57.03429	1.6
58.00586	4.4
59.01374	100.0
60.99312	6.8
66.76376	0.9
67.01894	6.2
68.99811	17.8
69.03095	1.8
69.03447	20.4
70.06978	1.1
70.35499	3.5
71.01376	62.3
72.99288	4.6
73.02930	3.6
75.00867	1.3
78.95881	1.4
83.01371	4.1
85.02943	13.4
87.00859	4.8
88.98804	43.1
89.02436	90.3
93.03426	2.4
95.01379	6.1
95.05013	15.6
99.00869	6.3
99.04486	1.6
101.02433	64.0
108.74309	1.1
109.02929	2.4
111.00861	8.7
111.04575	1.0
113.01688	1.8
113.02444	29.4
119.03487	42.4
119.04975	3.3
121.02120	1.7
121.02939	21.6
123.04514	2.6
125.02402	2.8
127.04021	9.0
131.03458	3.7
135.04501	2.9
137.05008	1.0
137.06053	2.0
139.00374	10.7
139.03979	6.8
143.03497	10.0
147.04504	3.4
149.02408	3.7
149.04530	3.9
153.05518	3.8
161.02419	2.5
161.04541	9.1
163.04025	2.0
165.01917	3.6
165.05528	3.3
171.02950	4.5
179.03413	2.2
179.05608	20.0
179.07088	2.9
181.05013	2.8
181.12314	1.0
191.03441	1.4
197.08122	5.0
209.04388	1.5
223.06084	38.4
224.06464	1.2
225.11198	1.6
241.07074	2.8
261.07751	1.4
287.09103	3.5
293.06677	1.6
347.17081	11.7
359.13541	1.8
371.10184	4.1
403.12454	8.6
407.18771	1.4
509.22333	16.7
510.22742	1.2
569.15076	6.7
569.23657	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	569.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78948	1.1
57.03450	1.0
58.00579	3.2
59.01371	100.0
60.99299	9.6
61.98833	0.8
67.01894	4.9
68.99811	18.4
69.03446	21.9
69.34145	7.6
71.01375	62.2
72.99293	5.1
73.02943	2.2
78.95898	1.1
83.01372	3.8
85.02953	9.8
87.00847	4.7
88.98798	58.0
89.02434	96.9
93.03459	2.1
95.01381	5.0
95.05013	15.7
99.00868	4.6
101.02433	62.6
109.02968	1.6
111.00874	7.5
113.02436	26.4
119.02623	2.0
119.03488	41.0
119.04932	2.3
121.02940	22.4
123.04501	4.6
125.02433	2.9
127.04003	8.0
131.03477	5.1
135.04475	2.6
137.06126	2.2
139.00327	9.4
139.03983	5.5
140.00813	0.9
143.03477	9.2
147.04482	1.6
149.02394	3.8
149.04503	4.8
153.05556	4.1
161.04567	7.6
161.05771	1.4
163.03987	2.2
165.01930	3.4
165.05528	4.2
171.02930	4.8
179.03496	2.9
179.05598	24.6
179.07092	2.6
181.05072	3.0
191.03490	1.9
197.08249	4.3
207.58633	1.0
209.04494	1.6
223.06087	43.3
224.06468	2.4
241.07143	3.6
287.09122	4.6
293.06525	2.9
347.17075	4.8
359.13208	1.8
371.10861	5.0
389.34146	1.0
403.12509	7.4
407.18756	1.6
422.77060	0.9
509.22147	7.6
569.15057	7.2
569.23981	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	569.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52333	5.8
59.12877	6.0
66.30927	6.5
69.03429	12.4
69.33138	58.4
74.86059	6.0
120.73754	5.9
126.68137	6.9
134.03743	14.0
135.69168	6.8
148.56812	6.5
153.09195	56.3
167.58429	7.3
180.58420	7.2
193.05003	10.4
197.08136	100.0
215.09282	9.9
287.05453	7.9
392.74039	7.0
421.27573	10.3
501.57584	6.9
563.19983	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	569.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
59.01101	2.9
59.01377	64.3
61.98817	11.4
69.03448	100.0
71.01374	17.2
71.62946	2.9
72.99283	5.5
73.02924	3.8
85.02947	4.2
88.98772	3.2
89.02453	17.2
93.03403	2.6
95.01366	2.8
95.05023	23.5
101.02432	11.5
106.04250	5.2
111.00842	3.1
111.31207	2.0
113.02454	12.1
117.03435	4.5
119.03454	6.3
119.04983	2.9
121.02962	12.0
121.06570	46.8
123.04473	6.8
123.08108	2.7
133.02917	3.1
133.10164	3.9
134.03716	11.2
134.05275	2.3
134.16241	2.0
135.04449	6.1
135.08109	9.0
139.00301	7.3
139.07626	7.6
145.02919	14.5
149.09663	2.0
153.09195	66.6
160.01585	4.6
161.02379	6.7
165.05533	20.7
167.10724	7.6
175.04019	10.9
177.09169	13.5
179.03452	3.4
179.05424	2.5
183.06581	8.0
183.10104	2.2
193.04997	12.2
195.10220	8.8
197.08163	67.0
198.08389	2.2
209.04460	8.3
215.09178	6.9
221.08064	3.7
239.09258	2.5
242.93956	2.4
262.66202	2.5
268.03690	4.1
269.10287	3.3
299.11176	6.0
311.20551	2.1
335.07626	3.3
343.32776	2.0
345.11810	42.7
359.13403	4.6
370.09164	2.3
389.10788	10.3
481.20468	4.3
525.19873	16.7
531.22040	4.7
533.23566	8.4
550.96045	2.5
569.18481	78.8
570.18652	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	569.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.6
58.00581	3.7
59.01369	94.0
61.98810	7.5
67.01877	5.0
68.99811	13.9
69.03448	23.1
69.38361	9.2
69.38776	3.2
71.01369	49.9
72.99296	4.4
73.02937	3.4
75.00890	1.5
83.01399	1.9
85.02928	10.0
87.00859	12.1
88.98784	4.3
89.02428	56.9
93.03449	1.9
95.01368	6.2
95.04403	2.0
95.05011	38.7
96.27180	1.2
99.00860	5.2
99.04528	1.3
101.02428	44.0
111.00859	16.8
113.01691	1.6
113.02435	22.4
119.03484	23.1
119.04981	3.7
121.02943	18.2
121.06572	3.8
122.23695	1.2
123.04518	6.3
125.02508	1.4
125.09666	1.5
125.85423	1.4
127.03982	11.0
131.03444	2.7
133.02910	2.6
134.03717	7.1
135.04507	22.5
137.02441	2.5
137.06029	2.2
139.00346	12.2
139.03989	16.8
141.01880	1.6
141.09158	2.7
143.03459	5.3
145.02907	2.1
147.04512	7.7
149.02409	19.4
149.04417	2.1
149.06039	4.5
151.04041	6.2
153.05531	5.7
153.09184	78.4
154.09526	2.5
160.01601	1.8
161.02394	8.9
161.04506	6.2
163.03915	5.7
165.05501	5.3
171.10260	1.7
171.31946	1.4
175.03929	2.0
177.05600	3.2
178.02713	3.3
179.03458	23.6
179.05560	19.3
179.07013	2.5
181.04985	4.0
181.99777	1.3
183.06609	1.4
191.03433	1.9
193.05011	10.8
197.08150	100.0
198.08354	2.2
203.03506	1.5
207.06490	1.3
209.04462	5.2
211.07510	2.3
215.03403	1.5
215.09195	26.7
217.05083	1.5
221.04388	2.6
223.06075	27.6
224.06387	1.4
225.07582	2.1
265.07086	4.0
277.07169	4.9
284.03217	1.7
285.03833	5.2
286.04147	5.3
287.04587	3.6
305.06479	5.2
305.10150	34.2
306.10590	2.1
321.06104	14.7
337.09262	36.9
338.09497	2.9
345.11774	3.7
357.09738	2.2
359.14233	2.0
371.09845	2.3
375.10693	6.7
380.27240	1.5
389.10797	2.7
403.12561	9.3
407.13358	19.8
519.14862	4.0
537.16321	2.8
551.17877	4.1
569.11450	5.7
569.18640	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	569.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03432	1.4
58.00586	1.2
59.01088	1.7
59.01373	26.5
67.27212	0.8
69.03447	1.2
71.01371	20.4
71.62561	1.2
72.99288	1.3
73.02938	3.7
75.00854	0.9
79.05527	1.1
81.03433	0.9
83.01370	1.8
85.02949	7.8
85.03407	1.4
87.00836	1.2
89.02431	12.9
89.03963	1.3
95.01365	2.0
95.08646	2.8
97.06558	1.2
99.00888	1.3
101.02437	14.9
104.40966	0.8
107.05000	1.0
107.08652	2.1
109.06516	0.9
109.10052	0.8
111.00848	1.6
111.36211	0.8
113.02444	8.7
117.03445	6.5
117.44018	0.8
119.03512	5.0
119.05020	0.9
121.06550	3.4
123.04507	5.2
125.02401	1.1
125.09694	3.6
132.02142	10.3
133.02960	11.6
134.03723	76.6
135.04529	5.8
135.76649	1.1
137.02396	1.7
139.07640	11.7
147.04469	3.3
148.05280	1.7
149.06073	9.6
151.04002	5.2
151.07623	81.5
152.07954	1.9
153.05566	1.1
157.08690	2.6
158.03699	1.5
160.01634	55.1
161.02426	33.7
161.04462	2.2
163.04010	0.9
163.07703	1.1
165.05516	2.7
169.08679	3.5
174.03047	0.9
175.03975	67.5
176.04744	13.6
177.01923	3.3
177.05507	2.7
178.02686	4.1
179.03497	4.8
183.06601	18.0
191.07135	14.6
192.04323	1.3
193.05026	64.8
194.05363	1.4
195.06580	4.0
200.57600	0.8
201.07672	1.1
207.06595	4.5
209.04451	2.0
213.07652	28.5
217.04999	1.1
218.53796	0.8
219.98003	1.0
220.03717	2.8
221.00874	1.3
221.04568	1.1
229.77782	0.8
235.06056	31.5
251.05466	1.2
265.07114	11.4
281.06570	1.0
295.08194	16.8
331.08176	1.1
331.14005	3.4
341.08707	1.5
349.14966	1.7
355.10269	10.1
357.12103	1.1
363.12991	13.2
375.12958	10.8
393.13959	34.5
393.19131	1.9
394.14294	2.6
463.19589	2.9
481.07697	1.6
507.18634	20.2
508.18921	1.6
521.16406	2.0
525.19318	1.4
537.15070	1.1
539.17603	13.1
540.18176	1.6
542.14258	1.0
551.17493	26.9
552.17950	2.0
569.18634	100.0
570.18854	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	569.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03432	1.4
58.00586	1.2
59.01088	1.7
59.01373	26.5
67.27212	0.8
69.03447	1.2
71.01371	20.4
71.62561	1.2
72.99288	1.3
73.02938	3.7
75.00854	0.9
79.05527	1.1
81.03433	0.9
83.01370	1.8
85.02949	7.8
85.03407	1.4
87.00836	1.2
89.02431	12.9
89.03963	1.3
95.01365	2.0
95.08646	2.8
97.06558	1.2
99.00888	1.3
101.02437	14.9
104.40966	0.8
107.05000	1.0
107.08652	2.1
109.06516	0.9
109.10052	0.8
111.00848	1.6
111.36211	0.8
113.02444	8.7
117.03445	6.5
117.44018	0.8
119.03512	5.0
119.05020	0.9
121.06550	3.4
123.04507	5.2
125.02401	1.1
125.09694	3.6
132.02142	10.3
133.02960	11.6
134.03723	76.6
135.04529	5.8
135.76649	1.1
137.02396	1.7
139.07640	11.7
147.04469	3.3
148.05280	1.7
149.06073	9.6
151.04002	5.2
151.07623	81.5
152.07954	1.9
153.05566	1.1
157.08690	2.6
158.03699	1.5
160.01634	55.1
161.02426	33.7
161.04462	2.2
163.04010	0.9
163.07703	1.1
165.05516	2.7
169.08679	3.5
174.03047	0.9
175.03975	67.5
176.04744	13.6
177.01923	3.3
177.05507	2.7
178.02686	4.1
179.03497	4.8
183.06601	18.0
191.07135	14.6
192.04323	1.3
193.05026	64.8
194.05363	1.4
195.06580	4.0
200.57600	0.8
201.07672	1.1
207.06595	4.5
209.04451	2.0
213.07652	28.5
217.04999	1.1
218.53796	0.8
219.98003	1.0
220.03717	2.8
221.00874	1.3
221.04568	1.1
229.77782	0.8
235.06056	31.5
251.05466	1.2
265.07114	11.4
281.06570	1.0
295.08194	16.8
331.08176	1.1
331.14005	3.4
341.08707	1.5
349.14966	1.7
355.10269	10.1
357.12103	1.1
363.12991	13.2
375.12958	10.8
393.13959	34.5
393.19131	1.9
394.14294	2.6
463.19589	2.9
481.07697	1.6
507.18634	20.2
508.18921	1.6
521.16406	2.0
525.19318	1.4
537.15070	1.1
539.17603	13.1
540.18176	1.6
542.14258	1.0
551.17493	26.9
552.17950	2.0
569.18634	100.0
570.18854	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	569.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12354	1.0
55.01850	1.5
57.03426	1.8
59.01365	14.0
61.98832	8.4
62.72328	1.0
68.60915	0.9
69.03443	1.6
69.80138	5.0
69.80566	1.9
71.01378	8.0
73.02951	1.3
77.60366	1.1
85.02945	8.4
88.98779	2.7
89.02438	8.3
92.40668	1.1
93.03439	1.2
95.04984	1.1
95.08627	1.3
95.95274	1.2
99.04470	2.0
101.02453	5.5
107.08663	10.5
111.00838	1.6
111.08154	7.5
113.02400	4.2
117.03389	2.2
119.03488	3.0
121.02892	1.9
123.04471	3.2
125.09694	3.4
129.01831	1.9
132.02115	2.3
133.02937	7.8
134.03729	24.1
135.04552	7.4
136.01572	1.8
136.04758	1.3
137.02364	3.0
138.85286	1.2
139.07639	47.4
148.05217	1.3
149.02356	2.8
149.06055	2.5
150.03218	7.6
151.03835	1.8
151.06529	1.7
151.07632	23.4
160.01640	13.8
161.02431	22.5
161.04457	2.0
162.02716	2.4
163.03972	2.2
165.05551	7.4
169.08684	5.9
175.03973	17.0
176.04758	2.7
177.01956	1.9
177.05487	1.8
178.02686	1.6
179.03407	6.9
183.06537	4.0
191.07146	6.7
193.05042	22.5
195.06596	6.4
213.07660	100.0
214.07909	2.2
220.03677	1.6
223.06020	2.4
224.14963	1.2
235.06044	10.2
265.07040	3.4
295.08029	5.1
301.10843	1.0
323.07599	3.8
355.10135	2.9
363.12781	2.6
375.12814	3.0
384.81998	1.2
393.14035	9.4
452.05334	1.2
507.18680	5.5
518.16602	1.4
521.20081	4.2
533.16473	6.8
539.17426	4.7
551.17578	7.0
552.17371	1.4
566.54437	1.3
569.18420	38.6
570.18781	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	569.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03439	0.3
58.00585	0.3
59.01372	7.6
61.98824	0.7
68.99816	0.2
69.03452	0.2
69.27335	1.6
71.01374	5.2
72.99308	0.4
73.02940	0.7
75.48955	0.1
77.03964	0.2
83.01373	0.3
84.32664	0.1
85.02946	3.7
88.98817	0.6
89.02438	3.7
89.03944	0.3
90.14958	0.1
95.01383	1.2
96.95956	0.1
101.02431	1.9
101.84482	0.1
103.03978	0.2
104.02716	0.2
105.03432	0.6
105.04092	0.1
113.02441	6.1
115.01910	0.3
117.03474	1.6
119.03490	1.0
119.05015	0.2
120.51148	0.1
121.02932	0.2
123.04527	0.3
127.03989	0.2
132.02151	2.0
133.02945	28.4
134.03802	1.6
135.04515	3.7
145.02946	0.5
149.06029	0.2
153.09171	1.3
160.01634	0.4
161.02434	100.0
162.02776	2.8
175.04024	0.7
179.03485	1.7
183.10213	0.2
193.05035	1.9
197.08194	2.1
207.33749	0.2
214.63344	0.2
215.09209	0.2
407.19116	0.9
484.25568	0.2
488.16809	0.2
533.23749	0.3
569.22266	40.8
570.22644	3.8
577.68201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73810	0.2
57.03433	0.5
58.00580	0.4
59.01373	8.0
59.84142	0.2
61.98831	0.7
67.47963	0.2
69.26244	1.8
71.01375	5.3
72.99337	0.3
73.02956	0.7
77.03997	0.2
83.01372	0.2
85.02944	3.9
87.00059	0.2
87.00871	0.3
88.98796	0.5
89.02438	3.4
89.03992	0.2
95.01365	1.3
99.00866	0.2
99.04522	0.2
101.02425	1.8
105.03449	0.7
107.05080	0.2
109.02913	0.2
113.02438	6.6
117.03474	1.3
119.03487	0.9
121.02922	0.2
123.04513	0.3
132.02144	1.4
133.02946	29.7
134.03668	1.8
135.04523	4.7
143.03529	0.3
145.02946	0.4
153.09169	1.0
160.01590	0.4
161.02431	100.0
162.02766	2.5
175.04034	0.3
179.03500	2.1
179.05026	0.2
179.05647	0.2
193.05031	1.7
197.08130	1.1
219.71288	0.2
407.19250	1.0
412.06143	0.2
531.28168	0.3
569.22272	40.4
570.22681	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	569.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98240	0.3
58.00298	0.2
59.01372	5.8
60.01685	0.2
61.22323	0.3
61.98821	4.2
69.48771	1.9
71.01374	4.1
72.99313	0.3
73.02947	1.1
83.01401	0.4
85.02942	1.7
89.02431	4.0
89.03963	1.3
95.01376	0.5
98.20679	0.5
99.00880	0.9
101.02444	1.6
106.04253	0.4
113.02442	2.5
113.18168	0.3
117.03453	4.9
119.03551	0.3
131.03450	0.3
132.02153	3.6
133.02946	7.0
134.03725	78.3
135.04411	1.6
135.05431	0.4
137.02411	0.4
143.03415	0.3
149.04457	0.4
149.04755	0.3
149.06062	6.8
153.09184	0.3
160.01630	12.5
161.02425	19.5
162.02734	0.6
162.36426	0.3
165.05583	0.3
175.03976	10.4
176.04369	0.4
178.02673	0.5
179.03497	1.2
183.10197	0.8
193.05028	100.0
194.05353	2.9
196.06926	0.3
197.08186	0.6
251.05637	0.4
341.08548	0.5
423.16278	0.4
462.98047	0.3
531.28113	0.7
569.22217	23.1
570.22504	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	569.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.8
58.02973	7.8
59.01368	12.8
61.98830	5.6
64.44160	0.9
70.02988	0.8
70.92973	1.3
70.93337	1.8
71.01379	7.4
74.00707	0.9
74.02467	10.4
78.91885	5.3
78.95846	1.2
80.91672	28.2
80.92157	1.4
82.02975	1.8
83.01379	3.2
83.04991	0.9
85.02924	3.6
85.04061	0.8
87.00839	1.2
87.05610	2.9
88.98793	2.4
89.02422	3.9
93.03403	1.2
95.01368	0.9
96.04533	7.6
96.95990	3.1
97.04063	7.6
98.02453	4.1
99.05642	10.8
100.00401	5.2
101.02435	4.8
108.04562	6.3
109.04067	1.7
110.02454	2.8
111.03231	1.0
112.04031	8.5
112.07672	8.4
113.02413	2.5
113.03542	3.9
114.05634	0.9
119.05035	1.1
122.06085	3.4
124.04030	8.1
125.02442	1.3
125.03516	3.3
125.04795	4.3
125.68308	0.8
126.05615	2.0
127.05139	9.2
127.08765	0.9
131.03458	0.9
137.07164	4.6
138.05573	1.9
139.08702	0.9
140.07173	13.5
143.04565	1.8
149.04529	1.5
152.03502	4.8
153.06664	1.1
155.08247	24.4
158.02802	1.7
161.02434	1.0
161.04515	0.8
165.06671	16.4
166.05022	2.1
173.04578	1.7
177.01880	1.3
177.03395	1.0
181.06209	1.0
183.07722	40.1
191.05530	1.4
199.00011	1.3
209.05586	1.6
215.06700	1.2
221.11908	0.9
225.05090	3.0
227.06694	100.0
228.06898	1.9
245.19174	1.1
259.03940	1.4
261.05447	27.2
275.20282	1.0
287.22214	7.7
289.18073	2.1
307.19360	0.9
341.17764	3.8
355.34134	1.0
363.23624	1.0
434.11417	0.9
437.19794	1.5
569.25043	14.4
570.25433	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08989	0.7
58.02961	5.9
59.01369	7.1
60.99308	0.9
61.98825	4.3
70.02942	1.2
70.42940	0.7
71.01371	2.3
71.61582	1.1
72.99297	1.2
73.02926	0.7
74.02464	11.3
75.02853	0.9
78.91868	1.6
78.95890	1.0
80.05018	0.7
80.91670	7.7
81.03461	0.8
82.02953	2.0
83.01383	2.6
83.05004	1.6
85.02944	1.5
86.04372	0.7
86.06096	1.1
87.05623	3.6
87.25876	0.7
88.98782	1.5
89.02406	1.4
91.81056	0.7
96.04558	7.0
96.96000	2.8
97.04060	7.1
97.67033	0.8
98.02473	4.6
99.05631	11.0
100.00409	4.4
101.02415	3.0
108.04554	8.0
109.04063	2.5
110.02458	2.7
111.03271	1.3
112.04025	9.7
112.07664	8.5
112.29228	0.8
113.02419	1.4
113.03570	4.6
119.03438	0.9
119.20121	0.8
122.06090	3.7
124.04025	8.2
125.03535	2.4
125.04807	3.1
126.05593	1.8
127.05117	8.9
127.08774	0.9
133.02844	1.1
135.04535	0.9
137.07181	5.0
138.05573	1.6
139.08768	1.4
140.07162	14.6
142.03287	1.0
143.04585	2.0
146.41136	0.8
150.04303	1.3
152.03500	3.5
155.08243	22.1
158.02806	1.6
160.00745	0.8
161.02412	1.7
165.06659	16.7
166.05043	1.9
166.06924	0.7
173.04578	3.4
179.03566	1.0
181.06133	1.6
183.07722	36.8
197.05713	0.8
209.05612	1.8
225.05130	2.7
227.06691	100.0
228.06969	2.6
245.18895	1.3
259.03976	1.1
261.05469	34.3
262.05719	1.3
289.18073	1.5
307.19141	2.2
341.17844	3.6
423.16479	1.3
533.25409	1.1
569.25073	16.4
570.25409	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2568
Annotation	artoindonesianin A
Peak:m/z	Relative Intensity
53.89543	0.7
55.04071	0.6
58.25591	0.7
61.98824	5.8
64.86097	0.6
69.32895	5.2
78.95887	1.8
96.96927	0.9
99.92570	14.5
100.92641	0.6
100.93353	4.7
104.01443	0.6
115.92062	100.0
116.92070	2.6
116.92880	3.5
129.52875	0.7
132.92371	0.7
135.06221	0.6
152.99580	2.1
163.26355	0.6
255.23308	2.2
256.23605	5.0
317.86487	0.7
418.52304	0.8
421.05396	0.7
469.32932	3.5
471.33838	1.4
484.27905	3.6
569.25671	78.4
570.25879	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	569.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
61.98822	1.4
62.81378	0.5
68.34376	0.5
69.69307	2.9
72.02709	0.5
72.28168	0.5
78.95895	58.9
85.64297	0.4
96.96956	13.8
98.20613	0.7
150.98003	1.0
152.99570	86.9
153.99866	0.6
161.12477	0.6
171.00597	2.7
191.23079	0.5
223.00095	9.0
241.01149	23.3
253.21689	72.4
254.21950	3.6
259.02191	1.1
279.10681	0.6
315.04846	12.7
333.05801	0.7
569.27228	100.0
570.27612	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	569.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
59.01676	5.0
61.98816	7.6
71.01377	32.5
73.02936	35.6
78.91872	43.1
78.95892	3.7
83.01396	7.4
83.28202	2.2
85.02928	10.8
89.02410	12.2
95.01395	2.8
100.00416	2.9
101.02434	29.0
101.03103	3.6
113.02433	23.1
119.03491	6.4
121.70860	2.3
130.74799	2.1
149.04485	3.1
155.08189	2.3
161.04512	10.3
161.76834	2.3
179.05609	2.9
181.17596	2.5
227.06686	8.1
249.29385	2.2
261.05237	4.0
360.46094	2.3
405.33304	2.5
465.28406	8.5
483.29724	5.2
569.24457	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	569.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
59.01373	100.0
61.98824	3.1
62.58001	0.7
64.59966	0.7
69.36409	3.1
69.36838	2.8
71.01371	12.3
73.02946	2.8
75.00875	0.9
83.01398	2.3
85.02938	8.7
89.02448	2.0
93.44540	0.7
95.01404	1.0
96.96011	1.9
99.00893	2.3
101.02439	6.7
112.07770	0.8
113.02422	8.1
115.27169	0.7
117.03409	0.7
125.02450	1.3
143.03467	0.8
145.02985	0.9
150.87662	0.7
161.04539	3.8
179.92566	0.8
211.06918	0.7
227.06633	1.9
247.75525	0.8
261.05478	1.4
287.36316	0.8
321.24316	1.5
382.65363	0.8
465.28510	25.9
466.29251	2.0
483.29507	17.0
484.29950	2.1
487.34134	8.3
488.34668	0.7
507.29831	1.2
519.39087	0.8
525.31000	1.0
569.34662	4.2
591.25793	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82937	0.3
56.90527	0.2
57.75003	0.2
59.01372	100.0
60.01714	0.5
61.98822	2.4
69.06729	0.3
70.10197	0.4
70.10590	0.8
70.25711	0.2
71.01379	1.2
73.02946	0.3
78.95894	0.7
85.02919	0.5
89.02447	0.5
96.96001	1.6
101.02446	0.6
113.02448	0.9
152.99535	0.6
161.04515	0.6
177.25523	0.2
199.94780	0.2
278.59113	0.3
405.26410	2.3
449.28891	0.6
452.35675	0.3
467.30173	0.8
469.33243	0.8
487.34152	5.2
488.34268	0.4
569.34412	6.1
570.35187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60995	0.7
59.01373	78.5
61.98826	4.2
71.01382	1.3
71.05016	1.5
71.62215	0.9
78.95889	1.0
96.96008	0.9
101.02383	0.9
108.24328	0.7
112.98368	0.6
113.02401	1.3
115.00318	1.0
127.00385	0.7
152.99557	1.7
161.04451	0.8
175.02429	1.5
293.24258	0.8
407.33087	1.1
423.32385	1.3
425.33972	1.3
427.32135	2.2
439.32220	0.9
443.35480	1.3
467.30847	2.9
469.33154	22.9
470.33615	2.0
487.34238	73.5
488.34714	8.0
569.34515	100.0
570.34967	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	569.345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63102	0.5
55.36578	0.7
58.49571	0.5
59.01361	1.9
59.72038	0.5
61.98552	0.6
61.98826	5.2
68.99573	0.6
69.86863	0.7
69.87136	2.8
71.01337	0.5
71.05022	1.4
75.00840	0.9
76.78098	0.5
80.91653	1.1
90.41631	0.5
92.25632	0.6
96.95984	1.4
98.19881	0.7
117.02022	0.5
153.16501	0.6
164.86105	0.8
172.13890	0.6
183.00871	0.5
230.59062	0.7
348.54428	0.5
393.31476	1.2
394.11078	0.5
405.31430	1.3
427.31982	1.1
435.29025	0.7
437.30563	3.0
443.34961	0.6
455.31921	0.6
468.90955	0.5
469.33456	14.3
470.33493	1.0
487.34210	97.3
488.34540	10.5
498.84360	0.6
509.29138	0.8
569.34497	100.0
570.34906	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	571.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67609	16.1
59.01369	42.0
61.98809	41.2
64.06121	15.8
71.01359	22.3
89.02470	16.0
96.96011	51.4
98.20737	23.8
98.21320	14.1
102.28583	13.5
108.46169	14.2
128.18318	14.7
135.04518	16.9
150.03195	49.6
151.03972	35.4
161.02374	15.8
163.03929	24.6
165.05534	54.6
189.03926	17.1
189.05539	19.1
195.06636	43.3
230.63857	19.9
253.03107	16.2
262.42880	16.2
277.46323	15.0
297.11279	22.4
299.09027	19.6
313.10736	31.8
321.92444	15.1
327.12170	24.2
343.11853	46.8
373.12894	100.0
505.18991	21.8
535.18225	63.5
571.15900	34.7
571.24451	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	571.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61564	1.6
58.92622	1.4
59.01093	3.3
59.01371	41.5
61.98818	10.5
67.01866	2.8
69.03444	77.2
70.93566	5.0
71.01383	9.0
71.05048	1.9
71.72035	1.6
72.99290	3.1
73.02925	2.5
82.79607	1.6
83.01395	1.7
85.02914	5.1
87.00876	2.1
89.02416	7.5
92.96088	1.6
93.03407	4.1
95.01381	1.8
95.05022	18.8
101.02415	9.9
105.01905	2.1
106.04192	4.6
111.00833	3.2
113.02423	7.9
116.92856	13.6
119.04984	3.3
121.02925	7.6
121.06581	24.4
123.04516	5.9
132.91920	1.7
133.02933	9.5
134.03714	1.9
135.04471	7.4
135.08173	3.6
136.01659	2.4
136.52600	1.8
137.02403	2.1
137.08730	2.9
137.09708	37.2
139.00368	10.0
139.04008	2.4
139.07591	8.6
146.65427	1.9
149.02393	2.1
151.03952	2.6
153.05516	1.9
153.09190	3.8
155.10756	88.5
156.11021	2.1
160.01645	3.3
160.29228	1.7
161.02409	38.7
162.02705	3.4
163.04056	3.0
165.05537	12.7
173.04480	3.3
175.03958	2.2
179.03410	5.2
181.08679	13.2
183.06561	3.7
193.05046	4.4
197.08163	4.8
199.07959	3.0
199.09734	55.9
199.11559	3.9
209.04599	8.4
223.09656	2.0
241.10718	15.3
245.91585	1.8
265.10733	2.0
271.11719	2.4
285.03699	2.3
301.12915	8.6
345.11856	6.4
358.14108	1.9
361.14948	10.1
413.17780	2.4
526.03070	1.8
527.21222	59.8
528.21533	5.9
528.37177	1.7
533.23767	31.7
534.23792	2.8
535.24188	7.2
553.19116	6.4
571.20135	100.0
572.20673	12.9
582.75549	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	571.2026
Annotation	omubioside
Peak:m/z	Relative Intensity
52.45415	0.8
58.00600	0.9
59.01377	13.0
59.02636	0.7
68.10693	0.7
71.01369	8.5
73.02937	1.1
79.05531	4.2
83.01358	1.8
85.02950	4.0
87.00863	0.9
89.02425	7.1
91.20985	0.8
95.01392	1.7
95.05022	0.9
96.96004	1.4
97.02931	3.6
99.00815	0.8
99.04498	2.3
101.02435	4.4
105.07072	1.2
107.05014	2.2
109.06578	2.3
111.04486	1.3
113.02433	9.0
119.03490	2.4
119.05074	0.8
125.06069	2.8
129.07054	2.3
133.06549	2.1
135.04506	1.1
143.08667	5.1
151.03935	1.4
157.10226	1.9
159.11772	28.0
161.04515	1.4
170.07341	1.8
175.07489	1.0
179.05608	1.8
183.08125	1.6
183.11790	2.3
185.09695	6.9
187.11314	1.1
199.11232	1.4
201.12863	5.2
203.10739	32.3
217.12309	2.4
227.10718	3.7
245.11852	3.9
247.09720	100.0
248.10097	5.2
289.10788	7.5
296.05753	0.8
319.11749	1.1
349.12814	6.0
409.09851	1.2
409.14999	18.4
410.15192	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	571.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.5
59.01092	0.9
59.01371	14.1
60.15110	0.5
60.21042	0.5
61.98814	0.7
69.03442	1.8
69.24999	5.3
71.01371	9.1
72.99293	1.0
73.02938	1.0
73.75602	0.5
79.05524	4.5
82.12595	0.5
83.01360	1.5
83.05021	0.6
85.02931	4.5
89.02435	6.8
91.05528	0.9
93.03450	1.0
95.01391	1.7
95.05031	0.8
96.96001	2.4
97.02943	3.3
98.19878	1.0
99.04530	1.5
101.02426	4.7
105.07068	1.2
107.05019	2.2
109.06573	2.5
111.04502	1.5
113.02432	9.4
119.03516	2.8
120.49946	0.6
121.06567	0.8
123.04507	0.8
123.31157	0.5
125.06059	2.7
129.07094	2.9
133.02917	0.9
133.06602	2.1
135.04485	0.9
137.06046	0.9
143.08617	5.1
145.06633	0.7
147.08139	0.8
151.03970	1.1
155.03529	0.8
157.06615	0.6
157.10178	2.3
159.11774	25.4
161.02405	1.1
161.04532	2.5
163.03932	0.6
165.57875	0.5
170.07419	2.6
173.13356	0.5
179.03551	0.6
179.05646	1.5
183.08151	0.7
183.11732	2.7
185.09665	6.2
187.11238	1.4
199.11284	1.0
201.12819	4.5
203.10745	32.5
204.11050	1.0
217.12311	2.0
227.10725	3.4
245.11810	4.1
247.09705	100.0
248.10063	4.5
257.11630	0.7
261.11136	0.6
271.09695	0.7
289.10757	7.8
301.10690	0.7
319.11710	1.6
349.12930	5.2
409.14935	19.9
410.15262	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	571.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56573	2.1
59.01368	7.7
65.14619	2.1
69.03420	2.2
71.01357	4.2
71.62936	2.5
89.02404	2.5
93.03410	3.7
96.95995	5.2
101.02399	3.0
108.02189	2.2
121.02922	7.1
122.03716	8.8
123.04513	4.6
133.02950	4.7
134.03725	16.8
135.04480	11.1
136.01628	7.3
145.02950	3.4
146.03725	47.9
147.04414	4.7
149.02423	38.2
149.06052	6.6
150.03217	45.3
151.03966	9.4
160.04036	3.0
161.02409	5.7
161.06088	15.9
163.03946	4.3
164.04759	45.5
165.05554	58.0
175.03952	10.6
176.04764	2.4
179.03455	5.9
179.07106	74.9
180.04219	12.2
190.06364	5.9
191.07092	5.1
192.04237	4.9
193.05035	12.1
195.06593	62.3
207.06520	7.1
245.42087	2.2
270.08868	4.8
274.76886	2.1
285.11212	6.5
297.07632	2.7
299.09302	3.1
327.12271	4.7
328.09445	8.6
343.11801	100.0
344.12006	6.6
354.49167	2.2
358.31836	2.2
373.12750	7.4
375.14316	3.1
391.13925	39.8
408.99609	2.0
433.05176	2.0
493.18790	3.1
523.19635	4.1
571.20844	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	571.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	6.9
59.94115	1.5
69.38266	15.6
69.85072	1.5
70.99142	2.0
71.01350	3.5
76.03800	1.8
89.02394	2.2
93.03458	3.0
96.95985	5.4
98.20554	4.3
100.86543	1.7
109.02940	1.7
113.02412	2.6
121.02940	7.7
122.03726	9.2
123.04505	4.8
132.02199	2.4
132.88470	1.8
133.02937	3.1
134.03749	11.1
135.04524	11.0
136.01622	7.3
137.02431	2.6
145.02908	3.4
146.03719	45.0
147.04451	5.8
149.02432	37.9
149.06068	5.3
150.03223	40.6
151.04007	8.7
160.03964	4.4
161.02411	6.7
161.06061	14.4
163.03938	3.2
164.03455	3.0
164.04776	46.6
165.05559	54.7
166.05923	2.2
175.02600	1.9
175.03940	9.9
175.07765	2.1
176.04681	3.4
179.03496	6.8
179.07111	65.2
180.04207	7.5
190.06313	6.1
191.07161	5.5
192.04291	3.5
193.05058	12.6
195.06606	66.0
196.06943	2.8
207.06598	4.9
215.31128	1.8
270.08932	7.4
285.11301	7.2
297.07645	1.9
299.09201	3.5
327.12527	5.4
328.09439	7.0
343.11810	100.0
344.12198	4.5
373.12878	8.1
375.14233	4.4
391.13907	41.5
392.14084	2.7
407.14346	2.0
475.16989	2.9
493.18362	5.4
523.19720	3.6
525.54254	2.1
535.17603	3.4
571.20349	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	571.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	2.6
59.01371	41.6
61.98810	3.4
62.23820	1.5
69.41889	14.3
69.66942	2.0
71.01366	9.6
73.02925	3.0
75.00893	1.9
78.95879	1.9
83.01360	1.9
85.02905	2.8
89.02409	2.7
89.38810	1.7
93.41087	1.8
101.02414	6.2
107.16984	1.8
113.02418	6.3
119.05014	3.1
135.02974	2.0
151.07610	3.9
153.73175	1.8
155.08267	1.9
161.02403	2.2
164.21342	1.6
183.07597	3.0
183.13829	7.9
195.06573	2.3
211.13359	100.0
212.13673	3.3
227.06685	7.6
247.17056	2.2
261.05466	12.6
288.37262	1.7
315.12375	2.2
360.51230	1.7
412.82452	2.0
422.03433	2.0
467.30014	4.2
502.27048	1.9
519.29071	5.7
537.50555	2.0
571.26062	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	571.2696
Annotation	Artoindonesianin U
Peak:m/z	Relative Intensity
61.98818	3.8
63.12507	0.6
64.08385	0.7
71.61720	1.1
74.82536	0.7
78.95895	22.0
84.86982	0.6
96.96962	5.0
99.92566	12.3
100.93348	4.5
115.92062	100.0
116.92061	3.1
116.92854	4.7
152.99564	28.6
171.00523	1.0
180.26257	0.7
195.75107	0.7
223.00075	3.1
241.01151	7.6
255.23238	20.0
272.73996	0.9
313.01224	0.9
315.04843	4.0
449.08920	0.8
471.34723	2.5
472.35422	1.1
473.35275	1.6
476.91589	0.7
536.04321	0.8
571.27625	99.2
572.27844	13.4
585.25287	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	571.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	3.6
78.95895	18.7
86.44621	0.7
96.95996	0.7
96.96947	4.5
99.92572	10.4
100.93356	4.3
109.61151	0.6
115.92062	100.0
116.92072	2.7
116.92856	4.8
128.90143	2.9
132.92314	1.4
138.95790	0.7
150.98067	1.0
152.99570	27.1
171.00510	0.8
221.19005	1.8
223.00102	2.0
241.01176	5.1
241.12138	0.5
253.21565	0.8
255.23267	16.6
265.18002	1.3
283.19196	1.3
287.22232	1.3
301.20102	1.1
315.04837	3.0
348.41769	0.7
471.34717	1.8
473.35181	0.9
553.25848	0.6
571.27600	94.8
571.42249	5.5
572.27832	12.3
585.24963	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11425	1.6
53.53181	1.7
55.01865	2.8
57.03425	2.5
59.01372	48.2
61.98820	31.6
64.26543	1.7
71.01373	55.4
71.60669	1.9
71.62711	2.6
73.02949	13.7
78.95900	3.9
83.01386	7.5
85.02948	14.5
89.02433	39.0
93.03438	2.8
95.01382	3.6
96.96002	55.5
97.02959	3.1
99.00871	15.5
101.02429	40.6
111.00851	2.4
113.02440	18.3
117.03461	4.1
119.03485	7.5
121.02962	2.6
125.02419	3.9
131.03468	10.1
134.03722	35.9
143.03465	2.5
149.04539	27.3
149.05913	2.6
155.03459	2.2
161.04587	6.6
179.05658	1.9
191.05580	6.2
193.05031	27.8
203.07710	1.6
235.13377	2.9
237.69327	1.8
251.07758	3.0
285.04037	5.5
286.24426	1.6
286.43747	1.7
335.09827	3.5
377.20010	10.2
379.21280	16.8
501.26758	1.7
511.25391	100.0
512.25806	9.5
571.25726	39.3
571.33795	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	571.2881
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
52.06131	0.6
54.44667	0.5
59.01369	4.3
61.48528	0.6
61.98821	1.0
69.20647	0.4
69.52528	3.2
78.95893	51.0
93.66515	0.5
96.96947	10.7
123.61842	0.5
134.98511	0.5
150.98042	0.5
152.79279	0.4
152.99573	49.6
223.00082	1.7
241.01151	28.3
242.01567	0.6
255.23245	69.5
256.23560	3.5
277.21722	2.2
315.04858	6.5
353.71866	0.5
391.22418	4.6
453.33246	0.7
571.28748	100.0
571.35815	4.6
572.29156	9.4
572.37634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.65002	0.8
57.03445	1.1
59.01371	100.0
61.98801	0.8
69.45693	6.4
71.01376	10.7
73.02927	3.6
79.92670	0.7
80.91661	3.7
83.01364	2.2
85.02937	6.4
87.04492	1.5
89.02431	1.0
89.67329	0.7
96.96001	3.7
99.00900	1.8
101.02422	5.9
104.30859	0.8
110.58273	0.8
113.02430	7.2
120.94250	0.8
159.03023	0.9
161.02434	1.1
161.04523	3.7
227.06793	1.0
261.05499	1.5
262.37265	0.8
278.23605	0.8
467.30093	22.1
468.30258	2.0
485.31210	10.0
511.24997	0.9
527.32251	1.7
550.13507	0.9
571.25690	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03428	1.4
59.01374	100.0
61.98816	5.5
69.03424	1.5
69.36348	8.3
71.01375	32.4
72.99285	1.3
73.02939	10.9
77.80131	1.1
77.87404	1.0
81.03415	1.1
83.01375	4.4
85.02954	13.7
87.00864	3.0
89.02433	14.6
95.01382	2.9
96.96004	10.0
97.02972	1.3
99.00870	3.4
101.02438	20.6
106.62022	1.0
113.02437	13.4
119.03482	3.3
125.02410	3.6
127.80656	1.1
131.03484	2.4
135.18321	1.0
143.03464	3.3
145.48636	1.2
149.04535	3.6
156.90787	1.0
159.02983	1.1
161.04543	16.6
164.15392	1.0
175.02405	1.5
183.07690	1.5
209.11708	1.4
217.15964	4.0
233.06599	1.2
261.05209	1.1
275.20203	4.9
285.20657	12.6
289.21570	1.0
293.08667	3.6
293.21249	1.8
379.21289	1.4
437.25308	20.2
438.25500	1.8
449.29028	3.5
455.26544	1.4
467.23788	2.0
467.30048	13.3
479.26282	4.1
485.31107	10.2
497.27399	2.5
510.99402	1.1
511.25397	3.7
512.25977	1.5
571.26239	1.5
571.34229	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	572.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71302	0.6
59.01366	8.6
60.23272	0.7
61.98821	100.0
71.61711	0.8
82.15007	0.5
83.05006	0.9
96.96029	0.7
125.09727	1.1
141.90750	0.6
187.09796	1.0
232.91188	0.6
301.98755	0.6
374.12268	0.6
407.72574	0.6
469.33398	2.9
487.34427	5.3
488.34012	0.8
490.35254	0.9
529.59216	0.7
572.31934	78.3
573.32312	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	573.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.5
59.01373	21.3
61.98815	5.0
67.01912	1.0
69.03446	3.6
69.26051	5.4
69.26468	2.5
71.01374	16.0
72.99307	2.3
73.02935	4.1
75.00867	1.4
81.03470	1.3
83.01379	2.1
85.02952	3.6
88.98775	1.4
89.02432	17.6
93.03455	1.3
95.01350	1.6
96.95966	1.3
97.02948	4.3
98.19891	1.6
99.00858	4.4
99.04481	1.0
101.02444	5.1
105.01929	3.7
107.01406	2.0
108.02151	7.9
109.02953	6.8
111.00894	1.6
113.02445	3.4
115.04041	1.1
118.25640	0.8
119.03458	0.9
119.04984	1.3
121.02977	2.0
124.16644	0.8
125.02420	11.9
131.03467	2.3
133.02975	1.4
135.00891	2.5
135.04486	2.3
137.02420	1.3
137.06114	0.8
139.03973	1.1
149.04504	2.9
152.01120	16.5
153.01958	8.7
153.09166	4.2
161.02444	5.6
161.04494	0.9
162.02779	1.8
163.04041	1.7
173.04520	1.0
179.03532	1.5
189.56694	0.9
191.05589	2.8
197.08119	4.9
210.17392	0.8
215.09058	1.0
233.06654	5.3
243.06511	1.8
269.04553	1.3
271.11893	1.0
285.03955	1.7
293.08734	19.9
399.23782	1.6
413.20602	0.9
429.10294	100.0
430.10648	6.0
445.76907	0.9
447.11328	5.4
537.15906	2.0
572.22729	1.2
573.13806	6.6
573.22980	1.7
574.14227	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.4
61.98830	4.9
65.03963	3.9
67.01884	1.9
67.27466	0.7
69.03446	3.8
71.01373	6.2
71.62684	1.3
73.02949	0.8
75.64535	0.7
79.05520	1.0
85.02935	1.7
87.04502	1.3
89.02430	4.9
91.01883	11.6
93.03468	1.5
93.45875	0.8
96.95993	4.2
97.02919	1.1
97.06584	1.3
97.30173	0.7
98.95570	1.3
99.04499	7.9
101.02429	3.7
109.02943	21.5
110.03288	1.2
111.04513	1.5
113.02441	37.4
113.06085	2.4
121.03059	1.0
123.04536	1.7
125.02448	2.0
125.09742	1.0
133.02966	1.4
134.03716	1.4
135.00873	41.3
135.04521	3.5
136.01253	0.7
141.05554	4.4
149.02538	1.0
150.03265	1.1
151.07652	2.5
153.01929	100.0
153.09201	83.3
154.02306	1.6
154.09587	1.3
161.02403	3.4
161.04488	1.2
163.04002	0.8
169.08617	1.0
173.04567	3.2
175.03905	1.1
179.03456	1.7
191.03600	0.9
191.57600	0.9
193.05072	2.6
195.06633	2.0
197.08171	81.5
198.08524	2.6
213.07631	7.6
223.06088	0.9
243.06575	2.1
255.08731	6.3
285.09732	5.9
293.08765	5.0
298.02853	0.9
311.09549	0.9
315.10812	24.0
375.12970	23.3
375.17917	1.0
375.24387	0.9
376.13379	0.9
399.19824	0.7
429.10324	37.8
429.16248	1.8
430.10663	3.5
537.16406	0.9
572.24634	1.4
573.21674	17.8
574.23065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.4
61.98830	4.9
65.03963	3.9
67.01884	1.9
67.27466	0.7
69.03446	3.8
71.01373	6.2
71.62684	1.3
73.02949	0.8
75.64535	0.7
79.05520	1.0
85.02935	1.7
87.04502	1.3
89.02430	4.9
91.01883	11.6
93.03468	1.5
93.45875	0.8
96.95993	4.2
97.02919	1.1
97.06584	1.3
97.30173	0.7
98.95570	1.3
99.04499	7.9
101.02429	3.7
109.02943	21.5
110.03288	1.2
111.04513	1.5
113.02441	37.4
113.06085	2.4
121.03059	1.0
123.04536	1.7
125.02448	2.0
125.09742	1.0
133.02966	1.4
134.03716	1.4
135.00873	41.3
135.04521	3.5
136.01253	0.7
141.05554	4.4
149.02538	1.0
150.03265	1.1
151.07652	2.5
153.01929	100.0
153.09201	83.3
154.02306	1.6
154.09587	1.3
161.02403	3.4
161.04488	1.2
163.04002	0.8
169.08617	1.0
173.04567	3.2
175.03905	1.1
179.03456	1.7
191.03600	0.9
191.57600	0.9
193.05072	2.6
195.06633	2.0
197.08171	81.5
198.08524	2.6
213.07631	7.6
223.06088	0.9
243.06575	2.1
255.08731	6.3
285.09732	5.9
293.08765	5.0
298.02853	0.9
311.09549	0.9
315.10812	24.0
375.12970	23.3
375.17917	1.0
375.24387	0.9
376.13379	0.9
399.19824	0.7
429.10324	37.8
429.16248	1.8
430.10663	3.5
537.16406	0.9
572.24634	1.4
573.21674	17.8
574.23065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64531	4.3
54.29680	3.7
59.01372	57.7
61.98813	9.6
71.01379	42.4
89.02449	55.4
96.96000	100.0
98.20741	6.8
101.02426	24.2
107.05042	5.2
109.02914	4.6
113.02433	19.3
119.03538	27.4
119.05016	9.8
123.04504	4.7
135.04456	10.2
137.02431	6.2
141.53517	4.4
143.03506	6.4
145.02948	6.3
149.02473	5.6
150.03200	7.6
151.04012	6.4
161.02342	9.9
161.04517	12.0
162.03078	4.4
163.03992	16.8
166.02640	6.5
179.03397	8.6
179.05637	35.9
181.05022	10.7
198.15695	5.0
218.90845	4.9
229.78111	4.9
230.04669	7.2
231.04779	4.7
275.04053	5.1
295.08176	8.7
324.09882	5.3
327.12256	5.1
339.12299	68.0
345.13251	6.3
357.12988	5.1
375.13724	9.0
443.11395	7.2
446.71585	4.3
482.51678	4.8
519.18494	10.1
536.53583	4.9
537.19397	14.0
573.17303	13.9
573.25586	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	573.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22026	17.3
52.66653	15.5
53.73062	14.6
56.77933	15.9
59.01363	69.9
69.40329	60.5
69.40751	62.9
71.01373	53.3
89.02433	94.9
97.91547	14.2
101.02431	23.8
101.77755	14.8
103.80836	14.8
113.02435	24.4
117.37843	17.3
119.03474	24.7
146.03690	25.1
151.04147	19.2
161.04488	21.7
176.92647	16.4
179.05644	40.6
179.07091	32.5
271.80927	16.2
282.61716	18.1
319.71814	17.9
339.12268	30.7
368.74600	17.1
375.14279	51.4
392.47504	17.4
394.56461	16.8
537.20007	88.7
573.17224	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	573.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90649	0.2
59.01368	1.9
61.98821	4.0
69.65614	1.2
71.01378	0.9
73.02903	0.3
74.81922	0.2
83.01361	0.3
85.02958	0.6
87.00882	0.3
88.98793	0.4
91.05534	0.3
93.03477	0.4
96.95998	3.4
101.02426	0.6
107.05000	1.0
112.18745	0.2
113.02429	0.8
117.03453	0.5
119.05013	1.4
133.02953	1.5
134.03748	2.6
135.04510	84.5
136.04820	2.5
141.01929	0.5
142.06659	0.3
145.02905	0.3
159.02986	1.1
161.02446	3.7
161.13307	0.3
162.02808	0.7
163.04030	0.8
173.04445	0.3
177.05579	0.3
179.03474	100.0
180.03818	3.4
205.12257	0.3
223.13322	0.3
267.12329	0.2
305.15634	0.3
315.12231	0.3
325.98660	0.2
341.08688	1.7
341.38687	0.2
393.15436	0.6
397.54752	0.2
409.15356	0.3
529.20624	1.1
573.19226	0.4
573.28680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81804	0.9
59.01373	10.4
61.98817	4.9
64.93677	0.9
65.03954	2.6
67.01890	1.7
69.03452	4.3
71.01388	7.5
73.02924	1.6
84.71734	1.1
85.02953	3.1
89.02427	6.1
91.01892	11.4
92.78792	1.0
93.03448	2.4
93.68500	0.9
96.96016	3.5
97.02974	1.4
97.06560	1.0
98.19875	1.6
99.00926	1.1
99.04497	6.3
101.02426	4.6
109.02206	1.1
109.02951	18.9
113.02438	40.1
113.06095	3.0
120.53528	0.9
121.02946	1.0
123.04482	1.4
125.02439	1.4
129.80486	1.0
133.02948	1.9
134.03719	1.4
135.00873	41.1
135.01913	2.2
135.04494	6.1
136.01274	0.8
137.02466	1.0
141.05530	5.4
151.07635	1.9
153.01923	94.2
153.09195	100.0
154.02281	2.5
154.09517	2.7
161.02431	4.6
161.04506	1.4
169.08661	2.3
173.04568	5.5
173.30620	1.0
179.03427	3.1
181.33397	0.9
193.05051	1.8
195.06593	2.5
197.08163	96.3
198.08524	2.3
206.69055	1.1
213.07657	9.5
243.06595	2.1
255.08676	5.3
284.54190	1.0
285.09711	5.1
293.08734	4.2
311.09525	2.7
315.10828	29.4
375.12906	26.7
376.13150	2.4
399.20206	1.9
418.33557	1.0
429.10312	41.3
430.10672	1.5
470.42084	1.2
573.21680	20.5
574.22449	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	573.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44712	1.4
55.05729	1.8
59.01373	56.5
65.03936	1.7
67.01868	2.3
69.03447	100.0
70.03764	1.7
71.01379	19.2
71.05038	1.6
73.02930	1.9
79.05507	1.7
83.05010	2.2
85.02940	3.8
85.06603	2.6
89.02442	10.7
95.01382	2.5
95.05016	30.4
96.96001	2.1
97.06548	3.3
98.20696	5.0
99.04498	19.7
101.02444	13.2
105.38393	1.8
106.04233	8.9
109.02911	2.6
111.00856	1.8
111.04537	2.4
113.02431	10.2
113.06075	14.5
119.03481	5.1
119.05108	1.7
121.02931	11.0
121.06581	55.4
122.06943	1.7
123.04494	10.3
133.02927	1.8
134.03722	1.6
135.04488	4.0
139.00313	10.3
139.04005	1.8
139.07608	7.1
141.05557	15.3
149.09811	2.2
151.11243	3.5
153.01901	5.1
153.09204	3.5
161.02403	2.9
161.04459	2.2
165.05524	22.8
179.03506	4.0
183.06619	11.0
183.10242	10.7
193.04982	1.9
197.08205	3.2
197.11713	2.9
209.04552	20.5
225.11304	13.7
229.58604	2.0
345.11816	29.3
389.10852	3.8
427.16003	5.4
511.21631	18.5
529.22992	2.2
537.16071	4.8
555.20898	11.9
573.21814	91.0
574.22314	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	573.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	50.3
60.01687	1.0
60.99279	1.0
61.98812	1.5
65.03925	1.9
67.01886	1.2
69.03448	100.0
69.32851	10.2
70.03774	1.2
71.01373	16.6
71.04984	1.2
73.02923	1.2
74.30509	1.2
79.05537	1.5
83.01395	1.3
83.05040	1.2
85.02927	2.2
85.06578	1.5
89.02435	8.5
93.03442	1.7
95.01358	2.8
95.04413	1.4
95.05014	25.0
96.96039	1.0
97.02938	1.0
97.06570	2.4
98.20718	1.4
99.04507	20.2
101.02410	8.1
106.04237	7.0
107.08629	1.1
109.02915	1.4
109.06554	1.6
111.00850	1.2
111.04510	1.3
113.02417	10.4
113.06082	13.4
119.03487	3.4
121.02946	10.7
121.06581	56.9
123.04511	8.7
135.04486	3.7
139.00351	9.6
139.03958	1.7
139.07658	7.1
141.05579	13.0
149.02425	1.6
149.09727	1.7
151.11299	3.1
153.01897	4.5
153.09195	1.6
161.02411	3.1
163.11258	1.4
165.05531	21.8
173.04463	1.2
179.03447	2.2
179.05544	1.5
181.12354	1.0
183.06601	10.1
183.10229	10.4
189.07707	1.7
197.08208	1.6
197.11810	4.2
201.07672	2.4
201.11166	1.1
209.04517	19.5
213.07645	2.8
225.11263	11.7
243.12199	1.1
285.13168	1.1
327.10651	1.7
345.07901	2.0
345.11859	24.7
345.16068	1.4
346.11972	1.0
389.10901	2.8
427.15976	6.5
449.34851	1.1
471.15302	3.0
481.04053	1.1
511.21741	17.5
512.22021	1.4
529.22833	3.1
535.18097	1.3
537.16083	5.8
555.20758	10.9
573.21771	88.1
574.21912	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	573.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81804	0.9
59.01373	10.4
61.98817	4.9
64.93677	0.9
65.03954	2.6
67.01890	1.7
69.03452	4.3
71.01388	7.5
73.02924	1.6
84.71734	1.1
85.02953	3.1
89.02427	6.1
91.01892	11.4
92.78792	1.0
93.03448	2.4
93.68500	0.9
96.96016	3.5
97.02974	1.4
97.06560	1.0
98.19875	1.6
99.00926	1.1
99.04497	6.3
101.02426	4.6
109.02206	1.1
109.02951	18.9
113.02438	40.1
113.06095	3.0
120.53528	0.9
121.02946	1.0
123.04482	1.4
125.02439	1.4
129.80486	1.0
133.02948	1.9
134.03719	1.4
135.00873	41.1
135.01913	2.2
135.04494	6.1
136.01274	0.8
137.02466	1.0
141.05530	5.4
151.07635	1.9
153.01923	94.2
153.09195	100.0
154.02281	2.5
154.09517	2.7
161.02431	4.6
161.04506	1.4
169.08661	2.3
173.04568	5.5
173.30620	1.0
179.03427	3.1
181.33397	0.9
193.05051	1.8
195.06593	2.5
197.08163	96.3
198.08524	2.3
206.69055	1.1
213.07657	9.5
243.06595	2.1
255.08676	5.3
284.54190	1.0
285.09711	5.1
293.08734	4.2
311.09525	2.7
315.10828	29.4
375.12906	26.7
376.13150	2.4
399.20206	1.9
418.33557	1.0
429.10312	41.3
430.10672	1.5
470.42084	1.2
573.21680	20.5
574.22449	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	573.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76583	0.8
55.01864	3.2
55.36752	0.7
57.03439	12.5
58.00574	1.4
59.01371	100.0
61.98804	1.5
68.99799	1.5
69.03450	2.4
69.95211	4.3
71.01373	63.3
71.92596	0.7
72.99284	3.2
73.02939	17.1
75.00885	1.2
78.95900	2.0
79.95716	0.8
81.03458	0.9
83.01374	10.2
85.02940	27.8
87.00859	5.4
89.02431	22.2
93.03441	5.6
95.01353	4.6
96.95996	25.0
96.96925	1.8
97.02953	5.2
98.95566	2.9
99.00851	7.6
101.02431	45.6
109.06569	1.5
111.00859	0.9
113.02438	31.9
117.03443	2.2
119.03526	7.6
119.05014	25.0
123.08121	1.0
125.02448	5.6
129.30507	0.8
131.03488	4.8
133.02887	1.1
133.06592	1.2
135.04504	3.1
137.05983	1.0
137.09698	1.8
139.07590	1.1
143.03477	8.4
145.02914	7.4
149.09657	1.0
151.11218	1.1
153.01884	1.2
155.03490	1.1
159.02977	4.4
161.02516	4.8
161.04527	29.9
163.03992	24.7
173.04691	0.9
179.03456	1.8
179.05592	13.5
180.82590	0.8
181.05002	0.9
183.08092	2.7
185.09677	1.6
187.11189	0.8
192.11520	6.0
197.09721	1.4
203.05557	13.6
203.10690	1.5
205.12341	1.2
207.13866	37.7
208.14194	1.5
209.09692	1.4
221.06604	15.3
225.11311	1.4
229.08719	1.0
247.09682	3.0
249.11168	1.6
263.07681	5.3
263.14279	0.9
279.17487	9.4
305.08615	0.9
305.15475	1.8
323.09875	1.0
323.16284	4.6
355.24301	0.9
367.15582	2.3
411.14859	2.7
411.20273	1.8
505.74817	0.8
513.23737	1.2
531.24384	43.2
532.24908	3.4
555.24158	2.0
573.25427	50.2
574.17847	1.3
574.25970	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	573.2908
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
54.38083	1.8
55.01855	2.9
59.01376	44.8
61.70185	1.8
61.98814	8.3
71.01377	55.8
72.99313	1.9
73.02940	22.0
75.00857	2.6
75.76021	2.2
78.95877	2.7
83.01372	5.6
85.02957	22.5
89.02441	49.6
96.95996	4.9
99.00861	15.0
101.02435	40.3
113.02444	18.4
115.00304	1.9
119.03481	6.1
125.02427	5.0
131.03503	10.5
143.03410	2.7
149.04541	26.5
161.04532	11.7
191.05563	6.3
233.06693	3.7
293.08820	4.7
308.64020	1.9
381.22733	21.3
501.32547	3.3
505.54556	2.3
513.27008	100.0
514.27606	10.6
573.33264	2.8
594.09991	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	573.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39331	42.8
52.44283	45.4
59.01367	81.7
60.77185	53.8
70.55903	97.4
70.56272	100.0
77.08427	50.8
77.54333	45.1
78.95901	53.9
95.39617	51.6
99.48962	46.9
152.99567	92.4
255.23312	81.6
358.58057	56.6
378.13910	60.2
432.19739	49.7
445.41006	47.8
447.88028	48.9
466.89050	47.1
573.32404	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.9
59.01372	31.1
59.01677	1.8
59.16678	0.8
60.35649	0.7
61.98842	1.3
67.01887	3.2
68.99805	6.5
69.03448	13.1
69.33548	2.0
69.33958	5.0
71.01373	16.5
73.02929	1.1
85.02946	2.9
89.02433	18.4
95.01376	3.0
95.05020	25.7
98.19817	1.4
99.04488	1.9
101.02433	19.0
111.00869	28.8
111.04498	1.4
113.02434	9.7
119.03476	5.6
119.05005	2.0
121.02943	42.7
121.06569	1.9
122.03291	2.3
123.04514	10.6
127.03992	9.6
135.04494	1.2
139.00354	17.9
139.03993	7.9
143.03490	1.2
145.02818	0.9
147.04532	5.4
149.02437	12.7
153.05530	4.3
161.04594	1.4
163.03957	1.0
165.05582	7.4
171.02982	1.5
179.05608	5.9
179.07143	2.1
181.04996	2.5
191.03467	2.9
193.91277	0.8
197.08188	1.0
209.04538	1.2
223.06091	7.1
275.05597	7.5
275.09235	13.0
307.08182	25.5
308.08582	1.7
312.47910	1.1
327.08493	1.1
345.09735	1.7
359.11237	1.7
361.86768	0.8
371.09747	6.0
377.12326	15.5
378.12805	1.6
403.12344	7.8
539.17615	100.0
540.18042	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	575.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94223	3.0
58.00572	4.2
59.01373	78.1
67.01892	9.0
68.99830	16.0
69.03458	16.7
71.01371	41.4
71.92810	3.2
85.02941	5.3
89.02440	41.0
95.01378	7.6
95.05018	68.8
96.95990	4.1
98.20618	10.7
99.00856	3.9
99.04523	4.3
100.39066	2.9
101.02438	46.2
111.00861	36.7
113.02420	20.6
116.18536	3.1
119.03509	12.5
119.04963	3.7
121.02950	24.5
123.04520	4.2
127.03992	14.6
138.34808	3.1
139.00360	25.5
139.03981	37.0
143.03510	5.1
147.04478	12.2
149.02422	45.3
153.05486	6.6
165.05617	3.9
179.05559	5.0
191.03528	5.5
197.08157	5.8
223.06119	12.1
229.74689	3.3
259.49460	3.5
270.35843	3.8
275.05606	11.5
275.09204	42.8
307.08221	42.7
345.09677	7.4
359.11090	3.9
377.12311	82.5
378.12759	5.1
403.12271	10.0
539.17578	100.0
540.17926	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	575.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
58.34502	0.7
59.01372	9.3
60.27779	0.7
61.98831	1.7
67.01877	3.5
68.99809	11.6
69.10179	0.7
69.31541	7.4
71.01373	3.6
71.65819	0.8
79.56664	0.8
83.05021	1.2
85.02956	4.9
87.00882	1.8
89.02439	3.7
93.03445	13.1
96.96019	1.4
98.20680	1.6
101.02431	33.7
109.02960	2.4
111.00871	8.4
111.04503	11.5
112.18017	0.8
113.02444	2.2
119.03456	1.7
119.05009	1.0
121.02927	1.5
123.04539	1.3
125.02390	1.9
127.03973	10.0
133.02913	1.3
135.00829	1.6
135.04506	3.1
137.02406	4.7
137.06073	2.4
139.00426	4.5
143.03481	2.3
153.01944	2.4
153.05495	1.5
154.16815	0.9
155.03468	1.5
161.02426	3.4
161.04538	1.0
163.04002	1.5
171.02991	2.5
173.04526	21.3
177.01949	0.9
177.05553	0.8
179.03490	2.9
179.05623	0.8
179.07069	1.0
180.02373	0.8
191.05615	1.6
193.04932	1.0
195.06517	1.7
203.03485	1.5
207.03046	1.0
211.06056	0.9
213.07687	2.1
215.09229	1.2
239.05576	2.6
275.09241	22.0
291.08707	27.3
292.08997	2.1
323.07550	1.0
338.98419	0.8
345.09631	1.4
359.11392	4.5
371.10947	1.0
377.12341	100.0
378.12827	7.8
383.10809	1.6
401.12299	0.9
410.24368	0.8
419.11987	2.4
421.24570	1.0
437.68045	0.9
505.91483	1.0
539.17633	12.4
540.18109	1.4
575.16870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.10506	0.2
57.03438	0.3
58.00602	0.2
59.01375	5.3
61.42802	0.2
69.03448	0.2
69.47404	0.9
69.47833	0.5
71.01377	4.9
72.99290	0.2
73.02950	1.8
78.55308	0.2
78.95885	0.2
83.01396	0.5
85.02944	3.5
87.00872	0.4
89.02451	0.8
95.01408	0.3
96.96011	0.5
99.00854	0.9
101.02435	4.0
103.04006	0.5
105.03452	0.7
113.02454	2.3
115.01900	0.3
117.03471	1.6
132.02151	1.9
133.02954	28.4
134.03506	0.8
135.03491	0.2
135.04515	4.2
159.02988	0.3
160.01518	0.2
161.02432	100.0
162.02783	2.9
179.03470	1.4
227.12810	0.3
250.00760	0.2
267.10867	1.7
371.74500	0.2
413.16678	1.6
575.19702	41.1
576.19928	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	575.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71646	1.1
59.01373	16.3
67.01888	21.4
68.99812	12.1
69.03451	19.7
71.01381	6.1
71.11860	1.6
71.12218	2.1
71.40708	1.1
74.02441	1.9
78.95879	1.5
83.01437	1.0
89.02435	4.7
89.60484	1.0
95.05019	100.0
96.05363	1.6
96.95999	28.7
96.96944	2.6
97.02934	2.0
99.04507	14.6
101.02435	36.5
101.24324	1.0
101.65285	1.2
111.00129	2.1
111.00871	33.7
113.02431	1.4
113.06077	27.0
119.03498	1.8
121.02943	14.4
122.29992	1.0
123.04525	6.9
127.04002	46.0
127.04961	2.4
129.10300	2.0
135.04521	8.9
137.06088	1.8
139.00362	20.3
139.03993	14.0
145.42657	1.0
153.05595	10.3
165.05522	6.4
171.03021	1.6
179.17535	1.3
181.05066	12.6
183.02901	2.0
183.06479	2.1
209.04597	2.7
213.07648	10.0
215.05537	1.5
215.10329	1.8
241.07161	27.0
242.07542	1.0
258.14664	1.3
259.05719	1.3
259.08218	19.2
259.12875	3.3
315.10800	31.3
316.11523	1.8
336.00455	1.4
341.50186	1.1
432.18954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12247	0.2
55.01867	0.3
56.16564	0.1
57.03442	0.3
58.00583	0.2
59.01372	4.7
61.98826	0.1
67.01950	0.1
67.59235	0.1
69.03427	0.2
71.01373	4.8
71.61288	0.2
72.99311	0.3
73.02947	2.2
78.95901	0.2
83.01377	0.9
85.02942	3.5
87.00880	0.2
89.02426	0.8
89.03975	0.2
93.36123	0.1
95.01365	0.4
95.01922	0.1
95.05006	0.2
96.96037	0.6
97.02931	0.3
99.00877	0.5
101.02431	4.1
103.03961	0.3
104.02663	0.1
105.03447	0.6
110.98501	0.2
111.00883	0.2
113.02444	2.0
117.03465	1.3
123.04510	0.3
125.02391	0.2
132.02145	1.9
133.02943	30.4
134.03438	0.6
135.04515	4.6
137.02397	0.3
143.03467	0.2
159.02995	0.4
160.01672	0.2
161.02426	100.0
162.02759	3.0
163.03954	0.2
179.03494	1.1
227.12860	0.4
227.29515	0.1
267.10831	1.5
363.08270	0.2
397.03717	0.2
413.16559	1.9
414.16650	0.2
575.19702	41.1
576.20020	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	575.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01131	0.6
59.01376	6.6
59.52954	0.6
61.79115	0.6
67.01886	1.1
68.58500	0.6
68.99816	1.2
71.01372	3.8
71.61819	0.7
73.02944	1.0
85.02938	1.1
85.44142	0.6
89.02434	2.2
93.03410	0.9
95.04984	0.6
96.96002	10.6
101.02426	7.6
109.59396	0.6
111.00846	2.5
113.02435	2.3
116.05048	6.2
118.06622	12.8
119.03481	1.0
119.04992	3.3
121.02922	1.3
127.03998	1.9
128.03546	1.1
130.06610	0.6
132.08205	1.2
133.02914	1.7
135.04520	6.6
136.04871	1.1
137.06010	0.7
139.00352	1.3
139.04004	1.4
140.08316	0.6
143.04613	0.8
144.04543	17.1
146.06105	1.0
148.07631	2.8
150.09209	2.0
158.06097	1.2
160.03998	1.9
161.02435	2.9
161.04634	1.0
162.02774	0.8
162.89238	0.6
163.04008	2.2
176.07140	62.2
177.07498	2.0
178.08698	0.8
179.03470	5.1
181.12335	0.6
188.03503	11.6
190.05116	1.0
190.08711	2.1
193.03755	1.0
202.93208	0.6
208.09749	75.6
209.10056	2.8
220.06108	100.0
221.06470	3.4
259.09735	2.8
262.97531	0.6
268.10434	0.7
281.18561	0.7
287.11990	0.8
291.08719	6.8
319.14478	6.2
341.10718	1.6
351.16989	2.6
361.12888	3.3
363.13391	9.3
388.13953	1.7
395.16013	2.2
426.67892	0.6
499.18677	0.9
531.21277	21.9
531.28204	1.4
532.21613	2.3
575.20001	7.5
575.30188	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	575.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
59.01377	7.3
62.08095	0.5
68.22015	0.5
68.99812	1.0
69.50912	4.8
71.01375	2.5
72.64189	0.6
73.02953	0.7
83.01375	2.0
83.05015	1.1
85.02950	0.8
87.00872	2.0
88.98804	0.7
89.02446	0.8
93.03453	1.6
96.96016	4.2
97.06603	0.7
98.19853	0.7
101.02454	3.3
107.05022	1.7
111.00861	0.8
112.11197	0.6
113.02423	1.2
115.00357	1.9
117.03482	1.7
119.05016	100.0
120.05373	2.0
121.02981	0.7
132.05809	0.7
133.02960	0.8
133.06561	1.7
135.04509	1.3
137.02422	0.7
138.67223	0.6
145.02922	6.5
149.06090	0.7
161.02454	0.7
161.06067	3.9
161.09669	4.3
161.13329	2.2
163.03992	70.5
163.11189	0.9
164.04308	3.2
169.10138	0.6
177.05579	1.5
187.03966	0.9
187.11259	6.2
189.09193	3.8
203.10805	0.7
205.05013	5.5
205.12299	2.4
207.10213	1.1
223.13385	2.6
231.10126	1.6
235.06055	4.1
249.11319	4.3
265.07190	8.1
267.12457	2.8
273.11234	0.9
274.97830	0.6
291.08679	1.3
325.09213	4.4
333.13257	1.0
346.92236	0.6
411.16528	6.5
462.99646	0.6
575.21338	33.0
576.21820	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	575.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58601	0.8
53.09679	0.8
57.03430	2.2
59.01373	61.4
60.01688	1.0
60.05051	0.8
61.98808	2.8
62.86462	0.9
67.01860	3.3
68.99799	3.6
69.03432	2.3
71.01373	13.5
71.05010	1.3
71.36018	0.8
71.62086	1.1
72.09629	0.7
73.02943	1.4
75.00817	1.1
83.01369	1.5
83.04987	1.3
85.02930	5.9
87.00858	4.9
89.02438	9.3
93.03443	9.7
95.01353	1.7
95.04966	0.9
96.95998	30.0
97.06524	1.4
99.00854	0.9
101.02428	11.1
102.11731	0.8
107.04993	5.6
111.00851	4.7
111.04491	1.5
112.08602	0.8
113.01823	0.8
113.02438	10.6
117.02641	1.6
117.03446	22.2
119.03552	1.7
119.05011	60.0
121.02939	2.2
125.02396	1.4
125.06017	1.1
127.03966	3.9
131.03413	1.0
131.04979	1.2
132.05750	2.1
133.02893	2.9
133.06592	7.1
135.04523	4.8
137.02356	1.2
139.00374	1.1
139.03967	1.8
143.03471	1.1
145.02936	100.0
146.03214	3.3
147.04395	1.3
149.02377	1.0
149.04549	1.1
149.06076	0.9
155.03456	1.2
156.73314	1.0
158.03619	1.5
159.04495	7.7
159.11790	1.1
161.02429	6.3
161.04663	1.2
161.06047	15.9
161.09705	6.0
161.13301	4.0
163.03989	58.1
163.11266	1.0
164.04184	1.0
173.03084	1.7
173.04520	29.3
177.05539	4.0
179.03487	1.8
179.05513	1.9
187.03989	42.8
187.11246	7.0
188.04224	1.5
189.09160	3.3
191.05511	6.8
191.07114	1.5
203.10670	1.9
205.05043	10.9
205.12186	3.1
207.10149	1.2
223.13365	38.5
224.13705	0.9
229.12183	0.9
235.06004	0.9
249.11284	4.2
252.50441	0.9
257.07501	0.9
259.09537	3.4
265.07117	4.3
267.12317	40.3
268.12555	0.9
280.17682	1.0
291.08719	9.4
307.08157	16.9
307.16714	1.0
309.13104	1.0
325.09235	39.2
326.09332	2.0
336.16833	1.0
361.12686	7.0
369.15308	1.5
393.15427	1.4
395.14456	1.0
401.21600	1.1
404.14371	2.7
411.16589	5.8
413.15442	1.7
429.11169	1.3
429.17606	32.4
430.17685	2.0
461.16104	1.1
515.18811	1.5
531.27802	1.4
554.20319	1.7
575.20923	48.4
576.21094	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	575.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
57.57267	0.5
59.01373	7.0
64.27983	0.5
68.99814	0.4
69.16437	0.4
69.44741	3.7
71.01385	1.9
73.02933	1.3
78.25921	0.5
83.01383	1.7
83.05011	0.9
85.02948	0.5
87.00896	1.2
89.02437	0.8
93.03434	1.3
96.96015	1.0
98.20663	0.9
101.02424	1.4
107.05016	2.1
111.00919	0.7
113.02398	0.6
115.00389	1.1
117.03471	0.9
119.05013	100.0
120.05278	2.8
133.06596	1.0
135.04503	1.5
142.18510	0.5
145.02943	1.9
150.95915	0.5
161.06097	0.8
161.09714	4.6
161.13312	2.1
163.03986	68.4
163.11293	0.8
164.04347	2.4
177.05495	1.0
179.03510	0.6
187.11263	5.5
189.09183	3.4
203.10741	1.1
205.05063	1.4
205.12338	3.1
207.10205	1.4
223.13397	1.3
231.10204	1.8
235.06032	1.0
249.11356	3.9
265.07187	2.6
267.12402	1.9
271.13513	0.6
291.12317	1.0
325.09064	2.7
333.13382	1.0
361.13013	0.5
411.16431	6.8
497.10855	0.5
515.18805	0.6
575.21301	34.9
576.21613	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	575.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01373	6.4
60.99302	0.5
61.98837	0.6
63.40294	0.4
65.31384	0.4
67.01879	5.8
69.03449	1.4
69.65047	2.7
71.01366	6.3
73.02941	1.3
78.95893	0.6
81.03446	1.6
83.01368	0.5
83.05022	1.4
85.02949	2.2
87.00857	0.5
89.02446	1.1
91.47283	0.4
93.03445	36.5
94.03783	0.9
96.95994	4.3
99.00867	0.5
99.04498	0.7
101.02423	2.3
104.28382	0.5
109.02946	1.1
111.00873	1.6
111.04511	6.1
113.02448	2.3
119.03547	0.7
119.05028	0.9
127.04013	0.7
134.04726	0.7
137.02412	6.8
145.02980	0.9
155.03485	6.5
161.02425	1.0
161.04570	0.5
163.04056	0.7
173.04515	100.0
174.04820	2.6
177.12833	3.1
191.05612	1.8
195.13870	46.8
196.14200	1.6
203.10783	0.6
212.60983	0.5
221.11771	1.3
239.12845	29.8
240.13132	1.7
249.44011	0.4
327.08646	0.5
395.17032	14.1
396.17206	1.0
401.18085	3.7
413.18097	36.7
414.18625	2.9
510.79666	0.5
533.25800	0.9
575.23279	31.7
576.23712	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	575.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
57.03440	0.9
59.01089	1.5
59.01372	19.7
61.98820	18.9
69.03442	1.0
71.01376	32.2
71.61964	0.8
71.85295	0.8
72.99296	1.5
73.02944	11.3
75.00869	1.3
79.50948	0.7
83.01374	3.4
84.95158	1.1
85.02940	14.1
89.02446	9.3
89.65218	0.8
95.01381	3.6
96.95982	1.0
97.02914	2.2
99.00868	6.1
101.02435	21.4
113.02435	12.1
119.03472	1.2
125.02441	1.8
131.03485	0.9
143.03461	1.7
149.04442	0.8
156.97881	0.9
159.02956	1.4
161.04526	12.1
161.09686	1.0
170.61774	0.8
179.10776	3.1
211.13229	1.2
221.11766	1.1
222.77820	0.8
223.09676	1.8
250.02419	0.8
265.10855	1.0
295.11710	1.1
311.22141	1.0
325.12915	5.1
383.24295	13.0
385.14685	1.1
451.44391	0.8
455.73349	0.8
515.28522	100.0
516.29047	9.0
575.28131	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	575.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.0
57.03427	3.4
58.00082	0.7
58.00574	2.6
58.93295	0.8
59.01374	100.0
61.98829	5.9
61.99086	1.0
64.14861	0.7
69.03436	2.5
70.66318	1.8
70.66655	0.9
71.01378	62.9
72.99275	3.0
73.02943	24.0
75.00879	1.8
78.95879	1.2
81.03426	1.2
83.01392	7.7
85.02946	24.0
87.00867	4.4
89.02437	35.3
89.02992	1.8
91.03989	3.0
92.02959	0.8
95.01373	5.0
96.72114	0.7
96.95993	4.4
97.02924	2.1
99.00867	5.7
99.97244	0.8
101.02434	34.7
113.01690	1.6
113.02441	29.3
115.04017	1.0
116.92811	0.9
119.03487	9.1
124.01665	1.0
125.02417	3.7
131.03514	4.5
143.03513	4.7
149.04544	6.4
159.02937	0.8
161.02434	1.7
161.04543	14.2
163.40405	0.9
179.05621	4.9
181.08707	1.8
183.13867	2.9
191.05618	1.2
203.05618	1.1
279.23239	22.3
280.23547	1.1
287.88110	0.8
291.62146	0.9
293.24759	6.2
297.24246	3.6
321.24426	4.0
359.25034	0.8
383.24338	16.4
384.24146	0.9
396.97229	1.0
441.28516	41.5
442.28748	3.1
442.47256	0.9
459.29816	7.7
483.29608	13.8
484.30344	1.1
501.30579	11.1
502.30963	1.5
515.28534	38.2
516.28851	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.0
57.03427	3.4
58.00082	0.7
58.00574	2.6
58.93295	0.8
59.01374	100.0
61.98829	5.9
61.99086	1.0
64.14861	0.7
69.03436	2.5
70.66318	1.8
70.66655	0.9
71.01378	62.9
72.99275	3.0
73.02943	24.0
75.00879	1.8
78.95879	1.2
81.03426	1.2
83.01392	7.7
85.02946	24.0
87.00867	4.4
89.02437	35.3
89.02992	1.8
91.03989	3.0
92.02959	0.8
95.01373	5.0
96.72114	0.7
96.95993	4.4
97.02924	2.1
99.00867	5.7
99.97244	0.8
101.02434	34.7
113.01690	1.6
113.02441	29.3
115.04017	1.0
116.92811	0.9
119.03487	9.1
124.01665	1.0
125.02417	3.7
131.03514	4.5
143.03513	4.7
149.04544	6.4
159.02937	0.8
161.02434	1.7
161.04543	14.2
163.40405	0.9
179.05621	4.9
181.08707	1.8
183.13867	2.9
191.05618	1.2
203.05618	1.1
279.23239	22.3
280.23547	1.1
287.88110	0.8
291.62146	0.9
293.24759	6.2
297.24246	3.6
321.24426	4.0
359.25034	0.8
383.24338	16.4
384.24146	0.9
396.97229	1.0
441.28516	41.5
442.28748	3.1
442.47256	0.9
459.29816	7.7
483.29608	13.8
484.30344	1.1
501.30579	11.1
502.30963	1.5
515.28534	38.2
516.28851	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.8
61.98825	0.6
62.73833	0.2
63.09956	0.2
71.01374	2.8
73.02922	0.9
81.41906	0.2
83.01374	0.4
85.02949	0.7
87.00870	0.4
89.02431	2.0
95.01385	0.4
97.02904	0.3
99.00885	0.2
101.02435	3.2
113.02448	1.4
113.99567	0.3
119.03493	0.7
130.70523	0.2
133.05104	0.3
160.82678	0.2
161.04552	1.4
165.67645	0.2
179.05650	0.4
189.71381	0.2
230.03983	0.3
235.08191	1.5
253.09248	14.8
254.09564	0.7
261.22202	0.4
279.23242	100.0
280.23599	6.8
435.30524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86322	0.2
59.01373	0.5
61.98825	100.0
63.99258	0.4
75.57369	0.2
122.76195	0.2
133.02945	0.7
151.00311	0.3
175.03937	0.3
199.04016	0.3
203.98425	0.3
269.04507	0.3
285.04025	7.8
516.27911	0.4
597.92096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.01367	1.7
61.98821	100.0
62.66429	0.2
71.01375	0.7
73.02944	0.5
77.57755	0.3
78.95918	0.3
83.01405	0.3
85.02956	0.5
89.02464	0.3
89.55046	0.3
96.60383	0.2
98.20607	0.9
101.02420	0.6
113.02435	0.4
161.04541	0.4
207.25066	0.3
229.41095	0.4
269.04636	0.7
312.54318	0.2
384.24844	0.6
515.28625	0.5
516.28613	2.6
516.34460	0.2
576.76862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98823	100.0
71.01376	1.6
73.02938	0.8
83.01383	0.3
85.02948	0.6
86.03283	0.3
89.02438	0.4
95.24409	0.2
99.00880	0.4
101.02438	1.1
113.02443	0.5
161.04553	0.4
162.04915	0.2
296.70352	0.2
384.24908	0.4
407.14261	0.2
453.20367	0.2
515.28314	0.9
516.28784	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	576.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25518	0.2
59.01366	0.5
61.98824	100.0
63.85675	0.2
69.28399	1.2
69.28831	0.7
71.01375	0.5
73.02958	0.3
78.98594	0.9
79.95745	1.0
80.96507	6.8
85.02950	0.3
88.31385	0.2
94.98072	1.6
97.02925	0.3
98.19810	0.3
101.02447	0.2
106.98080	0.3
122.97581	0.6
134.97614	0.5
136.99132	0.2
148.99182	0.7
152.98683	0.6
164.98634	1.2
206.99643	0.3
225.00720	2.1
253.09105	0.2
259.69006	0.2
277.21765	0.8
278.22202	0.9
279.22458	0.6
280.22726	0.3
299.04611	0.4
318.50745	0.2
547.73474	0.2
577.26764	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98822	100.0
64.47038	0.2
65.98937	0.2
71.01367	1.1
73.02936	0.3
78.98586	0.8
79.95719	1.7
80.96509	9.6
85.02963	0.6
87.00926	0.3
94.98068	2.5
98.19879	0.4
101.02459	0.4
106.98072	0.5
121.08138	0.2
122.97556	0.6
125.02441	0.5
134.97585	0.8
136.99162	0.3
148.99120	0.9
152.98630	1.0
164.98578	1.7
179.54164	0.2
206.99669	0.4
225.00710	1.9
277.21732	0.5
278.22131	0.4
279.22498	0.3
280.22586	0.2
299.04453	0.5
472.46548	0.2
577.26764	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.0
61.98824	1.8
68.90599	0.3
71.01363	0.5
73.95281	0.3
78.95897	7.2
89.11767	0.3
152.99538	1.3
168.04282	1.6
201.53111	0.4
217.62592	0.4
218.94806	0.4
224.06841	1.1
242.07982	3.4
262.15637	0.3
269.04474	0.8
275.19983	0.5
277.21671	100.0
278.22015	6.1
287.68665	0.3
390.56601	0.4
502.29330	42.6
503.29742	2.9
577.16260	0.4
603.18658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	28.9
61.98824	3.0
63.24675	0.6
65.28288	0.6
70.75818	1.6
78.95890	28.5
91.99280	0.6
96.95994	1.3
98.20732	0.6
107.72415	0.6
143.08028	0.6
152.99570	5.3
168.04309	3.7
170.00955	0.6
224.06874	11.8
242.07942	2.4
259.20679	1.0
269.04581	1.9
277.21677	100.0
278.22043	6.2
303.10651	0.6
387.22845	0.6
420.98953	0.7
474.79187	0.7
502.29327	93.0
503.29758	9.1
555.74457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1342
Annotation	Apigenin 7-(6''-E-p-coumaroylgalactoside)
Peak:m/z	Relative Intensity
59.01369	1.5
61.98822	0.5
63.02377	1.1
63.51643	0.1
65.00023	0.2
65.00331	0.6
69.43119	1.3
71.01381	0.6
73.02956	0.2
83.01405	0.3
85.02947	0.2
85.37685	0.1
86.47739	0.1
89.02439	0.3
93.03471	0.5
96.96000	1.4
101.02445	0.3
105.03398	0.3
107.01387	1.3
108.02171	0.2
109.02957	0.3
113.02457	0.3
117.03449	9.2
118.03779	0.3
119.05015	1.5
121.02908	0.4
123.04430	0.2
133.02960	0.6
134.03717	1.6
135.04506	0.5
137.02350	0.2
145.02936	12.3
146.03296	0.5
149.02448	1.2
149.06026	0.2
151.00343	1.0
153.01968	0.2
159.04532	1.3
160.01646	0.4
161.02419	2.6
163.04013	1.0
165.06728	0.2
169.06564	0.5
173.04553	0.2
175.03995	0.3
179.03441	0.2
181.06541	0.3
183.04501	0.7
193.05017	1.8
196.05261	0.3
197.06030	0.6
201.05531	0.7
205.05098	0.2
224.04712	0.2
225.05550	1.1
227.03435	0.4
268.03748	2.6
269.04501	100.0
270.04868	5.4
270.07822	0.3
307.08243	1.2
311.05563	0.3
316.33450	0.2
326.42157	0.2
336.68582	0.2
412.10825	0.2
431.09686	0.7
577.13336	30.7
578.13623	3.6
582.85193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1552
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
59.01366	1.2
61.98830	0.2
63.02382	1.3
65.00334	0.8
69.04613	0.2
71.01375	1.1
73.02915	0.3
75.00859	1.7
83.01383	0.6
85.02957	0.6
87.84847	0.2
89.02418	1.0
96.96028	0.3
98.20689	0.4
101.02444	0.5
105.71046	0.3
107.01369	1.5
109.34394	0.2
112.39732	0.2
113.02432	0.7
117.03439	2.6
121.03012	0.3
131.25142	0.3
135.04581	0.3
148.01590	0.3
149.02420	0.9
151.00352	1.7
159.04433	1.5
161.02452	0.7
165.05470	0.3
171.04521	0.4
172.05241	0.2
181.06667	0.4
183.04451	0.8
196.05225	0.4
197.06010	0.7
200.04810	0.3
201.05525	0.4
211.03996	0.7
212.04684	0.3
222.22668	0.2
225.05597	1.2
225.11441	0.3
227.03436	0.7
239.03600	1.3
240.04266	1.5
267.03021	0.5
267.99521	0.4
268.03720	25.2
269.04495	100.0
270.02127	0.4
270.04840	4.9
293.04517	0.4
321.51230	0.3
386.15878	0.3
413.08957	0.5
431.10049	0.3
494.65323	0.3
517.22729	0.3
577.15515	56.7
578.15839	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95878	0.8
59.01369	8.4
62.59119	0.8
69.26165	2.2
69.26587	4.9
71.01370	4.5
73.02935	1.6
82.56161	0.7
85.02927	1.2
86.80553	0.7
89.02431	5.5
99.00852	2.0
101.02420	1.9
107.05006	1.6
113.02423	1.4
117.03426	2.3
119.03453	0.8
119.04979	5.0
123.04492	3.6
126.94835	0.7
133.02937	17.3
134.03745	5.9
135.04509	91.6
136.04820	2.3
145.02933	6.5
149.04472	0.9
153.05527	4.9
161.02423	53.7
162.02736	1.4
163.03969	7.4
168.39491	0.8
173.04604	1.0
175.03947	0.9
179.03473	58.3
180.03790	2.0
193.04857	1.1
212.16068	0.9
223.06102	1.8
227.07086	1.0
269.04446	2.7
344.43439	0.7
378.98932	0.9
391.61264	0.8
495.21695	1.1
541.19189	100.0
542.19550	8.7
551.09198	0.8
577.17328	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	577.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
58.00580	2.7
59.01373	82.2
67.01869	4.6
68.99813	10.6
69.03451	18.2
69.30625	11.8
71.01376	56.1
72.99297	4.1
81.03458	1.4
83.01379	2.8
83.05005	3.9
84.01828	1.1
85.02946	13.4
85.31108	1.4
87.00866	6.6
89.02435	66.4
91.27251	1.2
93.03449	23.7
95.01371	3.6
95.04999	4.8
96.96004	32.1
96.96941	2.2
97.02914	1.6
98.20578	2.2
99.00860	4.7
101.02434	43.9
111.04505	11.6
113.01689	1.5
113.02444	19.6
119.02657	1.4
119.03497	27.2
119.04945	2.8
121.02946	14.0
123.04517	3.6
125.02460	1.6
127.03972	5.4
131.03488	2.6
133.02910	2.6
135.04514	12.0
137.02419	3.2
137.06032	2.9
139.00316	2.8
143.03459	8.2
147.04459	2.4
149.02422	3.3
149.04521	2.6
153.05527	3.6
155.03476	12.2
161.02399	4.4
161.04526	5.5
167.03525	1.5
173.04526	56.1
179.03419	7.3
179.05579	29.9
179.07077	2.8
181.05067	2.7
186.18990	1.2
190.02592	1.3
191.05579	44.7
197.08136	3.6
223.06084	31.9
223.08263	1.7
224.06395	1.2
359.13260	1.9
371.09552	2.4
377.00095	1.3
403.12436	22.1
404.12646	1.8
577.17627	100.0
578.17712	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	577.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01374	9.8
60.99303	2.0
61.98828	0.6
67.01887	5.8
68.99811	1.0
69.03459	2.7
69.36081	3.6
71.01377	7.5
72.99309	1.0
73.02939	1.0
81.03456	1.4
83.01385	0.5
83.05016	1.1
85.02940	8.6
87.00867	9.6
89.02436	5.1
93.03449	40.4
94.03791	0.6
95.05032	1.7
95.08622	0.4
96.95995	1.6
97.02889	0.4
98.20681	0.8
99.00871	1.2
99.80186	0.4
101.02452	4.8
109.02942	1.1
111.00894	0.8
111.04505	5.7
113.02433	2.2
119.03500	2.1
121.02941	2.4
123.04549	0.6
126.06058	0.4
127.04019	3.0
129.01941	1.2
133.02936	0.6
135.04509	1.7
139.00310	0.6
147.04478	0.4
149.02420	1.3
149.54837	0.4
153.02017	0.4
155.03502	1.2
161.02402	1.0
165.05519	0.4
172.78426	0.4
173.04532	15.3
179.03487	1.2
179.05562	0.9
191.05594	100.0
192.05914	2.0
201.07187	0.5
233.06639	1.7
338.65811	0.4
371.13229	0.7
383.09647	1.3
403.12515	0.6
541.21204	1.7
545.14819	0.5
570.58173	0.5
573.81451	0.4
577.17645	77.5
578.17975	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.18
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32448	0.2
59.01369	0.8
60.08177	0.1
63.56450	0.2
69.43890	0.2
71.01369	0.7
73.02919	0.2
78.95892	2.7
79.95736	2.6
82.70103	0.2
82.77471	0.2
85.02902	0.2
89.02435	0.6
95.30077	0.2
96.96000	100.0
96.96887	4.4
101.02439	0.5
113.02432	0.4
149.04559	0.4
179.05557	0.3
191.05605	0.4
192.11769	0.2
307.64169	0.2
577.20831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03120	0.2
57.03453	0.2
59.01369	2.7
63.39133	0.2
68.44794	0.2
68.80672	0.2
69.56527	1.1
69.56941	0.3
71.01375	2.2
73.02951	0.8
82.95419	0.4
83.01389	0.3
83.72195	0.2
84.95096	0.3
85.02942	1.5
87.00867	0.4
89.02460	0.7
89.03946	1.2
93.03475	0.2
95.01375	0.2
95.04971	0.2
96.95988	0.3
98.19896	0.4
99.00890	0.7
101.02432	1.5
106.04262	0.2
107.05017	0.2
113.02428	1.2
117.03456	4.2
119.05045	0.7
121.03022	0.2
132.02180	2.9
133.02951	0.7
134.03729	78.1
135.03998	1.8
137.02467	0.2
145.02943	0.3
147.81488	0.2
149.04893	0.4
149.06076	6.9
159.03023	0.3
160.01653	9.7
161.02452	2.0
161.04581	0.5
163.04039	1.1
175.03990	11.5
176.04234	0.2
177.01791	0.2
178.02634	0.6
179.03513	0.5
185.07227	0.4
190.22256	0.2
193.05038	100.0
194.05359	3.4
202.08772	0.2
242.09247	0.2
269.04523	0.4
269.10339	0.5
278.10226	0.3
401.09418	0.2
415.14117	0.3
487.16959	0.4
537.68695	0.2
577.19202	7.2
577.26477	0.5
578.19733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51613	0.2
58.00593	0.4
59.01371	13.0
61.98815	0.6
69.24512	2.7
71.01373	4.9
72.93656	0.3
72.99314	0.7
73.02934	1.5
85.02948	0.9
89.02428	5.1
89.03943	0.6
91.05536	0.4
96.96052	0.3
99.00864	2.7
101.02435	2.0
104.97886	0.3
105.03479	0.4
106.04247	0.5
107.05009	2.4
113.02428	0.9
117.03461	1.9
117.57282	0.3
123.04508	0.4
124.28612	0.3
131.03447	0.4
132.02129	1.0
133.02940	19.8
134.03748	8.3
135.04504	100.0
136.04848	2.8
137.02399	0.4
140.30092	0.3
149.04546	0.7
153.09122	0.3
161.02419	49.9
162.02776	1.4
162.05606	0.3
172.05313	0.4
179.03468	59.1
180.03867	1.7
189.05540	0.9
190.06313	1.6
191.05666	0.4
193.05078	0.4
195.06583	0.7
205.08636	0.5
349.39868	0.3
352.02594	0.3
355.11856	3.5
413.11108	0.3
534.20001	0.6
577.19128	64.4
578.19324	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	577.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03120	0.2
57.03453	0.2
59.01369	2.7
63.39133	0.2
68.44794	0.2
68.80672	0.2
69.56527	1.1
69.56941	0.3
71.01375	2.2
73.02951	0.8
82.95419	0.4
83.01389	0.3
83.72195	0.2
84.95096	0.3
85.02942	1.5
87.00867	0.4
89.02460	0.7
89.03946	1.2
93.03475	0.2
95.01375	0.2
95.04971	0.2
96.95988	0.3
98.19896	0.4
99.00890	0.7
101.02432	1.5
106.04262	0.2
107.05017	0.2
113.02428	1.2
117.03456	4.2
119.05045	0.7
121.03022	0.2
132.02180	2.9
133.02951	0.7
134.03729	78.1
135.03998	1.8
137.02467	0.2
145.02943	0.3
147.81488	0.2
149.04893	0.4
149.06076	6.9
159.03023	0.3
160.01653	9.7
161.02452	2.0
161.04581	0.5
163.04039	1.1
175.03990	11.5
176.04234	0.2
177.01791	0.2
178.02634	0.6
179.03513	0.5
185.07227	0.4
190.22256	0.2
193.05038	100.0
194.05359	3.4
202.08772	0.2
242.09247	0.2
269.04523	0.4
269.10339	0.5
278.10226	0.3
401.09418	0.2
415.14117	0.3
487.16959	0.4
537.68695	0.2
577.19202	7.2
577.26477	0.5
578.19733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84630	0.2
55.01867	0.4
57.03434	0.2
58.00572	0.2
59.01371	5.2
59.16258	0.3
68.27518	0.2
69.40287	0.6
69.40689	0.9
71.01373	4.8
72.99312	0.3
73.02937	2.0
83.01388	1.0
85.02934	3.3
85.91210	0.2
89.02433	1.1
89.03970	0.3
95.01395	0.7
96.95983	0.6
97.02939	0.2
99.00865	0.8
101.02430	3.9
103.03999	0.3
105.03452	0.6
113.02438	2.8
115.01825	0.2
117.03471	1.4
123.04546	0.2
125.02407	0.3
129.06671	0.3
132.02144	1.7
133.02936	27.3
134.03249	0.5
135.04517	4.5
137.02467	0.3
145.02940	0.5
157.86214	0.2
159.02925	0.4
161.02420	100.0
162.02750	2.8
163.04044	0.2
179.03481	1.4
238.06464	0.2
269.10172	1.5
291.06561	0.8
415.16089	1.7
420.12024	0.2
431.13269	0.2
529.87122	0.3
577.19153	40.6
578.19543	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	577.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.3
62.69691	0.4
68.99813	1.3
69.51074	1.9
69.51485	1.1
71.01374	2.8
72.99281	1.0
73.02928	1.0
75.00872	0.7
85.02940	1.7
89.02420	3.2
93.03451	1.4
93.72131	0.4
99.00876	1.2
101.02435	4.6
101.79500	0.5
107.66472	0.4
108.02174	0.8
109.02921	0.6
111.00865	1.2
111.01599	0.5
111.04488	0.9
113.02407	1.1
117.03457	8.1
119.05010	65.2
120.05343	1.2
121.02964	0.5
127.04003	1.1
135.04469	0.7
137.06056	0.6
143.03471	0.4
145.02933	38.9
146.03267	1.6
149.02377	0.5
149.68863	0.4
152.01192	0.6
159.96954	0.4
161.02425	1.2
163.03986	100.0
164.04344	3.1
164.15981	0.4
165.05528	0.5
173.04596	0.8
178.98076	0.9
188.76117	0.4
200.07646	0.5
268.03888	1.0
269.04514	4.0
275.09271	1.8
291.08783	2.8
299.11356	0.7
377.12311	8.1
378.12650	0.8
379.12930	0.9
413.14359	2.7
431.15457	3.0
455.87006	0.5
539.17737	0.6
541.18756	0.5
577.19196	21.8
578.19574	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	577.192
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
59.01374	3.0
66.56567	0.6
67.01881	0.7
69.74512	1.8
69.74918	1.9
71.01369	1.4
78.49804	0.6
78.77237	0.6
85.02962	4.3
87.00853	1.9
93.03446	3.6
98.20087	1.5
111.04503	1.1
119.05017	0.9
123.66973	0.6
127.03995	1.4
130.31779	0.6
145.02956	1.4
163.03967	1.1
169.73161	0.8
173.04539	2.7
191.05588	100.0
192.05940	2.5
337.09253	25.3
338.09583	2.2
440.06015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73468	1.2
59.01371	100.0
71.06938	2.9
74.92248	1.2
82.02956	1.7
84.04537	6.9
97.04086	1.4
99.05621	1.6
101.07184	12.6
102.03463	1.6
107.05000	1.6
111.00832	2.5
134.03767	1.5
134.06093	3.7
135.04495	4.2
145.06137	5.6
146.06065	2.4
147.04497	1.4
149.06088	1.7
150.05583	1.9
153.05542	2.7
153.09189	3.0
160.01736	1.5
160.03931	1.8
161.02348	3.5
162.05580	5.6
163.06352	1.5
164.07100	2.9
174.09193	2.4
176.07114	5.4
177.05553	1.7
178.05077	6.6
178.08675	4.4
179.03490	2.0
186.09195	3.6
188.07260	1.7
195.06607	13.7
197.08136	1.5
204.10202	1.6
208.09734	2.6
215.09183	1.8
217.09787	1.8
217.62209	1.2
218.11963	1.9
229.09721	7.9
230.08128	1.9
245.09270	7.1
247.10800	9.6
261.12308	9.3
278.10361	2.2
279.13364	2.0
291.09708	2.8
293.15155	2.2
295.08221	2.7
305.11340	8.1
321.14334	3.0
337.13995	22.6
353.17136	2.7
355.14966	6.2
365.13379	2.4
397.16040	14.6
427.14700	2.0
441.16693	3.0
459.17792	4.9
533.22345	2.8
559.18439	2.7
577.20258	84.2
578.20514	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	577.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62018	0.7
59.01372	11.6
61.98821	2.8
62.26370	0.6
70.02967	0.7
70.72790	1.2
71.01378	2.0
75.00891	1.1
78.95860	0.7
85.02972	0.9
88.98762	0.6
89.02435	1.4
93.03453	1.0
94.02948	0.9
96.95983	2.8
98.20039	0.7
100.07370	0.6
101.02409	1.2
104.05035	0.6
105.03476	1.0
106.06627	1.1
107.04998	0.8
108.04525	0.7
113.20453	0.7
116.05047	76.5
117.05347	1.9
119.04990	1.4
121.02931	1.4
122.03784	0.6
124.04025	2.4
126.05539	1.1
132.04555	4.6
133.02930	5.7
134.06070	1.7
135.04596	1.4
137.06062	7.0
138.05589	3.3
140.05049	6.8
142.06602	36.6
143.06937	1.7
144.04530	3.2
146.06102	1.1
148.04008	1.5
149.04782	0.7
150.05592	1.0
151.03995	1.2
154.05295	3.2
154.06598	2.3
156.06979	1.0
156.08128	3.9
157.07762	0.5
158.06104	0.8
160.04054	2.7
161.02432	2.1
162.05597	4.0
162.26358	0.6
164.03487	0.9
164.07149	5.2
165.04277	1.2
165.05544	9.1
166.05049	4.0
166.06522	1.3
167.06105	2.6
168.04504	1.0
170.06027	1.8
172.03940	0.9
174.05539	1.6
176.07082	2.0
178.05072	3.0
178.08699	0.7
179.03500	1.7
182.06108	1.4
184.07645	6.7
186.05544	0.6
190.05104	0.6
190.08705	1.0
192.06633	9.4
192.08192	1.3
194.08176	4.0
204.06564	1.1
217.07721	0.8
219.09233	0.8
220.07661	2.2
231.09244	1.9
233.10777	1.6
234.07472	2.7
235.08586	0.7
238.07162	0.6
246.07755	2.9
247.08730	1.4
249.06674	0.9
250.08644	2.0
251.08180	1.2
253.09796	1.4
259.08679	5.6
259.39597	0.7
261.10315	4.6
266.10190	0.8
271.08865	0.7
275.08588	0.7
276.08969	3.2
277.09732	4.1
278.10550	0.9
289.09802	5.8
291.11346	5.9
293.12866	1.0
303.11197	2.7
313.10556	0.6
321.12369	28.1
322.12692	2.3
323.13992	5.4
337.15527	1.8
353.14999	100.0
354.15295	8.8
358.12863	1.0
363.13379	1.6
381.14371	1.2
413.17252	3.1
501.19711	0.8
517.26520	0.9
577.21368	5.1
598.76605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39007	0.4
53.76002	0.5
55.31055	0.4
59.01373	2.6
59.85935	0.5
60.98985	1.0
60.99300	16.9
61.98835	2.6
65.42023	0.4
71.01380	1.3
71.61963	0.5
78.95877	0.6
85.02930	0.6
87.00863	1.9
88.00401	1.6
88.98796	100.0
89.02435	20.4
89.99117	0.6
96.96001	6.0
101.02440	0.5
120.99563	0.6
122.99242	1.0
124.57465	0.5
125.13320	0.6
161.02515	0.6
179.14496	1.2
223.13414	1.7
332.94171	0.5
344.93900	0.5
347.75607	0.4
393.12802	0.7
471.11316	0.5
577.26819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95068	1.1
57.03427	1.6
59.01374	37.9
70.86075	1.8
70.86426	2.2
71.01378	31.4
72.99289	2.3
73.02934	8.5
83.01366	2.3
85.02933	6.1
87.00859	2.0
89.02435	41.0
90.26377	1.1
96.95982	5.3
97.02904	2.9
98.48979	1.4
99.00867	17.5
101.02430	15.2
102.15435	1.3
109.35831	1.1
113.02415	5.7
115.03970	1.7
119.03518	1.7
125.02435	9.3
131.03497	5.9
135.04506	2.9
138.06877	2.1
143.03479	2.0
149.04562	14.4
151.07619	2.4
152.08415	9.4
153.09207	11.7
157.86894	1.3
161.02377	1.7
161.04477	3.1
163.11227	2.9
165.05667	1.3
173.04568	2.5
179.03427	1.1
179.05544	1.4
191.05580	11.4
205.12285	19.0
205.77719	1.1
213.61125	1.1
233.06628	7.4
293.08670	10.7
385.09042	1.5
517.22815	100.0
518.23016	9.5
577.15613	1.4
589.52527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01904	0.3
59.01369	0.7
61.98824	7.1
63.96224	1.2
69.03428	0.4
70.88408	0.3
71.01366	7.3
73.02935	1.8
76.87670	0.3
78.98586	6.2
79.95727	10.9
80.96503	75.3
81.03429	0.9
85.02932	2.6
87.00863	3.6
91.03976	0.4
94.98073	17.2
95.01340	0.6
96.95993	1.3
97.02940	1.8
99.00900	0.6
101.02441	3.1
106.98076	3.9
111.78200	0.4
119.94114	0.4
122.97578	5.8
125.02413	4.0
127.03978	0.6
134.97562	4.9
136.99101	1.2
146.97505	0.6
148.99113	5.9
152.98616	8.3
164.98593	13.4
165.00003	0.7
167.00117	0.5
182.99605	2.0
206.99692	3.1
225.00700	17.9
226.00922	0.6
242.70943	0.4
243.01686	1.7
247.88606	0.4
277.21719	3.0
299.04340	2.9
369.96503	0.4
577.26746	100.0
578.27118	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	577.268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89052	0.4
54.99043	0.4
59.01367	0.9
61.98822	6.9
63.96230	0.9
69.03452	0.7
70.37227	0.4
70.70152	0.5
70.70492	0.9
71.01375	6.5
73.02938	1.3
78.98585	5.3
79.41753	0.3
79.95727	8.9
80.96507	66.8
81.03423	0.6
85.02951	2.6
87.00867	2.0
89.96124	0.4
94.98074	15.5
96.96011	0.9
97.02953	1.6
99.00839	0.5
101.02428	2.3
106.98071	2.9
122.97575	3.0
125.02416	2.3
127.03967	0.7
134.97571	5.1
136.99097	1.4
148.99129	5.1
152.98610	5.8
153.42052	0.4
164.98618	11.3
178.43311	0.3
178.60046	0.4
206.99654	2.1
225.00713	13.5
226.00940	0.4
277.21628	1.6
299.04327	2.7
399.10019	0.4
439.67358	0.4
577.26776	100.0
578.27197	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	577.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40089	0.4
57.03420	0.6
59.01374	0.8
60.16727	0.4
63.96226	1.0
69.03433	0.6
71.01376	6.6
71.41809	0.8
73.02924	1.6
78.98581	4.8
79.95728	8.3
80.96506	60.5
81.03464	0.7
85.02945	2.6
85.80364	0.3
87.00849	2.2
94.98077	13.5
95.01358	0.7
95.80572	0.4
96.96000	0.9
97.02928	1.3
99.00886	0.6
99.34495	0.3
101.02434	2.3
106.98071	2.5
122.97566	4.8
125.02437	2.7
127.03986	0.6
134.97556	4.4
136.99107	1.2
148.99120	5.0
152.98605	6.4
164.98596	11.3
167.00075	0.4
182.99670	1.9
206.99640	3.0
225.00700	16.2
243.01866	1.7
277.21661	2.7
279.23187	0.8
299.04391	2.7
306.33478	0.4
447.70148	0.3
577.26770	100.0
578.27100	11.3
578.36237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65980	0.3
59.01369	0.9
63.96223	1.0
69.03462	0.5
70.89764	0.5
70.90113	0.7
71.01370	6.8
73.02930	1.6
78.98577	4.8
79.01936	0.5
79.95727	9.5
80.96506	59.2
81.03458	0.9
83.01372	0.4
85.02950	2.8
87.00868	1.9
94.98075	13.8
96.95992	0.9
97.02946	1.6
98.20309	0.5
99.00903	0.4
101.02444	2.1
104.18035	0.3
106.98073	3.3
113.02431	0.4
122.97562	5.2
125.02416	2.6
127.04003	1.1
130.23009	0.4
134.97565	3.6
135.71945	0.4
136.99104	0.8
138.58488	0.3
148.99121	5.6
152.98608	5.9
153.15182	0.3
164.98604	10.1
167.00189	0.6
182.99692	2.3
199.62956	0.3
206.99638	2.8
225.00700	14.0
226.00929	0.5
243.01740	1.3
277.21652	1.8
299.04385	2.4
577.26758	100.0
578.27057	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	577.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
57.03434	3.9
58.00571	1.8
59.01373	38.3
60.29351	0.8
61.98816	4.1
65.06838	0.8
66.41958	0.7
69.03435	1.9
70.98649	0.8
71.01372	55.2
71.12581	1.8
72.99313	2.8
73.02942	16.1
75.00861	2.3
78.73331	0.9
79.07567	0.8
83.01369	5.3
85.02940	21.1
87.00877	2.8
89.02432	26.6
95.01383	3.5
96.96008	2.7
97.02950	2.2
97.76949	0.9
99.00867	7.2
101.02435	41.8
109.02923	0.8
111.07524	0.9
113.02444	19.2
115.04014	1.0
119.03487	6.0
125.02399	4.1
127.97823	0.9
129.01936	1.5
131.03500	5.7
135.04507	1.2
143.03499	4.7
149.04536	6.6
157.59039	0.9
159.02939	3.3
161.02397	3.4
161.04536	15.9
179.03442	1.0
179.03966	1.1
179.05580	10.9
191.05623	2.0
205.15956	1.4
221.06635	2.4
230.20781	0.9
233.06525	1.4
235.08260	3.0
288.47446	1.0
293.08777	2.9
313.95810	0.9
367.12366	1.8
385.22275	48.5
386.22696	4.2
412.01675	1.1
517.26459	100.0
518.26758	9.9
577.27429	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31369	0.4
59.01371	12.4
59.23270	0.5
59.72971	0.5
59.94595	0.5
61.98809	1.0
69.49075	0.5
71.01378	3.5
71.62740	0.9
73.02945	0.7
81.06839	0.4
85.02954	1.1
89.02422	2.1
101.02431	2.1
113.02442	1.3
119.03493	0.6
119.08630	0.6
120.80406	0.5
135.04472	2.4
145.02917	0.9
161.04536	1.1
171.10193	1.4
180.74503	0.5
219.60213	0.5
232.91396	0.5
235.08122	1.2
239.19775	0.5
253.06667	0.8
253.09241	12.0
267.19617	1.2
273.18567	0.8
279.23233	0.9
281.24814	100.0
282.25146	5.2
285.20676	29.0
285.23892	1.1
286.20981	1.2
291.19604	0.9
297.09827	1.0
309.20657	1.5
315.10843	1.7
517.34009	0.8
577.33514	0.7
577.41077	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	578.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
63.99247	0.5
69.39492	0.8
69.39915	0.5
71.01398	0.2
88.89307	0.1
98.20621	0.3
106.95347	0.2
152.26453	0.2
241.22034	0.1
241.79662	0.1
518.29529	0.8
531.70697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93702	0.3
59.01378	1.3
61.98821	100.0
65.64845	0.3
71.01370	0.4
71.61328	0.4
77.36745	0.3
78.95905	0.7
96.96025	0.5
183.39618	0.3
194.75005	0.3
277.18134	0.5
355.14212	0.3
500.46899	0.3
514.44196	0.3
524.84174	0.3
552.41370	0.3
567.13312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35038	0.4
59.01371	15.4
59.01674	0.7
62.32999	0.3
69.36413	1.6
69.36845	1.2
70.55397	0.3
71.01366	0.8
73.02959	0.4
78.46188	0.3
78.95894	6.0
78.98593	0.5
79.95735	1.5
80.96506	9.3
94.98059	2.8
101.02457	0.4
104.68574	0.3
106.98064	0.7
113.56773	0.3
122.97574	0.8
125.02408	0.3
134.97574	0.5
138.63321	0.3
152.98569	0.9
152.99583	1.0
164.98581	1.0
168.04298	1.0
206.99670	0.4
224.06969	1.3
225.00606	2.1
225.52802	0.3
242.07990	2.9
277.21420	0.3
279.23239	100.0
280.23578	5.4
447.16718	0.4
481.61340	0.4
504.30887	38.1
505.31168	3.9
578.27112	18.2
578.36310	0.8
579.27142	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	578.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65073	0.3
59.01373	20.1
60.24113	0.4
61.98810	1.4
70.27321	1.2
71.01342	0.4
78.95895	20.0
78.98594	0.6
79.95720	0.8
80.96510	5.3
94.98099	0.8
119.99223	0.3
122.98484	0.5
152.83336	0.4
152.98532	0.4
152.99597	3.6
164.98561	0.5
168.04298	3.1
188.71466	0.3
219.66498	0.3
224.06892	9.1
225.00768	0.9
226.00719	0.3
242.07904	2.1
261.22305	0.4
278.21899	0.4
279.23239	100.0
280.23593	6.0
329.92252	0.4
504.30890	76.2
505.31189	6.5
542.00122	0.4
575.56372	0.4
578.27142	8.5
579.27264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24725	0.7
59.01378	8.5
60.16270	0.7
63.02382	1.1
69.19777	0.9
69.81279	3.1
69.81696	1.7
71.01367	8.6
73.02934	4.2
83.01376	1.4
85.02946	1.0
89.02440	7.3
96.95973	0.7
99.00870	9.7
101.02428	3.9
107.01369	2.4
109.02887	1.0
113.02427	1.3
117.03405	1.3
121.02911	1.0
125.02419	2.4
133.02945	16.1
134.03781	4.6
135.04504	100.0
136.04819	2.4
137.02441	0.9
149.02405	2.0
151.00320	4.5
161.02414	66.5
162.02736	1.4
175.03928	2.4
179.03467	93.1
180.03815	3.4
189.05296	1.0
191.05507	1.9
195.06273	0.8
199.03923	2.5
200.04810	1.0
201.01930	1.1
203.03546	1.1
207.06621	4.2
220.17650	0.8
227.03412	0.8
241.05090	0.9
246.62044	1.0
251.03188	1.5
251.05591	20.2
252.05908	1.3
253.17847	1.1
256.03677	1.8
283.02448	0.8
284.03214	52.1
285.03995	89.3
286.04440	4.1
293.06610	1.4
309.03766	1.0
311.07690	23.7
312.08051	1.2
353.08707	45.8
354.08862	2.1
383.09741	43.5
384.10007	2.3
394.83380	1.1
413.10800	65.6
414.11142	3.9
418.37799	0.8
437.10632	2.9
443.11505	1.0
447.09540	4.1
455.11774	1.3
473.12872	11.7
519.24493	6.9
577.32928	1.0
579.13434	91.4
580.13739	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	579.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
58.51312	0.3
59.01371	19.1
61.98822	2.3
69.03455	0.3
71.01377	3.4
72.99297	0.4
73.02935	1.1
85.02944	1.1
87.00867	0.4
89.02428	2.4
93.03428	0.5
95.01369	0.4
97.02884	0.4
97.33558	0.3
98.20621	0.9
99.00879	0.7
101.02427	1.5
113.02440	1.3
115.03951	0.3
117.03458	5.2
119.05009	50.4
120.05359	1.3
121.02962	0.6
123.00888	0.5
123.04515	0.3
124.01665	2.1
125.02422	0.8
134.03705	1.5
135.04504	1.2
139.04005	1.3
145.02933	19.0
146.03281	0.6
149.04587	0.7
149.05986	0.4
158.98384	0.3
160.01747	0.3
161.02417	0.6
161.04582	0.3
163.03983	100.0
164.04317	3.2
170.63817	0.3
175.03981	0.7
179.03447	0.7
190.02766	0.4
191.05487	0.3
193.05022	1.1
205.05022	0.5
222.05252	0.4
275.07690	0.9
281.08044	0.7
285.03693	0.4
293.08694	0.3
296.55942	0.4
297.07562	1.6
309.07611	1.6
309.11014	0.6
312.09897	1.5
323.08990	0.4
324.10083	2.1
327.08542	0.6
327.12323	8.8
328.12668	0.4
339.08023	0.4
339.12283	7.5
340.12756	0.5
387.19833	0.5
417.13791	0.6
439.12393	1.9
519.24347	3.1
579.16998	9.8
579.25964	0.5
580.17010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48182	0.6
59.01369	3.3
63.02391	2.2
65.00320	10.9
70.79008	2.1
71.01369	3.3
73.02936	0.6
75.27620	0.6
83.01378	6.5
83.65587	0.6
88.98848	0.8
89.02436	1.7
93.03458	5.2
99.00903	1.6
101.02434	1.2
107.01376	17.5
108.02193	1.3
109.02926	0.8
110.16528	0.6
113.02454	1.0
113.66656	0.6
116.92864	0.6
117.03427	1.4
119.05014	37.1
120.05409	1.0
121.02935	1.6
123.00819	0.9
125.02441	4.4
133.02971	3.1
135.04498	14.1
136.01587	1.5
137.02437	3.8
139.00383	0.8
143.04984	1.2
145.02946	5.1
149.02368	1.2
151.00351	96.5
152.00742	1.9
152.04770	1.0
161.02412	12.5
161.06102	1.3
164.01112	1.3
165.01924	4.2
166.02699	23.0
167.03326	1.0
169.01350	0.7
175.00336	1.2
177.01877	8.3
179.03477	15.4
181.05043	29.6
185.06056	1.8
187.03990	2.5
193.01349	1.9
205.01244	0.8
207.06607	0.9
209.04462	0.9
227.07082	2.5
229.04984	0.7
235.02477	2.2
245.93289	0.8
251.05579	2.5
269.04413	1.9
270.04846	1.7
271.06082	55.2
272.06540	3.2
311.07556	3.2
313.07074	3.1
339.07025	1.4
353.08734	6.9
359.11026	0.8
383.09756	7.6
387.10767	6.2
402.13205	2.6
413.10846	11.3
417.15506	43.1
418.15872	3.1
459.11374	17.6
460.11691	1.1
473.12857	2.8
579.17072	100.0
580.17487	10.0
609.52490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23291	1.9
59.01373	100.0
61.98821	10.6
70.45389	1.9
71.01378	13.9
71.02473	6.0
72.99284	2.6
73.02949	2.6
75.00858	4.3
85.02917	4.1
87.00878	2.2
89.02426	8.7
99.00854	3.2
99.04526	2.2
101.02412	7.9
109.02910	2.4
113.02437	5.8
115.36056	1.9
117.03446	3.9
119.05011	28.6
121.02985	2.1
123.04510	2.2
133.02908	3.1
134.03703	2.8
135.04482	6.9
145.02954	16.2
149.02370	2.8
149.04454	3.7
149.48589	1.7
149.55016	1.9
151.00322	2.2
152.01158	3.1
153.09192	3.9
159.04478	2.1
161.02428	10.4
161.04584	3.5
163.03998	35.6
165.03983	3.2
169.51895	1.7
175.03952	2.6
177.05476	3.0
179.03566	4.7
191.07159	4.4
192.60037	1.9
195.06619	3.0
205.04956	4.2
207.13802	2.5
217.04854	2.1
232.92729	2.2
235.06131	9.6
237.07578	2.2
238.33603	2.1
251.12807	5.3
285.04065	4.0
295.08041	17.7
297.07642	5.7
297.10992	1.9
309.07623	11.2
309.11035	3.8
312.09937	7.8
324.09958	6.3
327.12305	38.7
337.09103	8.8
339.12329	34.5
357.13257	2.4
367.10422	11.5
397.11221	7.0
417.14191	5.3
431.19000	8.5
439.13083	2.4
519.24640	9.1
579.16479	10.0
579.22852	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	579.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74441	2.6
59.01373	60.7
61.98825	17.8
70.34089	4.4
70.34479	6.8
71.01372	39.7
72.99305	2.6
73.02940	9.3
85.02944	8.7
87.00880	3.6
89.02432	38.3
93.03439	4.0
96.96008	5.6
99.00903	10.8
101.01797	2.4
101.02431	16.8
109.02883	2.7
113.02420	14.7
116.92851	2.8
117.06819	2.3
119.03487	14.8
119.05019	2.5
121.02943	5.6
125.02407	2.6
131.03444	3.4
133.02927	21.4
134.03723	7.8
135.04509	100.0
136.01648	23.6
137.02437	3.8
143.03517	3.6
145.02905	3.2
149.04524	2.8
151.03993	34.9
160.01605	3.6
161.02431	72.0
161.04558	10.2
162.02762	5.1
163.04025	6.7
173.04532	3.6
175.04028	6.3
177.05533	5.5
179.03471	94.7
179.05554	10.1
179.06947	3.3
180.03911	3.6
191.05655	3.8
193.04939	2.9
201.57118	2.3
205.05101	4.1
207.06731	4.4
232.66148	2.4
251.05531	17.9
281.08310	6.0
309.07596	19.0
311.07590	18.3
324.10016	13.2
325.09494	2.4
339.12292	27.2
342.11121	9.7
353.08676	42.0
357.13364	65.8
358.13721	3.9
370.92102	2.6
383.09775	37.3
404.04520	2.3
413.10767	63.6
417.15347	3.8
439.28488	2.8
473.13025	19.6
579.22192	8.2
579.30890	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	579.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	0.5
69.41785	3.8
69.42195	1.1
71.01373	1.5
73.02980	0.6
78.93796	0.5
81.03453	0.5
83.01390	0.6
84.02179	0.6
85.02943	0.9
89.02447	1.4
92.81862	0.5
99.00886	0.9
101.02405	0.5
108.37820	0.6
109.02935	2.1
111.00832	0.9
123.00890	2.1
125.02393	0.6
125.17919	0.6
133.02936	2.6
135.04521	11.7
136.04890	0.7
137.02426	9.1
139.03955	0.6
149.02382	1.3
151.00363	16.0
151.03975	1.4
152.01073	1.1
152.04739	2.0
161.02414	7.7
165.01903	0.6
166.02693	53.8
167.03407	2.9
175.04044	1.2
177.01909	2.5
178.02698	0.6
179.03493	9.4
181.05048	66.2
182.05376	1.8
191.03436	0.8
193.04948	1.0
195.02908	0.8
205.08647	1.4
207.06615	2.2
251.05612	2.1
268.03488	0.8
269.04504	3.1
270.04733	2.0
271.05154	2.4
280.69571	0.6
301.07205	0.7
311.07663	2.2
353.08820	4.8
359.11389	1.7
383.09869	5.4
387.10767	13.9
388.11130	0.7
402.12982	5.9
413.10809	7.9
417.15479	100.0
418.15814	8.5
473.12985	3.2
493.65863	0.6
579.16278	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	579.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	32.6
69.11248	0.5
69.43018	3.8
69.86247	0.6
71.01384	4.1
73.02947	0.6
74.17216	0.5
75.00869	1.0
76.19749	0.5
85.02956	1.9
89.02423	1.7
93.03448	0.6
95.01324	0.6
98.19865	1.0
101.02421	2.7
108.02191	0.6
113.02428	2.0
116.92797	0.6
119.03488	0.9
119.04987	1.4
121.02934	4.6
122.03701	1.6
123.00877	0.8
136.01643	40.2
137.02486	3.2
151.00340	1.9
151.03986	62.2
152.04372	2.9
160.05338	1.0
161.04552	2.1
162.03181	1.1
163.03995	2.4
175.07610	1.0
177.05487	0.9
179.03429	1.1
179.05560	0.8
193.04915	0.6
209.04556	2.5
250.30450	0.5
271.06137	2.2
281.08221	0.7
309.07721	1.1
324.10083	0.9
339.12347	1.2
342.11044	12.6
343.11383	1.0
357.13373	100.0
358.13733	6.4
579.17157	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	579.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01703	2.3
61.98815	1.8
66.97758	1.4
70.23303	4.7
71.01372	6.5
72.19971	1.1
73.02920	1.6
85.02970	1.7
89.02445	7.1
92.57055	1.2
93.03414	1.2
99.00896	1.4
99.04500	1.3
101.02428	4.2
113.02443	1.2
119.03503	1.3
119.05016	6.8
121.02924	1.9
133.02948	1.8
135.04507	2.7
145.02956	5.7
150.03168	1.1
161.02400	5.8
161.04533	1.5
163.03986	10.4
165.04018	1.3
174.83809	1.2
175.03949	1.9
179.03345	1.1
179.61392	1.1
235.50443	1.1
251.12836	2.9
281.08118	2.9
295.08209	4.4
297.07715	6.4
309.07687	11.5
309.11035	2.1
312.10043	7.8
323.09006	2.5
324.09921	13.0
327.12344	40.8
328.12933	2.1
337.09299	2.0
339.12289	35.1
340.12466	2.1
357.13678	1.8
367.10342	2.8
397.11282	3.6
406.46780	1.3
413.11194	1.2
417.14044	3.4
431.19019	1.5
519.24329	8.6
579.14423	2.0
579.22626	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	579.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31659	0.9
57.03440	2.2
59.01373	11.0
60.87742	0.8
61.98813	3.9
69.03455	1.0
71.01366	6.3
71.61138	1.2
73.02928	3.2
75.00856	1.1
76.13447	0.9
83.01378	3.4
83.04999	1.3
85.02943	1.9
87.00877	2.1
89.02427	1.6
93.03474	4.7
96.96000	1.1
97.06589	1.3
99.00858	1.5
101.02425	4.0
107.04994	2.3
108.01435	2.0
108.02160	31.3
111.04514	1.6
111.08768	0.8
111.22855	0.9
113.02435	2.9
114.06635	0.8
120.05754	1.7
121.02933	2.8
123.04517	15.5
135.04518	1.7
139.11267	2.3
145.02942	1.4
152.01131	68.8
153.01480	2.1
161.02409	1.5
161.04517	1.2
161.09683	4.1
161.13319	1.8
163.11147	1.3
167.03471	100.0
168.03757	2.6
173.04526	17.2
179.03468	1.3
179.10757	1.0
183.10254	1.8
187.11259	6.4
188.66447	1.0
189.09160	4.2
199.13312	1.1
205.12317	3.0
207.10185	2.4
223.13309	3.4
231.10231	2.7
243.12367	5.6
249.11256	5.1
266.10321	1.6
267.12286	1.9
271.55008	1.0
291.12381	1.4
309.13278	1.1
321.69406	0.9
328.85571	1.1
329.09012	1.4
333.13269	1.8
351.14587	1.3
356.08694	1.0
356.12286	4.8
371.15002	7.5
411.16571	16.0
417.17587	17.7
418.17734	1.2
459.29361	1.5
579.20844	24.1
579.29956	3.0
580.21021	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14061	0.4
59.01377	3.2
71.01380	2.6
71.61012	0.5
73.02947	0.4
85.02937	0.7
89.02427	3.1
93.03458	2.3
96.96007	0.7
98.95593	0.5
101.02431	1.2
109.02949	0.5
113.02444	0.5
117.03441	0.8
118.51266	0.4
119.05014	100.0
120.05362	2.4
131.03494	0.5
133.02911	1.1
135.04514	1.0
137.02409	1.5
145.02968	0.5
149.04515	1.9
161.02390	1.9
163.03990	94.4
164.04305	3.1
173.04515	1.0
177.89417	0.4
179.03517	0.5
191.05556	0.5
191.07588	0.3
193.36632	0.4
213.07661	1.0
225.11218	0.5
225.17790	0.4
238.64455	0.4
318.08481	2.6
415.15906	0.4
417.17056	0.6
470.90604	0.4
534.83185	0.4
579.22388	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	579.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.8
61.98818	0.5
69.03477	0.4
69.47235	0.6
69.47644	2.0
71.01355	2.0
73.02946	0.5
85.02955	0.8
89.02429	2.8
93.03445	2.1
96.95990	0.6
98.95610	0.7
101.02454	1.3
111.74673	0.3
113.02470	0.6
119.05009	100.0
120.05332	3.1
131.03403	0.6
135.04509	0.5
135.95451	0.4
136.26723	0.3
137.02412	0.8
145.02905	0.6
149.04575	1.4
161.02388	1.4
162.02818	0.3
163.03989	85.9
164.04329	2.7
173.04498	0.7
191.05722	0.7
213.07672	0.5
318.08478	0.5
415.15836	0.4
417.17694	0.7
579.22534	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	579.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01741	1.1
59.01363	5.1
61.74273	1.2
61.98817	4.4
71.01358	2.2
71.61811	1.7
75.00873	1.2
78.95895	65.2
89.02435	1.2
96.96951	12.1
152.99574	99.3
171.00597	2.8
223.00055	10.4
241.01143	25.2
259.02429	1.2
263.20111	49.5
264.20486	2.7
281.21353	1.1
315.04819	13.0
331.15891	1.5
454.51678	1.2
502.54498	1.2
566.01697	1.3
579.25690	100.0
580.25891	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	579.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21236	0.5
59.01377	2.9
60.99301	13.3
61.98812	1.3
71.01386	0.7
81.36458	0.5
87.00877	3.2
88.00391	2.8
88.01220	0.6
88.98795	100.0
89.02433	47.2
89.03240	0.8
89.99170	0.8
101.02413	0.8
111.24802	0.5
117.67474	0.5
146.88454	0.5
187.11279	0.9
193.74422	0.5
205.12216	0.6
329.18958	0.6
347.17038	0.7
357.22681	0.6
373.60327	0.6
489.27383	0.8
530.91376	0.6
579.28809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87462	0.3
58.65195	0.4
59.01365	2.0
61.98822	2.5
63.96228	1.2
65.88329	0.3
69.03441	0.7
69.29572	1.9
69.30000	1.3
69.93479	0.3
70.06485	0.3
71.01372	6.5
72.40894	0.4
73.02959	1.8
78.95904	0.9
78.98578	5.2
79.95725	8.4
80.96505	63.4
81.03461	1.2
83.01398	0.4
84.26924	0.3
85.02932	2.1
87.00867	2.3
94.97458	0.7
94.98076	14.1
95.01392	0.5
96.96006	1.3
97.02938	1.5
98.20572	0.8
101.02412	2.8
101.70459	0.3
106.98065	3.1
113.02477	0.4
122.97569	5.2
125.02449	2.6
127.04002	0.7
134.97559	4.0
136.99130	1.2
141.81218	0.4
146.97569	0.3
148.99107	5.1
152.98610	6.7
156.32942	0.3
163.83127	0.3
164.98601	9.7
167.00166	0.5
182.99667	2.3
197.77068	0.3
206.99661	2.8
225.00705	15.4
243.01787	1.7
254.20656	0.4
279.23184	2.7
281.24759	4.2
294.28033	0.3
299.04355	2.8
506.32455	3.6
579.28339	100.0
580.28735	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	579.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
57.03433	3.2
58.00581	1.1
59.01371	24.5
61.98825	8.0
71.01375	43.0
71.60938	1.5
72.99306	1.6
73.02934	14.0
75.00877	1.1
77.69168	0.9
78.95892	2.4
83.01374	4.8
85.02938	20.7
87.00847	2.2
89.02444	5.8
89.52454	0.9
95.01379	4.3
96.95994	2.0
97.02975	1.4
99.00867	5.8
99.01424	0.9
99.65394	1.0
101.02429	34.6
113.02431	19.2
119.03506	2.2
123.14552	0.9
125.02431	1.2
143.03514	2.1
153.41969	0.9
159.02962	3.6
161.02437	1.7
161.04544	14.5
161.05899	1.8
179.03447	1.7
179.05484	1.6
263.07614	1.3
269.13882	1.1
274.30408	0.9
357.22754	14.1
387.16428	1.2
470.77896	1.1
519.28033	100.0
520.28412	8.7
579.28967	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	579.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
60.01703	0.2
61.01794	0.3
61.98822	100.0
62.75766	0.1
63.14608	0.1
69.24862	0.8
69.25288	0.5
78.56417	0.1
78.95883	0.9
86.66307	0.1
152.99588	0.7
242.07967	0.2
244.08289	0.2
268.37180	0.1
275.13324	0.1
277.21686	4.3
278.22021	5.6
279.09155	0.1
279.22299	3.4
280.22580	1.9
325.48959	0.1
404.19012	0.1
431.22150	0.2
447.91486	0.1
502.29272	0.9
503.29449	0.7
504.29947	1.1
505.30246	3.2
506.29526	0.1
579.30957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
61.98823	100.0
62.05887	0.2
69.40916	1.3
72.98142	0.1
78.95903	2.1
80.96322	0.3
141.82922	0.1
152.99580	0.7
168.04283	0.3
169.59018	0.1
224.06921	0.4
226.07523	0.2
231.28040	0.2
277.21704	3.0
278.22043	3.2
279.22296	2.2
280.22620	1.0
365.26559	0.2
431.22391	0.2
502.29324	1.4
503.29538	0.9
504.29938	1.5
505.30212	4.1
561.28479	0.2
579.28796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	17.5
62.75024	10.8
65.48205	12.6
69.43317	100.0
69.70207	10.8
69.95918	10.7
78.95789	11.0
134.78323	12.1
221.35037	12.1
283.26859	12.4
306.84308	12.6
404.46765	11.8
456.32690	13.3
517.10535	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	579.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34689	1.0
59.01363	3.9
61.98816	2.3
65.73696	1.0
71.01369	2.0
78.95892	3.3
79.95728	1.6
80.96488	4.4
84.22247	1.2
94.98048	1.4
96.95992	4.5
99.08122	1.7
107.08643	4.5
119.08640	5.7
120.51756	1.1
137.09796	1.2
141.12865	1.6
171.08791	1.2
171.10252	22.4
183.10350	1.6
185.11801	3.5
206.81253	1.2
210.58264	1.1
217.19615	1.7
229.19545	3.1
255.23225	3.9
261.18433	3.0
269.21149	5.1
273.18594	7.7
279.19519	2.9
281.24844	3.3
285.20538	2.4
287.22266	57.2
288.22662	2.8
291.19556	11.2
309.20657	25.8
310.20926	1.4
392.47345	1.5
441.32053	4.6
444.99829	1.3
506.32571	3.6
538.01550	1.3
543.40515	2.9
561.41608	5.6
579.29059	13.2
579.42590	100.0
580.42847	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88055	0.4
59.01375	4.0
61.84802	0.4
61.98806	1.0
68.93005	0.4
70.65916	0.4
70.88862	0.7
70.89214	0.7
71.01365	1.7
76.94917	0.4
78.95888	3.5
78.98573	0.8
79.95730	1.5
80.96509	9.0
94.98076	2.5
96.95994	1.6
97.06541	0.7
99.08134	1.4
101.02438	0.5
105.12994	0.4
119.08650	1.8
122.97507	0.5
134.97530	0.6
141.12820	2.3
148.99123	0.8
152.98520	0.9
152.99588	1.4
155.14442	1.0
164.98595	2.1
171.10260	4.0
185.11853	0.7
222.60794	0.5
224.06999	0.8
225.00804	2.1
229.19629	1.4
241.21733	0.7
255.23241	2.1
266.17880	0.4
269.21042	3.6
273.18530	3.1
279.23187	0.6
281.24835	12.7
285.20645	1.5
286.85474	0.5
287.22232	100.0
288.14111	0.5
288.22562	6.0
291.19580	3.7
299.04346	0.8
309.20749	3.7
316.77179	0.4
333.03223	0.5
441.23557	0.5
506.32541	10.5
579.28369	16.2
579.42609	24.4
580.28650	2.5
580.42609	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	579.426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79818	0.4
57.03429	0.4
59.01371	2.5
61.98818	1.0
64.63223	0.4
69.72159	1.1
69.72589	1.4
71.01369	0.8
78.95891	3.0
78.98580	0.9
79.95733	1.0
80.96507	9.0
83.45348	0.4
93.38419	0.4
94.98060	1.9
96.95992	1.2
97.06535	0.4
99.08147	1.6
106.98103	0.5
115.28896	0.4
119.08633	1.8
122.97447	0.4
129.09187	0.8
134.97519	0.7
136.05676	0.4
141.12827	2.5
152.98549	0.8
152.99649	0.9
155.14372	0.6
164.98605	1.7
168.04227	0.6
171.10255	4.0
185.11812	0.5
189.62204	0.3
224.06799	0.9
225.00772	2.1
229.19479	0.8
241.21732	0.9
255.23235	0.8
261.18494	0.4
269.21176	3.6
273.18549	3.0
277.82416	0.4
281.24814	12.7
285.20706	2.1
287.22232	100.0
288.22571	5.0
291.19553	4.2
309.20673	4.1
310.20911	0.4
483.27859	0.5
506.32443	8.2
579.18866	0.7
579.28381	14.9
579.42578	21.9
580.28674	1.6
580.42694	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	580.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01702	0.4
61.86200	0.4
61.98828	2.6
69.03465	0.4
69.27087	0.6
69.27443	3.8
71.01357	0.7
77.57024	0.4
88.33718	0.3
91.05536	0.7
93.03409	0.4
95.05017	0.4
96.96006	0.5
98.20629	0.9
101.02470	0.5
102.98960	0.4
106.04224	1.3
107.05066	0.4
111.00874	0.4
116.05055	2.5
117.05388	0.6
118.06604	3.4
118.07236	0.4
119.05012	2.6
135.04561	0.7
137.06065	22.8
138.06407	0.7
143.03496	0.4
143.05092	0.4
144.04533	0.5
145.05498	0.4
145.06598	1.7
146.06113	1.1
147.04495	4.0
149.06053	0.9
152.03470	1.8
153.03842	0.4
157.05240	0.5
157.07652	0.5
160.04063	1.0
160.45981	0.4
161.02437	0.5
161.04813	0.8
161.06113	0.4
162.05576	1.1
163.07599	0.4
164.07172	2.5
174.05586	2.2
175.06219	0.4
176.07149	4.1
178.05057	2.2
179.07127	0.9
184.89145	0.3
190.05093	0.4
194.08217	1.3
206.08200	1.1
208.09703	0.7
220.06104	0.7
223.13438	1.0
224.10814	0.4
228.10234	0.5
236.09253	1.4
246.09712	0.4
248.10794	2.4
252.08783	0.9
264.10425	1.1
266.11774	1.2
274.08646	0.5
280.13437	5.2
282.11359	0.4
292.09866	1.2
294.11606	0.5
306.11313	6.2
308.12900	0.6
312.16110	0.9
313.10532	0.9
324.12308	3.8
331.11862	0.6
338.13980	3.7
339.14575	0.6
340.11487	0.5
340.15533	0.7
342.13348	2.4
356.14975	12.7
357.15131	1.2
366.13287	2.0
373.12985	1.1
374.15970	1.8
384.14502	0.6
398.16010	9.7
399.16226	1.0
409.14175	0.9
410.14301	2.3
416.17020	2.4
442.17056	0.7
444.17941	0.8
462.19153	1.0
497.82687	0.3
504.20496	0.4
580.21832	17.4
581.22131	2.5
588.54059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52220	0.3
53.44287	0.3
55.08612	0.2
59.01371	14.0
61.98825	2.2
62.37146	0.2
63.96261	0.2
63.99253	0.3
68.07974	0.2
69.57080	1.2
71.01385	0.6
78.95891	5.7
78.98580	0.4
79.95718	0.8
80.96503	5.0
94.98076	1.3
96.95973	0.4
99.77752	0.2
101.02411	0.3
122.97570	0.4
125.02382	0.4
131.71747	0.2
135.66486	0.3
148.99110	0.5
152.98584	0.4
152.99567	1.3
164.98601	0.8
168.04224	1.6
182.99722	0.3
205.75189	0.2
224.06862	0.8
225.00684	1.1
226.00943	0.4
242.07880	2.2
281.24802	100.0
282.25150	5.5
506.32416	37.3
507.32867	2.9
580.28674	11.0
580.35651	0.3
581.28564	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	580.361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.5
61.98806	0.7
70.83445	0.6
70.83789	0.6
78.95895	21.8
80.96511	1.4
96.36872	0.4
96.96001	6.0
97.88042	0.4
111.85000	0.3
122.98481	0.6
143.21379	0.3
152.99570	3.3
153.94177	0.4
168.04277	2.9
188.59177	0.4
224.06898	7.8
242.08003	1.8
255.23247	1.0
279.23325	0.4
281.24811	100.0
282.25140	6.1
287.22250	1.4
288.22537	1.0
288.34485	0.4
289.77219	0.4
483.27451	0.5
506.32434	70.9
507.32837	7.3
521.29114	0.6
579.42834	0.5
580.28644	2.0
580.42780	1.1
581.29364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02950	2.7
58.03231	0.7
59.01365	4.2
63.03378	0.8
69.03435	1.3
69.85885	1.6
69.86280	2.1
71.01362	3.0
72.00895	3.9
72.04535	1.3
74.00687	10.9
74.02464	6.6
75.00861	1.2
82.02963	12.2
83.01374	3.4
83.02510	1.3
84.00895	2.0
85.02931	2.5
85.04048	1.0
86.02482	4.3
87.00851	1.0
87.05611	1.9
89.02429	3.1
94.44920	0.8
96.04551	8.7
97.04063	4.6
98.02464	7.0
98.06087	1.3
99.00859	1.3
99.05632	9.5
99.32914	0.8
100.00386	5.6
100.04053	4.2
101.01772	1.4
101.02429	18.0
101.07170	1.3
104.02863	1.8
104.03526	28.5
108.04534	10.3
109.04066	0.9
110.02444	3.3
110.06102	3.4
111.01930	1.0
111.04443	0.8
111.05607	5.9
112.04048	7.6
112.07661	2.9
113.02409	1.6
113.03554	1.9
115.05077	1.8
116.01780	0.9
122.06092	2.6
124.04018	7.1
124.07610	0.8
125.03509	1.4
125.04820	1.5
126.05594	19.0
127.04212	0.8
127.05081	4.4
129.06682	23.8
130.01456	6.8
136.00708	3.6
137.07199	1.5
138.05560	1.8
140.03493	1.8
140.07208	4.9
143.04536	1.5
146.02782	1.1
151.05107	1.7
151.08682	0.9
152.03488	3.3
152.07138	1.8
153.06709	1.0
154.05083	3.5
155.08237	7.0
157.06120	2.1
158.02774	1.6
165.06685	8.7
167.08234	2.2
169.06126	2.3
170.04529	5.4
170.08238	1.3
171.07651	0.8
177.04117	1.0
179.05658	1.1
181.06122	3.1
183.07695	9.4
185.09254	3.0
191.05577	5.0
195.04970	1.8
195.07733	11.5
204.03302	6.1
207.04369	1.4
211.07150	1.8
213.08769	9.8
215.06711	2.5
223.06125	1.0
227.06726	11.4
239.06648	2.3
245.05853	6.3
257.07748	49.0
258.08081	1.8
261.05319	1.9
289.04950	44.9
290.05209	2.4
291.06522	100.0
292.06693	2.8
323.03711	4.0
403.12085	1.8
581.12122	61.0
582.12354	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	581.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	4.5
71.01359	4.8
71.14609	2.1
71.14952	3.3
72.00880	3.5
74.00682	8.1
74.02457	6.5
78.95940	2.2
82.02975	14.1
83.01371	3.1
84.00905	2.7
87.00867	2.7
87.05629	2.6
89.02437	4.8
96.04546	11.5
97.04047	4.9
98.02450	6.4
99.05627	8.4
100.00397	5.4
100.04040	4.6
101.02423	18.8
101.07217	2.1
104.03528	31.1
108.04573	10.4
110.02483	3.7
110.06100	3.8
111.05621	5.1
112.04028	7.6
112.07654	3.5
113.02433	2.6
119.05006	2.4
122.06090	2.6
124.04029	8.0
126.05579	19.4
127.05074	6.1
127.65220	1.8
129.06689	28.4
130.01450	5.4
136.00706	3.2
137.02411	2.4
140.07130	4.6
151.05057	2.6
152.03439	5.1
152.07098	2.5
154.05005	2.6
155.08163	6.2
163.03938	8.1
165.06635	6.8
167.08229	2.1
170.04549	3.0
179.05566	5.1
179.37758	1.9
181.06157	4.0
183.07770	14.8
185.09227	3.6
191.05557	5.5
195.07719	9.1
204.03297	5.9
213.08836	11.2
215.06671	2.1
221.06656	3.3
227.06699	11.5
239.06618	2.3
245.05902	3.4
257.07751	49.3
261.05536	2.3
289.04956	48.1
290.05301	2.4
291.06522	100.0
292.06815	3.5
362.65942	2.2
581.02905	3.9
581.12097	69.4
582.12195	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	581.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19690	0.6
50.60384	0.7
55.01849	0.7
55.97717	0.7
58.00586	1.4
59.01372	26.4
61.98817	3.7
65.81652	0.6
67.01882	0.8
68.99809	2.2
69.03458	0.8
69.36446	5.5
71.01373	16.9
72.99313	1.0
73.02953	1.4
75.81407	0.6
78.37557	0.7
78.91877	0.9
83.01378	0.9
84.30985	0.7
85.02947	4.2
87.00858	0.8
89.02430	22.6
93.03442	2.2
95.01379	4.6
99.00883	1.0
101.02435	13.9
102.02731	0.7
107.05019	2.9
109.02917	3.6
111.00859	1.1
113.02427	6.5
119.03488	6.9
119.04991	1.2
121.02950	1.0
123.00829	0.7
125.80313	0.6
127.03899	1.0
131.03531	1.5
133.02940	7.1
134.03737	7.4
135.04507	100.0
136.04771	3.4
137.02417	9.8
137.06078	0.8
138.02789	1.2
139.00404	2.1
143.03487	2.1
149.04451	1.0
151.00334	6.4
151.04004	1.2
152.00725	1.9
152.03522	0.9
152.04781	1.1
153.05539	1.0
159.04512	0.9
161.02419	20.1
161.04564	2.2
162.02765	1.6
163.03981	1.7
165.01968	0.9
166.02690	17.1
167.03027	9.5
168.03227	2.7
175.04015	1.2
176.04648	0.8
177.01817	1.2
178.02335	0.9
179.03471	84.1
179.05534	5.6
180.03772	3.4
181.05055	26.2
181.06236	0.7
182.05348	10.3
183.05493	4.3
189.02034	1.2
191.03505	0.9
191.07115	1.0
194.05846	2.3
195.06598	2.5
201.05597	1.0
203.03537	1.3
207.03014	0.9
207.06133	0.7
209.06261	1.1
209.08118	4.0
213.07686	1.2
221.04605	0.9
227.03503	4.5
239.05528	3.5
251.05560	0.9
253.05087	2.4
253.08664	0.9
255.06548	0.9
267.53494	0.7
269.04288	0.7
281.07556	0.9
292.03806	1.1
297.04114	1.4
299.05569	10.8
307.06009	1.1
325.07172	2.7
341.06650	1.1
343.08142	0.8
353.08792	0.8
369.06015	12.9
370.06366	0.8
375.12875	1.5
384.10275	0.7
387.10657	2.1
388.11191	2.9
389.11441	3.6
401.08691	2.4
402.13083	0.7
403.13351	1.4
404.13895	1.5
407.29980	0.6
414.11346	0.9
415.11304	1.3
417.15524	10.3
418.15836	18.0
419.11676	4.4
419.16312	26.7
453.14053	1.3
465.63510	0.7
475.13449	0.8
491.39075	0.8
547.22656	0.9
581.17084	2.3
581.34302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74556	2.6
59.01372	80.1
61.98821	100.0
68.99802	6.0
69.03429	7.0
69.31938	13.3
69.32367	8.4
71.01371	53.8
73.02925	8.4
74.45576	2.6
74.47790	2.5
75.00857	4.0
81.03423	2.4
83.01357	4.0
85.02930	9.5
89.02435	66.9
91.04625	2.4
93.03451	56.3
95.01400	5.4
95.05014	2.4
96.96011	3.1
97.02944	7.6
99.00887	15.2
99.04484	3.0
101.02433	26.5
107.03304	2.8
107.05009	3.0
111.00855	8.1
113.02436	10.1
115.04002	5.0
117.03469	5.1
119.05005	8.2
119.91006	2.4
121.02948	27.9
123.04549	3.0
124.24678	2.2
125.02444	34.6
127.03987	6.9
131.03458	9.0
131.17867	2.6
135.04535	7.1
136.01587	2.6
137.02428	53.1
137.06081	3.0
139.00327	2.8
149.02489	3.3
149.04463	12.0
151.03958	3.6
151.07613	7.3
153.09183	7.7
160.01607	3.4
161.02426	6.1
161.04474	3.3
163.04042	4.7
165.05476	2.5
168.00597	3.8
171.02942	2.5
179.03403	7.6
183.10213	5.5
191.05554	10.0
195.06572	6.6
197.06090	6.5
197.08127	5.2
223.06151	4.1
227.07115	33.2
233.06668	28.0
255.39375	2.5
291.08740	26.1
293.08731	77.3
315.12317	6.0
317.10370	5.2
318.43027	2.8
358.12750	4.5
404.08850	2.6
413.10843	37.4
581.22400	10.2
581.31665	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	581.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	42.9
65.00322	0.7
65.03945	1.3
67.01876	8.0
68.53534	0.6
68.99809	20.5
71.01376	3.8
71.07868	1.6
81.03448	1.0
83.01389	1.3
83.05010	0.7
85.02936	7.1
89.02445	4.5
91.01826	0.7
91.05524	3.2
93.03445	8.1
95.01369	2.3
97.02919	0.8
99.04489	1.2
101.02431	38.5
102.02782	0.8
107.05006	2.2
109.02902	1.1
111.00869	14.4
111.04475	1.8
113.02428	2.1
114.10204	0.6
117.03468	0.9
119.03534	1.4
119.05003	16.2
121.02950	5.3
125.02422	4.8
125.06094	2.1
127.03989	18.5
133.02879	1.2
133.22064	0.6
135.04507	5.1
136.01624	1.0
137.02377	2.0
137.06055	5.5
139.00356	6.4
140.40326	0.6
143.03502	1.9
149.06035	0.9
151.03995	1.1
151.07634	20.4
152.07941	1.0
153.01895	3.4
153.05557	2.6
161.02406	4.2
163.04004	5.8
169.74922	0.6
171.02930	5.1
177.05548	1.6
179.03464	14.6
179.05559	1.8
183.57309	0.6
189.01894	3.1
195.06587	20.1
196.06905	0.8
207.02945	0.8
221.04475	2.4
239.05582	2.9
257.08234	5.6
268.84622	0.6
275.09171	3.9
291.08701	100.0
292.09100	5.5
315.08597	1.2
315.12326	25.1
316.12549	1.8
317.10242	30.3
318.10580	2.6
327.08771	3.0
359.11331	19.2
360.11664	1.4
419.13385	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	581.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16063	0.8
53.35970	0.7
56.08385	0.7
59.01437	5.8
61.98886	6.1
68.92223	0.7
71.01380	5.9
73.03001	1.5
85.03018	3.0
87.00922	1.3
89.02518	3.4
93.03513	1.7
95.01466	1.1
96.96064	1.2
97.02995	0.9
98.19906	1.4
99.00966	1.5
99.95990	0.7
101.02431	3.8
107.05078	0.8
108.41862	0.7
109.03014	0.7
111.00935	0.9
113.02529	2.1
115.46217	0.7
117.03507	1.0
119.05087	1.2
121.03008	1.7
122.03840	0.9
123.04553	0.8
132.02153	10.7
133.02927	4.2
134.03726	23.4
135.04530	9.3
136.01747	0.8
137.02396	6.5
143.17117	0.7
147.04515	1.8
149.02516	2.0
149.04553	0.7
149.04924	0.8
149.06064	5.3
150.03169	5.4
151.04086	2.6
153.01900	0.8
153.05641	1.2
160.01636	51.8
161.02422	5.7
163.03935	1.4
164.04839	1.4
165.01906	54.1
165.05560	7.8
166.02611	1.2
167.03574	1.0
168.04247	0.8
173.04579	1.7
175.03973	65.0
176.04584	3.4
177.01898	1.0
177.05568	0.7
178.02776	2.8
179.03453	6.1
179.07173	0.9
180.04262	36.6
181.05026	3.5
183.06705	1.0
183.13918	1.5
190.02762	1.4
191.03520	0.8
191.05666	1.1
191.07143	1.7
192.04309	2.4
193.05032	23.3
194.05550	1.3
195.06596	80.9
196.07016	2.1
205.05052	2.4
207.06706	1.1
217.05022	1.3
223.06107	1.7
227.12881	1.5
235.06111	2.0
243.08731	1.5
250.04077	0.7
265.07193	1.2
277.79950	0.8
325.77048	0.7
327.12405	1.4
329.13876	2.0
337.09241	100.0
338.09573	5.5
359.15048	1.6
367.10223	1.4
389.12222	4.2
394.81650	0.7
410.06815	0.9
419.13229	1.0
521.20020	3.7
543.16913	3.0
545.18616	3.8
554.12732	0.9
581.18372	31.5
582.18707	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.3
61.98835	1.5
67.01887	1.9
69.03433	2.3
71.01376	10.5
71.62067	1.1
71.62450	1.3
73.02914	1.5
75.00856	2.6
81.53992	1.0
83.05016	2.0
85.02921	5.6
87.00871	4.8
88.38026	1.2
89.02400	7.6
93.03443	15.1
95.01366	2.1
96.96007	3.5
97.65498	1.1
98.95583	2.8
101.02427	5.3
108.02178	1.4
111.00816	2.0
111.04531	5.8
113.02444	4.6
115.00365	5.1
119.03498	3.8
121.02928	7.2
122.03692	2.5
123.04501	3.8
123.05357	1.1
127.03931	2.7
129.01968	1.4
131.51268	1.0
133.02979	1.7
134.03740	17.4
136.01642	50.5
137.02431	2.5
143.03502	1.4
149.02437	9.2
149.06075	14.9
150.03201	27.6
150.04353	2.4
151.03990	71.7
152.04312	2.7
155.03474	7.4
161.04550	1.8
163.03998	1.6
164.04733	2.0
165.01915	1.1
165.05548	31.4
173.04521	50.3
174.04950	1.2
175.02414	3.3
175.03902	1.9
177.04073	2.7
178.02731	2.0
179.05568	3.5
180.04242	2.2
181.05057	7.9
191.05571	12.7
193.05023	7.6
195.05078	2.5
195.06615	13.3
201.48541	1.3
207.06622	1.9
223.06129	3.5
233.06625	4.0
236.04829	1.8
241.04915	1.1
252.04272	4.0
255.06631	2.8
267.06366	2.0
269.04562	1.6
282.08997	1.7
284.06876	5.7
299.09277	11.3
341.10349	6.7
359.11401	6.7
383.10010	2.1
389.12537	1.7
403.12088	2.7
407.13403	100.0
408.13806	6.8
581.18341	24.7
582.18359	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20644	0.2
59.01369	2.9
59.26642	0.3
59.37721	0.3
61.98822	100.0
71.01371	0.4
71.13236	0.5
94.98032	0.4
96.96011	0.8
102.17790	0.3
119.05057	0.3
137.06094	1.0
139.05608	0.3
161.02441	0.4
163.03976	0.3
318.13919	0.3
518.20270	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	581.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.8
61.79046	0.6
69.54906	4.4
71.01363	1.3
74.00658	0.9
78.95893	100.0
82.02980	0.9
85.02946	1.1
89.02406	1.1
96.96946	8.2
98.18445	0.6
99.05578	0.6
101.02431	2.3
104.03517	1.4
107.35186	0.6
113.02446	1.5
129.06721	1.6
187.72743	0.7
239.05507	1.1
253.41385	1.0
257.07690	2.8
267.09979	61.6
268.10321	1.9
289.04987	2.9
291.06546	5.8
451.51797	0.6
461.16440	1.0
581.11945	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	581.223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47329	2.1
59.01387	4.3
61.98825	4.6
69.27258	5.7
69.27667	15.6
71.01380	6.3
82.52309	2.2
93.03430	3.0
98.19920	4.8
101.02437	2.9
104.53210	2.5
119.01345	4.9
121.02943	6.5
122.03727	7.7
123.04516	3.3
134.03687	3.5
147.04422	3.4
149.02460	12.8
150.03197	59.9
151.03893	3.9
153.05554	2.7
156.47575	2.0
159.04498	2.9
160.05263	13.9
161.02400	2.8
161.04562	2.4
161.06023	2.6
163.03990	6.2
164.04720	13.4
165.05548	84.6
166.05827	3.9
167.03453	2.3
169.84604	2.0
175.00311	22.7
175.03845	2.9
175.07587	13.0
177.01970	3.2
177.05455	3.6
178.06352	6.5
180.04143	2.4
181.01303	2.3
190.02689	56.1
193.01433	2.6
193.05038	3.2
193.08575	2.4
198.10992	2.4
199.30069	2.7
205.05026	70.3
206.74992	2.7
208.03734	4.0
223.06090	17.8
270.05356	2.4
329.13882	71.5
330.14304	4.8
359.14740	15.5
367.10266	100.0
368.10513	6.9
389.15939	7.1
405.55957	2.6
521.19910	4.4
581.18646	50.2
582.18835	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	581.2992
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
52.66497	0.4
53.94975	0.3
57.03431	0.4
59.01372	0.9
61.57217	0.4
62.22211	0.4
63.96223	0.9
69.03458	0.6
70.51875	0.4
70.84733	0.7
71.01375	5.7
73.02950	1.8
77.04041	0.4
77.30048	0.3
78.98592	4.1
79.95726	8.2
80.96504	53.9
81.03439	1.2
81.96450	0.3
83.01376	0.4
85.02939	2.1
87.00852	2.7
90.61608	0.4
94.98073	13.0
96.96000	0.7
97.02943	1.8
99.00877	0.5
101.02408	2.5
106.98110	2.6
113.02406	0.5
121.94402	0.4
122.97573	4.7
125.02418	2.7
127.04044	0.7
134.97563	4.1
136.99144	1.4
146.97643	0.5
148.99117	5.3
152.98613	6.7
164.09978	0.3
164.98598	10.8
167.00156	0.4
169.38031	0.4
182.99628	2.1
188.98537	0.6
206.99655	2.6
225.00713	15.6
226.01100	0.4
243.01611	1.9
281.24692	2.8
293.02173	0.4
299.04269	2.7
364.07028	0.3
387.99509	0.3
581.29901	100.0
582.30194	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	581.2998
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
59.01356	1.2
61.98819	1.3
63.96222	0.9
69.03406	0.6
70.94481	1.7
71.01382	6.4
73.02936	1.6
78.98581	5.6
79.95730	8.3
80.96509	54.9
81.03456	0.9
85.02941	2.5
87.00879	2.8
94.98072	11.9
96.96012	1.1
97.02928	1.0
99.00894	0.8
101.02432	1.9
106.98070	3.3
122.97563	1.9
123.04500	1.1
125.02442	2.1
127.03988	0.7
134.97543	4.4
136.99049	0.8
148.99083	4.7
152.98615	5.1
164.98621	10.9
206.99704	1.8
225.00705	16.2
281.24756	2.3
290.38968	0.6
299.04507	3.4
307.67065	0.5
344.31183	0.6
351.30594	0.6
530.94971	0.6
581.29932	100.0
582.30237	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	581.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57570	0.3
58.94221	0.4
59.01348	0.8
63.96240	0.5
69.03439	0.5
70.62846	1.1
70.76797	0.3
71.01373	5.6
73.02943	1.3
78.98577	4.0
79.95721	7.4
80.96507	55.6
81.03476	0.8
83.01387	0.5
85.02932	2.0
87.00861	2.2
94.98074	12.7
96.96003	0.9
97.02946	1.5
99.00870	0.8
101.02431	2.6
106.98067	2.9
111.53542	0.3
113.02470	0.3
122.97566	5.1
125.02448	3.0
127.03996	1.2
134.97565	3.7
136.99124	1.3
148.99121	5.5
152.98616	6.7
161.02423	0.4
164.98604	10.4
167.00145	0.5
180.30553	0.3
182.99680	2.2
206.99600	2.5
225.00711	16.6
226.00984	0.7
243.01768	1.8
281.24820	3.5
299.04434	3.1
573.10187	0.4
581.29913	100.0
582.30298	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	581.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
60.01710	0.2
61.01807	0.2
61.13415	0.1
61.98822	100.0
70.51269	0.4
78.95895	0.6
79.12370	0.1
80.96485	0.3
82.96085	0.9
91.50294	0.1
98.20549	0.2
105.22804	0.1
130.36720	0.1
152.99568	0.4
227.00374	0.2
248.03360	0.2
250.83025	0.2
279.23245	3.6
280.23599	4.3
281.23865	2.6
282.24118	1.9
504.30917	0.9
505.31628	0.5
506.31470	0.7
507.31702	2.6
507.38538	0.2
508.31848	0.2
581.26758	2.4
582.27130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19445	0.2
52.92515	0.2
54.40539	0.2
59.01367	0.8
61.01764	0.3
61.98823	100.0
71.61851	0.4
78.95901	1.5
97.55642	0.2
107.06872	0.2
120.89886	0.3
152.63206	0.2
152.99580	0.7
168.04437	0.2
172.70703	0.2
226.07417	0.3
277.21735	0.3
279.23267	2.3
280.23621	1.9
281.23959	1.2
282.24213	0.9
310.33798	0.2
504.30710	1.2
505.31342	0.6
506.31577	0.6
507.31775	2.5
541.94568	0.3
581.26508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07065	0.2
57.98209	0.2
59.01369	1.4
61.98823	100.0
62.98510	0.2
69.31633	1.9
71.01382	0.8
85.02959	0.3
85.13767	0.2
89.02443	0.6
91.38414	0.2
93.26405	0.2
93.89803	0.2
100.07301	0.2
101.02415	0.4
119.03495	0.3
122.88445	0.2
135.04521	0.9
136.04860	0.4
152.03513	0.7
161.02443	0.4
169.85031	0.2
179.03471	1.0
179.18701	0.2
180.03789	0.3
194.05780	0.3
209.08232	0.3
342.14227	0.2
351.11279	0.2
356.10168	0.2
360.14410	0.3
370.06473	0.3
390.69266	0.2
462.14233	0.4
582.18365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98345	0.2
54.35011	0.2
55.12334	0.1
59.01371	1.2
61.98824	100.0
69.03455	0.5
69.76353	0.9
101.02460	0.2
107.05013	0.3
138.00180	0.2
164.04796	0.2
175.00392	0.2
190.02844	0.4
191.03207	0.3
192.37561	0.2
195.06682	0.6
205.05070	0.5
206.05467	0.5
213.07767	0.2
223.06065	0.3
243.21800	0.2
265.06958	0.5
384.00998	0.2
455.91370	0.2
582.19183	1.6
591.81012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44049	0.9
51.46249	0.9
57.74329	1.1
59.01376	20.8
59.25036	1.2
61.98822	100.0
68.01411	1.7
69.03439	4.1
70.35021	2.0
71.01378	7.8
73.02953	1.5
74.04950	1.0
81.03444	1.1
83.01374	1.2
84.04539	16.0
85.02953	4.2
88.98796	1.4
89.02434	5.2
93.03469	2.9
94.02972	2.8
96.95934	1.3
98.92368	1.0
100.04041	14.4
101.02435	4.8
102.05591	1.2
107.05038	1.3
108.03894	1.1
108.04572	1.2
110.06092	6.5
111.00887	2.4
111.04502	1.4
113.02435	2.6
119.01348	1.1
119.05021	1.9
120.04521	1.4
121.02935	1.7
122.02477	1.4
123.04507	10.4
125.06105	1.3
126.05592	1.5
128.03491	2.0
132.02177	2.1
133.02911	2.3
134.03711	15.5
135.04492	4.9
136.07706	2.2
137.01181	2.2
137.02492	1.1
137.06044	1.6
138.01923	1.4
146.06081	1.2
149.02434	8.3
149.06044	2.5
150.02843	3.8
151.07581	1.3
152.03517	56.2
152.07100	1.7
153.03812	1.6
153.05580	4.1
154.05051	3.3
155.03525	3.0
155.07138	1.4
160.01627	10.5
161.02423	4.5
162.09285	1.4
164.03586	1.2
164.04752	6.0
165.05203	3.9
175.00362	2.1
175.03978	15.0
176.00826	1.1
178.08676	3.8
179.03442	4.0
179.07082	4.0
180.06628	2.9
186.07648	2.9
190.02669	5.4
191.03261	3.5
191.07101	1.7
193.05026	13.2
194.08134	1.2
195.06567	4.2
199.06064	1.9
205.05052	7.7
206.05438	5.2
206.08070	1.9
212.09157	1.1
223.06107	7.9
224.06406	4.3
230.06624	3.6
235.06146	3.1
238.07178	2.4
241.07379	1.7
243.16742	1.1
265.07190	2.7
282.06229	10.7
282.09241	2.0
295.08209	2.1
331.13959	1.5
332.14276	2.5
375.12912	2.2
389.14270	1.8
410.11050	6.5
418.14828	3.0
428.12012	6.2
436.16211	1.5
460.16187	1.2
462.13977	49.0
463.14539	5.7
478.17032	1.3
480.15057	2.2
494.21307	2.8
520.17780	1.5
521.20465	10.1
522.15918	1.4
533.15875	1.7
538.19946	11.7
539.20282	1.8
553.18799	2.6
564.16589	2.6
565.19183	4.7
582.18292	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	582.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	18.1
67.98696	0.3
70.37580	1.3
71.01371	0.5
77.54448	0.3
78.95891	18.3
78.98593	0.7
79.95724	1.0
80.96503	8.3
81.93789	0.3
87.00875	0.5
92.87025	0.3
94.98057	2.0
96.95985	0.3
107.65936	0.3
120.75526	0.3
122.97604	0.6
122.98504	0.6
134.97588	0.5
147.75209	0.3
148.99095	0.8
152.98604	0.5
152.99561	2.8
159.97472	0.3
161.70442	0.3
164.98598	1.2
165.42276	0.3
168.04248	3.4
182.99580	0.4
203.20068	0.3
224.06891	8.2
225.00609	2.0
226.00772	0.3
242.07910	1.6
283.26373	100.0
284.23843	0.6
284.26740	6.5
313.23373	0.5
401.82883	0.4
405.37195	0.3
469.41907	0.3
508.33966	76.9
509.34344	7.2
568.57166	0.4
582.30219	15.6
583.20007	0.4
583.29950	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	583.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15057	1.0
56.00108	0.9
57.03445	1.1
59.01375	42.6
66.25607	0.9
67.01891	2.8
69.03451	22.6
71.01373	13.8
71.60925	1.0
72.99302	1.8
77.03967	2.8
81.03474	1.4
83.01394	1.1
85.02946	6.5
87.00853	1.1
88.98813	1.9
89.02441	13.8
91.05530	8.2
93.03448	8.3
93.07091	1.4
95.01371	3.0
95.05025	9.7
101.02439	7.2
107.05008	13.8
109.02955	1.2
109.06577	3.2
111.04525	1.7
113.02436	9.6
119.03542	5.1
119.05014	100.0
120.05367	3.7
121.02970	6.0
123.04503	2.4
133.06589	2.0
135.04518	16.3
135.11777	2.6
137.02431	3.3
137.06067	70.7
138.06412	1.5
139.00409	2.1
143.03485	1.1
145.02904	1.6
148.01648	3.4
151.07613	2.1
153.05574	4.3
159.11838	1.1
161.02423	2.8
161.04585	1.3
161.06044	3.1
161.09694	8.0
163.03984	61.8
164.04320	2.1
165.01907	4.7
178.12407	0.9
179.03471	2.6
179.05559	3.0
179.07071	1.5
179.10757	20.5
181.05032	12.2
191.05598	1.4
195.06532	1.2
203.10710	2.9
204.99603	1.0
205.08701	0.9
207.02934	2.1
223.06305	1.6
223.09715	36.0
224.10103	1.7
247.75195	0.9
249.07707	2.3
265.10562	1.3
267.05130	2.7
280.37946	1.2
281.96646	1.0
293.06677	1.7
299.09235	15.0
307.50681	1.0
317.10220	36.1
318.10593	2.6
325.12723	1.9
335.11343	2.0
343.08044	20.4
344.08670	1.1
361.09290	3.8
385.14999	26.3
386.15192	1.9
403.11392	1.0
421.11563	2.0
447.11548	4.6
583.16754	26.0
583.25897	1.5
584.17291	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	583.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63700	0.2
59.01372	0.9
61.98819	1.2
62.67253	0.2
67.85664	0.2
71.01371	0.7
72.88444	0.2
89.02434	0.4
98.19893	0.5
101.02404	0.3
106.17979	0.3
120.31658	0.3
121.02933	0.3
125.09692	0.4
129.83699	0.2
134.84726	0.3
135.04515	0.6
137.02376	0.4
149.02423	2.0
153.09192	80.8
154.09529	2.3
163.03940	0.5
164.04733	2.2
165.05527	0.3
166.18495	0.2
173.02426	0.3
177.05476	0.4
179.07127	0.8
180.88135	0.2
190.02661	1.3
191.03395	0.4
197.08159	100.0
198.08469	3.4
205.05045	1.6
206.05838	1.4
207.02919	0.7
208.03607	0.5
217.12067	0.3
221.08195	1.5
223.06084	2.7
235.02251	0.2
237.07602	0.9
237.75864	0.3
250.04849	0.7
251.35547	0.2
265.07092	4.3
266.07529	0.3
266.16946	0.3
295.08194	1.1
312.57617	0.3
317.07864	0.3
325.09277	1.5
385.11188	0.8
449.95349	0.3
583.20160	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01692	0.7
61.98812	3.3
68.99792	5.1
69.03448	8.7
70.78225	1.0
71.01373	24.8
72.99288	1.2
73.02963	1.0
85.02935	3.6
87.00860	1.1
89.02431	31.3
93.03432	1.1
95.01373	1.9
95.05037	1.3
101.02426	20.5
106.04232	1.3
113.02435	14.6
119.03499	12.4
119.04973	5.7
121.02937	16.4
127.03949	1.5
131.03525	1.7
137.02502	0.9
137.06064	55.0
143.03456	2.4
145.02931	0.9
147.04509	0.9
149.02426	1.9
149.04503	1.1
153.01973	1.6
161.04514	6.9
161.35359	0.8
163.03981	2.7
179.05582	10.6
179.07137	2.7
181.05042	2.0
205.05038	1.2
223.06091	26.2
265.07013	1.6
295.08005	0.8
345.08414	0.8
400.96475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08254	0.8
59.01372	72.6
59.81104	0.7
59.83431	0.8
60.01732	0.9
61.98814	1.2
67.01890	0.9
68.99809	9.8
69.03449	13.5
69.75285	3.9
71.01373	8.4
73.02936	1.5
81.03446	1.2
85.02953	2.4
87.00842	0.8
89.02441	7.6
93.03470	2.1
95.05027	1.1
98.20676	0.9
99.00336	0.8
99.00858	4.7
101.02425	19.6
106.04243	3.5
107.05029	1.8
110.00826	0.9
113.02433	5.4
119.03522	4.3
119.05003	7.6
120.37413	0.7
121.02936	12.0
123.04491	2.4
124.17013	1.0
127.03995	3.0
129.01955	0.8
135.04526	1.8
137.06064	100.0
138.06400	2.4
143.03514	1.1
147.04498	2.6
149.02452	3.6
149.06018	0.9
151.04030	1.1
153.05534	3.5
161.02446	0.8
161.04501	3.2
161.05960	1.3
161.98187	0.7
163.03993	1.5
165.05609	1.2
176.01215	0.7
177.05518	4.5
179.05580	3.2
179.07167	2.1
181.05020	3.0
189.05588	1.2
190.02654	1.0
191.03439	2.0
205.04994	7.4
219.06567	1.0
221.08064	1.0
223.06081	65.6
224.06451	2.2
233.04543	0.9
241.07237	1.6
263.05579	0.7
265.07080	4.7
283.08105	2.1
315.07272	4.7
343.10580	0.7
350.43726	1.1
353.08734	1.7
369.43161	0.8
385.11478	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	583.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38268	0.2
59.01370	3.8
59.27863	0.2
61.98817	3.6
71.01367	0.9
71.62045	0.3
72.03867	0.2
75.00869	0.2
78.95883	1.5
79.95734	2.6
85.02945	0.2
89.02456	0.4
96.95998	100.0
101.02453	0.3
113.02443	0.5
114.93395	0.8
118.96629	0.3
129.06754	0.2
135.04495	0.3
161.02458	0.4
163.04019	0.2
226.54636	0.3
257.07803	0.5
261.05307	0.3
291.06537	0.8
389.20190	0.2
497.20770	0.4
583.28589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95234	0.2
55.17122	0.2
59.01377	2.7
61.67480	0.2
61.98817	1.7
65.00317	1.1
65.04686	0.2
67.01861	0.3
69.03438	0.3
71.01368	3.3
71.62701	0.4
72.99315	0.3
73.02929	1.3
75.00864	1.1
83.01349	0.4
85.02943	1.3
89.02437	1.4
91.01875	2.6
93.03447	0.4
95.01373	0.7
96.95992	2.5
97.02962	0.4
99.00861	0.9
101.02438	2.0
108.02151	0.7
109.02937	55.2
110.03281	0.9
111.00843	0.4
111.04507	0.3
113.02414	1.1
113.04053	0.2
119.03542	0.3
121.02966	0.5
123.00884	0.5
125.02447	0.4
128.90173	0.3
133.02946	1.3
134.03729	4.3
135.04509	8.1
137.02467	0.4
149.06061	0.5
152.01115	0.4
153.01913	100.0
154.02240	2.3
160.01604	0.7
161.02426	3.6
161.04504	0.5
163.03955	0.3
165.05554	1.7
167.03375	0.3
173.04501	0.6
175.04010	0.8
179.02002	0.5
179.03479	4.4
180.03696	0.2
190.64188	0.2
193.05038	5.5
195.06537	0.3
197.08113	0.4
198.67212	0.2
225.04008	1.1
225.07591	1.1
257.86725	0.3
285.06287	0.5
289.94818	0.3
327.06934	0.3
427.08673	0.4
445.09903	0.5
547.27399	0.3
557.27277	0.3
583.23834	66.8
584.24225	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	583.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15921	0.5
56.61981	0.5
58.02965	2.2
58.99580	0.5
59.01366	4.2
61.98823	2.3
69.87852	2.6
70.02954	0.7
72.00893	3.2
72.04539	0.7
74.02462	5.1
78.95889	1.3
80.05031	0.6
82.02972	10.5
83.01371	1.7
83.02489	0.8
83.05002	0.6
84.00888	1.2
84.04501	0.7
85.02958	0.8
86.02480	2.9
87.05627	1.9
96.04546	6.2
96.96001	22.6
97.04070	2.6
98.02462	4.3
98.06084	0.8
99.05630	8.9
100.04032	3.1
101.02464	1.8
101.07169	1.1
104.03525	25.2
108.04550	6.6
109.04109	0.9
110.02472	1.3
110.06107	2.6
111.05614	3.8
112.04040	7.0
112.07676	2.9
113.03578	2.2
117.06686	1.0
122.06110	1.6
124.04039	4.2
125.03552	1.0
125.04823	0.6
126.05592	9.7
127.05135	3.0
129.06691	21.7
129.07664	1.0
135.04526	0.8
137.04802	0.7
137.07169	1.4
138.05550	1.3
139.05106	0.8
140.03450	0.8
140.07187	5.3
143.04604	1.8
151.08745	0.8
152.03508	3.1
152.07155	2.2
154.05125	2.6
155.08266	5.9
157.06172	0.9
164.36520	0.5
165.06651	5.8
167.08226	1.6
169.06252	0.7
170.04572	3.2
173.05710	1.0
177.03253	0.6
183.07722	9.6
185.09300	2.2
195.07724	11.4
204.03285	6.5
207.04361	1.5
209.05614	1.1
211.07246	1.1
213.08766	8.5
215.06633	1.4
227.06693	10.0
239.06676	2.7
257.07745	41.2
258.08002	1.6
261.05487	3.7
291.06516	100.0
291.19608	1.6
292.06833	4.2
323.13882	0.7
501.31436	0.7
583.26801	17.7
583.35400	1.2
584.27057	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	583.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	2.9
59.01369	14.5
61.98822	20.4
62.21299	2.7
64.27531	2.7
64.50023	2.7
71.01369	5.5
71.62607	4.7
73.38824	2.7
74.02463	5.9
74.74706	2.6
82.02951	6.8
83.01357	3.2
88.83041	2.6
89.02454	3.7
96.04523	8.0
96.95986	8.0
98.02449	3.5
99.05614	6.8
100.04055	4.0
104.03526	20.0
104.89474	2.7
108.04543	4.4
110.02514	3.9
110.06078	3.5
111.05589	5.3
112.04002	4.3
124.04021	6.1
126.05557	5.5
127.05107	4.6
128.03514	5.4
128.07161	3.1
128.11057	3.3
129.06668	16.6
130.08705	9.4
133.58891	2.9
137.07195	4.0
138.02257	3.5
140.07170	5.6
149.06200	3.4
153.52847	3.0
155.08202	5.6
167.08252	3.3
183.07689	9.7
195.07718	11.8
197.82852	3.8
204.03329	7.2
213.08742	8.6
227.06674	8.9
239.10300	4.5
257.07779	35.4
291.06531	100.0
336.66907	2.9
396.47922	3.6
501.31134	3.0
551.90387	3.4
565.85974	3.6
583.25165	7.3
583.34515	24.8
605.26465	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	583.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
68.99564	5.4
69.38097	4.7
69.38514	3.0
77.30047	0.9
84.07747	1.0
88.98798	3.6
89.02432	1.4
96.99305	6.4
97.02930	2.1
112.98529	5.1
113.00968	1.3
117.00427	1.0
125.00924	2.2
141.01688	62.7
155.01952	2.5
164.15553	1.0
167.01979	1.8
245.05104	3.6
263.06088	1.3
277.18967	1.1
277.21692	7.7
335.90948	1.0
359.21948	3.9
367.31885	1.1
373.22302	2.5
385.22131	1.8
391.19800	2.6
403.23236	1.6
405.21185	1.9
433.24445	2.4
463.25327	3.8
471.34811	5.0
472.35248	1.4
511.34177	1.6
555.32867	4.8
583.32434	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	584.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28710	0.3
57.44405	0.2
59.01375	0.4
61.98823	100.0
71.61131	0.4
81.58373	0.2
86.14661	0.3
88.98810	0.3
90.26622	0.2
90.80614	0.2
96.96024	0.8
101.02451	0.4
111.00882	0.3
114.86779	0.2
130.48763	0.2
135.04544	0.4
147.04507	0.3
160.32954	0.3
161.02454	0.5
183.07724	0.5
191.05565	0.3
203.87279	0.2
219.06667	0.3
227.06729	0.7
584.24408	0.3
585.25269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47193	0.2
59.01372	2.4
61.98822	100.0
69.03448	0.8
69.31928	2.4
71.01383	1.1
73.02924	1.2
79.66449	0.2
83.01382	0.5
85.02960	0.8
86.34777	0.2
87.00874	0.3
87.87437	0.2
88.98810	0.9
89.02434	0.8
93.03447	0.7
94.00297	0.3
95.05029	1.6
96.05375	0.3
99.04552	0.3
101.02446	1.5
111.00883	0.5
113.02488	0.8
116.92843	0.4
119.05038	0.6
120.08807	0.3
121.02946	3.3
122.03294	0.9
123.04552	1.1
127.04033	0.6
133.02972	0.5
135.04532	0.8
135.08139	0.3
137.02455	0.7
137.06099	0.6
139.00369	0.8
145.02927	0.4
145.93985	0.3
147.04501	0.3
149.02451	0.9
150.03220	2.4
151.03633	0.7
153.09251	0.7
156.04944	0.3
161.02455	1.0
163.03963	0.7
165.05531	3.7
166.05829	1.2
170.39586	0.3
173.04555	0.5
177.09241	0.3
179.03494	0.4
179.07098	0.4
195.06622	2.5
196.07048	0.8
197.08191	2.6
198.08533	1.3
211.07765	0.3
211.09766	0.3
212.10059	0.3
221.08226	1.2
222.08482	0.4
223.06094	0.9
226.02313	0.2
232.06483	0.3
239.09273	0.5
240.07185	0.4
240.09633	0.6
241.07063	0.3
269.04483	0.5
270.04868	0.3
284.03372	0.4
285.04080	0.9
358.13757	0.6
360.12677	0.3
370.13867	0.7
464.13660	0.4
552.18127	1.1
584.23578	0.5
585.15607	0.4
585.25574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	0.7
59.01371	9.3
60.01719	0.4
61.43294	0.3
61.98822	100.0
67.01891	0.7
67.32603	0.3
69.03446	4.1
69.34909	3.0
70.03790	0.9
71.01372	3.0
72.99302	0.5
77.03959	0.4
81.03413	0.6
83.93446	0.3
85.02941	0.6
89.02432	2.7
91.05530	1.0
92.05867	0.5
93.03445	1.6
94.03799	0.6
95.01371	0.7
95.05035	1.9
96.05347	0.6
101.02444	1.2
107.05003	2.6
108.05343	0.6
109.06552	0.7
113.02467	1.0
114.02856	0.3
119.03643	0.7
119.05016	16.7
120.05358	7.5
121.02969	1.4
135.04480	3.0
136.04869	1.1
137.02473	0.6
137.06064	12.7
138.06406	5.2
148.01656	1.1
149.01958	0.4
153.01932	0.5
153.05586	1.0
154.05960	0.5
161.06004	0.4
163.03981	9.4
164.04321	5.0
164.08965	0.3
165.01880	0.5
167.03419	0.5
168.00627	0.9
169.00911	0.3
170.55304	0.4
179.03479	0.4
179.05609	0.6
181.05063	1.4
182.05379	0.8
196.06937	0.4
207.02957	0.5
299.09259	1.3
300.09622	2.6
317.10208	3.8
318.10532	5.4
321.73962	0.5
336.11774	0.5
343.08081	1.7
344.08459	3.5
348.06595	0.4
362.09708	0.8
447.11911	0.3
448.11777	1.3
584.17175	6.6
585.15729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	60.7
61.47545	3.4
61.98826	19.8
69.03445	14.9
69.29276	38.3
71.01366	36.2
73.02943	10.0
82.95407	63.5
85.02917	8.8
87.00856	5.6
88.98788	8.4
89.02430	34.5
93.03434	11.9
95.05036	6.9
99.00867	4.9
99.04484	4.8
101.02429	22.8
109.02911	6.1
111.04515	6.7
113.02435	20.4
117.03427	3.8
119.03510	9.1
119.05005	6.5
121.02921	7.7
121.06573	7.4
123.04503	7.0
128.03523	4.5
132.02113	4.2
133.02939	16.9
133.30547	3.4
134.03729	77.0
135.04492	56.5
136.01591	5.1
137.02391	17.9
137.18509	4.2
141.05608	4.4
145.02847	5.2
149.02444	18.8
149.06073	17.5
150.03174	15.7
151.03969	10.6
160.01665	4.8
161.02431	47.0
161.04492	4.0
163.03989	6.2
164.04742	12.7
165.05502	14.0
175.03937	8.3
177.05505	8.8
178.02745	21.9
179.03490	39.2
179.05566	9.7
179.07008	6.4
181.05058	8.6
191.05479	5.5
193.05022	100.0
195.06551	10.5
207.06451	4.0
209.04529	5.1
221.04556	6.6
223.06094	18.3
243.12312	8.1
244.75838	3.8
281.06418	5.8
303.08505	5.0
308.06815	4.8
323.09106	9.1
324.06213	5.1
339.08707	26.2
341.08640	8.8
353.08664	4.5
354.11032	10.1
369.13458	88.6
370.13800	4.6
419.11804	5.8
423.18512	5.2
567.18475	7.0
585.04865	5.7
585.21240	45.5
586.21326	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	585.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	7.9
60.29990	6.8
61.98822	100.0
69.03437	6.9
69.25278	60.7
70.00418	4.9
95.14408	5.4
97.56369	5.1
113.02424	7.1
133.02971	6.6
135.04504	9.9
136.01691	7.4
149.02408	6.2
150.03189	8.1
151.03940	8.4
157.02518	5.6
161.02422	13.4
165.05521	7.9
166.02711	12.0
173.04500	9.7
181.05009	12.8
195.06537	10.3
264.51053	5.8
357.86694	6.0
387.14398	38.0
537.20709	7.5
585.16931	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	585.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84248	0.2
56.62037	0.3
57.03443	0.9
58.00577	0.4
59.01092	0.4
59.01373	6.3
60.99288	0.4
67.01885	4.8
67.35318	0.3
68.36263	0.3
68.99818	0.7
69.03455	1.1
69.80233	1.3
71.01372	6.1
72.01720	0.4
72.99345	0.5
73.02948	0.4
74.78375	0.2
75.91335	0.3
81.03457	1.3
83.01387	0.5
83.05058	1.2
83.20976	0.2
85.02938	2.1
87.00852	0.5
89.02433	3.1
93.03446	30.2
94.03786	0.6
95.01377	0.3
96.96017	0.3
99.04507	0.5
101.02407	2.3
109.02954	1.3
111.00900	1.2
111.03785	0.5
111.04507	5.8
112.04850	0.2
113.02436	1.8
118.56426	0.3
119.03486	1.0
119.04979	0.3
125.14723	0.2
127.03973	0.7
137.02420	5.6
143.03426	0.3
155.03482	5.5
161.02367	1.1
161.13376	1.4
162.67220	0.2
169.10263	0.3
173.04521	100.0
174.04857	2.4
179.03357	0.3
179.05586	0.7
181.07199	0.3
187.11206	1.4
191.05600	5.7
205.12297	6.6
206.12546	0.3
229.12259	0.8
231.10228	0.8
238.81453	0.3
249.11287	4.6
250.11511	0.4
361.16382	0.4
388.11090	0.5
405.15424	3.9
406.15826	0.4
411.16589	1.8
423.16544	15.8
424.16843	1.2
549.29279	0.5
585.21790	28.2
586.22137	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	585.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
59.01368	5.6
61.98820	4.4
66.70004	0.4
69.03456	0.4
70.46709	0.4
71.01373	4.4
71.61887	0.5
72.99255	0.5
73.02934	1.3
85.02932	1.4
87.00854	0.7
89.02438	3.4
93.03439	4.0
95.01401	0.4
99.00867	0.9
101.02435	2.5
111.04514	0.6
113.02430	1.0
117.03434	0.6
119.01431	0.5
119.03502	0.5
119.05014	4.2
119.31235	0.4
121.02122	0.6
121.02948	8.6
132.02136	1.0
133.02916	1.5
134.03737	0.6
135.04500	1.8
136.01628	0.5
137.02422	8.1
139.00368	0.5
142.20023	0.4
143.07138	0.5
145.02943	1.7
147.00848	0.8
147.04482	2.7
149.02423	48.0
150.03146	2.0
151.00328	0.5
153.09203	1.6
155.10783	0.4
160.01697	0.4
161.02400	3.1
161.04521	0.5
163.03993	7.6
164.04782	48.5
165.05263	1.4
173.04619	2.0
175.00323	5.7
175.03885	0.6
179.03508	0.7
179.07133	6.5
185.11842	0.6
190.02721	11.6
191.03307	0.7
191.05585	0.7
191.07097	0.4
193.04977	0.9
195.06618	0.5
197.08223	1.8
199.13414	0.4
205.05043	11.2
208.03618	0.5
209.04556	0.6
223.06088	100.0
224.06451	4.3
227.13002	0.7
269.04578	0.7
285.03976	2.8
437.21759	0.9
549.23431	1.7
585.20966	8.9
586.22821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.8
61.98823	14.9
69.03466	0.6
69.28958	3.6
69.29359	1.0
71.01374	3.2
73.02928	1.0
76.64664	0.5
79.67387	0.4
85.02963	0.9
89.02419	3.3
93.03443	0.6
99.00841	1.1
101.02413	1.5
110.03023	0.6
113.02440	0.6
113.77224	0.4
115.04053	0.5
119.01389	0.7
119.03501	0.6
119.05030	1.6
121.02940	7.2
131.03441	0.5
131.44740	0.5
132.02110	0.9
133.02937	2.0
134.03719	0.4
135.04488	1.5
145.02928	0.8
146.92993	0.5
147.00925	0.5
147.04469	2.6
147.58421	0.5
149.02419	48.0
150.02750	1.1
153.09183	15.2
154.09534	7.2
155.09819	2.5
161.02411	7.0
163.03996	2.3
164.04767	49.4
165.05132	1.4
175.00352	6.3
179.03542	0.9
179.05653	0.7
179.07118	6.1
180.07401	0.5
190.02701	11.7
191.03043	0.7
191.05524	0.8
193.05080	0.8
197.08165	18.5
198.08508	9.8
199.08701	6.2
205.05028	11.6
206.05334	0.6
223.06081	100.0
224.06430	4.3
265.06955	0.6
339.46231	0.5
348.12573	0.4
549.22925	4.7
585.21423	9.4
586.21796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
61.98816	0.9
69.40544	1.4
69.40974	0.7
69.62784	0.2
71.01362	0.4
78.95903	3.4
79.95734	3.0
96.96001	100.0
96.96889	5.4
98.19887	0.5
101.02402	0.3
112.26083	0.3
116.42713	0.2
116.92799	0.3
126.75324	0.2
133.02997	0.3
135.04515	0.5
142.28835	0.2
161.02454	0.5
167.52074	0.2
179.03499	0.3
227.06685	0.5
261.05481	0.4
323.13922	0.3
421.25824	0.5
585.23438	0.4
585.33044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81447	0.3
59.01364	0.9
61.98824	100.0
64.21792	0.3
64.55537	0.3
69.28759	0.3
71.31274	0.3
71.31614	0.4
78.72217	0.3
78.95898	3.1
81.96593	0.3
94.38033	0.3
148.86575	0.3
152.03609	0.3
152.99562	1.9
178.74551	0.4
241.01245	0.6
269.24954	1.1
283.26456	2.0
284.26794	1.3
285.27200	0.9
286.27505	0.7
288.78568	0.3
310.28378	0.5
508.34161	1.4
510.33871	0.4
511.35019	2.0
585.29822	2.5
586.30096	0.4
589.81122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97496	0.1
56.20434	0.1
61.98821	100.0
67.41254	0.1
81.58443	0.1
82.05402	0.1
90.33787	0.1
120.32091	0.1
136.14822	0.1
150.56340	0.1
163.19048	0.1
197.70428	0.1
574.21063	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	586.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.1
59.01365	0.6
61.98822	100.0
65.93121	0.2
69.78706	0.8
71.01385	0.3
73.02954	0.3
80.84533	0.1
89.02476	0.2
93.03452	0.2
96.95998	0.4
99.00874	0.2
101.02467	0.2
110.83794	0.2
113.02417	0.3
116.92805	1.0
117.01977	0.3
117.92876	0.4
119.05018	0.2
122.03739	0.2
134.03767	0.3
135.04523	0.4
137.02449	0.3
149.02434	0.4
149.04445	0.2
150.03209	1.2
151.03613	0.3
161.02429	0.4
164.04819	0.2
165.05579	1.3
166.05933	0.4
173.04517	0.2
175.13614	0.1
193.05104	0.2
195.06589	0.7
196.06950	0.5
197.34821	0.1
210.82797	0.2
223.06146	0.3
231.01080	0.2
269.04477	0.3
285.03961	0.4
360.15259	0.3
390.25821	0.2
488.26511	0.2
586.22656	0.2
587.23590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41179	1.5
59.01370	35.5
61.98817	6.2
71.01369	3.9
71.62359	2.5
74.33739	1.8
96.96017	9.5
96.96904	1.9
99.00908	4.0
115.71154	1.7
137.06061	30.6
145.03033	2.3
167.06104	2.3
183.05634	4.8
192.11462	5.2
205.12404	2.0
220.06343	4.1
220.14629	28.0
221.15437	63.9
221.98433	1.6
222.15694	1.7
236.00502	1.7
236.10501	51.4
243.09206	6.9
245.10677	3.0
259.08826	2.1
259.12253	5.4
271.08694	7.6
275.08240	31.9
275.11304	2.7
276.08667	3.0
287.11816	8.2
291.72333	2.2
293.17566	46.6
303.11346	100.0
304.11682	5.3
313.09680	2.1
319.14474	4.7
331.10803	2.7
345.12387	3.9
347.10272	2.1
363.13483	11.8
383.40497	1.9
451.16528	6.9
471.06989	2.1
483.19119	2.9
487.34198	4.2
527.18146	22.4
528.18506	2.2
587.28735	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	587.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
61.98822	100.0
69.31827	1.6
69.32237	0.4
78.95909	0.5
82.85898	0.2
89.55156	0.2
96.96010	0.7
96.96967	0.6
98.19710	0.3
99.92556	0.3
115.92056	4.5
137.06058	0.3
205.66283	0.2
271.05829	0.2
272.93930	0.2
344.14929	0.3
379.18820	0.3
487.34445	0.5
488.34940	0.3
587.26587	3.1
588.29034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55653	0.2
59.01370	0.8
61.98820	0.4
62.54265	0.2
63.73057	0.2
65.07432	0.2
69.28876	0.4
69.29282	2.0
71.01377	0.4
78.95896	5.3
79.95725	2.6
96.95998	100.0
96.96899	7.8
165.25420	0.2
199.44460	0.2
227.06580	0.3
271.64432	0.3
286.32556	0.2
497.04871	0.3
587.24164	0.8
587.34015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	53.2
61.98815	10.7
62.66912	1.5
71.01369	2.8
71.60809	1.6
71.61168	2.9
78.21791	1.5
80.97843	1.7
85.02969	1.7
88.98822	1.8
89.02431	1.8
91.86352	1.6
96.95973	4.1
97.06565	1.6
101.02419	2.4
109.06567	1.9
141.05577	6.0
151.11200	2.6
157.85690	1.6
161.02405	2.0
179.05527	2.8
195.10240	22.0
213.01048	1.9
219.78680	1.6
239.09207	100.0
240.09569	4.7
254.51761	1.7
340.85599	2.0
403.12643	3.0
427.25037	2.1
500.81961	1.6
555.64703	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95430	1.3
59.01374	56.0
61.42390	1.2
78.95919	1.4
89.02435	2.6
95.05007	2.1
96.95986	1.5
97.06584	1.7
109.06557	2.1
126.68529	1.3
135.08156	1.9
141.05524	6.6
149.16521	1.4
151.11282	1.7
167.71819	1.3
177.09128	2.6
195.10222	24.2
196.10501	2.2
201.09094	1.4
216.69275	1.3
229.54907	1.7
239.09222	100.0
240.09529	3.1
245.08171	1.8
303.49063	1.3
425.14352	1.9
468.02429	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	587.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20033	0.3
55.01860	1.5
57.03429	1.1
58.00573	1.1
59.01371	27.6
66.37374	0.3
69.03444	0.6
69.80479	0.7
69.80885	1.2
71.01373	25.9
72.99282	1.0
73.02936	6.2
83.01359	2.4
85.02941	7.5
86.00066	0.5
87.00864	2.9
87.16869	0.3
89.02432	13.1
89.02985	0.6
91.91603	0.3
95.01361	0.7
96.96007	0.4
97.02944	1.0
99.00858	1.8
101.01768	0.5
101.02432	9.9
111.00857	0.4
113.02444	4.4
113.55077	0.3
119.03476	1.2
125.02409	1.1
131.03487	8.0
140.23036	0.3
143.03471	0.3
149.04533	1.5
153.16068	0.3
161.04526	0.3
191.05576	4.2
263.20041	0.6
275.20090	3.9
291.19623	0.7
293.21198	4.0
437.25351	1.0
454.81891	0.3
455.26489	5.5
467.30252	1.0
527.31989	0.5
569.29272	0.7
571.40881	0.3
587.30634	100.0
588.30957	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	587.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06351	0.4
55.01878	0.8
57.03442	0.8
58.00605	0.6
59.01374	100.0
60.01722	0.7
61.98825	3.5
69.03451	0.6
70.93992	1.2
71.01374	11.0
73.02944	4.5
75.00893	0.9
83.01398	1.6
84.05878	0.5
85.02944	4.6
86.03374	0.5
87.00885	1.5
87.04523	1.3
89.02452	4.0
95.01361	0.6
96.96017	2.1
97.06618	0.9
99.00887	1.5
101.02438	8.0
113.02435	5.2
119.03502	2.0
130.08754	0.8
133.02986	0.5
135.04527	0.6
138.17580	0.5
141.23225	0.6
143.03523	0.7
159.03079	0.7
161.02533	0.7
161.04552	4.8
176.07156	0.8
179.03607	0.5
179.05612	1.6
209.15781	0.5
216.94812	0.5
253.09209	0.6
271.22900	0.5
277.12189	0.7
291.19611	5.7
294.92703	0.5
296.12842	0.6
323.25763	0.7
372.14505	3.0
432.16711	2.5
449.29019	3.0
467.30054	20.3
468.30457	2.8
485.31192	14.5
486.31845	1.2
527.32263	1.4
552.22339	7.6
583.82660	0.5
587.29724	3.0
601.09570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
61.98821	100.0
71.01384	1.3
76.98232	0.4
83.85941	0.4
85.02914	0.7
87.00828	0.6
89.02438	1.3
90.07804	0.4
92.88969	0.4
98.02095	0.4
101.02435	0.5
113.02454	0.8
119.03455	0.4
146.43301	0.5
164.54494	0.5
397.18518	1.0
506.54004	0.5
589.33862	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	4.3
59.01374	80.2
61.98825	44.4
71.01376	69.1
71.17043	8.9
72.99296	5.4
73.02937	15.1
75.00863	39.4
82.83760	4.3
85.02942	6.9
89.02438	100.0
96.95994	6.3
97.02926	14.8
99.00858	20.3
101.02435	29.3
113.02448	7.2
115.03985	9.5
116.44924	4.2
125.02441	39.1
131.03493	18.8
143.03441	5.5
149.04529	49.4
167.60402	4.1
191.05630	11.3
233.06660	28.3
235.13345	36.2
245.61021	4.0
269.62955	4.1
277.14169	4.5
293.08783	68.0
422.42386	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	589.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.3
55.51671	1.7
55.92860	1.9
59.01371	51.0
61.98815	12.4
63.14265	1.5
68.99810	1.8
69.03404	1.8
71.01373	43.8
71.62677	1.4
72.99261	2.2
73.02933	14.5
79.17377	1.5
79.55122	1.5
83.01373	4.8
85.02953	14.4
86.81146	1.6
87.00858	3.4
88.98788	2.7
89.02435	49.0
93.03448	3.3
95.01327	2.8
96.96017	4.6
97.02917	2.8
99.00865	14.3
101.02422	32.1
111.00857	2.2
113.02425	12.9
113.33020	2.1
119.03468	6.1
119.05006	2.2
125.02430	4.2
128.03519	4.8
131.03479	10.0
133.02997	3.0
134.03719	2.6
135.04482	7.2
143.03479	2.5
145.02890	2.9
149.04527	21.6
151.07553	2.2
159.02875	1.9
160.01695	2.4
161.02396	6.5
161.04536	5.8
163.03972	3.7
173.04596	2.8
175.03886	4.1
177.01851	3.3
179.03458	6.5
179.05702	2.1
191.05547	7.0
193.05087	2.7
197.08206	2.9
213.07687	2.4
213.15012	2.0
293.08704	4.1
309.78903	2.1
345.12552	2.1
379.21106	2.5
397.22165	7.0
511.25656	3.7
529.26483	100.0
530.26471	11.3
589.25836	4.0
589.28247	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	589.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65289	0.2
60.30317	0.2
61.98796	0.2
69.25510	1.2
69.25938	0.8
71.88923	0.2
72.99295	1.6
75.00864	100.0
76.01217	0.7
78.95889	0.5
80.54210	0.2
82.12844	0.2
85.96264	0.2
96.38082	0.2
96.95985	0.4
99.82696	0.2
108.06385	0.2
123.87891	0.2
152.99617	0.3
245.58052	0.2
250.14313	0.2
275.30814	0.3
277.21704	0.7
298.84067	0.2
447.78488	0.2
505.26013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45351	0.4
55.01864	1.1
57.03436	0.9
58.00591	0.8
59.01373	19.2
61.98823	5.0
69.03447	0.9
69.31669	2.1
69.32095	2.1
71.01376	16.3
72.99298	1.9
73.02943	4.3
74.96870	0.4
75.00870	1.1
77.30218	0.5
78.95902	1.2
83.01373	2.6
85.02939	5.9
87.00859	2.6
89.02439	5.4
95.01380	0.5
96.96004	1.5
97.02928	1.0
99.00864	1.1
101.02430	6.6
110.85033	0.4
111.00875	1.2
113.02442	3.6
119.03443	1.1
119.05041	0.5
124.01711	0.7
125.02412	1.7
131.03456	0.9
133.02786	0.5
135.04454	1.1
143.03506	0.5
149.04526	0.6
152.99557	1.5
161.02411	0.8
169.24367	0.5
253.09244	0.8
277.21664	1.1
289.18021	1.3
293.21140	1.6
295.22736	19.3
296.23151	1.1
301.97275	0.4
439.26920	4.0
440.27350	0.6
457.27994	20.9
458.28165	1.7
469.30823	1.4
487.31409	0.9
545.33545	0.9
571.30933	0.5
589.32184	100.0
590.32562	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	590.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20131	2.0
51.78753	2.0
59.01372	100.0
61.98816	36.8
64.83168	2.0
71.01379	12.8
73.02937	3.1
76.33756	2.1
78.95895	15.8
78.98538	3.2
79.05535	6.5
79.95730	7.1
80.96498	50.6
81.03431	3.3
85.02914	5.2
88.98775	2.8
89.02438	5.2
93.46183	2.1
94.98050	9.1
96.96020	12.8
97.02942	7.9
98.95573	5.5
101.02417	6.9
111.04530	2.5
113.02417	5.8
119.04923	2.2
122.97536	2.7
125.02438	3.3
129.07091	9.2
135.04472	5.3
137.06059	29.8
143.08640	8.1
148.99124	5.7
152.98576	5.2
157.10193	4.7
159.11771	60.4
160.12170	2.6
161.02440	9.7
164.98590	9.0
165.12830	17.3
168.04233	2.9
179.03424	6.3
179.07118	4.1
203.08939	4.5
203.10742	76.2
204.11093	2.5
224.06911	4.7
225.00688	17.5
247.09715	84.9
247.20592	9.2
247.23016	2.6
273.18619	6.5
291.19614	43.4
516.19568	4.7
516.27191	71.5
517.27362	3.1
530.28986	3.9
531.28351	3.6
545.98444	2.3
546.25439	4.7
585.50287	2.3
590.27875	3.4
590.36450	3.0
591.24664	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62238	1.5
59.01369	8.4
59.43970	1.4
60.26936	1.4
61.98824	70.2
66.03207	1.5
71.01373	13.2
71.61450	2.4
72.99292	3.3
75.00866	10.4
78.95898	6.3
85.02933	11.2
85.23178	1.8
87.00866	4.5
89.02451	4.5
95.01359	2.0
99.00864	4.6
113.02439	15.6
123.52351	1.6
123.60718	1.6
129.02003	1.5
137.20320	1.6
152.99542	6.1
175.02463	1.6
225.11295	2.0
249.06049	3.1
267.07224	4.9
272.28897	1.5
277.21671	37.8
278.22025	2.3
279.23093	3.5
355.23996	1.9
396.06210	1.6
411.45248	1.7
505.25687	5.0
527.28558	100.0
528.28912	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	590.317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
69.32044	5.9
72.52304	0.6
78.95904	0.8
79.95726	1.0
94.92510	1.4
96.96001	49.8
243.71472	0.6
331.51590	0.6
349.25610	0.6
471.34894	2.7
472.35153	2.8
590.31873	2.1
591.29816	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	591.2073
Annotation	Osmanthuside B6
Peak:m/z	Relative Intensity
55.01870	0.2
57.03434	0.3
58.00584	0.3
59.01368	5.1
68.99927	0.1
71.01371	4.4
72.85983	0.1
72.99312	0.2
73.02951	0.3
83.01369	0.2
85.02943	3.1
87.00873	0.3
89.02431	2.3
89.03944	0.1
93.03447	0.2
95.01389	1.3
98.20624	0.3
99.00898	0.2
101.02424	1.3
103.04006	0.2
109.02941	0.1
113.02435	5.8
117.03448	23.4
118.03758	0.7
119.03498	0.7
119.05006	7.9
120.05327	0.2
135.04497	0.1
137.06062	1.1
143.03470	0.2
145.02928	100.0
146.03268	3.2
161.04500	0.3
163.03987	6.3
164.04367	0.3
179.05568	0.1
205.05067	0.1
223.13229	0.2
267.12216	0.2
299.11349	0.3
311.68533	0.1
427.15903	0.3
445.17038	2.9
446.17508	0.2
591.20728	21.1
592.21021	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12119	0.2
57.03444	0.3
59.01373	4.6
71.01374	3.7
71.61504	0.2
72.99309	0.3
83.01358	0.2
85.02945	3.0
87.00867	0.4
89.02435	2.3
90.79257	0.2
95.01403	0.8
101.02436	2.0
111.00858	0.8
113.02438	4.9
117.03458	24.6
118.03810	0.6
119.03503	0.7
119.05009	7.9
137.06058	0.9
145.02936	100.0
146.03264	2.9
147.71654	0.2
159.24629	0.3
160.25006	0.2
161.04573	0.6
163.03996	5.8
164.04375	0.3
222.16188	0.2
227.47693	0.2
231.99442	0.2
291.06265	0.3
299.11279	0.4
329.60175	0.2
427.15656	0.5
445.17181	2.2
514.65912	0.3
523.38586	0.2
591.20697	29.1
592.21112	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	591.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
58.00602	0.3
59.01371	9.0
60.07032	0.2
61.98821	1.1
71.01375	7.1
72.99327	0.3
73.02944	0.8
75.95939	0.2
83.01389	0.3
85.02943	5.6
87.00859	0.4
89.02433	4.2
93.03445	0.3
95.01374	1.6
96.95980	0.3
97.02951	0.5
99.00883	0.4
101.02431	2.4
101.89962	0.3
113.02438	9.5
117.03453	27.1
118.03796	0.5
119.03521	1.1
119.05012	13.7
120.05346	0.6
121.02923	0.3
125.02365	0.4
131.03516	0.2
133.02881	0.2
133.06604	0.4
134.03857	0.3
135.04503	0.3
137.06071	0.9
143.03435	0.4
145.02934	100.0
146.03268	3.3
147.04504	0.3
157.06564	0.3
161.02406	0.3
161.04597	0.5
161.06070	0.6
161.58372	0.2
163.03987	11.5
175.03929	0.3
205.04974	0.3
235.06039	1.2
265.07135	0.3
299.11343	0.4
307.08069	0.6
427.14066	1.0
445.15329	2.4
468.06424	0.2
531.27606	0.7
591.20721	60.5
592.21063	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	591.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03455	0.4
58.00592	0.3
59.01372	8.0
61.98825	1.4
65.45425	0.1
67.49329	0.2
68.63969	0.2
69.03465	0.2
69.24156	1.8
71.01371	6.0
72.99298	0.3
73.02936	0.8
77.03960	0.3
83.01370	0.5
85.02943	5.4
85.03437	0.4
87.00848	0.2
89.02435	3.5
89.03941	0.2
95.01379	2.3
99.00916	0.4
101.02442	1.7
103.04010	0.2
105.03431	0.9
107.05035	0.2
113.02439	9.8
114.02753	0.3
115.01869	0.2
117.03464	1.5
119.03506	0.4
119.05017	0.3
121.02969	0.3
123.04517	0.4
132.02147	2.0
133.02943	31.5
134.03305	0.7
135.04514	5.0
143.03514	0.3
145.02927	0.7
147.04488	0.2
149.02441	0.7
149.04547	0.7
152.08379	0.2
160.01619	0.4
161.02425	100.0
162.02765	2.7
163.04015	0.4
164.04794	0.9
175.00369	1.2
175.03957	0.4
179.03471	1.5
179.07080	0.3
183.19490	0.2
190.02684	2.9
193.04964	0.2
205.05038	2.7
206.05608	0.2
223.06047	0.8
285.72601	0.2
305.06717	0.2
328.90988	0.2
330.14642	0.2
350.31058	0.2
361.33356	0.2
429.17410	0.6
531.27808	2.4
591.20618	40.7
592.21069	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	591.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
59.01373	3.7
61.98820	3.9
68.00187	0.3
71.01376	3.1
72.20028	0.2
73.02927	1.0
85.02952	1.0
89.02438	3.5
89.03963	1.1
98.19852	0.7
99.00865	1.5
101.02441	1.5
106.04263	0.5
113.02438	1.0
117.03452	4.5
119.03526	0.4
119.05029	0.4
131.03461	0.3
132.02156	3.1
133.02957	0.3
134.03725	72.6
135.04037	1.7
145.03033	0.3
149.04572	0.6
149.06073	6.8
160.01643	10.7
161.02362	1.1
161.04453	0.4
163.04048	0.3
175.03984	9.4
178.02747	0.4
191.05502	0.4
193.05029	100.0
194.05351	3.6
224.18425	0.3
229.59401	0.3
276.12244	0.3
459.69910	0.4
531.28058	3.8
591.20599	7.7
592.21387	0.8
611.37006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2076
Annotation	Osmanthuside B6
Peak:m/z	Relative Intensity
51.42167	0.6
55.01865	1.3
59.01373	14.9
61.98825	5.9
70.16959	0.6
70.62812	1.3
70.63187	1.2
71.01381	13.6
72.99294	1.3
73.02929	4.5
77.29699	0.8
83.01381	1.4
85.02940	8.2
87.00864	1.5
89.02431	5.9
90.52950	0.7
95.01384	2.7
99.00813	1.4
99.04493	0.7
101.02425	8.5
101.32056	0.6
113.02443	11.9
117.03455	29.0
119.03500	2.4
119.05014	14.1
125.02415	0.7
132.02130	1.8
134.03726	50.3
135.03993	0.6
135.04546	0.8
137.06076	1.3
145.02934	100.0
146.03307	2.8
149.06105	4.5
151.05104	0.8
153.09195	1.6
157.18758	0.8
159.02977	1.1
160.01660	8.8
161.02441	1.4
161.04533	2.0
161.05997	0.7
163.03996	8.8
175.03975	8.0
179.03510	1.5
179.05389	0.7
189.91946	0.6
193.05042	62.9
193.73083	0.6
194.05371	2.3
197.08134	1.2
205.05083	0.7
235.06017	1.1
251.07887	0.8
343.13620	0.8
399.23743	1.3
427.14365	0.9
445.15652	2.2
508.96512	0.7
531.28027	24.3
532.27899	1.4
555.20764	26.0
556.20819	2.2
575.91174	0.8
591.20679	61.7
592.20856	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	591.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58564	0.7
57.02473	0.9
57.03453	0.9
58.00597	1.1
59.01373	38.4
61.98824	19.0
71.01377	19.4
71.01763	1.4
72.99300	1.5
73.02937	5.8
74.02499	0.9
80.91689	0.7
83.01393	1.8
83.05028	1.0
85.02943	7.6
87.00869	1.8
89.02430	18.2
91.01912	1.6
93.03478	2.6
94.57944	0.8
95.01402	2.4
96.95993	0.9
98.19753	1.6
99.00872	5.9
100.00417	2.4
101.02435	15.4
107.05029	2.0
112.07673	0.8
113.02440	9.1
117.03479	3.2
119.00667	0.8
119.01347	4.1
119.03547	3.0
119.05015	14.8
121.02950	2.8
123.04532	1.2
125.02479	1.9
131.03546	3.3
132.02118	1.2
133.02936	15.9
133.03867	1.4
134.03763	3.6
135.04506	7.9
137.02594	0.9
139.08789	1.8
143.03589	1.2
145.02924	8.9
147.00906	2.8
149.02446	15.5
149.04504	8.8
149.05745	1.0
149.06136	0.8
151.03958	4.1
152.08453	1.2
153.09229	2.9
160.01692	1.8
161.02428	47.0
161.04587	2.2
162.02939	1.8
163.03986	22.3
163.11287	1.3
164.04767	16.0
164.07164	0.7
165.02045	0.8
165.05536	2.0
165.06786	1.5
166.04924	0.8
173.09329	1.0
175.00336	21.4
175.04012	1.6
176.01068	1.1
177.05489	0.8
179.03601	2.0
179.07193	2.8
183.07753	2.8
190.02690	64.0
191.03316	2.2
191.05569	1.7
192.10379	0.9
193.05067	2.7
195.06635	1.3
205.05023	58.3
205.12346	4.7
206.05679	2.3
207.03035	1.6
209.04588	3.0
220.13310	0.9
221.08269	2.2
223.06082	19.5
229.60704	0.9
234.11456	1.7
237.07880	1.0
251.07825	1.4
261.12527	1.2
265.07169	5.8
267.43063	0.8
278.89304	0.7
281.06616	1.2
285.04095	1.1
295.08395	1.2
325.09293	2.2
367.10452	1.9
395.14746	2.0
399.24011	1.1
429.17963	0.9
439.12381	4.3
455.17130	1.7
467.63815	0.9
531.20032	8.0
531.28375	36.9
532.28577	2.4
591.24182	100.0
592.24371	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	591.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	2.3
59.01373	69.5
69.69086	1.9
69.69479	3.0
71.01376	39.2
72.99288	2.1
73.02943	2.0
79.05528	1.7
81.07101	1.2
82.30240	1.0
83.01369	2.5
84.22242	0.9
84.58051	1.0
85.02940	9.7
87.00852	2.1
88.98769	1.5
89.02433	41.0
91.98488	1.1
94.58331	1.2
95.01378	3.9
95.05032	1.4
95.42291	1.0
99.04508	4.9
101.02431	24.1
107.05029	1.7
110.87482	1.0
111.04517	3.3
113.02423	19.9
119.03484	13.0
131.03444	1.5
143.03467	3.0
149.04509	1.3
157.06593	1.8
159.08167	1.7
161.04538	3.1
161.09697	1.7
161.13336	18.5
171.08157	1.5
171.15564	1.4
173.04529	3.7
179.05612	10.1
185.13367	1.4
187.11252	32.7
188.11514	1.4
205.12303	44.9
205.14291	2.2
206.12639	2.8
229.12271	5.7
231.10231	2.7
247.13307	3.0
249.11275	86.9
250.11615	4.6
291.12305	3.9
350.10004	1.0
351.14294	1.6
385.18610	5.3
399.16586	1.4
403.01282	1.1
411.11459	2.0
411.16537	26.8
412.17249	1.3
429.17575	100.0
430.17853	8.6
437.55811	1.1
471.18539	1.2
486.28580	1.2
591.22845	26.0
592.22784	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	591.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
57.03436	1.8
57.79611	0.9
58.00584	4.7
59.01374	100.0
71.01375	49.9
71.33934	2.1
72.99290	3.1
73.02920	2.0
79.05521	1.3
81.07087	1.5
83.01397	3.3
85.02930	11.6
87.00861	1.9
89.02435	41.8
93.07095	1.5
95.01378	4.2
95.05025	1.2
99.04523	8.0
101.02435	22.9
107.08624	1.0
111.04498	1.7
113.02438	24.6
119.03477	16.1
120.05788	1.7
131.03481	2.0
135.11781	1.3
135.36838	1.0
135.82910	0.9
143.03471	3.6
149.04463	1.2
157.06581	2.9
159.08128	1.9
161.04518	3.2
161.09680	3.5
161.13339	24.9
169.10208	1.3
171.08098	1.5
172.08965	1.3
179.05563	12.6
185.13255	1.7
187.11266	46.4
188.11568	1.3
201.12924	1.2
205.12309	43.9
206.12677	2.8
219.13831	1.2
229.12311	7.6
231.10194	4.7
247.13335	3.1
249.11281	44.8
250.11618	2.1
291.12308	3.1
351.14267	1.2
385.18497	6.5
411.16479	12.9
429.17584	39.3
430.17734	3.0
591.22803	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	591.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
58.00574	1.7
59.01090	2.0
59.01371	31.4
60.99295	4.2
70.51528	1.1
71.01370	19.0
71.62112	1.3
72.99274	1.2
73.02958	2.3
75.00853	1.3
76.53713	1.1
79.05530	1.3
85.02946	5.9
87.00282	1.2
87.00857	2.9
88.98798	36.2
89.02429	19.2
93.15857	1.1
95.01359	2.0
99.04500	7.9
99.05072	1.1
101.02448	9.1
111.00870	3.0
111.04514	5.6
113.02428	12.3
119.03497	5.1
139.07681	1.4
161.04524	4.3
161.13344	9.8
179.03404	3.1
179.05562	4.0
187.11244	12.8
205.12299	31.9
207.11900	1.3
223.13396	1.8
229.12247	3.3
249.11290	100.0
250.11703	6.2
267.12277	3.2
291.12323	5.2
411.16537	41.3
412.17053	2.6
429.17587	38.1
430.18030	2.9
574.04883	1.4
591.22522	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	591.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.5
57.98144	1.0
59.01371	27.5
60.99300	8.4
63.27133	0.9
65.03180	0.9
68.30872	1.1
69.35789	0.8
70.44414	1.1
70.44757	2.9
71.01371	17.5
72.99302	1.7
73.02927	1.8
81.07107	1.3
83.01369	1.3
85.02953	4.8
87.00865	2.1
88.98797	61.3
89.02431	18.5
94.92262	1.2
95.01353	2.7
95.05025	1.0
96.95982	1.6
99.04507	6.4
101.02440	9.6
111.00837	2.9
111.04482	3.8
113.02438	11.3
119.03461	3.2
131.03487	1.4
133.02931	1.2
135.04485	1.6
143.03493	2.7
161.02393	1.9
161.04535	2.5
161.13345	11.2
179.05553	4.2
187.11258	8.7
205.12300	31.6
206.12622	1.9
223.13319	2.0
229.12273	2.6
231.10234	1.3
247.13464	1.7
249.11281	100.0
250.11626	4.4
267.12354	3.2
291.12238	4.8
324.75839	0.9
381.94186	1.0
411.16544	39.1
412.16959	2.8
429.17575	39.3
430.17984	2.4
488.22546	1.0
547.28082	1.1
591.22943	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	591.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36183	1.4
59.01367	39.4
62.34220	1.6
69.45765	12.7
71.01366	23.7
72.99294	1.9
80.57710	1.4
81.07099	1.5
83.01357	1.7
85.02931	4.7
87.00842	2.1
89.02438	22.8
95.04998	2.2
95.50948	1.4
99.04471	5.1
101.02431	12.0
111.04536	1.9
113.02441	11.2
119.03468	9.0
131.03468	1.6
143.03476	1.5
161.04538	4.9
161.13350	19.2
173.04539	1.4
179.05571	7.8
187.11263	15.6
205.12291	23.9
218.64510	1.5
229.12158	3.1
243.15298	1.7
249.11276	75.6
250.11557	4.8
276.98349	1.8
291.12234	4.5
411.16479	28.6
412.17072	2.1
429.17566	100.0
430.17969	8.0
591.22980	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	591.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25773	0.4
57.03409	1.1
58.00566	0.8
59.01372	21.3
61.78900	0.5
61.98824	13.7
69.03427	0.8
71.00996	0.7
71.01375	13.5
72.99270	1.3
73.02932	3.0
74.02455	0.8
80.91666	0.8
83.01328	0.9
85.02943	7.5
87.00818	1.0
89.01911	0.8
89.02431	12.0
91.01880	0.8
93.03461	1.1
95.01383	2.8
96.84853	0.5
96.95998	1.1
98.72543	0.5
99.00870	3.3
100.00375	0.9
101.02435	7.8
107.05003	0.9
113.02425	11.6
117.03467	2.9
119.01344	2.2
119.03491	1.3
119.05002	5.7
121.02927	2.2
125.02378	0.8
128.74638	0.5
131.03487	1.7
132.02145	2.0
133.02942	31.3
134.03636	1.7
135.04503	8.5
137.02373	1.0
139.08699	0.7
145.02951	3.8
147.00858	2.1
147.04517	1.2
149.02429	10.8
149.04498	5.1
149.05765	0.9
150.03136	1.0
151.04002	1.4
152.08330	0.5
153.09184	2.2
160.01607	1.3
161.02422	100.0
161.04588	2.6
161.09694	0.6
162.02760	3.5
163.03987	8.9
163.11307	0.7
164.04770	11.6
165.05421	1.0
165.06715	0.6
175.00339	16.9
175.04031	0.5
176.00861	0.7
179.03539	1.9
179.07094	3.0
183.07774	0.9
190.02696	41.1
191.03111	2.8
191.05687	0.7
193.05075	1.2
195.06667	0.9
205.05028	40.6
205.12288	2.4
206.05505	2.4
207.02882	0.6
208.03868	0.7
209.04581	1.2
221.08212	1.9
223.06061	15.2
234.11464	0.6
237.07707	0.7
265.07175	4.5
295.08282	1.0
321.09644	0.6
325.09192	0.7
367.10492	1.4
399.24152	0.9
429.18085	1.2
439.12665	1.5
455.16592	0.7
531.20203	2.6
531.27875	19.9
532.29156	1.3
591.23981	69.9
592.23651	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	591.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
61.98809	1.2
63.96214	0.9
65.59465	0.4
66.10703	0.4
69.03427	0.4
70.35395	0.4
71.01367	6.4
72.99290	0.6
73.02935	2.3
78.98584	4.6
79.95731	8.3
80.96506	51.2
83.01400	0.4
85.02930	2.7
87.00887	2.9
89.02438	0.9
94.98075	13.5
96.95994	1.8
97.02920	1.3
98.19812	0.8
98.95592	2.3
98.96401	0.4
99.00854	0.6
101.02427	19.7
106.98045	2.2
113.02415	0.8
116.92830	0.6
122.97565	4.2
125.02438	2.9
127.03992	1.4
129.39206	0.4
134.97554	3.0
136.99110	1.1
148.99129	5.7
152.98602	5.7
164.98595	9.5
165.12695	0.6
165.89861	0.4
169.51878	0.4
179.10704	0.5
182.99663	2.0
183.64351	0.4
201.38945	0.4
206.99695	2.6
219.06554	0.4
225.00716	17.1
231.84557	0.5
243.01686	1.8
247.20612	0.9
291.19531	1.7
299.04297	3.0
489.27124	1.0
531.28369	0.6
591.24695	100.0
592.25043	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	591.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77377	1.4
58.00581	2.4
59.01373	83.5
61.98820	30.4
66.68526	1.4
67.01871	2.4
68.99538	3.4
69.29820	2.7
69.30222	11.3
69.88789	1.5
71.01374	64.3
72.99269	3.8
73.02937	17.9
82.25306	1.4
82.54591	1.3
83.01372	2.2
83.05013	1.7
85.02946	6.5
87.00861	3.4
88.98801	7.3
89.02433	100.0
90.02751	2.0
93.03449	11.1
96.96004	9.9
98.20630	3.2
99.00863	35.8
101.02431	44.4
111.04507	3.1
112.98522	5.3
113.02430	10.7
115.00331	2.5
116.92818	2.4
119.03489	5.6
119.05006	2.7
125.02429	4.8
131.03482	16.9
133.02977	1.4
135.04501	5.2
137.02426	2.2
139.05592	1.5
143.03526	2.0
145.03011	1.4
149.04529	87.2
150.04875	2.0
155.03499	2.2
159.02869	1.6
161.02417	8.6
161.04541	4.0
173.04536	30.0
179.03468	5.6
179.05513	1.6
179.10686	1.8
191.05611	14.7
195.10268	2.1
202.02625	1.5
221.06578	6.4
229.21014	1.4
231.43333	1.6
233.06689	1.4
239.09192	3.5
251.07626	11.0
255.19633	2.6
284.44168	1.6
293.08911	2.3
311.09836	4.9
376.03812	1.7
391.21075	1.6
401.14380	2.4
417.24835	17.3
423.63773	1.4
429.17633	1.9
475.29047	15.3
476.29044	2.1
531.27991	36.5
532.28198	3.7
591.30438	17.9
592.30670	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13526	0.7
51.74049	0.7
55.01868	1.9
57.03442	1.6
58.00584	1.5
58.38617	0.8
58.56205	0.6
59.01373	35.2
61.98827	15.8
66.02215	0.7
69.03471	1.5
69.27775	7.3
71.01371	44.1
72.01713	0.8
72.99297	1.5
73.02938	14.8
75.00878	1.5
78.15971	0.7
83.01379	3.8
83.01807	0.6
85.02942	13.8
87.00858	2.3
89.02431	29.6
95.01372	2.5
97.02949	3.0
98.20741	1.2
99.00867	13.1
101.02428	26.4
111.00884	1.2
111.98773	0.7
112.01620	0.8
113.02448	12.5
115.04003	1.8
119.03471	4.1
119.05033	0.8
125.02454	4.3
131.03459	2.9
131.04338	0.6
141.27003	0.7
141.98158	0.7
143.03490	1.7
145.02916	1.7
149.04535	13.0
159.02974	1.7
159.06647	0.9
161.02376	1.0
161.04561	6.6
163.03918	1.8
168.75595	0.6
173.04518	0.8
179.05533	1.5
191.05655	3.9
211.24129	0.7
233.06647	2.3
251.07680	1.4
293.08740	2.0
311.09805	0.7
381.14072	2.8
387.17081	1.0
388.07483	0.7
399.23825	11.2
487.32651	1.5
531.28009	100.0
532.28241	10.6
591.34406	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98450	1.4
51.68346	1.5
55.01861	2.9
56.81425	1.6
58.00593	3.3
59.01374	94.2
59.06018	1.9
61.98817	3.9
62.29572	1.7
69.36694	4.5
69.37117	11.1
71.01376	70.1
72.99302	3.5
73.02941	15.9
77.45269	1.5
83.01382	2.1
85.02940	13.4
87.00866	3.4
89.02435	96.5
95.01406	1.8
99.00856	14.8
101.02431	60.5
113.02431	18.8
117.55128	1.5
119.03502	11.4
125.02408	5.4
131.03499	27.1
143.03502	5.1
147.04491	4.3
149.04539	100.0
161.04559	8.4
179.05594	6.7
191.05583	15.3
192.70250	1.5
221.06595	3.1
251.07729	8.5
293.08701	3.3
311.09799	9.6
399.23697	6.4
454.79041	1.8
487.32736	3.7
505.33560	2.0
531.28040	82.7
532.28137	7.5
546.52905	1.7
591.25739	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02133	1.0
55.01865	2.4
57.03447	1.5
58.00577	1.2
59.01371	51.1
61.98824	24.2
65.03963	1.5
67.01843	1.1
69.25497	8.9
71.01371	37.3
72.99281	2.0
73.02941	14.6
82.95408	1.3
83.01384	4.7
85.02936	14.8
87.00858	1.9
88.04024	8.3
89.02434	20.8
91.01902	1.9
93.03448	2.5
95.01373	3.0
97.02945	1.8
98.19814	2.0
99.00868	7.1
101.02434	28.7
104.06902	1.0
107.05013	1.5
109.02935	11.6
111.00806	1.0
113.02437	12.8
114.01965	2.7
115.04005	1.2
115.08760	1.1
117.03458	2.0
118.75431	1.0
119.03500	3.0
119.05009	3.0
123.04520	1.1
125.02486	2.0
129.01779	1.0
131.03485	2.9
132.02097	1.8
133.02931	9.8
133.34663	0.9
134.03709	12.6
135.00883	7.3
135.04509	51.6
136.04868	1.8
137.02473	1.2
137.06001	1.1
143.03529	2.0
145.02945	3.4
147.04440	1.7
149.04530	8.0
149.06032	2.5
152.06995	1.0
153.00685	1.8
153.01912	25.4
159.02928	2.7
159.07736	3.1
160.01553	2.2
161.02422	29.2
161.04471	8.4
162.02731	1.4
162.05498	1.0
163.03960	1.4
163.37210	0.9
169.06081	1.8
172.07602	1.0
173.04529	4.0
175.03952	2.5
176.07111	1.5
178.02708	1.5
178.05051	1.5
179.03467	41.4
180.03868	1.5
191.05574	4.2
193.05013	16.5
194.05464	1.2
195.06619	1.7
198.64774	1.0
206.04683	1.1
207.06567	1.0
232.13374	1.0
243.11293	1.5
243.66919	1.1
248.09212	0.9
251.07758	1.1
275.14011	1.0
293.08810	1.4
399.23743	22.1
400.24091	2.7
417.24728	2.5
455.16498	4.3
480.36722	1.0
487.32437	2.1
502.17224	1.9
531.28021	100.0
532.28259	9.8
537.95508	1.0
547.22736	3.6
561.20453	1.7
573.20911	1.8
591.13269	31.9
591.22070	33.2
592.13568	4.0
592.22418	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	591.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94566	1.0
53.92268	1.2
57.43216	1.1
59.01377	16.1
61.98835	3.2
68.99829	1.1
69.03453	2.7
71.01372	8.6
71.62369	2.0
75.00858	9.6
79.01894	1.5
81.94822	1.3
83.01378	1.4
85.02941	15.1
93.03470	1.8
95.01382	19.2
96.96014	3.4
96.99294	1.3
99.00884	2.6
101.02457	2.8
107.04994	1.6
108.01086	1.5
108.02166	90.7
109.02947	100.0
110.00105	1.1
110.03299	2.8
110.10838	1.2
113.02422	3.4
121.02961	1.8
121.54581	1.1
123.00874	15.2
123.04526	1.7
137.99501	1.5
139.00374	2.1
151.03990	8.7
153.01924	14.4
154.02742	3.1
161.04507	1.9
168.04257	3.6
169.05016	9.5
178.15504	1.2
179.03403	1.5
194.15388	1.2
277.21671	67.3
278.22055	3.5
417.79532	1.3
486.00204	1.2
531.29053	1.9
555.42255	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	591.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
57.03429	1.8
58.64902	1.7
59.01373	100.0
60.01696	1.4
61.98824	74.4
66.44300	1.5
69.03445	3.7
69.42191	3.3
69.42596	8.3
71.00993	2.1
71.01373	38.0
72.84363	1.4
72.99288	1.8
73.02940	10.5
82.95366	2.0
83.01350	5.7
85.02496	1.8
85.02948	20.7
87.00821	3.3
89.02007	1.5
89.02436	18.1
89.40174	1.3
93.03444	1.6
95.01356	5.3
96.95949	3.9
99.00871	7.0
101.01879	1.8
101.02438	23.7
109.02909	1.5
111.00837	2.2
113.02441	23.1
117.03398	4.6
119.03468	2.1
119.04970	1.5
125.02393	5.9
126.35217	1.2
129.56183	1.4
131.03423	2.4
132.02058	1.8
133.02048	1.5
133.02945	23.3
134.03717	3.8
135.04535	7.8
143.03423	5.2
145.02916	14.4
149.04501	4.2
149.05988	3.1
153.01894	2.2
160.01617	2.4
161.02420	71.9
161.04379	8.1
161.96587	1.3
171.13826	5.0
173.04419	2.2
175.03975	3.7
179.03444	7.1
179.05588	1.7
179.08115	2.5
180.49893	1.4
191.05571	1.5
193.04944	3.3
207.06607	7.7
281.06442	2.0
284.03113	1.7
285.03970	3.1
343.28329	5.4
399.23605	5.3
417.24854	2.3
474.45288	1.9
487.32675	59.8
488.32687	4.4
505.33798	11.9
529.13300	4.0
531.27954	60.4
532.28015	4.9
553.22449	1.9
591.20557	63.6
592.20996	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
57.03429	1.8
58.64902	1.7
59.01373	100.0
60.01696	1.4
61.98824	74.4
66.44300	1.5
69.03445	3.7
69.42191	3.3
69.42596	8.3
71.00993	2.1
71.01373	38.0
72.84363	1.4
72.99288	1.8
73.02940	10.5
82.95366	2.0
83.01350	5.7
85.02496	1.8
85.02948	20.7
87.00821	3.3
89.02007	1.5
89.02436	18.1
89.40174	1.3
93.03444	1.6
95.01356	5.3
96.95949	3.9
99.00871	7.0
101.01879	1.8
101.02438	23.7
109.02909	1.5
111.00837	2.2
113.02441	23.1
117.03398	4.6
119.03468	2.1
119.04970	1.5
125.02393	5.9
126.35217	1.2
129.56183	1.4
131.03423	2.4
132.02058	1.8
133.02048	1.5
133.02945	23.3
134.03717	3.8
135.04535	7.8
143.03423	5.2
145.02916	14.4
149.04501	4.2
149.05988	3.1
153.01894	2.2
160.01617	2.4
161.02420	71.9
161.04379	8.1
161.96587	1.3
171.13826	5.0
173.04419	2.2
175.03975	3.7
179.03444	7.1
179.05588	1.7
179.08115	2.5
180.49893	1.4
191.05571	1.5
193.04944	3.3
207.06607	7.7
281.06442	2.0
284.03113	1.7
285.03970	3.1
343.28329	5.4
399.23605	5.3
417.24854	2.3
474.45288	1.9
487.32675	59.8
488.32687	4.4
505.33798	11.9
529.13300	4.0
531.27954	60.4
532.28015	4.9
553.22449	1.9
591.20557	63.6
592.20996	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	592.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	24.7
61.98824	100.0
71.01366	3.6
71.61544	1.3
73.02916	1.3
78.95892	4.8
80.96508	4.1
85.02928	2.5
89.02430	1.4
96.96024	2.2
101.02437	2.2
113.09711	4.0
116.05054	19.2
119.05026	1.7
133.02946	3.4
135.04514	1.7
137.06052	6.8
142.06607	13.0
143.06064	1.8
144.04619	1.4
144.37782	1.1
146.06091	4.9
148.04053	1.6
149.06058	6.3
154.68382	1.0
160.07674	2.7
161.02438	5.8
168.08165	3.7
171.10268	1.8
176.07150	8.6
178.08734	5.7
218.08176	5.5
245.10741	1.2
247.08649	1.4
247.61926	1.3
251.08270	1.2
265.55508	1.2
273.10251	4.2
275.20010	1.7
293.21194	30.7
293.56784	1.1
303.38138	1.1
305.12924	40.5
306.13229	2.8
307.22675	4.5
308.88113	1.1
347.13834	2.0
349.11954	1.8
365.14951	4.4
518.28735	17.1
529.19733	43.8
530.19800	4.6
532.30133	2.9
591.31561	1.7
592.32135	4.6
593.26184	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	592.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
61.98825	1.0
67.02386	0.1
78.95901	1.6
79.95732	2.4
87.00892	0.1
92.02739	0.1
96.96001	100.0
97.95937	0.2
99.00899	0.1
109.42678	0.1
110.47215	0.1
113.02428	0.2
123.62818	0.1
152.99577	0.4
161.02386	0.1
206.33861	0.1
279.23221	0.6
287.22235	0.1
318.70538	0.1
389.29684	0.1
511.12805	0.1
518.31958	0.2
529.30035	0.9
530.30310	0.2
557.44220	0.2
592.29535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	27.8
61.98814	4.1
71.01371	1.3
71.53235	0.9
72.07779	0.6
72.68306	0.8
74.07201	0.6
75.00877	0.7
78.95898	11.6
80.96487	1.2
89.02473	1.0
95.51009	0.7
96.96018	1.6
111.08192	0.7
119.05039	0.8
137.06133	0.8
152.99586	4.2
161.02448	0.7
163.04042	1.6
164.00592	0.6
164.10741	0.8
168.04247	3.0
177.12799	0.8
178.83391	0.6
179.14386	1.4
195.12215	1.3
195.13881	13.6
196.14497	1.3
205.12448	1.4
211.13387	1.6
220.17368	0.7
223.13326	8.5
224.06830	1.5
225.00697	1.0
242.08022	5.0
256.13141	1.3
275.20139	5.9
293.21182	90.6
294.21494	6.4
307.19318	0.8
307.22729	1.2
382.88800	0.8
395.21927	0.9
414.30780	0.7
447.21463	3.7
468.97839	0.7
512.97400	0.7
518.28766	100.0
519.29175	9.1
583.23340	0.8
592.32025	1.9
593.26642	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	592.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66628	0.5
59.01374	23.5
60.33061	0.6
61.98828	8.4
71.01372	1.7
71.61993	0.7
78.95896	24.2
79.95718	1.3
80.79786	0.5
80.96512	3.3
85.02924	0.7
89.02449	0.7
94.98096	0.8
96.96006	1.7
101.02441	1.1
113.02426	0.8
122.98462	1.1
135.04474	0.5
145.02913	0.6
152.93829	0.5
152.99619	4.7
164.98701	0.6
168.04308	4.4
179.14471	0.6
181.12352	0.9
188.08136	0.5
195.13884	9.9
196.14346	1.0
205.12239	0.7
205.15932	0.6
223.13348	6.6
224.06920	8.6
225.00716	1.2
228.13664	1.1
242.07901	2.1
249.22310	0.6
275.20105	4.5
285.20554	1.4
293.21201	45.9
294.21524	2.6
307.18808	1.8
321.14767	0.5
385.57800	0.6
447.21222	2.7
448.20981	0.7
518.28815	100.0
519.29187	10.1
526.85175	0.6
532.30670	0.8
592.31500	0.8
593.26263	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	593.1297
Annotation	Kaempferol 3-(3''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
59.01374	6.3
61.98824	6.9
63.02383	0.3
65.00319	0.8
70.04697	0.6
71.01375	1.1
72.99297	0.2
73.02924	0.4
82.95391	0.3
83.01375	0.6
85.02933	0.5
88.98807	0.2
89.02412	0.4
93.03436	0.2
95.01354	0.1
96.96013	0.5
98.19981	0.2
99.00884	0.1
101.02447	0.9
105.03464	0.1
107.01378	1.8
111.00871	0.3
112.98518	0.2
113.02432	0.5
116.05054	2.2
117.03461	0.4
119.05006	0.2
121.02954	0.7
123.04513	0.3
132.02203	0.1
133.02934	8.1
134.03333	0.1
135.04509	0.5
140.04996	0.2
142.06622	0.8
145.02960	0.9
147.04503	0.4
149.02443	1.6
149.06194	0.2
151.00351	3.9
160.01727	0.1
161.02408	0.6
161.04572	0.2
161.90469	0.1
162.05589	0.2
163.03871	0.2
164.07103	0.3
165.05528	0.4
169.06590	0.2
171.04532	0.3
173.04585	0.2
175.03984	2.9
176.07071	0.2
179.03418	0.4
185.05975	0.2
189.05490	0.2
192.06528	0.2
193.04991	0.2
194.08192	0.2
195.06613	1.4
198.03201	0.2
199.03979	2.1
200.04359	0.1
201.01897	1.0
211.04057	0.1
212.04745	0.1
213.05534	0.5
215.03462	0.4
217.05070	1.3
223.04062	0.2
223.06104	0.2
239.03410	0.2
241.05078	0.8
243.02933	0.6
256.03854	0.2
257.04547	0.3
257.20856	0.2
261.10251	0.2
267.02954	0.3
269.04428	0.2
284.03223	0.7
285.04013	100.0
286.04367	5.2
321.12396	0.5
337.15714	0.2
353.15012	2.1
356.12616	0.5
371.14996	0.6
381.14514	0.2
413.16888	0.3
419.26587	0.7
447.09351	0.8
488.32922	0.2
489.34647	0.8
507.35297	0.2
517.19781	0.2
532.28326	0.6
533.33301	0.8
593.13147	3.2
593.21765	1.2
593.32410	0.4
594.13342	0.4
594.21936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05782	0.2
59.01373	1.6
61.98822	3.1
63.02395	1.7
64.65469	0.2
65.00330	0.7
65.29232	0.2
69.09511	0.2
69.23394	0.9
69.23813	1.3
71.01369	1.3
72.72712	0.2
75.00877	0.4
82.22331	0.2
83.01375	0.4
85.02947	0.7
88.98775	0.6
89.02434	0.5
89.53297	0.2
93.03445	0.3
96.95991	0.6
98.19925	0.6
99.00880	0.2
101.02435	0.7
105.03438	0.5
105.89578	0.2
107.01378	1.7
109.02914	0.5
113.02434	0.5
117.03452	5.1
121.02974	0.5
132.02138	0.5
133.02934	12.7
134.03702	0.9
135.04506	12.6
136.04800	0.5
137.02420	0.3
145.02933	0.4
149.02397	1.9
149.06073	0.9
151.00342	1.6
159.04500	1.8
161.02419	38.2
162.02757	1.2
163.03976	0.3
164.04858	0.3
166.49823	0.2
169.06577	0.4
173.06218	0.2
175.04037	0.6
177.01952	0.4
177.05550	2.2
178.02734	0.3
179.03479	7.9
181.06548	0.4
183.04495	0.6
196.05240	0.5
197.06062	0.7
201.05487	0.7
203.03465	1.0
205.05025	0.3
220.03770	0.5
221.04498	2.5
223.06061	0.5
224.04729	0.3
225.05537	1.4
227.03426	0.3
233.04523	0.3
251.05501	0.4
263.05557	0.4
268.03699	1.1
269.04498	100.0
270.04840	5.4
271.35440	0.3
280.05862	0.5
285.03870	0.4
304.54550	0.2
323.07660	22.4
324.08035	1.3
355.10287	0.2
361.08490	0.2
371.11365	0.2
387.16394	0.5
400.33368	0.2
431.09872	0.7
532.28247	0.3
533.28528	0.4
593.12909	49.9
594.13312	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	593.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23871	0.7
59.01369	16.1
59.05946	0.7
61.98522	1.3
61.98823	16.8
62.23096	0.8
63.02390	1.6
63.68311	0.8
65.00314	2.1
69.30686	1.2
69.31087	6.0
71.01347	1.9
75.00945	0.7
81.18761	0.7
83.01376	1.1
85.02927	1.4
85.86936	0.8
90.39022	0.7
101.02412	2.3
107.01378	4.4
109.02935	1.8
117.03455	11.3
119.05000	2.9
121.02943	3.4
123.04482	2.8
123.81140	0.8
132.02129	0.9
133.02948	16.3
134.03719	4.0
135.04509	6.7
145.02930	11.8
147.04507	0.8
149.02423	8.0
151.00368	8.0
153.01866	0.9
159.04504	1.5
161.01070	1.6
161.02414	29.9
162.02713	1.1
163.03983	1.8
175.00337	1.9
175.03958	2.6
177.01874	1.0
177.05533	1.9
179.03491	5.9
181.06604	1.6
183.04451	1.5
190.02695	4.9
193.05002	2.5
199.03995	1.4
201.05502	1.6
205.05023	4.6
221.04491	2.8
223.06105	1.0
225.05519	2.9
227.03453	1.9
256.03610	1.6
260.28522	0.8
269.04507	83.5
270.04794	5.1
284.03214	14.2
285.04001	78.1
286.04419	5.0
323.07678	17.7
324.07816	1.5
327.05093	1.2
344.10727	0.8
356.12500	3.5
371.14923	5.9
410.00784	0.7
507.94229	0.8
532.28839	0.9
593.12927	100.0
593.26013	8.8
594.13129	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	593.1503
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
51.79112	0.2
59.01361	0.8
61.66370	0.2
63.02399	1.1
65.00340	0.7
69.47181	1.7
81.54092	0.2
83.01376	0.7
88.98814	0.6
89.02421	0.4
107.01391	2.2
108.02173	0.4
109.02948	0.8
121.02939	0.6
133.02940	3.6
134.03703	1.0
135.04475	0.5
148.01649	0.3
149.02431	1.5
149.99529	0.3
151.00343	4.5
161.02420	0.8
165.55876	0.3
171.04495	0.4
173.04611	0.3
175.03986	2.0
177.01866	0.4
183.04526	0.3
185.06000	0.4
187.04024	0.5
197.06096	0.4
199.03934	2.0
200.04697	0.5
201.01944	0.8
210.95561	0.3
211.03987	1.0
212.04607	0.4
213.05586	0.5
215.03442	0.5
217.04997	0.9
225.50989	0.3
227.03528	1.2
229.04915	0.3
239.03525	0.4
241.05017	0.6
243.02965	0.6
255.03029	0.9
256.03696	3.3
257.04538	0.4
267.02820	0.6
283.02533	0.6
284.03223	59.3
285.03992	83.2
286.01437	0.4
286.04361	5.1
297.04092	0.3
309.04013	0.8
327.04907	0.5
357.06381	0.3
429.08215	0.7
447.09113	2.4
501.99191	0.3
593.15009	100.0
594.15320	11.0
605.98798	0.2
614.09070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1504
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
50.55532	0.7
64.69567	0.7
69.56851	4.4
69.57253	1.4
69.72525	0.7
71.01352	0.9
93.03445	2.2
96.44024	0.8
117.03454	4.6
130.82152	0.7
133.14799	0.7
135.04504	1.9
149.02382	1.3
149.06062	0.9
159.04497	0.9
161.02417	3.0
162.03197	0.9
163.03986	1.7
175.03987	2.1
177.01993	0.7
177.05553	1.8
179.03394	0.9
185.33759	0.8
189.01875	1.2
191.03430	1.5
193.65709	0.7
203.03427	1.3
205.05074	1.0
224.08485	1.0
233.04506	1.1
237.05550	1.0
251.07292	0.8
253.08731	1.1
267.06604	1.2
268.07089	0.7
282.05270	2.5
282.62796	0.8
283.06082	3.0
286.58694	0.7
294.05139	0.8
295.06046	7.2
296.06723	3.5
297.07654	20.5
298.08093	1.1
307.06064	2.4
309.07587	2.8
311.05499	2.4
323.05591	3.2
324.06116	1.5
325.07117	7.8
328.05899	2.4
337.07242	2.5
353.06607	36.6
354.06915	2.3
355.08255	1.1
365.06580	4.6
383.07663	22.9
384.07974	1.5
395.07556	3.1
402.81500	0.9
413.08731	2.9
414.30197	0.8
473.04852	1.1
473.10876	11.3
474.11197	1.6
503.11887	4.2
593.15021	100.0
594.15448	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
56.39742	0.7
57.03448	0.9
59.01373	15.2
59.12333	0.9
60.99274	1.0
61.98821	21.4
71.01374	9.5
73.02945	4.3
78.11118	0.8
81.78381	0.8
85.02947	3.7
88.98797	11.0
89.02427	7.7
93.03442	2.2
95.01376	1.0
96.96006	6.3
97.02944	1.0
98.20671	1.8
99.00845	5.0
101.02418	7.4
101.02874	0.7
108.02176	1.0
109.02963	1.3
110.03246	1.1
113.02415	2.6
114.01971	1.0
117.03471	4.1
119.03490	1.3
119.05008	1.4
123.04496	0.8
125.02436	2.5
130.08745	1.2
131.03474	2.0
132.02116	2.5
133.02979	4.8
134.03726	78.5
135.04582	5.3
136.04880	0.8
137.02432	1.9
145.02939	1.7
147.04533	1.8
148.05252	1.1
148.57794	0.9
149.04556	2.2
149.06050	14.0
151.03966	1.2
153.01970	1.4
160.01636	16.7
161.02434	13.4
161.04510	0.9
162.02792	1.3
163.03923	2.7
173.04494	2.0
175.03967	25.2
176.04662	2.7
178.02718	2.0
179.03433	3.2
191.05540	1.7
191.07117	4.1
192.04265	1.0
193.05031	100.0
194.05389	4.1
206.05766	3.3
207.06570	0.9
211.07506	1.0
217.04968	1.6
221.08176	11.2
235.06073	18.7
236.06302	0.9
265.07132	35.5
266.07571	2.0
270.28632	0.9
284.03293	2.6
285.03958	6.1
286.04428	1.8
293.08838	1.2
325.09244	36.2
326.09772	1.2
337.13800	0.9
367.10336	27.8
368.10687	2.3
371.11023	2.7
397.11359	23.5
398.11896	1.7
427.12405	21.0
428.12714	1.9
530.19714	3.3
555.20782	7.4
557.21497	1.8
575.22333	4.4
582.03491	0.9
593.15460	5.1
593.24536	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	593.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13060	0.8
58.00583	0.8
59.01368	9.4
67.01871	1.2
69.24831	9.4
70.19509	0.8
71.01364	9.2
72.99291	2.0
73.02925	1.7
73.45263	0.8
85.02941	1.1
88.98782	0.9
89.02438	6.9
93.03446	7.6
95.01398	0.9
98.20667	1.5
98.93291	1.1
99.00849	3.3
101.02412	4.9
107.01369	1.3
107.05036	2.3
111.04486	2.4
113.02425	3.3
117.03432	2.4
119.03501	1.4
119.04984	5.4
121.73135	0.8
131.03426	1.0
132.02132	1.4
133.02934	23.2
134.03732	8.8
135.04510	100.0
135.84239	0.9
136.04787	2.4
137.02409	2.5
145.02917	2.9
149.02385	1.3
150.03159	1.4
151.00340	1.9
160.84167	0.8
161.02425	60.5
162.02834	1.3
163.03889	1.5
173.04517	17.5
179.03476	60.3
180.03781	1.9
187.03922	1.6
195.06636	1.1
201.17770	0.8
211.03969	1.3
223.06215	1.6
227.03461	11.0
229.05002	4.3
255.02962	20.3
256.03598	2.6
257.04565	1.8
273.07581	1.0
284.03226	27.2
285.03998	39.4
286.04333	1.8
327.05124	0.9
328.13766	1.0
393.11835	1.5
410.58350	0.8
431.15439	1.5
447.15112	4.4
451.83380	0.9
555.16846	1.9
593.18677	75.7
594.19000	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	593.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06326	0.2
52.36808	0.2
59.01372	4.7
60.13884	0.2
60.41984	0.2
61.98819	0.6
71.01370	4.3
71.61589	0.4
72.99313	0.4
73.02933	1.1
78.59995	0.2
83.01391	0.3
85.02943	0.9
87.00874	0.5
89.02436	4.9
93.03430	1.3
96.96005	0.8
97.02936	0.3
99.00874	2.1
101.02422	2.2
104.97894	0.3
105.03438	0.7
113.02444	1.5
117.03477	1.2
119.03480	0.9
119.05008	1.6
121.02941	0.6
123.04454	0.4
131.03508	0.5
132.02170	1.9
133.02939	32.9
134.03532	0.5
135.04509	11.9
136.01646	0.3
136.04877	0.4
137.02446	0.6
145.02908	1.3
148.06998	0.3
149.02460	1.1
149.04547	0.8
150.03201	1.4
151.03929	0.5
161.02422	100.0
162.02769	2.8
163.03969	0.5
164.04785	0.4
165.05553	1.5
173.04596	1.3
174.15529	0.3
174.51631	0.3
179.03468	2.9
179.05051	0.4
191.05629	0.7
195.06587	1.1
208.03711	0.9
210.66934	0.2
211.40396	0.3
223.06091	2.8
225.23201	0.2
297.07669	0.3
315.10944	0.3
350.47726	0.3
353.06348	0.4
357.13318	0.3
431.15485	4.1
447.14987	1.1
457.13300	0.4
593.18732	32.3
594.19019	3.2
621.66516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54815	0.3
59.01370	8.8
59.40528	0.3
60.82155	0.3
61.98801	0.4
63.22512	0.3
70.92842	0.7
70.93182	0.5
71.01376	5.4
72.99283	0.6
73.02915	1.5
73.20715	0.3
83.01344	0.6
85.02920	1.1
86.57655	0.3
86.86240	0.3
87.00842	0.6
88.98795	0.7
89.02432	6.8
89.03925	0.5
91.05518	0.4
93.03448	1.7
95.01335	0.4
99.00861	2.9
101.02434	3.9
105.03453	0.7
107.01360	0.6
107.05017	2.1
109.02924	0.6
111.00867	0.7
111.04505	0.6
113.02437	2.1
117.03436	1.3
118.57632	0.4
119.03486	1.2
119.05001	2.8
121.02955	0.3
123.04490	0.5
123.30021	0.4
125.02379	0.5
131.03511	0.5
132.02147	1.1
133.02942	19.6
134.03741	6.9
135.04507	100.0
136.04822	3.1
137.02419	1.0
143.04985	0.3
151.00360	0.9
151.03963	0.5
161.02422	59.5
162.02771	2.5
163.00398	0.9
163.04004	0.8
179.03471	56.3
180.03789	2.2
185.06093	0.6
187.03969	0.9
189.05635	0.6
191.05576	0.5
197.06116	0.5
205.12413	0.5
211.04070	0.7
213.05495	0.4
227.03459	10.7
228.03937	0.7
229.04999	3.8
239.03485	0.9
241.04967	0.4
249.11282	0.5
250.11591	0.5
251.12810	0.9
255.02945	19.2
256.03485	2.0
257.04514	2.1
257.07187	0.3
260.89496	0.3
273.07803	0.9
283.16940	0.3
284.03220	21.5
285.03995	29.0
286.04294	1.9
291.06561	0.8
307.08591	0.6
338.50305	0.4
387.18622	0.4
393.12283	0.9
413.17459	0.4
431.16168	1.7
555.17706	1.4
593.18756	63.9
594.19128	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	593.1862
Annotation	CHEBI:68344
Peak:m/z	Relative Intensity
50.70562	0.7
55.01867	0.8
57.03408	0.7
59.01373	11.2
60.99315	1.5
61.98835	2.9
67.63608	0.7
69.04491	0.8
69.33216	0.8
69.41531	6.8
69.41927	1.8
71.01367	7.0
72.99296	15.3
73.02948	2.0
83.01421	1.1
85.02976	2.0
87.00890	1.4
87.04536	0.8
88.98801	7.2
89.02438	9.1
93.03445	5.6
95.01402	0.9
98.19844	1.0
99.00889	3.1
101.02466	3.6
107.05045	3.2
108.02174	6.3
109.02989	1.7
113.02474	3.8
117.03448	5.7
119.03557	1.0
119.05006	8.8
123.04624	1.3
132.02179	1.0
133.02946	22.0
134.03746	12.5
135.04509	100.0
136.04875	2.1
137.02435	5.8
145.02940	13.9
149.02542	1.4
149.04581	1.9
150.03236	1.9
151.00388	0.9
151.04027	1.6
152.01120	11.7
153.05551	1.4
161.02426	71.3
162.02835	2.4
163.04010	6.0
165.05615	1.9
173.04593	1.8
175.04042	2.3
178.02621	0.9
179.03477	56.2
180.03886	1.7
187.07108	0.8
191.05623	0.9
193.05066	4.3
206.79178	0.8
207.13838	0.8
219.06750	1.0
251.12959	1.0
265.07257	1.2
284.03201	5.0
285.03928	10.0
315.11215	0.9
329.13718	1.2
399.09448	1.2
417.10434	5.1
429.13931	1.2
431.15509	1.8
447.14957	10.7
455.11920	6.3
593.18799	71.2
594.18994	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	593.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01707	0.8
67.51283	0.2
69.30247	1.7
71.01369	1.9
73.02932	0.4
73.16139	0.2
83.01375	0.2
85.02949	0.8
93.03448	1.1
95.01356	0.3
98.19854	0.4
99.00879	0.3
101.02431	1.4
102.37074	0.2
103.47232	0.2
113.02429	1.1
120.46085	0.2
121.02941	13.3
122.03693	0.7
133.02895	0.2
134.03723	0.2
135.04527	1.3
136.01692	0.4
151.03986	0.6
159.02991	0.4
159.05708	0.2
160.05232	0.3
161.04523	1.9
162.03151	0.3
163.03949	0.5
164.04764	0.2
168.63799	0.2
177.05566	0.4
179.03397	0.4
180.03769	0.3
356.12579	24.7
357.12872	1.9
371.14923	44.8
372.15259	3.5
384.73303	0.2
479.91071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40756	1.0
58.00573	2.0
58.79713	1.1
59.01375	41.8
59.27528	0.9
64.75692	0.9
71.01379	23.6
71.37561	2.4
72.99306	2.6
73.02923	1.9
74.70279	1.1
82.95389	1.3
85.02946	6.2
86.14125	1.0
87.00839	1.8
89.02438	15.5
95.01394	1.2
99.04512	30.4
101.02431	10.0
111.04526	2.0
113.02440	11.5
116.92837	2.8
119.03482	6.3
119.04989	1.4
121.06584	1.7
126.94365	1.0
135.04570	1.2
136.93059	1.0
161.02448	2.6
161.04543	2.3
179.05585	2.1
189.12802	9.9
207.13876	35.6
208.14250	2.5
219.56047	1.2
231.13861	3.9
233.11775	2.1
251.12846	88.7
252.13144	4.8
275.12851	3.3
291.06439	5.0
293.13867	3.0
341.91544	1.1
353.15741	1.7
413.18103	20.5
414.18311	1.2
431.19153	100.0
432.19296	8.3
496.25870	1.1
593.24487	21.0
594.25104	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	593.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.7
59.01373	34.4
63.12109	1.2
71.01374	20.0
72.99307	1.8
73.02933	1.9
83.01393	1.6
85.02953	6.0
87.00873	1.1
89.02431	15.6
95.01396	2.0
98.19777	1.6
99.04510	25.1
101.02445	9.9
111.04504	2.3
113.02439	11.6
116.92830	2.4
119.03474	4.6
119.05010	1.8
121.06560	1.4
123.16508	1.1
138.18768	1.1
145.02913	1.3
161.02419	2.3
161.04553	2.1
179.05615	1.7
189.12834	11.5
193.84767	1.3
207.13867	34.9
208.14206	2.1
231.13853	4.8
233.11801	1.5
249.14790	2.0
251.12843	82.8
252.13148	2.4
257.07840	1.6
261.30426	1.2
275.12827	2.5
291.06531	4.0
293.13989	3.4
329.10248	1.0
378.96692	1.1
413.18134	24.8
413.39151	1.1
414.18481	1.9
431.19180	100.0
432.19479	9.1
545.62390	1.2
593.24896	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	593.263
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01377	2.0
61.98822	4.6
63.96217	1.0
64.48655	0.3
70.93262	0.8
71.01366	4.7
71.58623	0.3
73.02928	1.3
78.95897	0.5
78.98584	3.3
79.95726	25.8
80.96506	42.5
81.03437	0.5
83.01390	0.4
83.57446	0.4
85.02930	2.0
87.00854	1.5
89.02436	0.7
94.98075	10.1
95.01378	0.4
96.95988	1.5
97.02934	1.1
99.00865	0.5
101.02428	2.5
106.98091	2.7
113.02454	0.4
122.97569	3.4
125.02441	2.6
127.03989	0.7
134.97563	2.9
136.99110	1.3
148.99118	4.5
152.98624	4.7
161.02428	0.4
161.04529	0.4
164.98608	7.3
167.00069	0.4
182.99664	2.2
188.98578	0.4
206.99686	2.3
225.00705	15.0
241.00204	1.0
243.01834	2.0
293.21014	0.8
299.04312	3.4
299.11230	0.4
311.22269	0.5
315.04138	0.6
371.06479	1.1
385.07965	0.8
399.09470	1.3
413.10992	1.0
441.14297	0.5
455.15799	2.5
472.49878	0.4
481.16925	0.5
495.19211	2.0
520.60400	0.4
523.18604	1.0
524.19031	0.5
570.91785	0.4
593.26263	100.0
594.26483	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	593.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11712	0.5
53.26970	0.4
55.87679	0.5
56.46065	0.6
59.01366	1.1
70.35476	1.7
78.95895	60.0
83.05008	0.6
88.96629	0.4
96.96948	13.6
150.97905	0.7
152.99571	57.9
223.00131	1.9
233.22743	0.6
235.24434	0.4
241.01163	27.9
242.01448	0.7
259.02222	0.7
277.21683	47.8
278.22076	3.8
315.04883	8.8
341.38171	0.5
413.20969	5.7
414.21170	0.7
431.21964	1.8
593.27234	100.0
594.27673	12.2
617.41687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43264	0.6
59.01370	1.1
60.95582	0.6
67.51672	0.6
69.44679	5.2
78.95892	62.9
96.96953	12.6
98.19838	1.1
121.02892	0.7
150.98009	0.8
152.99567	85.9
153.99806	0.9
164.57372	0.7
167.26442	0.7
171.00580	3.2
182.38474	0.6
200.52281	0.7
223.00084	8.2
241.01146	24.5
259.02249	1.9
277.21680	48.3
278.21936	3.2
315.04810	15.4
333.05884	1.2
337.41422	0.7
425.56174	0.6
593.27209	100.0
594.27655	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	593.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.4
59.01373	41.9
63.80136	0.6
67.01886	1.3
68.99802	1.6
69.32745	1.0
69.33151	4.7
71.01376	21.2
72.99282	0.9
73.02954	1.0
77.90184	0.5
83.01365	0.8
85.02950	3.0
87.00849	2.1
88.98808	0.7
89.02432	31.2
93.03442	6.7
95.01365	1.4
96.05132	0.7
96.95972	1.0
101.02435	14.1
109.02940	0.8
111.04485	1.0
113.02443	8.6
117.03461	5.5
119.03481	11.2
119.05012	1.9
121.02935	1.0
123.04495	1.8
125.02411	0.9
131.03497	1.6
133.02951	0.9
134.03670	2.2
135.04510	4.5
137.02402	1.1
139.04054	0.5
143.03485	3.0
147.04503	1.4
149.02403	2.1
149.04506	0.7
149.06058	1.9
150.03242	2.9
151.04027	0.8
153.01888	0.6
159.04539	1.0
160.01700	0.6
161.02422	4.9
161.04561	4.0
163.04019	1.4
165.01894	1.0
165.05542	3.4
166.76706	0.6
173.04521	15.7
173.05992	1.2
174.04793	0.7
175.03915	2.3
177.01884	1.1
177.05478	1.3
178.02661	1.4
179.03482	2.4
179.05582	15.5
180.04207	1.6
180.05766	0.7
187.03871	0.7
189.01851	1.1
191.03438	1.7
191.05598	0.6
193.05078	4.9
193.34879	0.6
195.06540	2.5
203.03484	1.1
205.04988	0.7
221.04530	1.1
223.06012	0.9
225.07619	4.8
253.08620	0.8
265.07169	1.3
266.06094	0.7
267.06558	1.2
268.07199	0.8
269.08194	0.7
279.06668	0.7
282.05283	2.0
283.06021	3.9
295.06143	4.6
296.06775	2.2
297.07620	21.6
298.08023	2.1
307.06113	1.6
309.07785	2.1
311.05545	2.7
323.05554	3.9
324.06128	1.8
325.07144	8.0
328.05838	2.7
335.05469	1.9
336.06134	0.6
337.07007	3.1
341.10229	1.5
351.04858	0.8
353.06586	44.2
354.06909	4.1
355.08066	1.1
356.05118	0.8
365.06519	5.9
383.07642	23.2
384.08041	2.4
389.12326	1.7
395.07532	3.8
413.08490	2.5
425.08795	0.8
431.17041	1.4
431.22580	0.8
455.09695	1.5
473.10898	15.9
474.11032	1.9
475.13126	0.7
503.11792	8.4
504.11987	1.0
533.26111	1.2
575.14258	1.1
593.14978	100.0
594.15369	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	594.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.1
61.98820	100.0
64.03649	0.6
68.99818	0.7
71.01378	2.2
79.93775	0.5
82.14623	0.6
85.02959	0.7
89.02457	0.8
93.44812	0.5
96.96025	1.8
97.08211	0.5
97.61153	0.6
101.02438	2.1
104.69068	0.7
111.00920	0.8
111.44278	0.6
113.02411	0.8
117.03446	7.2
119.05014	4.0
133.02928	0.7
135.04460	2.9
137.06058	0.8
145.02934	30.7
146.03343	1.4
161.02463	1.6
163.03998	8.1
174.05602	1.0
176.07179	2.3
179.03522	1.0
187.03990	0.9
206.08258	1.7
208.09761	7.2
266.10239	0.8
291.08759	1.4
372.14456	0.9
430.14960	0.7
487.16034	32.3
488.16315	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	594.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07586	0.2
59.01364	1.1
61.98823	100.0
69.27878	0.9
69.28304	0.7
71.01369	0.5
72.01718	0.2
75.00871	0.2
83.01367	0.2
89.02444	0.3
89.58540	0.2
95.58539	0.2
96.96011	0.6
97.08415	0.2
101.02412	0.4
107.92039	0.2
113.02462	0.3
116.92863	0.4
117.93020	0.1
118.94986	0.1
135.04539	0.2
179.03430	0.2
187.11304	0.3
205.12415	0.2
268.06894	0.2
299.11316	0.6
302.76071	0.2
487.23380	0.3
514.27588	0.3
534.28644	0.3
547.40643	0.2
594.26575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58990	0.1
59.01371	1.0
61.98822	100.0
62.98524	0.2
69.41163	0.2
69.41557	0.9
71.01382	0.5
85.02949	0.2
89.02421	0.2
96.96028	0.3
101.02445	0.3
109.22819	0.1
113.02480	0.2
114.55051	0.1
137.02419	0.2
147.04456	0.2
161.02449	0.3
166.45709	0.1
285.03897	0.4
286.04486	0.2
308.38779	0.1
534.28992	0.3
594.14368	0.3
594.22504	0.2
594.36542	0.2
595.37433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15709	0.1
59.01373	1.2
61.98823	100.0
70.56696	0.5
71.01387	0.5
72.01717	0.2
73.02943	0.2
78.95919	0.5
85.02948	0.2
89.02436	0.6
98.19887	0.2
99.00877	0.3
101.02445	0.4
113.02436	0.2
147.04497	0.3
148.04857	0.3
153.01913	0.2
173.04578	0.4
285.03885	0.3
363.33337	0.2
428.15240	0.2
507.77036	0.2
534.29254	0.4
594.15137	0.3
594.31409	0.5
595.37134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37523	0.2
59.01364	2.2
60.19892	0.2
61.98821	100.0
62.98503	0.2
71.01370	0.9
71.62688	0.3
73.02939	0.2
78.52620	0.2
78.95897	0.5
83.41765	0.2
85.02953	0.6
87.00842	0.2
88.98799	0.2
89.02442	0.5
93.03423	0.4
96.96025	0.4
101.02435	0.5
113.02439	0.5
117.03481	0.2
123.04462	0.2
133.02968	0.8
134.03728	0.3
135.04509	0.9
149.02451	0.5
150.03159	1.1
159.22334	0.2
161.02466	1.2
165.05571	1.1
173.04495	1.1
174.04823	0.4
175.04051	0.2
179.03519	0.5
195.06651	0.4
202.55920	0.2
226.71507	0.2
284.03299	0.6
285.03958	1.6
286.04395	0.7
343.05673	0.2
372.15283	0.3
398.87982	0.2
420.26996	0.2
531.14929	1.1
533.30286	0.2
534.29822	0.6
570.19250	0.6
570.69135	0.3
577.20294	0.4
594.15088	0.5
594.31561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09261	0.7
58.64934	0.7
59.01373	24.1
61.98824	9.0
65.39521	0.7
66.05684	0.8
71.01370	2.2
71.61563	0.8
71.61950	0.9
76.25173	0.7
78.95889	11.4
79.95725	2.9
80.96509	8.8
85.02953	1.3
94.98083	1.9
96.96010	3.7
101.02411	1.3
106.20094	0.7
113.09728	1.9
122.98539	1.0
128.15825	0.7
145.03012	0.8
148.99091	1.0
152.99570	3.2
161.02487	1.0
164.98601	1.6
168.04306	2.2
185.37831	0.7
195.13881	21.7
196.14247	1.0
224.06790	1.3
225.00706	3.1
242.08057	4.8
249.74628	0.7
277.21707	18.8
295.22739	100.0
296.23096	7.2
449.22577	1.7
487.37714	0.8
520.30377	89.0
521.30804	7.9
544.24219	1.0
581.91962	0.8
583.74286	0.8
594.26508	18.4
594.35730	1.3
595.26929	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63090	0.4
59.01373	6.6
61.98838	0.8
69.03439	1.1
71.01367	5.2
73.02958	0.9
75.00850	0.7
78.02457	0.5
83.01374	0.8
85.02941	1.1
89.02437	4.4
91.05541	0.5
95.01379	0.5
96.96007	0.7
98.19823	1.1
99.00870	1.1
101.02435	1.8
105.03444	0.5
107.01389	0.5
107.05023	1.8
109.02969	1.1
113.02427	1.3
115.04013	0.9
117.03452	1.0
121.02943	0.5
123.00875	1.2
123.04499	0.9
124.01665	2.7
125.02481	2.4
131.03500	0.5
132.02193	0.7
133.02940	17.5
134.03737	7.8
135.04512	100.0
136.01660	1.2
136.04869	2.9
137.02441	0.5
139.03992	1.1
147.04544	0.5
148.01663	2.6
149.02420	1.3
149.06067	1.1
150.03218	0.9
151.00377	2.3
151.03967	2.5
153.05586	2.6
161.02428	52.6
162.02908	2.0
163.03984	10.1
164.04788	1.4
165.05565	0.9
175.03902	1.2
177.01901	0.9
177.05582	1.2
178.02641	0.8
179.03474	59.7
179.06955	1.2
180.03798	2.3
181.03625	0.6
181.04939	2.8
190.24471	0.5
193.05042	4.2
207.06572	1.2
211.04254	0.7
211.06035	3.2
229.59882	0.6
233.06566	0.5
254.05705	1.2
269.08142	4.0
270.08820	0.8
276.16144	0.5
283.09738	0.8
284.10464	0.8
285.03949	2.9
285.11313	0.6
286.04282	1.4
287.05301	2.2
298.08350	0.6
313.10739	3.1
328.09503	1.1
343.07678	0.8
343.11810	11.1
353.08749	1.0
373.12845	23.4
374.13129	1.7
431.64554	0.5
433.14902	1.5
454.67319	0.5
455.11948	8.5
456.12277	0.9
559.20325	0.6
565.22906	0.8
595.16559	61.4
596.16846	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	595.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76783	1.0
59.01376	8.6
71.01392	5.4
75.75980	1.1
83.01382	1.1
85.02919	1.9
89.02427	4.4
98.20631	3.3
101.02441	2.5
108.02177	1.2
109.02927	1.7
113.02431	2.2
123.00866	1.6
124.01640	3.2
125.02431	2.5
133.02957	16.1
134.03749	9.9
135.04520	100.0
136.04810	3.0
148.01657	4.1
149.02396	1.8
149.06039	1.4
151.00330	3.4
151.04002	3.8
153.02022	1.3
153.05536	4.7
153.25807	1.1
161.02435	47.0
162.02979	2.5
163.04018	15.7
166.02657	1.3
178.02650	1.4
179.03484	59.4
180.03821	1.8
181.05061	5.8
191.03572	1.1
193.05046	6.4
207.06577	1.2
211.06058	5.8
219.42979	1.1
241.99683	1.0
254.05727	1.4
269.08151	4.3
270.08926	1.6
284.10391	1.3
285.03958	6.6
286.04370	5.5
287.04816	6.5
298.08484	2.2
310.08453	1.1
313.10776	5.0
343.11804	13.4
373.12860	36.7
374.13034	2.3
419.11603	1.5
455.11795	8.3
595.16479	66.0
596.17084	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	595.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82811	0.3
58.00595	0.3
59.01374	4.8
61.98823	0.8
66.61332	0.3
69.03428	0.6
70.87922	0.3
70.88251	0.5
71.01372	5.1
73.02930	0.5
73.78136	0.3
75.92608	0.3
83.01385	0.5
84.44938	0.3
85.02939	1.2
89.02430	2.8
89.03973	0.7
91.05540	0.5
95.01393	0.6
97.02958	0.9
99.00869	0.9
101.02425	1.3
105.03438	0.5
107.05014	3.2
108.02163	0.6
108.50663	0.3
109.02914	0.7
109.55072	0.3
111.00898	0.4
113.02441	1.1
115.03948	0.4
117.03445	1.3
120.72750	0.3
121.02911	0.5
123.00896	1.0
123.04538	0.8
124.01658	2.9
125.02461	2.3
131.03484	0.5
132.02184	0.9
133.01913	0.4
133.02942	16.4
134.03743	7.1
135.04507	100.0
136.04831	3.1
139.03929	0.8
148.01590	0.5
149.02382	0.3
151.03920	0.5
153.05492	0.5
161.02422	48.8
162.02803	1.3
163.04001	1.5
178.02669	0.4
179.03470	67.6
180.03804	2.1
191.05475	0.4
193.05037	0.8
211.06024	0.5
233.06537	0.6
268.74011	0.4
271.02454	0.4
287.09460	0.4
293.08826	0.5
300.02853	0.6
313.10754	1.5
353.08765	1.3
371.11395	0.6
373.12808	4.8
419.11719	0.4
433.14725	0.6
455.11887	8.8
456.12408	0.5
595.16602	55.3
596.16919	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	595.1659
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01369	3.8
65.00310	1.2
67.01865	1.0
68.99813	1.6
69.47463	2.2
69.47878	4.9
71.01364	3.1
79.01904	1.6
81.03448	1.2
81.35697	0.9
83.01383	2.3
85.02916	1.7
89.02415	3.2
90.66195	0.9
93.03436	6.8
95.01369	1.2
95.05015	3.4
96.96003	2.8
97.02931	3.7
99.00862	1.1
101.02425	4.1
107.01370	6.6
107.05022	1.4
109.02926	3.3
111.00867	1.7
111.04536	2.1
113.02463	2.2
117.03440	2.1
118.00166	1.1
119.05010	34.6
121.02933	6.2
123.00847	2.1
123.04497	2.2
125.02451	8.0
127.03991	2.6
133.02888	2.3
134.03714	0.8
135.04483	3.3
137.02449	5.2
137.06053	1.0
139.00363	2.0
139.03941	6.8
143.05037	5.6
145.02927	6.2
147.04488	3.6
149.02425	4.9
150.03198	2.1
150.70636	0.9
151.00328	5.1
151.03984	2.4
153.05486	1.1
155.03452	1.7
159.04416	1.4
161.02408	7.3
161.06070	2.1
163.00348	3.1
163.03984	3.5
164.01239	1.0
165.01920	6.7
165.05568	2.4
167.03470	10.5
173.04585	1.3
175.03928	1.1
175.22018	1.0
177.01920	5.6
179.03476	2.4
179.05460	1.1
185.05948	1.2
187.04001	6.2
189.01883	1.2
189.05469	1.3
190.99873	0.9
191.03636	2.3
191.05550	6.3
193.01421	7.5
197.04543	2.7
205.01421	8.4
205.04930	1.3
207.02896	3.4
209.04515	4.5
213.90685	0.9
219.02972	3.1
221.04489	1.9
223.02512	1.7
223.06026	1.3
227.07097	2.2
233.04594	1.0
235.02466	13.6
239.05518	2.0
241.06895	4.7
247.02229	1.2
249.03917	1.8
261.04077	1.5
265.03433	4.0
267.06641	1.2
269.08301	1.2
271.06027	3.7
283.09665	1.0
311.09225	1.1
313.07129	15.9
314.07541	1.1
325.07166	7.6
326.07816	1.0
327.08386	1.4
343.08041	6.4
355.08167	76.4
356.08420	4.8
367.08145	4.8
369.09753	1.1
383.07547	1.1
385.09225	61.2
386.09564	4.6
397.09363	4.2
399.11353	1.2
403.12677	1.4
415.10242	15.9
416.10486	2.2
427.10391	2.8
439.10172	1.4
445.11365	1.2
457.11343	7.9
475.12402	32.3
476.12570	2.9
487.11948	5.9
505.13269	8.1
577.15100	4.6
595.16589	100.0
596.16840	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	595.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87882	1.1
59.01377	11.6
65.12316	1.2
69.28175	11.6
71.01386	2.7
73.02946	1.2
85.02947	1.1
89.02441	2.2
95.01366	1.4
96.95985	1.5
106.22661	1.2
108.02138	1.4
109.02928	3.0
117.88174	1.1
119.05032	3.8
123.04513	1.9
133.02936	5.2
134.03716	5.7
135.04506	14.8
136.01622	2.7
145.02913	1.6
146.03743	3.3
147.04478	1.6
148.01636	12.7
149.02434	2.7
149.06079	4.1
150.03229	4.1
151.03960	4.8
153.05588	10.3
161.02412	13.8
161.05988	1.3
162.03120	2.7
163.03984	41.4
164.04669	4.6
165.05545	3.8
166.02679	1.5
172.35713	1.1
175.03929	1.4
177.01955	2.0
177.05569	1.5
178.02621	2.8
179.03484	7.3
179.07123	5.2
181.05061	10.9
192.04102	2.7
193.05029	12.0
195.87625	1.2
207.06544	3.3
209.92273	1.1
211.06107	9.5
225.05371	1.5
243.12451	1.2
254.05725	6.2
255.06467	3.2
269.05038	1.8
269.08154	17.7
270.08832	5.7
281.08170	1.3
281.53378	1.3
283.09570	2.9
284.10474	4.1
285.11407	1.4
294.32346	1.1
295.05875	1.5
298.08377	3.7
310.08386	2.5
313.10703	15.2
328.09540	4.4
343.11789	40.9
344.12238	3.3
373.12869	100.0
374.13287	7.4
595.16748	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	595.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
58.08809	0.7
59.01372	100.0
61.98821	7.0
64.77182	0.6
68.99821	0.7
71.01379	3.5
72.99321	0.9
73.02936	1.2
83.01355	1.1
85.02956	2.4
86.17642	0.7
89.02435	2.0
91.76658	0.7
93.03425	1.8
95.01353	0.8
96.84731	0.7
96.96016	2.9
101.02451	2.4
108.02181	0.7
109.02971	1.2
113.02454	1.8
117.03504	1.4
119.05034	1.7
120.99640	0.9
121.02940	21.3
121.06557	1.4
122.03740	6.9
123.04538	2.5
124.01626	0.9
133.02980	0.9
134.03702	1.0
135.04529	5.1
136.01654	0.9
137.02400	1.9
137.06026	1.3
145.02927	6.5
146.03313	4.5
147.03503	1.7
147.04558	1.5
149.02487	2.0
151.03899	1.7
152.03503	0.8
161.02419	5.0
161.04590	2.1
164.04700	1.1
165.05614	1.8
167.03531	1.0
175.04013	1.6
179.03493	1.4
181.05045	1.3
190.06294	0.8
191.03526	0.9
209.04498	1.4
229.76575	1.0
291.09366	0.9
298.08423	38.2
299.08801	2.5
313.10757	45.3
314.11234	2.9
328.09537	1.7
331.74557	0.7
343.11816	64.0
344.12112	3.4
373.12848	47.9
374.13400	3.3
551.30920	1.2
595.22632	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.3
62.94096	0.6
69.58342	3.3
69.58771	2.0
71.01360	4.2
72.99307	0.8
73.02926	1.4
75.00865	0.7
85.02950	1.1
89.02418	3.8
98.01028	0.7
99.00890	0.9
101.02449	1.5
105.03479	0.7
107.04981	1.9
108.02120	1.0
109.02946	2.1
111.58236	0.6
113.02443	0.8
117.03468	1.5
121.02930	1.2
123.00886	0.8
123.04511	1.0
124.01669	2.9
125.02437	2.4
132.02246	1.1
133.02942	14.9
134.03738	9.4
135.04510	100.0
136.01659	1.6
136.04836	3.2
137.02492	1.2
139.03934	1.1
146.03716	0.8
148.01624	5.2
149.02368	0.9
149.06073	2.4
150.03255	1.1
151.00372	1.2
151.03995	1.5
153.05537	4.8
161.02423	46.7
162.02930	1.6
163.03981	15.7
164.04732	1.7
165.05452	1.1
166.02576	0.8
175.03915	0.9
177.01926	0.9
177.05493	1.4
178.02635	1.1
179.03471	56.1
179.07108	2.9
180.03847	2.2
181.05052	4.6
192.04280	1.1
193.05017	5.8
207.06573	1.8
211.06078	4.1
233.06699	0.8
254.05803	3.3
255.06573	1.9
269.08163	8.4
270.08948	1.6
283.09912	1.2
284.10434	2.1
298.08325	1.2
310.08380	0.9
313.10736	6.0
328.09497	1.9
343.11850	17.3
344.12177	1.6
353.08521	1.1
373.12857	43.6
374.13174	3.0
382.19604	0.9
433.14484	1.9
455.11935	8.3
565.22675	0.8
595.16595	56.8
596.16766	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	595.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
59.01372	100.0
60.01707	1.1
61.98819	6.2
61.99297	0.7
68.99812	1.5
70.90096	1.3
71.01355	4.3
73.02953	1.4
76.52193	0.6
85.02954	2.5
87.00887	0.7
88.98817	0.8
89.02438	1.9
93.03477	2.5
95.01379	1.5
96.96001	2.3
99.00874	1.1
101.02440	2.2
109.02970	1.4
111.00861	1.4
113.02460	1.8
117.03446	1.2
118.03744	0.6
119.05000	1.7
120.65890	0.7
120.99658	0.7
121.02943	25.3
121.06617	1.9
122.03757	6.2
123.04529	2.6
126.09020	0.6
133.02972	1.7
134.03630	0.8
135.04507	4.5
136.01674	1.1
137.02419	3.2
139.00378	1.0
145.02930	4.1
146.03313	2.9
147.03490	1.3
147.04500	1.4
148.03734	0.6
149.02382	1.7
150.03194	1.0
151.03999	1.2
152.03645	0.6
153.09175	0.8
161.02409	5.7
161.04520	1.6
163.04028	0.6
164.04704	1.0
165.01831	0.9
165.05566	1.6
167.03497	1.7
175.04079	1.9
179.03539	3.0
181.05060	1.5
191.03494	0.9
205.12373	1.1
207.39589	0.8
209.04662	3.3
239.81673	0.8
298.08398	35.1
299.08878	2.6
313.10773	41.0
314.11035	3.1
328.09613	2.0
330.63522	0.7
343.11798	53.0
344.12106	4.5
373.12830	42.3
374.13470	2.8
498.07599	0.8
535.16309	0.7
595.22876	4.2
595.34174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72125	1.6
59.01374	49.3
61.70322	1.7
61.98824	3.4
69.52044	12.8
71.01375	27.9
72.99280	1.7
73.02953	3.9
83.01404	1.7
85.02949	5.9
87.00880	12.3
89.02436	30.0
95.01402	1.9
98.20597	3.5
99.00861	2.3
101.02436	18.0
109.02943	6.3
113.02435	12.7
119.03476	13.8
123.00939	1.7
133.02887	4.1
134.03642	2.9
135.04529	18.1
136.01645	14.0
136.04822	6.8
137.02467	1.8
143.03455	4.1
148.01631	6.0
149.02435	1.8
151.03992	24.6
153.05513	3.6
156.04669	1.9
161.02423	10.9
161.04561	5.0
161.06033	2.6
162.03127	3.9
163.03955	8.6
164.04732	3.4
165.05473	1.8
166.02666	3.7
179.03522	10.0
179.05579	11.1
179.07133	9.0
180.03799	5.1
181.03909	1.6
181.05096	15.8
187.04005	2.9
188.04759	5.6
193.05020	6.4
203.07059	4.6
211.06067	3.7
219.06252	1.7
264.07861	3.9
265.05096	2.8
269.08139	5.7
280.07425	6.5
295.09720	5.1
313.10693	6.2
325.10703	2.6
343.11813	13.6
355.11826	24.8
373.12863	100.0
374.13428	9.4
437.02921	2.2
477.04306	1.8
535.18073	26.3
535.27271	14.4
595.19348	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	595.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03432	2.3
59.01374	95.1
61.98822	5.2
65.03947	4.2
67.68726	1.2
68.30733	1.1
68.99809	27.1
69.03452	4.3
69.25408	4.4
69.25832	7.9
71.01371	27.3
73.02946	6.5
75.00853	1.4
77.47085	1.1
81.03456	1.3
83.01383	2.1
85.02950	10.8
89.02422	14.2
93.03452	23.1
95.01366	12.4
95.05015	10.3
96.95995	5.5
97.02946	2.7
98.95597	2.7
98.96383	1.1
99.00858	2.5
100.05413	1.3
101.02435	17.1
106.04204	6.6
108.02190	4.3
109.02934	2.2
111.00876	8.5
113.02440	13.4
119.03491	3.2
119.05010	8.5
121.02241	1.2
121.02942	40.4
121.06583	65.7
122.02442	1.2
122.06885	1.6
123.00861	5.1
123.04507	40.6
133.02957	1.6
134.03749	1.4
135.04510	4.9
136.05298	2.4
137.02443	3.7
137.06075	2.0
138.06833	6.1
139.00352	27.4
139.04088	1.6
139.07645	2.7
147.04498	15.3
149.02415	9.1
149.06010	1.7
151.03998	1.9
151.07646	7.7
152.08394	8.0
153.09195	39.1
159.02991	2.3
161.02437	4.8
161.04515	12.1
163.04007	4.0
164.04739	2.3
165.01904	5.9
165.05534	20.4
165.09102	1.2
167.03470	34.3
168.03870	1.5
175.07668	1.6
177.05569	3.0
179.03487	2.7
179.05681	1.3
181.04993	2.1
190.09895	1.5
191.03499	17.7
191.05115	2.2
205.12306	23.0
209.04512	81.8
210.04924	2.4
223.13342	13.5
231.02180	1.4
273.31958	1.2
290.15790	1.2
328.13049	3.1
343.15439	19.4
344.15814	1.6
367.17340	1.6
385.18616	18.4
427.19687	2.8
455.19040	5.8
507.18445	2.1
549.22815	1.4
551.21490	4.5
577.22839	30.6
578.23114	3.2
595.23969	100.0
596.24255	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	595.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38752	0.5
57.97920	0.5
59.02641	0.4
62.96387	0.7
78.95892	54.7
96.96944	8.9
98.20607	1.6
109.07577	0.4
115.19892	0.4
116.16967	0.5
123.04481	0.9
131.57863	0.5
139.47984	0.5
150.98061	1.2
152.99568	79.9
153.05638	0.8
153.99948	1.0
171.00597	2.6
223.00085	8.4
229.46521	0.6
240.98679	1.1
241.01155	22.5
259.02072	1.9
279.23239	58.1
280.23578	4.2
315.04865	13.2
316.05115	0.5
333.05814	0.8
585.41364	0.7
595.28790	100.0
596.29083	10.4
609.32935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.8
60.01706	0.7
61.01812	0.3
61.98822	100.0
72.90167	0.2
77.87424	0.2
78.57812	0.2
121.02967	0.4
122.03204	0.2
167.35960	0.2
168.20576	0.2
199.85103	0.2
268.25803	0.2
325.54190	0.3
356.12695	0.3
357.12958	0.4
358.13394	0.3
371.14828	0.3
372.15344	0.9
373.15549	0.6
374.15921	0.6
565.52460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	57.7
60.12115	0.5
61.50261	0.5
61.98823	100.0
63.99253	0.7
67.01884	0.9
68.99807	0.5
69.03452	1.0
71.01377	4.4
71.62656	1.0
73.02942	0.7
84.98910	0.5
85.02953	1.3
88.98813	1.1
89.02436	2.8
93.03438	7.3
95.01380	0.8
101.02428	3.2
102.03487	0.5
106.04259	1.4
106.06667	1.0
107.05015	0.8
109.02985	0.6
111.00888	3.4
111.04533	1.4
113.02431	2.2
117.03470	1.1
118.06599	0.5
119.03537	1.5
119.05008	15.0
121.02943	0.6
123.04567	0.7
125.02428	0.8
126.77087	0.5
127.04037	1.0
130.06668	0.5
131.03745	1.7
132.04581	0.7
133.02930	0.6
133.05296	0.8
134.06142	2.0
135.04504	2.5
137.02473	1.6
137.06064	9.1
139.00397	1.8
144.04575	1.1
145.02953	0.7
146.06131	0.8
147.04509	1.2
149.02383	0.6
149.06090	1.2
151.04034	0.9
151.07726	0.6
153.05602	1.1
155.10779	0.7
158.06096	1.7
160.03987	2.9
161.02487	1.5
161.04814	0.8
161.06020	0.8
162.05592	0.6
163.03975	3.5
163.07675	1.0
164.07208	0.9
165.01840	0.5
165.05557	1.6
166.05096	1.1
174.05571	2.7
175.06340	0.6
176.07156	5.1
178.05061	2.8
179.03514	0.7
179.05699	0.8
179.07030	2.2
180.06598	1.0
189.02020	0.5
189.29770	0.5
190.08681	3.9
192.06738	0.8
193.05107	0.8
195.06641	1.9
202.05014	0.5
206.08286	0.5
208.09718	1.0
208.96860	0.5
216.06659	1.5
220.06015	1.0
222.11389	1.8
225.11269	0.5
230.08257	0.9
234.07660	0.9
238.08826	0.7
239.05554	0.8
248.07013	0.8
248.09314	2.0
253.08711	0.6
254.11865	0.5
264.10373	0.7
265.07190	0.6
265.55661	0.5
266.10449	0.8
268.09726	0.9
273.07745	1.8
275.05719	1.2
280.09647	2.3
281.10492	0.5
285.03784	0.7
288.05658	0.5
290.08127	0.8
296.12949	3.1
297.10257	0.6
298.10901	2.6
307.08185	7.1
308.11487	1.5
312.12445	1.4
314.14102	0.9
315.08594	2.5
322.10699	3.6
328.15634	0.9
330.13562	0.9
333.09711	0.8
340.11877	2.7
354.13251	2.7
357.09708	0.5
358.12897	0.5
372.14450	60.9
373.14966	4.3
382.12888	2.3
400.14276	1.3
414.15363	2.4
432.16556	2.3
437.08975	0.7
442.39774	0.6
477.11841	0.8
478.18793	1.0
552.22479	0.9
595.37494	1.0
596.21509	11.4
596.36981	1.0
597.21655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58395	0.5
55.01881	0.7
57.03443	1.4
58.00596	2.4
58.00840	0.5
59.01374	87.0
60.01722	0.6
61.98809	0.7
65.03957	1.3
65.97050	0.5
67.01883	8.7
67.64941	0.5
68.22382	0.4
68.99808	10.5
69.03448	4.8
69.49831	2.8
71.01376	35.9
72.99307	3.2
73.02943	1.3
78.62699	0.5
81.03455	1.7
83.01404	1.4
83.05031	3.4
85.02938	10.9
87.00888	2.2
87.55556	0.5
89.02435	33.9
91.05540	0.6
93.03447	25.0
94.03783	0.7
95.01385	6.8
95.05039	0.7
97.02949	1.1
98.20583	0.8
99.00873	2.2
99.04519	2.1
101.02431	30.8
107.05009	5.5
109.02934	2.4
110.43995	0.4
111.00869	45.3
111.04506	22.4
112.01191	1.2
112.04845	0.6
113.02435	19.7
117.03485	0.9
119.03495	13.6
119.04977	6.1
121.02938	4.2
123.04540	1.5
125.02445	2.1
125.06061	1.7
127.03997	18.0
128.48251	0.5
131.03470	1.7
133.02968	0.7
135.04512	15.2
137.02426	19.0
137.06068	3.7
139.00359	27.0
140.00639	0.6
143.03474	4.7
145.02907	1.2
148.01738	0.6
149.02432	3.0
149.04471	1.3
149.06070	1.1
151.04002	1.7
151.07607	2.4
151.85516	0.6
153.01924	1.4
153.05559	15.4
155.03436	1.0
156.68977	0.5
161.02446	2.0
161.04498	2.5
162.03203	0.8
163.03993	15.5
163.05368	0.9
165.01892	6.7
165.05571	0.8
167.07158	0.8
171.02971	2.1
177.05559	3.8
179.03482	9.7
179.05586	8.5
189.01923	1.8
193.05032	0.8
195.06599	26.4
196.06876	1.1
207.02991	4.6
208.42787	0.5
211.05994	0.7
221.04474	1.5
239.05559	9.6
243.12495	0.5
273.07651	25.5
274.07904	0.9
275.05597	19.6
276.05908	0.9
281.06451	2.6
287.09094	1.7
291.08575	2.5
307.08188	100.0
308.08548	6.7
315.08698	38.4
316.09119	2.6
329.10025	0.8
333.09778	15.2
334.09991	1.0
343.08182	4.7
347.11176	0.6
357.09695	3.2
361.09213	3.6
375.10742	11.1
403.10239	3.6
435.12839	13.5
436.13214	1.4
437.10370	0.8
461.12854	1.1
469.13251	1.5
477.13812	0.9
504.06372	0.6
555.16583	0.6
597.18115	14.8
598.18207	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	597.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
59.01380	8.7
71.01371	4.9
73.02937	2.2
78.10652	0.9
83.01379	2.6
83.19005	1.0
85.02937	2.6
87.00869	13.5
89.02451	1.4
93.03442	2.1
99.00889	3.2
100.01640	2.1
101.02412	3.0
109.02928	2.8
110.00092	0.9
111.00871	18.7
112.98777	1.5
113.02486	0.9
119.03378	1.2
121.02963	3.3
122.03730	10.7
123.00864	1.6
123.04488	1.2
129.01947	1.4
131.03488	1.2
133.02962	1.8
135.04558	1.7
136.01668	2.5
137.02414	1.0
140.28726	1.0
142.99858	1.1
146.03716	3.9
147.03076	2.0
147.04526	1.0
149.02423	16.3
150.03210	80.5
151.00319	1.3
151.03998	9.1
161.02417	3.2
161.06003	1.2
163.03958	1.4
164.04764	13.7
164.69884	1.0
165.05551	91.4
166.02618	3.0
166.05904	2.0
173.00912	1.9
175.04010	2.2
176.04733	3.4
179.03557	5.6
179.05641	1.8
179.07108	19.1
180.04257	8.4
181.05022	5.7
191.01884	2.4
191.03487	1.3
191.07097	3.0
192.04189	1.7
193.05026	1.6
193.08627	1.9
194.05794	4.5
195.06596	39.2
205.05023	2.2
207.06549	1.9
209.08131	5.8
234.05321	1.8
246.82587	1.0
249.03947	1.3
249.07608	4.4
250.04681	1.5
260.74866	0.9
262.04672	0.9
264.06348	8.4
265.07080	8.3
267.06683	2.2
277.07089	1.7
279.08636	1.2
282.08981	2.2
291.08426	1.0
297.11255	4.0
315.12262	1.0
327.12347	2.4
337.09256	9.1
345.13324	7.2
375.14401	11.0
400.10217	1.5
413.12463	1.3
461.14487	32.2
462.14487	2.1
521.16382	2.1
566.47504	1.3
579.16718	5.6
597.18158	100.0
598.18579	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	597.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	58.4
61.98823	61.6
67.01862	2.5
67.33447	1.5
67.71208	1.6
68.99807	1.7
70.23357	1.5
70.89146	3.0
71.01365	8.7
72.99312	1.8
73.84285	1.6
77.07095	1.4
85.02940	3.7
88.98801	2.2
89.02430	9.1
93.03445	6.9
93.04028	1.5
95.36777	1.5
96.95984	2.0
101.02431	6.6
102.05618	2.8
111.00873	9.6
111.04523	3.5
113.02446	4.0
119.03492	4.2
119.04998	3.5
127.03982	4.4
128.90158	6.4
135.04500	5.4
137.02455	4.0
139.00352	7.0
143.03546	2.2
153.05539	3.9
162.05568	3.1
163.03983	6.3
165.01923	2.3
172.61238	1.6
176.07106	12.4
177.05493	2.6
178.05127	4.7
179.03557	3.8
179.05600	2.2
186.09328	1.8
194.08125	2.5
195.06615	7.8
206.04459	2.4
208.05722	1.6
208.09813	2.3
218.11816	2.4
220.06207	2.5
230.08121	2.2
236.09201	2.5
239.05479	2.1
273.07681	5.8
275.05576	3.5
285.04025	3.3
286.04291	2.7
295.08102	2.2
307.08194	23.1
308.08609	1.9
315.08658	7.4
333.09482	2.0
338.12332	2.5
354.15897	1.9
398.14496	9.1
433.88083	1.6
435.12781	3.4
534.19708	100.0
535.19922	10.7
567.33838	2.9
597.17822	3.8
608.06836	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20019	2.1
59.01373	100.0
61.98821	29.3
69.23985	25.1
71.01373	60.3
71.80688	2.1
72.99289	5.4
73.02921	2.9
85.02945	10.1
87.00889	6.7
89.02432	80.9
91.12628	2.3
93.03419	2.1
94.35682	2.1
95.01375	7.0
96.96005	4.6
98.20735	3.8
99.00892	2.3
101.02427	32.8
109.02917	4.9
110.74860	2.6
113.02438	28.3
113.54473	2.3
119.03485	33.6
121.02959	2.9
131.03519	3.7
133.02927	5.0
135.04492	24.8
136.01653	5.5
136.04797	5.5
143.03465	9.2
149.04546	4.2
151.03984	6.4
155.10736	5.7
161.02457	17.2
161.04503	8.5
162.02786	5.7
176.04762	2.7
179.03461	10.7
179.05609	39.6
180.03897	4.0
223.06146	2.6
225.07631	3.2
267.06805	2.7
282.08936	3.1
294.08868	2.8
296.10745	3.4
297.11252	3.0
327.12372	20.4
363.39423	2.4
383.09656	3.2
385.10315	3.6
391.14056	2.6
415.11234	3.8
436.43832	2.4
449.20932	3.4
469.59036	2.6
529.59308	3.1
559.21356	3.0
597.18170	8.5
613.26691	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	597.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72425	2.1
53.71983	2.0
55.19828	2.1
57.08567	2.4
59.01138	2.3
59.01371	28.1
59.86659	2.5
69.58124	12.9
71.01375	13.7
73.02933	2.8
80.63212	2.3
83.01363	3.9
85.02927	4.5
87.00876	14.7
89.02451	10.9
93.03440	3.7
96.60813	2.8
96.95985	3.8
98.20653	4.7
99.00838	2.4
101.02399	7.9
101.33342	2.5
109.02900	3.1
111.00867	20.6
113.02389	4.8
119.03468	4.3
121.02917	6.5
122.03719	24.4
123.04491	3.2
131.03430	3.9
135.04497	3.4
136.01619	5.8
137.02432	3.9
146.03722	37.5
147.04434	3.2
149.02444	17.7
150.03212	62.3
151.03995	12.8
155.22864	2.4
161.02386	2.7
161.04837	2.4
161.06039	13.5
164.04785	36.6
165.05545	78.1
166.02702	3.9
166.05850	3.0
173.00941	2.2
175.02472	2.7
175.03915	7.6
176.04735	13.9
177.05547	2.4
179.03487	5.4
179.07103	100.0
180.04239	13.5
181.04988	5.4
191.05582	3.6
191.07068	23.5
192.04321	3.5
194.05771	7.1
195.06599	70.8
203.03386	2.4
207.06482	6.8
209.08040	4.2
249.07532	3.6
264.06226	7.3
265.07092	4.8
267.06561	6.7
277.07114	5.8
282.08841	4.2
297.11078	13.3
312.10071	2.7
327.12094	8.3
337.09308	14.8
345.13388	25.9
357.12332	7.1
375.14423	94.2
376.14651	6.4
461.14465	25.6
462.14844	3.1
505.17078	3.0
579.16870	9.5
597.18066	86.7
598.18372	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	597.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39144	1.1
54.40910	1.3
59.01374	50.7
61.98835	1.0
69.67153	7.9
71.01380	2.5
85.02938	1.5
87.90794	1.2
89.02421	2.8
93.03452	2.4
96.95992	1.5
101.02435	1.7
119.10969	1.2
121.02940	2.7
122.03712	5.3
135.04492	3.6
146.03728	11.4
149.02411	11.0
150.03210	47.1
151.03838	1.8
160.01743	1.2
161.02388	2.5
161.04736	1.3
161.06020	6.8
164.04761	10.3
165.05550	74.7
166.05864	3.1
173.04527	2.8
176.04819	3.0
179.03503	2.5
179.07115	42.4
180.04311	8.3
191.07083	3.8
195.06604	100.0
196.06885	3.8
297.11105	1.6
312.10013	1.6
327.12317	12.8
345.13412	2.5
375.14465	31.8
376.15027	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	597.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88088	1.5
58.00582	2.9
59.01372	100.0
61.98819	9.9
66.48220	1.6
69.52303	7.8
69.52725	4.1
71.00984	3.8
71.01373	56.4
71.10574	1.7
72.99294	3.8
73.50756	1.5
83.36637	1.5
85.02950	10.8
87.00863	4.4
89.02433	83.4
95.01366	3.9
99.81682	1.6
101.02428	31.7
113.02446	26.4
119.03482	30.3
121.02944	10.4
123.04472	3.9
124.01581	1.6
131.03464	5.1
135.04500	2.7
135.23701	1.8
143.03496	10.8
146.03714	4.0
149.02451	5.9
149.04536	2.4
151.03998	2.8
151.70670	1.7
161.02443	4.7
161.04514	11.3
161.05775	2.5
162.03223	3.6
164.04796	3.1
165.05463	2.3
166.02713	2.3
167.03441	3.5
176.04716	5.5
177.05548	3.7
179.05595	38.5
179.07077	5.1
181.05023	2.3
191.07156	11.8
195.06607	3.7
209.04518	7.9
312.09958	1.8
339.12164	2.2
340.06937	1.5
345.13419	6.3
357.13464	3.1
375.14359	9.3
399.14340	6.8
452.66730	1.5
597.18188	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	597.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.2
58.00591	4.9
59.01374	100.0
61.98824	25.5
69.86919	3.1
69.87337	2.8
71.01376	68.8
72.99316	7.1
73.02927	2.2
75.00870	4.5
83.01372	2.0
85.02938	11.1
87.00870	6.3
89.02433	92.5
95.01379	5.3
98.20520	1.6
99.00867	1.5
101.01765	2.0
101.02432	37.1
101.03078	2.2
105.03453	3.6
113.02438	27.2
119.02629	2.0
119.03484	38.9
121.02940	1.6
123.00888	1.5
123.04504	2.3
129.01884	1.1
131.03503	3.8
133.02963	3.2
134.03674	3.8
135.04515	9.1
136.04832	1.8
139.00372	1.2
141.40715	1.2
143.03473	5.0
146.03682	1.3
149.02411	10.9
149.04538	2.9
150.00212	1.1
150.03200	1.6
150.30377	1.2
151.03990	7.4
152.01189	1.2
153.05563	3.2
155.10748	1.6
160.01616	1.6
161.02432	34.5
161.04565	4.9
162.02831	3.8
163.04047	2.1
164.04689	1.9
165.01894	1.2
165.05475	1.6
167.03456	3.2
176.04753	16.5
177.01909	46.6
179.03479	54.0
179.05565	12.9
179.06982	2.2
180.03932	4.4
185.02669	3.1
191.07083	6.2
192.04262	37.8
193.04927	4.4
194.05806	45.5
195.02962	1.9
195.06398	1.9
196.62263	1.1
205.05080	1.8
207.06593	39.4
208.06955	1.4
209.08163	64.4
210.05391	3.9
210.08485	2.7
218.18234	1.2
223.06046	4.1
225.07648	9.0
265.07019	1.1
373.13052	2.0
374.13370	2.4
375.13391	2.8
387.13013	7.4
509.10947	3.3
597.17200	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	597.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	10.5
70.19956	6.3
71.01351	2.8
75.66048	1.5
76.33143	1.5
89.02431	3.1
98.20666	1.5
113.02459	2.0
118.95623	1.5
121.02979	3.6
122.03734	19.3
133.02910	4.9
135.04510	1.8
136.01575	1.8
146.03719	40.0
147.04413	1.6
150.03239	1.9
154.02693	2.5
157.40515	1.3
161.02437	16.4
161.06041	12.3
162.06390	1.5
163.03873	1.8
164.04768	27.1
165.05312	2.4
175.03934	6.6
176.04761	13.2
179.00139	1.7
179.07109	83.9
180.04239	10.6
180.07469	2.8
191.07114	23.6
192.04164	2.3
195.06595	38.0
207.06593	5.3
212.30186	1.3
250.65800	1.4
327.12286	5.4
345.13336	10.4
357.11838	7.9
360.11975	4.0
375.14420	100.0
376.14792	7.5
524.85480	1.6
529.15442	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	597.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	2.2
59.01375	3.7
61.98828	6.1
65.80383	0.6
70.02976	0.6
71.01373	1.5
71.62321	0.8
72.00904	2.4
72.04536	1.0
74.02460	4.6
79.62862	0.5
82.02975	7.7
82.95430	0.6
83.01373	2.1
83.05016	0.7
84.00911	1.0
84.04525	0.7
84.77118	0.5
85.02934	0.7
85.04089	0.9
86.02450	2.2
87.05628	1.6
89.02428	0.7
94.02939	0.7
95.01395	0.6
96.04546	4.4
96.95987	2.3
97.04043	1.2
98.02470	3.3
99.05641	7.5
100.00406	1.1
100.04016	2.3
101.02416	1.9
101.07136	0.7
104.03528	21.1
105.48853	0.6
106.63502	0.5
108.04536	6.5
110.02454	1.3
110.06102	1.2
111.00892	0.6
111.05621	3.3
112.04025	5.5
112.07669	2.3
113.02396	1.0
113.03553	1.6
118.73864	0.5
122.06058	1.0
124.04016	4.1
124.07648	0.6
125.02596	0.6
125.03560	1.3
125.74806	0.6
126.05605	8.5
127.05135	2.9
129.06700	14.6
133.02914	1.0
135.04468	1.4
137.07260	0.6
138.05563	0.7
139.05116	0.6
140.03537	1.0
140.07150	3.3
143.04614	1.5
152.03513	1.6
152.07133	1.9
154.05043	1.2
155.08261	5.3
157.06172	1.4
158.04538	0.6
161.02412	2.4
165.06654	4.7
167.08226	1.9
169.06183	1.3
170.04538	2.1
173.05699	1.1
179.03502	1.6
183.07712	7.1
185.09312	2.2
195.07730	8.5
204.03282	3.7
213.08765	7.6
215.06618	1.1
227.06662	8.6
239.06662	1.6
245.07707	0.9
253.04678	0.9
257.07758	28.8
258.08029	1.0
261.05539	1.9
291.06522	100.0
292.06851	4.1
384.75980	0.6
405.15591	0.6
503.33746	2.8
597.28198	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	597.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
57.03437	6.6
58.00581	1.8
59.01372	72.5
61.98819	11.3
67.01886	3.3
68.06577	0.8
68.99812	4.4
69.03448	15.4
69.38721	6.0
71.01376	20.5
71.05009	2.5
72.99308	7.3
73.02951	4.1
81.03455	0.9
82.33177	0.8
83.01376	1.8
83.05028	0.9
85.02936	7.6
86.76995	0.7
87.00864	2.5
88.98797	2.0
89.02437	25.2
93.03450	14.1
95.01373	3.5
97.02942	1.8
98.19810	1.2
99.00871	4.6
99.04508	1.8
101.02428	15.6
106.06596	0.8
107.05008	2.5
109.02905	0.9
111.00856	14.3
111.04524	6.7
111.08171	2.3
113.02434	11.1
117.03445	3.7
119.03542	6.6
119.05009	16.1
120.05399	0.9
121.02926	2.8
123.04496	3.7
123.08154	1.3
125.02412	2.9
125.06113	0.8
127.04002	7.1
129.01875	0.8
131.03525	3.2
133.02925	2.7
134.06108	0.9
135.04503	8.1
137.02458	6.8
137.06068	3.0
139.00357	7.9
139.11275	27.9
140.11603	0.8
143.03477	1.9
149.02455	1.7
149.04553	2.4
151.03984	2.2
153.02032	1.3
153.05563	5.7
161.02460	4.5
161.04539	1.9
162.05573	1.0
163.03969	6.9
164.07149	2.5
165.01892	2.3
165.05530	2.7
166.05109	1.9
173.04533	1.5
177.05556	1.1
179.03522	4.8
179.05573	4.1
183.10240	100.0
184.10498	4.2
192.06645	1.6
193.04987	0.9
194.05743	1.0
194.08211	1.3
195.06598	29.4
205.04984	1.2
207.02943	1.6
209.04501	0.9
209.08115	1.5
218.68445	0.7
221.04619	1.2
223.47438	0.9
233.06621	2.6
239.05605	2.1
266.08316	0.8
273.07693	8.2
275.05450	5.6
280.09967	1.4
281.06601	1.1
284.03214	1.5
285.03937	4.2
298.10736	4.7
299.11374	3.9
307.08203	26.2
307.11716	1.4
308.08655	2.2
314.13889	1.2
315.08664	11.2
315.48715	0.7
333.09833	4.5
343.08127	1.5
358.12830	10.3
375.10822	3.2
413.14478	42.0
414.14828	3.3
431.15485	27.7
432.16034	2.0
435.12848	4.4
437.10464	0.8
469.13449	1.7
579.23706	0.9
597.18518	3.4
597.26501	3.5
598.19312	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	597.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15821	1.0
54.33693	1.0
59.01091	2.1
59.01374	32.8
69.28820	7.9
69.29225	1.8
69.58303	1.0
71.01373	13.0
74.20269	1.0
77.14931	1.0
80.10638	1.1
83.01359	1.5
85.02942	4.1
89.02415	7.0
98.19859	2.5
101.02438	6.7
112.53041	1.2
113.02425	7.1
119.03502	3.5
119.05022	19.4
137.06035	2.5
153.09950	1.1
161.04565	1.1
162.05679	1.1
164.92235	1.1
186.68779	1.0
195.30373	1.0
202.23831	1.1
255.23264	100.0
256.23578	6.7
261.13531	1.2
269.24783	24.8
270.25262	2.1
279.23254	4.8
281.10287	13.2
297.24277	6.8
299.11426	5.3
310.11911	1.3
313.23563	1.3
401.76486	1.1
537.34180	3.0
597.39764	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	598.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98820	100.0
63.42261	0.2
71.01381	0.4
79.95747	0.4
85.02895	0.2
96.95999	9.1
98.06158	0.2
113.02522	0.3
117.64919	0.2
135.04535	0.5
161.02385	0.5
164.02414	0.2
607.94409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01703	0.8
61.98827	5.3
63.42717	0.6
67.01875	1.2
68.99808	1.9
69.03461	1.0
69.75144	2.9
69.75558	1.4
71.01369	3.5
72.99339	0.6
73.02934	0.9
75.00855	0.7
83.01363	0.7
85.02940	1.6
89.02435	2.8
93.03448	12.0
95.01369	0.9
96.95998	1.0
99.00941	0.8
101.02411	3.3
102.98612	0.8
106.06618	1.7
107.05041	1.3
109.02933	0.8
111.00866	3.2
111.04533	2.2
112.01220	0.9
113.02497	2.0
117.03448	10.1
119.03517	2.0
119.05018	15.7
120.04573	0.8
121.02977	2.3
122.02477	1.1
122.03725	1.0
123.04527	3.4
124.04034	2.0
127.03984	1.5
131.03770	2.8
132.04581	1.8
133.02966	2.9
134.03754	1.4
134.06117	2.2
135.04506	4.4
136.04027	0.8
137.02490	1.7
137.06068	1.5
138.05620	2.4
139.00392	1.4
143.70900	0.8
144.04578	2.3
147.04543	1.4
148.04030	0.9
148.07697	0.8
149.06024	0.7
150.03279	0.8
150.05586	1.1
151.03973	1.3
153.05589	3.6
153.09225	1.2
160.01707	1.0
160.04056	0.9
161.02443	2.9
161.04755	0.7
162.05557	1.5
163.04015	2.3
164.07144	6.7
165.05551	4.2
166.05040	3.6
174.05617	0.7
176.07166	2.1
177.05652	0.9
178.05139	2.7
179.03513	3.5
179.05603	0.8
180.03835	0.8
180.06642	1.0
181.05028	0.9
190.08763	0.8
192.06624	4.7
193.05083	1.8
194.08240	1.8
195.06593	71.9
196.07069	3.1
197.08223	1.4
223.06227	1.4
224.07068	0.9
230.08170	0.9
234.07559	1.2
238.08748	2.2
247.82613	0.7
256.09839	1.4
266.08194	2.1
268.09839	1.5
273.07642	0.8
274.08173	0.8
275.05585	0.7
280.09662	5.4
296.12906	1.2
297.08728	0.7
298.10806	15.4
306.61859	0.6
307.08289	2.4
308.08646	3.0
314.03683	0.7
314.14041	2.6
315.08844	1.1
316.09030	1.8
316.12170	0.9
340.11795	1.5
346.29410	0.7
358.12915	33.1
359.13559	2.6
418.15289	1.1
436.13712	1.0
470.13989	2.1
478.14114	0.8
538.17352	2.9
565.52960	0.9
568.20050	0.8
598.19086	20.5
599.20593	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	598.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11449	0.8
58.02962	7.3
59.01370	3.2
61.98824	4.5
68.99569	1.2
70.02982	0.8
71.01377	1.4
74.02464	14.3
78.91875	3.7
82.02979	1.3
86.02483	6.6
86.99081	1.2
87.05618	3.9
90.00175	1.1
95.02513	1.0
96.95995	3.8
96.96897	0.9
97.04066	1.7
98.20659	1.8
99.05626	15.9
100.03952	1.0
101.02461	1.2
101.07193	2.2
102.05602	2.0
109.04044	2.3
111.05640	0.9
112.04038	2.9
112.98576	1.8
113.02502	1.0
116.01738	1.6
120.01214	0.9
123.05627	2.0
124.04023	1.2
125.03542	2.0
127.05109	2.9
128.03528	38.4
133.02965	1.1
135.04556	1.6
135.05621	4.8
137.05959	0.7
137.07150	1.1
141.06686	2.7
143.04608	52.0
145.06190	1.8
146.03586	0.9
146.04573	6.0
153.06668	4.1
160.00722	13.8
160.15602	0.8
161.02434	2.4
166.09834	2.6
167.04597	3.2
167.08241	2.5
170.03270	1.5
171.03993	1.0
171.51465	0.8
176.54744	0.8
177.03401	5.0
179.03452	1.1
179.04643	12.3
180.04915	0.9
181.06183	1.2
185.05643	2.0
192.07703	0.8
197.05605	2.6
210.08815	11.2
254.07768	17.0
272.08844	30.1
288.06528	11.2
303.67313	0.9
306.07617	100.0
307.07849	4.9
545.07880	1.1
592.38953	0.9
598.28046	11.9
599.28571	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	599.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92480	1.5
59.01374	9.2
67.01882	6.8
68.99807	25.7
69.03452	9.1
71.01379	4.4
72.99313	7.8
75.00865	100.0
80.07608	1.3
84.84875	1.5
89.02449	4.5
95.01377	1.8
95.05015	6.3
99.00906	1.8
101.02430	57.1
102.02798	1.9
111.00864	22.8
113.02386	2.8
121.02929	3.7
121.06631	1.5
125.02422	4.1
126.30895	1.4
127.03998	25.1
137.06085	5.2
139.00325	9.4
139.04002	9.8
143.03517	3.3
149.02409	1.9
153.01924	3.4
163.03984	3.3
165.05586	2.0
171.03014	8.1
179.05606	2.6
223.06030	3.9
235.57895	1.5
259.09708	34.9
260.10239	1.9
291.08710	90.2
292.09052	3.4
361.12875	85.8
362.13229	6.4
523.18085	13.6
545.18359	2.0
599.24377	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	599.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80869	3.8
59.01369	28.3
64.68543	4.2
65.70160	3.9
71.01373	21.7
71.62465	7.3
73.02964	4.8
74.81023	4.0
83.01405	7.1
85.02956	7.1
89.02454	11.6
91.69823	4.0
94.57103	4.2
98.03755	4.9
101.02451	17.4
109.72307	4.2
113.02435	9.0
115.32164	4.5
121.02927	7.7
139.07625	13.7
144.86763	4.2
149.02431	38.3
150.03159	3.8
151.07634	69.5
163.03954	7.2
164.04767	36.9
165.05548	11.4
169.08670	6.7
175.00345	16.5
176.01123	15.5
176.40462	4.5
183.06650	10.1
190.02699	42.4
191.03435	18.5
205.05022	52.8
206.05748	13.2
209.04480	5.3
213.07674	28.7
216.71831	4.8
221.08165	8.5
223.06111	43.4
242.58159	4.8
246.07135	4.9
257.92276	4.7
265.07172	21.8
272.10181	4.4
279.54700	4.3
290.62674	4.9
295.08096	6.2
296.08289	4.5
325.09271	14.9
331.10025	4.7
331.13751	8.9
363.12833	11.5
375.12964	12.9
385.11313	9.3
393.13992	37.0
482.96432	5.0
537.19373	11.5
569.18634	9.6
581.18799	19.0
596.82874	5.4
599.19818	100.0
599.29053	14.2
600.19525	6.3
608.38928	4.6
627.92889	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	599.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80869	3.8
59.01369	28.3
64.68543	4.2
65.70160	3.9
71.01373	21.7
71.62465	7.3
73.02964	4.8
74.81023	4.0
83.01405	7.1
85.02956	7.1
89.02454	11.6
91.69823	4.0
94.57103	4.2
98.03755	4.9
101.02451	17.4
109.72307	4.2
113.02435	9.0
115.32164	4.5
121.02927	7.7
139.07625	13.7
144.86763	4.2
149.02431	38.3
150.03159	3.8
151.07634	69.5
163.03954	7.2
164.04767	36.9
165.05548	11.4
169.08670	6.7
175.00345	16.5
176.01123	15.5
176.40462	4.5
183.06650	10.1
190.02699	42.4
191.03435	18.5
205.05022	52.8
206.05748	13.2
209.04480	5.3
213.07674	28.7
216.71831	4.8
221.08165	8.5
223.06111	43.4
242.58159	4.8
246.07135	4.9
257.92276	4.7
265.07172	21.8
272.10181	4.4
279.54700	4.3
290.62674	4.9
295.08096	6.2
296.08289	4.5
325.09271	14.9
331.10025	4.7
331.13751	8.9
363.12833	11.5
375.12964	12.9
385.11313	9.3
393.13992	37.0
482.96432	5.0
537.19373	11.5
569.18634	9.6
581.18799	19.0
596.82874	5.4
599.19818	100.0
599.29053	14.2
600.19525	6.3
608.38928	4.6
627.92889	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	600.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15412	0.2
59.01369	1.0
61.98824	100.0
63.39462	0.2
68.88223	0.3
69.03435	0.3
69.56842	1.6
71.01389	0.7
76.50223	0.2
89.02453	0.8
95.05042	0.4
98.19875	0.5
98.51451	0.2
101.02451	0.4
113.02477	0.4
119.03491	0.6
121.02918	1.1
127.03999	0.3
145.84999	0.2
146.03702	0.3
161.06062	0.3
164.04834	0.4
179.05608	1.2
179.07159	0.8
180.07504	0.3
180.86121	0.2
195.06618	0.3
220.25613	0.3
223.06100	0.5
371.09515	0.5
376.14789	0.7
377.15155	0.6
378.15369	0.4
403.12372	3.4
601.15497	0.6
628.42480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
61.98824	100.0
71.01392	0.6
71.62402	0.3
78.95898	0.4
79.29364	0.2
89.02454	0.6
95.04995	0.2
96.96027	0.8
101.02451	0.7
105.01938	0.2
119.03532	0.3
133.02946	0.4
135.04529	1.5
138.03136	0.2
149.06084	0.2
157.51027	0.2
161.02396	1.7
165.05560	0.3
173.04514	0.9
177.05559	0.7
179.03462	2.2
180.06032	0.2
181.05014	0.3
221.04521	0.7
251.05688	0.7
281.06705	1.7
339.05743	0.2
341.08746	3.7
403.12869	0.3
488.95978	0.2
537.16425	0.4
600.15570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
62.87898	1.0
63.72425	0.9
66.75399	1.0
71.15720	2.1
76.16083	0.9
78.95911	1.6
125.71079	1.1
152.98436	1.2
152.99591	2.9
164.84389	1.0
182.84654	1.0
190.87927	1.1
256.23666	1.0
427.88284	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	100.0
60.01673	1.0
65.07819	1.1
71.59773	0.9
71.60175	1.0
78.95856	1.2
95.37231	1.0
114.15292	1.1
115.02506	5.7
117.00404	6.4
124.79900	0.9
156.99857	1.2
157.03558	1.6
159.01466	73.3
160.01518	2.5
174.99236	15.0
176.98082	24.2
177.98225	1.3
178.63469	1.0
192.52122	1.1
201.02516	24.7
202.02563	1.6
217.00269	50.7
259.01553	3.3
272.85327	1.1
274.85336	1.0
274.99350	2.6
301.02625	57.2
302.02710	7.4
314.86572	1.2
316.92621	1.5
316.96582	1.9
317.00369	40.6
318.00693	2.7
332.98282	2.0
359.01422	22.7
360.01392	2.8
374.99548	1.9
458.87265	1.9
459.01453	16.8
460.01822	2.4
464.49347	1.0
541.00549	40.2
542.00806	8.2
600.99860	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	601.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06938	1.5
59.01373	27.1
61.98825	13.4
63.52306	1.7
67.01877	2.1
68.99815	4.2
69.03460	10.1
69.49097	8.5
69.49507	4.1
71.01365	19.0
85.02931	1.7
87.00863	2.4
88.48937	1.8
89.02428	27.8
95.05035	8.8
101.02422	21.0
111.00848	5.4
113.02431	8.3
119.03484	13.7
119.51736	1.8
121.02949	41.6
123.04487	6.9
127.03965	4.5
139.00352	5.2
143.03479	4.5
146.05382	1.6
149.04576	2.3
149.36147	1.5
150.66486	1.7
161.04494	6.3
161.25070	1.8
165.05586	8.8
168.48351	1.8
173.43735	1.6
179.05614	42.8
179.07112	5.9
180.05774	3.3
223.06075	28.4
224.06360	1.9
267.46365	1.7
270.32037	1.8
328.52029	1.8
333.08197	3.8
371.09769	28.7
372.10382	2.9
403.12384	100.0
404.12610	7.1
442.82474	2.1
601.15308	14.5
602.14349	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	601.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	2.0
59.01374	71.9
59.94287	1.4
61.98512	1.7
61.98823	19.9
63.85144	1.3
67.16494	1.2
68.99807	8.6
69.03446	13.2
69.33624	8.9
69.34031	3.2
71.01376	48.7
72.99302	2.6
73.02915	2.8
78.95887	3.2
83.01355	1.9
85.02932	8.0
87.00880	5.0
89.02436	65.6
93.03426	1.8
95.01373	2.1
96.95996	6.8
96.96941	2.6
98.19888	2.7
99.00890	3.2
100.07188	1.2
101.02431	43.8
113.02436	27.1
119.03498	33.3
121.02946	11.2
122.03716	2.8
123.04546	1.6
125.02408	1.4
127.04017	4.2
131.03500	2.7
135.04564	1.6
143.03511	9.6
149.02461	6.7
149.04546	2.6
150.03204	14.6
153.05550	2.1
161.04529	12.4
163.03955	2.3
164.98236	1.2
165.05547	16.4
177.01910	4.2
179.05595	45.4
179.07150	3.0
180.04170	2.0
181.05049	3.2
192.04198	2.9
195.02968	1.7
195.06615	8.9
197.08176	3.3
209.04568	1.3
223.06081	47.5
224.06340	1.2
233.47629	1.7
260.08707	1.4
357.76315	1.3
359.13284	2.7
367.39984	1.3
371.09659	3.2
387.12927	1.7
391.13641	2.3
403.12384	100.0
404.12704	7.9
404.30728	1.5
427.12393	1.5
445.13577	2.6
515.10834	1.3
539.04602	1.3
541.21112	3.3
553.19116	6.1
601.14465	10.5
602.16229	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	601.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53859	0.2
52.80993	0.2
58.00574	0.5
59.01374	7.5
61.98823	1.0
64.06620	0.2
68.99821	1.1
69.03448	1.5
71.01373	4.2
71.62469	0.3
71.62843	0.3
72.99310	0.3
73.02953	0.3
76.20357	0.3
81.59476	0.3
83.01358	0.3
85.02944	0.8
87.00874	0.4
88.52879	0.3
89.02428	5.1
93.03422	0.4
95.01363	0.3
95.05016	0.7
97.43960	0.3
101.02428	3.8
107.01382	0.3
113.02428	2.1
116.56729	0.3
119.03498	1.4
121.02944	1.5
123.04580	0.6
125.09708	0.4
127.04057	0.6
133.02931	1.3
134.03734	1.2
135.04507	6.8
135.08211	0.4
136.04849	0.5
139.00360	0.3
143.03488	0.5
149.02368	0.4
153.09196	67.1
154.09523	2.3
161.02422	3.3
161.04550	0.3
163.03986	0.4
164.04834	0.6
165.05653	0.3
167.03485	1.0
169.08600	0.4
173.04536	0.5
179.03502	4.3
179.05602	1.9
179.07047	0.5
185.11845	0.4
186.12144	0.4
191.03406	0.4
193.05052	0.9
197.08160	100.0
198.08495	4.4
205.05069	0.3
223.06081	3.6
285.04025	1.0
324.31033	0.3
403.12442	1.8
491.45761	0.4
559.27826	0.4
601.25134	6.6
602.23840	0.8
614.30695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58490	0.9
58.00597	1.5
59.01374	50.2
61.98822	10.5
68.99804	1.1
69.03475	0.9
71.01373	34.6
72.99308	2.3
73.02934	2.7
76.68947	1.0
78.95885	4.4
83.01384	1.5
85.02933	7.2
87.00859	7.2
89.02432	45.4
93.03458	4.8
95.01386	3.2
96.96001	8.2
96.96960	2.1
97.20631	0.9
101.02435	29.6
104.19573	1.0
107.51223	0.9
113.02423	18.8
119.03489	20.9
121.02917	7.4
122.03728	15.0
123.04596	1.0
131.03494	3.1
133.02951	1.5
135.04460	1.4
136.01657	2.1
137.27715	1.0
143.03499	6.4
149.02432	26.3
149.04503	2.9
150.03206	100.0
151.03706	4.0
160.01704	1.0
161.04561	9.0
164.04768	5.4
165.05550	97.8
165.50841	1.0
166.05867	3.5
167.03477	1.5
177.01904	32.8
178.02478	1.1
179.03459	0.9
179.04001	1.9
179.05588	21.7
179.07135	1.9
180.04233	8.0
181.05017	2.4
192.04257	20.1
195.02963	4.0
195.06604	47.9
196.06985	1.9
207.06578	8.0
210.05328	3.6
223.06134	3.1
225.07657	8.9
241.07291	2.3
316.09494	1.3
331.12000	7.7
337.66959	1.2
359.13342	1.1
387.12930	20.1
388.13284	1.3
391.13892	6.1
392.14005	1.4
403.12363	13.7
405.13901	4.6
445.13275	2.7
468.13147	1.0
541.21161	1.4
553.19208	51.1
554.19531	5.4
601.21686	20.8
602.21484	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	601.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	3.5
59.01374	84.4
61.98824	46.4
67.01883	19.7
68.99800	4.5
69.03455	19.7
69.35900	16.5
71.01373	60.4
72.99286	3.6
73.02923	4.3
78.95898	3.0
85.02952	8.5
87.00856	6.5
89.01904	4.5
89.02435	70.7
90.02753	2.4
93.03453	4.1
95.01363	3.9
95.05010	44.5
96.05336	2.1
96.96004	20.3
99.00941	3.0
99.04499	16.2
101.02436	40.9
111.00875	57.6
113.02441	23.5
113.06088	2.4
118.67689	2.2
119.03485	30.8
121.02955	21.6
122.03725	3.3
127.04003	17.7
131.03427	3.6
133.80081	2.3
135.04538	4.8
136.99112	2.6
137.02428	4.1
137.06064	4.9
139.00356	8.5
139.03949	7.5
143.03461	9.5
149.02444	16.7
150.03204	49.2
151.03937	2.8
153.05505	3.7
161.02423	6.1
161.04543	10.0
162.03210	34.3
164.04677	2.6
165.01915	41.6
165.05551	49.5
166.02298	2.3
171.16325	2.4
177.01933	15.3
177.05525	23.7
177.61166	2.4
179.03447	4.2
179.05569	27.9
179.07024	3.9
180.04254	35.1
181.05025	32.4
183.06525	2.3
192.04274	3.7
195.06606	100.0
196.06873	2.5
213.07680	12.4
225.07651	7.1
227.05673	3.3
241.07114	8.8
259.08362	2.6
276.71414	2.5
331.11893	6.6
357.12006	4.8
387.12811	5.9
391.13879	7.2
403.12805	6.6
439.15918	2.7
445.12854	2.5
493.17093	4.8
553.19214	24.5
565.18585	3.4
601.21631	22.6
602.21582	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	601.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	2.4
58.00586	4.2
59.01373	81.2
61.98824	29.2
71.01377	63.1
72.45695	1.6
72.99306	3.9
73.02925	2.4
78.16403	1.5
85.02954	9.9
87.00865	9.5
88.98772	1.7
89.02434	72.9
91.24209	1.6
93.03439	3.0
95.01392	4.3
96.96001	13.2
98.19913	4.8
99.00888	2.6
101.02435	42.2
113.02435	25.8
119.03481	35.5
121.02937	7.1
122.03706	10.5
131.03511	4.5
135.04501	2.5
136.01604	1.8
137.02419	6.1
143.03448	6.3
145.02933	4.2
149.02428	35.1
149.04474	3.2
150.03209	85.6
151.03610	1.9
155.32442	2.0
161.02525	3.1
161.04497	7.5
162.01891	3.4
162.03204	43.0
163.03699	1.8
164.04764	7.4
165.00545	1.9
165.01913	36.5
165.05547	72.0
166.05951	2.1
169.05011	2.3
175.04155	1.7
177.01915	37.2
177.05536	40.6
178.02289	2.0
178.05809	1.8
179.03445	5.7
179.05579	23.7
180.04276	36.9
181.04964	2.1
191.03491	2.2
191.07552	1.8
192.04262	19.0
193.04903	2.9
195.02849	4.9
195.06595	100.0
196.06894	5.6
196.73396	1.9
207.06599	7.2
210.05280	5.8
221.06642	2.0
223.06137	2.6
225.07649	15.6
316.09271	4.2
331.11902	13.4
357.11871	8.3
359.86435	1.6
373.12750	2.7
387.12897	15.1
391.14023	14.4
403.12497	8.8
405.13962	3.1
439.15924	1.9
484.67264	1.8
553.19189	71.1
554.19519	6.5
601.21460	50.0
602.21643	5.8
619.63177	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	601.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.1
59.01373	52.0
61.98812	2.5
64.05496	1.1
65.99833	9.2
66.03481	1.3
69.03424	0.9
71.01368	2.5
71.94540	0.9
73.02935	1.1
74.06062	1.0
81.02201	2.0
81.03433	1.8
82.06587	1.4
85.02938	9.8
87.00869	12.6
88.04028	20.4
93.03443	2.3
94.02973	2.1
95.04983	2.3
96.04536	4.0
96.95992	3.1
97.04022	1.1
97.06561	1.2
98.02454	1.3
99.04489	2.2
105.01901	2.5
105.23511	1.1
107.04993	2.8
109.04070	5.4
111.04494	2.0
114.01948	3.0
116.05013	1.6
119.04987	2.7
120.04514	2.8
120.40362	1.1
121.02945	1.2
122.02417	1.9
122.04877	2.4
126.72434	1.2
127.03994	2.9
130.08708	4.2
134.06099	1.6
135.04491	4.2
137.02504	1.8
137.03540	3.5
137.06070	11.2
138.05528	2.3
138.09229	30.2
139.03976	1.8
139.08641	1.5
143.87376	1.0
146.06026	1.1
147.04459	1.7
148.04016	3.0
148.07635	1.3
149.06039	3.5
152.03511	9.3
153.10291	3.8
155.11868	2.9
156.06650	2.0
157.13420	1.8
160.04004	3.3
161.04794	1.9
162.05577	3.6
163.05157	1.3
163.07623	1.9
164.10777	1.2
165.05482	1.1
167.11841	4.8
169.06087	1.5
172.03949	1.3
173.04759	1.1
174.05562	2.5
176.07124	2.3
177.05486	1.4
178.05075	22.7
179.11899	8.1
180.06627	4.6
181.09714	1.8
186.05551	2.3
188.03430	2.2
188.07175	2.7
190.08693	2.9
192.06581	2.6
192.09007	8.4
194.08148	1.2
195.06615	13.9
199.10814	8.7
201.12408	2.4
203.08263	2.3
205.09784	3.9
206.04619	1.9
206.10582	5.5
207.11346	100.0
208.11714	4.8
209.09187	1.4
211.10823	4.6
214.05089	2.0
214.12425	1.1
216.10229	1.8
218.10458	1.5
220.06104	2.0
221.05699	6.0
229.66168	1.2
230.11891	2.9
231.11397	3.0
232.13373	1.6
233.12892	4.0
239.13966	4.0
247.07318	1.4
248.12843	2.1
251.10295	6.6
257.05530	1.4
258.11252	2.3
259.10870	8.8
274.11038	1.6
277.11850	4.3
281.71835	1.1
283.12927	35.0
284.13220	2.1
285.12408	2.7
290.14008	1.4
291.13461	7.9
301.15567	4.4
317.10306	1.4
317.14954	3.6
327.13480	1.8
333.18106	2.2
335.12302	5.7
345.14468	2.9
347.16275	2.1
352.11871	1.2
361.13943	4.5
363.15509	1.6
379.18903	2.4
384.14847	1.1
397.17587	17.4
401.43716	1.1
423.17532	2.2
436.42627	1.1
463.17163	1.3
465.19608	4.2
470.18054	3.2
473.18988	1.2
497.22693	5.2
509.19196	2.0
511.20834	2.5
527.21088	1.3
541.21869	2.3
559.22864	70.1
560.23267	9.2
574.11975	1.2
601.23975	80.1
602.23999	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	601.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.5
59.01372	45.5
61.98809	2.3
65.99841	6.9
66.03481	1.5
68.01379	1.1
69.03441	2.1
71.01377	1.3
71.62240	0.9
71.62671	1.6
72.99265	0.8
73.02911	2.1
79.05573	0.8
81.02184	1.4
81.03436	2.6
82.06593	1.5
83.01372	0.9
84.08195	0.9
85.02933	9.0
87.00861	10.3
88.00397	1.2
88.04029	12.1
89.02479	1.0
89.19990	0.9
93.03467	1.2
94.02981	2.6
95.04999	1.8
96.04529	2.8
96.95988	3.5
97.06564	1.0
97.30343	0.9
99.04513	1.4
101.02413	1.1
104.17281	0.9
105.01938	0.9
107.05006	2.4
108.03348	0.9
109.04073	4.0
111.04500	1.8
114.01939	2.4
118.02982	0.9
119.05000	2.1
120.04492	2.1
122.02454	1.7
122.04819	1.8
123.04539	1.0
124.02733	0.8
127.03992	2.4
130.08719	3.5
135.04494	3.9
135.05496	1.1
137.02522	1.5
137.03549	3.9
137.06062	11.3
138.02071	0.8
138.05533	1.2
138.09227	30.2
139.03989	2.7
139.08702	1.6
139.09653	0.9
145.02837	0.8
147.04456	0.8
148.03954	1.4
149.06056	2.4
150.05573	1.2
151.03969	1.3
152.03508	9.3
153.05569	1.1
153.10268	2.9
154.05055	1.0
155.11862	2.4
156.06609	1.7
157.13348	0.9
158.02496	0.9
158.06036	1.7
159.03317	1.1
160.04027	2.3
160.07664	1.0
161.04785	1.2
162.05556	2.9
163.05104	1.2
163.07625	1.7
164.10718	1.7
165.05531	1.4
165.10257	1.4
167.11858	2.7
169.06183	2.3
173.04691	1.1
174.05571	2.8
176.03433	0.8
176.07143	1.9
177.05524	1.3
178.03627	1.6
178.05074	18.8
179.03505	1.3
179.11877	9.2
180.06671	4.9
181.09819	2.6
183.11374	1.0
186.05479	0.9
188.03537	2.1
188.07101	1.9
190.08714	2.5
192.06625	2.2
192.09009	8.8
194.08110	1.4
195.06615	10.6
199.10872	7.5
201.12497	1.7
203.08180	1.9
205.09773	3.4
205.13414	1.4
206.04398	1.0
206.08408	1.3
206.10541	6.3
207.11354	100.0
208.11722	4.1
211.10800	3.7
214.05081	1.6
220.09808	1.2
221.05647	5.9
230.11818	1.5
231.11340	1.8
232.13380	1.2
233.12894	5.6
234.07701	1.1
237.12280	1.0
238.07085	1.3
239.14009	3.2
247.07146	1.4
248.12889	1.5
251.10347	8.7
259.10913	9.4
261.12341	1.0
273.16104	1.0
274.10834	1.1
277.11877	3.6
283.12918	31.3
284.13391	1.7
285.12329	1.6
287.25742	0.9
290.13953	1.4
291.13419	5.1
301.15469	3.9
303.16870	1.3
317.10303	1.3
317.15131	2.6
327.13248	1.6
329.53772	0.9
333.18137	1.4
335.12418	7.3
345.14590	2.1
359.16281	1.3
361.13885	4.0
377.16934	1.0
379.18777	1.4
397.17618	16.8
398.17844	1.4
421.15927	0.9
423.17599	2.7
456.43430	0.9
463.17401	1.0
465.19919	3.4
470.18246	1.2
488.19666	1.0
493.99326	0.8
497.22946	5.4
509.19226	2.6
511.20944	1.3
541.21863	4.9
559.22900	50.6
560.22961	5.7
601.23950	69.4
602.24164	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	601.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55730	0.4
55.01868	0.7
55.69215	0.4
57.03446	1.5
57.59255	0.4
58.00594	2.7
59.01373	53.4
60.01701	0.6
60.38095	0.3
61.98811	0.5
63.83884	0.3
68.76033	0.4
68.99826	0.5
69.03461	0.6
71.01376	51.2
71.61951	0.6
72.01697	0.4
72.99301	3.4
73.02945	3.7
75.00851	1.1
78.95918	1.0
83.01384	6.1
85.02938	8.4
87.00325	0.6
87.00439	0.4
87.00865	17.6
89.02435	48.6
90.02770	0.4
95.01373	3.5
96.96024	1.5
97.02953	1.2
99.00869	1.3
101.02432	27.0
107.03488	0.5
109.71243	0.4
111.00842	0.9
113.02441	23.9
113.19463	0.4
115.03999	0.6
119.03489	18.6
125.02422	1.5
129.01903	1.3
131.03499	2.7
141.01941	1.0
143.03479	7.8
149.04536	1.6
152.99567	0.7
159.02907	0.5
161.04550	9.5
171.10297	1.0
179.05592	19.1
180.05992	0.6
202.39040	0.4
203.05644	0.4
219.05107	0.4
273.22086	1.0
277.21683	100.0
278.22037	6.8
291.23251	7.3
292.23669	0.6
301.21707	1.4
319.22806	4.0
323.09778	16.8
324.10190	0.7
331.24930	0.5
341.10837	46.5
342.11227	2.0
349.23795	0.6
601.32739	1.9
601.46759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3891
Annotation	Lup-20(29)en-28-al-3beta-yl caffeate
Peak:m/z	Relative Intensity
52.61544	0.4
54.31465	0.4
55.65178	0.4
61.91076	0.4
64.64441	0.4
70.11134	1.4
70.66310	0.4
73.75849	0.4
84.52666	0.4
89.47783	0.4
93.59550	0.4
98.20526	0.7
117.03452	15.6
119.05001	2.1
121.02938	1.4
123.04538	0.8
129.63062	0.4
133.02982	0.6
137.26849	0.4
139.49730	0.4
145.02943	36.6
146.03273	1.2
162.03206	0.5
163.03975	1.0
273.21597	0.5
437.34201	2.0
557.39117	0.5
601.38873	100.0
602.39185	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	602.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49100	0.2
53.08388	0.2
55.56886	0.2
59.01370	3.1
61.98821	100.0
63.19262	0.2
67.01876	0.5
68.99822	0.6
69.03436	1.1
69.31290	1.0
69.31712	0.9
71.01383	1.7
85.02959	0.5
89.02434	1.6
95.01378	0.5
95.05014	2.3
96.95999	0.3
99.04531	0.2
101.02442	2.2
111.00853	2.5
113.02438	1.1
116.48798	0.3
119.03506	0.5
119.05016	2.2
121.02938	3.2
121.06613	0.2
123.04533	0.7
127.03996	1.0
133.02954	0.5
134.03722	0.2
135.04494	0.6
137.06087	0.2
139.00317	1.9
139.04031	0.7
143.03523	0.4
145.02917	0.3
147.04527	0.3
149.02466	1.2
153.05620	0.4
161.02397	1.3
162.02814	0.2
163.03984	4.0
165.05588	0.7
179.03404	0.4
179.05621	0.8
179.07060	0.3
180.51469	0.2
191.03575	0.5
195.06689	0.4
223.06126	0.9
264.07401	0.2
275.05698	0.9
275.09286	1.7
291.08746	0.8
307.08130	3.4
317.10498	0.2
322.73032	0.2
345.09744	0.4
371.09897	0.7
377.12433	1.9
401.61346	0.2
403.12488	0.9
435.31613	0.2
539.17584	13.0
540.17944	1.3
542.16583	0.5
571.81116	0.2
603.22791	0.7
623.19818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
59.09370	0.3
61.98822	100.0
63.53754	0.2
68.99822	0.7
69.03439	0.5
69.31164	1.5
69.31590	1.1
71.01385	1.5
73.14846	0.2
89.02447	1.6
95.05019	2.7
97.62854	0.3
101.02429	1.6
111.00848	1.4
113.02424	0.8
119.03504	0.6
121.02959	0.6
122.36411	0.3
127.04010	0.7
136.76930	0.2
139.00380	1.0
139.03990	1.4
147.04504	0.4
149.02412	2.5
156.19765	0.3
179.05644	0.5
191.03494	0.3
195.06523	0.2
223.06137	0.8
275.06027	0.6
275.09189	3.8
276.09711	0.3
307.08191	4.2
345.09763	0.9
377.12350	5.9
378.12744	0.5
403.12494	0.7
458.75583	0.3
539.17596	8.7
540.18182	0.9
614.95801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46685	0.2
59.01372	0.3
61.98820	100.0
96.95995	5.8
98.95581	0.7
152.38911	0.2
165.73820	0.2
471.50119	0.2
534.92755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.0
59.01374	48.7
61.98830	4.7
65.99847	7.7
69.03455	3.5
71.01394	7.9
71.62585	1.8
72.99315	2.9
73.02929	2.0
85.02928	5.8
88.04052	5.9
89.02449	3.2
92.82928	1.5
93.03443	7.6
94.02981	2.9
95.05002	2.2
96.04546	3.1
96.95998	10.5
97.06572	11.6
97.62042	1.5
98.02464	2.3
99.00893	1.6
99.04525	1.4
101.02441	4.5
107.05002	2.7
109.04076	4.0
109.50898	1.5
111.00869	3.0
111.04501	4.4
112.73474	1.4
114.01954	10.8
116.07146	3.6
117.03471	2.3
119.05012	3.4
121.02949	1.9
122.04853	2.7
122.06132	2.1
123.04494	5.2
123.43771	1.4
124.04050	2.2
124.07664	23.4
125.02399	1.6
128.03635	1.5
130.08711	5.2
130.91399	1.6
131.77353	1.5
133.02913	2.1
135.04485	6.5
137.02466	4.7
137.03535	3.4
137.06082	3.0
138.05582	4.9
139.08821	3.1
140.10803	6.5
141.10277	3.7
142.05086	1.9
143.03458	1.8
145.02928	5.2
148.04111	1.9
149.02461	1.5
149.04765	1.7
149.06039	2.3
151.08813	1.5
152.03510	5.1
152.07158	1.7
153.05536	3.9
154.04977	2.2
156.06639	6.7
158.06107	2.0
160.04053	2.2
160.07666	3.7
161.02443	2.7
163.03990	5.3
163.07681	1.9
165.05542	4.7
165.10359	3.8
166.05115	2.1
169.06219	1.8
173.04674	2.4
176.07117	3.6
178.05061	11.3
178.07443	4.0
180.06679	1.8
183.11380	1.8
185.09279	6.2
188.07178	3.1
190.08687	3.2
191.08284	2.8
191.11826	2.6
192.09030	4.7
193.09784	62.7
194.10045	2.0
195.06573	5.5
196.06079	1.6
201.12378	9.3
204.08958	3.7
211.10890	7.4
217.09862	2.2
219.11372	12.4
220.09781	1.9
221.05571	3.8
225.12419	3.1
237.08829	8.7
245.09140	2.6
248.12962	5.1
249.12561	3.9
259.14496	2.5
261.12347	2.0
263.10321	7.1
265.07489	1.7
269.11386	20.4
273.07690	3.8
277.11942	2.2
285.03906	2.6
287.13977	2.9
289.15552	5.3
291.13394	2.8
303.13464	1.8
303.23639	1.7
317.63757	1.8
319.16635	2.9
321.11017	3.6
321.14532	6.9
331.12906	1.7
363.15701	4.7
399.15649	8.4
423.17413	10.0
467.16983	4.8
511.16397	1.9
543.23315	6.2
571.22455	2.9
603.21606	100.0
604.22180	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	603.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66019	1.1
57.03432	1.3
59.01373	77.6
59.69149	1.3
71.01373	12.2
71.61492	2.1
81.03460	1.6
85.02946	4.1
89.02430	9.1
95.05016	2.0
96.95992	3.2
97.06613	2.0
101.02448	8.7
101.95580	1.3
109.06555	2.3
113.02436	4.2
118.70803	1.3
119.03530	1.6
122.06660	1.4
135.08099	2.9
139.11250	5.6
141.05579	7.3
151.11223	1.9
161.02446	1.4
177.09192	3.6
179.33417	1.1
183.10234	8.5
189.84056	1.3
189.85750	1.2
195.10257	25.7
196.10579	1.3
201.11308	3.9
203.12831	1.7
239.09207	100.0
239.43840	1.3
240.09528	4.4
243.12280	2.8
245.80699	1.2
345.15613	1.9
354.83707	1.3
363.16550	90.3
364.16925	6.6
405.17743	1.9
431.68909	1.5
543.22955	2.1
547.98041	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.9
59.50255	0.9
60.99302	13.4
61.98829	1.1
68.92376	0.9
70.18584	0.9
70.75308	1.2
70.75644	1.7
71.01366	1.1
78.95894	3.0
87.00879	6.1
88.00401	6.3
88.01215	0.9
88.98798	77.6
89.02433	100.0
96.96009	8.1
150.89769	1.0
228.46497	0.9
250.17853	1.2
277.21625	2.6
311.44418	1.1
352.43231	1.0
405.48154	0.9
430.57660	1.0
476.27582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3181
Annotation	Withalongolide M
Peak:m/z	Relative Intensity
50.25291	0.7
55.01891	0.8
57.95101	0.6
58.00576	1.9
59.01374	40.5
59.12615	0.6
61.98824	5.6
71.01377	24.6
71.16387	0.9
72.99299	2.9
73.02926	1.2
77.41537	0.6
83.01389	0.8
85.02934	5.6
87.00900	1.7
89.02434	21.9
89.93687	0.6
94.82680	0.7
95.01371	1.7
96.95999	6.0
97.06606	0.8
97.50497	0.7
99.04505	18.4
99.05151	0.9
101.02430	12.8
109.02934	1.0
113.02440	8.1
117.44599	0.6
119.03482	10.0
119.04975	0.8
123.08125	0.8
125.06082	1.6
131.03513	0.8
135.04491	2.1
136.05254	1.5
139.07680	1.1
143.03450	1.0
143.68719	0.7
147.11775	0.7
149.04524	0.9
149.06087	0.8
151.07628	1.5
152.08372	1.4
153.09270	1.1
157.08603	0.7
161.02429	3.8
161.04503	1.6
161.09653	1.0
165.09172	4.4
178.09937	2.7
179.03522	1.8
179.05563	2.7
183.07936	0.9
187.11205	0.8
189.09157	0.9
191.10886	0.8
201.16412	0.9
203.10835	0.8
209.11832	0.7
215.10699	1.9
217.12320	1.4
218.13098	0.9
227.06615	1.0
227.18005	2.5
229.12219	0.7
243.10167	1.1
244.14476	0.7
253.09323	1.6
271.16992	2.6
289.18103	2.3
303.11392	1.0
307.19061	2.1
309.18723	1.9
346.23120	0.9
353.25427	0.8
361.25198	4.9
379.26334	9.4
380.26471	1.0
423.25348	100.0
424.25571	10.5
471.29871	1.1
521.26007	0.8
545.33466	0.8
603.31653	21.9
604.31989	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
55.39132	0.9
57.03436	5.7
57.94770	0.9
58.00574	2.9
59.01372	53.7
61.98814	2.0
62.53946	1.0
69.03449	3.0
71.01372	54.2
71.62167	1.3
72.99298	3.4
73.02934	16.3
83.01373	6.9
85.02940	41.5
86.03313	1.1
87.00854	3.3
87.04507	5.5
89.02432	35.6
95.01379	2.5
96.10173	1.0
96.96003	3.4
97.02923	5.8
99.00867	5.1
99.04491	2.1
100.01650	3.8
101.02431	57.5
102.02763	1.4
103.03994	1.6
109.02928	1.2
113.02429	23.5
115.03979	3.1
117.05559	2.4
119.03496	7.7
125.02411	1.2
127.03952	3.3
131.03485	8.0
137.02440	1.1
143.03477	3.7
145.02971	2.4
145.05063	17.9
157.05037	2.6
159.02936	2.2
161.02438	1.4
161.04533	18.0
163.06096	90.6
164.06433	1.7
175.06097	1.6
179.05551	3.0
181.07080	1.9
186.81741	1.2
205.07121	30.4
233.06415	1.5
235.08134	2.7
247.08116	1.3
264.36469	1.1
277.21683	45.5
278.21957	2.6
323.09781	1.5
325.11334	100.0
326.11676	5.1
343.12357	3.8
421.82925	1.1
439.48135	1.0
495.49557	1.0
528.46368	1.0
603.28223	1.6
603.36786	4.6
604.36859	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	603.353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86504	0.6
59.01373	100.0
61.98837	0.6
62.44423	0.6
70.80878	0.6
71.01385	0.9
71.53181	0.6
79.92532	0.6
81.69698	0.6
88.05278	0.6
145.02893	1.1
277.21704	3.5
291.23291	1.3
511.15973	0.6
530.07062	0.6
567.35266	0.7
603.38293	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46427	2.1
57.03446	3.0
59.01366	5.4
61.98806	4.3
67.46233	2.2
78.95902	3.5
86.43857	2.2
93.93105	2.4
96.96001	5.8
106.82304	2.1
107.08638	7.4
119.08643	10.0
121.10238	2.2
125.09721	5.5
171.10245	68.9
172.10599	3.8
183.10208	4.1
185.11757	5.1
226.08109	2.0
229.19548	7.5
253.09358	2.7
255.23199	4.5
260.74045	2.2
261.18570	8.7
263.20053	2.7
273.18582	19.0
275.20108	7.5
279.19415	5.2
291.19678	27.2
293.21259	13.1
307.26413	6.6
309.20654	78.2
310.20862	4.1
311.22250	64.1
312.22711	6.5
455.35306	18.8
456.35281	2.8
465.32172	5.3
472.27533	2.4
567.40375	3.4
585.41663	6.9
602.12915	2.3
603.42603	100.0
604.42920	15.2
625.93286	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	604.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12627	0.6
59.01367	3.5
61.98821	39.2
69.39490	5.3
71.01373	2.6
71.09716	0.6
72.42539	0.8
73.02928	0.9
89.02412	3.3
92.75502	0.6
93.03432	0.8
96.95986	0.8
98.20643	1.1
99.00872	1.3
101.02441	2.0
101.54850	0.7
107.05003	2.1
110.64745	0.6
113.02418	1.2
117.03425	1.3
133.02942	13.4
134.03751	5.1
135.04509	82.8
136.04845	2.6
149.04495	0.9
161.02429	45.7
162.02748	1.8
173.04572	1.2
179.03471	49.5
180.03786	2.1
357.13440	1.2
404.15134	0.7
456.24094	0.6
506.31451	0.7
541.19189	100.0
542.19342	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	604.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01371	6.9
59.01375	35.6
60.77850	7.0
61.98827	56.0
69.80824	7.5
71.01344	9.7
78.95869	11.1
82.02937	10.1
89.82270	7.9
96.95998	39.6
98.19927	19.6
123.04507	32.2
126.03072	6.6
137.06091	41.5
144.06616	7.9
150.05566	30.5
161.02428	9.4
164.07132	8.8
189.12729	16.1
195.83063	9.4
199.21255	8.6
204.08308	7.9
215.14378	43.7
215.16164	8.6
240.08690	32.6
351.21539	9.0
358.16455	44.7
360.14511	44.4
361.14804	13.0
386.19485	10.5
396.12109	78.2
404.20779	100.0
405.21231	8.6
521.66223	9.2
524.26581	75.1
568.25153	69.0
569.25769	9.7
599.36523	8.5
604.31757	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	4.0
59.01373	100.0
61.98827	40.4
67.01884	6.7
68.99802	13.9
69.03453	17.7
71.01371	47.9
72.99318	2.5
73.02932	4.5
82.95395	2.5
83.01386	3.5
85.02952	9.9
87.00864	4.0
89.02438	53.8
93.03445	3.0
95.01376	6.2
95.05019	40.3
96.95982	9.2
99.00854	5.9
99.04517	2.4
101.02428	49.0
111.00875	17.1
113.02435	24.5
117.03452	5.0
119.03513	16.6
119.05000	10.0
119.05756	2.0
120.05315	2.7
121.02942	18.4
123.04524	5.8
127.04002	11.4
131.03510	2.3
133.02962	7.5
134.03708	4.4
135.04518	12.2
137.02437	2.8
139.00371	15.1
139.03981	16.0
141.54794	2.0
143.03503	4.2
145.02954	16.2
147.04517	7.5
149.02411	20.0
149.04518	3.7
151.03914	6.1
153.05545	3.3
156.88550	1.9
160.01602	6.9
161.02428	16.9
161.04549	7.8
163.03963	9.9
164.04387	2.1
165.05524	5.0
166.05008	2.4
173.04506	2.7
175.03973	8.6
176.04581	1.9
179.03596	10.7
179.05565	19.0
179.07143	4.5
181.05029	7.7
191.03468	2.6
191.05540	2.2
193.04950	9.4
197.08176	2.7
208.01973	3.4
211.07298	1.8
223.04265	3.4
223.06084	24.7
235.06027	2.1
285.03876	2.2
293.08630	2.9
305.06790	4.2
305.10229	35.6
337.09265	38.1
353.10202	4.2
357.09784	2.1
375.10629	6.8
403.12436	22.1
404.12872	2.1
407.13425	57.6
408.13824	3.3
431.66064	1.9
535.31689	2.1
543.20471	5.9
545.25836	5.8
569.18689	78.5
569.27722	4.2
570.18768	7.0
605.24091	14.7
605.41034	3.0
606.23138	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	605.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	50.8
61.98807	4.5
65.99825	4.9
69.03435	2.2
71.01375	4.8
71.62775	3.0
71.82136	1.9
75.00859	3.0
82.02992	14.8
85.02911	7.8
89.02409	2.5
93.03412	7.6
94.02934	3.1
95.02467	3.1
95.04967	5.6
96.20993	1.7
97.04045	2.7
100.00356	2.2
107.04988	2.4
108.04464	2.5
109.02883	4.3
109.04041	2.8
111.00811	3.7
111.04521	10.7
113.02426	3.3
119.04982	3.0
123.04442	6.4
123.05568	13.6
124.03973	2.9
128.03459	7.7
129.79066	2.0
133.02885	4.4
134.03644	8.3
135.04538	22.9
136.02696	7.7
137.02341	5.0
138.05504	4.6
141.06641	4.6
143.04573	2.8
145.02831	4.1
149.03499	5.7
149.06021	3.3
149.07126	5.6
150.04214	2.1
151.05125	100.0
151.08727	3.2
152.03424	5.8
153.02942	2.1
153.05469	7.2
155.10677	7.0
158.06050	3.2
160.07524	3.4
161.02406	12.2
162.04279	4.1
163.03815	2.5
163.05054	2.1
173.04594	2.4
174.05531	2.7
175.05060	4.0
176.07037	5.8
177.06703	26.8
178.05090	10.2
178.06413	1.8
179.03539	10.4
181.04938	2.6
183.07602	2.4
186.05504	2.9
188.07008	7.8
190.08534	6.2
193.04907	6.9
195.03951	3.9
195.06268	2.4
195.07793	3.4
203.04431	7.0
203.08139	3.4
209.09120	3.4
215.08157	2.5
217.09653	4.6
220.09692	4.4
221.05624	18.8
227.06665	24.9
229.06097	2.5
234.07545	4.7
235.07071	2.5
235.10811	2.2
245.09259	10.7
247.07120	3.2
247.10698	3.5
261.08633	3.1
271.09155	5.8
273.07556	6.1
277.11642	2.1
289.08121	2.6
301.89206	2.1
304.54605	2.0
305.07397	2.5
315.08389	3.9
321.10629	2.9
353.09555	2.4
357.10880	23.4
385.49084	2.1
387.45599	2.5
418.14496	2.4
425.12112	3.8
443.13385	3.5
455.11475	7.6
501.14902	2.0
504.15109	17.1
547.42932	2.1
561.17188	88.7
562.17816	14.4
605.19305	90.3
606.19452	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	605.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66676	0.9
59.01373	92.9
61.98818	8.6
67.26102	0.8
69.31113	8.9
71.01365	3.6
72.99289	2.7
73.02951	1.2
74.02457	1.2
75.00896	1.0
85.02949	1.2
89.02430	2.1
93.03397	1.4
95.05002	1.2
96.95981	2.9
98.20651	1.8
101.02422	2.9
102.31119	1.0
105.03400	1.1
107.05019	1.0
113.02481	1.2
116.05047	100.0
117.05373	2.1
121.02935	1.5
124.04033	4.4
132.04494	3.0
133.02943	5.3
135.04399	1.0
137.06094	4.4
138.05576	1.9
140.05026	11.6
142.06598	42.3
144.04523	3.9
148.04019	1.4
150.05531	1.1
151.03967	1.1
154.05310	2.5
154.06592	1.1
156.06805	1.1
156.08105	1.4
158.06062	1.3
159.09102	1.0
160.03949	2.3
162.05589	1.4
163.04022	1.0
164.07156	3.6
165.05562	7.6
166.05055	4.1
166.06517	1.7
167.06085	3.2
170.06094	1.4
174.05516	2.3
174.99631	1.0
176.07127	1.5
178.05089	3.3
182.06096	2.3
184.07617	8.8
186.05495	1.3
190.04918	1.2
192.06641	8.4
192.08159	1.7
194.08240	1.6
203.08340	4.4
217.07866	1.1
219.09270	2.4
220.07718	1.6
233.10815	1.6
234.07622	2.2
243.09218	1.9
245.10759	1.1
246.07843	2.5
247.08733	6.4
250.08636	3.7
259.08572	1.4
261.10284	4.9
262.10858	1.4
263.08044	1.1
265.09995	1.4
271.08630	1.7
274.07468	1.4
276.10226	1.5
277.09821	2.5
279.11389	4.7
289.09766	5.2
291.11252	6.2
293.13013	1.0
303.11343	12.1
304.11713	1.1
311.21753	0.9
321.12372	39.6
322.12558	1.8
339.13419	8.9
363.13599	1.7
381.14505	97.1
382.14832	8.3
543.25214	1.2
558.24927	1.0
605.20508	1.5
605.32605	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	605.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35060	0.8
59.01373	45.2
59.44221	0.6
61.98811	1.4
66.03488	0.8
68.09154	0.6
71.01375	4.4
75.00864	1.3
76.06881	0.6
80.91673	1.3
80.93283	0.8
81.04350	0.7
83.05015	18.6
86.02485	0.9
88.04034	12.3
89.02451	0.9
93.03422	1.7
96.96040	0.9
99.08154	0.7
101.02449	1.9
107.05003	1.9
114.01949	16.8
117.03482	0.9
119.05025	1.2
120.04510	0.8
123.04511	2.7
123.05556	0.8
124.04022	1.9
125.06097	1.4
125.07191	2.2
125.80171	0.6
126.09244	4.3
127.42564	0.7
133.03027	1.0
134.03728	4.0
134.04572	0.7
134.06004	0.9
135.04524	5.2
135.09206	0.9
137.02417	1.3
138.05551	1.9
139.02727	1.0
142.05093	2.1
143.11902	1.5
145.05295	2.1
147.04503	0.8
149.06053	2.8
150.05608	0.7
151.05148	0.9
151.08723	0.9
153.05597	1.0
153.10321	2.9
160.01651	1.6
160.07651	2.0
161.02412	2.2
162.05594	2.2
162.09241	1.0
164.07106	0.8
165.05515	6.1
166.05019	0.8
166.08707	1.7
169.09773	2.2
174.05577	1.1
175.04036	0.8
176.07164	1.3
178.05046	3.5
179.03477	2.9
179.08208	3.2
182.08258	0.9
187.08772	0.9
187.09102	1.0
187.10873	8.0
188.05762	1.2
189.06612	0.7
192.06767	0.8
192.10327	1.9
193.05016	5.8
194.08195	0.9
195.06560	5.5
197.09280	10.8
203.08144	1.3
205.09839	0.9
209.51363	0.7
216.08842	0.9
217.09811	2.3
218.11890	0.7
229.68718	1.1
230.06841	1.3
231.11349	2.1
233.09215	1.4
234.11316	10.3
235.07195	1.6
235.10825	5.7
244.09763	1.1
245.09482	0.8
245.12851	1.0
247.10771	3.8
263.14001	1.7
271.14114	0.8
273.07492	1.5
273.12430	2.2
275.13977	2.8
276.12271	0.8
277.11935	4.4
291.13611	1.0
305.14838	0.9
307.12933	4.1
317.11459	0.9
343.08603	0.7
345.37079	0.8
349.13953	3.2
362.60751	0.8
365.16919	0.9
409.16110	12.6
451.17035	1.2
456.16693	1.0
457.12323	1.1
469.18320	7.8
504.20828	0.7
516.18475	4.1
545.21252	13.7
545.29358	1.2
546.21851	1.1
561.16595	0.8
569.22461	2.7
605.23456	100.0
606.23712	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	605.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	52.7
61.95359	0.8
61.98819	0.9
65.46445	0.9
66.34474	0.8
69.61214	4.8
71.01360	2.8
74.02466	4.9
75.00839	1.8
75.65149	0.7
82.02985	0.8
82.06609	0.9
85.02934	1.4
89.02450	1.8
90.32085	1.0
93.03413	2.3
96.95995	2.0
97.06579	1.1
98.19907	1.9
99.00882	1.4
100.00384	7.8
101.02410	1.6
107.05006	1.8
109.62904	0.8
113.02400	1.4
117.17999	0.8
119.03478	0.8
120.04522	1.4
123.04482	3.5
124.04070	1.0
125.06051	1.0
126.09224	5.7
131.03696	1.8
133.02953	1.7
134.03728	4.2
135.04518	6.8
135.09242	1.4
135.84842	0.8
137.02423	2.3
137.06006	1.2
139.08792	1.2
143.11887	3.0
149.04652	1.4
149.06027	4.3
153.05492	1.1
153.10277	7.7
160.01611	1.9
161.02414	2.1
162.05571	2.0
164.07114	3.0
165.05521	5.1
165.06696	2.3
170.08115	0.9
175.03938	2.3
176.07112	1.6
178.05032	2.8
178.41948	0.8
179.03441	3.3
179.76897	0.9
180.10222	1.3
185.09160	1.0
187.10878	5.1
188.05861	2.1
193.05009	6.2
194.05272	0.9
195.06557	5.4
197.09271	10.1
206.11905	2.0
214.74429	0.8
230.11714	1.1
231.11414	1.2
245.12875	2.3
247.14426	1.5
248.12856	6.8
255.11263	0.9
263.13977	2.9
271.14545	1.7
273.07779	1.9
273.12256	4.1
275.13947	5.8
277.47079	0.9
278.14081	1.1
281.06790	1.1
287.13925	1.3
289.11612	1.0
291.13403	1.8
305.14957	2.3
307.12900	1.9
333.14401	1.4
349.13989	3.5
365.16940	1.0
409.16162	7.5
425.19128	1.3
451.16965	1.0
469.18118	9.4
470.18527	1.5
530.20282	1.9
545.21143	16.9
546.21503	1.8
554.02063	0.8
605.23364	100.0
606.23621	9.9
620.97607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	60.9
61.98801	2.8
68.24255	0.9
69.33946	8.1
69.47646	1.0
71.01375	5.0
72.99281	1.3
73.02913	1.6
73.04037	1.1
74.02465	2.5
75.00831	1.5
75.42243	1.2
78.95923	1.0
79.95712	1.5
82.06618	2.0
85.02905	2.0
89.02420	4.1
93.03443	1.3
95.02461	1.0
96.96000	49.5
99.00843	1.6
100.00383	2.5
101.02402	4.3
113.02449	2.6
113.06075	1.6
117.03444	2.4
118.02985	1.4
120.04538	1.7
123.04453	1.7
124.03982	1.3
126.09198	2.1
130.08734	11.2
133.02956	3.4
134.03729	27.9
134.06015	1.5
135.04550	6.3
136.46706	1.3
137.02361	2.6
137.06046	2.1
138.05522	2.3
143.03474	1.4
143.11862	3.6
145.04082	1.3
149.06082	5.2
150.05560	2.4
153.05525	1.7
153.10268	2.5
156.06668	10.1
160.01613	3.2
161.02440	8.2
161.04543	1.5
162.05565	1.4
164.07132	1.9
165.05504	2.1
165.06711	2.0
174.05521	1.5
175.03914	3.4
176.07146	2.0
178.05061	5.4
179.03448	2.9
187.10872	8.9
190.05031	1.6
192.06670	1.2
193.04988	31.3
195.06567	10.8
197.09273	4.0
202.04999	1.9
205.06171	2.0
206.11749	1.8
218.04327	1.1
231.11340	2.2
233.13039	1.5
234.07706	3.2
235.06087	2.3
245.12837	2.0
247.14320	1.1
248.12764	2.4
260.05649	1.2
263.13800	2.9
265.06989	1.4
273.12350	2.6
275.13968	3.6
289.15533	1.1
307.12979	4.1
319.28897	1.0
349.13907	3.4
365.17160	1.8
409.16049	8.9
451.17105	1.6
469.18143	6.3
470.18207	1.4
474.13574	1.7
505.06549	1.1
527.04083	1.1
530.20050	1.5
545.21289	19.4
545.29333	2.5
546.21564	2.7
561.20862	2.2
563.30609	2.4
569.22424	12.4
570.22491	1.6
573.20197	1.2
605.23334	100.0
606.23859	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	605.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
59.01374	46.6
61.98821	1.7
68.99577	5.5
70.61923	2.6
70.62258	1.4
71.01372	7.7
83.05017	13.7
85.02946	2.1
88.04037	7.9
89.02460	2.8
93.03441	3.3
97.02969	1.8
98.20560	1.2
99.00852	1.7
99.04485	2.3
101.02477	1.9
107.05016	3.2
112.98556	4.4
114.01948	13.3
116.07211	1.9
117.03419	1.8
120.04491	1.1
123.04515	2.2
124.04007	1.5
125.07167	1.6
126.09261	5.1
132.02148	1.4
133.02943	21.5
134.03714	7.4
134.06102	1.4
135.04510	100.0
136.04814	2.9
137.02435	2.0
138.05577	2.6
142.05081	3.3
145.02956	1.2
145.05258	1.6
147.98456	1.2
148.05267	3.0
148.94997	1.2
149.06065	76.3
150.06470	2.9
152.07349	1.1
153.09184	2.4
153.10315	2.4
160.07600	1.6
161.02420	63.4
161.78812	1.2
162.02792	2.2
162.05554	2.0
164.07098	1.4
165.05530	4.5
166.08694	1.4
169.09784	2.6
175.04007	1.2
177.05536	1.3
178.05045	4.6
179.03474	64.9
179.08302	2.1
187.10831	6.6
190.08846	1.4
192.10342	3.0
195.06602	4.7
197.09311	4.3
211.99690	1.2
217.09889	1.7
221.04570	2.7
231.11479	2.7
234.11295	5.7
235.10786	6.3
243.11613	1.4
243.26534	1.1
247.10823	3.4
263.14008	1.8
273.07681	2.0
273.12225	1.3
275.13913	3.0
277.12045	2.4
307.12805	2.7
329.98410	1.4
341.10410	1.4
349.14044	2.7
353.08777	6.8
409.16113	7.7
443.15680	2.8
454.81720	1.5
455.11893	51.8
456.11981	2.8
469.18237	4.4
516.18378	1.5
545.21301	22.3
546.21735	2.3
575.20074	1.6
605.23328	59.5
606.23706	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	605.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99592	1.0
55.01879	1.5
59.01094	1.7
59.01373	28.1
61.98825	7.0
71.01374	16.6
71.62321	1.0
72.99274	1.8
73.02931	2.6
78.12543	1.0
82.95408	9.4
83.05016	2.6
85.02963	5.0
87.00882	2.2
88.98798	2.6
89.02434	13.3
93.03461	7.1
96.96009	5.0
98.95576	2.0
99.04515	13.8
101.02441	9.9
111.00853	1.6
111.04532	5.2
113.02467	6.8
119.03487	4.2
137.02429	2.4
143.03471	1.0
155.03490	6.6
161.02441	1.9
173.04529	13.9
185.81259	1.2
189.12791	4.4
191.05659	5.8
207.13893	18.7
207.79047	1.0
209.04681	1.0
233.12000	1.1
251.12842	43.1
252.13130	2.8
322.16534	1.1
425.18094	3.4
431.19086	26.0
432.19543	1.7
545.25970	3.1
569.11078	1.4
590.79962	1.3
591.08813	1.1
605.24487	100.0
606.24908	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	605.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
58.00589	0.8
59.01374	27.7
60.99287	3.0
61.98827	1.2
65.03957	0.8
67.01882	4.9
68.58343	0.8
69.03446	5.0
71.01373	15.5
71.62306	1.0
72.99313	1.0
81.03461	1.6
82.95374	1.7
83.01393	1.8
85.02940	6.5
87.00861	10.3
88.98785	1.1
89.02435	9.6
91.05541	1.9
93.03451	49.0
95.01374	1.8
95.05009	1.1
96.96075	1.0
99.00864	1.2
99.04503	1.9
101.02432	7.3
107.05048	1.5
109.02943	0.8
111.00903	1.3
111.04511	9.4
113.02430	7.5
117.03463	4.2
119.03519	1.7
119.05019	8.4
121.02945	3.6
123.04401	1.0
127.04031	1.7
129.01950	1.2
131.01680	1.0
133.02946	2.4
134.03745	1.6
135.04509	9.0
137.02412	2.4
137.06073	13.3
138.06476	0.8
143.03523	1.3
145.02908	12.6
146.03302	1.0
148.01627	9.1
149.02339	1.5
149.06073	1.5
150.03191	1.1
151.03976	1.4
155.03479	2.7
161.02394	7.4
161.04488	1.0
163.03999	21.1
164.04337	2.5
165.01927	3.1
169.71596	0.8
173.04523	23.3
173.06012	1.3
179.03549	1.6
179.05624	2.1
181.05016	4.1
182.35254	0.8
189.01942	1.8
191.05597	18.7
207.03000	1.1
207.13937	1.9
219.12350	1.1
233.08138	0.9
251.12828	2.6
277.07162	1.3
283.09735	17.2
284.10049	2.3
301.10773	6.1
302.11197	1.3
327.08670	23.0
328.09061	2.5
329.09137	2.1
345.09576	1.4
360.09106	0.9
381.19016	1.7
384.46896	0.9
405.11813	2.2
425.17993	11.8
443.19211	1.9
507.14868	1.5
517.13440	1.6
567.17175	2.8
569.18097	1.2
605.24524	100.0
606.25781	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.0
60.99303	15.8
61.98794	1.5
70.76343	0.7
70.76687	1.5
71.01382	0.6
72.99287	4.4
87.00881	1.6
88.00388	2.5
88.98798	100.0
89.02432	23.8
92.11585	0.6
96.95995	0.9
101.02431	0.6
113.02500	0.7
125.09921	0.6
134.03624	0.8
135.04486	0.9
145.02989	0.7
163.03983	1.2
194.20021	0.6
256.78287	0.6
380.40036	0.7
515.28528	2.2
605.19189	0.8
605.29376	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	605.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	1.2
59.01097	0.9
59.01371	14.5
69.03448	1.8
71.01382	12.3
72.99274	1.5
73.02946	4.3
83.01373	1.5
83.63772	0.7
85.02932	1.8
89.02423	2.8
99.00902	0.9
101.02430	3.8
113.02394	2.6
117.03419	1.0
139.11290	5.5
145.02980	5.6
165.09184	2.0
183.10248	42.4
184.10559	2.1
190.02898	0.9
229.63669	0.9
263.23697	1.0
273.22174	3.4
277.21707	24.6
278.21954	1.1
291.23227	13.4
292.23517	1.3
317.70023	0.9
319.22598	2.6
327.14621	2.5
345.15457	3.3
373.23691	1.0
402.75958	0.9
453.72443	0.9
605.36823	100.0
606.37244	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	605.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06640	0.3
59.01373	100.0
60.01709	0.9
60.99295	1.3
61.98827	1.0
62.88703	0.3
70.75307	0.9
71.01364	2.7
75.00881	0.3
78.95905	0.7
87.00854	1.7
88.00395	2.9
88.98799	9.9
88.99328	0.6
89.02428	5.3
91.99474	0.3
95.01376	0.3
96.96042	0.4
98.19954	0.5
101.02414	2.1
106.22189	0.3
107.20530	0.3
113.02430	1.6
116.92841	0.4
119.03493	1.4
125.89508	0.4
137.77786	0.3
143.03517	0.4
145.78076	0.3
158.13388	0.3
175.21924	0.4
179.05603	0.6
201.84981	0.4
260.57358	0.3
277.21744	0.6
288.52850	0.3
377.98694	0.3
502.29352	0.5
540.59711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.82190	0.5
61.98817	0.7
64.93021	0.5
65.04013	0.4
71.62334	0.7
114.23525	0.4
119.08651	2.3
125.09682	0.7
141.12804	0.6
155.10748	3.0
157.12239	0.5
167.94698	0.6
171.10252	10.7
175.14690	0.5
185.11761	0.6
206.00259	0.5
219.59027	0.4
229.19618	1.9
273.18542	4.4
277.21704	0.9
291.19614	5.3
295.22763	8.0
309.20679	5.6
311.22391	1.0
313.23801	100.0
314.24207	7.3
395.61380	0.5
455.35223	3.3
457.36661	0.8
472.10587	0.6
605.44263	11.7
606.44623	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	605.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28767	0.9
57.03443	1.6
59.01368	2.4
61.98827	1.3
63.67029	0.7
71.01350	0.9
109.46824	0.8
119.95224	0.8
121.10184	0.8
125.09697	1.7
139.11288	1.1
141.12827	2.9
146.52513	0.8
171.10251	40.0
172.10608	0.9
175.46681	0.7
183.10277	3.3
185.11845	0.8
255.23149	1.2
257.18851	0.9
263.20099	4.6
275.20111	10.3
291.19650	1.3
293.17920	1.6
293.21201	25.3
294.21457	2.7
295.22668	1.0
311.22241	100.0
312.22638	5.6
313.23801	4.4
436.01752	1.1
455.35284	2.3
489.54645	0.9
514.17633	0.8
524.21875	0.8
566.81549	0.8
605.44171	84.2
606.44446	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	606.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79575	3.6
56.92472	3.8
59.01368	7.7
61.98835	21.2
69.33029	33.4
78.95894	8.4
79.22739	3.5
80.34220	3.9
80.58234	3.8
80.82872	3.6
82.29995	4.1
96.95994	100.0
109.97694	3.5
123.04507	5.0
123.87064	3.7
125.65617	3.6
135.80190	4.0
137.06038	8.4
138.57059	3.5
152.99553	11.3
161.02415	6.5
201.07242	4.8
206.63319	3.8
211.47084	4.6
312.23428	3.9
360.14310	7.8
360.18359	5.3
396.12015	16.9
406.22498	6.7
487.34195	7.6
526.27838	11.0
570.27014	20.2
606.31580	8.1
607.29047	36.7
631.61176	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	607.1452
Annotation	Vitexin 2''-O-(E)-ferulate
Peak:m/z	Relative Intensity
52.38662	0.2
59.01364	1.3
60.87022	0.2
61.98817	0.3
63.02377	1.3
65.00339	0.6
65.35751	0.2
71.01381	0.7
82.95416	0.7
83.01368	0.3
84.50312	0.2
85.02963	0.4
87.00819	0.2
89.02444	0.5
93.03461	0.4
95.01392	0.2
101.02444	0.3
105.03442	0.4
107.01369	1.4
113.02452	0.3
117.03448	4.1
119.05025	0.4
121.02865	0.2
125.02419	0.2
125.07670	0.2
132.02144	3.3
133.02943	2.5
134.03741	5.0
135.04506	1.9
137.02444	0.2
145.02869	0.2
149.02409	1.1
149.06068	0.6
151.00313	1.1
159.03232	0.2
159.04488	1.4
160.01642	11.6
161.02420	9.1
162.02789	0.6
163.03970	0.5
169.06573	0.5
171.04504	0.2
175.03989	7.4
176.04459	0.3
177.05484	0.5
178.02617	0.2
179.03487	1.4
180.05736	0.2
181.06561	0.6
183.04456	0.5
190.45168	0.2
193.05051	4.1
196.05278	0.4
197.06075	0.8
199.04048	0.3
201.05519	0.7
203.03464	0.3
221.04468	0.7
223.06087	0.4
224.04716	0.3
225.05545	1.4
227.03389	0.4
268.03693	5.3
269.04501	100.0
270.04849	6.0
283.06079	6.2
284.06528	0.5
285.04086	0.4
311.05530	1.4
323.07669	9.2
324.08014	0.4
337.05630	0.2
337.09140	1.1
341.06332	0.3
413.08591	0.3
426.74747	0.2
431.09674	0.8
503.32462	0.3
569.22382	2.8
570.22424	0.3
571.22803	0.5
607.14441	27.0
608.14777	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	607.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90133	0.2
54.60840	0.2
55.99163	0.2
59.01378	2.7
61.98821	0.9
63.02387	0.3
65.00317	1.1
66.97195	0.3
71.01377	1.0
73.02955	0.4
73.31718	0.2
75.00857	1.0
80.54205	0.2
83.01387	0.7
83.67683	0.3
85.02927	0.4
89.02426	0.5
93.03443	0.4
96.21061	0.2
96.96030	0.3
98.20555	0.7
99.00871	0.3
101.02445	0.7
107.01366	2.2
113.02444	0.4
117.03445	7.4
118.03802	0.4
119.29857	0.2
121.02926	0.6
132.02174	2.9
133.02930	0.9
134.03729	10.1
135.04469	0.9
145.02945	0.6
145.61046	0.3
147.04507	0.4
149.02425	4.8
149.04320	0.2
149.06044	1.1
151.00357	5.0
159.04475	1.1
160.01639	10.6
161.02420	3.4
161.04475	0.3
162.02823	0.3
163.03897	0.4
175.03973	6.9
176.04453	0.5
178.02635	0.3
179.03465	1.0
181.06593	0.9
183.04512	0.8
184.27834	0.3
187.73073	0.3
191.07211	0.4
193.05029	11.6
194.05354	1.0
195.05495	0.4
197.06075	0.5
197.83508	0.3
201.05521	1.3
221.04657	0.3
224.04756	0.4
225.05501	2.6
227.03450	0.9
235.06058	0.6
251.12880	0.2
268.03683	3.0
269.04507	100.0
270.04825	5.4
283.06067	5.6
284.03381	1.2
284.06061	0.3
295.08255	0.3
299.05487	0.9
311.05566	0.5
323.07687	3.7
337.09268	0.6
569.22339	3.5
571.22913	0.9
607.14459	21.3
607.23505	1.6
608.14844	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	607.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	9.5
58.99588	2.4
59.01374	11.8
61.98801	4.1
67.57668	1.7
69.03434	4.0
71.01344	5.1
72.99310	11.8
73.02945	22.5
74.02467	21.7
82.02936	2.7
83.01356	3.6
85.02918	5.2
87.05594	7.1
89.02406	3.9
95.01322	2.1
95.05018	2.1
96.00379	2.5
96.04536	18.2
96.95956	2.6
97.04053	10.8
98.02428	5.1
98.20632	3.6
99.00855	1.9
99.05640	14.6
100.00375	3.5
101.02411	3.0
108.04538	10.4
109.04002	2.0
110.02446	3.2
111.00866	2.4
111.02683	6.3
112.04060	13.3
112.07663	13.7
112.08836	1.9
113.02414	4.7
113.03551	8.8
117.03426	5.4
119.04956	5.6
120.01129	2.0
121.02927	2.7
122.06084	5.5
124.04018	10.2
125.03503	4.4
125.04783	3.6
126.05592	1.9
127.05059	12.2
127.05859	3.0
133.02876	4.6
134.96605	1.6
135.04446	6.8
135.05374	1.8
136.21591	1.5
137.06009	18.7
137.07126	6.8
138.05495	3.1
140.07130	19.7
142.03293	1.7
143.04564	4.4
145.02962	18.9
149.02397	8.3
152.03455	5.7
153.03708	4.2
153.05464	2.4
153.06573	1.8
155.08240	33.9
161.02423	14.2
163.03928	4.2
164.04691	7.8
165.01881	3.4
165.06694	22.3
171.04561	2.1
177.09105	1.9
179.03380	3.5
181.06143	2.0
183.07722	36.5
197.02724	3.7
204.03410	2.5
209.05518	5.4
215.06596	2.9
223.06073	20.3
225.05064	2.5
227.06711	89.9
228.07060	2.4
229.00093	1.8
241.01591	2.9
261.05457	78.5
262.05441	2.4
335.09555	22.4
345.09549	4.1
371.14667	2.3
379.08298	5.3
445.18619	2.7
461.16406	3.4
607.15656	100.0
608.15643	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	607.1594
Annotation	Olivieriflavone
Peak:m/z	Relative Intensity
53.54616	1.0
57.22790	1.0
58.02969	10.3
59.01352	2.2
69.03445	1.8
70.02985	1.2
70.62218	4.0
73.26074	1.0
74.02459	19.6
82.02988	3.8
82.95402	13.2
83.01361	2.8
85.04074	1.6
86.06099	1.0
87.05630	6.6
91.45049	1.1
93.07108	1.4
95.05022	1.2
95.54055	1.2
96.00340	1.8
96.04540	12.7
97.04055	13.8
98.02481	5.8
98.06074	1.2
99.05627	17.8
100.00395	3.0
101.02447	3.2
108.04018	1.0
108.04550	12.5
109.04052	3.7
110.02460	3.2
111.02691	7.5
112.04027	13.6
112.07668	12.5
113.03566	7.7
116.01725	1.3
122.06124	5.4
124.04037	9.9
125.03500	3.3
125.04794	3.8
126.05602	5.0
127.05109	10.6
127.05890	3.0
135.05630	1.5
137.06056	18.2
137.07169	5.0
138.05582	3.4
139.08723	1.7
140.07170	18.7
142.03218	2.3
142.37166	1.3
143.04594	5.3
152.03484	4.6
153.03792	2.0
153.06653	1.6
153.19170	1.1
155.06995	1.7
155.08246	31.5
157.63072	1.2
160.00725	1.9
163.03941	1.7
165.01923	1.9
165.05324	1.7
165.06685	25.1
166.05026	1.5
166.06873	1.2
169.06087	1.3
171.04771	2.4
177.03307	3.1
183.07727	40.2
184.07988	1.4
186.02325	1.7
197.02707	3.3
207.03165	1.0
209.05681	4.1
215.06613	3.3
225.05205	3.3
227.06703	75.5
228.06955	3.6
241.01772	1.7
261.05450	72.9
262.05737	1.9
280.18518	1.4
284.72989	1.3
295.86075	1.0
333.90021	1.2
335.09576	20.7
336.09915	1.4
345.09885	5.2
379.08374	5.0
445.63507	1.2
588.73981	1.2
607.15918	100.0
608.16138	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	607.1661
Annotation	Diosmin 
Peak:m/z	Relative Intensity
55.31453	0.7
59.01372	17.3
61.98814	1.6
71.01373	6.1
71.62650	0.7
71.63001	1.1
72.99274	1.0
73.02930	1.9
83.07488	0.8
85.02918	2.5
87.00861	5.6
89.02402	3.5
93.03429	1.0
96.95991	2.0
99.00819	1.5
101.02390	2.7
107.01318	0.9
113.02448	5.4
117.03449	8.8
119.04962	2.6
121.02913	1.8
121.75297	0.9
123.04458	1.0
132.02136	1.3
133.02943	3.7
134.03732	15.1
135.04483	5.5
145.02002	0.8
145.02934	8.6
149.02342	1.2
149.06007	2.4
151.00330	1.2
151.03934	2.0
153.05508	1.0
159.04413	0.9
160.01654	4.1
160.05202	1.0
161.02420	16.6
161.06006	1.0
163.04012	1.1
173.04503	1.1
175.03947	6.6
175.07518	1.8
177.05608	0.9
178.97968	1.8
179.03442	1.6
189.05420	1.0
190.06224	2.4
193.03322	1.0
193.05028	15.9
194.05217	1.0
205.08592	2.2
211.07497	2.3
226.06256	0.9
227.03387	1.0
227.07137	6.7
255.02951	38.0
256.03522	5.3
268.03571	1.1
269.04550	4.5
281.04379	0.9
283.02451	16.4
284.03217	68.0
285.03796	9.8
297.04041	12.8
298.04703	10.1
299.05557	99.3
300.05847	6.0
311.12854	1.3
326.11398	4.6
329.13782	2.2
341.13861	7.0
401.15982	22.5
402.16257	1.9
431.15387	1.2
443.09332	1.0
445.16702	1.7
447.09521	0.9
461.16379	2.6
501.15955	1.1
547.27448	1.5
607.16412	100.0
608.16718	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	607.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.5
61.98813	1.5
69.03438	0.5
71.01376	3.6
72.99297	1.4
73.02925	0.7
75.00858	0.4
76.85046	0.4
85.02934	0.8
88.98796	0.5
89.02438	2.9
91.01894	1.9
91.05511	0.5
93.03453	2.3
95.01348	0.4
96.67048	0.3
96.96024	0.4
97.02946	0.5
99.00867	1.4
101.02417	1.7
105.03487	0.9
107.05021	2.5
108.02164	0.3
113.02431	1.0
117.03442	2.1
119.01370	0.9
121.02952	3.2
123.04517	0.7
125.02434	1.5
132.02139	1.4
133.02942	19.6
134.03738	10.3
135.04507	100.0
136.04811	3.6
136.74225	0.3
137.02431	4.4
142.75436	0.4
145.02930	1.4
149.04608	0.5
149.06036	0.6
151.03989	13.1
151.05238	0.6
159.04498	0.4
160.01628	0.6
161.02425	50.1
162.02748	2.4
163.04010	0.9
164.04750	0.3
175.03922	1.1
177.01794	0.5
177.05521	0.6
178.02686	1.4
179.03471	60.3
180.03821	2.1
190.02753	0.6
193.05002	2.3
203.03473	0.6
205.04964	0.7
221.04541	4.5
233.06668	0.6
251.05540	2.0
285.04025	1.2
293.06677	1.5
311.07617	2.0
353.08716	13.9
354.09003	0.8
383.09772	0.6
395.09796	3.4
396.09946	0.4
437.10794	0.6
455.11880	75.2
456.12177	6.8
461.16370	0.4
487.14841	0.4
547.27576	1.9
575.13782	1.2
607.15979	5.5
608.16547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09317	0.6
58.22947	0.6
59.01374	10.2
71.01377	8.5
72.01720	0.8
73.02922	1.1
79.05511	1.8
83.01375	1.2
85.02946	2.9
89.02435	6.5
95.01338	1.2
96.96013	9.2
96.96970	1.0
97.02946	2.5
99.04483	1.4
101.02427	5.8
107.05002	0.7
109.06588	1.3
111.04485	1.4
113.02435	7.8
117.03448	2.6
119.03481	3.0
119.04995	1.9
129.07074	1.6
133.02901	1.5
135.04500	0.9
143.08627	2.9
145.02919	10.9
147.08321	0.7
157.10210	1.3
159.11763	18.2
159.13000	1.3
160.12086	0.8
161.02466	4.0
161.04575	1.2
163.03966	1.9
163.45166	0.7
170.07411	1.5
175.07578	0.7
179.05606	1.7
183.11726	1.2
185.09709	4.9
197.02205	2.4
201.12819	3.6
203.10751	28.2
204.11063	1.4
217.12328	1.8
227.10831	2.1
245.11812	3.4
247.09714	100.0
247.56392	0.8
248.10098	6.6
289.10764	6.8
302.71039	0.8
323.49112	0.8
349.12900	2.4
409.14957	20.9
410.15253	1.8
436.64996	0.9
445.15018	9.8
446.15036	1.0
485.65750	0.7
501.62067	0.9
526.19275	0.9
602.66125	0.8
607.18384	0.9
623.19507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.3
59.01371	5.4
71.01382	7.3
73.02957	1.1
85.02943	6.5
87.28904	0.9
89.02444	3.4
89.13286	0.7
95.01351	3.4
101.02477	1.1
106.34900	0.8
113.02430	17.5
117.03454	23.6
118.52025	0.8
119.05016	10.0
123.04486	1.6
135.04504	12.8
137.02370	1.1
145.02934	100.0
146.03265	2.4
153.05574	2.0
161.02414	1.3
161.06067	0.8
163.03983	11.9
235.06082	1.9
297.09436	1.0
303.54651	0.7
307.08267	1.0
399.85580	0.8
448.03049	0.9
461.16565	20.3
462.16904	1.4
533.62897	0.8
607.20233	65.5
608.20496	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	607.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
56.36572	0.3
59.01377	1.3
69.29420	1.1
69.29849	1.7
71.01376	2.7
72.99297	2.3
73.02939	5.1
85.02946	1.3
89.02440	0.5
91.05531	0.6
93.03451	0.4
95.01392	0.3
98.37984	0.3
99.00853	0.3
99.53880	0.3
101.02419	1.7
113.02443	0.9
117.03445	0.8
119.01392	0.9
119.05018	0.8
121.02117	0.6
121.02944	7.4
132.02142	1.2
134.03748	0.4
135.04526	1.0
137.02432	0.3
145.02913	0.6
147.00902	0.6
147.04477	2.9
149.02420	51.4
150.02737	1.5
160.01665	0.4
161.04572	0.6
163.03963	0.7
164.04768	46.9
165.05074	1.7
175.00337	5.1
179.07123	6.4
190.00957	0.5
190.02698	10.5
191.03020	0.5
193.04987	0.4
205.05023	11.0
206.05299	0.4
208.03780	0.5
223.06082	100.0
224.06421	4.3
242.13895	0.3
269.10159	0.4
356.12537	0.4
401.14914	0.5
607.20160	8.2
608.20581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.6
61.28211	0.4
69.36975	3.4
71.01378	7.2
73.02908	0.7
85.02943	6.7
89.02425	4.1
89.03979	0.6
93.03426	0.4
95.01366	2.8
98.19876	0.7
101.02441	1.4
113.01685	0.9
113.02442	16.6
113.03231	0.9
117.03453	28.4
118.03785	0.9
119.03545	0.7
119.05022	9.2
123.04510	3.3
132.02161	0.7
133.02940	10.6
135.04504	11.6
135.05486	1.0
141.62288	0.5
145.02937	100.0
146.03278	3.1
153.05577	4.5
161.02428	39.9
162.02756	0.8
163.04005	9.7
179.03418	0.6
190.06763	0.5
307.08170	0.6
315.10892	1.6
443.15222	0.9
445.17172	0.9
461.16611	21.8
462.17014	1.4
607.20245	55.1
608.20557	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	607.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.1
69.30548	0.6
69.30769	3.0
69.31193	2.7
71.01367	6.7
73.02938	0.8
73.95370	0.6
85.02942	8.3
89.02425	2.2
95.01353	3.2
101.02437	1.4
113.02432	13.8
117.03455	30.6
118.03785	1.4
119.05004	9.1
123.04474	3.5
127.70439	0.7
133.02960	5.2
135.04515	11.4
145.02937	100.0
146.03259	2.8
153.05589	4.0
161.02428	17.7
163.03987	8.9
164.04166	0.7
179.03389	0.6
183.34601	0.6
301.49521	0.6
315.10867	1.7
376.38986	0.6
421.77484	0.6
443.15378	0.7
461.16599	19.5
461.23123	1.0
462.16959	1.4
607.20227	63.8
608.20496	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.6
53.67843	0.5
59.01374	5.5
71.01372	5.7
72.99316	1.3
73.02927	1.2
83.01399	0.6
85.02956	4.2
89.02436	4.0
89.03974	2.1
95.01393	1.4
99.00875	1.1
101.02439	1.9
106.04236	0.6
113.02436	7.5
116.95518	0.5
117.02625	0.7
117.03461	14.9
119.03522	0.9
119.05018	7.4
132.02220	3.2
134.03734	80.0
135.04552	6.6
137.02475	0.9
145.02942	45.9
146.03265	1.3
149.04785	0.8
149.06064	7.8
153.05591	1.0
160.01640	13.5
161.02431	0.7
163.03990	5.4
175.03981	23.9
175.70512	0.6
176.04359	0.7
178.02618	3.3
193.05032	100.0
194.05435	3.4
207.05975	0.6
233.06526	0.6
235.05956	0.7
315.10849	1.0
370.99942	0.7
400.45804	0.6
413.14221	3.6
431.15576	2.5
461.16544	9.0
462.16754	1.1
607.20245	38.2
608.20636	4.1
609.64081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29979	1.3
53.42259	1.1
54.32944	1.1
59.01136	1.2
59.01376	15.6
60.99315	1.5
67.01880	3.2
69.03433	1.5
70.61472	2.1
70.61863	2.2
71.01371	3.8
81.03449	1.4
85.02932	5.9
85.18967	1.2
87.00852	6.9
88.98792	1.6
89.02427	2.1
93.03450	28.7
96.95997	13.3
98.20345	2.2
111.04488	3.1
118.83392	1.2
119.80472	1.3
127.04054	1.2
134.03719	11.2
140.57202	1.2
148.50104	1.1
149.06187	1.0
155.03493	1.4
161.02417	1.7
173.04550	10.5
175.04034	1.5
191.05585	100.0
192.05945	3.5
193.05017	7.1
195.10258	6.2
239.09225	28.7
240.09526	1.6
307.30365	1.2
367.10287	33.6
368.10596	2.9
417.81085	1.2
429.78992	1.4
452.61673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.36172	1.1
59.01359	4.9
69.77803	1.9
69.78210	5.4
70.04922	1.0
71.01375	3.8
73.02919	1.8
89.02438	1.9
90.45565	1.4
100.22906	1.2
102.08494	1.2
106.06647	1.5
111.15675	1.4
136.64684	1.1
194.10056	1.1
194.28319	1.4
242.90244	1.1
277.21609	8.0
278.21930	2.1
291.23425	6.8
293.23981	1.3
316.80493	1.2
319.22699	1.9
347.16696	1.6
366.81693	1.4
419.22333	2.0
430.21274	1.6
431.22375	13.9
432.22830	4.3
443.01663	1.4
443.22388	1.7
444.16150	2.1
444.22748	2.7
445.24417	6.0
446.24478	2.2
447.25250	5.6
456.19525	2.1
457.19791	1.7
459.17789	2.6
459.26410	6.7
460.22867	23.5
461.22833	3.6
471.21747	9.0
472.22546	29.3
473.22803	3.0
474.20288	11.2
475.20081	4.3
475.24796	18.2
476.26001	2.5
487.24966	86.2
488.25354	10.7
498.20557	2.7
502.20004	20.6
504.25092	4.7
513.23059	5.9
516.21277	1.6
519.24536	7.9
519.27240	8.5
520.24432	1.5
531.23920	100.0
532.24359	13.6
534.22430	4.0
535.26514	2.2
545.25421	5.5
547.23370	3.5
548.24139	7.8
563.26520	24.7
564.26611	3.2
575.22693	2.9
579.25964	2.0
607.25745	18.6
607.37994	11.2
608.25677	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	607.2906
Annotation	Scortechinone T
Peak:m/z	Relative Intensity
59.01367	0.6
61.98809	0.7
64.02982	0.4
71.61954	0.4
78.70504	0.4
78.95900	0.6
79.95724	2.9
96.96001	100.0
97.06564	0.4
118.94191	2.0
122.57984	0.5
161.02408	0.6
197.29536	0.5
231.06598	0.5
269.04562	0.5
388.55734	0.5
423.33020	0.5
469.33301	1.5
487.34329	3.9
607.29297	32.5
608.29443	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	607.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21833	0.8
59.01360	1.8
61.98822	1.3
71.08208	2.7
78.05891	1.1
78.83958	0.9
82.31815	0.9
90.47897	0.9
95.04990	1.1
95.11488	1.0
125.09706	2.5
127.11282	1.5
141.12846	1.6
155.10738	2.5
171.10249	35.3
183.10263	2.3
227.20213	2.5
263.20111	4.5
274.28403	1.2
275.20099	9.2
277.21689	1.6
293.21240	19.4
294.21606	1.7
295.22687	7.8
311.22235	77.2
312.22519	3.6
313.23801	62.0
314.24139	4.3
408.60422	1.0
607.45728	100.0
608.46173	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	607.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21922	1.0
59.01368	2.0
61.98792	2.3
78.95889	1.1
98.20647	2.1
102.67729	0.9
102.83059	0.9
139.11191	1.1
141.12837	1.4
141.22874	0.9
155.10767	4.4
171.10239	16.4
172.10742	1.1
179.99457	1.1
221.64571	1.1
263.20273	1.6
275.20212	2.3
277.21655	1.7
293.21130	7.5
295.22675	9.1
311.22269	24.7
312.22458	1.2
313.23804	100.0
314.24121	7.8
342.02475	1.0
344.36386	1.2
607.45734	61.5
608.46069	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	609.124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77024	0.3
59.01380	0.3
61.98835	0.4
63.02387	0.8
65.00319	0.6
69.46953	2.1
71.01386	0.4
78.40176	0.3
90.82362	0.3
100.50704	0.3
105.03438	0.6
107.01358	1.3
109.02937	0.9
117.03410	0.4
121.02946	0.7
132.02167	0.7
133.02939	14.0
134.03793	1.3
135.04494	7.1
147.04459	0.2
149.02428	1.8
149.06076	0.7
151.00351	3.6
151.04071	0.3
161.02428	20.2
162.02829	0.7
171.04576	0.3
175.04001	2.6
177.01909	0.5
177.05511	0.7
178.75882	0.3
179.03482	3.9
185.06149	0.4
193.05048	0.3
197.05959	0.4
199.03973	2.0
201.01936	1.0
203.03430	0.3
213.05600	0.5
215.03491	0.4
217.05005	1.6
229.04868	0.3
239.03468	0.4
241.05008	0.7
243.03044	0.6
255.02969	0.4
256.03702	0.4
257.04318	0.7
284.03284	4.7
285.04004	100.0
286.04321	5.6
310.62311	0.3
323.07587	2.2
327.05359	0.3
376.41763	0.3
398.16232	0.3
447.09134	0.8
609.12366	65.7
610.12799	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	609.1452
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
63.44853	0.9
65.86003	0.8
69.90305	3.4
71.01378	0.9
74.45669	0.7
92.09879	0.9
94.33750	0.8
96.95934	0.8
109.02950	2.3
111.04570	0.8
121.41579	0.8
123.14577	0.7
126.46915	0.7
133.02942	9.2
135.04492	1.6
142.21455	0.9
147.04568	0.9
149.02394	1.2
149.06160	1.0
151.03937	1.0
161.02354	0.8
163.04010	1.0
175.03981	1.9
177.01883	2.0
177.05446	1.3
179.03470	1.0
189.01979	1.1
189.05420	0.8
191.03554	1.5
201.01930	1.7
203.03412	1.7
205.01276	1.2
213.05582	0.8
215.06874	0.8
225.05661	1.4
245.04662	0.9
267.06503	1.1
283.05969	1.0
285.04077	1.6
297.04013	3.2
298.04825	7.6
299.05429	4.3
309.03995	1.7
311.05597	7.7
312.06351	9.3
313.07056	11.4
323.05313	1.8
325.07144	1.6
327.05081	5.3
339.05048	14.5
341.06729	7.7
344.05255	0.9
351.05234	1.5
353.06409	3.9
357.05984	2.1
367.04428	1.1
369.06100	54.5
370.06479	3.1
381.06061	7.7
383.07355	1.7
399.07147	34.1
400.07471	2.5
411.07333	5.8
413.08911	1.2
429.08304	7.1
441.08365	4.0
471.09146	2.3
489.10333	31.7
490.10870	2.3
501.10556	1.2
519.11383	10.2
520.11768	1.3
531.11572	1.2
591.13684	2.1
609.14508	100.0
610.14600	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	609.1451
Annotation	Rutine
Peak:m/z	Relative Intensity
63.02378	0.7
65.00311	1.4
66.40867	0.3
66.68690	0.3
69.68119	1.6
74.68805	0.4
83.01379	0.9
87.74310	0.4
95.93915	0.4
107.01378	3.0
108.02147	1.2
109.02949	1.1
121.02952	1.7
133.34950	0.3
135.00868	1.0
148.01640	1.7
151.00354	11.2
152.00919	0.5
159.04440	0.4
163.00406	2.3
164.01141	0.8
169.01399	0.5
173.78004	0.4
173.87793	0.4
178.99820	5.7
183.04465	0.7
190.81302	0.4
190.99713	0.4
192.00597	0.7
199.02278	0.4
199.03972	0.5
203.03238	0.4
211.03934	1.2
212.04500	0.4
215.03410	0.6
216.04141	0.7
221.61604	0.4
226.02682	1.3
227.03516	2.4
228.04146	0.5
229.04900	0.8
243.02939	10.4
244.03584	0.7
245.04488	1.3
247.09651	0.7
254.02249	1.7
255.02948	25.8
256.03354	2.0
260.27441	0.4
271.02432	58.5
272.02914	4.7
273.03955	0.7
283.02444	0.7
283.95178	0.4
299.01950	1.2
300.02707	83.0
301.03430	31.7
302.03925	1.9
427.79239	0.5
471.91925	0.4
602.49780	0.4
609.14514	100.0
610.14874	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	609.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31613	0.9
59.01372	12.6
61.98790	0.9
69.35285	7.6
71.01376	11.2
72.99303	3.0
73.02957	5.0
82.35155	1.0
85.02935	2.5
87.00847	3.9
88.98782	3.5
89.02429	13.3
98.20688	1.9
99.00861	9.6
101.02440	5.9
107.05000	1.4
108.02172	6.3
109.02940	2.0
113.02433	6.2
117.03431	3.0
119.03461	1.3
119.05003	3.1
121.02937	38.7
123.04496	3.8
125.02445	1.4
131.03467	1.8
132.02127	1.3
133.02939	25.5
134.03799	4.7
135.04507	95.5
136.04813	2.4
145.02913	8.1
149.04533	2.7
149.05959	1.2
151.00327	3.4
152.01157	9.2
153.05521	2.3
157.79668	0.9
161.02417	100.0
162.02736	3.2
163.03990	2.7
179.03473	57.2
180.03819	1.8
181.05025	5.2
191.05518	3.6
207.06557	1.2
243.02985	3.0
248.63379	1.1
251.05612	6.1
255.02927	7.5
271.02356	15.7
272.02933	1.4
285.03989	2.4
286.75363	1.1
300.02661	26.7
301.03311	10.4
310.28558	1.2
311.07742	10.0
315.10962	2.2
331.25052	1.4
353.08731	20.8
354.09045	1.4
361.87955	1.1
375.11032	1.2
383.09851	17.2
413.10815	23.6
414.11169	1.6
437.10519	1.3
445.17047	1.1
447.15103	38.5
448.15219	3.1
455.11719	3.1
473.12851	5.7
487.75195	1.1
591.20837	7.1
609.16351	54.7
610.14984	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	609.1812
Annotation	Calceolarioside C
Peak:m/z	Relative Intensity
57.03425	0.3
59.01373	4.0
61.98829	1.6
71.01374	6.5
71.61676	0.5
72.99324	0.3
85.02943	6.2
87.00848	0.5
89.02431	2.5
94.14088	0.3
95.01381	1.8
95.05037	0.3
96.95995	0.6
101.02456	1.3
101.86780	0.3
105.03457	0.6
107.01370	0.4
113.02437	12.0
117.03442	0.7
119.03478	0.7
123.04485	0.9
132.02177	1.7
133.02940	31.2
134.03366	0.6
135.04506	12.1
136.04797	0.4
143.03474	0.4
147.04572	0.3
149.04488	0.4
151.00412	1.2
153.05554	0.8
160.01563	0.5
161.02423	100.0
162.02754	3.2
175.03960	0.5
178.99898	0.6
179.03444	2.3
193.04942	0.4
203.10739	0.3
216.06274	0.2
227.03406	0.3
243.02989	0.8
255.02930	2.5
269.13956	0.6
271.02454	4.7
272.02939	0.3
297.09927	0.4
300.02698	8.3
300.05972	0.5
301.03424	3.7
307.89905	0.3
315.10849	1.5
362.63956	0.3
394.81516	0.3
411.16934	0.5
447.14993	10.1
448.15894	0.7
449.20419	0.6
586.25037	0.3
609.18304	48.4
610.18530	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	609.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28520	1.4
59.01374	22.8
61.98816	4.3
62.95488	1.7
67.01875	11.6
68.99810	32.4
69.03444	15.2
69.29361	1.6
69.73783	10.0
71.01375	11.2
73.02930	8.1
82.76395	1.9
83.01387	1.8
83.62440	1.5
85.02946	3.9
88.98818	2.7
89.02419	3.3
93.03425	1.9
95.01373	3.6
95.05001	7.5
96.96017	3.0
96.96952	1.7
98.20610	2.4
99.00844	2.3
101.02431	74.1
102.07983	1.5
111.00868	30.8
111.04543	2.0
113.02436	6.0
117.03423	2.0
119.05009	20.1
121.02943	3.4
123.04540	2.2
125.02415	5.1
127.04000	27.3
131.39226	1.7
135.04515	3.6
137.06091	5.8
139.00366	14.1
139.03987	10.4
143.03511	2.9
145.02959	7.7
149.02431	1.6
153.01906	5.0
153.05508	2.2
156.30743	1.6
161.02452	4.0
161.04579	2.3
163.03983	37.1
165.05505	1.6
171.02992	9.3
179.03464	2.4
189.30144	1.8
223.06075	4.9
259.06955	2.0
259.09705	36.2
260.09933	2.1
291.08704	100.0
292.09103	6.0
343.67383	2.2
361.12823	36.2
362.13297	3.2
365.67081	1.8
379.51273	1.6
385.11975	2.0
387.13998	2.0
431.26138	2.4
449.27875	1.7
505.17102	5.1
549.25427	1.8
565.19049	2.1
609.24768	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	609.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91756	0.2
55.01878	0.5
55.34099	0.2
59.01371	3.4
61.98830	0.2
65.03976	0.4
67.01872	0.2
68.99813	0.2
69.03446	0.5
71.01364	2.8
71.62826	0.3
72.99303	0.7
73.02950	0.8
73.74400	0.2
75.00845	0.2
83.01383	0.3
85.02939	1.4
87.00880	0.7
89.02440	1.5
89.03948	1.3
93.03441	0.3
95.01359	0.3
97.02950	0.5
99.00860	0.4
101.02453	0.9
106.04275	0.3
107.04990	0.3
109.02932	2.2
111.00864	0.4
113.02439	0.8
115.04015	0.3
117.03460	6.0
119.05029	0.5
121.02930	0.5
123.00876	0.5
123.04531	0.4
124.01656	2.4
125.02427	1.3
131.03505	0.4
132.02161	3.0
133.02928	0.4
134.03725	74.9
135.00874	1.2
135.04146	1.9
137.02414	1.3
137.09715	0.2
139.03995	1.6
149.02374	0.3
149.06062	6.7
150.05563	0.2
151.00383	0.2
153.01917	14.3
155.10838	0.3
160.01640	9.0
161.02167	0.7
162.03174	0.4
163.04010	0.9
165.05553	0.6
167.03474	0.3
167.74754	0.2
168.00661	0.3
168.64923	0.2
175.03970	13.1
176.04353	0.9
177.05615	0.3
178.02667	3.9
179.03415	0.8
181.05063	2.0
191.05594	3.5
193.05025	100.0
194.05365	4.2
215.99872	0.2
245.04486	0.3
255.03046	0.4
271.02435	0.5
275.07761	1.4
285.04077	0.3
293.08484	0.3
300.02716	1.2
301.03473	0.6
373.12863	0.5
383.10507	0.2
391.13965	1.5
415.11984	0.5
445.17230	0.3
460.56448	0.2
469.13525	1.9
561.17328	0.3
579.18256	0.3
591.18085	0.8
609.18317	6.5
610.18286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88647	0.3
59.01367	0.4
62.96404	0.4
69.94289	1.3
78.95893	100.0
85.71399	0.3
89.02449	0.3
96.96951	7.2
104.79809	0.3
109.43634	0.3
115.40204	0.2
133.02946	1.8
134.04724	0.4
135.04507	0.7
161.02431	8.7
162.02751	0.5
179.03455	1.5
195.05763	0.3
195.87637	0.2
249.08902	0.7
257.28528	0.3
267.09970	65.4
268.10318	3.6
341.08722	4.3
342.09341	0.4
357.56586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	3.6
59.01376	58.2
59.16335	2.7
61.98822	100.0
71.01365	10.3
71.32030	5.9
78.95902	3.4
82.35296	2.6
96.96003	4.8
101.43283	3.1
106.04288	3.2
128.86671	3.0
130.08725	6.5
133.02946	3.7
135.04492	3.4
137.06056	25.2
148.26427	3.1
151.00313	5.1
161.02405	4.2
211.16107	3.3
223.06226	3.5
232.13301	4.8
238.21404	3.2
243.02859	3.5
246.14926	5.1
255.02951	13.1
271.02383	22.3
272.12753	6.7
278.53568	2.8
285.03992	11.3
300.02667	28.6
301.03442	18.7
308.15015	3.8
322.16492	7.6
364.17572	11.7
480.69861	3.6
484.03616	3.0
514.09583	3.3
546.23462	65.2
547.23413	7.4
609.14471	43.5
609.39081	4.9
610.14026	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	609.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04410	0.2
59.01372	5.2
61.98826	0.2
66.65282	0.2
70.70228	0.7
71.01374	3.5
73.02932	0.9
83.01365	0.2
85.02958	0.7
89.02427	2.7
89.03978	0.7
91.05523	0.7
93.03465	0.3
95.01402	0.3
96.95984	0.4
99.00874	1.2
101.02444	1.6
105.03454	0.3
107.05035	2.3
107.26836	0.2
113.02428	0.7
114.82545	0.2
117.03414	1.1
119.03442	0.3
123.04447	0.3
125.02435	0.3
128.00714	0.2
132.02188	0.9
133.02934	18.6
134.03743	8.6
135.04504	100.0
136.04832	3.0
149.04575	0.3
152.99573	0.3
161.02417	46.4
162.02774	1.7
179.03464	60.6
180.03757	1.7
191.05571	0.3
271.02280	0.3
285.03799	0.7
300.02658	0.4
338.45810	0.3
354.69754	0.2
447.22598	0.3
459.71777	0.3
609.25360	73.0
610.15747	0.5
610.25708	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	609.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
59.01374	3.9
61.98815	1.0
69.03463	0.6
71.01372	5.2
71.62048	0.4
73.02928	1.9
75.00861	0.5
78.95913	0.5
79.95740	0.6
80.96505	2.7
83.01381	0.6
85.02937	2.1
87.00883	0.6
88.98776	0.6
89.02431	1.9
91.05506	0.8
93.03462	0.4
94.98076	0.6
95.01385	0.7
96.95995	0.5
97.02953	0.7
99.00883	1.3
101.02416	2.6
106.04249	0.5
107.05032	2.0
108.64723	0.3
113.02430	1.7
117.03457	1.3
119.05056	0.4
121.02982	0.4
123.04521	0.4
125.02437	0.4
125.87251	0.3
132.02165	1.4
133.02939	18.9
134.03734	8.0
135.04506	100.0
136.04825	3.4
155.44223	0.3
161.02422	45.9
162.02730	2.3
171.10275	0.9
179.03471	59.1
180.03850	2.0
182.66782	0.4
211.13454	0.3
225.00754	1.0
227.06773	0.4
251.05479	0.4
263.67624	0.4
291.07089	0.4
309.20813	0.5
403.16684	0.3
408.82516	0.4
424.10831	0.3
447.22482	0.4
471.11252	0.5
609.25299	81.5
610.25726	9.8
610.34955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46004	0.4
55.01880	0.4
57.03448	0.4
59.01383	2.3
61.98827	1.8
63.72428	0.3
64.65183	0.3
71.01368	2.6
71.61006	0.4
73.02950	1.2
78.95902	0.4
85.02950	1.4
87.00867	0.8
88.98781	0.4
89.02459	0.9
93.03461	0.8
96.96011	0.5
99.00871	0.4
101.02425	2.0
102.47604	0.3
113.02455	1.1
117.03445	6.5
119.05016	51.5
120.05372	1.7
133.02881	0.4
135.04544	1.1
145.02937	17.3
161.02425	0.9
161.04520	0.8
163.03990	100.0
164.04312	3.8
179.03474	0.6
185.11888	0.6
248.82066	0.3
262.68048	0.3
269.21106	0.3
291.62161	0.4
300.02563	0.3
338.66714	0.4
350.52982	0.4
432.04398	0.4
609.25427	21.9
610.25861	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	609.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88251	1.4
58.00570	2.7
59.01374	68.2
59.03317	1.4
61.98819	5.1
63.95168	1.6
68.99805	8.9
70.31216	7.2
71.01375	49.8
72.99285	2.7
73.02948	5.0
75.00855	1.9
79.73875	1.6
83.01376	3.2
85.02924	13.4
87.00864	4.9
88.98782	7.2
89.01909	2.6
89.02438	46.5
95.01370	2.9
96.95973	10.2
99.00831	3.0
101.02433	58.3
108.02145	5.5
109.02962	3.5
113.02428	22.0
118.62672	1.6
119.03471	18.0
119.04976	1.7
121.02871	2.7
123.04539	7.9
125.02448	3.4
127.04004	2.3
128.40393	1.6
131.03427	2.0
133.02945	12.7
134.03735	2.1
135.04477	3.9
139.00380	1.8
143.03474	6.8
149.04431	2.7
152.01088	6.3
161.02403	11.8
161.04503	12.3
163.04016	3.1
165.05489	2.3
175.03954	4.6
177.01950	3.1
177.05603	1.9
179.03955	2.4
179.05566	19.7
185.08075	2.4
191.05563	5.3
193.05089	1.8
213.05602	2.1
217.56410	1.7
225.05621	3.1
225.07645	29.8
229.07033	5.3
241.04919	2.2
241.07140	4.4
270.20596	2.2
279.93146	2.1
283.02350	3.4
284.03168	2.9
285.04056	9.6
297.04071	4.4
298.04724	10.1
299.05511	9.2
300.06055	1.9
311.05521	4.0
312.06580	3.7
313.03421	6.1
313.07025	4.1
327.05118	25.1
339.05096	10.5
341.06644	4.9
357.05963	7.0
369.06067	29.6
369.18906	6.0
381.06015	3.7
387.20212	20.4
399.07202	18.9
400.07144	2.4
411.07126	3.0
429.08057	4.9
441.93039	1.6
447.09216	21.5
447.14679	2.5
470.94321	1.9
489.04446	2.4
489.10419	24.3
490.10413	2.5
519.11163	7.6
549.18201	4.0
549.25433	71.7
550.25562	6.9
609.14435	100.0
610.14734	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	609.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	16.0
63.92858	13.1
64.66709	12.2
69.36367	39.4
69.36789	82.4
78.95901	56.5
98.19816	23.6
100.09496	13.3
123.04451	16.5
231.53128	12.2
232.20819	12.7
255.23244	19.1
261.73767	14.4
309.27945	41.8
310.28223	82.4
313.23816	37.1
336.02533	15.5
386.89722	20.6
455.35394	17.9
534.35693	21.6
535.35724	100.0
609.47186	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	1.3
68.36250	0.7
71.62883	0.8
78.95860	1.0
82.38911	0.7
88.99256	0.6
93.03444	1.2
95.05018	30.2
96.95981	1.5
99.54531	0.7
113.43616	0.9
115.71809	0.7
137.02443	1.5
150.02965	2.0
151.00278	0.9
172.08656	0.7
174.55766	0.6
177.12747	0.7
179.14508	1.5
189.05252	1.5
195.13872	8.8
196.14497	0.7
196.93336	0.7
205.12411	1.1
220.37897	0.8
223.13383	5.4
228.13539	0.8
243.13176	0.7
243.54990	0.7
246.12291	12.6
255.02898	2.0
256.13150	1.1
265.21616	1.1
271.02429	2.6
275.20142	3.8
278.11307	58.9
279.11664	2.8
285.04031	1.5
293.21176	100.0
294.21478	7.8
300.02759	5.5
301.03503	2.4
315.19348	30.3
316.19754	2.0
337.87595	0.8
572.31836	2.6
573.33923	1.3
609.14600	5.6
609.41278	19.4
610.15350	0.8
610.41565	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48278	0.8
61.98813	2.2
66.42763	0.9
71.62156	0.8
71.62623	1.0
82.95429	0.7
84.06481	0.8
98.20080	1.0
103.61430	0.8
111.12996	0.8
112.11609	0.7
121.71434	0.8
125.09721	1.1
139.11180	0.9
145.39337	0.8
155.10733	3.5
168.90280	0.9
171.10233	5.5
277.21558	1.1
285.38165	0.9
295.22766	9.5
311.22217	1.5
313.23804	100.0
314.24149	7.3
422.92484	0.9
545.67334	0.9
609.47253	53.7
610.47723	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	609.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46889	5.8
71.62067	8.1
74.58505	5.9
82.26237	5.0
131.48595	6.0
134.80984	4.7
161.63950	5.1
179.53955	5.8
263.69644	6.4
279.23273	100.0
300.02835	6.8
439.94199	5.3
446.25772	6.4
462.23468	8.6
474.23160	11.4
489.25513	20.4
533.24585	29.0
537.32251	6.1
565.26825	9.1
590.66870	5.9
609.14453	10.6
609.25659	10.1
609.38843	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	610.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.0
61.98821	78.2
63.12708	0.8
71.01363	2.0
73.02946	1.0
78.95901	2.3
79.95704	0.8
80.96504	5.6
85.02955	1.6
89.02444	0.8
94.98025	0.9
96.96035	1.7
101.02454	0.9
105.24863	0.9
116.05041	15.8
123.04501	0.9
124.04028	2.9
133.02911	1.3
135.03041	0.8
135.04518	5.6
136.04807	1.3
136.50929	0.8
137.06122	0.8
142.06607	33.5
143.07011	1.5
144.04523	1.1
149.06056	3.7
150.05588	0.9
152.99599	1.1
154.05336	2.2
161.02469	4.0
162.02736	1.0
162.05608	1.3
167.06047	1.0
168.08127	3.9
176.07156	4.0
178.06549	2.0
178.08794	1.1
179.03474	3.2
179.05836	1.1
180.03889	1.0
194.08182	5.5
197.08240	1.5
203.08289	2.6
219.09242	2.3
220.07762	1.1
225.00656	1.5
236.09341	1.2
245.10880	1.3
247.08743	6.8
251.08174	4.1
258.07706	1.2
265.09747	1.3
272.09616	1.1
273.10355	4.4
279.11423	5.9
305.12936	15.0
323.13959	100.0
324.14203	7.3
481.39191	0.9
547.20709	15.6
548.21106	2.2
609.25714	1.0
610.25928	12.5
611.26331	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94168	0.4
59.01374	6.2
61.98822	100.0
68.99807	0.6
71.01368	4.4
71.62762	0.8
72.99303	0.6
73.02950	1.1
85.02946	1.8
88.98805	1.5
89.02434	3.2
90.98479	0.5
92.35131	0.4
93.03471	1.0
95.01392	0.8
96.96011	0.6
99.00864	1.0
101.02442	2.4
105.03455	0.5
109.02947	0.5
111.00856	0.8
112.42186	0.5
113.02428	1.5
117.03436	1.6
119.03532	0.8
119.05023	2.2
120.99627	0.7
124.37047	0.5
125.02399	0.9
132.02107	0.9
133.02943	20.0
134.03679	1.6
135.04514	14.2
136.04869	1.0
137.02431	1.4
145.02916	1.7
146.03256	0.6
149.02419	0.9
149.06068	1.0
151.00333	2.1
153.09167	1.0
155.55627	0.5
159.04477	0.6
160.01759	0.5
161.02422	77.8
162.02756	3.2
163.03983	3.8
164.04346	1.1
164.52768	0.4
165.05544	0.8
175.04051	0.8
177.05551	2.6
179.03476	12.5
180.03822	0.9
189.01634	0.6
191.83090	0.6
193.04921	0.6
197.08200	0.6
205.12328	0.9
221.04495	3.6
251.05643	2.8
281.06573	4.9
285.04025	4.7
286.04321	2.1
287.05591	0.7
300.02850	0.6
307.07980	0.6
323.07693	1.5
341.08786	4.1
433.67664	0.5
506.33661	0.8
521.10992	0.5
524.35492	0.7
547.21777	76.1
548.22095	9.2
550.29419	2.2
610.13678	2.3
610.23981	0.9
611.13739	1.8
611.22571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.8
60.93620	0.8
61.98822	82.7
67.66577	0.7
69.74243	3.0
69.74664	1.3
71.01373	5.8
72.97530	1.8
77.98034	0.8
85.02966	2.1
89.02435	4.2
93.03439	1.1
96.95993	1.8
97.02840	0.7
101.02447	3.3
109.02982	1.4
113.02449	2.3
117.03463	2.3
119.05029	1.2
121.02934	1.2
132.02138	1.5
133.02942	27.1
134.03621	2.8
135.04514	22.8
136.04773	4.0
137.02429	1.7
145.02951	2.1
146.03242	1.1
149.04509	0.9
149.06052	1.6
151.00327	2.2
151.04039	1.1
153.09195	1.6
156.80359	0.8
161.02420	100.0
162.02771	6.0
163.04031	2.1
175.03990	2.3
177.01790	0.8
177.05544	2.8
179.03488	14.2
180.03835	2.6
181.03900	0.9
193.05084	1.3
197.08015	1.0
202.62460	0.9
205.12306	1.8
221.04520	4.0
251.05553	2.6
265.08820	1.6
266.09027	1.3
269.13779	2.0
281.06671	4.1
284.03220	2.2
285.04001	26.0
286.04343	23.6
287.04584	1.3
301.02908	1.2
312.52206	0.8
341.08707	2.6
387.14294	0.9
388.14664	2.0
449.12210	0.7
449.20056	4.0
456.11920	1.1
457.12091	2.3
458.12473	3.3
547.21753	88.2
548.21918	10.8
550.28979	1.6
609.67590	1.2
610.12549	32.3
611.12854	3.5
611.23224	8.4
622.08856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	42.0
59.64006	0.3
61.98832	2.3
67.01878	0.7
68.01396	0.6
69.58724	1.4
69.59134	0.8
78.75440	0.3
78.95887	0.9
81.03427	0.3
83.01377	0.4
83.05016	0.4
84.04537	13.3
85.02941	0.8
93.03445	4.0
100.04013	1.3
102.05595	5.5
106.04224	0.6
107.05028	0.7
108.04564	0.8
110.06093	1.1
119.04993	1.2
120.04546	6.4
121.02961	2.0
122.02489	1.9
125.06062	1.4
137.02487	1.6
137.06067	18.7
146.02495	0.4
146.06123	3.5
152.03516	6.0
152.07155	4.9
152.99542	1.0
160.07654	0.4
162.09283	3.0
164.03529	3.7
164.07187	0.4
166.05069	1.2
169.05037	2.1
178.05104	0.6
178.08696	0.6
179.03487	1.0
181.08662	0.4
185.64911	0.4
186.07716	0.7
188.07126	1.3
189.04285	1.2
189.12811	2.1
190.05101	0.8
194.11845	1.5
196.06129	0.7
204.06642	0.6
206.08177	5.5
215.14253	0.5
220.09659	1.6
222.07661	2.0
232.06015	0.4
238.07216	1.6
238.10840	2.8
241.01082	0.4
250.07217	2.6
257.08115	1.1
264.08731	1.4
275.16302	0.8
282.09769	4.6
284.09296	1.2
300.16095	0.8
342.17001	1.3
343.15402	0.8
344.14926	6.0
345.15308	0.6
352.19141	0.6
402.15500	100.0
403.15833	9.7
428.20486	0.5
446.21826	0.6
534.24963	0.5
566.27484	10.6
567.27936	1.7
610.26477	1.0
611.28186	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	611.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.4
60.84151	0.9
61.98816	1.0
69.18344	0.7
69.44780	3.4
69.45200	2.0
70.58005	0.8
78.95902	3.6
79.95714	2.3
87.15609	0.8
96.95999	100.0
96.96879	3.7
111.03413	0.8
177.20331	0.7
277.21704	1.1
305.65326	1.1
487.33768	0.9
584.00458	1.0
611.35187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.4
59.01372	6.0
60.99291	0.6
61.98514	1.0
61.98822	15.0
63.02376	1.0
65.00315	15.3
65.83504	0.6
71.01380	5.7
72.99313	1.1
73.02951	1.5
76.60793	0.6
83.01376	7.3
85.02961	3.9
87.00848	1.1
88.98790	5.2
89.02442	2.1
89.03950	0.6
93.03490	0.5
96.95992	0.9
97.02946	0.8
98.11024	0.7
99.00888	1.3
101.02449	4.8
105.03431	0.6
107.01379	24.5
109.02948	4.3
111.00832	1.0
113.02438	2.7
117.03535	0.8
119.04977	0.9
121.02936	1.1
125.02432	36.4
126.02834	0.7
131.01376	0.6
132.02159	1.3
133.02011	1.1
133.02943	15.1
134.03764	5.5
135.04509	77.3
135.28770	0.6
136.04845	2.7
137.02419	1.4
143.03436	0.7
145.02946	1.3
149.02448	1.0
149.06018	1.5
151.00351	100.0
152.00728	2.1
153.01891	0.9
153.09262	0.9
159.04445	1.0
160.01680	0.9
161.02420	62.9
162.02791	2.6
165.01859	3.5
169.01396	1.1
175.00392	2.8
175.03908	1.2
177.01927	4.5
177.05554	3.0
179.03456	11.8
180.03682	0.6
186.72853	0.6
190.02606	0.6
191.03452	0.6
193.05048	4.7
202.10216	0.9
203.03430	1.1
205.05020	1.2
211.15225	0.7
221.04518	4.8
229.67241	0.6
263.05579	0.7
269.04398	0.9
280.05670	0.9
281.06491	1.0
281.70581	0.6
285.04019	12.2
286.04285	1.5
287.05569	35.9
287.22278	4.8
288.05878	2.5
299.20441	1.1
323.07663	42.8
324.08112	2.4
431.26343	1.4
449.10849	10.9
449.27530	6.3
450.10779	0.9
475.08560	3.6
501.10333	4.4
549.23206	6.6
551.30762	3.9
593.32648	0.8
611.13971	82.5
611.22412	3.5
611.32794	34.9
612.14288	11.1
612.32996	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	611.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98219	1.4
57.03428	1.5
59.01376	3.1
69.03439	1.5
69.83876	5.0
69.84272	3.3
71.01344	2.6
73.02942	1.7
78.01751	1.3
81.03454	13.3
83.01364	13.9
85.02941	2.9
86.29834	1.1
93.03427	3.4
95.01363	4.4
95.05002	7.2
97.02923	7.8
99.04512	7.1
101.02438	2.2
107.04997	2.2
109.02926	3.8
111.04515	3.0
113.02442	3.9
117.03455	3.0
119.05000	1.7
121.02930	6.2
123.04509	30.0
125.02431	35.6
135.04459	5.3
137.02455	11.1
137.06044	2.7
138.03229	1.5
139.04013	4.4
147.04480	2.2
149.02377	2.2
151.03931	5.3
153.05507	3.2
155.03447	3.3
159.04416	1.4
163.03987	3.4
165.05473	4.0
166.02640	1.5
167.02122	2.6
167.03470	42.3
177.01805	1.9
179.03496	11.6
181.05084	1.8
191.03476	1.8
193.05040	2.5
197.04524	15.4
207.02968	1.6
209.04515	100.0
210.04843	5.7
221.04460	6.2
233.04454	1.8
238.70113	1.5
239.05569	78.0
240.06033	2.3
251.05525	5.7
269.03964	2.6
269.06613	30.7
270.06985	2.0
281.06598	4.2
311.07639	9.2
329.08774	18.8
341.08612	7.8
359.09753	5.3
371.07648	46.8
372.07889	3.2
383.07355	2.3
393.41724	1.7
401.08701	35.0
402.08957	2.3
418.67242	1.8
431.09622	9.6
449.12738	11.7
473.10684	8.6
491.11914	23.8
492.11908	3.3
503.11551	6.0
521.13080	3.9
540.03436	1.4
549.95245	1.8
611.15961	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	611.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54583	1.0
55.01855	1.2
58.00576	3.3
59.01371	100.0
61.98516	1.8
61.98819	27.0
68.99801	4.6
69.03437	1.5
69.27237	4.1
69.27667	5.9
71.01373	64.2
72.99299	5.3
73.02927	1.7
75.00885	1.4
83.01363	2.7
85.02944	13.9
87.00867	5.5
88.98772	3.5
89.02431	79.9
92.43972	1.0
93.03442	1.5
95.01382	5.8
95.04987	1.1
96.96037	2.5
101.02427	36.8
103.69112	1.1
107.05018	2.9
113.02436	27.2
117.03436	1.2
119.03483	33.3
119.04949	1.5
120.99624	3.4
121.02917	7.5
123.04504	1.4
125.02403	1.5
127.03999	3.7
131.03462	4.3
133.02910	4.4
134.03702	2.3
135.04514	18.8
137.02434	10.3
143.03467	9.3
145.02911	2.6
149.02411	10.6
149.04460	2.9
151.03937	1.9
153.01909	2.6
153.05557	2.1
154.27945	1.0
161.02415	13.1
161.04507	9.0
163.03990	3.3
167.03397	1.5
179.03473	7.2
179.05577	23.8
193.05008	1.4
195.06601	10.1
197.08195	1.7
209.08226	1.5
221.04523	1.6
239.05573	7.7
269.04477	3.8
281.06552	7.7
284.03110	2.7
285.04056	10.6
299.07834	1.4
433.55771	1.1
447.09018	2.5
457.27444	1.2
461.12860	1.5
495.18433	3.7
523.68231	1.1
549.23242	1.7
573.21503	1.5
593.12439	1.7
611.23792	7.5
612.23395	1.1
632.36609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28958	1.2
57.03447	1.5
59.01374	71.9
60.01728	0.9
61.98820	2.2
65.03964	1.0
66.31082	0.9
67.01869	2.6
68.99811	28.8
69.24408	4.5
69.24849	5.5
69.76772	0.8
71.01379	7.5
73.02953	1.2
81.03466	1.4
81.09410	0.9
81.95458	0.8
83.01392	1.9
84.02182	1.3
85.02940	12.8
87.00911	1.0
88.98799	1.4
89.02441	9.2
91.05523	3.4
93.03452	7.6
95.01388	3.3
99.04490	2.3
101.02432	45.6
106.04263	1.3
107.05003	2.7
109.02942	2.0
111.00869	69.9
112.01189	1.3
113.02448	3.2
116.92831	3.4
117.03448	3.5
119.03479	4.2
119.05011	17.1
120.05311	1.1
121.02969	3.8
122.03721	4.0
125.02441	2.8
127.03993	8.1
133.02914	4.5
134.03732	27.9
135.04547	8.0
136.01636	1.3
136.05240	1.1
137.02422	6.3
137.06097	2.8
139.00363	33.0
143.03441	2.1
145.02937	5.3
149.06050	6.8
151.03998	6.1
151.07628	5.9
152.04756	2.5
153.01927	1.6
153.05524	1.2
159.04436	1.0
161.02429	11.3
162.02882	1.1
163.03992	52.7
164.04335	3.3
165.01845	1.3
167.07123	3.6
171.02972	3.0
175.04062	2.2
177.05544	2.8
179.03484	29.7
179.05255	1.4
179.05621	2.0
180.03802	1.7
189.01913	10.4
193.05048	1.5
194.05817	19.1
195.06569	1.2
203.03461	1.4
207.02943	3.3
209.08165	49.3
221.04494	3.3
261.07678	2.7
285.03882	1.8
287.09155	10.1
289.07138	2.3
305.10117	2.2
313.10773	23.7
313.14404	1.2
314.11124	1.2
321.09747	100.0
322.10049	4.0
327.12274	1.3
329.10312	3.2
345.13354	12.1
347.11301	26.3
348.11713	2.3
357.09720	8.7
358.10059	1.7
371.11261	5.5
389.12399	18.4
390.12582	1.3
449.14410	7.8
551.17072	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45934	0.2
56.86787	0.2
59.01370	0.4
59.88442	0.2
61.98815	1.4
71.01364	0.5
71.62706	0.4
78.95901	2.7
79.95732	2.9
89.02441	0.2
94.98095	0.7
96.96000	100.0
96.96886	4.0
97.95975	0.3
98.02494	0.3
128.36664	0.2
134.03729	0.4
135.04491	0.9
161.02426	0.4
161.49216	0.2
169.14941	0.2
179.03484	0.6
193.05003	0.4
197.08139	0.4
235.79913	0.2
245.23904	0.2
258.85519	0.2
299.96585	0.3
415.06232	0.2
426.01828	0.3
452.24487	0.3
579.72510	0.3
610.39240	0.4
611.25031	1.5
611.37866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
58.00587	2.5
59.01372	61.6
60.99305	0.7
61.98822	0.8
69.42453	5.2
71.01372	29.5
72.99323	1.3
73.02937	1.4
75.00385	0.6
83.01337	1.2
85.02943	6.5
87.00879	1.1
88.98793	11.3
89.02430	28.3
95.01362	3.1
99.04504	23.2
99.05156	1.4
101.02431	12.2
111.04508	1.7
113.02433	11.8
119.03489	7.9
121.06589	0.8
134.03773	0.9
135.04544	0.8
136.79395	0.7
161.02449	1.2
163.14925	0.7
166.84697	0.6
179.05649	1.6
180.04309	0.8
189.12848	6.9
207.13870	45.4
208.14235	1.9
223.06155	1.7
233.11754	1.8
236.14252	0.7
251.12852	72.5
252.13107	3.6
269.13922	1.4
359.14923	2.3
389.16055	2.4
431.19135	87.2
432.19595	6.7
449.20419	1.3
611.25458	100.0
612.25787	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	611.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.8
61.98825	0.3
68.66950	0.2
68.83864	0.2
69.08577	0.2
70.70572	0.6
71.01383	0.4
78.95898	2.9
79.95728	3.7
86.24832	0.2
88.95539	0.2
96.96000	100.0
96.96883	3.9
97.95919	0.3
116.92854	0.4
119.84778	0.2
126.12345	0.2
138.01566	0.2
141.01683	0.5
152.97626	0.3
262.44589	0.2
275.20712	0.2
276.98038	0.2
277.21451	0.4
393.96851	0.2
471.34659	0.4
493.12793	0.2
529.30304	0.4
611.26776	0.3
611.35718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98804	0.2
63.13261	0.2
69.36346	0.4
69.36757	1.1
75.00862	0.2
77.52684	0.2
78.95895	3.2
79.95735	3.5
81.52758	0.2
85.59945	0.2
86.14046	0.2
96.96001	100.0
96.96886	4.0
98.19933	0.5
98.20613	0.4
102.12093	0.2
160.82866	0.2
161.97809	0.2
163.06125	0.4
277.21780	0.6
295.10339	0.6
302.94614	0.2
317.44302	0.2
317.57635	0.2
351.06009	0.2
398.59143	0.2
407.45261	0.2
443.59683	0.2
453.33920	0.5
471.22012	0.2
529.35455	1.5
566.20294	0.2
611.35150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
57.03437	0.8
58.00580	0.3
58.05587	0.3
59.01091	0.6
59.01373	9.0
61.98515	0.5
61.98824	8.9
63.19508	0.2
67.23795	0.3
68.99810	0.4
69.03437	0.6
69.30839	0.9
69.31264	1.6
71.01375	9.3
72.99302	0.8
73.02938	2.6
73.49440	0.3
75.00836	0.4
83.01373	2.1
85.02946	3.8
86.00092	0.6
87.00871	2.3
89.02420	2.6
95.01388	0.9
97.02917	0.5
99.00842	1.0
101.02428	4.8
111.00867	0.9
112.01700	0.3
113.02444	2.6
119.03496	1.0
119.05012	0.3
121.02975	0.3
124.01614	0.4
125.02432	1.2
133.02989	1.5
134.03737	0.6
135.04524	2.0
137.02434	0.4
141.01848	0.3
143.03487	0.4
145.02896	0.4
149.02449	0.7
151.89063	0.3
157.12239	0.3
161.02423	6.4
164.04752	0.6
179.03484	1.2
179.06990	0.4
195.06339	0.3
205.04919	0.4
220.48677	0.3
223.06090	0.9
241.21585	0.4
269.21240	1.9
271.30078	0.3
285.04007	0.8
286.04367	0.6
287.22229	12.1
288.22559	0.6
332.67535	0.3
431.26462	4.1
432.26782	0.4
447.14923	0.3
449.27493	16.5
450.27634	1.5
491.28522	0.3
515.87152	0.3
548.22443	0.4
549.23383	5.4
573.22394	0.4
593.31537	1.4
611.32727	100.0
612.33057	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	612.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14212	0.2
56.28801	0.2
58.87633	0.2
61.98822	100.0
66.73965	0.2
70.07227	0.2
70.07560	0.9
71.59638	0.2
85.87805	0.2
89.98833	0.2
94.74402	0.2
96.96013	0.6
98.19962	0.4
98.39658	0.2
110.03606	0.2
124.94798	0.2
135.73970	0.2
244.66878	0.2
481.81567	0.2
558.58923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
60.16132	0.2
61.98823	100.0
62.98544	0.3
69.76948	0.2
71.01384	0.7
84.14041	0.2
84.14616	0.2
85.02939	0.4
89.02442	0.4
93.09358	0.2
96.96060	0.3
101.02437	0.4
106.11191	0.2
109.02996	0.3
113.02445	0.2
119.05001	0.3
121.02962	0.2
133.02953	0.9
134.03749	0.4
135.04500	1.4
136.04845	0.3
137.02475	0.2
149.02454	0.3
150.03201	1.3
152.01208	0.2
153.09183	0.3
161.02417	2.9
162.02805	0.5
165.05563	1.3
165.49562	0.2
177.05577	0.3
179.03456	1.3
180.04004	0.3
184.18007	0.2
193.05037	0.4
195.06586	1.1
196.26988	0.2
207.06532	0.2
210.06831	0.4
211.07584	2.3
212.07970	0.3
221.04553	0.3
251.05670	0.2
269.14032	0.2
281.06769	0.2
312.76419	0.2
341.08722	0.2
342.09329	0.3
388.14755	0.2
390.15640	0.2
417.15393	0.4
429.84943	0.2
450.20758	0.6
487.18320	0.2
549.23071	1.7
582.82184	0.2
611.26782	0.3
612.14899	0.3
612.25055	0.9
613.23462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01728	0.7
61.98819	4.5
69.38727	3.1
69.39128	1.4
71.01378	1.0
89.53057	0.6
93.03442	5.5
99.32504	0.6
102.03484	0.9
104.21430	0.7
106.06640	1.5
107.05036	1.1
111.00871	1.3
119.05009	14.1
120.05303	0.9
121.02954	0.6
123.04524	3.7
131.03738	1.8
132.04503	0.8
133.03008	0.9
133.05336	1.7
134.03738	1.7
134.06125	4.8
135.04483	3.2
136.07675	1.0
144.04538	1.6
145.02899	1.9
146.06116	1.7
147.04510	1.8
148.07625	0.9
149.05997	1.4
150.05635	0.6
153.05540	3.5
157.05354	0.9
158.06114	3.2
160.04013	3.2
161.02467	1.4
161.04761	2.0
161.05988	0.8
162.05609	3.3
162.09302	0.5
163.03993	6.2
163.07625	1.9
164.04451	1.1
164.07152	1.1
166.05025	1.3
174.05583	2.4
175.06325	2.3
175.07651	0.7
176.07150	11.2
178.05072	4.1
180.06656	1.1
190.08733	6.9
193.05014	1.6
194.08188	1.7
195.06595	26.7
196.07025	1.7
197.08307	0.7
202.04968	0.6
206.04530	1.3
207.08905	0.8
208.07935	0.7
208.09773	2.2
216.06654	0.8
220.06030	0.8
222.09341	1.2
222.11162	3.0
236.09233	2.0
238.08884	0.8
248.09221	0.7
253.08852	0.9
254.11810	1.4
264.10245	2.3
267.09210	0.5
268.09692	0.7
269.04413	0.8
280.09744	0.9
281.10440	1.0
282.11462	1.4
295.08163	2.2
296.12875	8.4
297.10037	0.7
298.10703	1.7
308.09305	0.9
312.12344	1.0
314.14005	3.0
322.10852	1.1
326.09595	0.7
328.15497	1.4
337.80243	0.6
340.11847	6.1
341.12378	0.8
356.15094	1.8
358.12872	1.1
372.14468	31.9
373.14862	2.8
388.17517	0.8
390.15533	1.8
400.13889	2.6
432.16589	2.9
462.15582	1.2
476.17017	5.9
494.17792	1.4
526.21375	0.9
536.19000	1.1
568.21765	2.0
580.18176	1.0
612.20685	53.5
613.20978	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	612.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47943	0.6
55.13550	0.6
57.03455	0.8
59.01377	7.7
61.25351	0.6
61.98822	100.0
67.45882	0.6
71.01382	3.2
75.82705	0.6
83.05042	1.4
87.00868	0.9
88.98786	4.9
89.02433	3.9
97.06570	0.7
98.19764	1.5
101.02445	1.5
107.05035	1.1
113.02441	1.4
119.03528	1.0
119.05020	2.5
135.04501	0.9
155.96841	0.6
161.09674	3.2
161.13356	2.0
163.11345	0.6
171.11790	0.7
179.03529	0.7
181.89336	0.6
187.11237	6.2
189.09200	3.1
203.49869	0.6
205.12323	2.3
236.13538	0.7
249.11354	1.9
267.12338	1.0
299.11423	1.5
304.11343	0.6
396.45050	0.7
416.86392	0.6
426.41129	0.6
468.09799	0.7
483.32275	0.7
549.23334	51.6
550.23767	6.0
577.82617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93425	0.4
52.62466	0.5
57.03429	0.7
59.01372	7.3
60.99308	0.8
61.85394	0.5
61.98823	100.0
71.01369	3.7
71.61317	0.5
83.05017	1.3
85.02948	0.5
87.00873	1.5
88.98785	3.8
89.02431	3.0
101.02426	2.6
107.05041	1.7
113.02454	1.5
119.03452	1.2
119.05032	2.7
120.05829	0.7
135.04564	1.1
137.06096	0.9
137.41800	0.4
161.02480	0.7
161.09720	4.5
161.13330	2.2
163.11200	0.5
167.10991	0.5
179.10825	0.4
187.11235	4.6
189.09193	3.6
203.10759	0.5
205.12262	2.6
207.10205	0.7
249.11345	2.4
267.12546	0.9
299.11349	1.9
405.15417	0.8
450.68100	0.5
549.23346	48.6
550.23553	5.1
594.07355	0.6
607.52252	0.5
612.38080	0.7
613.28058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63795	0.7
59.01366	4.2
61.98823	98.1
62.98137	0.7
65.00313	1.3
69.28657	5.4
69.29065	1.6
71.01385	3.3
71.97279	0.7
73.02926	0.7
73.68343	0.6
78.95897	4.1
85.02963	1.5
86.91209	0.6
89.02433	1.1
96.96959	0.8
101.02438	2.4
102.81639	0.8
107.01376	1.9
108.01642	0.7
109.02911	0.8
113.02441	1.2
117.03462	1.2
120.58014	0.7
125.02433	2.1
132.02147	1.2
133.02940	21.3
134.03694	2.5
135.04504	12.8
136.04793	1.5
137.02403	1.1
148.90002	0.7
151.00354	7.8
152.00682	2.3
161.02420	98.5
162.02774	5.2
167.03442	1.3
179.03477	4.4
179.07132	0.9
189.12743	0.9
193.04955	1.5
241.01131	1.9
247.37601	0.8
287.05536	2.3
287.22372	1.8
288.05780	1.0
288.22473	2.2
323.07693	1.8
324.07880	1.6
449.27112	1.5
450.27948	2.3
549.23346	100.0
550.23621	12.6
611.32745	6.0
612.14600	7.0
612.33051	22.5
613.16223	1.8
613.33197	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	612.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00726	0.5
59.01084	0.8
59.01370	9.0
60.99305	2.8
61.98809	1.9
65.03956	0.4
67.01875	1.4
71.05016	0.6
78.95892	9.4
83.01368	2.2
90.03485	0.5
93.03441	0.7
96.96005	3.0
96.96941	1.6
98.20633	1.0
104.03547	0.6
104.05038	1.9
106.06612	1.0
107.05021	0.9
116.05067	0.8
117.84064	0.4
118.02948	0.5
118.06622	5.9
119.05013	2.6
120.04535	5.1
120.08179	0.5
122.02500	2.4
123.04541	2.6
124.04044	4.0
131.03741	1.8
132.04546	0.6
133.02983	0.5
134.06108	4.6
136.04073	0.9
136.05254	0.7
137.06061	11.4
138.06401	0.6
144.04584	0.5
145.90884	0.5
146.06102	19.9
148.03990	0.5
150.05559	1.9
151.07625	0.8
152.07109	0.9
152.99573	14.1
153.99889	1.2
160.03996	0.6
162.05588	0.7
163.06339	2.8
164.07098	1.0
166.08714	4.4
171.00624	0.6
177.04265	0.5
178.05106	1.8
178.08705	51.0
179.09041	1.5
180.06619	1.1
181.08678	31.4
182.08968	1.6
189.04227	1.2
190.05141	1.3
192.06642	7.2
194.04526	1.1
196.09726	4.3
204.06668	2.5
208.06120	1.1
210.07674	1.6
215.14478	0.9
222.07677	37.2
223.07941	1.2
224.05679	0.6
224.13658	0.4
240.08746	5.0
243.02664	1.3
293.21149	1.0
294.21478	1.3
297.99786	0.5
317.06458	1.2
342.13528	3.6
344.14993	6.8
345.15164	0.5
360.14471	1.2
370.16669	1.1
374.12427	3.6
386.12402	5.4
386.19708	0.8
387.12643	0.6
404.13431	100.0
405.13770	7.5
430.14893	0.6
451.22336	0.5
536.67072	0.5
611.28326	1.2
612.28711	11.5
612.38550	0.7
613.29547	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	612.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80679	0.8
59.01375	39.2
61.98816	4.0
64.98274	0.9
68.89456	0.8
68.89836	0.8
71.61918	0.8
78.95900	4.6
84.04548	10.1
93.03429	2.7
96.95991	2.4
100.04021	1.4
102.05618	5.1
106.04242	1.0
116.92867	1.0
120.04562	5.9
121.02946	2.6
122.02464	3.0
125.06016	1.4
126.76908	0.9
137.06081	19.3
139.11293	1.1
146.06105	1.6
151.28156	0.9
152.03514	4.4
152.07170	5.1
152.99567	1.4
161.02457	0.9
162.09227	2.3
164.03519	2.7
168.04257	1.1
169.05054	1.4
188.07068	1.1
189.04195	1.4
191.14323	1.0
194.11823	1.4
204.06717	1.0
206.08173	5.9
220.09749	1.7
222.07715	1.4
238.07198	1.4
238.10779	1.3
250.07062	2.3
257.08331	1.2
264.08640	1.2
282.09793	3.4
284.09122	1.3
340.39713	0.9
344.18427	1.1
346.16583	5.7
402.15524	100.0
403.15900	9.3
506.41739	1.0
536.25861	1.3
568.29071	12.5
569.28906	1.8
612.32446	1.4
613.36163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.4
61.98822	13.3
63.02387	1.1
69.40818	3.4
75.00882	0.5
87.00895	0.4
107.01366	0.9
109.02973	0.5
113.02470	0.6
117.03471	2.0
133.02924	0.8
135.04520	0.8
145.27402	0.4
149.02448	1.0
149.38869	0.4
151.00334	1.0
153.05559	0.5
159.21400	0.4
161.02422	1.2
171.04485	0.4
173.38556	0.5
182.87457	0.4
211.03937	0.6
225.05467	0.8
239.03500	0.8
239.84129	0.4
240.04269	1.3
268.03720	24.0
269.04498	100.0
270.04858	5.7
311.05634	0.7
413.08505	0.8
455.56601	0.5
577.15521	72.3
578.15985	9.4
613.21027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.12207	1.4
61.98825	12.2
67.58710	1.4
70.89880	2.6
71.01360	1.6
85.21622	1.3
89.69769	1.6
94.99049	2.3
105.16444	1.4
115.70676	1.3
133.02979	1.9
135.04518	2.4
137.56830	1.4
145.03024	1.6
149.87534	1.3
180.59402	1.6
183.10158	2.6
209.30734	1.3
269.04404	2.0
285.03876	4.7
288.88324	1.4
391.09241	2.3
393.06113	1.6
553.13995	1.9
613.19128	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	613.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24197	0.6
55.21813	0.6
57.60441	0.5
59.01374	6.6
61.98822	25.2
71.01381	5.6
71.62530	0.6
72.99283	1.1
73.02946	1.3
74.40620	0.5
80.91660	0.7
85.02950	1.0
88.98798	2.8
89.02435	7.0
93.03408	0.8
96.95982	0.8
99.00873	2.8
100.13683	0.6
101.02441	3.0
107.05024	1.6
113.02448	1.2
117.03452	2.2
119.03490	0.7
119.04984	0.7
123.04498	1.2
131.03627	0.7
132.02197	1.1
133.02948	18.8
134.03751	12.1
135.04512	100.0
136.04834	2.6
137.02419	0.9
149.02460	0.6
149.04488	0.8
149.06081	1.0
150.03110	0.7
151.00340	1.6
153.01924	1.7
153.22882	0.6
155.10793	3.3
160.01572	1.0
161.02428	56.7
162.02802	1.8
167.03432	1.3
173.04503	0.6
175.03978	1.8
179.03476	63.3
180.03883	1.9
190.06723	0.6
193.05026	7.3
195.06595	0.7
199.09769	1.1
203.28674	0.7
250.39923	0.7
287.05435	0.6
370.47754	0.6
404.73065	0.6
425.99588	0.7
429.14459	0.8
550.23553	2.3
577.19159	97.0
578.19507	11.7
613.25427	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	613.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89859	0.6
60.53751	0.6
60.74368	0.7
60.99300	16.3
70.40484	0.6
70.99861	0.7
87.00850	0.8
88.98795	100.0
89.02425	1.6
89.99115	0.9
91.61481	0.7
101.02377	0.8
118.78678	0.8
146.25441	0.7
166.19965	0.7
193.05034	0.9
259.83969	0.7
291.08710	1.8
322.98749	0.7
346.54434	0.7
361.12534	0.8
385.67230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43808	0.9
59.01363	2.0
66.86350	1.0
67.01877	4.5
71.01387	2.7
71.61129	1.3
71.61526	1.2
76.04054	0.9
85.02942	1.1
89.02519	1.0
93.03445	24.6
93.03998	1.8
101.05417	2.0
101.06064	25.6
111.00880	1.8
111.04508	5.6
119.05000	2.9
137.02431	5.4
142.84685	0.9
155.03490	3.6
163.04002	3.9
173.04532	100.0
174.04849	2.5
190.93106	1.0
191.05595	10.8
197.00290	1.0
207.93231	0.9
275.11328	48.2
276.11630	3.6
298.87915	1.1
337.09235	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	613.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	3.2
59.01092	4.4
59.01374	71.2
61.98821	29.9
70.39346	3.0
71.01373	65.6
71.62325	3.3
72.99294	10.4
75.00849	24.8
85.02948	12.4
87.00872	4.4
89.02434	100.0
95.01402	5.3
96.96013	5.9
101.02437	32.4
109.02927	5.0
113.02445	29.9
113.41551	3.0
119.02729	4.3
119.03491	43.6
121.02971	6.8
123.04452	3.2
126.71264	2.8
131.03487	3.2
135.04530	4.1
137.09547	3.5
143.03436	11.6
145.02921	3.4
149.02376	2.9
150.03099	3.1
153.01852	3.0
155.10713	3.8
161.02473	4.1
161.04533	14.4
165.05557	5.0
167.97006	2.8
173.04559	5.0
179.03329	2.8
179.05605	42.2
193.04987	2.7
209.04710	3.5
239.07112	8.7
251.07101	5.8
266.05905	4.5
267.06580	32.9
277.04843	4.7
279.06622	6.1
281.08301	2.7
295.06073	91.1
295.09424	5.4
296.06290	5.6
309.07468	5.0
310.08450	68.2
311.08878	3.2
325.07104	6.4
325.10715	57.6
340.09393	3.8
355.11633	3.1
373.12857	87.4
373.17560	5.2
374.13052	8.3
495.71320	3.1
505.17813	3.2
535.18292	7.5
613.18341	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	613.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37440	2.0
55.65300	2.0
57.03461	1.9
59.01089	3.6
59.01371	37.9
62.01838	2.0
66.69357	2.2
71.01369	27.0
71.60783	2.5
72.99298	7.2
73.02946	3.7
80.37177	2.2
83.01363	2.6
85.02941	7.3
87.00885	6.4
89.02433	22.2
89.08046	2.2
95.01365	4.5
96.95998	4.4
101.02426	18.6
107.04987	3.7
108.02151	6.3
109.02922	5.0
113.02457	11.2
119.03485	8.4
119.05013	7.3
123.04509	25.7
133.03011	2.5
134.03720	3.5
135.04520	3.1
143.03497	2.8
149.02399	4.6
150.03210	39.6
151.03986	100.0
152.04344	2.4
153.05519	3.2
156.24403	2.1
161.04541	4.1
167.03493	2.1
175.03911	2.7
179.05658	3.8
193.04991	3.0
209.04527	2.6
239.05598	2.4
247.57423	2.1
253.08670	6.5
299.11292	7.6
313.09250	62.3
313.12842	3.9
314.09860	3.9
315.10812	4.9
403.09201	3.2
433.14908	21.3
595.19214	2.7
613.21332	58.9
614.21350	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	613.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23108	0.7
54.23646	0.6
55.01860	2.3
57.03437	4.8
58.00586	1.5
59.01372	31.5
61.98818	3.4
69.03442	6.0
71.01373	23.9
71.38956	0.7
72.99300	48.2
73.02943	7.5
78.95896	47.7
81.03445	1.1
83.01376	2.1
85.02942	8.8
87.00877	3.3
89.02434	29.9
93.03435	0.9
95.01355	1.8
96.96951	9.3
97.02939	2.0
99.00880	10.0
101.02435	18.2
109.02940	0.7
111.00819	1.0
113.02440	14.2
115.03979	0.7
117.03466	1.1
119.03491	5.5
119.04985	1.0
121.02925	1.7
121.06552	0.7
122.03720	2.2
123.04519	7.6
125.02427	2.7
129.01981	1.6
131.03502	3.3
133.02940	1.3
134.03716	2.6
135.04509	50.4
136.04860	1.8
137.02434	0.7
138.97964	1.0
139.11215	4.4
143.03497	1.3
145.02905	1.8
149.02432	2.0
149.04532	2.5
149.06059	1.9
150.03221	5.7
151.00403	1.3
151.04076	0.7
153.05554	7.5
153.09233	0.9
160.01651	0.8
161.02409	2.4
161.04506	0.9
163.03937	0.9
165.05554	7.4
166.02710	1.6
173.04526	2.5
175.04047	1.1
179.03453	1.9
179.05608	1.8
179.07106	0.9
181.05093	1.6
183.10229	7.3
189.05701	0.8
191.03754	0.6
191.05579	3.1
193.05035	2.5
195.06610	3.5
205.05127	1.2
209.04431	0.9
211.07602	0.7
220.07230	0.7
221.08133	1.3
223.06158	1.0
241.01140	1.6
258.22394	0.6
265.07159	1.0
297.09756	1.6
315.10812	29.2
316.11234	1.2
342.22501	0.7
345.21915	0.8
357.11819	1.9
370.08817	1.1
387.14304	0.8
407.15570	2.4
417.15613	1.1
429.13965	52.7
430.14313	3.7
447.15002	100.0
448.15387	8.4
554.28430	0.7
565.20520	2.4
613.16644	12.9
613.25153	24.0
614.16559	1.4
614.25562	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	613.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83271	0.1
59.01368	0.3
61.98818	0.4
71.01353	0.2
78.95894	1.9
79.36827	0.2
79.95733	3.2
88.47340	0.2
96.96001	100.0
96.96878	3.0
97.59925	0.1
97.95911	0.3
98.95582	2.4
98.96403	0.4
101.02402	0.2
104.59628	0.2
135.04448	0.2
151.04001	0.2
168.69258	0.2
193.05254	0.2
265.01181	0.2
285.04129	0.2
340.40775	0.1
613.25244	0.6
613.39789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2986
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
57.03423	0.5
59.01373	3.4
61.98824	3.0
69.57964	0.6
71.01374	1.4
71.62169	0.5
74.96125	0.5
78.95895	56.3
79.95747	1.2
82.95405	1.7
83.01384	1.1
85.02953	0.7
89.02423	0.7
89.77382	0.5
96.96001	31.3
96.96922	9.5
113.09663	0.6
118.06612	0.6
120.04559	0.7
134.03824	0.5
134.06076	0.7
137.06094	1.3
141.25951	0.6
146.06108	2.7
147.11780	0.6
150.98042	1.4
152.99570	100.0
153.99898	0.9
161.02419	0.7
166.08788	0.8
171.00708	3.0
178.08717	6.5
183.10243	5.4
195.13882	7.0
204.06767	0.9
222.07692	4.2
225.01707	3.9
240.08792	0.6
243.02689	7.3
256.68549	0.6
277.21747	6.5
295.22742	19.9
296.23178	2.0
306.13611	0.5
317.06363	10.4
319.24341	1.7
345.22147	1.2
346.16504	1.2
363.23212	2.3
389.21564	0.6
404.08353	1.2
404.13452	13.1
404.18774	0.9
407.22141	0.8
449.22714	3.0
451.21295	2.0
453.05698	0.6
613.29840	84.4
614.30164	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	614.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79466	1.2
59.01373	12.5
60.99295	3.9
61.66715	1.5
61.98820	12.2
66.43658	1.2
67.66724	1.2
71.01369	2.5
78.95891	14.4
83.01382	4.2
96.96004	11.3
96.96963	2.6
104.05074	1.8
111.60571	1.4
118.06612	4.4
119.05009	2.3
120.04550	4.2
121.02947	1.6
122.02454	2.0
122.99260	1.3
123.04477	2.5
124.04038	4.6
131.03798	1.7
133.02927	1.9
134.06096	3.6
137.06088	13.7
144.72223	1.3
146.06119	19.9
152.99553	18.4
153.99893	2.3
160.04008	2.3
163.06357	3.6
163.11362	1.4
166.08678	4.1
178.05200	1.9
178.08711	53.1
183.10237	39.8
183.11823	3.1
189.04358	1.5
190.05099	1.9
192.06631	5.5
195.13910	2.0
196.09776	3.6
204.06557	2.7
210.07768	2.4
222.07666	36.4
240.08643	5.9
241.31068	1.5
243.02617	2.0
251.26549	1.5
296.23184	2.3
321.35464	1.5
321.95874	1.6
342.13522	3.4
346.16537	7.0
360.14401	1.6
372.18311	2.3
374.12347	4.4
376.70267	1.4
386.12436	7.5
404.13455	100.0
405.13797	8.6
408.22534	1.9
614.30359	19.1
615.30096	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	614.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96176	0.1
61.98812	0.1
63.61066	0.1
71.61095	0.1
76.89220	0.1
78.95888	1.1
79.95728	3.0
96.96001	100.0
97.09819	0.1
97.95938	0.2
152.99529	0.1
161.02451	0.1
258.77673	0.1
276.53610	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	614.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.2
69.41868	0.9
71.56168	0.1
78.95894	1.2
79.95729	2.6
80.36922	0.1
96.95999	100.0
97.95941	0.3
110.97569	0.5
152.99643	0.1
225.33440	0.1
250.51898	0.1
259.29370	0.1
323.66721	0.1
344.84604	0.1
384.54688	0.1
388.95926	0.1
614.29553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56455	1.4
55.03461	1.2
59.01374	25.6
71.01376	14.8
71.60839	1.5
78.95861	3.2
85.02959	4.7
89.02436	16.2
93.03450	16.8
96.95943	2.1
96.96941	1.9
101.02446	10.8
107.05033	2.6
113.02440	9.0
113.83007	1.5
119.03496	5.9
135.04518	5.2
136.01599	3.2
137.02438	41.5
149.02414	1.8
151.03992	4.9
153.05652	1.6
171.67232	1.6
179.03481	18.4
202.37357	1.5
209.04488	2.0
231.71657	1.6
239.05475	7.6
299.07687	100.0
300.08047	6.0
304.87085	1.5
315.10815	15.9
326.07803	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	615.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71502	1.1
57.03425	3.4
59.01096	2.6
59.01373	43.5
61.98824	3.1
65.99842	7.6
69.74538	7.6
71.01370	2.4
73.02934	2.3
81.02206	1.8
81.03436	3.8
82.06598	3.0
84.08205	1.4
85.02933	12.2
93.03425	1.9
93.23671	1.3
95.05002	2.8
96.95980	4.2
98.19813	1.3
103.54704	1.1
108.04523	7.0
112.98518	1.8
113.06122	1.8
119.05001	3.5
122.04806	2.2
122.91356	1.2
123.05623	5.8
124.04073	1.6
125.09644	1.2
127.04018	4.6
130.08716	10.9
133.02843	1.1
134.06044	3.0
135.04494	2.2
136.06401	2.0
137.02386	1.7
137.06067	19.2
138.04347	2.6
138.05493	1.6
138.09227	21.8
139.03993	1.6
139.09543	1.7
143.03534	2.6
149.03551	1.6
151.03990	3.4
151.05118	3.1
152.03520	25.4
156.06660	8.9
160.03926	1.6
162.05589	2.9
164.10725	1.4
165.05563	1.6
165.10226	1.3
167.11842	2.0
169.13403	1.5
176.07156	2.1
178.05080	15.4
179.03352	1.5
186.05591	1.5
188.07152	1.3
192.06667	4.4
192.08986	12.8
193.04990	1.5
193.09482	1.6
193.13409	8.9
194.08122	3.4
195.11346	5.4
200.07156	2.6
202.08675	2.2
205.09686	3.9
213.12411	4.4
215.34674	1.3
217.00169	1.5
218.08170	2.5
220.06113	1.6
220.12155	3.3
221.12912	77.1
222.13231	4.1
223.10841	7.0
228.06654	2.8
229.13516	1.6
235.07111	6.7
245.12845	3.2
246.07545	1.4
247.14458	5.6
253.15491	4.5
265.11804	4.2
273.12363	8.6
291.13342	3.5
297.14508	25.4
299.13934	1.8
305.15051	3.9
313.15491	2.4
315.17130	2.9
317.10553	1.5
331.16748	3.3
341.15030	2.3
349.14023	42.7
350.14374	2.8
359.15866	2.0
375.15527	14.4
385.13828	2.8
391.18817	2.2
411.19177	17.1
417.16739	1.9
477.18835	3.5
479.21652	1.5
487.20422	1.4
511.24216	1.7
523.21112	1.7
555.23224	7.1
556.23529	2.0
615.25458	100.0
616.25806	13.9
632.90771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69048	1.3
56.96198	1.1
57.03425	1.6
58.00586	1.3
58.11116	1.1
59.01371	100.0
61.98810	2.9
65.37910	1.2
65.90508	1.4
69.03442	2.6
70.51534	3.0
71.01374	40.1
71.93707	1.7
72.99313	2.7
73.02936	18.9
73.53037	1.2
75.10865	1.2
76.42130	1.3
83.01369	6.3
85.02948	11.6
87.00862	4.4
89.02451	7.5
91.03973	2.4
95.01365	3.5
96.96001	3.0
97.02943	4.0
99.00887	2.9
101.02428	18.6
113.02420	16.5
119.03452	2.5
124.01622	3.7
125.02407	5.7
135.04482	2.0
143.03514	3.4
148.15132	1.3
160.49225	1.3
161.04503	2.2
186.62277	1.2
203.05716	1.9
275.20093	20.2
276.20505	1.6
289.21625	3.1
293.21204	9.4
317.21033	4.8
419.24323	1.7
437.25378	66.6
438.25803	5.5
455.26556	10.7
479.26398	70.7
480.26639	8.5
497.27499	22.7
498.27673	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	615.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98811	1.3
55.01878	1.2
57.03447	2.1
59.01374	57.5
61.98824	100.0
67.03782	1.2
69.03448	2.1
69.15617	1.1
69.28035	11.5
71.01376	23.0
73.02943	10.9
74.85237	1.1
83.01389	5.7
85.02943	8.3
85.97318	1.2
87.00836	3.0
89.02427	5.7
94.39201	1.5
96.96024	1.9
98.19813	2.2
101.02422	9.5
113.02454	9.8
124.01611	2.2
125.02406	4.9
134.91078	1.2
135.04489	1.5
143.03477	2.3
161.02408	3.5
179.03503	1.4
203.05606	1.8
229.39908	1.2
275.20093	11.4
289.21698	1.8
293.21091	6.9
317.21173	2.5
419.23798	1.7
432.14905	3.8
437.25397	42.2
438.25525	4.4
455.26523	7.5
479.26419	39.7
480.26883	5.3
497.27414	12.5
498.27606	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	615.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87963	5.9
59.01363	40.4
61.98814	10.2
68.75065	5.9
71.01363	32.3
78.95874	11.1
87.00832	7.1
89.02419	52.7
98.19833	14.0
101.02420	20.7
113.02443	9.9
119.03477	16.5
143.03481	9.8
152.99544	16.4
179.05579	31.7
215.03250	14.3
255.23247	100.0
275.32797	6.9
287.22131	11.8
323.09735	40.2
341.10898	65.0
422.81030	6.7
579.33722	76.6
579.42181	10.2
580.33923	13.8
615.20850	12.4
615.31061	60.5
616.30957	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	616.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.4
66.09338	0.1
78.95895	1.0
79.95727	2.8
96.95999	100.0
97.95949	0.2
103.12599	0.2
113.02338	0.2
117.03457	0.3
145.02959	1.0
152.99565	0.5
229.64828	0.2
264.86191	0.2
267.02521	0.1
343.85638	0.2
392.41064	0.2
454.82727	0.2
615.37256	0.3
616.37170	1.6
617.38000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70343	0.1
61.98845	0.5
71.12209	0.1
78.28794	0.1
78.95889	1.4
79.95728	2.7
83.38775	0.1
88.98810	0.1
90.00918	0.1
96.95998	100.0
97.95916	0.2
101.24451	0.1
115.00350	0.1
142.99899	0.3
145.80984	0.1
152.99548	0.2
262.52487	0.1
451.11890	0.1
626.09528	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	617.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	23.1
67.01884	3.3
68.99807	9.5
70.48879	0.6
71.01377	2.7
83.01345	0.9
85.02927	5.2
89.02435	3.3
91.05519	0.8
93.03419	4.4
95.01395	1.8
95.70528	0.6
99.04492	1.5
101.02431	27.6
102.97453	0.6
107.05025	0.9
108.02230	0.6
111.00868	12.7
111.04497	2.4
113.02430	1.1
119.03503	2.1
119.05003	7.2
121.02946	4.4
125.02433	2.2
125.06058	1.3
127.04006	13.6
127.04939	1.0
135.04503	3.4
137.02393	2.9
137.06071	4.0
138.99634	0.5
139.00386	6.5
143.03481	1.9
145.02940	0.6
151.03952	1.3
151.07631	15.5
153.01884	2.8
153.05515	1.6
161.02406	2.6
161.04558	0.8
163.04025	3.5
171.02945	4.4
177.05589	1.0
179.01866	0.7
179.03461	15.2
179.05516	2.5
179.06970	0.8
189.01955	3.4
195.06592	13.4
197.04434	0.6
207.03029	1.2
221.04486	2.5
239.05586	2.4
257.08151	5.7
258.08182	0.8
275.09241	3.0
281.06760	0.9
291.08701	100.0
292.09027	7.5
315.12335	26.5
316.12582	1.4
317.10251	30.9
318.10681	3.1
327.08734	2.1
328.09174	0.7
352.71091	0.6
359.11295	23.5
360.11731	1.8
404.72705	0.7
419.13403	42.2
420.13745	4.1
521.16644	1.2
574.09235	0.7
581.18750	7.9
582.18909	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.0
61.98824	1.8
69.03458	0.9
70.93619	1.2
71.01379	4.8
71.30112	0.5
73.02941	1.4
82.95415	0.6
83.01402	0.9
85.02952	1.5
89.02425	2.7
89.03970	1.6
95.01403	0.5
96.95999	0.8
97.02932	1.0
99.00867	1.1
101.02431	2.1
105.01959	0.5
111.00954	0.5
113.02422	2.2
117.03455	18.5
119.05017	3.5
121.02896	0.4
125.02441	3.0
132.02165	3.6
133.02914	1.4
134.03726	86.3
135.04146	2.4
139.03987	1.1
143.05067	0.5
145.02940	48.2
146.03264	1.8
147.04506	14.0
149.04356	0.4
149.04816	0.7
149.06061	9.3
160.01649	15.3
161.02277	1.8
161.04623	0.4
161.06046	0.9
163.03928	3.0
175.03984	14.8
178.02715	0.9
179.03436	1.0
179.07065	0.7
187.03918	0.6
193.05029	100.0
194.05356	3.8
199.75256	0.5
203.05492	0.6
205.05034	0.9
206.05701	0.8
221.08156	1.1
223.06097	3.2
231.06816	0.4
235.06039	4.7
265.07159	6.4
286.03787	0.4
307.08560	0.5
312.01917	0.4
325.09302	3.2
327.05215	0.6
336.63812	0.5
367.10065	3.5
397.11230	0.6
469.13431	29.0
470.13660	2.8
579.28021	0.8
617.21838	7.6
617.40021	1.9
618.22162	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03433	1.0
59.01373	29.2
61.98814	1.1
65.99834	9.4
66.00156	0.8
66.03491	1.0
67.01888	1.0
68.01383	0.6
69.03449	1.9
70.74998	0.6
71.01368	2.4
73.02943	1.7
81.02204	1.4
81.03458	1.3
83.01369	0.8
83.04494	0.7
83.05010	1.5
84.08190	1.2
85.02939	5.6
89.02444	1.4
93.03453	6.0
94.02980	3.1
95.05014	3.5
96.04025	0.7
96.04524	3.7
97.04041	0.8
98.02476	1.6
99.04506	1.1
101.02436	2.2
106.06622	1.0
107.05017	1.2
108.03262	1.0
109.04046	5.1
111.00868	2.3
111.04497	6.1
111.61672	0.6
113.02448	1.1
116.04987	0.7
118.06599	0.8
119.05011	0.8
120.04558	2.6
121.02987	1.2
121.06622	0.9
122.02496	0.9
122.04852	1.5
122.06084	1.0
123.04482	3.6
124.04018	2.3
127.04023	1.4
130.08736	4.0
134.06084	0.8
135.04517	1.3
135.05574	0.9
137.02422	4.5
137.03542	3.5
137.06052	1.4
138.05626	2.1
138.09227	23.9
139.04004	1.0
144.04613	1.0
146.06078	1.5
148.03995	1.6
148.06476	0.8
148.07643	0.6
149.04582	1.0
151.04005	1.5
151.08788	0.6
152.03500	6.8
153.05542	4.5
153.10312	1.5
154.05104	0.8
155.11873	4.8
156.06607	1.2
158.06055	1.0
159.03342	0.7
160.00754	0.7
160.04054	1.2
160.07687	2.1
161.04721	0.7
162.04378	0.9
162.05600	0.7
163.05110	1.9
163.07645	1.6
164.10773	1.5
165.05537	0.9
165.10280	1.3
166.05038	0.7
167.95844	0.7
169.06151	1.9
170.96823	0.6
173.04857	1.1
174.05577	1.6
176.07166	3.8
178.05070	7.4
178.08534	0.7
179.03481	0.7
179.05540	1.2
179.07024	0.8
179.11871	9.1
180.05118	0.6
180.06633	2.7
181.09868	0.9
186.05594	1.3
188.03474	0.7
188.07135	5.4
189.06532	1.0
190.08733	5.7
192.08972	9.9
195.06621	2.6
199.10815	5.7
202.05046	0.8
204.06749	0.8
205.09761	1.6
205.13373	2.4
206.10550	5.7
207.11348	84.4
208.11630	2.4
214.05031	0.8
218.10617	3.9
219.11339	0.9
220.09760	1.6
221.05621	5.9
231.11278	1.1
233.12891	14.7
239.13928	3.2
242.33618	0.6
246.07721	1.1
251.10222	4.0
257.12805	0.9
259.10831	3.4
265.15417	1.5
273.07611	6.5
273.16013	1.6
277.11908	8.7
283.12946	24.7
284.13257	1.1
285.12491	1.7
287.21899	0.6
289.08191	0.9
290.06674	0.9
291.13446	3.3
299.14047	0.7
301.15414	2.9
303.17255	1.6
315.08673	1.6
317.14951	1.0
333.18054	1.5
335.12454	2.2
345.14471	1.4
347.16138	0.9
361.13974	2.3
368.11096	0.7
377.16934	1.5
413.17087	11.8
421.15988	1.4
481.18375	3.7
489.18768	2.1
513.22302	1.1
525.18762	0.8
527.19904	1.0
557.20990	2.1
617.23389	100.0
618.23669	15.1
618.39575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38396	2.5
55.38943	2.0
59.01376	20.4
61.98818	8.9
67.01874	4.5
68.99802	16.0
69.03448	8.4
69.63096	11.3
69.63506	5.4
71.01372	9.1
73.02964	2.5
78.95920	3.1
83.05013	4.6
85.02937	4.7
89.02428	4.9
93.03442	9.3
94.98075	2.2
95.01395	2.3
95.05038	4.9
96.95996	19.7
99.04513	3.0
101.02419	35.7
102.02737	2.8
111.00841	11.5
113.02431	5.0
119.03518	3.4
121.02941	7.9
127.04000	9.2
133.02928	4.4
135.04491	7.7
135.11819	18.2
136.12050	2.7
137.02437	14.3
137.06090	3.7
139.00381	3.2
139.04033	3.5
143.04660	2.5
147.04507	3.5
161.02463	14.5
163.03996	2.8
167.64330	2.4
171.03043	2.4
179.03435	3.3
179.10744	100.0
180.11124	15.5
181.05061	3.3
192.74019	2.2
207.10190	2.3
213.07695	6.4
220.06206	3.1
223.09711	14.9
224.10004	4.8
225.11346	4.2
227.06802	2.8
234.07683	3.8
243.12328	3.6
252.06993	2.5
259.09735	13.3
261.10068	2.1
291.08759	31.5
361.12924	5.1
364.41299	2.2
373.66483	2.4
374.17270	4.0
617.30182	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	617.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98818	5.3
67.63405	2.9
71.01394	3.9
75.00854	5.2
85.02940	3.1
96.96008	4.6
101.02413	4.9
103.00342	6.3
103.03957	3.3
130.08727	4.6
161.04576	2.9
174.52589	3.0
176.07086	3.9
213.14909	5.1
262.29678	2.6
391.34045	3.1
497.30823	5.8
570.42902	3.2
617.30957	67.7
618.31036	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	617.3839
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
54.68196	0.4
61.98816	1.0
64.15255	0.4
69.48832	3.3
78.48263	0.5
80.10189	0.4
90.97408	0.5
94.92548	0.5
117.03456	15.0
118.03734	0.6
119.05022	3.6
121.02927	1.1
129.65884	0.4
145.02933	53.4
146.03270	1.8
151.04028	1.2
161.02386	0.6
162.03215	3.1
163.03970	1.9
180.04259	6.0
195.06587	11.0
195.08290	0.9
250.77472	0.4
429.38397	0.5
438.24103	0.6
453.33575	0.7
573.38708	0.9
614.48846	0.6
617.38379	100.0
618.38739	15.6
645.60016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	0.3
59.01373	4.4
61.98822	100.0
67.01885	0.2
68.99813	0.7
69.03438	0.3
69.28564	1.7
71.01375	2.3
71.21297	0.2
82.02369	0.2
83.05030	0.4
83.96940	0.2
85.02945	0.6
89.02430	3.5
93.03443	3.2
94.29433	0.2
95.01385	0.4
96.96001	0.4
100.59885	0.2
101.02430	2.8
107.05040	0.2
109.03004	0.3
111.00871	1.9
111.04505	3.2
113.02407	1.3
119.03473	1.3
119.04999	1.0
121.02962	0.4
127.03998	0.5
135.04518	0.6
137.02425	2.4
137.06062	0.7
139.00369	1.0
143.03532	0.3
149.02429	0.4
151.04045	0.3
153.05598	0.2
161.02451	0.6
161.04517	0.3
163.04039	1.0
165.01903	0.5
177.05588	0.3
179.03487	0.7
179.05594	0.9
181.05035	1.6
182.37096	0.2
195.06564	0.3
207.03012	0.3
213.07713	0.5
239.05534	0.9
247.21777	0.2
273.07648	7.2
274.08084	0.2
275.05627	0.8
291.08649	0.4
307.08188	2.6
308.08670	0.2
316.40228	0.2
317.10199	0.3
343.08194	0.7
347.11459	0.3
357.09808	0.6
361.09146	1.4
375.10614	1.1
393.11829	7.0
394.12225	0.7
419.11887	1.8
427.64844	0.2
469.13379	0.3
509.73901	0.2
555.17090	11.7
556.17358	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	618.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84622	0.1
55.56142	0.1
59.01370	0.7
61.78888	0.1
61.98822	100.0
62.98549	0.3
63.42193	0.2
71.01384	0.4
76.60124	0.1
85.02931	0.2
88.98820	0.3
89.02460	0.3
93.03502	0.3
96.96008	1.1
98.19904	0.3
101.02457	0.4
103.41418	0.2
113.02438	0.2
121.02973	0.2
122.48495	0.2
133.02975	1.1
134.03786	1.5
135.04517	5.4
136.04819	1.7
137.02454	0.2
151.03993	0.2
161.02417	2.8
161.03702	0.2
162.02806	0.5
175.04024	0.4
179.03481	3.0
180.03812	1.1
188.00529	0.1
193.05034	1.3
194.05437	0.2
285.04099	0.2
297.08142	0.2
555.20636	1.0
611.20758	0.2
617.24951	0.2
618.24628	4.1
619.24725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84622	0.1
55.56142	0.1
59.01370	0.7
61.78888	0.1
61.98822	100.0
62.98549	0.3
63.42193	0.2
71.01384	0.4
76.60124	0.1
85.02931	0.2
88.98820	0.3
89.02460	0.3
93.03502	0.3
96.96008	1.1
98.19904	0.3
101.02457	0.4
103.41418	0.2
113.02438	0.2
121.02973	0.2
122.48495	0.2
133.02975	1.1
134.03786	1.5
135.04517	5.4
136.04819	1.7
137.02454	0.2
151.03993	0.2
161.02417	2.8
161.03702	0.2
162.02806	0.5
175.04024	0.4
179.03481	3.0
180.03812	1.1
188.00529	0.1
193.05034	1.3
194.05437	0.2
285.04099	0.2
297.08142	0.2
555.20636	1.0
611.20758	0.2
617.24951	0.2
618.24628	4.1
619.24725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
61.98810	0.4
65.95078	0.2
71.01357	0.5
71.61511	0.3
73.92099	0.2
77.64426	0.2
78.95898	2.1
79.95733	3.2
89.02444	0.3
90.42178	0.2
91.02647	0.2
92.83044	0.2
93.03423	0.3
96.96003	100.0
96.96883	3.3
113.02458	0.3
119.05027	0.8
123.04522	0.4
133.02957	0.4
134.03683	0.2
135.04492	0.6
135.05592	0.2
137.02426	0.2
137.06093	0.4
145.02950	0.3
147.04428	0.2
149.02383	0.4
150.03133	0.2
161.02414	1.3
161.06070	0.2
163.04015	0.4
164.04741	0.4
165.05553	0.4
167.03519	1.1
179.03497	0.4
205.04994	0.3
221.23697	0.2
223.06100	0.8
263.45697	0.2
323.07669	0.4
583.16656	0.4
619.17609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06730	0.1
57.03427	0.2
59.01373	1.7
61.98826	0.3
71.01372	1.7
73.02905	0.2
78.95896	0.2
81.09812	0.1
83.01394	0.1
85.02937	2.2
88.98788	0.4
89.02430	0.6
89.03963	0.1
89.99383	0.1
93.03465	0.2
95.01385	0.6
95.05000	0.2
96.95994	0.6
98.20621	0.3
101.02438	0.3
107.05005	0.9
108.02114	0.2
109.02936	0.4
113.02439	2.6
117.03463	0.6
119.05016	1.0
123.04507	0.2
132.02168	0.4
133.02942	6.2
134.03745	2.9
135.04504	59.0
136.04836	1.9
137.02402	0.3
143.03438	0.3
145.02859	0.1
149.02510	0.1
149.06155	0.3
153.09128	0.1
159.04533	0.1
161.02417	14.6
162.02769	0.5
163.03961	1.3
165.05482	0.2
175.04031	0.3
177.05472	0.3
179.03467	100.0
180.03804	3.2
193.05234	0.2
203.03461	0.5
203.12758	0.1
205.05067	0.2
211.07556	0.3
215.72853	0.1
217.05080	0.2
233.04449	0.3
245.04463	0.6
251.05537	0.2
268.03745	0.4
269.04489	1.6
323.07501	0.2
325.09167	0.2
487.14465	6.0
488.14807	0.7
531.14838	0.4
559.16339	0.3
619.15820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
59.83517	0.3
60.01709	0.7
61.23767	0.3
69.03449	0.6
70.56689	1.2
71.01389	1.1
72.99314	0.4
85.02930	0.4
90.58175	0.3
90.91692	0.4
101.02421	0.9
105.01925	0.9
106.04247	0.8
106.06603	0.5
107.92591	0.3
116.05048	27.6
117.05401	1.0
119.05022	1.5
124.04016	0.9
130.06641	1.0
132.04526	0.4
133.02968	0.4
134.06165	0.6
137.06068	10.9
140.05042	0.5
141.04593	0.5
142.06602	21.0
143.06044	0.6
143.07030	0.6
144.04552	0.8
146.06082	0.5
147.04497	0.8
149.06039	1.0
150.05453	0.4
154.05315	1.6
156.06810	0.4
156.08250	0.6
157.05244	0.7
157.07713	1.4
158.06102	1.6
159.09261	0.5
160.04051	1.0
161.04597	0.9
162.05600	1.4
163.07643	0.8
164.03510	0.5
164.04764	0.4
164.07162	1.0
165.05550	0.7
166.05089	1.2
166.06599	1.5
167.06139	0.6
168.04472	0.4
174.05611	1.7
175.06303	0.5
176.07127	4.6
178.05037	2.4
179.07129	0.7
182.06125	0.6
183.06934	0.9
184.07709	0.5
186.05614	0.6
190.08694	2.2
191.05966	0.6
192.06580	1.6
194.08209	0.6
198.09274	2.6
202.05003	0.5
203.08299	0.6
204.06589	0.6
206.04610	0.5
206.08186	1.1
208.09712	1.4
210.74118	0.4
216.06540	2.0
220.06110	1.6
226.08731	1.5
231.09235	0.5
232.09677	0.5
234.07635	1.3
243.09192	1.0
244.07671	0.5
245.07033	0.4
245.10701	0.6
247.08687	0.4
248.09274	1.6
252.08655	0.4
253.09764	0.6
259.08664	1.1
261.10321	1.4
262.07043	0.5
266.10239	1.0
271.08789	3.2
272.13644	0.4
276.09015	1.1
277.09674	0.6
280.08270	0.6
287.11923	0.9
288.08994	0.8
289.09781	1.6
290.09860	0.3
291.11362	1.3
303.11368	6.6
304.11795	1.0
305.12808	0.8
308.11398	3.7
313.10245	0.7
319.14496	1.2
320.11621	1.1
321.12405	4.1
335.13931	5.2
336.14267	0.4
337.15598	0.6
338.11499	0.4
345.12381	1.8
353.15112	1.1
363.13510	5.0
364.13538	0.4
377.14957	0.8
378.14798	0.4
381.14304	1.0
395.16034	96.7
396.16373	9.8
396.21616	0.5
413.17184	1.0
423.15451	0.9
437.16675	0.4
437.64047	0.4
455.18369	1.2
457.72363	0.4
479.66638	0.4
483.18918	0.5
490.17032	0.5
501.20206	1.2
568.31573	0.4
619.22601	8.5
620.23486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61304	0.6
55.01859	0.9
56.80894	0.5
57.78211	0.6
59.01373	47.5
60.99300	0.8
61.98816	2.8
67.01881	0.9
69.61813	3.5
70.85614	0.6
71.01364	4.7
71.24621	0.7
73.02918	0.8
81.03432	0.7
82.95388	1.3
84.95083	1.1
85.02922	0.9
87.00870	1.0
88.04036	12.0
88.98783	2.6
89.02429	1.4
93.03445	4.1
96.04513	0.8
96.96011	1.5
97.06584	16.3
101.02429	1.2
102.05549	0.8
107.05002	1.8
107.37717	0.6
113.02453	0.8
114.01951	15.7
120.04556	1.2
121.02898	1.4
123.04520	3.4
124.04005	1.3
125.06075	0.7
126.04397	0.7
128.03491	2.9
130.08713	1.7
133.02943	1.0
134.03746	3.6
135.04507	4.1
137.02405	1.8
138.05531	1.2
139.08708	2.5
140.10815	3.3
145.05235	1.4
147.04488	1.2
149.02397	0.8
149.03491	0.9
149.06047	3.1
150.03098	0.8
153.05539	1.5
156.06703	1.1
157.13400	1.1
161.02380	2.0
162.05585	1.8
164.07118	1.4
165.04266	1.0
165.05563	7.0
166.05023	1.1
167.07050	0.8
167.11871	3.3
172.56522	0.7
174.05611	1.0
174.09198	2.3
175.03868	1.2
176.07126	1.5
176.10809	0.7
178.05017	3.3
179.03433	2.6
179.08266	2.5
180.10320	1.1
183.11336	2.4
188.05876	1.5
189.06560	0.8
189.10269	0.7
192.06763	0.8
193.05029	3.8
195.06581	8.4
196.09798	1.1
199.10884	0.9
201.12434	7.5
202.12468	0.8
206.11815	2.5
211.10881	8.6
216.08815	1.1
217.09692	1.0
221.04518	0.8
231.11276	1.9
232.13460	0.7
235.07191	1.0
236.35263	0.7
245.12965	1.8
248.12875	9.0
249.12413	4.8
258.11349	1.2
259.14499	1.3
261.12427	3.4
277.15598	1.7
287.13959	2.0
289.15552	2.7
291.13437	4.0
292.10635	0.8
303.13397	1.1
321.14572	4.5
329.10284	0.8
356.89981	0.7
363.15427	2.4
371.58282	0.7
423.17651	9.7
424.17975	1.1
465.18784	0.9
470.17923	1.8
483.19644	6.5
517.21851	0.7
530.20172	3.2
541.21661	0.9
559.22778	14.9
560.23199	2.1
565.75397	0.8
575.22412	1.4
601.24097	1.0
619.24994	100.0
620.25220	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	619.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
59.01371	17.3
59.01672	0.8
66.51605	0.3
67.01840	0.4
69.38026	2.1
69.38452	0.8
71.01369	2.0
72.00875	0.4
72.99310	0.4
73.02927	0.4
82.06607	0.9
84.08179	0.8
85.02946	0.4
88.04036	3.9
88.98787	1.1
89.02441	1.2
93.03440	1.2
95.05019	0.5
97.06580	4.6
98.20689	0.6
101.02423	0.8
106.04261	0.3
107.04999	1.0
108.02182	0.4
113.06071	0.5
114.01952	5.6
117.03444	1.4
120.04539	0.5
123.04519	1.1
125.02492	0.7
130.08711	2.0
132.02153	1.5
132.04512	0.5
133.02943	0.8
134.03725	25.3
135.04555	1.7
137.02397	1.3
138.05612	0.7
139.03996	0.9
139.08743	0.6
140.10846	2.0
147.04524	1.1
147.17377	0.4
148.05287	2.0
148.07722	0.6
149.06061	100.0
150.06456	3.2
153.10431	0.5
155.11914	0.5
156.06667	3.0
157.13417	0.7
159.05615	0.5
160.01634	5.3
162.05609	1.5
164.03470	0.5
164.07173	1.0
165.05498	2.4
167.07121	0.6
167.11880	1.4
174.09317	0.6
175.03976	8.8
176.07220	0.5
178.02695	3.6
178.05081	1.6
179.03290	0.4
183.11473	0.6
184.09816	0.5
191.07082	1.9
192.10280	0.4
193.05025	29.7
194.05354	1.1
195.06573	2.4
196.09654	0.4
199.10834	0.4
201.12402	4.5
202.07381	0.5
206.04591	0.8
206.08180	0.7
206.11850	0.6
211.10832	2.5
219.07759	0.4
229.28087	0.4
231.11346	0.8
238.07022	0.4
245.12993	0.9
248.12878	2.4
249.08821	0.5
249.12437	1.9
258.48352	0.4
259.14410	0.6
261.12479	1.0
261.15921	0.4
275.14117	0.4
277.15527	1.2
285.16125	0.6
287.13947	0.7
289.15521	0.8
291.13437	0.7
293.09036	0.4
301.11902	0.4
301.15341	0.6
321.14453	1.7
323.11212	0.4
363.15668	1.1
385.65729	0.4
423.17682	3.0
424.18228	0.5
425.14459	9.1
426.14975	1.0
443.15689	1.3
454.93906	0.4
469.13434	10.5
470.13461	0.9
483.19775	2.3
527.77374	0.4
530.20642	0.8
559.22833	7.0
560.23328	1.3
587.22522	0.4
589.23828	0.6
601.24591	0.7
619.25226	38.3
620.25623	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	619.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25081	0.7
59.01372	46.0
60.19972	0.8
61.98814	3.3
66.52113	0.8
69.11133	1.0
69.75233	2.9
71.01374	3.5
73.02934	1.3
74.02452	6.3
75.00877	1.9
82.02993	0.7
82.06589	1.2
85.02948	1.1
87.00880	2.3
88.98800	1.0
89.02438	1.7
93.03481	0.9
96.95998	8.7
97.06574	1.0
99.00818	1.1
100.00389	2.9
101.02428	2.9
107.05021	1.7
108.04512	1.0
113.02413	1.1
117.03464	1.1
119.04984	0.8
123.04527	1.6
126.09232	1.5
128.10799	1.0
130.08720	7.6
133.02902	0.9
134.03720	2.2
134.06090	1.1
135.04497	6.3
135.09363	0.9
139.08722	0.9
143.11926	3.9
144.04510	1.1
149.06061	3.1
151.08727	0.9
152.03465	1.0
153.05492	0.8
153.10306	4.9
156.06660	0.9
158.06068	1.3
160.07683	1.0
161.02383	1.8
161.04700	2.0
162.05626	1.6
164.07153	0.9
169.09799	1.0
174.05617	1.6
176.07193	3.9
178.05014	2.3
179.03473	2.2
187.10867	3.1
190.08734	1.1
192.06656	0.9
193.05034	2.8
195.06564	2.9
197.09280	5.1
202.05148	1.1
206.04547	1.2
206.08208	3.2
214.12267	1.5
216.06624	1.1
228.09172	0.9
230.11800	0.9
234.07799	0.7
243.15121	1.1
246.14990	2.4
260.05865	0.8
261.15952	3.0
262.14368	1.2
271.14508	4.9
273.12262	0.8
287.13983	2.1
289.15576	1.0
303.17010	2.1
315.13367	1.6
342.09854	0.9
347.15897	1.3
379.18866	3.5
407.17902	0.8
423.17371	1.3
483.19617	9.9
487.33258	0.9
488.15707	1.9
544.21918	4.8
559.22510	1.8
587.22485	1.6
618.40930	1.1
619.24890	100.0
620.25281	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	619.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.99302	4.6
61.98824	5.9
70.46342	4.4
70.46704	5.0
71.01376	33.5
72.99297	4.7
73.02940	19.3
79.67323	2.1
80.36810	2.0
82.20796	2.7
83.01379	7.5
85.02943	13.8
86.90060	2.3
87.00866	4.8
88.98803	20.8
89.02433	14.9
91.03970	3.2
95.01369	2.6
96.95996	6.6
97.02963	3.7
101.02439	27.0
106.32977	1.9
106.49872	2.3
112.99362	2.3
113.02439	26.7
119.03481	7.8
125.02438	4.2
133.02893	3.8
135.04503	3.2
135.52933	2.2
143.03514	3.9
161.02461	3.7
161.04518	6.2
184.72614	2.3
185.82962	2.1
186.42668	2.1
279.23285	31.9
293.24875	7.9
297.24310	5.6
305.12909	2.8
321.24091	2.7
351.25476	2.5
441.28458	50.8
442.28885	5.2
459.29382	11.5
483.29559	33.0
484.30164	2.7
501.30737	12.9
502.31274	3.0
529.19635	3.5
582.05347	2.5
619.26782	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	619.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03438	2.1
58.00570	1.6
59.01372	100.0
61.98816	5.3
69.03433	2.6
70.07800	4.1
71.01371	41.6
71.87352	1.4
72.99290	4.8
73.02930	20.7
75.00888	1.2
77.86497	1.1
78.95888	2.7
80.52766	1.1
83.01380	7.8
85.02948	12.8
87.00861	4.9
88.98796	4.7
89.02437	14.9
91.03985	4.4
92.62540	1.1
95.01369	3.2
96.95995	7.5
97.02925	1.7
99.00878	2.0
101.02429	22.5
113.02437	24.8
119.03468	5.1
124.01586	1.9
125.02402	4.3
135.04335	1.1
143.03470	3.9
161.02377	3.3
161.04524	5.6
163.03944	1.8
174.01715	1.1
179.03342	1.5
179.05469	1.6
183.13956	2.8
198.53366	1.2
203.05640	3.3
205.12059	1.3
245.62939	1.4
279.23282	25.4
280.23569	2.5
293.24808	4.8
295.22723	4.9
297.24255	5.0
321.24280	4.5
323.22202	2.1
341.10873	2.5
423.27286	1.6
441.28470	55.3
441.34583	2.9
442.28625	5.1
459.29544	11.6
474.24243	1.6
483.29541	26.6
484.30090	3.9
501.30643	16.2
502.30518	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	619.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02930	0.9
55.01872	1.3
57.03431	1.2
57.91621	1.0
58.00569	1.1
58.77510	0.8
59.01371	35.3
61.19888	0.9
61.38313	1.0
61.98820	1.5
67.43786	0.9
70.10715	3.7
71.01033	1.5
71.01374	14.8
73.02934	3.4
78.95898	1.6
79.95840	0.9
83.01401	1.4
85.02930	4.6
89.02425	12.1
95.01373	1.7
97.28754	0.9
98.20013	1.5
101.02399	5.1
113.02454	7.7
119.03488	2.8
119.05020	17.3
137.06038	1.6
141.09219	1.0
145.02921	1.9
152.10603	1.1
152.99524	1.8
156.89485	0.9
161.04626	1.4
172.88982	1.1
239.64314	1.0
255.23318	1.7
273.22205	1.7
277.21680	100.0
278.22018	8.5
281.10278	10.6
291.23270	13.6
292.23444	1.4
299.11398	5.0
301.21719	1.1
319.22772	5.2
483.27286	2.0
540.75049	1.2
619.39264	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68158	0.5
57.03431	0.6
59.01372	10.8
61.98788	0.8
71.01367	4.1
71.43019	0.8
81.03444	3.4
83.05017	0.9
85.02933	4.1
89.02437	1.9
93.03451	0.7
95.01375	0.7
95.05008	2.3
96.08183	4.1
96.95999	9.6
97.06596	0.6
99.04525	0.7
101.02431	2.2
107.04967	0.8
109.02946	1.2
109.06576	3.6
113.02441	4.8
114.09232	2.0
116.07159	100.0
117.03418	0.9
117.07491	2.0
117.77654	0.5
119.03442	0.9
119.04999	2.1
121.02926	0.9
123.04501	3.1
124.11298	0.5
126.05536	0.6
132.02164	1.3
133.02933	17.8
133.06584	1.1
134.03712	1.6
135.03470	1.1
135.04506	20.4
135.08154	6.5
136.08447	0.6
137.02405	1.1
137.06061	0.8
138.05583	1.7
140.07152	16.7
141.05557	1.0
142.05083	3.0
145.02913	0.9
149.02428	1.8
150.03233	4.3
151.03976	6.1
152.03523	0.9
158.08208	2.6
159.04541	0.6
159.08167	0.7
161.02415	49.9
161.04573	1.6
161.06050	1.9
161.09682	1.7
163.03986	0.8
166.08731	1.0
174.01680	1.4
175.03960	0.9
177.09181	0.8
178.12355	1.6
179.03479	25.5
179.07060	3.5
180.10252	0.8
181.08672	6.5
185.05910	0.6
194.11787	1.4
204.13844	1.0
216.13910	0.7
220.09766	1.1
222.11293	0.9
232.17039	7.2
239.07738	0.6
258.14825	0.8
267.06818	0.9
276.12888	0.6
276.15952	11.2
276.18735	1.0
289.82678	0.5
320.14957	28.0
321.15414	1.6
459.15103	2.5
469.13245	1.2
487.14713	1.6
540.16949	2.6
611.23254	0.6
620.27008	70.2
621.18036	15.1
621.27411	9.7
623.19830	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	621.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
61.98823	0.3
69.34956	1.7
71.01380	0.4
74.02493	0.2
78.95895	3.5
79.95731	3.2
80.24152	0.2
87.00844	0.2
89.02427	0.3
93.03481	0.3
96.95999	100.0
96.96883	4.5
97.95938	0.3
101.02443	0.5
111.00782	0.2
113.02413	0.2
121.02931	0.3
133.02921	0.5
135.04477	0.9
135.49487	0.2
137.02440	0.3
151.03949	0.3
161.02435	1.4
163.03979	0.4
164.04794	0.2
179.03482	1.1
193.05089	0.2
220.06122	0.2
229.09911	0.2
247.10678	0.2
275.83179	0.2
284.56134	0.2
291.08810	0.3
344.05725	0.2
426.79813	0.2
463.15747	0.2
541.15198	0.2
577.20319	1.6
621.22784	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	621.1815
Annotation	Scutellarein 6,7-dimethyl ether 4'-rutinoside
Peak:m/z	Relative Intensity
59.01368	2.8
59.12318	0.4
69.72256	0.4
69.75568	1.0
69.75980	1.6
71.01373	3.1
73.02924	0.9
80.08891	0.4
82.95407	0.8
85.02937	2.8
87.00850	0.9
89.02425	0.6
93.03403	0.7
94.45071	0.4
96.95985	0.6
98.19888	0.4
99.00875	1.7
108.02122	0.6
109.02951	6.7
113.02442	2.3
119.04979	0.6
121.02946	1.9
123.04501	1.3
128.95020	0.4
129.03438	0.6
133.02942	0.7
135.04488	1.5
137.02444	0.8
145.02968	3.1
146.03682	1.3
147.04501	11.6
159.04521	3.9
161.02396	1.3
161.06033	1.6
165.05557	2.8
173.02402	0.6
179.03465	0.6
197.06009	0.5
211.07597	1.1
221.06065	1.6
223.07539	1.2
224.04861	0.6
225.05424	0.6
229.42694	0.4
234.06891	0.5
237.05515	1.2
238.06174	0.5
239.07188	3.0
240.04369	0.5
241.05025	1.5
241.08693	0.6
242.05688	1.4
249.05635	2.1
250.06195	1.4
251.07156	2.2
252.07799	1.7
253.04936	1.4
254.05763	3.5
255.06525	1.5
257.08078	0.7
266.05759	1.0
267.06561	13.2
268.04019	0.7
268.07330	5.7
269.08142	25.0
270.08444	1.5
277.05072	1.2
278.05618	0.4
280.03818	0.5
287.09207	0.5
293.04501	0.5
294.05533	0.4
295.06055	5.4
313.07080	1.0
327.10779	0.9
355.08270	0.5
442.83954	0.4
457.11368	1.3
475.12411	13.6
476.12720	2.0
480.53232	0.5
491.82230	0.4
545.41455	0.4
621.18146	100.0
622.18542	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	621.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02970	0.2
55.24518	0.2
59.01378	3.4
59.18530	0.2
61.98824	0.2
65.41721	0.2
67.08791	0.2
69.03454	0.3
69.29250	2.1
69.29655	0.4
71.01369	1.8
73.02950	0.3
75.00868	0.4
83.78035	0.3
85.02956	0.6
88.98793	0.6
89.02434	1.7
89.03959	1.6
91.01886	1.7
93.03447	1.3
93.04006	0.2
94.77551	0.2
96.96008	3.0
97.02962	0.3
99.00865	0.6
101.02460	0.9
107.05008	0.6
111.00874	0.3
113.02453	0.8
115.04042	0.3
117.03452	5.5
117.04243	0.4
119.01411	0.6
121.02953	1.6
125.02409	0.9
132.02176	3.4
133.02951	0.9
134.03726	79.9
135.04001	3.1
136.01575	0.3
137.02472	1.5
143.03445	0.3
149.06055	7.0
149.07211	0.4
151.03990	11.7
151.05231	0.6
152.04376	0.3
160.01639	10.6
161.02440	2.1
163.03979	0.3
166.70177	0.2
175.03973	10.5
175.05479	0.5
176.04340	0.4
178.02599	0.7
179.03502	1.1
180.08107	0.3
193.05031	100.0
194.05342	3.8
230.16940	0.3
233.06592	0.3
235.06036	1.6
265.07126	0.3
325.09354	0.3
341.08862	0.3
367.10312	0.9
397.11328	0.3
469.13440	17.3
470.13989	1.6
561.29608	0.3
577.23999	0.4
579.30029	0.3
621.17950	2.0
621.27020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1816
Annotation	Scutellarein 6,7-dimethyl ether 4'-rutinoside
Peak:m/z	Relative Intensity
50.06973	0.3
53.14165	0.3
55.01857	0.8
57.03439	1.4
59.01370	6.1
61.98816	0.4
65.99603	0.4
69.29575	3.9
71.01375	6.2
71.12849	0.4
72.99299	9.4
73.02930	1.8
82.95397	1.1
83.01358	0.8
85.02946	4.6
87.00853	1.3
89.02456	2.8
93.03445	1.0
95.01350	0.9
96.95994	3.4
97.02962	0.6
98.95605	0.7
99.00846	1.4
101.02431	2.4
104.21521	0.4
108.02170	1.2
109.02934	5.4
113.02431	4.9
117.03500	0.5
119.03471	0.7
119.04971	0.7
121.02935	2.8
123.04515	2.2
129.01874	0.6
129.03452	0.6
131.04868	0.5
133.02022	0.4
133.02963	1.8
135.04497	2.7
137.02411	1.1
145.02962	2.5
145.52490	0.4
146.03738	4.7
147.04500	10.7
149.02362	0.7
150.03191	0.5
151.03954	1.0
153.01926	0.6
158.03703	0.7
159.04500	6.1
161.02440	5.0
161.06015	1.1
162.03168	0.5
163.03922	0.7
165.05533	9.3
165.71275	0.4
173.04523	0.5
175.03941	0.6
179.03510	2.1
185.05995	0.5
189.05574	0.5
192.88794	0.4
197.06015	0.5
209.04469	0.8
211.07567	1.1
213.05600	0.5
215.93999	0.5
222.06868	0.5
223.07680	0.8
224.04665	0.5
225.05507	0.7
227.07031	0.5
237.05754	0.5
238.06293	0.6
239.07129	3.1
240.04309	0.7
240.07877	0.5
241.04996	1.8
241.08458	0.6
242.05775	1.1
249.05452	2.0
250.06380	1.2
251.07088	3.0
252.07764	2.1
253.05058	1.8
254.05792	3.3
255.06541	2.5
257.08112	0.8
265.04932	0.5
266.05783	1.1
267.06577	14.3
268.07333	13.3
269.08130	19.1
270.08505	1.3
277.05038	1.1
281.08231	0.6
283.09708	13.5
284.10037	0.8
287.08957	0.5
295.06119	4.6
296.06485	0.4
301.10770	1.4
313.07129	0.6
327.07986	1.0
327.10828	2.2
431.14471	0.4
445.14590	1.3
457.11377	0.9
459.14761	0.5
463.16000	3.9
475.12347	10.5
476.12891	0.8
501.14252	0.6
531.15240	0.9
561.16040	1.5
577.19287	3.3
612.58447	0.5
621.18140	100.0
622.18494	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	621.1814
Annotation	Isocrenatoside
Peak:m/z	Relative Intensity
57.03436	0.8
57.14314	0.2
59.01374	3.5
69.92162	0.3
71.01364	4.6
73.02923	0.5
77.03960	0.4
85.02935	4.8
87.00877	0.3
89.02433	2.2
89.03974	0.5
93.03423	0.5
95.01381	1.9
95.05023	0.3
101.02422	1.0
103.03963	0.3
105.03427	1.3
106.55782	0.2
107.05045	1.4
109.02914	1.0
113.02437	8.4
113.29413	0.3
115.01865	0.3
117.03461	1.1
119.03454	0.6
121.02954	0.5
122.03723	0.3
123.04501	7.1
132.02136	1.7
133.02936	34.5
133.30130	0.2
134.03757	4.2
135.04503	67.6
136.04814	2.7
137.02391	0.6
143.03477	0.5
149.02419	0.9
150.03192	4.5
151.03993	13.3
152.04253	0.5
153.05669	0.3
161.02415	100.0
162.02754	3.8
163.03964	0.5
175.03966	0.3
179.03464	85.5
180.03787	3.3
187.11212	0.4
203.03416	1.4
205.04895	0.4
205.12230	0.5
217.05037	0.3
233.04459	0.9
245.04483	0.6
247.06145	0.3
249.11302	0.3
251.05594	0.7
277.07083	0.3
305.06757	0.4
323.07645	0.4
325.09247	0.9
385.18555	0.3
429.17484	0.8
459.15018	5.9
460.15283	0.6
469.13477	1.2
487.14764	1.8
597.28424	0.3
621.18115	29.2
622.18561	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	621.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03427	1.4
59.01381	7.7
61.98819	0.6
71.01379	7.4
71.61971	0.4
72.99306	11.2
73.02946	1.8
75.00877	0.5
79.45037	0.3
81.03458	0.4
82.95412	1.2
83.01348	0.7
85.02952	4.6
87.00870	1.6
89.02436	3.0
93.03419	0.9
95.01390	0.7
96.96008	5.6
97.02946	1.4
98.95596	0.7
99.00871	1.6
101.02443	2.4
108.02178	0.7
109.02937	5.7
111.00859	0.6
113.02439	4.9
117.38787	0.3
119.03489	0.7
121.02943	2.7
123.04533	2.3
125.02410	0.5
129.01875	0.5
129.03465	0.5
131.03548	0.4
133.02957	2.3
134.03773	0.5
135.04529	2.8
136.84351	0.3
137.02412	0.5
145.02931	2.2
146.03732	4.7
147.04520	7.9
149.02443	0.4
150.03172	0.8
151.03949	1.2
158.03687	0.8
159.04507	5.6
160.01689	0.3
161.02449	7.1
161.06027	1.0
162.89980	0.4
163.03979	0.8
165.05559	6.6
166.02611	0.4
173.02510	0.5
173.04477	1.1
173.05945	0.5
175.03963	0.6
179.03439	1.8
179.05670	0.4
185.06187	0.4
197.06068	0.4
211.07591	1.1
213.05464	0.5
221.06116	0.6
223.07556	1.1
224.04677	0.9
225.05556	1.5
227.07094	0.4
233.06369	0.5
237.05495	1.0
238.06339	0.6
239.07132	3.5
240.04266	0.4
240.07771	0.6
241.05026	2.2
242.05769	1.0
249.05510	1.3
250.06329	1.0
251.07121	2.7
252.07892	2.3
253.05148	2.7
254.05800	3.4
255.06589	2.3
256.07217	0.7
257.08038	0.6
266.05780	1.3
267.06601	14.4
268.04230	0.7
268.07349	16.5
269.08154	18.6
270.08478	1.1
277.04996	1.1
281.08179	1.1
282.09048	0.7
283.09747	16.6
284.10031	1.2
285.07620	0.5
286.08533	1.3
287.09186	0.8
295.06073	4.5
297.11438	0.4
301.10754	1.5
313.07040	0.7
327.08502	1.5
327.11282	1.0
445.15042	1.2
447.15268	0.4
457.11267	1.1
459.14267	0.4
463.16034	4.5
475.12320	8.8
476.12881	0.9
505.17047	0.6
531.14984	0.9
561.16040	1.5
577.19177	2.9
585.22369	0.5
621.18195	100.0
622.18555	12.3
649.69843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04012	0.3
57.51717	0.2
59.01398	0.3
69.40763	0.4
69.41167	2.2
71.01367	0.5
78.95895	100.0
79.85856	0.3
85.02934	1.4
93.03437	0.7
96.96953	7.9
98.20471	1.1
106.07146	0.3
113.02485	0.4
116.35011	0.3
119.05081	0.3
127.04014	0.3
133.02919	0.6
135.04501	0.9
137.06064	1.7
144.23145	0.3
161.02423	1.7
163.04019	0.6
173.04478	0.5
179.03439	1.1
191.05585	27.5
192.05983	0.8
249.08858	0.8
267.09988	60.3
268.10251	3.2
321.09393	2.8
353.08716	5.3
354.09274	0.5
365.08557	0.4
518.38348	0.4
621.18030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.7
60.99306	0.6
61.98825	2.2
66.39840	0.3
69.32645	1.2
69.33071	1.1
71.01366	2.9
73.02945	0.9
82.95412	0.5
85.02949	0.9
85.46095	0.3
88.98804	3.6
89.02439	4.2
89.03983	0.4
91.01908	0.3
91.05508	0.5
93.03464	0.7
95.78409	0.3
96.96005	7.0
96.96967	0.3
98.95578	0.8
99.00857	1.9
101.02442	1.2
113.02437	0.8
117.03473	0.4
119.01347	0.7
119.03478	0.3
119.04988	0.8
121.02940	8.3
122.09381	0.2
131.03481	0.4
132.02141	1.3
133.02924	1.0
134.03731	0.6
135.04523	2.6
137.02440	1.2
147.00882	0.8
147.04509	2.8
148.04857	0.3
149.02425	54.4
150.02734	1.7
151.03978	0.5
152.01045	0.5
161.02397	2.5
163.03963	1.2
164.04771	46.1
165.05092	1.7
175.00334	4.6
179.03484	2.2
179.07109	5.6
190.02698	11.8
191.03030	0.5
191.05612	0.5
193.05006	0.6
205.05031	10.0
206.05319	0.4
208.03777	0.5
223.06087	100.0
224.06416	4.3
392.36334	0.3
415.40897	0.3
569.49792	0.3
621.21722	7.8
622.22107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03443	1.0
51.07329	1.1
59.01373	86.6
60.99304	2.7
61.98825	26.2
69.35063	1.0
71.01362	8.4
71.62733	1.6
72.00891	3.3
72.05956	1.2
74.02473	2.5
78.95856	1.2
82.95411	1.4
83.05021	2.6
85.02955	4.5
86.02469	2.6
87.00882	2.4
88.98801	9.3
89.02441	5.2
93.03451	3.9
95.01398	1.5
96.96001	14.8
100.00407	6.0
101.02435	4.9
104.03525	6.1
107.05044	1.5
112.07701	2.1
113.02464	5.0
117.03468	2.0
119.05038	5.5
121.02962	4.0
123.04529	5.0
125.06120	1.1
125.07215	2.0
130.01418	1.8
132.02139	1.8
133.02948	11.4
133.03879	1.6
134.03722	4.8
135.04512	22.5
137.02438	3.5
139.08788	3.2
141.10353	5.5
145.02979	1.5
145.05315	1.2
147.04501	2.0
149.02428	23.5
149.03514	2.1
149.06123	1.5
150.03204	2.2
150.05591	1.5
151.04013	4.5
151.08786	2.4
153.05533	1.8
160.01675	1.5
160.07674	1.3
161.02431	35.4
161.03705	2.0
161.04527	1.6
162.02785	1.8
162.05594	1.6
163.04022	4.4
164.04771	21.4
164.07153	3.8
165.05551	5.1
166.05136	1.8
166.08699	1.9
173.09322	3.6
176.10896	2.3
177.01831	1.4
177.07941	1.5
178.05032	2.5
179.03468	22.3
179.07137	2.7
183.07777	5.3
188.10849	1.4
190.02695	5.8
192.10278	13.9
193.05083	3.7
195.06548	9.2
203.10291	3.6
205.04959	6.7
213.08798	2.5
218.11801	2.0
220.13498	2.6
223.06076	36.5
232.13525	1.6
234.11360	10.0
247.10880	2.4
249.12669	1.3
259.10791	2.4
261.12518	5.5
275.14041	1.5
277.12100	1.8
289.15613	2.9
291.13794	1.3
303.13400	2.0
319.16638	3.4
349.22049	1.2
363.15714	3.7
363.56079	1.6
395.14246	2.0
400.12769	1.8
423.17700	4.7
425.15604	4.5
455.17148	1.7
499.21286	2.0
516.19159	2.7
531.19702	3.3
534.19867	2.5
561.21106	4.2
561.29132	1.4
585.21802	14.6
586.22247	2.4
591.21759	20.1
592.21912	1.8
594.71429	1.4
603.21869	8.2
621.23151	100.0
622.23145	15.7
623.19849	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	621.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.1
61.98819	1.2
71.01369	5.2
71.61849	0.5
72.99305	0.8
73.02928	2.0
75.00883	0.5
82.02986	0.4
85.02937	2.7
87.00873	0.5
88.98808	1.1
89.02425	4.0
89.03962	0.7
91.05500	0.5
93.03481	0.6
96.96022	0.8
97.02955	0.8
99.00857	2.6
101.02403	2.3
105.03448	0.4
106.04267	0.6
107.05019	2.1
113.02453	1.3
116.05056	1.1
117.03445	3.5
119.03494	0.5
119.05018	0.9
123.04527	1.1
125.02444	0.6
131.03488	0.6
132.02190	1.8
133.02948	18.5
134.03732	38.9
135.04512	100.0
136.04832	3.2
137.02444	0.6
143.03491	0.5
149.04807	0.5
149.06093	2.6
151.04050	0.6
152.03485	0.5
157.07710	0.5
160.01653	5.1
161.02428	50.7
162.02773	2.0
162.94392	0.4
175.03979	3.8
179.03479	63.1
180.03859	2.5
180.81862	0.5
180.86624	0.5
193.05025	38.2
194.05336	1.8
195.06659	0.7
227.88033	0.5
233.06905	0.4
265.07175	0.7
320.68454	0.5
325.09225	1.0
367.10321	0.7
467.14236	0.7
489.34756	0.5
621.25488	62.9
622.25995	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	621.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04561	0.9
59.01371	30.0
61.98813	4.0
71.01367	12.2
71.62432	1.5
71.62794	1.2
73.02946	3.8
74.94087	0.9
85.02929	2.5
89.02428	9.0
96.24012	1.3
96.95982	1.1
101.02458	5.8
113.02473	6.3
114.47050	1.0
119.03528	1.9
119.05011	16.9
126.91232	1.1
135.04510	2.6
143.03525	1.2
153.09229	6.1
161.02415	4.5
161.04523	1.4
179.03506	2.6
197.08156	7.0
255.23256	2.3
269.22702	1.0
277.21548	1.6
279.23236	100.0
280.23615	6.6
281.10233	7.2
291.23251	1.2
293.24799	14.5
299.11319	5.1
303.23474	1.4
321.24246	5.6
383.14890	1.2
553.48920	1.1
561.33875	1.7
621.38617	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	621.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90102	39.5
75.83561	36.8
98.19794	47.7
99.60368	37.0
104.54331	34.9
172.24344	33.9
189.82491	33.3
219.40295	38.2
255.23230	50.2
306.07913	34.6
457.59000	41.6
599.44983	38.5
621.37476	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	622.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.76822	0.1
61.98822	100.0
62.98503	0.2
68.32091	0.2
70.02699	0.2
70.03011	0.8
89.08750	0.1
113.02419	0.2
119.05029	0.6
133.02940	0.3
135.04526	0.3
157.34102	0.1
161.02426	1.2
163.04007	0.4
231.72314	0.2
277.21808	0.6
278.22058	1.2
279.22260	0.7
280.22699	0.4
377.06970	0.2
459.14948	0.2
549.25293	0.2
623.20142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1611
Annotation	Stellarin 2
Peak:m/z	Relative Intensity
59.01372	2.8
71.01366	4.0
72.99264	0.3
73.02930	0.5
75.00832	0.5
75.47603	0.3
83.01360	0.4
85.02944	2.9
87.00826	0.4
89.02426	1.4
93.03421	0.7
95.01368	0.9
96.95998	0.6
99.00857	0.5
101.02434	0.8
108.02132	0.4
109.02897	1.0
111.00890	0.9
113.01814	0.3
113.02439	4.4
119.05039	0.4
123.06150	0.3
132.02176	0.4
133.02939	4.0
134.03668	1.6
135.04518	1.8
145.02934	0.7
147.04454	1.1
148.21703	0.4
149.02373	1.0
150.03107	0.7
155.10683	1.3
159.04491	0.4
161.02428	6.2
161.04485	1.0
161.05984	0.7
163.03960	1.0
165.05434	0.7
173.02321	0.4
175.03886	1.1
177.01886	2.1
179.03360	0.5
189.05632	0.4
191.03401	1.3
193.05002	0.3
195.06555	0.5
201.01822	0.6
203.03386	0.9
221.04622	0.6
225.09125	0.5
233.04495	0.5
241.04996	0.5
249.05962	0.8
255.06393	0.7
267.06491	0.8
269.00751	1.3
269.04355	0.5
283.06061	1.7
284.06784	0.5
285.03827	0.4
293.04315	0.5
297.00244	1.5
297.03909	1.4
298.04822	3.3
299.05511	2.3
309.03757	0.9
310.04901	0.5
311.01993	0.6
311.05569	14.2
312.06332	44.3
313.06720	3.3
321.03967	0.5
322.04657	1.2
323.05499	3.3
324.06216	0.9
325.06830	0.8
326.08005	0.9
327.04935	1.4
327.08469	0.8
337.07275	0.8
338.04034	1.2
339.05075	4.2
339.89822	0.4
340.05753	1.1
341.06570	2.4
344.05249	1.7
351.04916	1.2
353.06384	1.8
354.07196	0.7
355.04407	0.5
355.08112	4.0
358.06726	1.0
365.06488	1.0
367.04141	0.6
367.08231	0.8
368.05038	1.1
369.05963	1.3
370.06885	0.6
381.05850	0.7
383.07639	38.8
384.07959	2.9
385.09259	0.7
386.06207	0.7
395.07599	2.3
411.06992	0.6
413.08713	18.7
414.08871	1.3
425.08652	3.0
437.08582	0.4
443.09683	1.7
449.16360	1.2
455.09341	0.5
461.16003	0.7
485.10571	0.6
503.11905	13.8
504.12415	1.8
533.12567	1.9
551.21307	0.9
563.19519	0.9
605.14905	0.7
623.15912	100.0
624.16284	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	623.197
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
55.82705	0.3
57.03448	0.9
59.01119	0.5
59.01376	3.8
61.31990	0.3
61.98845	0.4
70.88953	0.8
71.01373	5.9
80.48861	0.3
83.01408	0.3
85.02940	6.4
87.00881	0.3
88.75188	0.3
89.02441	2.5
95.01363	2.3
96.96004	2.2
101.02454	1.2
102.20715	0.3
105.03418	0.6
112.05428	0.3
113.02431	12.5
114.02753	0.4
115.00338	0.4
115.01821	0.3
117.03493	1.5
118.94177	0.5
119.03498	0.5
119.04993	0.5
123.04496	1.3
132.02147	1.5
133.02940	33.6
134.03326	1.2
135.04504	14.1
136.04822	0.5
153.05548	0.9
161.02422	100.0
162.02786	3.6
163.03964	0.8
164.67516	0.3
179.03487	3.0
303.01917	0.3
311.09396	0.4
315.10803	1.1
461.16568	7.7
462.16971	0.6
507.56152	0.4
541.26892	1.1
563.25891	0.4
622.29462	0.4
623.19702	55.5
624.20013	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	623.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.03430	0.5
59.01366	3.5
69.77677	0.3
70.78184	0.2
71.01377	5.4
73.02944	0.2
77.03971	0.2
85.02945	5.8
87.00861	0.3
89.02432	2.6
95.01373	2.2
98.19855	0.5
98.98333	0.2
101.02437	0.9
102.97390	0.2
103.04059	0.3
105.03478	0.6
113.02437	11.5
115.01871	0.3
117.03461	0.7
119.03477	0.6
123.04504	1.3
124.78438	0.2
130.17259	0.2
132.02159	2.0
133.02940	33.9
134.03310	0.7
135.04514	13.0
136.04883	0.6
143.03502	0.2
153.05571	1.2
161.02423	100.0
162.02748	3.6
179.03470	2.6
275.39276	0.3
297.09531	0.3
315.10788	0.8
360.92416	0.2
428.85583	0.3
461.16559	7.9
462.16937	0.3
497.04593	0.2
499.09824	0.3
519.54712	0.2
623.19720	53.4
624.19922	3.6
640.62366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03445	0.4
59.01092	0.3
59.01375	4.4
69.31831	2.7
70.46987	0.3
71.01373	6.7
73.89870	0.3
83.01397	0.5
83.69366	0.3
85.02943	7.3
87.28835	0.3
89.02448	2.1
89.03982	0.4
95.01384	2.6
101.02431	1.4
105.03442	0.5
113.02435	15.9
117.03473	0.7
119.03522	0.4
123.04523	1.3
125.11398	0.3
127.11813	0.4
132.02168	1.7
133.02943	33.4
134.03371	0.6
135.04510	17.0
153.05591	0.8
161.02428	100.0
162.02773	3.7
170.75204	0.3
177.05476	0.4
179.03485	4.0
297.09888	0.6
315.10800	1.3
391.03421	0.3
410.84555	0.4
461.16553	7.4
462.16919	0.6
582.04547	0.4
623.19714	57.8
624.19965	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	623.1971
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
53.30109	0.4
57.03450	1.1
59.01368	7.0
69.29070	5.0
71.01379	8.8
73.02957	0.7
83.01373	0.9
85.02946	9.4
89.02423	2.7
95.01384	3.7
98.19910	1.1
101.02439	1.2
113.02440	16.3
117.03448	1.3
119.03514	1.0
123.04517	2.1
132.02151	1.8
133.02943	37.7
134.03604	0.9
135.04514	20.7
136.04854	0.5
149.06065	0.6
153.05533	0.7
161.02431	100.0
162.02805	3.0
179.03488	4.7
193.04941	0.9
251.05605	0.6
305.06647	0.5
315.10846	2.0
429.13571	0.8
447.14902	0.8
461.16614	9.2
546.38550	0.5
623.19702	67.1
624.20050	11.4
629.17914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14933	0.3
55.01880	0.3
57.03450	0.6
59.00650	0.3
59.01373	4.4
59.51658	0.3
59.72860	0.3
65.07829	0.3
69.02879	0.3
69.77869	2.0
71.01371	6.5
73.02943	0.6
78.18139	0.3
80.38545	0.3
85.02946	7.2
86.58638	0.3
87.00861	0.5
89.02445	2.2
89.03974	0.3
94.40724	0.3
95.01382	2.5
101.02420	1.6
101.96077	0.3
105.03426	0.4
109.02965	0.6
113.02435	14.2
114.02763	0.4
117.03455	1.6
119.05037	0.9
123.04484	1.8
132.02190	2.4
133.02942	33.4
134.03226	0.9
135.04507	14.2
136.04848	0.6
143.03520	0.3
145.02942	3.2
150.03227	0.4
151.03989	0.9
153.05562	1.2
153.06747	0.3
161.02425	100.0
162.02768	4.5
162.95139	0.3
163.04005	2.0
179.03476	3.8
201.20233	0.3
242.05795	0.4
243.06599	0.7
311.75381	0.3
315.10779	0.9
461.16586	8.3
462.16876	0.7
477.14255	0.4
605.18616	0.8
622.69781	0.6
623.19739	58.1
623.69904	0.7
624.19989	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	623.1974
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
57.03445	1.4
59.01374	23.2
60.99286	0.8
61.98821	2.2
65.00327	1.0
67.01884	2.0
68.99809	5.2
71.01377	8.9
73.02943	2.2
75.00876	0.7
76.90501	0.5
81.03469	0.9
83.01359	1.5
85.02950	9.2
87.00888	0.7
88.98792	2.0
89.02422	3.1
91.05521	0.7
93.03448	2.3
95.01373	2.9
96.96014	1.2
99.00860	1.0
99.04477	0.9
101.02429	15.0
107.01379	1.2
107.05006	0.9
111.00874	5.0
111.04465	1.3
113.02433	15.1
117.03417	1.2
119.03490	0.9
119.05016	6.2
121.02971	2.7
121.06500	0.7
123.04499	2.8
125.02496	0.8
125.06087	1.3
127.04027	5.8
130.08737	1.7
132.02165	2.1
133.02936	40.6
134.03796	3.0
135.04509	17.8
137.02431	1.4
137.06049	3.4
139.00381	3.1
143.03450	1.4
145.02953	1.1
147.04462	0.7
148.80888	0.7
149.02400	1.5
149.06041	1.3
151.00296	4.1
151.03949	1.5
151.07625	8.9
151.08757	0.8
152.03468	1.8
152.07893	0.6
153.01901	1.7
153.05595	1.7
160.01585	1.0
161.02422	100.0
162.02750	4.3
163.03954	4.3
163.28354	0.6
166.05127	0.7
171.03012	1.2
175.03995	2.6
177.05463	1.0
179.03476	10.3
189.01918	1.7
193.05026	2.4
195.06593	7.6
199.03966	1.9
201.01967	0.8
221.04527	1.6
239.05377	0.7
243.03069	0.7
251.05551	0.8
256.03995	0.8
257.08032	1.1
275.09286	1.2
284.03265	0.7
285.04004	89.5
286.04343	5.9
291.08701	26.9
292.09045	1.8
315.12381	8.2
317.10220	7.4
323.12451	2.7
323.16031	0.6
327.08710	1.5
359.11313	4.9
419.13461	1.8
461.16510	7.4
462.16721	1.1
477.19452	0.7
623.19769	61.5
623.36908	2.0
624.20056	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	623.1973
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
57.03433	1.3
59.01373	31.3
60.26199	0.4
61.98825	1.5
65.03947	0.7
67.01875	3.6
68.99809	9.2
69.03444	1.0
69.80125	1.5
69.80541	0.8
71.01369	8.1
72.99284	0.5
73.02940	2.6
73.55933	0.5
83.01376	1.4
84.02136	0.7
85.02431	0.6
85.02941	11.7
87.00877	1.3
88.98779	0.8
89.02421	3.1
91.05531	1.4
93.03428	4.7
95.01368	3.6
95.05054	0.7
96.95996	6.8
97.02942	0.5
99.00897	0.9
99.04479	1.1
101.01762	1.0
101.02431	20.4
105.03451	0.5
107.05005	1.3
109.02935	1.0
111.00870	10.3
111.04522	1.5
113.02435	13.4
116.88677	0.5
117.03456	2.0
119.03554	0.8
119.05020	10.3
121.02941	4.9
123.04500	1.5
125.02454	2.0
125.06071	1.9
127.03991	9.9
132.02164	1.9
133.02937	33.4
134.03445	1.1
135.04504	16.0
136.04836	0.7
137.02432	1.7
137.06062	4.2
139.00362	4.7
143.03477	1.5
145.02957	0.7
145.62355	0.5
149.04520	0.6
149.06017	0.5
151.03990	1.7
151.07629	16.5
152.07965	0.6
153.01941	2.4
153.05539	2.3
161.02419	100.0
162.02800	3.8
163.03976	5.3
171.02907	2.9
177.05557	1.1
179.03474	11.7
180.03876	0.7
184.67076	0.6
189.01935	3.4
195.06602	14.5
196.07022	0.8
207.02831	0.5
219.71989	0.5
221.04506	1.4
239.05548	1.1
257.08109	2.3
275.09201	1.9
291.08704	44.7
292.09131	2.9
315.12372	14.6
316.12628	1.3
317.10233	12.2
318.10513	0.9
327.08743	1.7
357.73083	0.5
359.11270	8.1
384.72333	0.5
419.13562	2.5
461.16528	7.6
462.17627	0.9
623.19714	52.7
624.20038	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	623.1974
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
51.04603	0.2
52.63754	0.2
57.03454	0.7
58.00586	0.3
59.01370	5.0
61.98827	0.8
70.92717	0.7
71.01374	5.9
73.02943	0.5
78.85751	0.3
78.95882	1.9
85.02942	6.6
86.03343	0.3
87.64598	0.3
89.02432	2.1
95.01383	2.5
96.95996	2.1
96.96966	0.4
101.02406	1.4
105.03458	0.4
113.02438	12.7
113.03239	0.7
117.03440	0.7
119.03483	0.7
119.05014	0.4
123.04490	1.5
132.02142	2.1
133.02942	35.2
134.03346	1.2
135.04514	13.4
136.04819	0.7
143.03474	0.3
152.99548	1.0
153.05531	1.1
161.02426	100.0
162.02731	4.0
179.03442	3.3
180.03708	0.5
189.45615	0.3
201.31322	0.3
225.66960	0.4
241.01059	0.5
281.47177	0.3
289.17960	1.6
291.08783	0.4
297.09702	0.5
308.31918	0.3
315.10843	0.6
461.10483	0.5
461.16559	7.9
462.16727	1.0
530.10309	0.3
563.87396	0.4
615.27362	0.3
623.19501	53.5
624.19879	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	623.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56728	0.4
50.77973	0.4
51.40508	0.4
57.03428	1.5
59.01093	0.6
59.01372	9.8
66.80890	0.4
69.93760	0.9
69.94166	0.9
71.01375	17.5
72.99265	0.7
73.02920	0.6
78.95889	0.5
83.01396	0.4
85.02940	18.6
87.00860	0.8
88.51337	0.4
89.02425	6.8
95.01373	8.0
101.02414	3.5
113.02435	41.4
114.02766	1.4
119.03481	1.4
123.04510	1.8
134.81044	0.5
135.04509	30.6
136.04808	1.0
143.03534	1.0
153.05537	1.9
156.23340	0.4
157.28792	0.5
159.96191	0.4
161.04535	2.2
196.82681	0.5
257.42734	0.5
297.09747	1.3
315.10864	3.6
324.97452	0.4
461.16553	100.0
462.16953	9.0
623.21869	7.7
624.21991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22916	0.6
55.01844	0.7
57.03419	1.0
58.00551	1.2
59.01374	16.5
59.83047	0.6
70.76025	1.8
71.01376	24.5
72.99272	0.6
73.02898	2.0
74.55983	0.6
81.03410	0.8
83.01357	1.3
85.02943	18.7
87.00828	1.7
88.92165	0.6
89.02438	13.6
95.01376	8.8
96.95980	0.8
97.02888	1.0
99.00844	0.6
101.01885	0.6
101.02437	7.0
107.71784	0.6
113.02435	44.3
119.03495	4.3
123.04480	3.4
124.57857	0.6
125.02371	1.9
131.03493	0.8
135.04509	35.8
136.04813	1.1
143.03445	2.0
153.05560	4.2
158.78546	0.7
161.00995	1.1
161.02350	2.0
161.04498	3.8
179.05643	1.1
196.26653	0.6
221.06496	1.0
226.71503	0.6
267.64703	0.6
293.36780	0.6
297.09766	1.5
315.10818	4.8
426.73764	0.6
461.16565	100.0
462.16940	9.5
477.15933	1.2
553.16724	0.6
623.21838	39.0
624.22363	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	623.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
58.00589	0.8
59.01372	13.4
61.98857	1.1
69.68355	4.6
71.01375	21.1
71.01760	1.3
72.99304	0.8
73.02946	2.9
78.37798	0.7
78.95907	0.7
80.02678	1.9
81.06197	0.7
85.02945	7.0
89.02434	8.0
95.01396	3.0
95.05023	8.7
96.96015	1.6
101.02451	5.6
107.05028	1.8
109.06615	1.1
111.13780	0.7
113.02435	15.8
115.00337	9.0
119.03499	2.6
119.04980	4.4
121.06577	1.3
123.04523	1.1
132.02159	1.0
133.01430	1.5
133.02942	36.7
134.03340	1.3
135.04503	15.2
136.04855	1.0
137.06108	1.4
161.02425	100.0
161.09697	1.2
162.02797	4.6
163.11267	17.7
179.03476	3.8
181.12329	3.1
207.10190	2.0
221.25246	0.8
225.11288	21.1
226.11598	1.0
284.47714	1.0
315.10596	1.4
361.12885	1.7
461.16638	7.9
507.22260	75.3
508.22595	9.9
562.91949	1.0
623.19617	53.7
624.20062	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	623.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.9
59.98512	0.4
61.98821	0.9
71.01377	4.9
72.99293	0.6
73.02941	1.1
79.75072	0.3
81.38206	0.3
83.01400	0.4
85.02946	1.6
89.02441	3.8
89.03953	0.4
89.24484	0.4
91.05526	0.3
93.03428	0.4
97.02954	0.5
98.20744	0.5
99.00852	1.8
101.02412	1.6
105.03497	0.4
107.05042	2.0
107.23244	0.3
113.02452	2.6
117.03446	1.3
121.02939	0.7
123.04520	0.5
125.02418	1.8
132.02170	1.1
133.02945	21.6
134.03752	8.5
135.04512	100.0
136.04852	3.9
137.02431	1.2
139.44125	0.3
148.05315	0.4
149.06036	0.8
159.04512	0.7
160.01657	0.9
161.02425	68.0
162.02737	2.8
167.10704	1.5
175.03998	0.5
177.01871	0.6
177.05556	1.2
178.02663	1.5
179.03473	65.0
180.03792	2.8
193.05099	2.2
203.03520	0.7
207.06557	0.9
221.04506	4.8
250.05284	0.3
251.05554	4.5
285.04160	0.8
293.06705	2.1
311.07645	5.2
338.69208	0.4
353.08707	17.9
354.09158	1.1
383.09756	6.2
384.10278	0.4
395.09851	2.8
397.51743	0.3
413.10812	7.8
414.11133	0.6
437.10861	1.1
455.11880	84.0
456.12204	7.6
461.16534	1.9
473.13016	2.1
473.18951	0.4
563.30383	0.4
585.25812	0.7
623.19122	7.4
624.19098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47623	2.1
54.46300	1.6
54.47966	1.9
58.61686	2.0
59.01355	2.7
61.98826	3.7
69.91128	9.7
71.01427	1.9
86.58835	2.2
97.84505	2.0
103.00385	3.5
106.06635	3.1
133.02954	8.2
161.02431	18.7
232.30313	2.3
335.08917	2.0
419.22174	12.4
420.22791	2.9
432.23233	13.9
433.23880	9.1
443.22336	2.6
447.25546	49.1
448.25931	8.6
457.23856	6.6
460.22675	16.0
461.16925	3.7
461.23312	8.5
474.20663	8.0
475.18353	4.4
475.24960	67.8
476.18561	8.9
476.25391	18.0
488.22156	4.3
490.20102	7.0
491.20486	17.8
492.25653	3.6
503.24466	18.2
519.23639	6.3
520.24652	4.1
524.23663	2.4
535.27069	3.7
547.23383	43.9
548.23956	6.1
564.23669	100.0
565.24054	16.2
579.25861	6.0
591.22205	3.9
623.10645	2.3
623.26111	24.5
624.25629	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	623.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.2
59.01369	1.4
61.98818	0.4
71.01379	2.5
72.99324	0.3
73.02943	0.6
75.00876	0.1
83.01385	0.5
85.02941	1.4
86.64380	0.2
87.00881	0.3
89.02454	0.8
89.03950	1.0
95.01382	0.3
96.96043	0.4
99.00876	0.5
101.02416	1.5
104.12916	0.2
106.04227	0.4
107.05005	0.3
113.02417	1.5
117.03444	4.2
119.80907	0.2
123.04501	0.3
132.02153	3.3
133.02951	2.3
134.03722	77.1
135.04402	2.5
137.02391	0.4
149.06065	6.6
154.02374	0.2
160.01634	11.7
161.02428	7.2
161.04494	0.4
162.02753	0.3
175.03975	10.0
176.04364	0.4
178.02646	0.5
179.03487	1.6
193.05023	100.0
194.05351	3.9
252.44368	0.2
285.03952	0.4
296.32629	0.2
349.02087	0.2
353.08859	0.3
447.22296	0.2
455.11685	1.5
456.12256	0.2
461.16568	0.6
533.33710	0.2
563.30353	0.2
623.19202	2.7
623.27014	7.0
624.19458	0.5
624.28326	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	623.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21031	0.2
57.95153	0.2
59.01374	3.7
61.98852	0.4
62.47802	0.3
69.03445	0.4
71.01380	3.4
71.61961	0.5
73.02936	0.4
73.79279	0.2
85.02934	1.8
87.00865	0.4
89.02438	2.0
89.03940	1.5
95.01386	0.7
95.07890	0.2
96.96001	1.0
99.00869	0.7
101.02424	1.5
106.04256	0.4
113.02422	2.8
117.03453	5.0
119.03519	0.5
119.04976	0.3
132.02145	3.1
133.02946	6.1
134.03726	77.7
135.04425	3.4
137.02420	0.7
149.04630	0.3
149.06059	7.1
156.44066	0.2
160.01636	10.5
161.02426	16.7
162.02670	0.4
165.01999	0.3
165.05530	0.4
166.02699	0.4
175.03987	9.0
176.04297	0.3
178.02631	0.6
179.03513	1.4
180.04037	0.3
181.05035	1.1
193.05028	100.0
194.05376	3.8
251.16406	0.3
285.03958	0.9
303.86728	0.2
414.00662	0.3
461.16272	1.1
478.91809	0.3
516.42963	0.3
623.19397	8.4
623.27289	5.4
624.19501	0.8
624.27631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03443	2.2
57.77618	0.3
58.00591	1.3
59.01371	18.8
61.98818	1.0
63.53888	0.3
69.03439	1.1
71.01372	37.9
71.61691	0.2
71.62068	0.3
72.01718	0.7
72.99303	2.0
73.02937	14.4
75.00867	1.2
79.68796	0.2
81.03465	0.4
83.01382	4.3
84.02135	0.4
85.02942	17.3
86.00086	0.5
86.03230	0.2
87.00864	2.4
89.02435	12.8
89.03936	0.5
94.02302	0.3
95.01373	3.0
96.96030	0.4
97.02917	1.9
99.00863	6.7
99.04508	0.4
101.02434	21.8
102.02797	0.5
111.00838	1.9
113.02435	15.0
115.03974	1.0
117.03448	2.0
119.03504	1.3
123.04510	0.5
125.02422	2.5
129.01953	0.6
131.03516	1.4
132.02153	1.6
133.02943	6.3
133.97244	0.3
134.03732	34.2
135.04442	2.3
137.02385	0.3
143.03491	1.2
149.04674	1.7
149.06046	2.8
159.02936	1.7
160.01631	5.1
161.02432	17.1
161.04439	3.4
162.02750	1.0
173.04684	0.4
175.03983	4.5
176.88797	0.3
179.03470	1.1
181.05046	0.7
191.05655	0.4
193.05031	45.5
194.05363	2.6
197.73685	0.3
224.59116	0.3
233.06654	0.9
246.17685	0.2
267.23166	0.4
275.07742	0.4
283.26450	0.8
285.04135	0.5
293.08740	0.5
329.30573	0.9
339.30923	0.3
378.82797	0.3
411.73929	0.3
461.16544	1.2
491.35815	20.8
492.36215	2.6
623.18848	8.0
623.39984	100.0
624.20093	1.3
624.29333	0.7
624.40326	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	625.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
63.27097	0.4
65.00332	0.6
66.86573	0.4
67.01878	1.2
68.99807	0.8
69.34076	4.1
71.01382	1.7
72.90683	0.6
78.14957	0.4
83.01402	0.5
85.02941	0.5
88.49077	0.4
88.87975	0.4
89.02438	2.5
95.05026	4.3
96.96008	1.4
101.02431	3.7
107.01404	1.7
109.02940	1.1
111.00842	0.6
113.02441	1.3
119.03490	1.2
121.02953	2.7
123.04533	0.6
126.26589	0.4
127.03979	4.0
133.02988	0.4
135.04536	0.6
139.00394	2.9
139.04002	1.4
148.83255	0.4
149.02469	0.6
151.00357	7.6
161.04500	0.7
163.00409	0.7
165.05620	0.5
169.15970	0.4
171.04492	1.0
175.00383	0.8
178.99860	1.6
179.05598	2.0
183.04506	0.8
189.05402	0.4
193.01389	0.6
199.03989	2.5
201.01892	1.0
203.03348	0.6
215.03455	1.4
223.06116	1.4
224.86104	0.5
226.02698	0.6
227.03453	3.1
238.88889	0.4
238.98048	0.5
241.07150	7.6
243.02924	4.5
245.04485	0.8
254.02214	0.6
255.02866	2.1
271.02435	53.5
272.02911	3.4
299.01923	100.0
300.02524	16.0
301.03479	42.6
302.03809	3.3
313.03589	1.2
343.04578	1.0
403.12579	3.0
462.07971	21.1
462.14462	1.0
463.08725	33.7
464.08917	2.8
505.09753	1.0
601.98962	0.5
625.13983	88.6
626.14380	11.2
637.98578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1402
Annotation	Quercetin 3-gentiobioside
Peak:m/z	Relative Intensity
59.01119	0.6
59.01366	3.1
65.00314	0.9
70.40215	2.0
74.91379	0.6
83.01358	0.8
85.02943	0.7
89.01264	0.5
107.01402	1.9
108.02155	1.4
121.02902	0.6
148.01697	0.9
151.00363	5.4
156.63145	0.6
161.02434	0.7
163.00436	0.9
164.01123	1.2
175.52419	0.6
178.99828	4.8
196.88362	0.6
199.03970	0.8
226.02681	1.5
227.03427	2.9
236.84505	0.7
239.09248	3.5
243.02939	9.7
244.03296	0.7
254.02168	2.7
255.02954	23.7
256.03314	1.6
262.60754	0.6
271.02429	58.4
272.02921	4.4
299.01880	2.4
300.02704	100.0
301.03271	13.2
308.47110	0.6
325.03421	0.6
396.39844	0.6
625.13965	69.7
626.14374	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61507	4.6
59.01374	71.3
68.99797	8.6
69.03445	29.7
70.39572	18.7
71.01377	41.6
83.16807	4.4
85.02954	9.2
89.02440	57.0
95.01364	5.5
95.05016	27.1
101.02448	32.3
108.52477	4.6
111.00849	17.6
113.02424	14.6
119.03491	19.0
121.02949	84.7
123.04485	19.0
127.03979	10.3
137.05989	6.1
139.00388	9.4
149.02396	8.0
161.04570	5.2
162.02687	6.1
165.05522	17.6
176.50314	4.8
179.05577	38.2
179.07039	8.2
211.37950	5.3
223.06052	29.1
234.90575	5.0
285.56421	5.5
371.09677	21.7
403.07681	8.3
403.12460	100.0
409.21292	6.8
552.62799	6.6
586.87292	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	625.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70167	2.2
58.00581	3.6
59.01371	95.7
61.47188	2.0
68.99805	14.9
69.03118	3.1
69.03432	16.8
69.26336	22.9
69.26628	2.0
70.25261	2.2
71.01372	60.8
72.99306	3.3
85.02938	13.5
87.00855	6.0
89.02435	92.1
95.01364	5.1
95.05023	6.7
96.95985	5.9
101.02438	53.9
113.02442	27.7
119.03482	29.3
121.02938	17.7
123.04510	4.0
127.03963	3.6
131.03470	4.6
139.00357	3.2
139.88419	2.1
143.03468	9.3
150.92073	2.7
153.05524	4.5
161.04610	11.5
163.03975	4.0
175.60576	2.3
179.05592	63.6
179.07138	5.3
181.04990	4.2
197.08069	4.1
223.06084	41.9
241.07199	2.7
265.07269	3.2
271.02472	6.3
299.01849	10.4
301.03452	6.8
307.13791	2.5
359.13248	5.0
371.09396	3.0
403.12399	100.0
404.12833	5.1
445.28546	2.7
625.15009	7.5
649.46143	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	625.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82437	0.6
55.01895	0.7
57.03431	1.0
59.01374	16.6
61.83683	0.8
61.98829	1.0
69.49167	0.7
71.01376	20.0
72.99290	2.0
73.02937	2.7
75.00872	1.2
83.01370	1.5
85.02945	15.0
87.00837	0.8
89.02430	10.2
90.02781	0.7
93.03455	1.5
95.01370	5.6
95.01881	0.9
95.05020	0.8
99.00886	2.0
99.16174	0.7
101.02443	6.3
103.04019	1.3
105.01955	0.8
109.02945	3.9
109.06567	1.6
113.02439	30.6
115.00307	1.0
119.03448	2.0
119.04999	2.9
121.02942	8.0
123.04501	8.0
125.02432	1.7
133.02982	3.5
134.03665	2.7
135.04515	29.0
136.04868	1.3
137.02408	1.0
137.06071	12.9
143.03508	1.4
149.04579	0.8
149.06091	1.4
150.03207	0.8
153.05571	12.2
153.09210	1.8
155.10779	1.4
160.01636	2.8
161.02431	11.8
161.04549	2.1
162.02794	5.4
163.04028	6.6
175.03986	3.2
176.04329	1.0
179.03436	1.4
181.05048	27.5
182.05350	1.5
193.04997	3.5
197.08134	3.2
199.09752	1.2
221.04495	0.8
223.06097	1.9
242.15256	0.9
243.06424	0.8
244.06900	1.1
245.22386	0.7
285.33072	0.7
297.09760	1.9
299.09158	0.7
301.03458	1.6
315.10913	3.4
343.11530	0.8
403.13718	2.1
444.94827	0.7
447.15018	0.9
448.15231	2.4
449.15665	3.8
461.16571	7.3
462.16418	1.2
463.08679	0.8
463.16385	1.4
477.19476	0.8
479.15576	1.4
509.22226	3.7
625.21228	100.0
626.21631	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	625.2128
Annotation	Salicifolioside A
Peak:m/z	Relative Intensity
54.17106	1.3
56.81828	1.1
57.03449	2.8
59.01374	25.5
61.98821	5.4
67.36903	1.1
68.93289	1.3
69.03447	1.7
69.40136	11.4
71.01377	32.9
72.99300	1.5
73.02940	3.7
83.01398	2.9
85.02940	32.2
86.03275	1.5
87.00852	6.5
88.98807	2.4
89.02431	19.9
89.02931	2.2
93.03452	6.4
95.01373	11.8
96.96011	3.9
99.00879	2.3
101.02456	6.2
102.52267	1.2
108.02139	1.4
109.02921	1.4
113.02434	73.0
114.02701	1.3
117.03452	3.8
119.03601	3.5
119.05014	91.3
120.05357	2.9
121.02947	19.0
123.04502	9.7
125.02471	2.8
131.03520	2.0
133.02937	6.1
134.03735	3.9
135.04510	42.3
136.01678	2.2
137.02402	4.2
137.06032	1.6
137.09793	1.3
139.04010	6.7
143.03494	3.0
145.02946	14.2
147.04524	1.6
149.02423	17.6
149.06061	2.0
150.03258	2.0
150.35196	1.4
151.04024	4.7
153.05553	2.7
161.02458	14.1
161.04570	5.9
162.02792	2.7
163.04010	19.6
165.05545	1.4
165.07257	1.4
173.04515	8.7
175.04048	2.0
179.03535	6.2
179.05563	1.8
181.05113	4.1
193.05161	1.8
209.04643	1.7
237.95779	1.3
255.02933	2.8
257.74796	1.4
271.02554	5.2
297.09485	2.2
299.01935	3.2
300.02664	8.5
301.03479	13.1
301.10834	3.5
315.10886	3.3
343.12006	2.2
403.14056	4.1
445.16550	1.9
461.16577	24.9
462.17007	3.2
463.08948	4.2
503.17688	10.5
595.20129	22.0
596.20178	2.5
607.20288	21.2
608.20996	2.6
625.21619	100.0
626.21704	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03437	3.3
58.00570	1.6
59.01374	29.6
59.35289	1.3
61.98811	2.7
69.94769	1.2
71.01375	42.1
71.61298	1.1
72.99300	3.5
73.02937	4.7
83.01378	2.8
85.02941	33.5
87.00881	4.4
88.98779	7.4
89.02435	20.1
93.03431	3.6
95.01368	13.8
96.95999	3.3
97.02946	1.8
99.00855	1.7
101.02438	10.9
105.01922	1.4
113.02438	81.0
117.03456	17.5
118.00671	1.1
119.03524	4.9
119.05009	84.2
120.05363	2.5
121.02938	48.6
123.04495	5.7
124.01651	2.0
125.02436	6.9
133.02933	6.6
134.03716	3.6
135.04509	68.1
136.04837	2.8
137.02446	6.6
137.09726	2.0
143.03493	3.5
145.02940	72.7
146.03273	2.5
147.04451	1.7
149.99565	2.6
150.03232	1.9
153.05565	5.0
155.10760	2.6
160.01750	1.8
161.02438	15.8
161.04515	7.6
161.05782	2.0
162.02773	3.7
163.03987	21.6
164.04408	1.2
165.05495	1.7
168.00629	6.2
173.04509	1.4
175.04022	3.3
177.05627	1.7
179.03464	4.7
181.05023	2.7
191.03568	2.1
191.05573	1.7
193.05040	1.9
199.09717	1.7
209.04512	2.8
235.06081	2.1
292.32175	1.2
297.09991	3.4
300.02774	2.9
301.03397	1.8
315.10867	7.2
337.09662	1.3
349.09973	1.3
461.16586	40.7
462.17087	4.0
463.11813	2.9
503.17639	38.2
504.18033	3.2
565.28528	2.0
607.20215	72.4
608.20612	9.7
625.21460	100.0
626.21826	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	625.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	2.6
59.27541	0.8
69.40267	6.8
71.01360	3.4
78.95889	12.6
85.02921	2.2
85.18054	0.8
89.02427	1.9
95.01373	1.3
113.02439	7.6
114.02744	1.1
119.05005	88.9
120.05339	2.1
123.04444	1.0
135.04469	3.8
136.04820	1.8
158.88538	0.8
161.02399	2.0
163.03979	100.0
164.04346	5.0
173.18881	0.8
267.09955	4.2
283.09399	3.8
325.09183	15.3
403.12341	1.2
435.07086	1.0
461.16446	3.2
462.16696	4.1
463.17126	13.8
488.19559	1.0
516.61713	0.8
548.99866	0.8
625.22443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04032	1.4
59.01091	2.8
59.01371	42.9
67.01874	6.1
68.99810	8.8
71.01390	3.9
78.95891	3.1
85.02935	2.1
89.02401	1.9
93.03437	8.1
96.95977	2.0
99.00857	6.9
101.02434	8.9
113.02425	2.6
116.92815	1.9
119.05028	4.1
127.04012	17.6
133.02922	2.7
135.04475	3.2
137.02391	7.4
145.08965	1.5
149.41335	1.6
151.07617	9.7
152.99570	3.9
153.05550	31.4
161.02457	7.6
162.02792	3.5
163.04010	7.6
179.03461	10.1
195.06589	100.0
196.06958	3.7
234.12932	1.4
239.05582	28.0
343.08105	1.7
375.10724	6.0
384.79465	1.9
463.21326	3.0
502.17041	1.6
625.19031	4.1
625.27637	3.2
625.36932	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60217	0.3
54.20816	0.3
59.01372	100.0
60.01707	0.8
61.98820	1.6
67.06168	0.3
67.82801	0.3
68.99574	1.0
71.01370	2.3
71.62727	0.4
73.02930	0.6
77.10368	0.3
83.01443	0.4
85.02962	1.1
89.02435	0.7
96.96021	0.8
101.02438	1.2
112.98571	1.1
113.02453	1.0
113.18842	0.4
123.04485	0.4
133.02959	1.5
134.03723	1.0
135.04510	4.5
151.04025	0.8
161.02414	4.2
161.04512	0.4
162.02795	0.9
163.04065	0.7
179.03479	7.8
180.54684	0.4
193.04942	0.4
193.08670	1.1
194.05815	5.1
209.08150	10.5
209.09995	0.7
210.08394	0.4
313.73047	0.4
353.08832	0.7
376.14157	0.3
403.17636	0.7
455.11902	4.1
463.32816	0.9
584.98962	0.4
625.20917	0.5
625.37598	3.2
626.37744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92449	0.4
59.01372	7.2
61.98824	7.5
66.51208	0.5
69.03423	0.4
71.01373	4.8
72.99287	0.6
73.02947	1.5
83.01425	0.6
85.02930	1.7
86.76993	0.5
87.00892	0.5
89.02446	2.6
89.03973	0.4
91.05527	0.8
92.42376	0.4
93.03432	0.5
96.55611	0.5
96.95982	0.6
97.02884	0.6
99.00887	1.6
101.02438	3.8
107.05045	2.7
111.00893	0.5
113.02425	2.3
117.03484	1.3
119.05047	0.9
123.04493	0.7
132.02147	1.0
133.02940	17.6
134.03754	7.9
135.04506	100.0
136.04829	3.0
160.01680	0.5
161.02419	45.0
161.04539	1.2
162.02791	2.0
163.03989	0.6
179.03468	56.0
180.03809	2.5
193.05142	0.6
205.03610	1.1
269.04477	0.6
284.03146	0.9
285.03989	3.5
286.04208	1.1
287.04620	1.1
328.05109	0.6
367.78751	0.5
397.91479	0.5
402.16388	0.6
403.16882	0.6
424.80737	0.5
434.94147	0.5
625.24896	74.7
626.25250	10.6
626.32819	0.3
630.67584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.01371	5.2
61.98820	1.1
69.27895	2.6
71.01376	3.4
72.99295	0.3
73.02943	1.3
85.02940	1.1
86.35782	0.3
87.00885	0.4
89.02439	3.8
89.03951	0.6
91.05531	0.8
93.03480	0.5
95.01364	0.4
95.05035	0.3
96.96023	0.5
97.02940	0.3
99.00862	1.9
101.02448	2.0
105.03458	0.4
106.04300	0.3
107.05020	1.8
113.02432	1.5
117.03452	1.4
117.41547	0.3
119.03496	0.7
119.04999	2.0
123.04530	0.3
125.02402	0.4
131.03372	0.3
132.02177	1.0
133.02945	18.5
134.03754	8.5
135.04509	100.0
136.04839	3.6
137.02454	0.4
143.60541	0.3
151.04048	0.3
160.01563	0.3
161.02425	45.4
162.02747	2.4
163.04037	1.4
178.32457	0.2
179.03476	54.9
180.03827	2.0
181.05022	0.7
191.05679	0.6
193.05083	1.2
199.07602	0.3
230.66585	0.3
235.95772	0.3
274.80371	0.3
429.17685	0.5
594.06519	0.3
625.24969	66.3
626.25354	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	625.2493
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
59.01367	4.5
61.41983	0.3
61.98820	2.3
65.03963	0.3
69.35171	0.4
69.35480	3.0
71.01366	3.9
73.02931	1.0
85.02945	1.3
87.00864	0.3
89.02438	2.9
89.03967	0.7
89.17632	0.4
91.05523	0.8
93.03455	0.4
96.96001	0.4
99.00871	1.2
101.02439	1.5
103.19780	0.3
105.03450	0.3
107.05018	2.1
109.70498	0.3
113.02428	1.5
115.01895	0.4
117.03469	1.9
119.03505	0.6
119.04971	1.6
121.02847	0.3
123.04508	0.5
131.03494	0.4
131.88959	0.3
132.02173	1.4
133.02943	18.8
134.03746	8.8
135.04509	100.0
136.04834	3.7
137.02425	1.1
145.02922	0.4
154.94565	0.4
161.02426	48.1
162.02719	1.9
163.04018	2.3
166.02641	0.3
178.02707	0.3
179.03477	56.2
180.03839	2.3
181.05093	1.0
191.05606	0.5
193.05058	0.6
264.63373	0.3
285.03824	0.4
433.06879	0.3
563.17700	0.9
586.73828	0.3
625.24921	68.9
626.25323	10.3
626.35736	0.4
631.99432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2491
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
57.03425	1.2
59.01089	1.4
59.01371	21.7
59.01671	1.1
61.98821	4.8
71.01374	6.5
72.99307	0.7
73.02942	2.1
76.45245	0.7
83.01387	0.9
84.95555	0.7
85.02929	3.4
87.00912	0.7
89.02445	2.7
95.01355	1.3
96.95980	1.4
98.19895	1.7
99.00888	1.1
99.04497	4.2
101.02437	5.4
107.05013	2.4
108.02133	0.7
113.02465	3.4
113.03122	0.8
117.03458	2.5
119.05035	1.6
121.02969	0.6
123.04457	1.2
132.02148	2.6
133.02930	20.1
133.03859	1.3
134.03726	25.0
135.04504	93.1
136.04839	3.3
137.02426	0.7
139.03917	0.7
139.91385	0.7
147.04535	3.3
148.05321	2.4
149.06047	4.0
150.03185	0.8
153.05524	0.8
153.09164	1.1
160.01631	6.8
161.02423	50.8
162.02774	2.8
163.04016	3.3
165.12769	2.2
175.03955	10.0
176.04759	8.4
177.01917	2.3
177.05385	1.1
178.02644	3.1
179.03471	52.5
180.03755	2.1
191.07133	11.0
192.04158	0.8
193.05022	20.1
195.68185	0.7
197.07954	0.7
207.06618	3.4
207.13847	3.9
209.11794	11.6
217.04999	0.7
220.03777	2.0
225.14920	2.3
229.66473	0.8
235.06081	21.1
236.06303	0.7
251.12860	2.6
265.07162	6.1
269.13885	61.3
270.14084	3.1
281.06766	0.9
295.08154	7.1
299.08359	0.8
341.08633	0.9
355.10355	4.1
449.20200	5.7
625.24982	100.0
626.25323	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	625.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03445	0.6
58.00609	0.4
59.01375	8.7
60.92894	0.3
61.98827	11.0
68.24036	0.3
69.03448	0.5
71.01376	9.1
72.99273	0.8
73.02934	2.2
75.00858	0.7
83.01379	1.1
85.02947	3.2
86.00079	0.4
87.00877	1.3
89.02431	4.5
89.03934	0.6
91.05540	0.6
93.03443	0.8
95.01374	0.5
95.05001	0.4
96.96007	1.5
97.02934	0.3
99.00861	1.9
101.02435	5.6
105.03400	0.4
106.04245	0.5
107.05025	1.8
108.02139	0.3
111.00870	0.7
113.02431	4.1
114.02778	0.5
117.03454	1.7
119.03486	1.0
119.05052	0.8
120.99676	0.3
121.02944	0.3
121.06576	0.5
123.04494	1.2
125.02445	0.5
131.03520	0.6
132.02185	0.8
133.02950	17.1
134.03764	10.3
135.04514	100.0
136.04834	3.1
137.02414	0.8
143.03423	0.4
145.02936	0.6
149.04478	0.4
149.06068	0.8
151.00168	0.3
153.05573	0.9
159.03014	0.5
160.01602	0.5
161.02429	46.8
161.04591	1.2
162.02753	3.1
163.02835	0.5
163.04016	1.3
165.05545	0.5
175.03943	1.0
179.03482	55.6
180.03783	2.2
193.05055	4.6
195.06543	0.3
197.08194	0.7
206.37535	0.4
255.02881	0.8
283.02533	0.4
285.03964	0.6
286.04044	0.4
449.44022	0.4
463.16803	0.4
463.32471	1.1
578.89380	0.4
625.24750	70.6
625.37573	16.1
626.25067	10.4
626.38043	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29370	1.8
55.01874	1.9
57.03434	2.6
58.85388	1.7
59.01373	43.6
61.98813	6.0
66.85712	2.1
68.14214	1.7
70.79160	2.8
70.79488	3.8
71.01379	29.9
72.99292	3.2
73.02914	2.3
79.05527	11.5
83.01375	7.3
83.05031	2.9
84.02119	1.9
85.02941	19.3
89.02420	14.8
95.01376	7.5
96.96023	2.4
99.04509	5.8
101.02438	11.8
105.07077	4.9
107.05017	9.1
107.08675	2.3
109.06549	3.1
109.85535	1.9
111.00867	7.8
111.04504	2.3
113.02437	44.9
113.03214	2.6
119.03485	6.2
119.08636	2.0
121.06573	4.0
125.06082	3.7
131.04945	2.5
131.08646	2.2
133.02924	3.8
133.10207	3.1
134.03577	1.7
135.04512	4.6
143.08627	3.9
145.10223	4.7
147.11758	8.5
149.05986	2.8
151.07648	4.6
155.08664	3.7
159.11752	5.5
161.02435	9.6
161.04527	5.3
162.02730	4.9
169.10176	6.5
171.11734	9.6
173.04533	2.0
173.13348	5.7
179.03407	2.8
179.05556	2.6
183.11763	2.5
185.13362	2.6
193.05132	3.0
195.11705	2.0
203.10744	8.1
215.10730	2.0
229.12186	5.0
237.16493	4.0
239.17969	5.9
251.17598	2.2
257.11685	2.8
265.15674	2.1
283.17038	4.5
331.24280	20.7
355.24353	2.8
357.22345	8.7
373.25238	7.6
375.23224	100.0
376.23474	10.3
399.23242	3.2
401.21103	17.0
417.24271	28.4
418.24539	5.2
419.22214	12.9
433.23581	2.9
443.22293	6.1
445.20105	34.5
446.20508	6.7
447.25363	4.8
461.16727	4.0
461.23166	31.7
462.23621	5.0
463.21451	16.7
491.24240	6.5
560.17889	2.2
625.19391	3.9
625.36548	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	625.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	56.3
71.01382	1.3
81.03432	1.3
85.02938	1.9
89.02410	1.0
90.71132	0.7
95.04995	1.1
96.95954	1.9
97.06562	1.9
97.45328	1.1
98.51825	0.7
101.02399	1.1
102.79021	0.8
109.06559	1.9
113.02423	2.0
133.02943	1.0
135.04474	1.9
135.08159	2.2
137.02440	2.3
137.06052	1.0
141.05534	4.5
151.11230	1.9
161.02412	5.5
162.02762	1.4
177.09151	2.6
179.07077	0.9
195.10213	24.4
195.18137	0.7
196.10490	1.0
239.09196	100.0
240.09557	5.6
257.06244	0.8
300.02750	1.1
319.57935	0.9
463.16885	0.9
625.21088	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	625.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03442	1.2
59.01373	28.3
60.01693	0.5
61.98824	4.4
67.05478	0.5
69.03444	16.1
71.01376	13.0
72.99281	1.0
73.02936	4.6
75.00891	0.6
83.01379	2.5
85.02940	17.3
86.03288	0.5
87.00822	0.8
87.33538	0.5
89.02452	2.8
95.01365	1.5
95.05013	4.7
99.00878	2.0
99.92140	0.5
101.02428	11.4
111.00849	1.1
111.04504	4.7
113.02426	7.1
114.02756	0.7
119.03474	0.8
119.05018	0.7
122.88764	0.6
125.02401	0.6
129.01921	0.8
133.02922	5.6
134.03264	1.8
135.04504	3.9
143.03360	0.6
159.02998	1.3
161.02428	14.8
161.04532	2.1
162.02753	4.9
163.02864	1.9
163.04079	1.0
179.03484	1.7
204.77071	0.5
229.63914	0.5
247.09790	0.5
267.12244	0.9
271.22678	0.9
297.24176	0.7
301.19946	0.7
382.16870	1.2
433.27939	7.6
434.28674	0.9
459.29456	5.6
462.17355	0.7
462.69604	0.6
463.18829	1.9
485.31232	1.3
563.38684	0.6
589.35675	3.6
590.35913	1.1
607.36719	1.8
625.22015	12.0
625.37939	100.0
626.21655	1.0
626.38306	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	625.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83045	0.3
55.01861	2.1
57.03450	1.6
58.00578	1.1
59.01372	21.3
61.98824	2.6
68.99834	0.4
69.03431	0.7
71.01372	23.4
71.62605	0.5
72.99301	2.0
73.02937	5.8
75.00850	0.8
83.01371	4.5
85.02947	11.2
86.00067	0.5
87.00852	1.7
89.02433	9.5
95.01365	2.3
96.95938	0.4
97.02940	1.0
99.00861	2.4
101.02431	17.5
108.02083	0.5
108.14122	0.3
108.23387	0.3
111.00886	2.8
113.02434	9.0
119.03493	3.2
119.04991	0.6
123.04451	0.6
125.02425	0.9
126.55444	0.3
129.01978	0.8
130.61308	0.3
133.02913	1.0
134.01126	0.4
134.03664	0.7
135.04489	0.7
141.01845	0.7
143.03465	0.8
150.06822	2.2
153.05623	0.4
159.02988	1.7
161.02441	2.7
161.04523	2.3
162.02745	1.1
163.04028	0.4
163.07678	0.4
179.03409	0.6
179.05617	0.8
179.10713	1.1
193.04994	0.6
248.08217	0.4
283.18994	0.5
290.01358	0.3
301.27405	0.9
462.15555	0.3
463.32675	12.4
464.32843	1.3
625.37909	100.0
626.38281	14.8
626.46045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.5
59.01363	6.2
61.98808	3.2
67.01866	2.4
68.99787	1.9
69.03447	5.7
71.01376	4.3
71.61860	1.6
73.02930	2.2
73.85468	1.3
81.03441	13.8
83.01369	13.3
85.02924	3.5
87.00871	9.6
88.98788	6.4
89.02454	2.3
93.03445	2.3
95.01383	3.4
95.05018	12.6
96.95984	6.0
97.02933	9.2
99.00852	2.5
99.04521	8.1
101.02394	2.8
107.04994	2.9
108.02200	1.7
109.02936	10.6
111.00871	14.8
111.04502	4.6
113.02425	5.5
119.05013	2.1
121.02935	6.2
121.60164	1.3
123.00856	2.0
123.04510	32.6
124.24681	1.2
125.02429	36.3
125.06114	1.4
127.03967	2.4
127.99232	1.2
131.03484	2.2
133.02937	22.1
135.00861	2.4
135.04480	5.2
137.02422	16.4
137.06075	3.8
139.04007	4.1
147.04504	3.0
149.02386	4.4
149.06010	2.0
151.04007	9.9
153.01857	2.8
153.05537	3.7
155.03467	2.1
159.04472	1.5
161.02367	3.8
163.03975	5.9
164.04759	2.9
165.01920	34.4
165.05534	5.4
166.02647	6.1
167.03482	50.7
176.04724	1.8
177.01894	9.6
177.05598	1.4
179.03494	21.0
179.07028	5.6
180.04250	22.3
181.05043	10.7
190.02553	2.2
191.03444	6.3
191.05400	2.2
193.01421	1.4
193.04977	3.8
194.05789	4.2
195.02855	1.7
195.06578	24.0
197.04527	13.4
205.05020	2.0
206.02119	2.8
209.04512	100.0
209.07813	3.6
210.05122	7.6
221.04552	6.6
222.05087	1.7
223.06102	2.2
225.07640	10.9
233.04591	1.8
235.02339	3.9
239.05571	68.9
240.05942	1.8
247.02277	1.6
249.07623	1.9
251.05537	6.1
264.06284	4.1
265.03650	1.5
265.07111	4.7
269.06622	28.0
277.03531	18.2
277.06491	2.6
281.06598	3.8
307.04520	10.9
311.07550	8.8
312.09982	1.4
327.12143	2.2
329.08728	18.7
337.05502	2.4
337.09201	3.2
341.08624	4.9
359.09821	4.2
375.14377	3.4
387.07178	64.4
388.07458	5.9
397.07764	3.1
399.07050	4.6
417.08145	32.5
418.08301	2.9
443.13544	3.4
447.09174	7.5
449.13153	6.9
489.10596	6.5
491.15469	19.5
492.15988	2.2
507.11420	30.2
508.11423	2.0
519.11151	2.2
537.12256	2.1
609.17438	2.9
627.19196	39.0
628.19299	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	627.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80249	0.2
54.75147	0.2
59.01387	1.2
61.98816	0.9
62.90498	0.2
64.13004	0.2
68.86185	0.2
69.50288	1.5
71.01378	0.4
75.69100	0.2
78.95896	0.6
79.95723	3.0
85.01961	0.2
89.02431	0.5
96.95998	100.0
97.93114	0.2
97.95948	0.3
101.02396	0.3
107.43603	0.2
113.02415	0.3
119.05022	0.4
133.18445	0.2
137.06058	0.2
138.19109	0.2
142.06595	0.7
146.06065	0.2
149.06087	0.3
152.99579	0.2
176.07191	0.3
220.02898	0.3
253.03894	0.2
270.08881	0.6
305.12869	0.6
333.25626	0.4
371.07330	0.3
377.24728	1.0
403.22781	0.3
421.23679	0.9
447.08807	0.4
464.21704	0.3
465.22623	3.0
529.19733	0.6
551.17926	0.3
567.14508	1.6
627.16510	1.4
627.27185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62852	0.6
53.16185	0.5
58.00591	0.6
59.01372	12.0
61.98825	1.7
69.35889	5.9
71.01371	9.0
72.99298	0.7
73.02933	1.5
85.02950	3.5
87.00872	1.0
88.01672	0.6
89.02434	8.3
95.01346	1.4
96.95996	5.1
98.20650	1.4
99.00859	2.7
101.02413	4.5
113.02441	10.7
117.03450	19.7
119.03513	2.1
119.05010	12.4
123.04528	1.4
133.02927	4.8
134.03690	1.4
134.21059	0.6
135.04509	14.8
136.04837	3.5
137.05080	0.9
137.06055	1.5
143.03500	1.0
145.02931	93.3
146.03278	2.5
149.04488	1.4
149.76903	0.6
153.05585	1.2
153.09175	1.0
161.02426	12.9
161.04552	1.2
161.06020	0.7
162.02759	1.8
163.02754	1.0
163.04004	13.1
174.66736	0.6
179.03448	8.3
180.03793	2.8
188.95322	0.9
191.05504	1.4
193.04951	1.3
202.94807	0.7
202.97144	0.7
337.09219	0.9
427.13635	1.0
445.15189	2.0
451.18073	1.0
465.19690	11.7
466.19949	1.1
495.18680	1.0
591.20709	100.0
592.20984	15.1
626.24957	1.6
627.24500	16.7
628.24799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11214	0.5
54.61210	0.5
59.01371	7.9
61.98825	38.8
69.03445	0.5
71.01365	2.4
71.62753	0.8
72.99308	0.5
73.02946	1.0
78.95915	0.5
79.95724	0.7
85.02956	1.0
88.98792	1.0
89.02438	2.8
89.03967	0.9
96.96003	18.4
96.96935	0.8
99.00888	1.7
101.02451	1.9
113.02472	0.9
117.03443	5.2
119.05012	0.6
125.02422	0.7
132.02139	2.3
133.02930	1.8
134.03729	82.6
134.56967	0.4
135.04578	6.9
136.04851	0.9
137.75032	0.4
139.11203	0.4
149.06059	7.7
151.00339	1.5
152.00745	0.9
153.09190	4.7
154.09563	0.7
160.01636	10.0
161.02425	3.8
162.02815	0.5
163.03951	0.8
175.03978	10.6
179.03506	3.2
179.05646	0.5
180.03882	0.6
191.05516	0.7
193.05032	100.0
194.05345	4.4
197.08157	5.7
198.08501	1.3
238.66545	0.5
284.03293	0.7
285.04016	3.0
286.04547	0.6
287.05048	1.3
288.05313	0.7
289.05853	0.7
327.05051	2.0
344.56659	0.5
357.06070	1.3
429.17456	0.7
472.35416	0.5
567.27136	1.1
591.20740	29.8
592.20947	4.4
627.16980	1.3
627.26312	6.9
628.26324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49149	0.8
59.01374	34.2
61.98819	10.3
65.00314	0.9
65.03962	1.5
65.83936	0.8
67.01881	1.5
71.01368	2.7
75.30210	0.9
85.95721	0.8
87.00836	1.9
87.09528	0.7
88.98790	3.0
89.02428	2.8
91.01888	22.6
93.03426	1.0
96.96002	5.7
101.02436	1.0
107.05011	1.4
108.02152	1.8
109.02193	1.7
109.02937	31.7
113.02438	0.9
121.02942	2.6
123.04482	1.3
133.02916	2.3
135.00867	94.6
135.04466	2.6
136.01228	2.5
137.02406	4.1
140.41051	0.9
149.02429	2.3
151.04005	1.6
153.01915	100.0
154.02228	2.6
161.02437	1.8
165.00706	1.0
165.01855	5.5
166.02672	1.0
173.04468	1.1
175.03926	2.3
177.01903	2.7
179.03391	2.8
179.07062	1.4
180.04247	4.6
185.15158	0.8
191.05568	1.5
195.06581	5.8
223.02698	0.9
225.07629	2.7
243.06584	7.3
297.06104	63.1
298.06396	3.3
315.10690	1.7
327.12372	1.2
375.14380	2.1
403.12680	1.1
405.11801	78.3
406.11975	7.2
420.30847	0.9
465.14075	1.0
491.15448	2.6
627.18921	9.6
636.00067	1.0
650.98749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
56.20514	0.6
56.64672	0.7
58.00584	1.9
59.01373	53.1
60.01715	0.7
61.98823	6.0
65.03915	0.6
65.38763	0.6
66.33924	0.7
67.01873	3.4
68.99809	5.0
69.35586	6.1
71.01376	23.9
71.94507	0.7
72.99303	1.5
75.00870	0.7
78.91853	0.7
79.87383	0.6
80.96540	0.7
81.03462	1.3
83.01383	1.2
83.04986	0.8
85.02945	7.5
87.00866	2.0
89.02434	32.8
93.03454	7.9
95.01381	4.0
95.04982	1.0
96.95991	5.3
98.06915	0.6
98.95585	1.3
99.00886	0.6
101.02431	19.6
105.01924	0.9
105.03446	1.9
107.05019	1.9
108.02150	1.6
109.02970	3.2
111.00870	9.0
111.04504	4.6
113.02446	10.3
117.03456	0.9
119.03491	13.1
119.05005	5.3
121.02968	3.2
122.03733	2.2
123.04517	27.6
124.04830	1.2
125.02340	0.9
127.03996	7.1
131.03476	2.2
133.02940	2.8
134.03697	0.9
135.04507	13.3
136.01663	0.8
136.04866	2.4
137.02419	13.5
138.02821	1.0
139.00366	5.8
143.03531	3.6
145.02948	2.7
147.78299	0.6
149.02454	3.1
149.04541	1.1
149.06055	1.6
150.03206	7.6
151.03989	100.0
152.01189	1.0
152.04327	3.7
153.01892	1.4
153.05563	6.6
159.04510	1.0
161.02417	9.7
161.04538	3.7
162.02843	1.2
163.04010	12.9
165.01892	1.4
165.05635	1.3
171.04510	0.7
177.05501	1.5
179.03497	8.6
179.05586	17.9
179.07167	1.0
180.03809	2.0
189.01933	1.2
193.04977	2.4
195.06619	8.1
203.03477	2.2
207.02940	1.3
221.04498	3.0
223.03749	0.8
225.07538	0.7
239.05559	4.7
281.06595	13.1
297.07568	0.7
299.07727	0.9
303.08658	5.6
305.06552	6.0
313.09497	0.7
315.10684	0.7
331.08429	1.3
333.08380	1.0
337.09222	15.8
338.09393	1.1
345.09589	6.1
353.08774	0.7
355.08057	1.4
363.10880	1.7
373.09271	1.2
405.11993	0.9
417.13800	0.7
433.11612	1.3
461.12955	4.2
465.13730	1.4
508.23520	0.6
555.65692	0.7
564.17981	8.9
565.17737	1.0
595.16473	7.7
596.17279	1.2
627.19409	2.1
627.27344	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	6.5
59.01373	83.6
71.01374	51.5
72.99274	3.2
85.02952	9.2
87.00863	5.1
89.02442	58.4
95.01398	4.6
95.05029	3.7
98.20669	3.8
99.04528	8.2
101.02441	29.1
110.24722	2.8
113.02427	31.0
113.05887	2.6
119.03493	25.9
119.05026	3.5
130.24966	2.8
143.03462	4.8
161.04549	10.5
161.13345	22.5
179.05551	15.9
185.13283	3.3
187.11249	50.5
188.11658	3.3
205.12294	49.5
229.12276	8.5
231.10237	5.0
233.80417	2.5
247.13387	6.3
249.11293	64.5
250.11586	7.2
291.12411	3.7
351.14322	3.9
385.18576	10.1
411.16553	45.8
412.16998	7.7
429.17609	100.0
430.17978	7.0
591.22803	76.6
592.23303	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	627.229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	4.4
59.01375	100.0
59.17287	1.6
61.98817	3.1
63.69338	1.6
69.76929	8.4
71.01376	61.8
72.99310	4.3
75.00872	3.6
80.55784	1.5
85.02921	10.2
87.00876	3.4
89.02438	86.0
95.01370	5.0
96.96015	4.5
101.02431	24.6
108.01978	1.4
113.02441	27.9
119.03494	37.5
131.03508	5.2
133.02940	6.6
134.03320	2.2
135.04483	5.4
143.03503	7.8
145.02933	1.8
149.02426	2.9
149.04543	4.8
152.01173	2.1
161.02435	9.8
161.04567	10.2
162.02782	6.6
163.02974	4.6
179.03380	3.1
179.05609	42.7
194.05824	1.8
223.65755	1.6
236.51936	1.7
236.54330	1.6
381.07202	1.8
477.77701	1.9
481.19330	2.7
627.20416	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01369	3.4
59.50739	0.5
66.12275	0.5
69.53024	3.4
71.01366	3.5
73.02943	1.8
83.01392	0.5
85.02924	1.3
89.02446	2.3
91.05549	0.7
92.97485	0.6
93.03434	0.6
99.00875	0.8
101.02427	2.2
107.05022	2.6
111.40474	0.5
113.02484	1.3
117.03461	1.1
132.02115	1.0
133.02943	17.1
134.03754	8.8
135.04509	100.0
136.04848	2.7
142.76727	0.5
145.10185	0.6
149.06108	0.6
151.59947	0.5
161.02423	44.5
162.02797	1.6
163.04002	0.8
179.03473	56.3
180.03825	1.9
193.05013	1.6
285.03903	2.9
286.04050	0.6
315.10809	0.7
451.71964	0.5
497.20108	1.0
543.47522	0.5
627.26465	76.7
628.26862	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	627.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.2
61.98830	0.4
62.93674	0.3
67.58568	0.3
71.01369	3.2
73.02934	1.3
77.99003	0.3
80.07985	0.3
83.01385	0.6
85.02934	1.8
89.02416	0.9
89.03979	0.6
91.05524	0.6
92.26949	0.4
93.03441	0.8
93.83912	0.4
95.01365	0.5
96.96014	0.4
99.00877	0.5
101.02439	2.9
106.04242	0.4
107.05020	2.0
111.00841	0.5
113.02429	1.1
117.03451	1.7
119.05014	0.6
121.02969	0.5
123.04471	0.4
124.35400	0.4
129.01891	1.1
131.03529	0.4
132.02139	0.8
133.01402	0.5
133.02934	18.1
134.03740	9.2
135.04504	100.0
136.04823	4.3
137.02367	0.4
149.02393	0.4
149.79643	0.3
161.02417	48.2
162.02724	2.0
179.03464	55.7
180.02422	0.4
180.03757	2.2
193.04965	2.0
195.06548	0.4
285.03906	0.5
291.08630	0.5
333.18881	0.4
465.23764	0.5
497.19788	0.5
593.09784	0.3
625.75244	0.4
627.26453	79.7
628.26752	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	627.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01373	3.6
61.98820	4.4
63.02407	1.0
65.00320	0.8
66.37708	0.3
68.82247	0.3
69.03444	2.8
70.93472	0.8
71.01390	2.3
71.05047	0.4
71.11665	0.3
72.61333	0.3
73.02952	0.6
79.07314	0.4
79.95712	0.3
82.99631	0.3
83.01388	0.8
83.37109	0.4
85.02937	0.8
88.98801	0.5
89.02442	0.8
93.03465	0.4
95.01386	0.5
96.96001	8.4
96.96955	0.4
101.02423	1.7
105.03446	0.4
107.01383	2.1
109.02981	0.9
111.00850	0.4
113.02421	0.6
117.03491	0.5
119.05016	0.9
121.02939	0.4
133.02936	6.2
134.03748	4.7
135.04552	2.4
135.08116	0.4
136.04828	0.5
137.02414	0.5
139.11284	5.4
145.03030	0.7
149.02428	1.2
151.00349	4.3
153.09230	1.3
160.01642	0.4
161.02461	1.9
161.04514	0.5
163.03987	1.3
171.04591	0.5
175.04021	2.7
179.03485	1.7
183.10239	28.6
184.10577	0.9
187.94446	0.3
187.96188	0.3
191.05521	0.5
193.05046	4.5
195.47218	0.4
197.06142	0.4
197.08171	1.1
199.03922	2.1
201.01903	0.7
211.03859	0.4
213.05444	0.7
217.04993	1.3
221.45276	0.3
241.04991	1.2
243.02992	0.5
255.02975	1.2
256.03528	0.7
257.04431	0.6
267.02902	0.4
284.00153	0.3
284.03220	11.1
285.04004	100.0
286.04355	6.3
297.04025	0.6
327.05206	0.7
401.14432	2.2
429.07184	0.3
434.17767	0.4
447.09000	1.6
549.62006	0.4
583.18103	21.4
584.18573	3.5
591.20410	0.5
626.38611	0.9
627.16992	21.0
627.26099	2.8
627.38544	1.4
628.17596	3.0
628.26788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01373	3.6
61.98820	4.4
63.02407	1.0
65.00320	0.8
66.37708	0.3
68.82247	0.3
69.03444	2.8
70.93472	0.8
71.01390	2.3
71.05047	0.4
71.11665	0.3
72.61333	0.3
73.02952	0.6
79.07314	0.4
79.95712	0.3
82.99631	0.3
83.01388	0.8
83.37109	0.4
85.02937	0.8
88.98801	0.5
89.02442	0.8
93.03465	0.4
95.01386	0.5
96.96001	8.4
96.96955	0.4
101.02423	1.7
105.03446	0.4
107.01383	2.1
109.02981	0.9
111.00850	0.4
113.02421	0.6
117.03491	0.5
119.05016	0.9
121.02939	0.4
133.02936	6.2
134.03748	4.7
135.04552	2.4
135.08116	0.4
136.04828	0.5
137.02414	0.5
139.11284	5.4
145.03030	0.7
149.02428	1.2
151.00349	4.3
153.09230	1.3
160.01642	0.4
161.02461	1.9
161.04514	0.5
163.03987	1.3
171.04591	0.5
175.04021	2.7
179.03485	1.7
183.10239	28.6
184.10577	0.9
187.94446	0.3
187.96188	0.3
191.05521	0.5
193.05046	4.5
195.47218	0.4
197.06142	0.4
197.08171	1.1
199.03922	2.1
201.01903	0.7
211.03859	0.4
213.05444	0.7
217.04993	1.3
221.45276	0.3
241.04991	1.2
243.02992	0.5
255.02975	1.2
256.03528	0.7
257.04431	0.6
267.02902	0.4
284.00153	0.3
284.03220	11.1
285.04004	100.0
286.04355	6.3
297.04025	0.6
327.05206	0.7
401.14432	2.2
429.07184	0.3
434.17767	0.4
447.09000	1.6
549.62006	0.4
583.18103	21.4
584.18573	3.5
591.20410	0.5
626.38611	0.9
627.16992	21.0
627.26099	2.8
627.38544	1.4
628.17596	3.0
628.26788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29705	0.4
59.01360	1.0
61.98827	3.0
70.65628	0.9
71.01364	0.6
72.25497	0.4
72.99303	0.4
74.02469	0.4
78.95892	4.2
79.95726	3.4
87.00895	0.6
88.91634	0.4
95.05048	0.4
96.96000	100.0
96.96883	4.2
99.04556	0.4
100.00342	0.5
113.02483	0.5
116.52032	0.5
135.04514	0.5
138.68779	0.4
152.99553	1.3
161.02451	0.5
175.02478	1.2
181.08687	0.5
216.02621	0.4
293.21265	0.7
351.06100	0.8
377.24680	0.6
419.16006	0.4
421.23636	1.2
465.22681	2.5
491.22302	0.5
493.05090	0.5
509.23056	2.0
567.24103	1.2
627.27429	1.2
627.37512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81557	0.2
58.18895	0.2
59.01375	1.9
61.98811	0.6
69.39863	1.3
71.01372	0.6
78.95892	1.0
79.95733	3.4
85.02925	0.3
90.92953	0.1
96.95999	100.0
97.95937	0.2
98.19776	0.3
99.00867	0.2
101.02408	0.4
103.00354	0.2
113.02465	0.2
119.03439	0.2
133.02931	0.2
135.04491	0.5
152.99600	1.1
153.99986	0.2
161.02405	0.6
175.49214	0.2
175.74672	0.2
179.03488	0.5
180.03995	0.2
299.09250	0.2
429.24890	0.5
443.29984	0.2
465.21771	0.2
489.89606	0.2
523.25769	0.4
541.26764	11.2
542.27167	1.0
565.26740	0.3
583.27850	25.3
584.28290	2.5
609.25592	1.7
627.27081	11.4
627.36969	0.7
628.27594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
61.98820	100.0
71.01362	0.2
75.42311	0.1
87.35695	0.1
88.98782	0.2
89.02486	0.3
96.95981	0.2
97.12476	0.1
101.02458	0.1
121.02957	0.3
130.17630	0.1
151.06349	0.1
229.62527	0.1
238.28459	0.1
273.52481	0.1
403.12549	0.2
406.13354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49956	5.8
57.33767	6.4
59.01377	27.3
61.98823	56.0
64.05611	6.5
68.64054	6.2
69.03448	8.2
69.41716	13.5
69.42127	44.1
71.01360	10.9
72.77309	6.9
78.95872	8.5
96.95985	20.2
98.19841	11.9
113.02440	9.0
119.05010	13.6
119.08617	10.3
121.06589	8.9
137.06061	100.0
161.02444	14.9
166.05104	14.0
189.12849	11.8
215.14223	10.1
249.26752	6.9
257.00433	7.1
279.28632	7.4
354.17001	20.2
386.19876	14.4
404.20822	60.6
523.46716	7.1
524.26422	13.9
568.25421	65.1
569.25671	8.6
628.28510	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	629.163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06470	0.8
53.51211	0.7
55.92093	0.7
57.03434	1.2
57.35295	0.8
59.01368	6.7
61.98801	1.9
71.01350	5.3
72.99306	0.9
78.95887	2.5
83.05018	2.1
85.02951	1.5
87.00858	0.9
88.98781	1.4
89.02428	6.6
93.03444	2.5
96.48431	0.7
96.95995	8.0
98.19901	1.2
99.00867	2.3
101.02425	3.0
107.05005	2.2
109.06596	1.0
111.08135	14.6
113.02433	2.7
117.03416	1.2
119.03452	1.6
119.04982	3.3
123.04504	0.8
126.90384	0.9
131.03468	0.8
132.02161	1.0
133.02939	20.5
134.03737	6.8
135.04506	100.0
136.04839	3.9
150.03130	1.0
161.02419	65.7
162.02768	1.6
173.04539	4.1
173.08142	8.2
177.22141	0.7
179.03468	58.4
180.03789	2.3
191.05534	1.5
197.08087	1.1
227.03459	2.0
255.02925	1.8
284.03247	3.4
285.03964	4.0
431.15475	1.2
455.19229	11.9
456.19131	0.9
593.18713	99.0
594.19110	12.7
629.15204	1.4
629.25092	10.9
630.25488	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	629.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
60.99297	16.3
61.98813	0.4
71.01379	1.1
71.61650	0.3
72.99281	0.3
78.95896	0.7
85.02924	0.5
88.98794	100.0
89.02436	0.9
89.99117	0.9
95.04995	0.6
96.96001	1.8
99.00823	0.2
101.02452	1.0
111.00854	0.3
113.02435	0.6
117.03412	0.4
119.03510	0.3
121.02911	0.4
123.04485	0.4
133.02936	0.3
135.04536	0.9
136.04863	0.2
137.02423	0.4
137.09724	0.4
139.03960	0.4
145.02921	1.2
149.02420	0.3
153.05524	0.4
153.09172	0.3
155.10767	0.9
157.42529	0.2
161.02426	0.7
163.03990	0.4
166.05058	0.2
173.04518	0.2
179.03528	0.5
179.05389	0.3
184.02000	0.4
193.05028	0.6
195.06622	0.4
199.04272	0.4
199.09642	0.3
199.11401	0.2
205.22600	0.2
216.84148	0.2
241.04901	0.2
275.05881	0.2
275.09122	0.7
285.03595	0.2
307.08206	0.4
311.57147	0.2
345.09851	0.2
377.12207	1.2
437.29541	0.2
447.14667	0.4
447.24692	0.2
481.20889	0.3
497.20163	0.9
539.17749	1.6
540.17896	0.3
591.20789	0.7
629.24725	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	629.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76490	0.5
55.01731	1.8
55.02021	1.4
57.03329	0.8
59.01222	14.3
59.01562	9.8
60.95592	0.5
61.98690	1.5
61.99021	1.5
69.24961	6.0
71.01204	11.3
71.01654	4.4
72.99194	0.9
73.02771	2.8
73.03235	1.3
85.02763	3.6
85.03312	1.5
87.00668	2.9
88.98653	1.0
89.02250	13.2
89.02862	3.0
93.03266	1.4
95.01239	1.4
96.73621	0.7
96.95795	5.3
97.34539	0.7
101.02227	8.0
101.02970	1.4
108.02042	0.7
109.02792	0.8
111.00712	1.0
113.02211	8.0
113.03066	1.1
117.03239	3.6
119.03247	6.2
119.04782	14.6
119.05727	2.1
121.02782	0.9
121.06348	2.3
121.07117	0.8
123.00698	0.6
123.04258	1.8
123.05094	0.6
125.05856	0.8
133.02689	2.7
134.03560	1.0
134.04602	0.6
135.04256	3.7
135.07881	2.3
137.02179	3.1
137.05830	2.5
137.09459	39.3
137.10620	3.8
138.09828	2.1
139.11098	0.7
143.03275	1.0
145.02687	18.6
145.03912	1.7
146.03055	1.5
147.02734	2.0
149.02296	1.0
149.99355	0.8
151.03732	5.8
152.04095	1.9
153.04295	0.8
153.05412	0.9
155.10506	37.8
155.11905	3.2
155.67328	0.6
156.10924	1.2
161.02153	6.8
162.02559	0.8
163.03961	3.3
164.04530	0.7
168.00368	2.4
169.12032	4.3
179.03429	4.1
179.05409	1.5
179.10535	0.8
181.08669	6.6
193.04805	1.3
195.06337	0.9
197.07918	0.8
199.09720	6.3
223.09538	1.0
224.24530	0.6
226.67390	0.7
280.45840	0.6
299.11078	1.5
307.08167	0.9
341.06219	0.8
386.77902	0.7
481.20721	100.0
482.21088	11.5
591.20813	9.7
592.20648	1.3
593.21289	1.0
597.18396	0.7
623.20435	1.6
629.24652	48.7
630.25116	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	631.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53260	0.7
59.01371	4.5
61.98818	2.5
69.86890	4.0
71.01386	4.9
72.99322	0.8
79.95731	0.9
85.02929	1.0
89.02431	4.9
89.03959	0.9
89.04433	0.8
96.96002	47.3
101.02457	1.4
101.17338	0.9
107.04991	1.8
109.02918	1.6
113.02448	1.0
117.03418	1.2
119.04987	0.9
119.49281	0.7
123.04565	1.0
124.01613	2.8
125.02448	3.7
125.27166	0.9
133.02945	16.0
134.03754	6.5
135.04510	100.0
136.04788	3.7
137.02411	5.4
139.03990	1.7
153.01939	1.8
154.02251	1.6
161.02426	52.7
162.02809	0.9
179.03477	63.2
180.03848	2.6
181.25508	0.9
188.16776	0.9
233.06476	0.9
243.85489	0.8
353.08667	1.0
396.48004	0.8
396.53992	0.8
409.05841	0.8
444.36935	0.8
455.11682	5.7
461.15982	1.0
474.58661	1.0
476.12570	0.8
568.17053	2.3
595.16602	99.2
596.16998	15.3
631.21997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53893	0.4
52.46630	0.4
58.00586	1.1
59.01375	28.6
66.39520	0.4
69.74364	2.8
69.74725	0.5
71.00988	1.0
71.01376	14.3
72.99310	0.6
74.55417	0.5
83.01360	0.7
84.03152	0.4
85.02937	2.8
87.00896	0.8
89.02434	16.2
95.01392	1.2
101.02438	9.7
102.02789	0.6
111.70524	0.5
113.02444	5.7
119.03499	6.4
123.04517	13.7
127.21014	0.5
134.03706	0.7
135.04512	30.9
136.04791	1.0
143.03552	0.6
153.05562	22.8
154.05885	0.7
177.00401	0.5
178.55972	0.4
179.05576	0.5
190.35022	0.4
271.66135	0.5
315.10815	100.0
316.11169	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	631.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03461	1.3
58.00592	4.1
59.01371	82.9
60.01704	0.9
62.45991	0.9
71.01373	54.4
72.99301	4.3
73.02942	2.8
83.01385	2.2
85.02943	9.7
87.00871	3.3
88.68834	0.8
89.02432	71.6
90.02744	1.2
93.03408	1.6
95.01379	4.0
96.96938	1.0
98.20672	1.1
99.00845	1.0
101.01761	1.8
101.02428	35.8
106.01952	0.8
107.05008	9.5
108.02156	29.8
108.05312	1.0
108.80101	0.8
109.02943	1.1
113.02430	24.0
119.03483	38.9
123.04503	5.6
129.28239	1.1
131.03484	3.0
134.03738	4.3
135.04504	59.8
136.04849	2.0
143.03517	6.4
149.04549	2.8
151.03975	6.1
152.04280	1.7
153.05544	11.3
161.04526	6.7
179.05609	10.4
191.05547	1.5
224.09857	0.9
224.48985	0.8
295.45596	0.8
313.09256	1.8
314.69800	0.8
315.10791	100.0
316.11169	6.3
374.85632	0.9
499.81085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64326	0.5
56.01184	0.5
59.01371	32.4
60.17102	0.5
61.50489	0.6
61.98798	1.0
65.99841	3.3
66.03448	0.7
67.01875	1.7
68.99541	2.5
69.03436	0.6
71.61648	0.8
73.02924	1.8
80.05007	0.6
81.02211	0.6
81.03425	0.9
82.06609	1.3
85.02931	3.5
85.55765	0.5
89.45240	0.7
93.03453	3.0
95.05003	1.6
96.96004	1.1
99.04477	1.1
99.92561	1.3
101.02435	0.6
106.06583	0.9
107.05008	1.3
108.04532	2.8
108.05140	0.5
110.06065	1.6
111.00876	2.8
111.04485	2.4
112.98555	3.5
113.06061	0.9
114.93384	1.6
115.00301	0.6
116.07151	1.3
116.92071	0.8
116.92844	12.1
116.97208	2.0
117.01906	2.1
118.06591	1.1
119.04952	2.0
120.04521	0.7
122.04792	1.0
123.04482	2.4
123.05639	2.7
127.03968	1.5
130.06584	0.8
130.08737	7.7
134.06075	2.3
135.04463	2.2
136.06490	1.1
136.07642	1.0
137.02478	1.0
137.06024	2.7
138.05576	3.4
138.09218	9.4
139.03984	0.7
140.07158	0.7
146.06079	0.9
147.04414	1.0
149.06081	0.8
151.03969	1.1
151.05077	1.6
152.03511	9.4
153.05513	1.7
156.06590	3.8
158.06068	1.9
160.04008	2.0
161.04701	0.6
162.05548	2.3
162.19177	0.6
163.03957	1.0
164.10704	0.6
165.10233	0.8
166.08711	0.6
167.11818	0.9
168.06590	1.6
169.13484	1.2
174.09177	1.2
176.05904	0.6
176.07141	3.8
177.05409	0.7
178.03632	1.0
178.05060	13.1
179.05415	0.7
179.11807	0.7
182.81950	0.7
183.07683	0.8
188.03534	1.0
188.07143	0.6
190.08696	1.7
192.06590	1.6
192.09018	8.1
193.09663	1.0
193.13419	4.2
194.08165	4.8
195.06577	4.1
195.11380	1.3
200.07071	1.2
202.05064	0.6
202.08699	2.2
204.06648	0.6
204.10199	0.9
205.09767	2.2
213.12392	1.4
218.08163	2.6
218.10477	3.6
219.11217	0.8
219.14957	1.0
220.06087	0.8
220.12045	1.5
221.12914	35.7
222.13235	1.6
223.10814	2.3
228.06532	0.9
234.11362	1.2
235.07158	2.3
245.12680	0.6
247.14453	7.6
253.15483	1.7
260.09213	1.0
262.09143	0.6
265.11844	2.1
271.14456	1.1
273.07816	2.7
273.12408	2.7
279.13171	0.7
287.17517	1.2
289.07941	0.7
291.13547	4.9
297.14514	11.3
299.13873	1.2
303.17169	1.1
304.07928	0.6
305.14951	1.3
313.15524	0.7
315.08627	1.0
315.17020	2.3
331.16623	1.0
347.15857	1.5
349.13959	5.9
359.16086	1.3
375.15631	3.9
391.18384	1.2
414.15552	1.1
427.18622	5.1
435.17505	1.5
495.19968	4.1
503.20218	1.6
522.71759	0.5
527.19678	0.7
539.20044	1.1
571.22388	2.7
631.24896	100.0
632.25305	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	631.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56522	0.1
59.01372	0.3
61.98822	100.0
62.98530	0.1
71.30572	0.1
71.30915	0.1
73.14658	0.1
78.95957	0.1
95.58828	0.1
96.96017	0.3
97.82930	0.1
104.53239	0.1
111.88597	0.1
133.02940	0.1
141.01654	0.1
143.01512	0.1
145.03001	0.1
152.07529	0.1
161.02449	0.1
174.01683	0.1
179.03581	0.1
185.04688	0.1
631.35455	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	631.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
59.75316	0.1
60.05783	0.1
61.98822	100.0
71.01395	0.1
71.61624	0.1
78.95896	0.1
82.58334	0.1
96.96038	0.2
102.06805	0.1
108.03978	0.1
116.92842	0.2
133.03012	0.1
137.02428	0.1
145.02928	0.1
156.46684	0.1
161.02415	0.1
163.28119	0.1
272.28711	0.1
369.55563	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	631.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27847	1.1
52.32540	0.9
56.82994	1.2
59.01372	47.8
61.98820	8.7
66.03463	2.3
68.99567	1.1
71.01373	2.9
71.62398	1.6
71.62820	1.8
73.02927	2.3
75.00877	1.0
75.82407	0.9
79.60403	1.1
82.06599	4.8
83.05015	46.0
84.05336	1.5
84.08165	4.9
85.02906	1.5
89.02430	1.6
93.03436	2.7
96.96004	7.0
97.06558	1.4
98.95561	1.1
99.92551	2.4
101.02400	2.2
107.04997	2.1
112.98528	2.0
113.02393	1.3
113.06057	4.3
116.92854	11.1
117.01852	1.8
120.04504	2.2
121.02941	1.4
122.02482	1.5
123.03243	1.2
123.04472	3.4
123.96481	1.0
124.04005	3.4
125.07166	2.7
128.07152	2.3
130.08719	24.4
133.02872	1.7
134.03696	1.5
135.04463	4.7
137.02443	1.5
137.06020	3.7
138.05551	1.6
139.02646	1.4
143.48898	1.1
145.05269	3.3
147.04425	1.2
149.03526	1.4
149.06117	1.5
152.07074	1.2
156.05434	1.8
156.06641	26.7
160.04062	1.0
160.07590	3.1
161.02373	1.2
161.04500	1.4
162.05539	2.7
164.03467	1.4
164.07190	1.4
165.05544	6.1
166.04895	1.0
166.08653	1.9
167.07138	1.2
168.13873	7.5
169.04973	1.2
176.07088	1.2
178.05087	5.0
179.03531	1.2
182.08199	1.9
185.16483	1.5
192.10274	1.8
193.05049	2.5
195.14929	3.5
196.06056	4.5
201.10374	1.2
211.14397	3.1
215.11647	1.2
220.06123	1.2
220.09621	1.7
221.12918	5.2
227.13982	2.3
229.15517	13.5
230.10342	1.9
233.09363	1.4
234.11270	11.5
235.10864	6.4
239.14044	9.9
247.10776	3.5
249.12340	1.3
257.08099	1.2
259.10770	1.3
273.16074	2.0
277.11899	6.8
287.17609	3.4
289.10809	1.1
305.18600	5.0
313.10724	2.3
315.17032	5.5
317.18506	3.2
331.11844	1.5
331.16483	1.9
347.19662	2.5
349.17688	11.4
361.18118	1.2
370.72980	1.1
375.19238	1.4
389.20569	1.5
391.18661	7.5
433.19336	1.4
451.20834	18.5
452.21317	2.1
493.21716	4.2
529.25574	4.8
553.24915	1.5
571.26385	10.0
595.36810	7.0
631.28314	100.0
632.28937	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	631.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89284	1.3
59.01373	100.0
60.01696	1.6
61.98813	8.2
69.03443	2.7
69.42601	11.5
71.01376	33.3
72.99326	3.4
73.02930	19.2
83.01373	6.8
85.02936	14.3
87.00864	2.5
89.02420	12.3
95.01392	3.7
96.95979	7.0
97.02948	2.5
99.00885	2.1
101.02429	21.2
104.70354	1.3
113.02450	17.2
119.03494	3.4
119.08659	11.8
124.01550	1.8
125.02428	6.0
128.03561	1.8
128.69975	1.5
131.03464	1.4
133.02937	7.0
135.04524	16.0
143.03481	3.3
155.03519	2.0
161.02435	27.4
161.04492	3.2
171.10245	13.9
179.03429	11.2
192.46927	1.3
195.10152	1.6
197.11739	1.5
203.05695	2.2
207.56906	1.3
229.19557	2.5
273.18564	11.5
287.20172	1.6
291.19534	16.1
305.21347	1.9
309.20740	2.4
311.09531	9.7
311.59583	2.2
315.19565	3.2
333.20697	3.3
339.08588	1.6
339.14352	4.7
372.14432	2.3
447.01791	1.5
453.24860	29.2
454.25150	4.8
454.96802	1.5
471.25949	4.1
472.26141	1.8
484.21143	7.7
484.71106	2.6
495.25986	38.2
496.26276	5.3
506.20370	2.6
513.26843	18.6
514.27020	2.6
528.19794	2.8
550.19037	2.4
596.21747	2.6
623.19403	3.2
631.30896	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	631.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	2.1
59.01373	100.0
61.98820	10.8
64.83549	1.0
68.99817	0.9
69.03445	3.8
71.01378	44.0
71.05014	1.1
72.99301	2.4
73.02940	25.8
74.05428	0.8
78.95879	1.8
81.03424	2.0
83.01376	8.3
85.02944	14.6
87.00862	3.7
89.02434	12.5
91.03991	1.2
91.05541	0.8
93.03445	1.0
95.01379	5.1
96.96007	8.0
97.02930	3.7
98.95570	1.1
99.00859	2.9
99.04524	1.5
101.02435	27.5
113.01696	1.2
113.02443	22.0
117.03426	0.9
119.03484	3.6
119.05006	1.9
119.08669	13.9
124.01643	2.7
125.02435	8.5
127.29887	0.8
128.03528	1.1
131.03397	1.3
133.02946	7.7
134.03644	1.2
135.04517	12.8
137.06071	1.0
143.03465	3.5
149.04471	1.1
152.99557	2.1
155.03508	1.6
161.02437	22.5
161.03819	1.1
161.04527	2.9
161.05910	0.8
162.02785	1.9
171.10246	15.3
172.10629	0.9
173.04364	0.9
179.03467	9.8
185.11784	2.9
195.10242	1.1
203.05594	2.1
229.19559	2.3
247.09769	1.0
259.21756	0.9
269.18939	1.0
273.18567	16.9
287.20187	2.1
291.19604	14.9
297.18570	1.9
305.20853	0.9
309.20767	3.0
311.09506	7.7
311.59662	1.0
315.19608	4.5
333.20587	3.9
339.14368	1.8
372.14410	1.7
435.23666	2.1
453.24841	39.1
454.25113	4.3
469.49490	1.3
471.25977	6.8
484.20987	3.6
484.70868	2.2
487.14777	1.2
495.25922	49.4
496.26242	6.3
497.19858	1.2
506.20206	4.0
513.26959	19.1
514.27380	3.5
528.19818	1.8
550.19250	1.3
551.20337	1.5
589.31909	1.6
596.21082	2.2
623.19171	2.7
631.30139	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	631.3631
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
54.10744	1.1
54.22784	1.0
54.30063	1.0
61.98818	8.9
71.62617	1.2
86.69285	1.0
99.61223	1.2
107.53707	1.2
117.03452	16.3
119.05022	23.0
119.23795	1.2
121.02958	2.3
133.02940	1.6
145.02925	71.9
146.03249	3.0
157.75206	1.1
159.34721	1.1
160.84169	3.7
161.02423	1.6
162.83995	2.0
163.02721	1.5
163.04008	27.1
164.04379	1.1
205.08412	1.2
220.81888	1.3
267.34833	1.1
421.31049	16.7
439.32202	1.9
469.33069	4.5
471.34537	2.7
493.24002	1.4
569.36340	1.8
585.35840	18.9
586.36230	3.4
587.37256	14.9
588.37012	1.8
631.36292	100.0
632.19519	2.0
632.36969	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	632.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61061	0.2
57.03436	0.3
59.01369	3.2
61.98823	100.0
71.01379	1.1
71.62655	0.2
71.63074	0.3
71.86685	0.2
85.02957	0.7
87.00845	0.2
89.02438	0.5
95.04977	0.3
96.95993	1.7
98.05988	0.2
98.95592	0.4
101.02456	0.6
111.00891	0.3
113.02445	1.1
117.03446	0.4
119.05003	0.3
122.06129	0.3
127.03957	0.3
128.03516	0.2
133.02928	1.9
134.03702	1.7
135.04510	1.5
137.06081	0.5
145.02965	0.4
149.04568	0.3
160.01669	0.6
161.02431	7.3
161.04520	0.3
162.02861	0.2
175.03992	0.7
179.03534	0.6
193.05034	2.2
195.06590	0.5
285.04337	0.2
351.27451	0.2
477.30859	0.3
554.68207	0.5
555.18353	0.4
569.22296	6.7
570.22644	1.2
616.21625	0.3
623.20288	0.5
631.40601	0.7
632.25220	0.9
632.41577	0.5
633.23212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38717	0.1
55.01871	0.1
57.03428	0.1
57.77277	0.1
58.00573	0.1
59.01370	5.0
64.00118	0.1
69.03441	0.2
70.92276	0.2
71.01375	3.1
72.99298	0.1
73.02930	1.0
81.03458	0.2
83.01401	0.4
85.02942	1.5
87.00906	0.1
89.02439	1.2
89.04020	0.2
95.01372	0.4
95.44378	0.1
96.95970	0.1
97.02952	0.2
99.00861	0.2
99.04494	0.1
101.02424	1.2
103.04003	0.2
112.38428	0.1
113.02436	2.6
117.03451	26.9
118.03771	0.9
119.03521	0.4
119.05006	7.4
120.05376	0.1
125.02448	0.5
137.06070	0.9
139.63342	0.1
143.03590	0.2
143.04933	0.1
145.02933	100.0
146.03268	3.9
155.03426	0.2
161.02377	0.1
161.04556	0.3
163.03995	5.9
164.04318	0.2
203.05579	0.3
268.17102	0.1
268.36237	0.1
281.10257	0.3
299.11240	0.1
341.12415	0.2
445.17010	0.6
455.76379	0.1
469.16812	0.3
471.22595	0.1
487.18149	1.4
488.18509	0.2
633.21753	18.4
634.22144	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	633.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99189	0.1
57.03434	0.1
58.00587	0.2
59.01371	5.6
61.98822	0.2
67.01884	0.1
69.03442	0.2
69.70788	0.4
71.01372	3.5
72.99300	0.1
73.02935	1.0
75.00871	0.1
75.55141	0.1
81.03455	0.2
83.01369	0.4
85.02940	1.6
87.00859	0.2
89.02429	1.6
89.03963	0.2
93.03454	0.4
95.01358	0.5
97.02922	0.2
98.29123	0.1
99.00866	0.3
101.02423	1.3
103.03989	0.1
109.02950	0.1
111.00887	0.4
111.04505	0.2
113.02435	2.8
117.03450	27.2
118.03772	0.8
119.03510	0.6
119.05006	7.9
120.05312	0.2
121.02919	0.2
125.02433	0.4
127.04006	0.3
131.03522	0.1
135.04533	0.2
137.02437	0.2
137.06065	1.2
137.15466	0.1
138.06329	0.1
139.00339	0.2
143.03464	0.3
143.04980	0.1
145.02930	100.0
146.03265	4.1
149.02435	0.1
155.03488	0.3
161.02394	0.1
161.04523	0.3
161.05887	0.1
163.03983	6.1
164.04301	0.2
177.11333	0.1
179.03458	0.1
179.05573	0.2
187.04031	0.2
195.06572	0.2
203.05551	0.2
205.04893	0.1
238.62959	0.1
268.28668	0.1
273.07623	0.2
275.05655	0.2
281.10287	0.3
299.11267	0.3
307.08148	1.1
315.08725	0.3
333.09747	0.2
341.12320	0.2
375.10617	0.1
427.15521	0.1
435.12930	0.3
445.17291	0.6
469.17123	0.3
487.18082	1.6
488.18555	0.1
591.20709	0.1
597.17938	0.5
598.18604	0.1
633.21777	15.6
634.22156	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	633.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98830	16.0
66.32476	1.3
67.01888	1.4
71.01367	6.0
71.62498	1.8
72.00907	3.3
73.02935	3.0
74.02473	15.1
75.00865	2.9
80.87695	1.3
83.01396	1.6
85.02950	4.0
87.00903	1.2
89.02438	3.9
93.03442	5.7
95.02535	1.4
96.96003	6.1
97.06577	2.3
98.95586	2.1
99.99792	2.8
100.00395	22.4
101.02435	6.1
107.05025	3.9
111.00888	2.1
111.04500	1.8
113.02407	1.8
117.03471	2.5
118.05096	3.4
119.05006	2.3
120.04553	2.9
121.02945	1.7
123.04500	5.1
124.04031	3.2
126.09240	9.5
126.90470	1.6
127.03999	2.4
130.08716	2.3
131.03708	4.9
132.02167	1.3
132.04565	2.1
133.02934	3.8
134.03735	24.9
135.04544	8.8
137.02422	3.3
137.06064	7.7
138.05550	2.7
143.11884	2.2
144.03023	6.3
145.02951	2.7
148.04021	2.4
149.02411	1.5
149.03537	2.0
149.06068	5.2
150.05635	2.6
151.08748	1.6
152.07133	1.9
153.10289	9.5
160.01659	3.3
161.02414	6.1
161.04630	1.4
162.05573	2.2
162.12946	1.4
163.03967	3.7
163.06329	2.8
164.07123	3.9
164.72510	1.4
165.05521	7.4
165.06691	3.6
166.05119	2.0
169.05067	2.3
169.09787	2.3
170.08275	2.2
173.04771	1.7
174.09265	3.6
175.03940	2.9
176.07260	1.8
177.05476	1.7
178.05061	3.7
179.03423	3.5
179.07066	2.9
182.49170	1.9
185.11627	1.6
187.10857	13.5
188.05862	3.8
193.05025	30.3
194.05426	2.2
195.06598	1.7
197.09320	19.1
205.06186	1.9
206.04498	2.2
206.11836	12.0
216.05455	2.8
217.06227	1.6
231.11392	2.7
231.13495	4.4
243.15005	1.3
245.12965	3.2
246.14720	1.6
248.12869	15.4
257.08371	1.6
261.12408	2.0
263.13986	6.3
273.12399	5.8
275.14014	11.8
287.14026	3.3
289.11792	2.4
289.15359	3.2
291.13419	1.8
303.13513	1.9
305.15063	3.1
307.08313	3.4
307.12964	3.5
313.10803	2.3
331.12051	2.8
333.14600	3.2
335.15985	1.5
347.16061	2.0
349.14090	5.8
373.13181	2.5
391.14963	1.6
393.16388	1.6
409.15952	12.5
430.49863	1.4
451.16983	3.3
469.13464	2.3
513.30505	2.8
529.21674	10.4
531.32025	1.7
532.21539	2.2
573.24152	1.9
589.23920	98.9
590.24066	13.0
633.26477	65.9
633.39880	39.8
634.26904	9.3
634.40302	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19606	0.6
59.01375	42.5
59.49741	0.6
60.01699	0.6
61.98829	4.0
71.01376	1.9
71.62590	1.0
73.02912	1.0
75.00860	0.9
80.05824	0.6
83.05019	16.9
83.49006	0.6
85.02937	2.0
89.02431	2.3
93.03442	1.8
96.95995	1.6
99.04506	2.5
101.02444	1.5
107.04995	0.7
109.02905	0.7
113.02434	1.0
116.07163	9.8
119.05027	1.5
120.04579	1.6
121.02999	0.8
122.06111	0.8
123.04494	2.5
124.04044	1.7
125.06063	0.7
125.07192	1.2
128.03485	1.1
132.44743	0.7
133.02992	1.6
134.03743	1.2
135.04518	3.8
137.06027	1.3
137.07104	0.8
138.05537	1.4
139.02747	0.7
142.05083	18.6
144.04517	0.8
145.05344	1.7
148.00081	0.7
149.03531	0.9
149.06015	1.5
150.05626	1.1
152.07094	1.1
153.05559	0.9
154.07381	0.9
154.12360	8.2
160.07706	1.8
161.02367	2.3
162.05597	2.3
162.09204	0.9
163.04005	0.8
164.03481	0.8
164.07153	1.2
165.05569	3.4
166.04985	1.0
166.08751	1.2
169.13411	1.5
171.14958	1.6
174.04305	0.9
176.07094	2.0
176.10728	0.7
178.05060	2.9
179.03462	1.9
181.13475	1.6
182.08151	0.9
189.10190	0.8
192.10283	1.9
195.06601	5.6
197.12898	2.1
206.04564	1.6
207.11305	2.9
208.06215	0.8
213.12411	0.7
215.13962	6.5
217.09831	1.0
225.12459	4.3
233.09259	1.3
234.11345	5.7
235.10907	1.7
244.12210	1.0
247.10834	2.5
258.10034	0.9
259.14481	1.4
263.10471	0.7
273.16031	1.9
277.11896	2.1
291.17166	2.3
301.15469	1.8
303.17093	2.3
307.08337	0.9
315.08792	0.9
319.16852	0.9
335.16068	2.7
336.16519	0.7
377.17169	2.0
437.19275	9.3
456.16782	0.8
479.20450	1.1
497.21140	4.0
516.18500	2.2
531.23199	2.2
573.24408	13.6
574.24872	2.1
633.26569	100.0
633.38885	7.0
634.26813	15.4
662.72266	0.9
664.38843	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	633.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22863	0.2
59.01372	2.3
61.98824	100.0
66.58118	0.2
71.01376	0.5
71.61637	0.2
71.62016	0.3
80.88197	0.2
85.02927	0.3
89.02470	0.3
90.13425	0.2
96.96027	0.3
103.23498	0.2
141.01671	1.7
145.02910	0.3
161.02420	0.4
162.91122	0.4
339.65198	0.3
442.71109	0.2
465.24026	0.4
466.24249	0.3
487.34143	0.5
633.37708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	39.5
61.98819	9.1
63.34104	0.6
66.03500	0.7
71.01375	3.5
77.69038	0.7
82.06600	0.9
85.02930	0.9
86.02440	0.9
88.04029	17.8
89.02409	1.2
93.03422	1.1
96.95985	2.3
97.06577	2.5
101.02416	2.3
107.05003	1.1
110.24442	0.7
114.01969	4.1
116.07121	0.7
117.03449	1.1
119.04974	0.7
121.02887	1.0
123.04526	1.1
124.04070	0.7
125.18771	0.8
134.03693	2.7
135.04510	4.4
137.02409	2.0
137.06039	1.2
139.08713	1.7
140.10710	0.7
142.05112	1.2
144.04489	1.5
145.02899	1.3
147.04538	3.6
148.03935	0.8
148.07727	0.8
149.06047	3.2
149.10844	1.0
151.03998	1.2
151.08766	1.1
153.05516	1.5
155.08278	0.7
157.13425	2.5
160.03960	0.8
161.02371	2.4
161.04718	1.9
162.05539	2.5
164.07010	0.8
167.11888	2.5
174.05534	1.6
176.07172	4.0
178.05023	2.2
179.03557	1.6
179.05473	0.6
179.07074	1.5
192.06673	0.8
193.04977	3.0
195.06642	3.5
199.10910	1.0
201.12473	4.6
205.03584	1.0
206.04503	1.9
206.08116	2.8
211.10869	3.9
213.14935	1.0
214.12337	1.6
220.06071	1.9
221.04543	0.9
234.07689	1.0
246.14952	1.4
248.12837	0.8
258.11331	1.0
262.14432	0.7
272.12759	1.7
274.14520	1.0
285.16052	3.2
289.15607	1.5
299.72650	0.7
316.11896	0.9
329.10272	1.0
347.15976	0.9
361.17468	1.7
379.73236	0.9
471.34811	6.2
472.34921	0.9
497.21365	8.3
544.21960	6.2
547.22095	1.1
559.22534	1.2
589.22864	0.9
595.37012	2.6
601.24268	3.8
633.26477	100.0
634.26923	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59682	0.3
59.01373	7.6
67.01886	0.9
68.99818	1.5
71.01361	0.5
71.22419	0.4
85.02951	1.5
88.04044	1.6
93.03480	0.7
98.19905	1.0
101.02426	3.7
111.00877	1.9
111.04469	0.6
113.02468	0.5
117.03432	0.4
123.04560	0.4
125.02436	0.6
127.03981	1.8
128.03532	0.4
129.72568	0.4
130.08655	0.4
134.03696	0.5
135.04514	1.3
137.06007	0.5
139.00354	0.9
149.06073	3.7
150.06488	0.3
153.05542	0.4
161.02383	0.7
167.03510	0.8
171.03015	0.7
179.03497	1.8
181.79132	0.3
183.13870	11.8
184.14218	0.6
195.06444	0.5
195.13898	10.7
195.15714	0.6
196.14185	0.4
206.08151	0.5
207.06456	0.6
211.10846	0.7
213.14929	100.0
214.15288	4.8
275.17178	0.4
291.08734	6.5
317.10239	1.4
367.19305	0.4
497.21268	0.8
509.95926	0.5
544.21613	1.0
633.26422	12.2
634.10516	0.4
634.26666	1.4
635.19537	0.5
637.84564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.00577	0.5
59.01374	13.8
60.99293	0.9
61.98820	0.6
65.03949	0.4
65.19501	0.2
67.01881	6.6
69.03449	1.3
71.01372	10.8
72.99291	0.9
73.02943	0.6
81.03440	1.3
81.78960	0.2
83.01363	0.8
83.05009	1.4
85.02932	2.5
85.44492	0.2
87.00859	1.0
89.02434	7.1
89.65073	0.2
93.03445	39.3
94.03786	0.7
95.01382	0.8
96.96028	0.4
97.50892	0.2
98.01653	0.2
99.00880	0.3
101.01772	0.4
101.02428	5.2
109.02940	1.3
111.00863	1.3
111.04504	6.9
113.02432	3.1
117.91480	0.2
119.03487	2.2
120.37016	0.3
127.04008	0.6
135.04456	0.3
137.02422	7.1
155.03491	6.4
161.02434	0.3
173.04518	100.0
174.04846	2.5
183.13870	0.6
191.05600	1.5
234.56447	0.2
235.97240	0.3
237.94934	0.3
276.97348	0.3
279.23215	5.2
280.23529	0.5
297.24481	1.2
303.06448	0.3
358.14697	0.3
459.29575	36.3
460.29880	4.1
633.34790	50.2
634.35217	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	633.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13096	0.8
55.01855	1.8
57.03423	2.7
58.00572	2.3
59.01371	45.7
61.98568	1.1
61.98817	11.5
62.32930	1.1
67.01873	1.2
69.03423	1.6
71.01374	33.8
71.15646	1.5
71.15998	1.3
72.99283	3.7
73.02922	3.1
75.00851	1.1
78.95860	1.2
79.95708	1.0
81.03425	1.1
83.01359	2.9
83.04984	3.6
85.02940	8.7
87.00852	2.5
88.98795	2.4
89.01910	1.7
89.02429	28.9
93.03432	11.4
95.01364	3.3
95.04975	1.2
96.95998	6.9
97.02912	1.1
99.00858	1.0
101.01777	1.8
101.02422	22.1
102.02759	1.1
111.04501	7.6
113.02424	11.9
118.73734	0.9
119.03481	9.7
119.05003	1.0
121.02901	2.6
123.04482	1.2
127.03987	1.9
133.02901	2.8
135.04446	2.8
137.02403	2.3
139.00327	1.2
143.03529	1.2
145.02914	1.1
155.03499	8.7
161.02448	6.6
162.02629	0.9
173.03078	1.8
173.04521	32.7
174.04832	1.3
176.79468	0.9
179.03452	2.5
179.07022	0.9
183.13805	2.7
191.05569	5.1
193.04953	1.5
203.10594	1.2
219.10519	3.9
220.10773	1.5
279.23245	19.9
280.23514	1.5
297.24277	4.8
309.20575	1.3
365.24170	1.2
427.24524	2.2
459.29541	100.0
460.29947	6.8
471.23697	4.2
471.34705	1.2
633.34644	96.1
634.35352	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	633.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01343	0.4
60.99289	0.6
61.98818	1.5
63.71842	0.4
69.09238	0.3
70.24867	1.2
71.05012	0.4
73.02906	0.5
75.47114	0.3
87.77295	0.4
99.92587	0.7
116.92843	10.4
116.97269	2.0
117.01929	1.5
117.03444	9.6
119.05008	14.9
120.05402	0.5
121.02921	0.9
145.02933	41.3
146.03252	1.3
152.99672	0.4
163.03987	14.7
164.04369	0.7
174.01685	0.4
176.41425	0.3
186.62416	0.3
211.81706	0.4
244.28694	0.4
277.21875	0.5
351.26935	0.4
391.30634	0.5
401.78180	0.4
407.33005	0.8
469.33203	2.1
517.33234	0.4
571.38177	1.1
589.38885	1.2
633.37854	100.0
634.38171	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	633.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28658	0.2
58.55948	0.2
68.53590	0.2
93.03510	0.2
117.03436	2.6
121.02950	0.5
132.02179	1.3
133.02937	18.7
134.03777	2.2
135.04514	6.0
137.02431	1.6
139.03958	0.4
145.02968	0.3
161.02417	59.3
162.02780	2.0
171.48296	0.2
178.02698	0.6
179.03465	1.9
181.88423	0.2
277.21832	0.2
423.28802	0.3
453.33591	0.6
497.32639	0.4
589.38495	0.5
633.37817	100.0
634.38190	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	633.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09850	0.2
58.83232	0.2
66.43813	0.3
69.32551	2.5
91.39181	0.2
91.87811	0.3
96.00147	0.2
98.19902	0.4
117.03442	2.2
127.87423	0.2
132.02173	1.3
133.02936	23.7
134.03772	2.7
135.04504	8.1
136.04837	0.4
137.02437	1.6
138.03883	0.2
139.03954	0.3
161.02420	73.3
162.02754	3.1
178.02666	1.1
179.03473	1.8
423.29233	0.4
453.33743	0.4
497.32901	0.9
633.37830	100.0
634.38165	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60918	0.1
51.91393	0.1
61.98825	0.2
78.95917	0.2
93.03458	0.2
105.03448	0.3
106.04293	0.2
117.03460	0.5
121.02937	0.3
132.02145	1.1
133.02942	23.1
134.03784	2.2
135.04507	7.2
136.04788	0.2
137.02455	1.8
139.04007	0.4
145.02942	0.4
150.03172	0.2
152.99580	0.2
161.02425	72.0
162.02754	2.6
163.04068	0.5
178.02754	0.9
179.03452	1.8
180.03912	0.2
318.15088	0.2
453.33804	0.3
497.32434	0.5
589.39618	0.3
633.37848	100.0
634.38202	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	633.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89286	0.2
67.80090	0.3
69.75143	1.5
88.04908	0.2
117.03455	24.0
118.03769	0.9
119.05008	3.7
121.02926	0.4
145.02940	100.0
146.03264	3.9
163.03972	2.8
163.89270	0.2
205.77477	0.2
455.31476	0.4
467.31564	0.4
469.33191	0.6
589.39264	0.3
603.36438	1.8
633.37830	71.2
634.38184	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	633.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55303	0.2
70.84190	0.4
70.84521	0.3
87.46171	0.2
102.74744	0.2
105.03661	0.2
117.03451	22.5
118.03821	0.8
119.04998	3.2
121.02936	0.5
141.93152	0.2
145.02930	100.0
146.03264	3.7
156.48495	0.2
162.03258	0.2
163.04002	2.9
258.14914	0.2
376.23645	0.3
376.92386	0.2
405.63629	0.2
425.30392	0.4
455.31476	0.8
467.31241	0.5
469.33032	0.6
487.34177	0.3
513.32074	0.3
633.37823	75.1
634.38208	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	633.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
61.98808	2.8
69.33765	6.0
78.95888	3.1
82.21479	0.6
86.49440	0.8
88.01124	0.7
115.95380	0.7
117.03454	28.4
119.05032	7.4
121.02866	1.0
145.02934	88.8
146.03249	2.5
151.89766	0.7
161.02448	1.3
163.03978	2.1
174.01584	1.3
186.84023	0.9
187.81534	0.7
253.58800	0.8
513.31812	0.9
574.71332	0.9
589.39166	3.6
633.37872	100.0
634.38300	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62448	0.4
59.01374	1.3
61.98830	5.2
68.78310	0.4
69.44929	2.0
69.45335	0.8
70.60866	0.4
71.01372	0.6
74.17804	0.4
78.95897	1.3
83.63257	0.4
84.76737	0.4
85.02926	0.5
89.02441	0.4
96.96001	0.7
101.02411	0.9
117.03458	28.0
118.03782	0.8
119.05016	7.4
121.02965	1.4
129.19951	0.4
133.02921	0.6
145.02934	90.0
146.03265	4.0
160.84187	2.2
161.02434	1.0
162.03239	0.4
162.83859	1.5
163.04007	2.2
407.33249	1.0
469.32938	0.9
471.34735	6.4
472.35013	1.1
485.32404	0.7
497.58685	0.4
513.31921	0.8
519.19287	0.4
589.39441	1.9
590.39752	0.6
633.37885	100.0
634.20502	0.9
634.38275	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	633.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73138	0.5
57.92170	0.6
59.01370	1.1
61.98820	1.6
65.21342	0.5
66.34633	0.6
78.95886	0.8
96.96004	1.0
98.20251	3.0
110.22313	0.5
117.03455	26.0
119.05006	9.9
121.02947	1.4
143.82924	0.6
145.02934	100.0
146.03275	3.4
147.04480	0.8
160.84193	4.1
161.02420	1.0
162.83862	1.1
163.03975	7.2
225.82385	0.6
341.54990	0.5
391.24411	0.6
471.34760	1.0
513.32654	0.7
571.37866	9.4
572.38068	1.2
589.39111	3.5
615.36853	1.6
633.37872	91.3
634.38232	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	634.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
61.98823	100.0
65.28962	0.2
70.19514	0.2
71.01369	0.5
73.02933	0.1
82.19083	0.2
85.02955	0.4
96.96017	0.4
113.02435	0.4
119.05104	0.2
120.63980	0.2
133.02953	0.6
135.04532	0.4
137.06099	0.2
145.02910	0.2
161.02385	0.9
165.05540	0.5
170.43353	0.2
179.03484	0.4
247.09607	0.2
273.10498	0.2
341.12634	0.2
394.77631	0.2
409.15012	0.3
469.16992	0.2
472.20163	0.3
487.18170	0.8
634.19434	0.2
635.24640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
58.02967	1.4
59.01374	20.2
61.98829	0.8
69.03458	1.7
69.50206	4.3
71.01380	1.7
80.05083	0.6
81.03442	6.4
83.05015	1.5
85.02941	0.9
89.02437	1.1
93.03452	1.4
95.05031	3.4
96.95999	1.1
101.02444	0.8
107.05026	1.0
109.06566	6.9
110.09748	15.4
113.02428	0.8
113.06090	0.8
119.05036	2.4
121.06579	0.9
126.09229	1.2
128.10794	1.7
130.08723	100.0
131.09059	2.3
133.02954	1.2
133.06610	2.5
134.06099	1.0
135.04523	1.0
135.08145	14.6
135.88611	0.6
136.08461	1.0
136.11305	1.8
140.07152	1.7
145.02957	1.1
149.09692	0.9
150.12932	1.1
152.07210	5.7
152.08318	1.1
154.08719	28.9
156.06619	7.3
156.38364	0.8
159.08092	1.9
161.02440	2.2
161.06065	2.1
161.09689	3.3
164.10788	0.9
164.14427	2.6
170.08208	0.9
172.09792	2.2
177.09155	0.6
179.03542	0.7
179.07106	8.2
179.10718	0.8
180.10223	0.7
181.08678	24.0
182.08955	1.4
190.12386	1.0
192.13855	4.9
194.11768	0.7
203.07091	1.6
206.11879	0.6
208.13414	1.7
218.15459	2.6
220.09760	1.3
230.15404	1.6
234.11160	1.4
236.12877	1.9
246.18587	19.9
247.18953	1.5
248.16356	1.5
272.16565	2.2
274.14325	0.9
290.17581	48.7
291.17941	3.9
334.16550	88.4
335.16898	7.3
634.28754	14.4
635.29004	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	634.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.4
58.02966	1.5
59.01089	0.8
59.01374	11.4
69.52295	2.3
69.52711	0.7
71.01371	2.5
72.99322	0.5
81.03452	4.8
83.05019	0.6
85.02951	1.8
89.02441	2.8
93.03452	1.3
95.04993	2.1
95.90200	0.4
96.96025	0.4
97.02940	0.5
101.02450	1.2
107.05013	0.8
109.02940	0.5
109.06591	4.5
110.09734	6.7
113.02425	0.9
119.03489	1.2
119.05002	3.7
124.07782	0.6
126.09225	1.0
128.10811	2.9
130.08728	100.0
131.09106	2.4
133.02971	1.2
133.06631	0.7
135.04530	1.0
135.08141	5.5
136.11288	0.6
136.67078	0.4
141.05597	0.6
152.07143	1.2
152.10757	0.5
154.07471	1.0
154.08728	15.1
155.08977	0.4
156.06590	2.5
159.08163	1.6
161.02431	2.9
161.06061	1.9
161.09703	1.5
162.02795	0.4
164.14389	0.9
172.09795	3.2
177.09265	1.0
179.07098	3.2
181.08656	6.7
192.13924	2.2
196.13225	0.7
203.06985	1.0
204.13892	0.5
208.13388	0.5
218.15443	1.2
220.09720	0.4
230.15465	1.1
236.12856	0.9
246.18617	8.7
247.18643	0.6
248.16452	0.7
272.16550	1.1
274.14435	0.6
290.17566	16.1
291.17917	1.3
293.92087	0.4
310.39096	0.4
334.16550	28.4
335.16800	2.8
634.28564	78.8
634.68719	1.5
635.18689	0.9
635.28973	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	635.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36457	0.1
59.01385	0.1
60.89820	0.1
61.98841	0.1
71.01351	0.2
71.61956	0.2
78.95895	3.2
79.95734	2.8
84.65134	0.1
85.02955	0.1
89.02425	0.1
96.96001	100.0
96.96886	4.4
97.95928	0.3
101.02435	0.1
107.59177	0.1
109.04007	0.1
113.02435	0.2
121.02886	0.1
125.21494	0.1
126.38054	0.1
134.03734	0.1
135.04491	0.4
141.23991	0.1
163.56888	0.1
164.04527	0.1
165.05519	0.2
173.04518	0.2
179.03539	0.7
179.04880	0.1
181.49820	0.1
191.05533	0.2
193.05029	0.3
195.06628	0.3
349.68231	0.1
357.97729	0.1
429.94046	0.1
488.73383	0.1
635.17310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
69.44046	1.4
71.01370	0.7
72.99291	0.3
78.95890	2.5
79.95726	3.0
85.02951	0.7
88.98770	0.2
89.02455	0.3
90.03526	0.2
93.03428	0.4
96.96001	100.0
96.96883	3.7
97.55746	0.2
97.95923	0.3
98.19855	0.4
101.02435	0.2
109.02934	0.3
113.02438	0.8
116.92829	0.3
121.02911	0.5
133.02898	0.2
134.03729	0.3
135.04504	0.3
137.02347	0.4
150.03195	0.5
159.04530	0.3
161.02441	0.4
165.01892	0.4
165.05566	0.7
173.04517	0.3
179.03487	0.6
180.04308	0.3
185.08231	0.3
191.05518	0.3
193.06656	0.4
195.06628	1.3
203.03433	0.2
208.05309	0.2
209.06081	0.7
211.03940	0.3
211.07565	0.5
212.04787	0.3
219.04538	0.4
221.06003	0.3
223.03905	0.4
227.03514	0.2
227.07085	0.3
229.07007	0.4
235.03862	0.2
237.05545	3.0
239.03485	0.7
239.07079	0.3
240.04160	0.5
241.04933	0.3
249.05452	0.2
253.05070	0.3
254.05731	0.4
255.06543	1.5
265.05066	3.4
266.05658	0.3
267.02927	0.6
267.06549	0.4
268.03677	0.3
281.04562	0.5
283.06073	6.1
284.06421	0.4
309.04047	1.5
327.05060	0.5
339.61942	0.2
399.06815	0.4
453.08112	0.7
550.49048	0.2
617.14874	0.2
635.16022	12.1
636.16327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	93.3
60.99301	1.4
61.98817	3.0
71.01358	2.4
72.00891	2.6
72.63727	0.9
73.02937	1.6
73.04025	0.9
74.02480	4.8
75.00858	0.9
76.93166	0.8
82.06597	3.3
85.02934	2.8
86.02464	2.0
86.46658	1.0
87.00887	1.1
88.98782	5.5
89.02423	2.4
92.05032	1.0
93.03458	4.0
96.95995	9.3
97.06587	2.6
98.20656	1.8
100.00404	8.8
101.02445	2.6
104.03539	5.7
105.01904	1.2
106.06618	1.7
107.05003	1.6
109.02919	1.1
111.00858	1.0
112.07719	0.9
112.98612	1.0
113.02408	1.1
113.06087	1.2
116.92816	1.3
117.03431	1.3
118.02959	1.3
119.05012	2.5
120.04542	3.2
121.02957	1.0
121.06641	0.9
122.02435	1.5
123.04507	6.0
124.03994	2.4
125.06066	1.5
126.09217	3.6
130.01448	5.5
130.08720	6.7
131.03728	2.0
132.04536	1.4
133.02928	2.5
133.03990	1.1
134.03738	1.6
134.06087	3.2
135.04504	6.7
136.04002	1.5
137.02411	1.8
138.05614	1.9
138.09219	1.9
139.00499	1.0
139.08789	2.6
143.11891	2.2
144.20683	0.9
145.02936	3.0
146.06067	2.3
147.04536	1.9
147.05621	1.4
148.07675	1.0
149.02473	2.2
149.03508	1.8
149.06041	3.3
150.05559	2.8
151.04056	1.0
151.07588	1.5
152.03462	1.2
152.07147	1.6
153.10257	4.2
154.05115	1.1
155.11884	4.7
156.06688	5.3
161.02443	3.2
162.05592	3.7
163.03993	3.6
163.06337	2.8
164.03487	1.1
164.04781	2.7
164.07146	9.7
165.05522	8.8
165.10275	1.6
166.05040	2.8
169.09805	1.7
173.04747	1.2
174.05582	2.4
176.07121	2.2
177.06799	1.1
178.05080	3.5
178.08751	0.9
179.03471	4.0
180.10300	2.2
187.10901	6.2
188.07161	1.4
190.02696	1.1
190.05080	1.3
190.08711	1.8
190.12274	2.4
192.06647	3.7
192.10239	1.4
193.04854	1.4
194.08234	1.5
195.06613	12.0
197.09296	4.3
200.10719	1.0
202.07249	1.1
203.34241	1.0
204.06624	1.2
205.04916	1.5
205.09850	1.2
206.05919	1.9
206.11809	11.9
216.10271	1.6
217.11888	3.7
220.05975	0.9
221.08176	3.1
223.06052	3.3
227.10339	3.5
231.11305	1.8
232.13315	2.3
233.13449	0.9
234.15047	2.0
242.61723	1.0
244.11984	0.9
245.12943	2.1
246.11295	1.1
246.14871	1.5
247.14362	1.4
248.09155	1.0
248.12834	7.4
258.11288	1.7
259.14429	3.6
261.12378	3.3
265.07166	5.6
271.14499	1.7
272.12607	1.2
273.12460	2.2
275.13974	6.5
277.37878	0.9
278.13962	1.1
287.13937	1.3
291.13672	1.1
291.17023	2.0
295.07986	1.6
301.15390	1.0
303.16946	2.4
305.14966	2.2
307.08194	1.4
307.12930	2.2
307.16382	0.9
312.17145	0.9
317.11917	1.1
317.15100	1.2
325.09213	2.8
333.18207	4.0
335.16077	1.3
349.14001	1.1
359.16104	1.0
377.17032	3.9
395.18103	1.1
409.16006	5.3
421.15997	1.0
437.19400	6.7
439.17380	5.4
440.18015	0.9
469.17807	1.2
470.18106	1.3
473.14902	1.1
481.18369	3.3
499.19666	1.2
530.19934	2.6
531.22186	1.0
533.21478	1.6
545.20917	4.3
548.21039	4.2
557.21204	4.1
573.24420	2.5
575.22314	6.3
605.23438	28.8
606.23859	4.2
617.23462	48.9
618.23798	9.8
634.40680	1.4
635.24475	100.0
636.24695	15.2
660.84747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
61.98821	16.5
67.01866	2.0
68.99555	1.8
69.98785	9.0
71.01366	6.6
71.16957	1.8
72.00900	3.0
73.02934	3.9
73.06365	1.8
73.43156	1.7
74.02458	3.8
75.21583	1.9
78.26100	1.6
78.95884	4.5
85.02953	3.2
87.00860	2.3
89.02433	2.3
93.03433	6.9
96.95998	12.2
97.02937	2.1
98.20571	2.4
100.00405	8.8
101.02399	7.3
107.04996	2.9
109.02917	2.7
110.98508	3.7
111.00845	4.7
112.07624	3.3
113.02451	2.5
117.03407	2.5
118.05095	2.1
119.05025	7.1
121.02869	2.2
123.04510	4.5
125.06126	2.2
125.07162	2.2
129.10269	2.3
133.02925	5.7
134.03709	7.5
134.06123	1.9
135.04497	30.6
137.02425	3.8
139.03955	2.0
139.08778	8.6
144.03006	2.4
145.02904	5.6
149.02420	3.4
149.06046	6.3
150.03127	1.7
150.05614	2.9
151.03996	4.6
153.05562	2.7
155.11940	2.1
160.01674	3.7
160.07660	2.1
161.02415	11.8
162.05551	2.3
163.04010	8.2
164.04720	2.9
164.07123	3.4
165.05493	6.1
165.06674	4.0
173.09268	5.5
175.03938	4.8
176.10791	3.4
178.05096	3.4
179.03474	8.2
183.07695	10.8
192.10274	10.4
193.04996	6.1
195.06628	16.1
217.09789	2.9
220.13353	4.1
223.06145	4.6
231.11362	3.3
232.60495	2.0
234.11298	10.4
249.12321	2.0
259.10846	3.9
261.12399	6.6
273.07532	1.9
277.15405	2.4
285.03873	4.0
290.06686	1.9
297.09573	1.7
313.27194	1.7
337.09308	6.3
339.09079	1.7
395.14487	3.6
455.16675	3.6
471.60831	2.0
473.14752	5.6
531.19763	22.5
532.20258	4.4
534.20160	3.0
540.85150	2.0
575.22803	4.9
591.21838	77.5
592.22028	8.4
635.24585	87.7
635.35345	6.0
636.24731	13.8
639.75922	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	635.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98814	2.9
64.49109	1.2
71.01379	1.6
72.00912	3.6
73.02919	1.2
74.02471	6.7
74.02824	1.2
75.00887	1.7
83.05015	2.3
85.02927	1.7
89.02399	1.4
93.03459	5.5
95.02454	1.4
96.96004	1.5
100.00391	10.5
101.02446	11.0
106.06634	1.3
107.05025	4.0
107.36668	1.0
109.02998	1.4
111.08003	1.0
112.07675	4.9
114.02000	1.0
116.07143	1.5
117.03476	2.4
118.05074	2.5
118.66152	1.1
119.04995	7.3
120.04504	1.9
121.02940	1.9
121.07705	1.2
123.04527	5.1
124.04007	1.8
125.06038	2.5
125.07139	1.9
129.10315	2.0
133.02879	2.0
134.03711	4.3
134.06126	2.1
135.04517	7.6
137.02417	4.1
137.06119	1.0
137.07162	1.2
139.08746	10.2
144.03011	2.0
145.02917	3.4
145.05365	1.8
147.05644	1.0
148.04027	1.2
149.03485	1.3
149.06097	5.8
149.07065	1.2
150.09204	1.7
151.03981	1.6
152.03424	1.3
153.01947	1.2
153.05449	1.3
160.07632	1.5
161.02438	5.8
162.05595	3.0
163.04001	18.2
163.05339	1.2
164.07140	3.0
165.05508	7.5
165.06693	4.0
166.08672	2.7
167.07030	1.2
173.09261	5.9
174.09242	1.6
175.03798	1.2
176.07126	1.7
176.10759	1.3
178.05042	2.4
179.03456	3.8
180.83102	1.0
183.07729	14.0
185.11797	2.6
189.06688	1.3
192.06760	1.1
192.10260	11.9
193.05031	2.8
195.06625	10.3
216.05362	2.0
217.09802	1.7
217.11745	1.4
218.11813	3.1
219.11505	1.2
220.09825	1.6
220.13353	2.1
231.11343	2.9
233.12975	1.9
234.11299	12.7
244.09818	1.5
245.12819	1.4
247.28012	1.1
249.12457	2.4
257.12955	2.2
259.10812	5.3
261.12378	6.1
264.12180	1.7
273.07651	1.5
275.14017	1.7
277.12119	1.8
277.15460	1.8
285.03958	3.9
291.13376	1.7
307.16824	1.2
335.12439	2.1
338.75183	1.1
351.15451	1.6
377.17212	1.8
379.14713	1.1
395.14359	6.0
396.14633	1.2
413.14120	1.3
431.15698	1.6
439.17221	3.6
455.16293	4.9
472.65277	1.3
473.14362	1.1
516.18652	3.1
531.19836	12.5
532.20319	1.9
534.20178	2.6
575.22394	2.6
591.21875	89.2
592.22107	13.3
592.63129	1.1
617.23480	2.7
635.24420	92.7
636.24780	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	636.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25228	0.1
57.03412	0.2
59.01369	0.8
64.01925	1.2
65.99813	0.1
69.62474	0.6
69.62890	0.3
71.01376	1.4
72.99281	0.2
77.20574	0.1
85.02940	2.1
89.02447	0.3
89.03980	0.3
92.75636	0.1
93.03435	0.2
95.01365	1.0
96.95995	0.9
98.20596	0.3
101.02451	0.2
105.03446	0.1
107.04998	0.7
108.02157	0.1
109.02942	0.3
113.02444	2.6
117.03462	0.3
118.03036	0.2
119.04971	0.2
119.11864	0.1
120.04533	1.8
121.02953	0.5
125.02470	0.2
130.03751	0.1
132.02173	0.5
133.02940	9.1
134.03735	2.3
135.04507	55.4
136.04842	2.0
143.03441	0.2
146.02466	0.6
147.03262	0.4
147.04443	0.1
148.04021	7.5
149.02428	0.2
149.04436	0.2
161.02422	24.1
162.02798	0.7
163.03943	0.2
166.05051	0.2
175.04088	0.2
177.05502	0.3
179.03470	100.0
180.03806	4.3
189.05589	0.2
201.05492	0.2
203.03560	0.7
217.04979	0.2
233.04521	0.4
245.04530	0.6
251.05544	0.4
284.56546	0.1
305.06613	0.3
323.07565	0.3
325.09244	0.7
341.61487	0.1
413.61243	0.1
469.13809	0.2
487.14508	8.4
488.14917	0.9
590.12463	0.2
636.19318	4.7
637.19073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.61923	0.3
61.98823	100.0
67.60738	0.4
70.68241	0.3
71.01389	0.6
84.33249	0.3
87.00949	0.4
89.02440	0.8
97.20087	0.4
101.02467	0.9
162.70203	0.3
179.05557	0.5
181.07214	1.0
455.35269	6.0
456.35599	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	637.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59790	0.1
59.01369	0.3
69.55935	0.5
69.56335	0.1
71.01367	1.1
78.95886	0.6
79.95729	3.1
85.02908	0.1
95.04998	0.1
96.95998	100.0
97.95940	0.3
111.00818	0.1
113.02453	0.1
115.00365	2.1
117.03429	0.3
118.03780	0.2
121.02998	0.1
133.02948	0.4
135.04518	0.4
145.02953	0.9
146.03258	0.7
147.03510	0.2
148.99115	3.6
149.02443	0.1
161.02415	0.8
162.02885	0.1
175.03969	0.1
179.03485	0.6
180.93929	0.1
191.05647	0.2
255.14778	0.1
275.09088	0.1
371.86859	0.1
377.12347	0.1
415.55371	0.1
487.17169	0.7
488.18091	0.1
511.79514	0.1
539.17596	0.3
637.23334	0.2
655.49451	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	637.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
69.03426	0.1
70.55637	0.4
71.01367	1.3
73.10818	0.1
78.95902	0.5
79.95733	3.4
82.14129	0.2
85.02928	1.3
87.00848	0.2
88.98804	0.2
89.02429	1.0
93.03450	0.3
95.01376	0.5
96.95998	100.0
97.95943	0.6
99.00900	0.2
101.02428	0.6
108.68369	0.1
109.02959	0.4
111.00842	0.4
113.02435	2.4
117.03420	0.1
119.03514	0.3
121.02948	0.2
123.04514	0.4
132.02138	0.6
133.02965	1.0
134.03722	1.8
135.04510	2.6
136.04843	0.2
137.02341	0.2
139.00363	0.2
149.02379	0.4
149.06075	0.3
153.01901	0.6
153.05496	0.3
160.01634	4.6
161.02425	3.7
161.04488	0.3
161.20216	0.1
163.03929	0.2
167.70689	0.2
172.32501	0.2
174.36975	0.1
175.03970	3.9
178.02632	0.3
179.03462	1.0
180.03751	0.1
193.04974	1.5
307.08209	0.4
308.08447	0.3
309.08725	0.4
316.09079	0.2
327.06967	0.2
354.84335	0.2
377.11713	0.2
387.09360	0.2
437.13300	0.4
461.16589	1.4
539.17609	0.2
599.18811	0.8
637.21185	6.9
638.21490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66973	2.6
57.03417	3.8
58.00562	3.0
59.01376	22.9
60.93866	2.6
61.11864	2.8
68.13945	2.2
71.01366	31.9
71.62214	3.4
71.62628	3.6
72.99285	9.0
75.00852	7.9
85.02945	26.9
85.80589	2.6
87.00882	3.0
89.02435	14.0
91.01869	12.6
93.03426	5.6
95.01357	11.8
95.01929	2.6
96.00908	3.0
99.00848	4.1
101.02431	6.9
109.02927	6.9
113.02443	48.5
114.01950	3.3
117.01949	3.1
119.01368	34.5
121.02907	16.8
123.04537	15.1
133.02953	21.8
133.05063	2.7
134.03673	10.0
135.02928	4.9
135.04512	66.5
137.02467	4.0
144.26761	2.5
145.02930	3.4
146.99782	4.2
147.00880	66.8
148.01605	5.7
149.02431	26.4
150.03185	5.3
151.03946	6.1
153.05536	6.8
160.01590	8.6
161.02463	29.2
161.04536	2.7
165.05513	7.1
167.03447	4.8
175.00362	33.1
175.02386	10.0
175.03929	11.7
176.01094	8.2
177.00467	5.1
177.01901	69.6
178.02498	5.2
179.03474	43.8
188.40982	2.9
193.04953	3.8
195.06549	6.6
196.35930	3.3
200.03787	3.6
206.69623	2.8
220.71710	2.7
235.05963	5.9
307.17383	3.2
315.10880	3.8
329.08508	3.1
441.13675	11.4
451.02316	3.1
461.16602	44.2
462.16580	2.9
475.14371	8.8
499.57632	3.0
547.38385	3.3
637.17517	100.0
638.17419	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	637.1765
Annotation	Oxoverbascoside
Peak:m/z	Relative Intensity
50.12416	0.6
54.09845	0.6
59.01352	3.1
65.60891	0.6
71.01366	3.1
71.33929	1.3
73.02909	0.7
75.00862	0.8
85.02934	2.3
89.02428	1.5
93.03435	1.9
95.01402	0.9
95.05005	0.8
101.02398	0.8
109.02946	29.6
113.02438	3.3
121.02929	3.8
123.04509	7.9
129.01909	1.4
132.02138	1.3
133.02946	26.6
134.03247	0.9
135.04515	5.5
137.02422	1.3
139.04002	3.7
149.02414	5.9
150.03143	1.1
151.03961	4.3
158.90848	0.8
161.02429	67.7
162.02774	2.9
165.01889	2.8
166.02681	2.9
167.03479	17.8
179.03473	3.6
182.65401	0.6
311.07703	2.2
315.14261	0.7
329.08734	9.1
330.09067	0.7
340.39032	0.8
438.11078	0.8
475.14481	41.9
476.14734	3.1
577.21552	1.0
614.16504	0.8
637.17627	100.0
638.17920	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	637.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87133	0.4
55.01875	0.6
57.03449	2.0
58.00575	0.5
59.01371	13.8
60.46545	0.4
69.03451	0.4
69.29939	0.9
69.30354	2.7
71.01374	15.5
72.99307	0.9
73.02939	1.3
83.01369	0.7
85.02938	16.2
86.03259	0.5
87.00882	1.0
88.90066	0.5
89.02438	7.7
89.03966	0.6
90.01302	0.3
93.03476	0.7
93.32574	0.4
95.01380	6.2
96.96003	1.2
101.02429	3.4
104.02690	0.5
107.05015	0.7
109.02966	0.6
113.02440	31.4
114.02789	0.6
116.92852	3.9
117.01958	0.8
117.03444	5.4
119.03487	1.7
119.05019	2.6
123.04517	10.6
131.03545	0.6
132.02161	21.7
133.02956	15.7
134.03732	21.9
135.04520	26.1
136.04863	0.9
137.02446	1.0
143.03505	1.4
145.02930	7.7
146.03314	0.5
149.02435	0.7
149.06058	2.8
150.03229	0.8
150.05536	0.5
151.04007	2.1
153.05563	11.5
154.05818	0.4
160.01640	89.5
161.02428	58.6
161.04576	1.7
162.02797	2.6
163.03966	6.5
175.03976	100.0
176.04330	3.9
178.02635	2.1
179.03490	4.2
180.03941	0.5
193.05031	19.7
194.05403	1.0
195.06604	0.7
211.06168	0.7
212.97615	0.4
235.06331	0.6
250.98203	0.4
265.07224	0.8
297.09686	1.2
315.10846	3.4
337.09323	0.6
443.15616	2.3
459.15021	0.6
461.16592	42.4
462.16846	4.1
471.01575	0.4
475.18024	1.3
491.15439	1.0
549.17230	0.6
577.28290	0.5
581.63800	0.4
593.19757	1.2
605.18719	3.2
637.21283	96.8
638.21600	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	637.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03445	1.8
59.01375	13.8
60.99308	1.3
61.98810	1.0
69.03458	1.2
71.01370	13.3
72.99294	13.9
73.02945	2.2
79.95731	3.1
81.94398	0.8
83.01383	1.6
84.68710	0.7
85.02944	11.1
87.00851	2.5
88.98797	7.8
89.02434	9.7
93.03423	0.9
95.01369	2.7
96.95998	100.0
99.00864	1.6
99.17709	0.8
101.02434	5.8
107.05056	0.9
109.02921	2.2
110.99776	0.6
111.04483	1.0
113.02435	22.3
117.03466	2.0
119.03497	2.7
119.05005	1.1
121.02916	1.3
123.04495	3.6
125.02486	0.8
132.02161	7.8
133.02928	9.2
134.03731	15.6
135.04510	33.8
136.04811	1.7
137.02382	1.4
143.03474	1.1
149.02464	1.2
149.04768	0.8
149.05978	3.5
153.01906	3.0
153.05569	3.8
160.01637	38.0
161.02423	32.8
162.02744	1.6
163.03987	0.9
173.04561	1.7
175.03976	41.3
176.04315	2.4
178.02628	1.9
179.03476	7.4
193.05034	15.6
207.06602	2.9
265.07202	2.0
297.09805	1.7
315.10785	12.7
327.07339	1.2
337.09283	0.9
384.43488	0.9
429.13962	15.8
430.14267	1.6
461.16611	15.4
462.16809	1.7
475.26169	0.8
491.15570	1.2
593.19635	2.1
601.25098	1.3
623.20392	1.1
637.21216	69.6
638.21631	9.0
658.05286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03432	1.7
57.59413	0.5
57.69721	0.5
59.01371	11.1
69.67225	2.9
69.67627	1.1
69.81693	0.5
71.01377	13.9
73.02950	1.0
80.69786	0.4
83.01373	0.5
85.02937	13.8
89.02426	4.9
89.79225	0.5
95.01375	4.5
101.02454	3.1
102.95323	0.4
105.41849	0.5
113.02435	27.3
117.03457	1.4
119.03510	1.1
123.04515	7.5
128.23412	0.7
132.02155	20.9
133.02956	6.2
134.03728	22.0
135.04520	22.5
136.04817	0.8
137.02362	0.8
143.03496	1.1
145.02921	1.2
149.06046	2.4
153.04410	1.0
153.05548	10.3
160.01634	92.1
161.02419	23.8
161.04538	1.1
162.02737	1.5
163.04030	1.3
163.13660	0.5
175.03973	100.0
176.04297	4.4
178.02647	1.8
179.03467	2.4
193.05025	17.9
194.05399	1.0
211.06003	0.6
244.30087	0.5
250.80338	0.6
265.07111	1.0
297.09827	0.9
315.10919	3.5
337.09338	0.6
373.12769	0.6
441.04910	0.5
443.15530	2.2
461.16562	42.0
462.11102	0.6
462.16736	3.7
491.15637	0.9
505.92902	0.5
519.42383	0.5
605.19061	0.9
637.21271	81.8
638.21582	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	637.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03432	1.2
57.18514	0.8
59.01374	11.8
61.98813	1.3
64.87868	0.7
71.01373	15.9
71.61295	1.0
73.02943	1.0
83.01334	1.6
85.02933	17.9
89.02422	6.2
95.01370	5.5
101.02411	3.1
112.21551	0.7
113.02442	35.0
114.02725	0.8
117.03448	6.0
119.03465	1.9
119.05049	1.8
123.04507	10.1
132.02161	22.7
133.02956	18.8
134.03749	20.3
135.04526	26.9
136.04860	1.6
145.02940	10.5
149.06026	2.1
150.03160	0.8
153.05559	11.4
160.01639	91.4
161.02435	57.7
161.04530	2.0
162.02734	2.2
163.03972	2.6
175.03976	99.6
176.04312	4.6
178.02725	1.7
179.03464	5.6
192.02010	0.8
193.05040	17.1
262.49518	0.8
265.07202	1.0
295.84100	0.9
297.09674	1.2
300.57370	0.9
315.10797	2.7
390.50064	0.8
443.15607	1.9
461.16574	44.4
462.16855	4.2
491.17474	1.9
637.21265	100.0
638.21619	17.9
653.01892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.3
59.01372	9.9
61.98816	1.0
69.34083	4.4
69.34507	2.9
71.01371	11.1
73.02902	1.7
74.91801	0.7
77.62616	0.7
85.02946	11.1
89.02441	5.2
95.01367	3.8
96.96049	1.3
101.02430	2.7
113.02442	23.8
117.03458	2.8
119.03483	1.7
122.60701	0.8
123.04507	2.3
125.02499	1.1
132.02145	8.8
133.02940	15.9
134.03738	13.7
135.04504	21.9
137.02415	1.4
145.02951	4.3
149.06038	3.5
153.05525	1.5
160.01640	37.7
161.02428	65.6
162.02754	2.1
175.03973	47.0
176.04350	1.5
178.02708	2.0
178.99797	1.3
179.03394	4.4
193.05037	12.1
227.03503	1.1
235.05974	1.0
236.12885	0.9
265.07104	1.2
271.02509	2.0
299.28888	0.8
323.85468	0.9
328.02182	6.2
329.02982	2.2
461.16559	15.8
462.16644	1.3
491.17178	1.8
637.21460	100.0
638.21680	16.1
666.40771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05124	0.3
55.71217	0.3
56.92038	0.3
57.03461	0.5
57.52868	0.4
59.01360	1.2
60.99301	0.9
67.01885	3.4
69.03432	0.5
69.77212	2.1
71.01367	1.9
73.02935	0.4
78.30055	0.3
81.03416	0.4
83.04999	0.6
85.02943	4.4
87.00861	4.8
89.78918	0.4
90.22732	0.3
91.37853	0.3
93.03448	22.0
94.03766	0.6
96.95966	0.9
109.02938	0.7
111.04519	3.3
112.00147	0.3
113.02402	1.0
119.05016	10.1
127.03999	1.0
129.01930	1.0
133.02982	2.0
135.04507	1.8
137.02473	0.4
137.06056	1.6
144.21680	0.4
145.02963	1.7
146.31557	0.4
150.05559	0.7
155.03465	1.1
161.02434	4.2
163.03979	16.7
164.04349	0.7
173.04539	7.6
179.03439	3.2
180.03856	0.7
191.05583	100.0
192.05939	3.5
238.98038	0.3
337.09290	33.9
338.09439	2.0
345.45938	0.4
475.14188	0.5
563.85797	0.4
610.90369	0.5
637.17725	0.8
638.21051	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	637.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56979	0.2
59.01371	3.6
61.75564	0.2
61.98832	0.6
71.01378	2.6
73.02950	1.2
75.00867	0.3
85.02954	0.6
89.02443	1.9
89.03941	1.8
97.02959	0.4
98.19822	0.5
99.00876	1.2
101.02438	1.4
105.01914	1.6
106.04249	0.3
113.02439	0.5
117.03458	5.2
119.05002	0.4
121.02908	0.3
125.02413	1.9
131.03467	0.5
132.02180	3.5
133.02893	0.3
134.03729	93.8
135.04008	3.0
137.02438	0.4
137.06036	0.3
143.03537	0.4
147.04532	0.6
148.05295	0.3
149.06078	8.3
150.06412	0.4
153.30066	0.3
160.01645	13.7
161.02104	0.5
167.10754	5.6
175.03983	13.5
176.04526	0.5
178.02664	1.0
179.03476	0.4
191.07225	0.6
193.05034	100.0
194.05359	4.3
206.05832	0.5
207.06552	0.3
217.05154	0.4
221.08188	2.3
235.06075	4.5
262.97064	0.2
265.07144	8.1
266.07632	0.5
286.47467	0.3
287.27451	0.2
307.08258	0.5
325.09244	9.1
326.09616	0.5
367.10284	6.7
368.10562	0.8
397.11322	5.1
398.11923	0.3
409.11102	0.6
427.12347	4.2
428.12811	0.3
463.27142	0.2
469.13449	25.1
470.13739	2.2
476.30072	0.3
595.93964	0.3
637.26447	1.2
637.37891	0.7
638.28046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90440	6.4
59.01368	44.3
61.98822	22.1
66.27213	6.5
71.01367	48.1
71.62164	10.3
73.02979	7.0
78.95898	15.4
80.96518	15.1
83.01389	11.2
83.38127	7.9
83.97224	8.3
85.02931	25.7
87.00854	48.6
89.02435	34.3
93.70646	6.4
96.95937	8.0
101.02430	28.0
105.65242	8.4
113.02448	38.5
119.03490	9.8
135.04483	9.1
143.03436	15.1
152.99626	15.2
161.02403	10.6
161.04578	18.0
162.90443	6.8
179.03360	7.0
179.05588	13.0
219.90805	6.6
225.00723	7.8
277.21692	100.0
279.23401	7.7
291.23328	20.4
301.21741	8.0
301.52484	7.1
319.22498	16.9
321.60999	8.0
323.09793	61.4
331.04477	8.0
333.32086	6.7
341.10776	96.3
473.36215	14.9
475.24722	38.9
475.30637	9.3
476.26175	7.5
577.27069	21.8
601.32086	59.2
602.31885	11.7
637.30627	68.8
638.31622	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	637.299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48524	4.5
53.71577	4.9
59.01374	39.7
61.98827	38.7
62.59044	5.0
71.01376	39.6
71.61983	5.0
78.95921	4.5
79.95728	5.2
80.96512	35.1
82.96129	6.0
83.01382	6.0
85.02946	8.2
87.00869	10.8
89.02438	52.0
93.06725	4.3
94.98061	8.0
101.02439	26.2
113.02435	23.0
119.03493	15.8
121.02944	25.7
143.03455	7.2
145.02948	11.2
146.03279	9.4
161.02394	6.9
161.04530	15.0
164.98592	10.0
179.03470	6.3
179.05568	19.3
213.78354	4.5
215.03239	19.0
225.00710	10.3
277.21710	100.0
278.22031	10.7
319.22751	5.9
323.09851	39.6
327.78128	4.8
331.24854	7.8
341.10855	72.0
355.92270	4.5
577.26837	59.1
579.26868	22.3
598.14526	4.8
601.32135	49.2
601.47229	14.3
636.38507	10.5
637.21173	5.7
637.29883	35.2
637.39948	27.6
638.30402	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	637.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15312	7.8
52.47816	8.2
59.01369	30.9
61.98825	26.9
71.01376	31.5
71.28078	15.4
73.02934	13.8
80.96512	39.4
89.02434	9.2
101.02473	11.3
104.68858	8.0
117.03472	10.5
125.02412	8.9
135.04514	23.9
145.02902	50.4
146.03290	12.3
193.58035	8.9
197.08226	9.2
203.93900	9.3
225.00708	19.6
277.21741	100.0
291.23215	38.1
301.21872	12.0
315.10730	21.4
319.22626	12.8
379.99414	9.4
404.70868	13.1
448.78140	9.8
555.28400	96.0
577.33368	43.6
617.38831	12.7
618.38361	16.0
656.33984	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	637.322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.1
59.01371	84.7
60.01719	0.8
60.99297	0.6
66.46874	0.5
69.93169	0.7
69.93563	1.8
71.01389	1.7
71.05009	2.3
74.14886	0.4
78.41045	0.4
78.56338	0.4
83.04994	0.9
85.02954	1.3
85.33726	0.4
87.00877	2.1
88.98796	3.1
95.01379	0.6
96.96017	1.5
98.79773	0.5
101.02452	0.7
104.86437	0.5
107.46912	0.5
113.02444	2.3
115.00345	1.5
119.04973	0.7
133.02936	2.5
135.04510	5.3
136.04861	0.6
148.99135	1.8
161.02426	9.9
161.09691	0.9
161.13272	2.2
162.02768	1.5
163.11240	1.6
179.03445	6.6
180.03802	1.3
187.11266	1.3
205.12369	0.8
207.10263	2.9
223.13364	100.0
224.13707	6.1
267.12329	41.4
268.12671	2.1
405.02942	0.5
461.16751	1.5
487.17053	1.0
623.20313	0.7
624.20636	0.8
651.18866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60723	0.4
53.75486	0.4
55.01656	0.3
55.01875	2.9
57.03445	2.0
58.00580	0.6
58.11853	0.4
59.01372	17.1
61.98835	1.0
69.03438	1.4
69.97136	0.4
70.25999	0.8
70.26395	0.9
70.33083	0.4
71.01374	28.0
72.99294	1.7
73.02938	13.5
75.00870	1.4
78.73557	0.4
81.03448	0.4
83.01372	6.5
85.02942	14.2
86.00081	1.1
87.00883	1.9
88.04023	0.8
88.98810	0.8
89.02434	6.5
95.01347	2.5
95.99632	0.4
96.95984	1.0
97.02920	2.2
99.00869	5.6
99.04504	0.8
101.02433	22.7
102.02750	0.6
111.00854	4.4
113.02433	9.5
115.04029	2.0
117.03466	0.7
125.02429	2.5
129.01892	0.9
129.06882	0.4
131.03493	1.7
133.02919	2.1
134.03717	3.9
135.04552	1.9
139.04031	0.4
141.01886	0.6
143.03496	1.0
145.02950	0.6
147.11356	0.4
149.02438	0.8
149.04510	0.9
152.03505	1.9
158.37947	0.4
159.02956	1.8
160.01599	0.8
161.02451	3.6
161.04495	2.3
163.03973	0.7
164.04759	0.8
171.13895	1.0
175.03929	0.8
176.04634	0.5
179.03493	1.5
183.11407	0.5
185.15486	0.4
191.05609	0.6
191.21884	0.4
193.05066	2.8
205.04919	0.5
207.13858	0.5
216.51422	0.4
223.06143	0.9
233.06628	1.5
243.22520	0.4
251.12846	1.7
265.07123	1.2
279.23257	1.7
293.08704	1.0
297.24442	1.1
337.14139	1.9
343.28397	5.1
344.28784	0.5
371.08896	0.4
385.60562	0.5
505.33762	23.9
506.34207	2.6
535.22668	1.1
589.91840	0.5
637.37946	100.0
638.38257	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	638.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.4
59.01377	1.5
65.62791	0.3
71.01372	2.7
71.39442	0.3
76.17059	0.3
85.02947	2.9
89.02453	0.8
93.03471	0.7
95.01391	1.4
95.05022	0.5
96.95995	0.4
98.20717	0.7
105.03470	0.9
108.02164	0.4
109.02963	1.2
113.02438	6.9
117.03457	1.1
121.02928	0.4
123.04508	18.0
124.04815	0.6
132.02179	2.2
133.02942	35.5
134.03351	1.2
135.04512	12.6
136.04852	0.4
149.02512	0.4
150.03200	2.3
150.05591	13.7
151.03995	9.5
151.05861	0.5
152.04285	0.4
161.02426	100.0
162.02792	2.8
163.04001	0.9
177.05531	0.4
179.03479	16.6
180.03847	0.9
191.05521	0.5
203.03505	1.0
220.34468	0.3
221.04645	0.4
325.09161	0.6
340.96439	0.4
451.44278	0.4
459.08841	0.4
459.14920	1.7
476.17685	4.7
477.17648	0.7
487.14325	1.4
528.17096	0.8
529.15686	0.5
570.09393	0.3
597.82495	0.4
603.76770	0.4
621.18164	12.6
622.18683	1.4
638.20795	43.5
639.20270	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	639.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.3
71.01370	4.6
72.99301	0.8
73.02941	0.8
85.02946	5.4
89.02446	2.8
92.77211	0.7
95.01400	2.0
96.96011	1.6
97.45273	0.8
98.19875	1.1
101.02415	1.9
105.03449	1.2
109.02944	1.8
110.56763	0.6
113.02450	10.2
121.02882	0.6
122.03779	0.8
123.04518	11.6
132.02174	2.0
133.02956	36.9
134.03677	1.4
135.04521	28.1
136.04877	1.1
149.02399	0.8
150.03224	6.7
151.04001	20.7
152.04301	1.3
161.02435	100.0
162.02742	4.9
163.03978	0.9
166.02672	1.3
175.04034	1.1
177.05489	1.4
179.03485	39.5
180.03789	1.5
181.05037	2.6
187.50111	0.7
190.02615	0.7
191.05595	1.2
192.02446	0.6
197.04428	1.1
203.03539	1.1
205.05048	1.1
254.35263	0.8
325.09009	1.2
345.93762	0.6
459.15018	3.9
477.14865	2.7
487.14688	3.9
529.15765	3.4
621.18134	28.6
622.18878	4.0
639.19116	35.2
640.19348	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	639.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75737	0.4
51.60107	0.4
59.01379	2.4
61.98828	0.4
63.60428	0.4
65.50655	0.4
69.03440	0.5
71.01375	4.0
73.02930	0.9
77.24883	0.4
82.77095	0.4
85.02949	1.7
89.02453	1.5
89.03960	0.4
91.05531	0.6
93.03458	1.2
96.96002	0.7
97.62022	0.4
99.00858	1.0
101.02453	1.5
111.00891	0.4
113.02431	1.6
117.03452	1.2
119.01373	0.7
121.02943	9.5
123.00844	1.2
123.04503	0.5
124.01665	3.5
125.02410	1.3
125.87228	0.4
131.03471	0.5
132.02142	1.0
133.02951	1.2
134.03743	0.8
135.04535	3.5
137.02440	1.4
139.04016	1.4
147.00877	0.4
147.04521	4.0
149.02431	59.5
150.02769	2.4
151.03958	0.6
152.01169	0.7
161.02437	3.1
163.04012	1.4
164.04782	48.8
165.05135	1.6
167.32779	0.4
175.00357	3.7
177.01886	2.9
179.03482	1.8
179.07120	4.6
181.05145	0.5
190.02708	7.2
193.01312	1.5
205.05049	11.1
206.05286	0.7
208.03731	4.9
223.06082	100.0
224.06462	4.5
229.28995	0.4
275.07767	1.8
293.08755	0.7
415.12286	0.5
499.14493	2.2
639.18854	7.3
640.19470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92533	0.7
52.91586	0.8
53.32903	0.7
55.82804	0.7
59.01374	7.6
61.42570	0.7
61.98814	1.6
71.01371	8.1
71.62186	0.8
72.99304	0.8
73.02956	1.2
83.01437	0.8
85.02949	7.4
87.00840	1.7
89.02447	2.7
93.03452	1.1
95.01402	2.5
96.95998	2.2
97.02947	0.8
99.00893	0.8
100.23938	0.8
101.02439	3.2
105.03445	1.3
107.05057	0.9
109.02918	4.9
113.02437	10.8
116.20702	0.8
116.92881	1.3
117.03431	1.2
121.02974	1.5
122.03749	1.2
123.04517	14.2
125.02443	2.1
131.03558	0.9
132.02168	1.7
133.02942	31.1
134.03775	6.9
135.04509	56.1
136.04851	2.3
143.03499	1.3
145.02982	1.0
149.02417	4.0
149.06050	1.8
150.03214	11.0
151.03989	22.0
153.05550	1.7
160.01662	1.6
161.02425	100.0
162.02745	5.8
162.74304	0.8
163.04031	1.8
164.04759	0.8
165.05531	1.5
167.03410	0.9
175.02576	1.2
175.03899	3.6
177.05519	2.1
179.03477	64.2
180.03796	2.5
183.36984	0.7
187.03865	0.9
189.05534	0.9
190.02603	0.8
191.03421	1.2
193.05058	4.4
203.03452	1.1
205.05070	1.5
208.13475	0.8
221.04504	2.0
223.06068	1.1
233.04524	6.3
245.04599	1.7
251.05563	15.6
252.05925	1.5
265.07339	1.1
305.06638	3.1
315.10867	1.4
323.07669	12.5
325.09277	1.3
404.62225	0.8
443.15417	1.2
459.14948	3.2
471.13235	0.8
477.13922	20.9
478.14307	2.9
487.14441	7.8
488.14954	1.1
529.15546	6.3
621.07813	1.5
621.18195	48.1
622.18762	6.6
639.19043	48.6
640.19458	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	639.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58716	0.2
56.75864	0.1
59.01379	0.9
64.90775	0.2
67.19357	0.1
83.71519	0.2
85.02938	1.3
89.02431	0.6
89.03975	0.2
95.01392	0.5
101.02442	0.3
105.03481	0.5
109.02940	0.3
113.02440	2.8
115.01857	0.3
119.05008	0.3
123.04520	0.6
132.02168	2.1
133.02942	100.0
134.03259	3.1
135.04497	3.2
135.98314	0.2
136.04839	0.3
150.03230	0.2
151.03986	0.9
160.01685	0.2
161.02435	5.7
161.04501	0.4
162.02783	0.2
163.04010	0.6
170.07947	0.2
177.01910	28.4
178.02301	1.2
179.03482	1.2
187.95145	0.2
205.05086	0.2
230.57471	0.3
267.59708	0.2
315.10709	0.3
461.16592	8.8
462.16547	1.0
477.15344	0.3
607.16760	0.4
621.17859	0.7
639.19128	13.7
640.19568	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	639.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67223	0.9
51.99214	1.1
55.01859	1.5
59.01370	100.0
60.99290	1.1
61.98815	8.9
65.47636	0.9
66.46582	0.9
67.01882	9.4
68.99809	11.2
69.03445	5.5
69.39504	0.8
71.00983	1.7
71.01369	28.0
71.61757	1.7
73.02934	41.5
75.00883	1.0
75.37224	0.8
78.18816	1.1
81.03457	1.9
83.01369	10.4
83.05005	3.2
83.48311	1.0
83.59834	0.9
85.02930	11.6
87.00863	4.6
88.98797	8.3
89.02435	7.9
91.05486	1.1
93.03445	28.1
95.01384	5.5
96.95987	3.0
97.02920	1.3
99.00859	4.0
99.04526	2.4
101.02428	46.7
107.05013	4.2
109.02935	2.8
111.00864	41.0
111.01637	2.0
111.04504	19.0
111.05206	0.7
113.02429	18.9
117.03394	1.7
119.03527	5.1
119.04996	10.2
121.02919	8.8
123.04500	2.0
125.02431	3.0
125.06026	1.2
125.93652	1.0
127.03994	16.7
131.03497	2.6
132.02136	3.8
133.02937	7.6
134.03729	6.8
135.04507	35.9
136.01611	1.7
137.02405	18.1
137.06047	2.8
139.00349	24.0
143.03508	4.8
145.02895	1.5
147.04512	1.6
149.02373	3.0
149.04524	5.5
149.06064	2.2
151.03960	4.0
151.07597	4.1
153.01889	2.8
153.05544	17.4
153.09158	1.2
155.03503	2.3
160.01636	9.2
161.02417	26.0
161.04472	9.5
162.02937	2.1
163.03975	16.9
165.01855	6.3
165.05458	1.6
171.03006	1.5
175.03969	16.9
177.05516	4.3
179.03468	20.6
189.01859	1.9
193.04948	8.6
195.06607	29.1
196.06993	1.6
203.05496	1.4
207.03001	6.1
221.04491	3.2
221.06593	2.5
239.05557	9.0
255.51857	1.0
273.07635	24.5
274.07889	1.6
275.05594	17.5
276.05923	1.3
281.06573	2.2
282.70334	1.0
287.09122	1.7
293.21036	1.0
298.08444	6.3
307.08176	82.3
308.08511	4.8
313.10794	8.9
315.08685	32.8
316.09070	3.5
333.09738	13.3
343.07999	5.6
343.11829	6.2
344.51294	1.0
353.08551	2.6
357.09598	4.2
361.09033	3.0
375.10760	12.1
389.10388	3.6
403.10110	3.6
417.15875	1.4
435.12888	11.1
436.13171	1.6
455.11905	10.6
456.11783	1.4
477.12659	1.9
492.25095	1.0
511.14117	1.4
577.19238	8.3
579.17163	1.1
597.18164	8.6
598.18549	1.5
639.17462	17.3
639.26453	2.9
640.18469	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	639.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72650	1.0
53.11940	1.1
57.03436	1.2
58.00566	1.3
59.01372	55.7
61.98819	2.8
62.41204	0.9
67.01894	2.3
69.03445	60.3
71.01379	14.2
71.61826	1.3
72.80670	1.0
72.99294	1.6
73.02924	1.0
78.95891	1.1
83.01389	2.7
83.05005	2.9
85.02924	3.8
87.00852	4.9
89.02435	14.1
93.03396	1.3
93.07064	2.0
95.01363	2.7
95.05016	21.4
101.02429	10.8
106.04211	3.8
107.05002	4.0
111.00864	2.3
111.04444	1.1
112.98565	1.2
113.02450	12.2
119.03485	4.9
119.04975	2.1
120.05782	2.1
121.02949	8.4
121.06577	24.6
123.04507	4.3
125.06062	1.1
133.02937	5.8
134.03723	11.7
135.04510	14.1
137.02394	1.7
137.06062	1.3
139.00375	7.5
139.07646	8.9
143.03479	1.5
147.04489	1.1
152.04657	1.9
155.94113	1.1
159.08139	1.3
160.01639	3.6
161.02431	13.8
161.04483	1.3
161.09706	10.0
161.13330	3.0
165.05521	12.0
175.03949	3.6
179.03441	8.3
179.05643	1.2
183.06548	3.5
187.11232	12.0
189.09218	5.6
193.05040	13.5
203.10767	2.9
205.12286	4.1
209.04453	5.5
223.13336	9.4
249.11221	4.5
259.20264	1.1
267.12329	8.2
309.13342	2.6
345.11856	18.3
345.22037	3.1
369.15475	7.9
371.20020	1.3
389.10846	13.0
389.21027	1.9
411.16400	3.2
415.18994	2.5
429.17584	7.3
433.19965	1.7
455.11771	7.2
459.17920	2.4
477.18982	3.7
551.24750	2.3
595.23914	32.6
596.24396	3.8
621.21497	3.0
639.22852	100.0
640.23157	14.6
648.07196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72650	1.0
53.11940	1.1
57.03436	1.2
58.00566	1.3
59.01372	55.7
61.98819	2.8
62.41204	0.9
67.01894	2.3
69.03445	60.3
71.01379	14.2
71.61826	1.3
72.80670	1.0
72.99294	1.6
73.02924	1.0
78.95891	1.1
83.01389	2.7
83.05005	2.9
85.02924	3.8
87.00852	4.9
89.02435	14.1
93.03396	1.3
93.07064	2.0
95.01363	2.7
95.05016	21.4
101.02429	10.8
106.04211	3.8
107.05002	4.0
111.00864	2.3
111.04444	1.1
112.98565	1.2
113.02450	12.2
119.03485	4.9
119.04975	2.1
120.05782	2.1
121.02949	8.4
121.06577	24.6
123.04507	4.3
125.06062	1.1
133.02937	5.8
134.03723	11.7
135.04510	14.1
137.02394	1.7
137.06062	1.3
139.00375	7.5
139.07646	8.9
143.03479	1.5
147.04489	1.1
152.04657	1.9
155.94113	1.1
159.08139	1.3
160.01639	3.6
161.02431	13.8
161.04483	1.3
161.09706	10.0
161.13330	3.0
165.05521	12.0
175.03949	3.6
179.03441	8.3
179.05643	1.2
183.06548	3.5
187.11232	12.0
189.09218	5.6
193.05040	13.5
203.10767	2.9
205.12286	4.1
209.04453	5.5
223.13336	9.4
249.11221	4.5
259.20264	1.1
267.12329	8.2
309.13342	2.6
345.11856	18.3
345.22037	3.1
369.15475	7.9
371.20020	1.3
389.10846	13.0
389.21027	1.9
411.16400	3.2
415.18994	2.5
429.17584	7.3
433.19965	1.7
455.11771	7.2
459.17920	2.4
477.18982	3.7
551.24750	2.3
595.23914	32.6
596.24396	3.8
621.21497	3.0
639.22852	100.0
640.23157	14.6
648.07196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33977	0.3
53.79663	0.3
57.03450	0.5
59.01375	6.0
61.98814	2.3
68.99553	0.5
71.01373	3.1
72.46480	0.4
72.99291	0.4
73.02943	1.3
73.72186	0.3
75.00890	0.5
83.02325	0.3
83.79529	0.3
85.02962	1.7
88.98766	0.5
89.02438	2.9
89.03957	1.0
93.03475	0.7
95.01418	0.5
99.00854	1.2
101.02439	2.5
106.04217	0.6
111.00862	1.0
111.04525	0.5
113.02431	2.7
114.93425	0.4
116.92853	0.4
117.03455	4.6
119.03530	0.5
119.05045	0.4
127.03992	0.4
129.10329	1.1
132.02150	2.6
133.02985	0.9
134.03728	81.5
135.04233	2.6
137.02437	1.1
139.00400	0.5
145.02988	0.4
147.04478	0.8
149.02434	0.3
149.06070	6.7
153.05614	0.5
160.01636	10.6
161.02423	2.6
161.04584	0.5
163.04001	0.9
164.07172	1.0
171.11281	0.7
175.03979	9.8
176.04323	0.3
178.02687	0.6
179.03529	1.6
193.05031	100.0
194.05373	4.4
195.06647	1.0
229.59013	0.4
233.16663	0.4
239.05690	0.4
265.07086	0.6
273.07660	0.5
285.01187	0.4
285.04114	1.3
307.08182	2.4
315.08704	0.8
319.16626	3.1
325.09473	0.4
350.76883	0.3
354.13257	0.3
375.10812	0.4
380.74136	0.3
435.12964	0.6
465.62241	0.3
577.19568	0.6
597.18390	0.7
639.26666	12.7
640.26978	2.2
667.53491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
57.28539	0.3
59.01371	8.6
60.01694	0.3
61.98821	1.9
68.99808	0.3
69.03419	0.5
71.01376	4.0
71.69801	0.3
72.99290	0.5
73.02929	1.5
75.00833	0.3
83.01375	0.6
85.02940	2.2
88.98818	0.3
89.02430	2.5
89.03964	1.2
93.03462	0.9
93.31811	0.3
94.98867	0.3
95.01357	0.7
96.95979	0.3
97.89807	0.2
99.00880	1.3
101.02419	3.4
105.40413	0.2
106.04276	0.4
108.95797	0.2
111.00859	1.0
111.04556	0.3
113.02437	4.2
115.48873	0.2
115.88112	0.3
116.92875	0.6
117.03447	4.7
119.03483	1.0
119.05036	0.6
121.02973	0.3
123.04488	0.3
123.99899	0.3
125.02467	0.3
127.03986	0.6
131.03491	0.5
132.02151	2.2
133.02924	0.9
134.03725	79.3
135.04420	1.9
136.05275	0.4
137.02434	1.0
139.00380	0.6
143.03523	0.4
145.02965	0.5
149.04756	0.3
149.06062	6.6
150.06398	0.4
153.05589	0.6
160.01636	10.3
161.02454	1.4
161.04572	1.2
163.04008	1.1
165.05638	0.3
175.03964	10.1
178.02640	0.4
179.03485	1.1
193.05028	100.0
194.05360	4.7
195.06598	1.5
233.06573	0.4
239.05577	0.7
269.04474	1.7
273.07645	0.9
275.05453	0.3
285.04050	0.4
307.08081	2.2
315.08627	0.9
333.09726	0.5
375.10907	0.8
435.12985	0.8
522.20917	0.4
537.87872	0.4
577.13367	1.0
597.18030	1.7
639.26526	12.3
640.27197	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	639.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19600	5.8
59.01373	37.4
61.98817	19.6
66.03029	6.7
71.01375	49.5
71.31264	9.0
86.56895	6.1
87.00874	10.2
89.02414	44.0
90.66940	5.7
92.65387	6.6
96.09399	7.4
96.96027	8.4
101.02430	19.2
113.02419	21.9
119.03458	16.5
119.88262	6.4
136.43228	7.2
145.09839	7.1
161.02444	14.4
161.04556	6.6
179.03548	10.9
179.05531	23.8
187.06274	6.4
197.63792	6.6
215.03259	15.1
233.00807	6.5
279.23242	100.0
323.09836	36.7
341.10855	56.6
436.25116	8.0
603.33923	44.7
639.31256	38.3
640.31580	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	639.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
58.00564	0.8
59.01376	12.1
61.98814	2.2
62.17754	0.7
71.01377	14.2
73.02940	3.7
83.01380	2.1
85.02934	10.3
87.00863	1.9
87.04497	0.8
89.02437	10.3
96.95970	2.5
97.02936	1.5
98.20261	4.8
99.00860	1.6
101.02432	16.5
113.02429	7.3
119.03486	3.5
119.04937	0.8
121.02951	0.9
131.03464	3.2
137.81552	0.8
143.03424	1.1
145.02821	1.2
145.05093	3.9
161.02446	1.5
161.04556	7.8
163.06105	32.8
175.05966	0.8
179.05608	1.1
205.07156	9.6
211.23453	1.0
235.08247	1.5
277.21677	17.1
278.21939	2.0
325.11349	100.0
326.11548	5.0
341.10696	0.8
343.12085	1.3
458.42368	1.0
472.74478	0.8
603.33344	4.2
639.30933	11.7
640.31531	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	639.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71134	1.0
56.55930	0.9
57.03445	1.1
58.00579	1.5
59.01373	50.8
60.38280	0.9
61.98811	7.4
71.01372	44.8
71.18328	2.1
72.99283	3.1
75.30393	1.0
78.95895	3.7
81.86126	1.1
83.01357	2.9
83.23667	0.9
85.02943	7.9
87.00848	9.2
89.02431	50.2
91.01697	1.1
95.01360	2.7
95.75426	1.0
97.02968	1.3
99.00869	1.0
101.02435	24.2
111.00897	1.0
113.02438	22.4
115.71638	1.0
119.03482	20.2
123.61702	1.1
125.02440	1.5
129.01865	1.2
131.03464	2.5
141.01920	1.4
143.03465	7.9
149.04456	1.4
152.99582	1.4
161.02347	1.4
161.04547	9.1
172.12955	1.0
179.05591	19.9
188.92012	1.1
218.06386	1.0
237.73027	1.2
255.23256	100.0
256.23599	7.4
269.22147	1.2
269.24820	5.9
279.23209	2.1
297.24261	3.7
323.09763	36.1
324.10193	1.7
341.10825	60.6
342.11237	4.5
379.28674	1.1
483.27350	1.7
491.23312	1.1
522.70435	1.1
579.33752	33.0
580.33966	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	640.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98824	100.0
62.29533	0.2
71.01368	0.3
82.18246	0.1
83.01390	0.2
85.02962	0.2
88.98820	0.3
89.91278	0.2
98.20616	0.4
105.01913	0.3
107.05054	0.2
113.02462	0.2
119.05083	0.2
119.66269	0.2
123.04501	0.2
135.04547	0.5
149.02477	0.3
149.06161	0.2
151.00363	0.2
161.02444	0.3
179.03543	0.4
223.06155	0.3
240.04251	0.2
268.03732	2.3
269.04507	15.3
270.04797	1.2
577.15540	11.4
578.15833	1.5
605.19220	0.2
640.19855	0.3
641.22430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.7
61.45363	0.6
61.98823	47.7
71.01371	4.0
72.99298	0.8
73.02926	1.5
82.12577	0.6
82.95416	2.3
84.95117	1.5
85.02938	1.3
88.98811	2.0
89.02430	4.4
96.96005	1.2
98.19801	1.4
99.00865	3.2
101.02398	3.0
107.05033	1.7
109.02963	2.0
111.00835	0.7
113.02470	1.1
116.92873	0.6
117.03449	2.1
119.05035	2.8
120.05301	0.7
123.04487	1.0
131.03487	1.3
132.02161	1.3
133.02939	17.5
134.03740	9.2
135.04509	94.6
136.04858	3.5
137.02458	1.6
145.02933	1.1
149.04543	1.1
153.01886	2.9
153.09221	2.5
154.02258	0.9
154.09550	1.2
160.01624	2.6
161.02426	52.2
162.02733	3.0
163.03987	6.3
164.04350	1.6
175.04042	3.4
176.04366	1.2
179.03468	57.2
180.03828	3.0
193.05046	3.6
197.08151	4.4
198.08540	1.4
215.09177	0.7
218.92522	0.6
237.70630	0.6
240.72632	0.7
249.32413	0.6
250.30161	0.6
269.04510	1.3
285.03983	5.2
286.04324	1.8
371.23563	0.7
428.39795	0.6
455.11996	1.0
479.21082	1.5
490.10672	1.2
577.19141	100.0
578.19489	14.2
640.27148	3.5
641.25153	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	640.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.3
61.98823	49.4
66.88388	0.7
71.01370	5.0
72.99295	1.3
73.02935	1.8
81.41002	0.6
82.95408	1.7
84.95161	0.8
85.02946	1.2
87.00881	1.2
88.98816	2.1
89.02434	5.7
96.96004	1.3
98.19807	1.2
99.00867	2.5
101.02451	2.0
107.05001	2.3
109.02930	1.8
113.02427	1.9
116.92857	0.9
117.03458	2.4
119.03473	0.7
119.05016	3.2
120.05353	0.7
125.02419	0.7
131.03493	0.6
132.02202	1.5
133.02945	18.1
134.03740	9.0
135.04509	91.5
136.04855	4.0
137.02425	1.9
137.06058	0.7
137.84346	0.7
145.02957	1.6
151.00333	0.9
153.01917	2.6
153.09186	2.6
154.02242	0.7
160.01654	2.5
161.02425	52.4
162.02739	2.2
163.03946	5.0
164.04398	1.2
175.03914	3.3
176.04355	0.8
179.03465	54.4
180.03793	3.0
193.05000	3.2
194.05428	0.9
197.08200	3.5
198.08524	1.2
201.94135	0.7
215.09097	0.8
223.03391	0.7
229.74292	0.7
269.04572	1.1
269.65939	0.6
285.04016	4.5
286.04315	1.6
363.21671	0.7
404.18906	0.7
415.58765	0.8
479.21457	1.1
577.19159	100.0
578.19452	13.4
640.27124	3.7
641.24725	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	640.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00289	0.5
56.06916	0.4
59.01364	5.9
61.98822	46.3
69.03487	0.6
69.23688	2.5
69.24123	2.3
71.01373	5.3
72.99303	0.9
73.02943	1.5
81.38342	0.5
82.95412	1.6
83.01350	0.6
84.95103	0.9
85.02927	1.2
87.00911	0.5
88.98803	1.5
89.02438	6.5
95.01324	0.5
96.96021	0.8
99.00871	3.1
101.02441	2.3
107.05029	2.1
109.02937	2.0
111.78819	0.5
113.02431	1.6
117.03478	2.4
119.03488	0.9
119.04993	2.6
121.02955	0.8
131.03508	0.8
132.02138	1.1
133.02939	17.3
134.03735	7.6
135.04509	95.0
136.04846	3.4
137.02420	0.6
145.02928	1.1
149.04633	1.1
149.05952	0.5
153.01920	2.1
153.09207	1.3
154.02275	0.7
154.09492	0.5
160.01657	1.8
161.02420	50.7
162.02779	2.2
163.04002	3.9
175.03964	1.9
176.04352	0.9
177.05566	0.5
179.03470	57.1
180.03831	2.5
193.05069	2.4
194.05338	0.9
197.08217	2.9
284.03149	0.5
285.03882	3.1
286.04373	2.0
455.11578	0.9
472.15726	0.6
479.21231	1.3
577.19122	100.0
578.19464	15.4
622.15686	0.8
625.22076	1.3
633.65057	0.6
640.17682	1.3
640.27362	2.9
641.25330	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	641.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.9
59.01370	28.1
67.01884	1.5
69.26883	1.5
69.27297	5.4
70.40481	0.6
71.01370	16.3
77.04343	0.6
83.01394	0.9
85.02940	3.5
87.00847	1.4
89.02427	19.1
93.03449	6.7
95.01370	1.9
101.02419	12.9
107.05009	0.8
111.04555	0.8
113.02434	8.8
119.03507	8.1
119.05006	81.3
120.05349	2.4
121.02957	0.8
123.04510	1.8
131.03496	1.1
135.04509	33.3
136.04855	0.8
137.02376	1.8
143.03523	0.7
145.02994	1.5
151.03989	2.0
153.05560	2.5
155.03368	0.7
161.04518	1.6
163.03983	89.4
164.04332	3.9
164.23883	0.7
165.94162	0.7
173.04512	27.6
179.05586	1.1
191.05583	3.1
266.48700	0.7
315.10803	100.0
316.11188	6.7
325.09241	29.4
326.09567	2.2
391.92978	0.8
442.36911	0.8
455.75702	0.7
469.36368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2078
Annotation	Leucocyanidin 4',7-dimethylether 3-O-rutinoside
Peak:m/z	Relative Intensity
57.03446	1.4
59.01369	14.1
69.71470	6.0
71.01377	21.0
72.99300	33.2
73.02950	2.3
75.00859	2.2
76.93616	1.1
85.02944	19.0
89.02441	10.2
93.03425	1.1
95.01386	6.4
96.00726	1.3
98.19895	2.2
101.02435	4.6
108.02128	1.6
109.02927	4.1
113.02435	47.9
117.03439	2.6
119.03491	2.1
120.41848	1.0
122.03718	1.6
123.04507	29.3
132.02190	1.4
133.02931	27.8
134.03627	2.2
135.04506	64.0
136.04837	3.8
137.02423	60.3
137.03500	2.5
138.02750	1.3
139.03967	1.5
139.93428	1.1
143.03523	1.4
149.02452	3.0
150.03409	1.1
151.03990	20.4
152.04321	1.2
153.05544	7.0
161.02423	98.0
162.02747	8.1
163.03020	1.7
179.03465	39.4
180.03828	3.6
197.04526	27.9
202.00294	1.2
297.09692	2.4
315.10849	5.3
443.15695	1.4
461.16541	17.5
462.16595	1.2
503.17636	3.6
611.19763	5.3
623.19659	58.5
624.19971	8.2
641.20758	100.0
642.21088	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	641.2082
Annotation	Leucocyanidin 4',7-dimethylether 3-O-rutinoside
Peak:m/z	Relative Intensity
57.03429	2.8
59.01371	18.5
59.41540	1.1
60.92377	1.0
61.64547	1.0
71.01371	31.2
72.99284	4.3
73.02923	2.2
83.01377	1.8
85.02946	31.2
89.02451	11.8
93.03444	4.9
95.01376	11.4
99.00849	1.8
101.02412	4.8
107.04987	2.2
108.02154	2.7
109.02903	4.1
113.02435	70.4
114.02738	2.0
119.03503	3.0
120.99553	1.1
121.02962	6.1
123.04511	33.3
132.02153	2.1
133.02946	27.9
134.03259	1.6
135.04512	100.0
136.01653	1.4
136.04834	5.2
137.02429	81.7
137.06050	2.6
138.02734	2.1
139.04007	14.8
143.03432	1.9
149.02419	24.8
151.03972	4.8
152.01067	2.0
153.05537	10.6
159.16422	1.2
161.02425	85.5
161.04553	3.8
162.02777	7.1
163.04019	1.5
167.03474	5.8
177.01025	1.1
177.05511	3.5
179.03455	26.0
180.03755	2.1
197.04546	4.0
209.04523	4.3
221.04594	2.3
221.12894	1.1
239.05597	3.8
239.09172	1.8
251.05594	2.5
297.09644	2.3
315.10828	8.6
459.13464	1.2
461.16516	26.6
461.95825	1.2
462.16989	2.3
479.11838	3.9
503.17719	4.0
525.14282	1.4
611.19708	79.0
612.20056	12.1
623.19702	79.2
624.20160	14.0
641.20746	78.8
642.21185	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	641.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.3
59.01370	10.6
61.98808	1.5
65.00332	0.6
65.33703	0.7
66.30775	0.7
71.01369	11.1
71.62381	1.0
72.99303	30.1
73.02919	1.4
75.00854	2.4
79.39533	0.7
82.36839	0.6
83.01392	1.0
85.02940	10.1
87.00864	1.0
88.98772	2.7
89.02437	6.5
93.03441	0.9
95.01363	3.7
96.95984	6.0
99.00854	0.8
101.02438	3.4
103.76609	0.7
107.05020	1.1
109.02936	2.4
113.02435	21.9
117.03458	0.8
119.03492	1.8
119.04958	0.9
120.99639	9.4
121.02925	1.2
122.03715	1.3
123.04510	23.6
125.02354	0.9
131.03520	0.9
133.02934	2.1
134.03751	4.2
135.04509	42.5
136.04863	1.1
137.02400	1.5
137.09735	0.9
143.03461	1.3
149.02411	1.2
150.03215	2.1
151.03998	17.9
153.01920	0.8
153.05551	6.2
155.10748	1.0
161.02417	7.3
161.04544	0.8
164.04776	0.9
165.05518	0.8
179.03481	34.1
180.03812	1.5
181.05124	0.7
191.05539	2.0
193.05003	1.3
195.06534	1.4
197.04524	30.3
198.04903	1.0
223.06111	1.1
302.88898	0.8
315.10831	2.7
440.02228	0.8
443.15472	1.2
461.16428	6.4
479.15381	1.3
489.15549	0.8
611.56989	0.8
623.19421	2.0
641.20752	100.0
642.20990	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	641.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15235	0.5
59.01368	5.8
61.98824	100.0
62.76385	0.6
62.98534	1.1
65.89229	0.6
68.14323	0.6
70.15372	2.3
71.01380	2.3
73.02955	2.0
73.64802	0.6
85.02964	0.9
89.02433	1.8
99.00909	1.5
101.02444	1.9
111.00863	0.6
111.37340	0.6
113.02489	1.0
116.92831	4.8
117.01924	2.7
117.03449	0.8
122.77328	0.6
125.02444	1.1
133.02975	2.6
134.03745	6.6
135.04558	8.4
137.02435	1.3
147.04501	0.8
149.06085	0.8
151.00385	1.2
160.01703	1.4
161.02414	6.1
162.02910	0.7
163.03993	0.7
164.07217	0.6
175.03963	1.4
179.03452	3.8
181.57271	0.6
193.05025	6.5
194.05423	2.6
196.56477	0.6
239.27342	0.7
285.04077	1.6
287.05457	1.9
291.08737	1.6
308.39331	0.6
338.92368	0.6
353.15042	0.6
376.78632	0.6
411.08749	0.6
455.12170	0.9
464.74274	0.7
477.59967	0.6
479.21387	3.6
573.17181	1.0
578.19861	1.7
641.25665	4.7
641.37427	1.7
646.34991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	9.5
67.85226	0.9
69.36155	6.8
69.36556	1.8
80.05048	8.8
94.06638	2.1
95.44216	0.8
96.96009	4.5
104.05032	2.8
106.06606	3.0
107.03757	5.6
120.04530	2.8
120.08178	1.7
121.05317	2.8
122.06110	39.6
123.06425	1.2
130.06589	0.8
132.04539	2.4
132.68651	0.9
134.06111	12.8
139.02740	2.4
148.03989	2.4
150.05565	1.4
152.07147	48.4
153.07477	1.9
160.03964	2.2
160.06384	7.6
161.04655	1.4
164.07132	1.4
174.05534	4.8
175.05898	0.9
190.05074	2.6
197.07137	1.5
211.08730	1.1
213.10309	34.8
214.10524	1.3
223.08728	1.6
224.09372	1.4
225.10272	2.7
226.11020	2.6
237.10220	2.6
239.11853	19.3
240.12260	1.5
241.13434	15.0
242.13721	1.2
245.12952	8.8
249.06665	1.6
250.07449	1.3
251.11911	4.7
265.09775	2.0
267.11438	1.8
277.09753	1.2
283.35489	0.9
285.12408	66.9
286.12631	5.1
293.09729	1.5
293.12888	9.7
295.10825	6.8
296.11386	1.1
313.11755	4.8
316.14417	1.7
323.10275	13.0
324.10925	1.5
325.11847	3.7
326.12643	1.1
328.10825	3.8
332.17572	1.8
339.09857	1.7
340.14481	1.6
342.12268	2.9
343.13101	3.6
344.13934	3.7
354.12039	1.0
355.13040	6.4
356.17709	1.9
357.14725	3.5
358.15570	24.2
359.16089	2.2
369.14624	1.6
370.11792	2.6
372.16974	2.3
382.15262	1.1
384.13220	5.2
385.14053	2.3
399.15744	1.7
400.16602	17.3
401.16754	2.6
412.16718	5.5
412.58566	0.9
493.72992	1.1
497.25601	2.8
523.23389	13.0
524.23889	3.0
537.25146	1.6
541.24194	1.4
565.24463	89.1
566.24872	14.1
568.22876	3.9
581.24054	1.2
587.30914	0.9
591.22107	1.3
597.27472	1.2
609.23456	100.0
610.23773	18.4
641.25964	25.5
642.26178	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	641.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	12.3
61.98819	6.3
71.01341	1.7
71.62228	1.6
75.00841	1.4
80.05052	10.6
83.97835	1.3
94.06625	2.6
96.96001	6.6
104.05029	2.7
106.06599	4.6
107.03761	5.6
120.04500	1.3
120.08131	1.3
121.05306	3.5
122.06105	49.3
124.07596	1.2
126.90367	1.4
130.06638	1.8
132.04527	2.8
134.03778	7.1
134.05164	1.7
134.06091	14.6
135.04445	1.2
137.02426	1.3
139.02711	1.9
145.02962	1.2
148.04024	2.8
150.05629	1.6
152.07149	69.2
153.07500	2.7
160.04025	2.2
160.06433	6.4
161.02402	2.5
161.04691	1.6
163.03928	1.6
168.89929	1.2
173.04633	1.6
174.05566	7.8
190.05055	3.3
191.51244	1.2
193.05040	3.1
209.07124	1.1
213.10301	28.4
223.08798	2.5
225.10225	2.5
226.10936	3.4
235.08635	1.2
237.10233	2.0
239.11868	23.4
240.12144	1.2
241.13416	14.2
242.13875	1.9
245.12898	7.4
249.10219	1.7
250.07257	1.8
251.11887	3.7
263.08118	1.4
265.09760	3.8
267.11267	2.1
277.09863	1.7
285.03885	2.5
285.12399	59.7
286.04333	1.5
286.12634	4.5
293.12854	8.4
294.47601	1.1
295.10809	5.3
297.12579	1.1
309.09091	1.4
313.08716	2.2
313.11987	8.5
316.14258	2.8
323.10394	8.9
324.11011	1.3
325.11960	3.6
326.12567	2.5
328.10995	6.4
328.14426	2.1
329.11688	1.8
330.12320	1.5
332.17358	1.7
339.09500	1.5
340.14429	2.3
342.12439	4.0
343.13220	5.3
344.14053	5.9
355.12979	6.9
356.13773	3.9
356.17804	2.2
357.14505	5.7
358.15543	30.5
359.15988	5.3
369.14752	1.7
370.11905	3.2
384.13431	6.8
385.14343	2.1
398.15024	1.6
399.15833	1.3
400.11667	1.7
400.16641	23.0
401.16956	2.2
412.16504	4.3
497.25391	4.1
498.25897	1.4
509.21893	2.8
521.25903	1.7
523.23486	17.1
524.23761	3.2
537.24866	1.8
541.24353	2.0
565.24469	85.7
566.24725	12.9
567.21820	2.4
568.23138	12.2
569.23724	2.6
581.23212	2.3
597.26636	3.1
609.23389	100.0
610.23737	20.0
641.26068	54.4
641.36792	1.9
642.26465	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	641.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
60.99289	0.3
61.98823	4.9
62.23941	0.3
68.82807	0.3
71.01372	3.6
71.62645	0.4
73.02941	1.5
74.99103	0.5
83.01386	0.4
85.02932	1.8
88.98805	1.0
89.02435	0.9
89.03977	1.1
95.01406	0.5
96.96007	1.4
97.02995	0.3
99.00862	0.8
101.02449	3.3
101.49844	0.3
113.02431	1.3
117.03434	3.9
119.03447	0.3
119.04973	0.3
121.02945	0.4
123.04523	0.5
131.40382	0.3
132.02179	2.1
132.82391	0.3
133.02939	0.8
134.03725	75.7
135.04169	2.1
137.02431	0.6
149.06067	7.0
150.06427	0.6
153.51855	0.3
160.01642	9.9
161.02428	2.6
161.04543	0.6
161.66199	0.3
163.04059	0.5
165.05565	0.4
173.45448	0.3
175.03992	8.6
176.04379	0.4
178.02658	0.5
179.03453	1.0
193.05032	100.0
194.05377	5.0
269.04636	0.5
447.22369	0.4
508.35730	0.8
509.35788	0.5
513.20050	0.4
516.64160	0.4
578.13586	0.6
578.27325	0.4
605.23199	0.4
618.94006	0.5
640.40033	1.8
641.27985	17.4
641.39392	4.3
642.28455	2.4
642.37909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
58.00590	0.4
59.01374	22.2
61.98809	1.5
71.01369	6.8
71.62163	0.5
72.99286	0.5
73.02940	1.5
83.01338	0.6
85.02937	1.8
89.02445	2.2
89.97263	0.4
94.06619	2.3
95.01407	0.5
96.95988	1.6
97.02968	0.5
99.00838	0.8
101.02424	3.2
106.06631	1.4
110.30670	0.4
113.02431	3.0
119.03485	1.1
122.06115	4.0
122.72448	0.4
125.06042	0.7
126.90379	2.0
134.06096	5.2
136.05251	0.9
137.06049	0.5
138.06827	2.7
139.07600	1.0
141.11256	0.4
149.04556	0.4
149.06067	0.6
151.07611	3.1
152.07217	0.5
152.08383	2.2
153.09190	13.8
153.10448	0.7
154.09578	0.6
159.02966	1.2
161.02434	0.5
161.04547	6.6
165.09149	0.5
179.05537	0.8
183.13869	8.8
190.05081	0.9
190.10172	0.5
195.13879	8.3
205.12314	6.6
206.12491	0.5
209.15486	0.8
211.13245	0.5
213.14922	100.0
214.15285	5.3
223.06035	0.9
223.13370	8.2
224.13748	0.5
227.16512	0.9
237.14919	0.7
241.13425	4.1
243.71916	0.4
255.16110	0.8
268.08612	0.6
269.12903	1.7
283.10922	1.7
285.03903	1.2
285.12323	0.7
285.37717	0.4
295.10880	0.5
385.18616	13.5
386.18835	1.5
518.22168	0.4
554.51288	0.5
565.24042	1.2
567.17358	0.5
581.33801	0.7
609.23529	2.0
641.26147	10.5
641.36597	0.4
642.26288	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	643.179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07203	0.6
50.84327	0.7
53.70298	0.6
57.03446	0.6
59.01375	4.1
61.98820	2.2
67.19318	0.6
69.23611	6.5
69.23919	1.2
71.01374	6.8
78.95879	0.8
85.02934	6.9
89.02438	3.8
95.01383	3.7
101.02431	1.5
105.95881	0.8
107.05031	0.7
113.02434	15.6
117.03452	28.1
118.03780	1.3
119.03519	1.2
119.04997	10.2
123.04504	2.6
133.02925	4.4
135.04514	18.8
136.04759	1.1
138.62810	0.6
145.02939	100.0
146.03278	4.6
153.05542	5.0
161.02419	17.5
161.04492	0.8
163.03973	10.3
174.64114	0.6
179.03510	6.4
315.10767	1.2
443.15060	0.8
461.16528	11.8
462.17035	1.0
505.31378	0.7
607.20227	77.2
608.20642	14.3
643.25983	4.7
644.25458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.8
59.01372	6.2
61.98807	0.9
71.01373	7.8
72.99292	0.9
73.02924	1.0
75.92830	0.7
78.04692	0.6
85.02953	5.8
87.00888	1.0
88.54514	0.6
89.02441	5.0
89.03932	1.9
95.01375	2.0
96.95985	1.1
97.02951	0.7
98.20609	1.6
99.00856	1.4
101.02412	2.4
106.55489	0.7
107.04974	0.8
113.02443	15.9
117.03457	23.2
118.03760	0.9
119.03449	1.5
119.05000	9.3
120.99632	1.2
123.04499	1.3
132.02119	1.6
134.03723	72.7
135.04555	12.9
145.02934	84.2
146.03276	3.5
149.06053	7.7
150.06531	0.8
153.05515	1.2
160.01637	10.7
161.02351	2.0
163.03987	11.3
175.03979	17.2
178.02687	2.9
179.03447	2.4
193.05031	81.1
194.05327	4.2
227.88680	0.7
235.06079	1.2
315.10699	2.5
406.81720	0.7
413.14746	3.6
431.15469	1.5
461.16550	11.3
462.16681	0.8
607.20215	100.0
608.20575	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	643.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08161	1.4
52.22028	1.4
59.01368	9.6
61.98815	5.8
69.25952	10.1
69.26363	5.8
69.50265	1.6
71.01376	9.6
73.02924	1.4
85.02927	8.5
89.02419	4.8
93.03391	1.5
95.01376	2.4
96.95982	2.4
98.19891	2.7
101.02429	2.0
109.02934	2.6
113.02437	20.6
117.03441	20.1
119.05016	14.1
120.99569	1.9
123.04453	2.2
133.02914	4.1
135.04510	22.8
145.02931	100.0
146.03256	2.0
149.02394	1.5
151.03954	3.6
156.55421	1.9
161.02385	8.4
161.06105	1.9
163.03972	13.9
167.75162	1.5
175.12814	1.4
179.03413	5.2
235.05930	1.5
247.46640	1.7
315.10651	2.5
461.16644	11.4
462.17224	2.6
523.43152	1.6
531.55927	2.0
607.20209	83.5
608.20697	11.0
643.26849	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	643.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
58.00572	2.2
59.01376	50.8
61.98797	5.6
69.37498	4.9
69.37923	5.1
71.01000	2.1
71.01376	33.5
72.99276	2.3
73.02921	3.6
79.05511	1.2
82.71965	1.2
83.01358	2.5
85.02941	8.5
87.00847	3.9
88.30869	1.2
89.01899	2.3
89.02430	34.4
93.03400	1.5
95.01363	2.8
98.20687	2.4
99.00831	1.8
101.01868	1.6
101.02438	23.9
107.04992	1.2
108.02139	3.6
109.02898	2.8
110.10027	1.4
113.02429	16.5
119.03484	15.5
123.04485	5.7
131.03467	1.6
133.02913	2.6
135.04507	100.0
135.08093	2.4
136.04779	3.7
141.02209	1.1
141.96219	1.1
143.03424	2.3
152.01056	2.0
153.01865	2.1
153.05548	6.3
153.09184	6.6
161.02420	7.2
167.10750	2.7
177.09200	1.9
179.03481	6.1
195.10237	1.9
297.09891	6.8
315.10803	92.4
316.11093	4.2
451.19666	12.9
452.19769	2.0
466.13870	1.4
495.18677	83.3
496.18988	12.2
590.16510	1.4
643.22241	68.6
644.22595	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	643.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32190	0.5
55.82422	0.4
56.21239	0.3
59.01373	56.9
68.64955	0.4
69.54655	2.3
69.55070	0.6
71.01427	0.4
73.23634	0.4
81.03455	1.2
83.05025	0.7
85.02966	0.9
85.33211	0.4
89.02456	0.5
95.05013	1.2
96.95973	0.6
97.06573	1.6
97.19888	0.4
98.20657	0.7
109.06588	2.3
113.02383	0.6
121.02959	0.7
121.73257	0.4
135.04538	0.6
135.08112	1.4
141.05571	6.3
144.96532	0.4
151.11278	2.0
161.02342	0.7
163.04051	0.5
177.09215	3.4
179.07114	0.7
195.10239	24.1
196.10555	1.3
212.07574	0.4
221.08147	1.3
226.52664	0.4
228.17238	0.4
239.09212	100.0
240.09521	5.4
247.09433	0.4
247.63861	0.5
256.32648	0.4
261.30774	0.4
269.50119	0.4
284.97012	0.5
381.73099	0.4
440.60110	0.5
488.52301	0.5
539.32788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87366	0.4
59.01372	5.7
61.98809	1.6
69.03439	0.6
71.01365	5.7
72.99289	0.8
73.02947	1.2
79.80006	0.4
83.01378	1.0
85.02933	1.5
87.00854	0.5
87.04523	0.7
87.25809	0.4
89.02429	4.1
91.05528	0.5
93.01416	0.5
95.05005	0.7
97.02935	2.1
99.00861	1.8
101.02433	2.3
105.03408	0.5
107.05003	1.9
108.02152	1.3
109.02935	2.0
113.02417	2.4
117.03451	1.3
119.03574	1.0
121.02928	0.6
123.00900	0.6
123.04510	18.3
124.04832	0.8
125.02445	0.7
132.02156	0.8
133.02945	17.0
133.10213	0.6
134.03769	7.3
135.04509	100.0
136.04840	3.4
137.02415	0.7
139.03954	0.6
151.04037	0.4
152.01135	1.5
153.01941	1.4
153.05553	19.6
153.09175	2.1
154.05963	0.5
157.10202	0.5
159.08119	0.6
161.02425	46.4
161.06094	1.3
162.02815	1.5
167.03476	0.6
175.07674	0.6
175.11243	0.4
177.09219	0.7
179.03473	56.0
180.03778	2.6
189.09328	0.5
192.48679	0.4
193.04988	0.6
193.08704	1.2
197.08153	0.9
203.07103	1.2
219.10007	0.5
221.08171	0.7
230.42078	0.6
239.09344	0.5
251.05544	0.6
263.09171	0.7
281.06693	0.8
315.10779	2.7
321.60623	0.5
341.08762	0.6
341.12576	1.3
495.18716	17.0
496.18848	2.1
607.20416	0.7
643.26086	82.3
644.26343	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	643.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87366	0.4
59.01372	5.7
61.98809	1.6
69.03439	0.6
71.01365	5.7
72.99289	0.8
73.02947	1.2
79.80006	0.4
83.01378	1.0
85.02933	1.5
87.00854	0.5
87.04523	0.7
87.25809	0.4
89.02429	4.1
91.05528	0.5
93.01416	0.5
95.05005	0.7
97.02935	2.1
99.00861	1.8
101.02433	2.3
105.03408	0.5
107.05003	1.9
108.02152	1.3
109.02935	2.0
113.02417	2.4
117.03451	1.3
119.03574	1.0
121.02928	0.6
123.00900	0.6
123.04510	18.3
124.04832	0.8
125.02445	0.7
132.02156	0.8
133.02945	17.0
133.10213	0.6
134.03769	7.3
135.04509	100.0
136.04840	3.4
137.02415	0.7
139.03954	0.6
151.04037	0.4
152.01135	1.5
153.01941	1.4
153.05553	19.6
153.09175	2.1
154.05963	0.5
157.10202	0.5
159.08119	0.6
161.02425	46.4
161.06094	1.3
162.02815	1.5
167.03476	0.6
175.07674	0.6
175.11243	0.4
177.09219	0.7
179.03473	56.0
180.03778	2.6
189.09328	0.5
192.48679	0.4
193.04988	0.6
193.08704	1.2
197.08153	0.9
203.07103	1.2
219.10007	0.5
221.08171	0.7
230.42078	0.6
239.09344	0.5
251.05544	0.6
263.09171	0.7
281.06693	0.8
315.10779	2.7
321.60623	0.5
341.08762	0.6
341.12576	1.3
495.18716	17.0
496.18848	2.1
607.20416	0.7
643.26086	82.3
644.26343	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	643.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
63.68145	0.3
66.91461	0.3
71.01378	2.8
71.61346	0.5
72.01726	0.4
72.99297	5.1
73.99660	0.7
74.99685	0.4
85.02940	2.0
89.02460	1.0
93.03439	0.9
95.01408	0.7
96.95987	0.6
99.00894	0.3
101.02428	1.4
102.95689	0.3
113.02422	3.2
114.02774	0.7
119.05015	87.0
120.05344	3.1
123.04504	3.2
124.04833	1.1
125.02382	0.3
125.05016	0.3
135.04517	5.9
136.04860	2.1
137.05003	0.4
149.04538	1.0
151.04015	2.2
152.04366	1.1
153.05624	0.8
161.02473	1.1
163.03992	100.0
164.04314	4.7
179.03479	3.7
180.03793	1.7
181.04034	1.0
197.04491	2.4
198.04863	1.1
199.05141	0.8
295.08176	0.9
321.15555	0.6
347.17068	7.4
348.17361	0.6
462.16531	0.4
463.16788	0.7
479.21255	4.4
480.21323	0.5
484.55856	0.4
643.21344	16.0
644.21472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06190	0.4
59.01370	6.2
61.98822	3.8
69.03431	0.5
71.01380	4.4
71.62558	0.5
72.99274	0.6
73.02927	1.3
85.02926	1.3
89.02432	4.6
89.03952	0.5
91.05539	0.6
93.03465	0.5
96.95975	2.4
99.00872	1.8
101.02438	2.7
102.04687	0.4
107.05044	2.2
108.02139	2.2
109.02951	2.6
113.02439	1.3
117.03460	1.7
119.03485	0.9
123.04538	0.9
125.02413	0.9
131.03479	0.4
132.02110	0.9
133.02945	17.5
134.03752	8.1
135.04510	100.0
136.04837	3.5
137.02379	0.7
139.03925	0.5
149.04546	0.7
152.01154	1.9
153.01875	2.6
153.05513	0.9
161.02423	44.9
162.02773	2.6
163.03998	0.9
175.03946	0.6
179.03471	55.9
180.03871	2.1
191.05502	0.7
204.55995	0.4
221.82816	0.5
226.45952	0.5
274.72183	0.4
308.63550	0.5
309.64880	0.6
315.07394	1.0
315.10907	1.1
463.43002	0.4
468.34262	0.4
495.14529	0.9
526.14203	0.5
643.26086	80.7
644.26471	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	643.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97931	1.2
59.01368	7.6
59.43095	1.1
61.98833	8.8
64.23199	1.2
67.01874	2.7
68.99850	6.5
69.03428	1.7
69.80137	6.8
71.01366	3.0
72.30300	1.2
73.02928	1.8
80.05053	2.4
86.10249	1.5
89.02453	1.6
93.03443	7.7
94.06619	3.8
96.95972	6.0
97.24553	1.6
98.20654	1.4
101.02429	12.9
106.06652	1.7
107.03741	9.1
107.35800	1.3
111.00869	3.6
112.98534	2.7
113.02405	1.6
113.55887	1.3
120.04466	1.2
120.08173	12.7
121.02903	1.4
122.06106	81.8
123.06473	1.8
124.07715	1.5
127.03152	1.6
127.03945	6.6
132.04524	1.5
133.02962	2.9
134.03754	7.7
134.06090	6.3
135.04512	18.2
136.01668	1.8
137.02425	14.8
139.02754	2.7
139.03926	1.6
149.02429	2.2
150.05597	1.3
152.07153	93.5
153.01949	1.4
153.07516	2.2
160.01685	1.7
160.04007	1.9
161.02455	11.3
162.05548	1.8
171.02965	1.8
173.04578	1.3
179.03484	15.0
190.05124	1.3
191.05502	1.7
193.04990	6.9
211.12401	1.7
223.06367	2.7
223.08728	16.3
224.09464	4.1
225.10388	3.0
235.08644	1.4
235.12289	2.6
236.09561	1.5
237.10301	15.7
238.11028	7.9
239.05560	3.4
239.11891	17.2
251.08197	2.0
251.11865	8.9
253.13429	1.5
259.09610	2.2
263.08224	1.6
264.08905	6.2
265.09753	6.3
267.11380	2.4
271.10880	5.1
273.67328	1.4
277.09872	3.7
278.10556	3.1
279.11313	25.2
280.11963	2.8
281.06628	2.0
281.12909	2.3
283.10861	3.7
291.08713	12.7
291.11469	3.7
292.09021	1.9
292.12125	3.3
295.10806	4.5
299.07806	1.6
313.11819	1.5
323.10239	4.0
325.11890	2.7
355.12894	3.6
358.19272	1.9
360.17148	3.1
361.12759	2.2
388.16544	4.0
400.20566	2.2
402.18210	28.7
403.18649	4.4
404.19769	6.9
416.20108	1.9
444.19241	14.3
445.19821	3.6
448.18634	25.2
449.19049	3.3
481.35297	1.5
487.15237	1.5
488.18207	13.5
489.19012	7.6
508.20892	2.5
511.23849	1.5
520.20831	24.1
521.21606	4.8
523.27094	2.4
525.25317	7.5
552.31818	1.5
567.26031	12.7
568.26587	1.8
570.24847	2.0
607.23737	6.8
608.24091	1.8
611.25006	36.5
612.25720	7.3
643.27863	100.0
644.28369	16.5
663.29944	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17735	0.6
55.78875	0.6
59.01255	0.8
59.01500	1.1
61.98676	0.6
69.95168	3.6
80.04861	1.6
80.05296	1.1
82.65046	0.7
94.06376	2.6
96.95755	2.3
105.05649	0.8
106.06435	1.4
107.03490	5.5
107.04303	2.0
114.45422	0.8
120.07889	17.0
120.08867	4.3
121.02707	0.8
122.05813	48.1
123.06226	1.3
123.07008	0.8
124.07474	1.1
132.04309	1.6
134.03468	1.0
134.05789	5.0
134.06924	1.3
135.04216	2.2
136.07442	1.5
138.26959	0.7
139.02522	1.5
150.05275	1.1
152.06816	59.0
152.08189	8.3
152.08821	2.3
153.07236	1.7
160.03786	1.7
161.02174	1.7
161.04456	0.9
162.05360	0.8
164.06906	1.3
174.05302	1.4
179.03218	1.5
190.04730	3.8
193.04851	1.2
200.06863	0.9
210.07692	1.4
211.12151	1.0
221.10408	0.7
223.08336	6.3
224.09084	2.8
225.09879	2.1
229.22357	0.7
235.12035	1.5
236.09273	1.4
237.10239	10.2
238.10985	3.7
238.34663	0.7
239.11433	7.0
245.12842	4.5
249.06296	1.1
249.09956	1.2
250.07123	1.1
251.07805	1.9
251.11877	5.1
253.13101	0.9
262.10757	0.8
263.08224	4.7
263.10596	1.2
263.11563	0.9
264.08954	7.8
265.09784	7.1
265.12375	1.5
266.10132	1.0
267.11102	1.2
271.10605	1.7
276.08679	1.4
277.09747	4.2
278.10153	2.9
279.11331	24.5
280.11938	4.6
281.12518	1.5
283.10480	1.4
291.11383	4.4
292.11923	4.0
293.09122	0.9
293.12518	1.7
295.10458	3.8
295.13922	1.4
310.12827	1.0
311.13739	1.2
313.11658	1.6
323.10312	7.2
324.10538	2.6
325.11392	2.7
326.11984	1.2
355.12631	2.6
355.16586	0.8
356.13388	1.0
360.16806	1.8
372.16949	1.0
381.25778	0.7
386.18433	1.0
388.16422	1.1
389.17105	1.4
400.20273	1.4
402.18164	10.9
403.18106	2.4
404.19626	0.9
414.17941	1.4
416.15347	1.0
417.20453	1.6
429.16550	1.0
430.17133	1.2
443.18097	1.0
444.19220	10.6
445.19611	2.6
448.18552	5.2
449.18860	1.5
460.18674	1.0
461.19305	2.5
471.17807	1.1
488.18207	13.4
489.18951	13.5
490.19220	1.1
520.13422	1.2
520.20795	19.7
521.21686	4.7
525.24432	1.0
567.25977	32.2
568.26233	5.3
583.25403	1.7
607.23871	2.6
611.25006	100.0
612.25348	18.8
643.27716	37.5
644.28363	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	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	26.9
61.98812	7.2
71.01375	15.2
71.61746	1.9
71.62152	1.9
73.02956	2.2
75.00846	1.8
78.95893	18.9
79.05521	3.1
80.05059	2.5
81.03435	1.7
81.07033	2.0
83.01353	3.5
83.05043	2.1
84.60945	1.7
85.02911	3.8
87.00875	3.7
89.02452	10.4
93.03426	2.4
94.06600	4.3
95.01344	2.4
96.95998	19.4
97.02917	1.9
100.00383	3.2
101.02460	8.7
104.05121	1.9
106.06583	2.5
107.03745	7.5
107.04990	4.3
111.00848	1.9
113.02428	6.0
114.60653	1.5
115.00362	3.8
116.06462	1.7
119.03470	4.4
120.08176	22.2
121.02890	1.9
121.06563	6.0
122.06111	74.4
123.06393	1.8
124.07636	2.9
125.06042	3.6
132.04561	2.7
134.06113	6.9
135.04495	5.8
139.02788	1.9
145.06580	2.0
147.11719	2.4
150.05624	2.3
152.07150	78.5
152.99614	2.1
157.27333	1.9
159.11784	2.1
160.04010	2.2
161.02383	5.6
164.07054	2.2
171.00632	5.1
173.04500	7.6
175.02403	3.1
179.03477	4.0
179.64192	1.9
190.05022	4.1
211.08614	2.0
223.08749	7.9
223.14816	2.4
224.09590	2.2
225.10225	2.7
237.10301	10.1
237.16597	3.0
238.11110	3.1
239.11864	8.6
245.12857	3.8
251.08159	4.1
251.11858	5.8
263.08295	3.5
264.09061	8.4
265.09604	5.3
265.15854	2.4
271.10727	2.6
276.09174	1.6
277.09781	4.1
278.10486	4.1
279.08371	2.5
279.11346	34.8
280.11902	4.3
281.12701	1.8
291.11276	6.6
292.12027	3.0
295.10724	4.9
319.24240	9.2
322.09607	2.8
323.10291	8.3
324.11331	2.0
325.11932	2.2
331.24207	6.1
345.22034	3.4
349.25201	7.0
360.17206	2.7
363.23306	2.3
375.23135	14.2
393.24277	18.1
394.24255	3.4
402.18433	9.0
403.18878	2.2
417.20233	3.1
419.22168	6.6
437.23215	13.4
444.19348	14.0
448.18411	3.1
463.20917	4.1
466.45261	1.9
470.16507	2.5
481.22269	25.9
482.22787	2.4
488.18234	20.1
489.18826	12.5
490.19263	2.2
520.20795	43.5
521.21118	5.5
525.22650	8.0
543.23889	2.1
551.93970	2.2
567.26062	32.7
568.26782	4.7
583.23383	8.1
602.92834	1.9
607.24744	2.5
611.25000	100.0
612.25464	17.1
643.27460	56.6
644.27588	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	643.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	13.8
61.98836	5.0
67.03254	0.8
71.01382	1.8
80.05052	6.8
90.73344	0.9
94.06602	2.8
96.96011	2.6
98.50610	0.8
101.02441	1.3
104.05051	3.2
106.06588	2.6
107.03738	4.7
109.01688	1.2
115.07198	0.9
120.04515	1.3
120.08179	7.4
122.06102	27.0
124.07622	3.9
129.28020	0.8
130.06609	2.0
132.04510	3.0
134.06105	5.7
135.04463	0.9
136.07645	7.4
139.02719	2.5
145.01801	0.8
148.04015	2.6
150.05569	1.4
152.07150	46.9
153.07454	1.6
160.03969	2.2
161.04680	1.7
161.07167	2.3
162.07982	2.2
174.05548	4.9
190.05025	3.4
192.00386	0.8
200.09489	2.4
200.14436	1.6
213.14870	1.0
215.11835	28.2
216.12132	1.9
225.10435	1.1
226.11034	3.6
228.12567	1.2
241.13422	18.5
243.14983	7.4
245.12910	8.5
249.06610	1.4
250.07362	1.4
253.13354	3.3
265.09760	3.2
267.11221	1.2
269.12836	1.1
279.11218	1.1
280.12128	0.9
287.13974	46.6
288.14218	2.7
295.10806	8.3
295.14426	8.3
296.11371	1.5
297.12161	1.0
313.11917	3.6
318.15988	1.6
323.10242	11.8
324.10770	1.2
325.11768	5.9
326.12650	1.8
330.12311	2.4
331.12881	1.3
332.13687	1.2
339.09616	3.0
340.10400	1.2
342.16013	1.9
345.14691	4.3
346.15344	2.0
355.13022	6.7
358.19119	2.4
359.16299	5.3
360.17090	25.3
360.21371	1.7
361.17468	1.9
372.13303	2.9
373.14212	1.7
374.18637	1.1
375.81030	1.1
386.15024	3.8
399.15894	0.9
400.16437	1.3
401.17252	1.3
402.18161	18.1
403.18497	1.9
414.17996	5.8
499.26819	2.6
507.44260	0.9
523.27002	1.7
525.25134	8.8
567.26007	86.7
568.26465	13.9
570.24603	2.9
571.25525	1.0
611.24982	100.0
612.25409	19.1
643.27588	28.3
643.36450	1.0
644.28333	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	643.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57442	0.9
56.94958	1.0
59.01373	46.6
61.98819	14.4
71.16154	2.6
80.43119	0.9
82.06614	1.7
96.95982	3.4
97.06570	2.5
98.45933	1.1
107.05027	2.4
113.02466	1.5
113.06087	1.4
116.05066	1.2
117.03400	1.2
119.04994	1.7
121.06564	1.1
122.02431	2.2
124.03977	1.3
130.08710	23.4
133.03003	1.1
134.06056	3.1
135.04515	6.8
138.05598	1.1
139.08688	2.3
143.83669	1.2
148.05301	1.2
149.06012	4.6
150.05623	1.5
153.05531	1.1
156.06660	2.5
160.03978	3.4
161.02373	2.0
162.05545	4.5
163.02713	2.6
174.05576	2.7
176.07114	2.4
177.05594	1.2
178.05064	30.8
188.03487	1.2
188.10690	2.2
191.15395	1.2
192.06587	3.3
194.08186	2.9
195.06602	27.7
196.06796	1.6
197.16597	1.8
199.18108	4.2
199.35826	1.2
206.04474	2.2
209.16580	6.8
211.06429	1.0
211.13437	1.2
214.12308	1.6
217.03566	1.2
218.04425	1.3
220.06032	3.5
225.16092	2.5
230.11777	2.1
232.13341	3.1
238.07201	1.9
243.17038	4.9
245.12825	1.8
245.43532	1.0
246.11357	1.3
248.12927	2.5
253.15417	3.1
258.11191	2.2
259.10809	1.7
261.12244	2.1
261.63358	1.0
262.14536	1.2
272.12970	1.5
282.15732	1.1
286.44016	1.1
290.13776	2.0
291.08588	1.3
291.13477	5.3
327.20575	1.3
343.20242	1.8
345.21771	3.1
361.21393	2.0
374.12354	1.3
421.23456	1.4
461.02563	1.2
465.22394	2.7
470.18066	3.0
507.23004	1.8
514.06189	1.2
589.64716	1.1
601.27563	100.0
602.27875	15.9
637.02240	1.1
643.28522	49.4
644.28864	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	644.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70267	0.1
61.98822	100.0
67.77081	0.1
68.06274	0.1
70.74727	0.1
121.02954	0.2
152.98070	0.1
186.04150	0.1
196.65370	0.1
208.22591	0.1
261.50540	0.1
268.67139	0.1
291.08813	0.1
309.33002	0.1
610.38232	0.1
618.70740	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	644.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.38238	0.1
61.98823	100.0
62.98509	0.2
66.14068	0.1
69.40496	0.1
71.01376	0.3
85.02926	0.2
89.02435	0.2
96.96008	0.3
97.06594	0.3
98.19862	0.2
101.02481	0.1
105.83261	0.1
106.45885	0.1
113.69103	0.1
130.08676	0.2
156.06668	0.3
161.02519	0.1
213.15079	0.2
214.15260	0.2
310.96002	0.1
471.34738	1.4
644.27167	0.2
645.30023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.8
61.98824	9.4
63.02413	1.4
65.39760	1.1
71.01374	1.5
82.52114	1.1
83.25390	1.0
90.55340	1.0
93.03481	1.5
98.20574	2.4
107.01371	3.1
107.86222	1.1
113.02451	1.1
119.05022	4.6
121.02949	2.7
135.04489	3.4
137.06085	3.4
147.04523	1.5
148.01598	1.4
151.00331	8.9
161.02386	2.2
163.03967	4.7
178.99846	3.9
179.03441	1.9
211.03825	1.2
226.02713	1.3
227.03616	1.5
238.49777	1.1
243.02925	8.3
254.02213	1.6
255.02946	20.7
256.03284	1.4
271.02432	43.3
272.02939	2.6
299.09085	1.7
300.02710	76.1
301.03455	34.3
302.03769	1.1
317.10132	2.2
343.07996	1.2
421.91852	1.4
565.98309	1.7
583.16888	5.9
609.14490	100.0
610.14734	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	645.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98166	0.2
59.01364	1.1
59.99543	0.2
60.99303	15.6
61.98816	0.8
63.68874	0.3
71.01386	0.5
71.25327	0.2
74.18842	0.3
75.06831	0.2
77.71455	0.3
85.02929	0.3
88.98799	100.0
89.02438	0.8
89.99131	1.1
93.03466	1.1
96.96003	0.5
101.02454	0.8
111.00851	0.3
111.04526	0.8
113.02448	0.6
119.04974	0.4
134.03732	1.1
135.04509	1.0
137.02419	0.4
161.02473	1.0
163.04001	0.5
175.04042	0.4
179.03473	0.8
181.04993	0.8
193.05067	1.7
202.48592	0.2
265.07138	0.6
273.07599	1.8
307.08203	0.8
325.09290	0.5
361.08908	0.3
367.10599	0.3
393.11810	1.7
397.11514	0.3
427.12241	0.4
488.13950	0.3
555.17334	2.9
609.22070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.1
59.76198	0.9
61.98821	2.2
69.59395	5.7
71.01374	4.9
73.02959	1.6
76.53359	0.8
79.82169	0.8
81.85265	0.8
85.02967	1.4
89.02450	3.5
96.96008	6.8
99.00869	2.3
101.02408	2.2
106.76633	1.0
107.05015	2.2
113.02467	1.2
116.02500	0.9
117.03477	1.5
133.02945	15.0
134.03772	8.8
135.04507	100.0
136.04839	3.2
144.23616	0.9
157.89452	0.8
161.02425	52.3
162.02768	1.6
179.03468	57.4
180.03827	3.5
193.05025	1.9
218.03166	1.0
268.81448	1.0
275.10699	0.9
333.19946	1.0
586.96906	0.9
609.25403	97.8
610.25751	14.7
645.25012	1.7
645.37311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	1.4
59.01370	28.2
61.98800	2.1
63.63966	1.0
65.97620	0.7
69.29350	7.2
71.01373	19.9
72.99321	2.1
73.02956	6.6
83.01356	1.9
85.02922	5.8
87.00861	4.4
88.52406	0.8
89.02431	19.3
95.01365	1.9
95.05007	0.9
96.96010	1.8
99.00878	1.1
101.02428	13.5
108.12108	1.0
108.88943	0.9
111.04482	1.1
113.02440	11.3
117.03508	0.9
119.03484	7.9
123.04491	3.9
133.02937	1.4
134.03705	1.3
135.04504	50.6
135.08107	1.1
136.04797	2.8
137.09712	11.2
139.11250	2.1
145.02991	1.4
147.43291	0.8
153.05527	3.6
154.55653	0.8
155.10757	32.5
156.11145	1.2
161.02423	3.4
161.04602	0.9
162.02815	0.9
169.12297	9.0
179.03520	4.1
179.05447	0.7
179.10756	2.0
181.08704	2.3
197.11873	2.5
199.09749	9.8
223.09695	2.5
241.10742	2.7
297.09717	6.1
308.50577	0.9
315.10812	25.6
316.11417	1.9
497.20224	100.0
498.20618	12.4
607.19452	1.2
640.36218	1.0
645.23920	61.2
646.24341	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	645.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46108	1.5
54.97625	1.4
59.01372	52.1
61.65096	1.5
61.98820	12.3
66.03465	2.3
71.01361	3.7
71.62539	1.5
80.89162	1.5
81.03450	1.6
82.06602	5.8
84.08173	5.4
84.77459	1.5
85.02937	3.6
89.02390	2.2
92.33955	1.6
93.03421	4.5
95.27348	1.3
96.95993	7.8
97.06577	47.7
98.06880	2.2
101.02426	3.5
107.04974	2.2
113.04253	1.6
113.06071	4.6
116.92859	1.5
119.04987	6.5
120.04503	2.5
121.02921	2.7
121.15161	1.6
123.04498	1.7
124.04037	1.8
127.03974	2.6
128.07106	1.9
130.08722	28.4
134.02606	1.6
134.03694	2.3
135.04453	5.5
137.02406	2.4
137.06004	4.6
138.05588	1.7
139.08696	2.8
145.02963	2.5
145.05281	3.7
156.06627	37.4
161.02351	3.1
161.04492	1.8
162.05577	2.4
163.04001	7.9
165.05527	8.1
174.09190	3.5
176.10760	2.8
177.10010	1.5
178.05035	4.8
179.03423	2.0
180.10228	2.2
182.15512	7.3
193.05034	2.1
196.06120	3.7
196.09695	1.8
206.11775	2.1
209.16559	3.5
215.08096	2.3
221.12874	4.6
225.16113	2.7
228.20790	1.6
234.11325	2.0
243.17024	16.6
245.12915	2.2
248.12869	14.6
249.12479	5.3
253.15520	9.7
258.13712	2.4
261.12402	5.7
287.17633	2.1
291.13394	5.9
301.18994	2.6
313.10733	2.0
319.20224	3.8
329.18701	3.9
331.20221	4.3
361.21283	1.7
363.19180	12.0
373.12894	2.2
375.18835	1.6
403.22058	1.6
405.20297	9.3
421.24030	1.9
439.12344	3.6
441.12851	2.3
465.22421	20.1
466.22437	2.3
471.34372	3.6
507.23032	3.2
525.24127	1.7
543.27051	3.6
553.25433	2.0
583.95313	1.8
585.27924	11.7
586.28174	1.8
609.37946	1.9
645.30072	100.0
646.21100	1.9
646.30585	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	645.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73168	0.9
57.36529	0.9
59.01375	36.4
61.98818	6.4
70.65965	1.1
71.01364	1.8
80.98106	1.0
83.04989	3.1
85.02938	1.2
93.03448	1.6
96.95997	14.6
97.09966	1.1
99.92571	1.6
101.02401	1.7
101.28377	0.9
107.05022	1.6
111.00835	2.1
118.06598	1.7
119.04975	4.2
130.08713	21.7
131.09045	1.1
135.04440	3.5
137.05084	1.7
137.06075	27.6
139.00255	1.3
147.04449	1.1
149.06012	3.6
152.78362	1.0
153.05479	1.0
156.06613	3.0
161.02415	2.5
161.04665	1.5
162.05569	2.3
176.07118	4.3
178.05038	2.4
179.03539	1.1
185.16566	2.0
193.05054	1.2
195.14929	2.9
211.06041	1.1
211.14420	2.2
220.06041	2.9
229.15477	4.4
232.13318	2.5
233.12866	1.2
236.09335	1.5
239.13878	3.4
299.94785	1.0
303.20679	1.2
313.10675	1.5
313.19232	1.5
326.10162	2.1
350.89520	1.0
357.18237	1.8
363.17917	2.4
371.19397	1.5
421.23486	1.3
481.26318	1.1
483.30814	1.5
531.82123	1.1
553.25671	1.2
613.27216	5.2
645.30078	100.0
646.30243	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	645.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	39.8
61.98796	4.7
65.82462	1.0
66.03451	4.9
68.99541	2.6
71.01334	3.3
71.61947	1.5
73.02933	2.0
75.00831	2.1
82.06618	7.9
83.01360	1.2
83.04957	1.0
84.08186	5.4
85.02901	4.9
85.03364	1.1
89.02397	1.4
93.03403	2.1
95.01338	1.3
95.04974	4.2
96.95947	5.1
96.96508	1.1
97.06576	50.2
99.99718	1.0
101.02393	4.5
107.04990	1.2
111.00825	2.5
112.07655	1.5
112.98513	2.2
113.02454	2.7
113.06081	5.9
116.92798	2.5
117.52336	1.3
119.04991	1.2
120.04469	3.1
121.02892	1.8
122.02386	1.8
123.04484	1.8
124.03972	3.6
129.10181	1.4
130.08720	24.2
131.03647	4.9
133.02881	1.9
135.04428	3.7
137.02341	1.2
137.05983	4.5
138.05492	3.2
139.00290	2.1
139.08635	1.4
149.03484	1.4
155.08145	1.2
156.06635	41.7
159.68614	1.2
161.02307	2.6
161.04573	1.8
162.05515	3.7
164.07092	2.2
165.05548	6.7
166.05020	1.2
169.04962	1.9
174.09178	2.4
176.07050	1.7
176.10693	1.3
178.05014	5.9
179.03477	1.6
182.15439	8.4
188.03450	1.1
189.10272	1.6
191.05772	1.4
196.06079	2.5
196.09677	2.3
197.16336	1.7
199.17989	3.8
201.06572	2.9
206.04359	1.8
206.11737	2.3
209.16435	3.1
215.11765	1.1
217.09732	1.3
220.06096	1.4
221.12715	3.1
225.15880	3.8
226.14314	2.6
231.11124	1.7
232.13307	1.3
234.11134	3.0
238.07108	1.2
243.17087	24.6
244.11963	3.9
244.14862	1.1
244.17352	1.5
245.12657	1.5
247.10724	1.7
248.12926	9.7
249.12439	6.3
253.15491	9.2
261.12140	4.4
287.17383	2.2
290.13760	1.5
291.13248	4.7
301.18958	2.2
313.10797	1.5
319.19955	3.8
327.20663	1.3
329.18478	3.2
331.19958	4.5
361.20975	1.6
363.19119	13.0
403.22549	1.7
405.20200	5.4
439.18268	1.3
465.22247	15.5
466.21915	1.9
507.22931	3.8
515.21906	1.2
543.26819	2.5
553.24884	2.2
585.27716	9.0
609.38440	45.7
609.52972	1.8
610.38770	5.3
613.26575	2.3
645.29523	100.0
646.29816	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	38.9
61.98825	60.6
69.03450	17.1
69.40900	4.5
69.41314	11.8
71.01377	13.9
77.03941	2.3
79.65105	1.7
85.02939	4.5
87.00855	2.0
88.98765	2.0
89.02446	12.6
91.05534	7.6
93.03441	7.3
93.07093	3.1
95.01365	2.2
95.05003	11.6
96.95966	1.8
98.20574	3.4
101.02418	8.3
107.05004	11.5
109.02930	3.5
109.06563	5.5
113.02431	4.9
113.40048	1.8
119.05016	100.0
120.05339	3.9
121.02945	8.1
123.04530	2.2
127.04008	2.4
133.02951	5.8
135.04523	34.5
136.04843	4.3
137.02379	2.4
137.06068	68.2
138.06383	5.0
139.00383	2.2
148.01657	4.6
151.00374	4.6
151.07654	2.6
153.05562	3.2
161.02432	18.6
161.06110	2.0
162.02760	5.2
163.03989	45.9
165.01933	4.6
165.05594	2.7
178.99797	2.0
179.03442	8.6
179.07095	2.7
180.03867	2.3
180.88560	1.8
181.05022	12.3
192.61670	1.8
207.02908	3.7
209.20699	2.1
223.06215	2.8
255.02824	4.5
271.02441	9.7
272.02774	5.6
281.21317	1.7
299.09192	15.5
300.02753	18.8
300.09451	2.1
301.03229	19.3
302.03751	2.9
317.10248	42.5
318.10526	4.5
333.63483	2.2
343.08047	29.0
344.08694	2.9
361.09079	6.7
379.02197	1.9
403.10193	2.6
421.11078	4.3
447.10495	4.3
448.15253	2.7
509.76309	2.0
523.14825	1.9
583.16595	79.0
584.17084	14.3
609.14606	16.4
610.14789	29.2
629.37823	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	646.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91176	1.3
53.48860	1.1
56.95490	1.1
59.01365	11.3
59.63825	0.9
71.01373	14.4
72.00906	11.7
75.00858	1.0
82.02972	3.1
84.04517	2.9
96.08157	1.5
96.95995	3.6
98.02486	1.3
98.19777	1.1
99.05646	5.7
100.04030	100.0
101.02422	1.6
101.04323	1.4
108.04520	1.4
112.04034	4.1
117.06683	4.0
118.05092	1.6
118.65645	1.1
120.04564	2.1
122.02462	1.9
123.04494	1.9
129.06686	9.8
132.04578	1.3
135.04547	1.2
137.06085	2.8
138.05592	6.5
139.08795	2.5
140.07150	3.3
146.06038	2.7
147.47350	1.0
148.03976	1.2
148.17313	1.2
150.05571	3.2
157.09799	4.0
161.02516	1.6
164.07159	8.6
176.07130	2.1
178.08646	2.9
179.07016	2.4
180.06651	4.0
182.08209	1.9
184.06189	1.0
190.05095	2.0
201.08786	8.4
223.10835	1.2
241.11867	2.5
255.02989	1.9
267.09857	4.2
271.02420	4.2
276.13528	7.6
284.12469	4.8
294.14465	1.7
300.02808	6.9
301.03290	6.3
306.14474	2.8
326.47217	1.2
334.17682	3.3
350.17224	2.1
360.15506	1.5
378.16275	12.6
378.20917	5.3
404.14059	5.3
422.19226	18.8
423.19635	2.4
448.17303	1.7
464.19998	4.0
544.22858	2.4
556.22675	7.8
584.26141	6.3
600.25867	2.1
609.14532	4.3
610.15179	9.3
610.24054	1.7
611.15411	1.6
611.68524	1.2
628.25006	79.5
629.25116	15.1
646.26288	10.9
647.26282	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	0.2
59.01374	2.3
61.98817	0.7
65.46280	0.2
70.88831	0.4
71.01394	1.0
73.02930	0.2
75.00872	0.3
78.95897	0.4
79.95728	2.8
85.02938	0.5
85.76816	0.2
89.02438	0.6
93.03420	0.2
96.96001	100.0
97.95937	0.3
101.02419	0.9
113.02426	0.6
115.00344	0.3
117.03453	4.3
118.03796	0.2
119.05013	1.7
121.03010	0.2
133.02940	0.3
135.04453	0.3
145.02943	17.3
146.03320	0.3
151.18788	0.2
161.02435	0.6
161.04602	0.3
163.04004	1.7
173.04512	0.4
179.03430	0.6
205.05051	0.2
234.07788	0.3
269.10403	0.4
333.20428	0.2
345.20587	0.4
363.22009	0.5
423.23929	0.3
473.27502	0.5
529.38824	0.2
549.23224	0.7
561.29340	0.2
603.20819	3.0
604.21216	0.4
647.31726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01373	39.8
60.01693	0.6
61.98824	4.1
66.03449	0.8
71.01362	2.0
73.02924	1.2
82.06595	0.6
85.02950	1.6
89.02436	1.4
93.03455	1.8
95.02502	0.8
95.05009	2.5
96.95982	6.7
97.06578	20.1
99.04513	3.8
101.02411	1.6
109.02893	0.9
109.58427	0.7
111.00877	0.6
112.98454	0.7
113.02478	1.1
116.07171	9.1
116.92861	0.8
119.03489	0.7
119.05011	1.9
120.04542	1.4
121.02946	1.8
122.02435	1.1
123.04507	1.5
123.09256	0.7
131.03712	2.4
134.03680	1.4
135.04506	5.3
137.02393	1.5
137.04872	0.7
138.05562	2.1
142.05083	24.7
145.02956	1.2
149.06064	1.6
160.04059	0.9
161.02408	3.1
162.05562	2.8
163.03989	1.6
163.77728	0.7
164.07137	2.8
165.05545	4.6
168.13908	11.5
174.05551	0.7
174.09177	2.3
176.07089	1.1
176.10764	0.7
178.05066	5.3
179.03490	2.1
180.10304	1.5
183.15033	1.6
185.16530	2.4
190.08670	0.9
190.12337	1.4
192.06618	1.1
192.10243	0.7
193.04861	1.3
195.06618	6.0
195.14948	2.8
206.04541	1.3
206.11810	1.2
207.11375	2.0
211.14467	3.2
227.14049	1.3
229.15511	8.0
230.10574	2.2
234.11292	2.2
239.14032	3.6
247.10768	1.7
248.12830	4.5
249.12399	2.3
253.73016	1.0
261.12308	2.0
263.10287	1.3
273.15936	1.0
287.17514	1.6
289.19205	1.5
291.13351	2.3
305.18665	2.6
315.16959	1.4
317.18558	1.9
349.17667	4.3
367.10159	0.8
391.18619	3.0
407.21664	1.0
441.73383	0.8
449.81094	0.6
451.20856	8.9
467.23575	0.8
485.32968	1.0
511.22791	4.1
513.22632	0.9
529.11566	0.8
530.20001	2.1
555.22900	0.9
587.25940	25.8
588.26086	4.2
609.26508	0.8
615.24536	0.9
647.28101	100.0
648.28467	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	647.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08949	0.9
52.37860	1.0
59.01372	43.9
60.26931	0.8
61.98829	7.6
62.55209	1.0
67.33959	0.8
71.01373	5.6
71.62679	1.3
72.45875	0.9
72.99284	1.0
73.02929	2.3
79.95734	1.2
81.97996	0.8
83.05007	2.6
85.02954	2.0
85.88999	1.0
89.02432	3.7
93.03436	3.3
95.02463	1.1
96.95435	1.8
96.96002	23.9
99.00893	1.0
99.04497	1.1
101.02433	5.0
107.05017	1.4
112.45043	1.0
113.02413	2.5
114.40661	0.9
116.07169	11.7
117.03439	2.3
118.06593	1.1
119.05004	10.1
123.04510	1.6
133.02945	6.0
134.03709	3.7
135.04509	31.0
136.04800	3.2
137.02448	4.7
139.89946	1.2
142.05074	3.1
145.02939	3.3
147.04489	4.3
149.06017	2.5
153.09129	1.6
156.13860	1.2
161.01089	1.1
161.02429	17.2
161.04590	1.6
162.02800	1.6
162.05573	2.9
163.02698	1.4
163.03979	16.6
171.08162	1.2
171.14944	2.8
173.04594	1.2
174.05615	1.6
174.09303	1.2
176.07162	2.6
179.03459	14.9
180.03827	1.6
181.13359	2.1
192.61781	0.9
193.05054	2.4
195.06577	3.4
197.12874	1.2
200.10742	1.6
202.12424	1.0
205.04964	1.2
206.08145	3.3
209.69965	1.2
213.12611	1.2
215.13962	3.1
217.10889	1.2
225.12477	1.2
230.78493	1.0
231.02864	1.0
232.13341	3.4
246.05350	1.4
258.11069	1.6
261.07574	3.2
270.95654	0.9
271.09586	1.1
285.04092	1.3
299.17615	1.1
375.19199	1.3
396.91248	1.1
404.29144	1.1
407.21371	1.1
511.22589	3.7
530.20093	4.8
585.25507	1.8
609.25378	20.1
610.25372	2.4
611.26263	5.1
615.25275	2.0
647.27954	100.0
648.28345	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	647.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03434	0.5
58.00597	0.3
59.01369	3.6
61.98821	0.9
71.01373	3.4
72.99290	0.3
73.02939	0.7
78.95913	0.3
83.01369	0.4
85.02941	2.6
89.02438	1.3
89.03922	0.2
95.01364	0.4
96.95997	0.5
99.00854	0.5
101.02431	2.0
103.04040	0.3
113.02432	3.0
117.03448	24.9
118.03767	0.9
119.03516	0.4
119.05008	5.2
120.05296	0.2
129.03447	0.2
143.03511	0.2
145.02930	100.0
146.02086	0.2
146.03258	4.0
159.03174	0.1
161.04515	0.6
163.03983	6.1
164.04269	0.3
193.15808	0.2
217.47565	0.2
224.47316	0.2
309.09897	0.2
487.34079	0.4
501.26846	1.3
521.85675	0.2
603.36847	0.2
647.30566	31.8
648.30890	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	647.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76697	0.3
55.01871	0.8
57.03443	3.1
59.01376	2.5
61.98825	0.6
67.01891	0.3
71.01374	6.1
71.09167	0.3
71.09516	0.3
72.99297	1.8
73.02929	0.5
75.00864	18.1
76.81662	0.2
79.02489	0.2
83.01389	0.7
84.02138	0.3
85.02940	17.7
87.00861	2.7
88.65318	0.3
88.65846	0.3
89.02434	0.9
95.01341	1.3
96.96013	1.6
99.00870	2.1
101.02378	0.5
103.00351	0.3
112.01646	0.5
113.02435	11.8
115.00343	0.8
116.01134	0.5
117.01929	0.6
129.01918	0.8
157.01401	1.2
160.84177	0.4
169.50914	0.3
175.02461	0.8
189.16823	0.3
234.16263	0.3
279.10107	0.2
282.62277	0.3
339.74139	0.3
341.80515	0.3
423.32541	1.2
439.32016	1.0
451.32336	0.3
453.33691	0.6
469.33127	1.1
471.34830	6.8
472.34906	1.0
527.33667	0.5
571.36182	1.2
633.62170	0.3
647.37909	100.0
648.38287	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	647.3794
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
55.01852	1.1
57.03441	3.4
59.01373	2.1
61.98814	0.8
67.01869	0.7
68.99796	1.0
69.03423	0.3
71.01381	4.4
71.04979	0.5
71.31097	0.6
72.99295	1.6
73.02917	0.5
75.00861	21.6
75.07883	0.3
76.01185	0.4
83.01361	1.2
83.33217	0.3
84.02130	0.3
85.02941	19.9
86.00127	0.3
87.00871	1.5
95.01382	2.8
96.95989	1.2
97.02956	0.3
99.00899	1.6
103.80978	0.3
111.00860	0.5
112.01663	1.3
113.02432	9.6
115.00356	0.6
116.01140	0.8
117.01930	0.8
129.01917	0.8
133.02995	0.3
134.72534	0.3
157.01355	0.9
167.04131	0.3
175.02412	0.8
453.33640	1.0
469.33112	0.7
471.34555	2.8
525.35535	1.1
543.36938	0.4
553.35162	0.6
571.36121	0.9
585.37262	0.4
622.13074	0.3
629.37177	0.7
647.37897	100.0
648.38245	16.6
653.93884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39866	0.2
55.01872	1.2
57.03445	4.4
59.01369	2.3
61.98818	1.3
67.01875	0.6
68.99812	0.3
69.03454	0.4
71.01378	5.0
72.99298	2.0
73.02939	0.5
75.00864	21.3
76.01148	0.3
80.28434	0.2
83.01377	0.9
84.02145	0.3
84.42842	0.3
85.02940	20.6
86.00110	0.3
86.03281	0.4
87.00858	2.1
89.02423	0.4
95.01373	2.7
96.95994	0.9
97.02936	0.7
98.19923	0.6
99.00868	2.2
101.02441	0.3
112.01641	1.0
113.02438	10.9
115.00350	0.8
116.01129	1.0
116.92844	0.8
117.01940	1.3
129.01913	1.0
130.99881	0.3
135.04489	0.3
157.01447	1.1
161.02472	0.4
175.02441	0.8
371.33069	0.3
374.17218	0.3
393.87326	0.2
407.33167	0.7
423.32373	0.5
441.33701	0.3
469.33051	0.6
471.34485	1.3
525.35846	1.0
585.36963	0.3
629.36639	0.5
647.37909	100.0
648.38245	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	647.3792
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
51.56823	0.4
55.01865	1.1
57.03440	4.1
59.01377	3.4
61.98824	8.5
67.01875	0.5
68.99794	0.4
69.03426	0.4
70.28413	0.8
70.28806	0.5
71.01369	4.5
72.99287	1.5
73.02930	1.0
75.00864	15.0
78.95895	0.5
83.01368	0.8
84.02152	0.5
85.02940	21.9
87.00874	2.6
89.02438	0.7
95.01373	2.1
96.96003	1.5
99.00880	2.7
101.02419	0.7
109.09952	0.3
112.01656	0.6
113.02435	15.5
115.00352	1.1
116.01138	0.9
117.01926	0.5
129.01929	0.8
133.02963	0.4
137.06061	0.8
145.02893	0.9
156.97507	0.4
157.01393	1.2
159.14548	0.3
161.02431	0.9
175.02435	0.9
249.18466	0.3
254.99965	0.3
402.15445	2.0
403.16077	1.4
423.29004	0.3
439.32120	0.8
453.33560	1.2
469.33066	0.8
471.34705	12.7
472.35056	1.5
571.36414	2.3
647.37915	100.0
648.38239	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	647.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86391	0.4
60.27222	0.4
61.20943	0.3
61.66983	0.3
61.98816	0.4
65.53672	0.3
69.64780	1.7
69.65186	0.7
72.10538	0.3
78.95892	0.5
87.37177	0.3
90.37471	0.4
93.03427	0.4
95.05012	0.6
105.03453	3.7
117.03445	0.5
119.04999	0.7
121.02943	0.7
123.04594	0.4
126.09796	0.3
128.78033	0.3
132.02151	6.4
133.02942	19.1
134.03761	2.6
134.72241	0.4
137.02409	0.8
145.02943	2.2
149.06068	1.6
160.01637	34.1
161.02014	1.9
175.03973	37.6
176.04320	1.9
177.01901	3.8
187.57819	0.4
193.05013	1.2
324.65939	0.4
453.33481	1.2
497.32806	0.5
531.30835	0.6
573.35760	0.4
617.38531	1.8
618.38525	1.1
628.88086	0.5
629.38245	0.7
632.37122	6.1
633.37506	1.0
647.39447	100.0
648.39801	20.8
677.33502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.5
71.18838	0.7
77.05169	0.3
89.03963	0.3
95.05019	0.6
100.63749	0.3
102.96712	0.3
105.03442	3.0
108.07202	0.3
117.03462	1.1
118.23450	0.3
119.04996	1.0
123.04568	0.3
132.02155	6.3
133.02945	18.6
134.03760	2.8
136.01659	0.6
137.02403	0.5
145.02921	2.4
146.23111	0.3
149.06096	2.0
153.05692	0.3
160.01636	34.6
161.01984	1.6
175.03976	38.7
176.04297	1.9
177.01924	3.9
192.04089	0.4
193.05048	1.6
255.23180	0.6
260.68964	0.3
261.49274	0.3
279.13968	0.3
397.20181	0.4
445.93097	0.4
453.33755	2.2
497.32742	1.3
500.15417	0.3
531.31042	0.4
541.57379	0.3
587.40399	0.5
617.38654	1.6
618.38977	1.2
632.37140	5.0
633.37451	1.0
647.39429	100.0
648.39783	21.4
648.48248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3946
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
65.37458	0.4
80.38477	0.3
95.05013	0.7
105.03445	3.1
109.40823	0.3
119.05026	0.3
122.20868	0.3
126.27148	0.3
132.02150	7.1
133.02948	20.6
134.03773	2.9
135.04158	0.3
136.01654	0.9
137.02478	0.3
147.04515	0.7
149.02444	0.3
149.06067	1.8
153.05563	0.4
160.01639	37.7
161.01987	1.6
175.03979	44.9
176.04333	1.7
177.01903	4.7
193.04985	1.4
252.00941	0.3
277.13916	0.3
277.21707	0.7
313.99753	0.3
329.29614	0.3
358.74921	0.3
453.33652	1.4
497.32950	1.6
531.30756	0.5
588.38910	0.4
603.40094	0.5
632.36932	5.8
633.37598	1.5
647.39441	100.0
648.39783	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82479	0.5
59.01361	0.8
61.98819	1.3
69.27971	3.0
69.28387	1.6
69.38908	0.5
78.95905	1.2
91.77952	0.5
92.16199	0.5
95.05014	0.7
96.96010	1.7
97.10667	0.6
98.20673	1.1
101.57956	0.5
101.86807	0.5
105.03474	2.5
108.77076	0.5
132.02156	6.3
133.02943	18.2
134.03828	2.8
145.02884	0.8
147.04446	0.8
149.06068	1.6
152.99606	0.7
160.01640	35.4
161.02028	1.3
175.03979	40.2
176.04298	1.7
177.01900	4.3
192.04306	0.7
193.04990	1.8
255.23242	5.7
453.33530	1.5
483.27145	4.0
484.27655	0.6
497.32648	1.2
523.39594	0.6
538.98914	0.5
632.37262	4.9
633.37579	1.3
647.39447	100.0
648.39783	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	649.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02841	0.2
57.03433	0.3
59.01373	9.0
61.98822	1.8
69.03452	1.0
69.82784	1.2
71.01376	6.8
72.99300	0.4
73.02937	1.3
75.00872	0.3
78.95909	0.4
81.03437	0.5
82.50440	0.3
83.01370	0.8
83.05000	0.4
84.78904	0.3
85.02943	3.3
87.00883	0.5
89.02437	1.9
93.03446	0.6
95.01380	1.1
96.95996	4.7
97.02937	0.8
98.20542	0.3
98.95579	1.3
99.00868	0.7
101.02435	2.2
103.03955	0.4
105.03416	0.3
107.05042	0.4
109.02959	0.7
111.00848	0.3
113.01681	0.4
113.02442	6.1
117.03455	31.5
118.03771	0.9
119.03557	0.6
119.05011	12.8
120.05382	0.5
121.02953	0.5
123.04501	3.9
125.02417	1.1
125.66957	0.3
128.85216	0.3
132.02202	0.7
133.02936	12.1
134.03745	0.6
135.04510	12.8
136.04811	0.5
137.02400	0.3
137.06071	0.3
143.03468	0.4
145.02934	100.0
146.03284	3.9
150.03188	0.5
153.05544	4.1
155.03493	1.0
156.80498	0.3
160.01669	0.7
161.02422	38.3
162.02782	1.2
163.03993	9.8
163.06082	0.4
164.04420	0.3
165.05585	0.8
175.02431	0.7
175.03972	0.7
177.05569	0.8
179.03484	1.8
191.05585	0.5
193.04999	1.0
197.04472	0.4
203.05548	0.3
205.04958	0.3
211.06071	0.3
221.04575	0.7
227.07047	0.3
297.09747	0.7
311.07770	0.6
315.10828	0.9
337.09277	1.3
357.11581	0.4
443.15790	0.4
461.16641	1.9
485.16373	0.9
503.17679	16.3
504.18002	1.4
587.22144	0.4
607.20197	0.6
608.20343	0.3
615.86273	0.3
649.21295	45.7
650.21576	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	649.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.47699	0.2
58.00581	0.3
59.01372	9.0
61.98812	0.3
69.03448	0.5
69.37105	1.1
69.37527	0.6
71.01372	6.6
72.99300	0.3
73.02919	1.4
78.95908	0.6
81.03433	0.4
83.01375	0.9
85.02943	3.2
89.02437	1.8
89.03953	0.3
93.03489	0.3
95.01391	0.9
95.04989	0.2
96.96003	0.3
97.02930	0.6
98.20625	0.3
99.00851	0.5
101.02443	1.9
113.02438	6.1
117.00169	1.3
117.03452	31.1
118.03741	1.4
119.03522	0.6
119.05010	8.9
123.04505	4.4
125.02446	1.2
127.04028	0.4
132.02121	1.2
133.02943	11.4
134.03476	0.4
135.04506	10.7
136.04883	0.3
137.06091	0.3
143.03455	0.6
145.02934	100.0
146.03268	3.8
153.05554	4.8
155.03455	0.7
161.02423	35.1
162.02753	1.1
163.03986	8.3
164.04324	0.4
179.03474	0.8
203.05534	0.3
211.06068	0.3
297.09769	0.7
297.27661	0.2
315.10892	1.4
357.11859	0.4
433.00610	0.2
435.04968	0.2
461.16550	0.9
462.16727	0.2
485.16571	0.9
487.17743	1.1
488.18307	0.2
503.17654	15.1
504.17914	1.8
607.20361	0.7
649.21289	47.7
650.21625	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	649.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01373	61.8
60.99305	1.6
61.98819	9.1
71.01384	6.7
71.04982	1.6
71.62648	2.0
72.00883	1.4
73.02919	4.3
73.56453	1.2
74.02482	5.2
85.02928	2.6
86.02453	2.8
89.02429	3.4
93.03432	4.9
96.95988	4.1
97.06562	4.1
100.00380	4.1
101.02410	3.5
104.03542	7.5
105.97827	1.0
107.05002	2.4
113.02431	2.6
116.92842	2.5
117.03421	1.5
117.05555	4.1
119.04950	2.7
130.08691	1.1
133.02907	4.4
134.03694	5.5
134.04665	1.7
135.04533	5.8
135.09225	1.4
137.02463	7.3
144.04561	1.3
146.05992	1.3
147.04460	3.6
148.07623	1.3
149.02415	1.3
149.06018	3.4
152.03473	2.5
153.10329	5.3
155.11865	5.4
160.01587	1.3
160.04015	1.0
161.02428	7.0
161.04572	2.4
162.05519	2.1
163.03949	3.1
164.04736	6.3
164.07047	1.2
169.09717	1.1
173.04549	1.1
174.05586	2.8
176.07109	7.8
177.05522	1.3
178.02628	1.9
178.05025	2.4
179.03455	2.2
179.07103	5.7
181.04947	1.1
187.10873	2.1
188.03439	1.3
193.04996	7.5
195.06551	3.2
197.09286	2.8
206.04449	1.7
206.08185	3.5
208.09669	1.6
214.12259	4.5
217.11913	1.4
220.06064	1.3
223.06010	2.5
231.12624	2.3
232.13295	1.7
246.14915	7.6
248.13016	2.1
257.12585	1.4
262.14273	1.9
269.04395	1.2
271.14438	4.4
272.12900	1.4
273.15991	2.5
285.03995	8.0
290.14105	1.3
303.17072	1.9
315.17035	4.1
347.19800	1.2
365.17123	1.7
383.91916	1.1
391.18674	8.7
392.18704	1.3
451.20813	8.5
469.13580	1.4
487.33875	4.5
513.20734	2.6
544.21680	3.5
562.22882	5.4
587.25635	3.2
619.25000	22.2
620.25171	3.4
623.80450	1.5
631.24701	6.4
649.26221	100.0
649.38629	10.2
650.26495	16.4
650.38483	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	649.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01373	61.8
60.99305	1.6
61.98819	9.1
71.01384	6.7
71.04982	1.6
71.62648	2.0
72.00883	1.4
73.02919	4.3
73.56453	1.2
74.02482	5.2
85.02928	2.6
86.02453	2.8
89.02429	3.4
93.03432	4.9
96.95988	4.1
97.06562	4.1
100.00380	4.1
101.02410	3.5
104.03542	7.5
105.97827	1.0
107.05002	2.4
113.02431	2.6
116.92842	2.5
117.03421	1.5
117.05555	4.1
119.04950	2.7
130.08691	1.1
133.02907	4.4
134.03694	5.5
134.04665	1.7
135.04533	5.8
135.09225	1.4
137.02463	7.3
144.04561	1.3
146.05992	1.3
147.04460	3.6
148.07623	1.3
149.02415	1.3
149.06018	3.4
152.03473	2.5
153.10329	5.3
155.11865	5.4
160.01587	1.3
160.04015	1.0
161.02428	7.0
161.04572	2.4
162.05519	2.1
163.03949	3.1
164.04736	6.3
164.07047	1.2
169.09717	1.1
173.04549	1.1
174.05586	2.8
176.07109	7.8
177.05522	1.3
178.02628	1.9
178.05025	2.4
179.03455	2.2
179.07103	5.7
181.04947	1.1
187.10873	2.1
188.03439	1.3
193.04996	7.5
195.06551	3.2
197.09286	2.8
206.04449	1.7
206.08185	3.5
208.09669	1.6
214.12259	4.5
217.11913	1.4
220.06064	1.3
223.06010	2.5
231.12624	2.3
232.13295	1.7
246.14915	7.6
248.13016	2.1
257.12585	1.4
262.14273	1.9
269.04395	1.2
271.14438	4.4
272.12900	1.4
273.15991	2.5
285.03995	8.0
290.14105	1.3
303.17072	1.9
315.17035	4.1
347.19800	1.2
365.17123	1.7
383.91916	1.1
391.18674	8.7
392.18704	1.3
451.20813	8.5
469.13580	1.4
487.33875	4.5
513.20734	2.6
544.21680	3.5
562.22882	5.4
587.25635	3.2
619.25000	22.2
620.25171	3.4
623.80450	1.5
631.24701	6.4
649.26221	100.0
649.38629	10.2
650.26495	16.4
650.38483	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	649.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	98.8
61.98817	5.7
66.03479	1.8
68.45959	1.7
70.03893	7.9
71.01361	6.8
72.00890	4.8
73.02938	2.9
74.02473	9.8
75.00844	2.7
82.06510	1.7
83.70168	2.0
85.02931	5.3
89.02422	3.9
93.03434	6.0
96.95990	2.8
97.06591	3.4
97.85144	1.8
98.19962	2.0
100.00397	16.4
100.03976	1.8
101.01801	1.8
101.02425	7.5
107.05016	3.1
111.00852	1.7
113.02403	4.0
116.92809	4.7
117.03418	7.6
118.05058	2.0
119.05016	58.1
120.04551	2.7
120.05319	3.6
121.02969	2.1
123.04504	5.7
125.02383	1.8
125.06042	2.4
126.09229	6.8
131.03696	3.6
133.02895	3.9
134.03725	3.1
135.04521	14.0
136.07562	1.8
136.13907	1.7
137.02408	6.3
143.11836	4.1
144.02988	2.5
145.02939	14.8
147.04457	1.9
149.06024	4.6
153.05516	1.8
153.10326	10.2
160.04015	2.8
161.02370	6.9
162.05579	3.1
163.03984	98.0
164.04333	6.0
164.07137	11.0
164.10715	1.9
165.05472	6.8
165.06654	3.9
169.09753	2.9
169.13354	2.5
178.05051	2.7
179.03421	5.2
179.11803	2.0
180.10248	2.1
187.10796	9.0
193.04984	2.4
195.06628	12.6
197.09299	12.9
202.12242	1.8
203.11925	2.0
206.11905	9.1
234.14819	3.4
245.12878	4.0
248.12839	10.3
258.11215	1.9
260.13049	1.6
263.13934	2.8
271.14368	3.6
273.12335	6.1
275.13901	7.7
303.70691	1.8
315.13315	2.5
317.18765	2.0
347.15942	2.5
347.19769	3.3
349.14023	3.5
365.16669	2.1
369.67273	1.8
409.16043	4.8
453.18484	2.4
455.11859	2.4
469.18124	4.2
470.92059	1.7
501.23438	2.1
530.20477	4.0
545.21210	27.6
545.29443	8.0
546.21283	3.8
548.21399	4.7
563.30603	5.0
589.23822	5.5
590.23657	1.9
605.23456	89.1
606.23956	13.7
631.24896	2.0
649.26251	100.0
650.26459	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	649.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	88.6
60.01700	1.8
61.98835	1.4
68.99815	1.2
69.12379	1.0
71.01373	2.4
71.04837	0.9
72.00901	2.7
73.02943	1.6
74.02463	7.4
82.06622	2.5
85.02969	1.3
89.02464	1.8
91.05527	1.2
93.03447	4.5
94.03004	1.2
96.96008	2.9
97.06584	2.7
98.20639	2.1
99.00892	1.4
99.04522	1.0
99.92590	0.9
100.00400	13.7
101.02448	2.7
106.06628	1.7
107.03786	1.2
107.04993	3.3
109.02958	1.3
116.92831	5.5
117.03449	2.8
118.05088	1.5
119.04994	10.2
120.04515	2.1
120.05318	1.1
123.04482	4.0
124.04048	3.0
125.06016	1.6
126.09254	5.8
128.10826	1.4
130.08704	2.2
131.03778	3.2
132.04575	1.1
133.02954	5.8
133.03912	1.0
134.03740	4.0
134.06134	2.0
135.04524	18.3
135.09282	1.9
137.02444	4.0
138.05603	1.8
138.07976	1.5
143.11870	3.1
144.03018	4.2
145.02954	3.3
147.04504	2.4
147.05583	1.3
148.07596	1.2
149.06073	4.1
150.05646	1.8
153.10309	10.2
156.06647	2.2
161.02446	9.2
162.05617	3.0
163.03999	15.4
163.06306	1.4
164.07118	8.1
165.05550	8.6
165.06735	2.7
166.05109	2.1
167.07036	1.3
169.09851	2.2
170.08153	1.1
174.09312	1.3
176.07129	3.0
178.05048	3.4
179.03479	9.4
180.10310	2.0
185.09332	1.3
187.10886	8.1
188.05890	2.4
190.12433	2.2
192.06659	1.6
193.04916	1.8
195.06616	11.8
197.09306	13.4
202.12291	1.9
206.04654	1.6
206.11827	7.5
206.17821	0.9
216.10292	1.7
222.11353	1.3
230.11909	1.7
231.11394	2.4
232.13338	1.5
234.14923	2.1
245.12923	3.9
247.11055	1.2
247.14285	2.5
248.12854	9.0
260.12665	1.0
261.12436	1.9
263.13940	4.9
271.14453	2.7
273.12482	3.8
275.14005	7.1
284.03198	1.8
285.04056	3.2
289.11954	1.6
289.15469	1.8
291.13580	2.1
291.17007	2.2
299.05817	1.5
305.15149	2.0
307.12778	1.2
327.04990	4.9
329.10202	1.1
331.77927	0.9
347.16074	1.0
347.19876	1.2
349.14053	1.9
353.08926	1.8
353.12939	1.1
357.05975	1.1
365.17142	1.2
409.16028	9.2
451.21161	1.9
453.19098	4.2
455.11935	6.9
469.18237	4.9
471.18146	1.1
487.34235	2.1
530.20697	1.6
545.21387	16.4
546.21753	1.2
548.21075	5.9
571.22797	1.8
573.20758	1.8
589.23889	3.1
605.23413	100.0
606.23932	15.2
611.26947	2.1
613.19586	2.6
613.28589	1.5
631.25189	5.0
649.26141	91.6
649.38831	8.3
650.26642	12.2
650.37329	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	649.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	68.1
60.43266	0.9
61.98808	4.1
62.67236	0.9
71.01359	3.6
71.54086	1.6
71.54449	0.9
73.02930	2.9
74.02464	9.8
82.95388	1.8
83.05013	2.8
85.02928	2.6
89.02423	2.8
93.03443	3.2
95.02505	1.2
96.95986	6.3
99.00846	1.6
100.00391	5.9
101.02443	3.0
106.06574	1.1
107.04996	2.1
110.63739	0.9
112.07631	1.8
113.02409	2.5
116.07189	1.8
116.92847	3.9
117.03415	1.9
118.05077	2.3
119.05015	8.1
121.07671	2.3
123.04495	2.2
125.07165	1.6
129.10316	3.4
131.27844	1.0
133.02921	2.2
134.03673	2.6
135.04497	6.8
137.02419	4.2
137.07185	0.9
139.08763	9.3
144.04497	1.3
145.02869	2.3
147.04462	2.4
148.07713	1.1
149.02467	1.5
149.06047	8.0
155.11905	1.2
161.02406	4.7
161.04752	1.6
162.05533	2.4
163.03966	11.5
163.08759	2.2
164.04366	2.2
164.07103	1.7
166.08788	1.3
167.07076	1.2
169.09637	1.1
172.11320	1.1
173.09245	3.9
174.05562	2.3
175.03993	1.0
176.07106	4.8
177.05479	1.4
178.05016	1.4
179.03436	2.3
179.07018	1.7
180.10190	2.0
183.07736	6.3
188.03474	1.5
193.05006	3.2
195.06589	3.2
200.10739	3.7
202.08598	1.2
204.06636	1.3
206.08153	5.2
214.07370	1.6
214.12125	1.1
215.11974	1.5
216.10263	1.4
229.13348	1.9
231.07556	1.3
232.13446	7.5
233.12935	1.0
234.11337	1.3
247.14503	3.8
248.12885	2.3
248.89412	1.0
257.12833	8.2
258.11313	1.5
259.10852	2.2
273.12271	1.3
275.13931	3.2
284.03220	3.1
285.04001	12.5
289.15460	4.1
290.13824	1.2
291.13440	1.5
301.11792	2.1
309.77933	1.0
319.12796	1.5
333.14441	2.8
351.15543	1.5
391.18665	1.4
451.20694	2.8
469.18262	6.0
487.33960	1.9
530.20197	3.7
548.21417	3.1
587.26520	1.2
605.23431	100.0
606.23755	16.6
606.42841	1.0
613.19104	7.9
613.27820	1.9
614.19250	1.6
631.24829	3.2
649.26013	72.5
649.38147	7.8
650.26495	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	649.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
61.98817	1.9
71.01381	0.9
71.05022	0.5
71.30753	1.0
77.27149	0.4
78.95908	0.8
81.22976	0.5
89.02417	0.5
96.95988	0.9
101.02448	0.6
104.71796	0.4
117.03451	27.0
118.03789	1.2
119.05008	10.5
121.02882	0.8
133.02905	0.8
135.04546	0.6
141.14330	0.4
145.02931	100.0
146.03275	5.3
152.99532	0.5
161.02420	2.0
162.83876	0.6
163.03981	8.1
163.05266	0.4
201.95676	0.5
224.71442	0.6
230.91499	0.5
251.19951	0.8
289.78967	0.5
432.14960	0.5
439.32080	0.7
455.31863	0.6
485.32333	1.4
487.34174	6.2
488.34491	0.6
503.33530	1.2
567.25317	0.9
567.33392	0.8
587.37219	2.5
631.36530	1.3
649.37451	69.1
650.37769	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	649.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23933	0.3
59.05366	0.3
61.44317	0.3
63.98468	0.3
70.62627	0.5
105.03484	0.3
117.03433	1.3
121.02923	0.5
132.02155	1.0
133.02934	23.7
134.03738	3.2
135.04510	8.5
137.02443	1.8
139.03932	0.7
150.03194	0.3
161.02414	70.2
162.02769	2.5
178.02702	1.0
179.03474	2.8
186.19127	0.3
256.33292	0.3
347.94278	0.4
554.75946	0.4
587.37561	0.3
605.38354	2.7
631.36121	0.9
649.37323	100.0
650.37653	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	649.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46461	0.2
61.98834	0.9
67.26948	0.2
69.22060	0.2
70.07040	0.3
70.07451	0.6
71.01388	0.2
71.05025	0.2
71.71062	0.2
73.02949	0.2
80.17782	0.2
84.68365	0.2
89.02447	0.3
96.95997	1.9
98.19883	0.2
106.57126	0.1
117.03453	26.1
118.03796	0.7
119.05019	4.9
121.02924	0.4
133.02950	0.3
145.02934	100.0
146.03273	3.9
147.04521	0.3
153.16495	0.2
161.02409	0.5
162.83966	0.3
163.04001	4.5
163.05382	0.3
167.02054	0.2
305.12888	0.2
310.76364	0.2
423.32797	0.3
453.29913	0.2
467.31741	0.3
469.33130	0.5
471.30911	0.7
485.32516	0.4
487.34210	6.8
488.34637	0.9
501.32230	0.4
529.31232	0.3
587.37683	0.2
631.36658	0.3
649.37360	74.5
650.37726	13.3
650.49103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88973	0.5
59.01357	1.0
61.98820	2.1
65.71421	0.5
71.62158	0.8
78.95899	1.8
90.29131	0.5
92.30175	0.5
119.05003	0.7
132.02171	1.3
133.02940	28.4
134.03796	1.0
135.04518	7.1
137.02390	1.2
139.03952	0.5
145.02927	0.6
152.99544	1.8
161.02422	98.4
162.02766	3.7
178.02663	0.6
179.03447	4.2
272.72617	0.7
277.21661	1.8
455.31830	0.7
510.62817	0.8
522.20636	0.6
638.89746	0.6
649.37360	100.0
650.37665	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	649.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28122	0.2
66.75803	0.2
69.35774	1.7
72.65393	0.2
98.20572	0.4
105.03452	0.4
117.03447	1.1
121.02935	0.9
123.04459	0.2
132.02168	1.6
133.02936	28.9
134.03639	1.5
135.04506	7.2
137.02415	0.9
139.04057	0.3
145.02995	0.3
161.02417	100.0
162.02765	4.0
163.03981	0.5
178.02756	0.6
179.03462	4.4
237.06187	0.2
409.26984	0.3
425.30728	0.4
437.30405	0.5
455.31769	0.6
467.31613	0.6
587.37567	0.2
649.37329	97.1
650.37708	18.2
650.49341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98372	0.6
59.01373	4.2
61.98832	3.6
66.58939	0.6
69.25098	6.4
71.01379	2.2
71.04974	1.0
78.95886	1.2
82.40099	0.7
83.01434	0.7
85.02960	0.9
96.95998	2.4
98.20567	1.5
101.02436	1.9
113.02430	1.2
117.03456	26.8
118.03793	1.0
119.05015	5.8
133.02942	2.8
135.04541	0.8
137.06105	0.7
145.02936	100.0
146.03271	4.7
161.02440	7.7
163.04001	2.5
179.03473	1.2
343.47922	0.7
353.84793	0.7
402.15393	1.3
403.15631	1.7
487.34256	3.2
503.33990	1.3
587.37213	1.4
649.37451	70.8
650.37756	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	649.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
57.03438	0.3
59.01373	6.7
60.34631	0.2
61.34374	0.3
61.98830	2.5
71.01376	6.9
71.05030	0.6
71.62670	0.3
72.99306	0.8
73.02934	2.3
82.23540	0.3
83.01372	1.9
85.02943	4.0
87.00867	0.4
89.02441	1.9
93.03443	0.8
95.01380	0.8
96.96010	0.6
99.00876	1.0
99.04511	0.2
101.02437	6.1
103.80939	0.3
113.02441	3.5
117.91467	0.2
119.03468	0.8
119.04998	0.5
125.02439	0.4
130.08716	0.4
133.02936	0.8
134.03728	0.8
135.04504	1.1
137.02396	1.6
161.02467	1.3
161.04561	0.7
163.03973	0.8
179.03473	1.2
193.05049	0.9
208.25818	0.3
253.84489	0.3
379.18900	0.3
469.33173	0.9
487.34351	2.9
517.33533	1.9
589.35278	0.3
616.35327	0.3
631.38324	5.2
632.38745	0.8
649.39398	100.0
650.39722	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	650.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44453	0.4
59.01127	0.4
59.01377	4.4
59.21720	0.3
60.77359	0.4
61.98813	1.8
62.24505	0.3
69.40617	2.1
71.01367	0.9
74.99085	1.2
78.95880	0.5
80.93415	0.3
86.02450	0.5
87.00884	0.3
89.02440	0.8
95.05036	0.5
96.95987	1.1
99.23349	0.3
113.02405	0.7
113.04282	1.4
118.06673	0.4
119.05000	0.8
126.05601	0.5
131.05353	0.5
133.02905	1.0
135.04532	2.4
137.06070	10.3
137.75935	0.3
138.05582	0.9
140.49207	0.3
144.08214	0.5
146.06078	1.2
146.09703	0.4
148.07576	0.6
151.07646	1.0
152.07144	4.7
152.08247	0.5
161.02403	2.7
162.05582	0.6
163.03981	0.8
163.07588	0.3
164.04416	0.4
172.07698	1.6
173.11821	1.4
178.08720	2.7
179.03500	2.8
179.07080	3.0
180.10307	1.4
188.07117	1.0
190.08675	1.5
201.09502	1.4
204.10233	6.6
206.04408	0.5
206.08180	0.8
217.08904	0.4
219.10559	100.0
220.10910	5.6
222.11281	1.7
224.09267	0.8
240.06871	1.9
248.09258	0.8
266.10284	33.0
267.10516	2.0
386.16086	6.8
387.16446	0.9
430.14990	18.3
431.15164	2.3
501.18713	0.6
502.19458	0.6
568.63879	0.4
650.26416	2.4
650.37170	0.5
651.19031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02241	0.2
57.03424	0.3
59.01373	5.3
61.98830	2.4
71.01370	1.0
71.61814	0.4
73.02949	0.3
74.99088	0.7
85.02933	0.7
86.02482	0.7
87.04498	0.5
89.02446	0.7
90.97324	0.2
94.02983	0.3
95.05032	0.3
96.95992	1.5
96.96561	0.3
97.06584	0.4
101.02460	0.7
113.02440	0.9
113.04281	1.3
117.07220	0.3
118.06642	0.4
119.04994	0.9
121.06630	0.4
124.04009	0.3
126.05613	0.6
131.03796	0.4
131.05351	0.5
133.02948	1.3
135.04510	2.8
137.06070	10.1
138.05536	0.7
138.06456	0.4
144.08121	0.4
146.06099	1.1
146.09746	0.4
147.04579	0.4
148.07692	0.6
151.07611	0.7
152.03554	0.4
152.07135	4.0
153.07518	0.4
154.01515	0.3
157.05263	0.4
161.02403	3.8
161.04506	0.3
162.05597	0.5
163.03998	0.6
163.06441	0.3
164.04329	0.3
164.07152	0.3
172.07678	1.1
173.11829	0.9
175.07976	0.5
178.08710	2.7
179.03497	3.6
179.07115	3.3
180.10272	0.8
190.08684	1.8
192.06699	0.3
201.09477	1.7
204.10249	6.2
206.04529	0.4
206.08180	0.7
217.09067	0.2
219.10564	100.0
220.10909	4.6
222.11400	1.6
224.09250	0.9
240.06964	2.0
248.09198	0.7
266.10294	33.6
267.10617	2.3
292.08127	0.3
304.18939	0.4
381.55420	0.2
386.16025	6.3
387.16388	1.0
426.19586	0.6
430.14978	18.5
431.15338	2.0
501.18948	0.5
502.19052	1.2
518.25470	0.3
635.97595	0.3
650.26831	2.8
650.37933	0.4
651.18640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97953	0.5
59.01373	3.9
70.94801	1.1
71.01370	2.6
75.00861	1.0
85.02954	0.9
85.48314	0.4
87.00845	0.6
89.02437	2.2
91.46304	0.5
101.02444	0.9
113.02453	0.8
117.03453	19.4
118.03876	0.7
119.04221	0.8
119.05016	9.2
135.04568	0.7
145.02934	100.0
146.03281	3.8
159.04530	0.7
161.04585	1.0
161.06085	1.6
163.03996	14.9
187.04005	3.3
189.90718	0.5
205.05067	1.4
235.06133	0.8
265.07254	1.6
304.16452	0.5
325.09229	38.5
326.09500	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	651.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37676	0.7
55.01873	4.2
57.03446	4.6
58.00584	1.0
59.01374	20.6
69.03441	3.3
71.01376	22.9
71.61985	0.9
72.99300	44.3
73.02925	4.3
81.03455	1.1
83.01365	2.3
85.02945	11.1
87.00850	2.0
89.02445	9.4
90.40253	0.8
95.01383	1.8
96.96011	17.9
97.02958	4.2
98.95589	1.3
99.00858	2.8
101.02441	9.3
109.02932	2.7
109.12707	0.9
111.00793	0.8
113.02448	9.6
119.03487	2.1
121.02932	2.0
123.00829	1.5
125.02361	1.4
129.01939	2.1
130.08705	1.1
133.02956	1.5
134.03813	1.1
135.04492	2.6
137.02431	3.4
145.02943	2.0
146.03676	4.3
147.04547	5.0
151.03983	1.1
159.04475	7.5
161.02440	5.2
163.04004	1.2
173.02417	1.0
173.04515	3.0
175.03976	1.3
179.03482	3.3
185.06111	1.6
190.23036	0.9
191.05589	1.2
193.05031	0.9
209.06148	1.5
211.07539	1.1
225.05490	1.9
227.07085	2.7
237.05515	6.7
239.07175	1.6
253.04951	2.0
254.05655	1.1
255.06648	6.9
256.07040	1.0
265.05002	6.6
266.05655	2.4
267.06592	2.8
271.06247	0.8
281.08139	2.3
282.05280	3.2
282.08890	2.6
283.06091	32.7
284.06458	4.1
295.09903	0.9
297.07642	5.8
298.08420	30.2
299.08920	1.9
301.07224	2.1
301.10733	0.9
311.09241	1.5
312.09958	3.1
313.10782	57.7
314.11179	4.9
316.09479	2.8
331.11829	6.2
351.08585	1.6
357.09769	7.4
359.10980	0.9
366.11005	2.3
369.13422	6.9
370.13620	1.2
381.13412	6.4
429.11819	1.3
475.16125	5.5
476.16229	1.0
487.15964	1.1
489.14090	1.7
493.17099	16.5
494.17499	1.9
531.14648	1.8
535.18213	1.2
537.16077	1.0
561.16095	3.8
591.16998	4.8
592.17529	1.3
607.20258	12.7
608.20831	1.9
651.19220	100.0
652.19604	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	651.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01371	2.0
59.58540	0.3
65.05647	0.3
69.78655	1.8
69.78969	0.3
71.01376	3.7
83.60952	0.3
83.62556	0.3
85.02941	5.1
87.00911	0.3
89.02450	0.9
89.03979	0.3
91.05541	0.4
95.01364	1.8
96.03619	0.3
100.04045	0.4
101.02396	0.5
105.03440	0.3
107.05024	1.0
109.02195	0.3
109.02943	0.7
113.02434	7.9
117.03441	1.0
119.53003	0.3
121.02924	1.2
121.53177	0.3
132.02168	1.4
133.01906	0.5
133.02942	22.0
134.03767	4.8
135.04509	67.3
136.04816	2.8
137.02443	1.6
138.03192	1.0
139.03929	0.4
143.03464	0.4
149.02457	2.1
149.06053	0.3
161.02423	62.5
161.04588	1.8
162.02754	2.9
165.01932	2.2
166.02666	1.7
175.03923	0.4
177.05464	0.4
179.03470	100.0
180.03809	4.7
181.05026	1.6
190.05804	0.3
193.05040	1.5
203.03462	1.2
245.04526	0.6
251.05589	0.8
258.08331	0.4
305.06696	0.5
325.09039	1.5
329.62393	0.3
450.42792	0.3
469.13040	0.5
487.14410	3.4
489.16159	2.2
567.97357	0.4
651.19214	16.6
652.19519	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1922
Annotation	Aeschynanthoside D
Peak:m/z	Relative Intensity
55.01849	0.8
57.03441	1.2
59.01369	6.2
59.04010	0.5
61.98816	0.9
67.01866	0.8
69.43601	2.2
69.44026	2.2
71.01377	11.0
73.02911	0.9
76.02428	0.6
81.58133	0.6
85.02941	8.8
85.17393	0.6
87.00852	0.9
89.02436	2.0
93.03444	1.3
95.01362	3.1
96.96024	0.6
99.00856	1.3
101.02444	1.0
103.85528	0.6
105.03430	0.6
109.02953	3.9
113.02439	15.4
115.00354	0.8
117.03417	1.0
119.03604	0.6
120.42599	0.6
121.02965	2.1
123.04513	1.2
124.01677	0.6
125.02446	1.1
132.02185	2.1
133.02953	31.4
134.03786	4.2
135.04517	90.2
136.04817	3.3
137.02432	18.6
138.03249	4.4
139.03987	1.2
143.03511	1.7
146.03745	0.8
149.02414	4.3
149.06041	1.1
150.03133	0.6
151.03998	2.2
159.04489	1.1
161.02431	79.5
161.04581	3.5
161.06053	1.8
162.02777	4.8
163.03943	0.8
165.01904	17.2
166.02679	5.0
174.03221	0.9
175.02509	1.0
175.03955	1.6
177.05536	1.9
179.03477	100.0
180.03929	5.2
181.05048	4.0
187.04030	1.0
189.05521	1.1
191.03482	1.1
193.05011	1.6
195.06602	1.1
203.03484	1.6
205.04900	0.7
215.03568	0.8
221.04497	1.7
223.06094	0.7
233.04506	9.3
234.04869	0.7
235.06088	0.7
245.04576	2.3
251.02911	1.5
251.05571	30.7
252.05898	2.1
266.68567	0.7
269.04581	0.9
287.05530	1.7
305.06619	11.4
306.07010	0.9
306.69394	0.7
307.07971	0.8
309.49359	0.6
323.07663	21.9
323.11462	1.1
324.08145	1.6
468.84171	0.6
469.13248	2.4
487.14597	4.9
489.16373	4.0
651.19177	68.6
652.19653	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	651.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26388	2.5
59.01373	3.5
65.36999	3.0
71.01379	13.3
71.61409	3.3
85.02944	12.9
93.83055	2.4
95.01369	7.7
103.63007	2.4
113.02429	23.4
114.07087	2.6
127.36436	2.2
132.08476	2.4
133.02957	38.7
134.03731	5.0
135.03465	4.2
135.04514	83.2
136.04822	3.5
145.04965	2.5
161.01077	5.4
161.02423	100.0
162.02675	3.6
163.03983	28.6
179.03471	98.2
181.05063	4.3
233.37068	2.4
489.16113	17.0
651.19135	90.3
652.19220	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	651.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
57.47615	0.4
58.91801	0.4
59.01367	2.8
59.33672	0.4
64.33884	0.4
69.66496	0.8
69.66907	1.9
71.01377	6.2
73.02927	0.4
79.34420	0.4
85.02946	5.3
86.17924	0.4
87.00871	0.8
89.02435	1.3
91.05508	0.6
95.01376	1.7
96.88361	0.4
98.19864	0.8
101.02479	0.5
107.05067	0.4
109.02927	3.6
111.00859	0.5
113.02435	9.8
115.00333	0.5
117.03474	0.9
121.02955	3.5
123.04508	0.7
125.02458	0.6
132.02174	0.7
133.02940	16.0
134.03754	4.8
135.04509	92.3
136.04834	3.5
136.97502	0.5
137.02414	6.6
138.03169	1.4
139.03935	0.7
143.03517	0.9
146.03740	0.8
147.04539	0.9
149.02426	3.9
149.06065	1.2
161.02423	45.5
161.04585	1.8
161.06053	1.8
162.02768	1.9
163.69444	0.4
165.01901	6.4
166.02763	2.8
168.84537	0.4
174.03122	0.7
175.02489	1.1
175.03979	1.3
177.05568	1.4
178.02652	0.6
179.03471	100.0
180.03856	4.8
181.04999	1.5
185.05870	0.6
187.03987	0.8
189.05559	1.5
191.03430	1.1
193.05045	1.4
203.03464	1.2
229.04935	0.4
233.04517	11.6
234.04959	0.6
243.06618	0.9
245.04474	2.2
251.05573	34.3
252.05904	2.3
287.05441	2.1
305.06610	13.6
306.06857	1.1
308.45798	0.5
323.07669	22.0
324.07971	1.8
469.13348	1.2
487.14514	6.6
488.14633	0.5
489.16299	2.7
651.19189	35.8
652.19409	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	651.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.0
57.03434	2.8
58.00576	0.9
59.01090	1.2
59.01373	20.6
64.46388	0.7
67.69321	0.7
69.03432	2.9
71.01370	18.4
72.99299	40.8
73.02944	5.1
75.00848	1.0
81.03439	0.7
82.95363	1.0
83.01364	2.6
85.02936	9.3
87.00851	3.2
89.02435	5.9
93.03430	1.3
95.01385	1.7
96.96004	12.8
97.02921	2.8
98.95586	1.1
99.00872	4.0
101.02439	8.2
109.02920	1.7
111.00833	1.0
112.01634	0.8
113.02438	8.2
119.03484	1.6
119.15523	0.7
121.02938	1.4
123.00824	1.1
125.02412	2.3
129.01881	2.9
131.03488	0.8
134.03760	1.3
135.04472	3.2
137.02420	4.8
138.03156	1.1
145.02910	1.3
146.03676	4.5
147.04497	4.7
149.04434	0.8
151.03920	1.1
158.03717	1.2
159.04489	6.7
161.02403	4.2
165.01840	0.8
173.04527	4.5
179.03426	2.9
191.05603	1.0
193.04939	1.5
197.06097	1.4
199.04051	1.0
205.35727	0.8
211.07579	1.1
225.05484	1.9
227.07071	3.6
229.89343	0.8
237.05537	6.7
238.06067	0.8
239.07164	1.7
253.04874	1.3
255.06659	9.1
256.07062	0.9
265.05029	6.1
266.05646	1.5
267.06558	2.5
268.07239	1.2
270.05328	0.8
271.06277	1.5
281.08127	2.1
282.05228	2.5
282.08887	2.3
283.06079	34.4
284.06549	3.0
296.07187	0.9
296.10553	1.6
297.07687	5.3
298.08450	27.0
299.08862	2.3
301.07150	2.0
311.09262	1.6
311.12698	0.8
312.09906	1.8
313.10779	53.0
314.11221	4.4
316.09561	2.8
331.11789	5.4
351.08459	2.6
354.11014	0.9
357.09705	7.6
358.09744	0.9
365.10333	1.4
366.10974	3.0
369.13385	7.5
381.08878	1.0
381.13412	11.8
382.13632	1.8
429.11810	1.3
475.15875	4.3
477.19669	1.0
487.15445	1.8
489.14227	1.4
493.17120	14.7
494.17438	1.8
531.15192	1.7
535.18018	2.2
561.15826	3.0
591.17242	4.1
592.17975	1.1
607.20325	14.2
608.20270	1.7
651.19153	100.0
652.19537	16.1
652.29077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01369	31.7
61.98827	5.8
64.21685	0.7
65.99837	3.4
66.03456	0.8
67.01885	1.5
69.03435	1.4
70.51421	1.5
71.01363	2.4
72.01690	0.8
73.02956	1.7
81.02191	4.2
81.03457	1.4
83.05000	1.4
85.02949	6.6
85.04028	1.1
89.02464	1.4
91.05515	1.2
91.68748	0.7
93.03442	8.1
94.02979	1.9
95.02510	1.7
95.05000	2.4
96.03271	1.2
96.04528	3.2
96.96019	0.7
97.02967	0.8
99.00864	0.8
99.04513	1.7
100.04038	1.5
101.02417	2.4
107.05011	2.2
108.03316	0.9
109.02917	1.1
109.04064	11.0
111.00846	2.4
111.04489	5.5
111.05648	1.2
112.39940	0.7
113.02416	0.9
116.05048	0.8
118.06609	10.9
119.03510	0.8
119.05007	2.3
120.04514	2.4
122.01233	1.0
122.04752	0.8
122.06099	1.5
123.04505	3.3
124.04024	1.9
125.06002	1.1
127.03976	1.2
129.42479	0.8
133.02911	1.6
135.04500	3.7
135.05635	4.6
137.02408	10.5
137.03537	16.4
137.05949	1.0
138.05598	4.9
145.02888	1.0
146.06035	1.1
147.04501	3.5
148.04031	1.4
148.07607	1.2
148.55559	0.8
149.02428	3.1
150.04291	0.9
151.04004	1.1
152.03494	7.8
153.05531	3.4
154.05058	1.0
155.04597	2.5
158.06038	2.1
160.03960	1.8
160.07640	2.0
161.02393	3.0
162.05594	1.0
163.03940	2.0
163.05080	3.3
164.04741	2.6
164.07127	2.3
165.03020	2.1
165.05522	0.9
168.05389	1.2
169.06177	17.6
170.06192	1.0
172.04005	0.9
172.07640	12.4
173.07959	0.8
174.04198	1.0
174.05550	2.0
176.07146	2.7
178.05070	8.8
179.03438	3.3
179.04938	0.7
180.06589	3.8
186.05579	1.6
187.08716	1.7
188.03491	1.2
188.07179	4.0
189.10281	3.6
190.04926	0.9
190.08710	5.7
192.06607	1.3
194.08322	1.3
195.06381	1.3
202.05040	2.1
213.06528	1.1
213.10219	0.9
216.06673	1.3
220.09758	3.2
221.05725	3.7
223.06021	5.5
226.07454	1.8
233.09222	4.6
234.07802	0.8
240.08916	1.1
241.09781	40.0
242.10048	2.8
247.07120	1.2
252.08980	1.7
264.08719	1.0
267.11395	7.8
273.07700	5.1
273.12103	1.9
285.08688	2.2
288.26501	0.8
290.06607	0.8
291.08578	0.9
293.09216	2.6
307.14410	0.8
311.10333	5.7
315.08911	2.2
317.11353	18.4
318.11517	2.2
325.11786	2.4
335.13919	2.5
337.15530	1.7
340.37634	0.9
351.13257	0.8
367.16730	1.1
369.10773	1.2
379.12888	1.2
411.15671	1.8
447.15652	10.1
515.16785	3.8
547.20502	1.0
596.21021	0.9
615.40607	0.9
650.39014	1.9
651.21790	100.0
651.39209	5.1
652.22217	17.4
652.39154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	34.1
61.98816	5.0
69.69573	12.7
69.69980	6.3
71.01377	29.7
72.99291	13.5
73.02924	4.4
83.01286	3.6
85.02938	10.5
87.00880	4.9
88.98221	3.0
88.98798	5.8
89.02452	16.6
93.03506	4.6
95.01389	3.8
96.95989	12.0
98.19830	3.5
99.00851	5.1
101.02412	15.4
102.42165	3.3
103.00369	5.4
113.02451	24.3
117.03456	23.2
119.05018	16.8
133.02977	18.6
134.03731	36.4
135.04524	65.9
136.04832	3.9
145.02937	100.0
146.03278	5.5
149.02455	4.3
151.03957	8.2
160.01619	6.5
161.02444	46.4
163.04018	17.4
173.04453	4.1
175.03955	10.9
179.03485	56.5
190.02692	11.3
191.05547	4.4
193.05013	36.1
205.05014	10.7
223.06036	5.1
315.10526	6.2
315.52423	3.2
429.13913	13.4
447.14978	30.2
591.20850	92.4
592.21002	14.2
615.26434	41.5
616.26740	9.9
651.18915	5.6
651.27032	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	651.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00505	2.2
59.01376	43.7
61.98819	5.5
67.01888	11.3
68.99815	19.7
71.01367	14.8
71.16546	2.7
71.16880	3.5
73.02940	6.6
74.27919	2.1
78.96449	1.9
80.71230	2.0
80.75098	2.0
81.00962	2.1
81.04908	2.1
83.01372	3.8
85.02944	19.5
88.04053	2.6
89.02439	8.1
91.97733	2.3
93.03439	16.2
95.01420	4.6
99.04526	3.3
101.02438	46.7
107.05025	2.5
108.98109	2.0
109.02956	3.7
111.00878	23.8
111.04557	3.2
113.02425	5.8
116.92902	2.1
117.03428	3.0
119.05011	6.2
121.02990	3.2
123.04491	2.7
125.02441	5.6
127.03992	30.1
133.02954	2.7
133.05014	3.2
134.03700	3.2
135.04530	17.3
137.02431	29.5
137.06068	4.9
139.00378	12.3
143.03496	3.7
145.02902	3.1
147.04561	2.7
149.02414	3.6
151.04004	2.9
153.01958	5.3
153.05547	7.2
161.02429	11.5
161.04507	1.9
163.03983	6.1
169.04929	2.7
171.02963	8.4
179.03497	25.9
183.13852	11.5
193.04976	2.8
195.06624	6.1
195.13835	12.6
211.06096	4.6
213.14932	96.5
214.15369	5.0
223.06085	4.1
257.08163	3.4
275.09164	3.7
285.03879	2.4
291.08716	100.0
292.08990	7.3
317.10220	25.5
359.11438	3.0
391.14041	2.3
419.13412	8.7
446.07092	2.1
517.21851	4.9
548.33923	2.1
591.25543	3.0
591.33789	13.9
619.25134	2.8
651.28180	10.6
651.40503	27.1
652.41571	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	651.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	3.2
59.01369	90.6
71.01376	67.2
71.05023	4.6
72.99311	5.0
73.02932	3.2
81.03398	3.5
81.30610	3.5
85.02940	20.1
87.00871	7.4
87.21290	3.4
89.02433	90.0
93.03458	29.6
95.01387	6.6
96.96005	6.9
101.02429	30.5
111.04499	6.5
113.02431	38.0
117.03397	3.6
119.03503	31.0
119.05002	65.4
120.05368	4.8
121.02917	4.6
131.03503	4.8
133.02924	24.8
134.03580	3.3
135.04524	54.5
137.02435	23.3
139.07629	43.7
143.03441	8.1
145.02931	14.1
155.03482	12.9
159.10262	19.8
161.02435	64.4
161.04503	6.8
163.02715	5.3
163.04002	66.0
179.03458	100.0
179.05559	47.4
180.03677	6.3
319.08228	61.6
319.13913	74.0
320.08514	5.8
651.19238	19.0
652.19745	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	651.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09842	1.3
51.62080	0.9
52.79000	0.9
59.01372	1.5
61.98825	2.2
70.66483	2.8
80.96520	1.4
83.15595	0.9
93.03449	12.1
95.05014	1.9
101.02390	1.0
103.72211	0.9
104.75687	1.1
105.12243	1.1
107.05044	2.3
115.60310	1.1
117.03448	2.3
119.05009	1.8
121.02934	30.1
122.03773	6.5
123.04509	25.4
124.01685	1.6
133.02928	10.0
134.03699	3.5
135.04517	19.1
136.01602	1.3
137.01433	1.8
137.02429	25.9
139.03001	1.9
139.03993	21.7
145.02974	6.8
148.01619	7.6
149.02423	100.0
150.02757	4.0
151.03938	1.8
154.02710	1.5
161.02431	6.0
162.02789	2.0
163.03966	2.1
165.01891	1.4
167.03453	3.0
179.03471	8.1
229.54990	1.2
245.04453	1.1
256.05103	1.2
260.41483	1.3
348.34128	1.1
453.33807	8.6
469.33051	3.5
470.33069	1.5
471.34805	13.4
472.35120	2.6
497.32648	30.4
498.32959	5.2
575.37531	1.8
577.26935	2.3
577.38892	7.8
578.27063	2.0
589.39215	1.8
621.37836	94.6
622.38196	19.4
633.37726	24.2
634.37946	6.1
651.38831	71.2
652.39417	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	651.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89369	0.7
59.01370	2.2
61.98822	10.8
71.01383	2.1
71.62730	0.8
72.99285	0.8
75.00872	0.7
80.96536	0.7
87.00902	0.6
89.02445	2.4
93.03468	4.4
95.05000	2.1
96.96057	0.6
100.19372	0.6
101.02458	1.7
107.05006	4.5
108.02148	1.6
109.02957	1.6
111.79254	0.7
121.02931	9.3
123.04505	11.7
132.02126	1.6
133.02940	24.5
134.03760	7.3
135.04512	55.7
136.01648	1.8
136.04845	2.1
137.02428	100.0
138.02763	2.8
139.04050	0.7
139.80287	0.8
145.02942	1.1
149.02484	0.9
151.04012	3.9
156.65770	0.7
161.02420	47.3
162.02800	1.9
165.85988	0.6
167.15422	0.8
179.03464	9.9
179.05594	1.4
197.04533	2.5
199.36502	0.8
277.21619	0.9
280.79767	0.7
415.14386	0.8
453.33603	10.1
454.34128	1.3
469.33179	2.0
471.34760	23.1
472.35303	4.0
497.32675	66.5
498.33096	10.2
527.32898	0.7
540.37036	0.8
577.26440	1.0
589.38666	1.6
633.37854	93.9
634.38159	19.2
651.38885	20.6
652.39423	5.0
677.07166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09842	1.3
51.62080	0.9
52.79000	0.9
59.01372	1.5
61.98825	2.2
70.66483	2.8
80.96520	1.4
83.15595	0.9
93.03449	12.1
95.05014	1.9
101.02390	1.0
103.72211	0.9
104.75687	1.1
105.12243	1.1
107.05044	2.3
115.60310	1.1
117.03448	2.3
119.05009	1.8
121.02934	30.1
122.03773	6.5
123.04509	25.4
124.01685	1.6
133.02928	10.0
134.03699	3.5
135.04517	19.1
136.01602	1.3
137.01433	1.8
137.02429	25.9
139.03001	1.9
139.03993	21.7
145.02974	6.8
148.01619	7.6
149.02423	100.0
150.02757	4.0
151.03938	1.8
154.02710	1.5
161.02431	6.0
162.02789	2.0
163.03966	2.1
165.01891	1.4
167.03453	3.0
179.03471	8.1
229.54990	1.2
245.04453	1.1
256.05103	1.2
260.41483	1.3
348.34128	1.1
453.33807	8.6
469.33051	3.5
470.33069	1.5
471.34805	13.4
472.35120	2.6
497.32648	30.4
498.32959	5.2
575.37531	1.8
577.26935	2.3
577.38892	7.8
578.27063	2.0
589.39215	1.8
621.37836	94.6
622.38196	19.4
633.37726	24.2
634.37946	6.1
651.38831	71.2
652.39417	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	651.4112
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
54.75227	0.6
58.00572	0.9
59.01371	16.0
61.98819	6.3
69.32629	4.6
69.33036	1.3
71.01373	19.1
72.99309	0.8
78.95905	1.1
83.01365	1.2
85.02964	1.4
87.00867	1.4
89.02434	23.4
95.01406	0.7
96.96004	1.5
101.02435	9.2
102.26997	0.6
110.63158	0.6
113.02450	4.9
119.03503	4.5
120.27978	0.7
131.03479	1.3
133.02968	0.8
135.04491	2.1
141.12086	0.7
143.03444	1.7
149.04543	1.1
161.02403	2.3
161.04549	2.9
178.89751	0.9
179.03433	3.5
179.05589	14.5
180.73747	0.7
195.54947	0.6
221.28438	0.7
471.34723	100.0
472.35065	14.8
476.01770	0.7
553.34808	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72684	0.2
54.36148	0.2
58.66877	0.2
59.01382	1.3
61.98805	0.2
71.01366	1.3
73.02947	0.2
78.95895	0.8
79.95734	3.5
85.02942	0.8
89.02440	0.8
93.03460	0.3
95.01398	0.3
95.98404	0.2
96.95996	100.0
97.95921	0.4
99.00877	0.2
101.02446	0.4
109.02934	0.6
113.02436	1.9
117.03481	0.2
117.82574	0.2
121.03020	0.2
121.55461	0.2
123.04529	1.2
133.02937	3.7
134.03716	0.4
135.04504	6.9
137.02396	0.4
147.04501	0.3
149.02409	0.5
149.06081	0.3
150.03215	1.5
151.04002	2.7
159.04536	0.3
160.01489	0.2
161.02414	11.2
162.02740	0.4
164.04732	0.2
167.03441	0.2
175.03906	0.2
176.01144	0.5
177.01884	0.3
177.05531	0.3
179.03456	8.0
180.03815	0.5
189.05569	0.4
191.03546	0.3
193.05109	0.2
223.06096	0.6
226.31662	0.2
229.61613	0.2
231.79045	0.2
233.04524	0.9
251.05516	1.5
296.03964	0.2
305.06702	0.6
323.07629	1.3
355.47885	0.2
393.11877	0.2
459.14795	0.4
461.16666	0.5
473.15970	0.2
474.73175	0.2
484.33023	0.2
487.14517	1.2
555.17505	0.4
621.18158	8.1
622.18726	1.4
653.20605	3.9
654.21002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86421	0.3
56.10304	0.3
59.01373	1.9
71.01379	3.3
71.61243	0.4
85.02947	4.0
88.98771	0.9
89.02428	0.8
92.69914	0.3
93.03452	0.9
95.01374	1.6
96.95955	0.5
98.20181	0.4
105.03478	0.5
105.88090	0.3
107.05036	1.3
109.02937	0.5
113.02435	6.1
117.03431	0.6
121.02956	2.3
132.02165	1.3
133.02937	17.2
134.03799	2.2
135.04506	54.2
136.04816	2.1
137.02425	0.4
161.02423	42.7
162.02747	2.2
165.01921	1.2
168.45895	0.3
173.04601	0.5
175.04013	0.8
177.05536	0.3
179.03470	100.0
180.03819	4.2
191.05577	2.3
203.03371	1.6
208.19113	0.3
233.04543	0.6
233.26915	0.3
245.04366	0.7
251.05634	1.1
325.09219	1.8
357.08679	0.4
487.14545	7.0
488.15195	0.9
491.13901	0.5
513.39172	0.3
609.18262	4.2
610.18158	0.6
653.17163	6.4
654.17731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03446	1.4
59.01376	8.5
60.99300	19.8
61.98824	4.3
67.01876	5.4
69.03446	1.1
71.01368	9.5
71.12925	0.8
72.99324	1.2
73.02957	1.3
79.44727	0.7
82.50829	0.8
82.95425	1.0
83.05065	1.5
85.02937	4.8
87.00882	3.7
88.98795	100.0
89.02422	4.8
93.03448	37.7
95.01398	0.8
95.59699	0.8
96.95993	8.7
96.96969	0.9
101.02459	2.2
103.67518	0.7
109.02950	1.5
109.29121	0.8
111.00837	1.0
111.04498	5.3
113.02431	4.8
117.03464	0.9
119.03501	2.2
119.04984	5.1
120.99623	4.7
127.03934	0.8
129.01982	0.9
133.02951	7.8
134.03749	3.2
135.04509	31.4
135.08173	1.8
136.04865	1.4
137.02428	21.1
137.06134	1.7
145.02998	0.9
146.65155	0.8
149.02408	1.0
150.03307	1.1
151.04051	0.8
151.73064	0.8
153.09189	9.2
155.03522	3.7
160.01636	2.2
161.02428	22.9
162.02803	1.7
163.03987	1.7
165.05562	0.9
167.10796	1.3
168.73549	0.8
173.04518	72.0
174.04892	1.8
175.04066	2.0
179.03473	21.0
191.05597	6.0
193.05026	3.8
195.10246	1.0
229.27328	1.0
230.09224	0.8
281.10172	0.8
298.08380	0.9
299.11523	1.7
315.11636	1.1
479.19504	18.0
480.19757	1.8
554.95721	1.1
563.17621	41.2
564.17889	5.4
653.24548	33.1
654.24750	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.9
60.99300	0.9
61.73679	0.3
67.01881	2.5
69.03458	0.9
69.64642	0.3
69.82067	1.5
71.01384	2.2
73.02956	0.4
78.95451	0.5
78.95894	4.1
81.03443	0.9
83.05022	0.7
85.02944	3.9
87.00874	4.3
88.44363	0.3
89.02434	0.7
91.04396	0.3
93.03454	20.6
94.03797	0.6
96.96951	0.8
99.00844	0.4
99.04478	0.6
101.02425	0.8
105.10754	0.4
109.02930	0.7
111.04504	2.9
113.02464	0.9
115.04008	0.5
119.05008	6.1
121.02902	0.4
123.04530	3.1
127.04001	1.1
129.01909	0.7
135.04532	0.7
137.02426	0.3
144.82803	0.3
145.02968	1.7
150.56255	0.3
152.04858	0.3
153.05560	6.5
155.03505	0.8
163.03990	8.3
167.01846	0.3
173.04526	10.9
174.04871	0.4
191.05589	100.0
192.05936	3.0
205.01172	0.9
207.02704	3.2
217.04762	0.7
235.05833	0.8
267.09995	2.8
319.08255	0.4
319.13165	0.3
337.09180	50.4
337.14868	3.3
338.09662	3.7
338.15094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09060	0.4
57.03443	0.5
59.01369	2.0
64.54542	0.4
69.26161	1.0
69.26590	3.3
71.01376	3.1
85.02946	4.3
89.02424	0.9
93.03426	0.4
95.01373	1.2
105.03445	1.0
107.04990	0.9
107.29895	0.4
109.02939	0.8
113.02441	7.6
114.02747	0.6
116.29936	0.4
117.03436	0.9
121.02956	0.6
122.03767	0.6
123.04507	10.2
127.37692	0.5
132.02196	1.8
133.02943	34.3
134.03636	2.2
135.04515	40.9
136.04854	1.3
149.02467	0.6
150.03223	6.8
151.03992	19.5
152.04497	0.6
161.02426	100.0
162.02762	3.9
163.04051	0.6
175.04031	0.7
177.05540	0.6
179.03474	49.2
180.03873	2.8
203.03508	0.6
265.60486	0.5
402.09229	0.4
459.14935	3.4
487.14401	2.8
488.14886	0.5
588.37177	0.5
621.18170	30.5
622.18427	4.6
653.20789	11.2
654.21283	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	653.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03434	0.9
59.01371	3.9
59.50305	0.2
68.50369	0.3
69.66772	1.7
71.01376	6.2
72.99294	0.4
73.02946	0.3
77.03937	0.3
83.01389	0.4
85.02937	6.8
85.52377	0.2
87.00863	0.4
89.02448	2.0
89.03970	0.3
92.42168	0.3
95.01382	2.8
99.00933	0.3
101.02422	1.0
105.03458	0.8
107.65163	0.3
108.02126	0.4
113.02435	15.5
114.02739	0.4
117.03433	1.0
119.03470	0.7
119.04993	0.6
121.02923	0.3
122.03720	0.3
123.04504	0.4
132.02144	2.2
133.02939	37.3
134.03661	1.3
135.04503	7.7
135.08151	0.7
135.17783	0.3
136.04834	0.4
137.02396	1.6
137.06041	0.3
138.03178	0.3
143.03433	0.3
149.02396	0.3
150.03207	6.7
152.01134	0.5
153.09279	0.4
159.40462	0.2
160.01642	0.5
161.02420	100.0
162.02760	3.6
165.05537	0.5
168.04298	0.4
171.79414	0.3
173.04533	0.8
175.03935	0.7
176.71494	0.3
179.03468	4.5
181.04948	0.3
183.06535	0.4
188.06287	0.3
193.04997	0.4
231.83662	0.3
299.11133	0.6
301.43961	0.3
348.86847	0.3
476.15482	0.7
477.16049	0.9
479.19211	1.2
491.10562	0.3
491.17679	5.8
492.18015	0.8
653.20740	53.5
654.21082	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	653.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03444	1.0
58.35164	0.4
59.01375	6.2
59.85414	0.4
61.98817	0.6
71.01377	11.5
71.54042	0.3
71.62094	0.4
71.62525	0.6
72.99303	0.4
73.02947	0.5
74.48412	0.4
85.02943	11.8
87.00881	0.5
89.02441	4.2
91.75994	0.3
93.03455	0.5
95.01372	4.3
96.95979	1.1
97.02945	0.5
99.00900	0.7
101.02435	1.7
105.03440	0.6
107.05037	0.5
109.02917	0.7
113.02437	24.0
114.02759	0.7
117.03459	1.0
119.03488	0.8
119.04975	0.7
121.02953	0.6
123.04505	1.1
125.02374	0.4
132.02184	2.7
133.02945	33.5
134.03815	3.3
135.04515	21.9
135.05305	0.3
135.05595	0.4
136.04802	1.3
137.02417	1.3
143.03485	0.8
148.01636	6.1
149.02403	0.9
149.05983	0.8
149.50348	0.4
150.03206	11.6
151.03938	0.4
153.05605	0.4
160.01645	3.0
161.02425	100.0
162.02786	3.9
163.04112	0.5
165.05591	0.9
175.03983	4.0
176.01097	1.0
176.04359	0.6
177.01862	0.8
177.05609	0.4
179.03470	16.0
180.03752	1.1
181.05009	0.9
184.79608	0.4
191.03487	6.0
191.05377	0.8
193.05011	1.9
223.06088	0.5
225.97321	0.4
233.04486	1.0
238.68993	0.4
251.05557	2.4
270.05554	0.4
271.06656	0.4
313.17780	0.4
315.10822	0.8
330.09418	0.5
439.77557	0.4
455.11938	0.7
459.14789	0.5
461.16602	2.3
476.15314	0.9
477.16080	2.0
491.17624	7.1
492.18042	0.6
621.17944	0.4
653.20776	86.5
654.21234	13.9
655.11890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01371	4.2
59.49303	0.4
61.98819	2.6
63.47005	0.4
69.57356	1.4
69.57759	0.9
71.01370	5.5
72.99685	0.4
73.02942	0.4
75.00890	0.5
85.02943	8.5
87.00853	0.4
89.02461	2.3
91.92983	0.5
95.01378	2.9
95.05028	0.5
96.96001	1.6
98.19843	0.6
101.02433	1.2
105.03439	0.8
113.02436	16.1
117.03473	0.9
131.03502	0.5
132.02155	2.5
132.02994	0.4
133.02939	37.3
134.03679	1.5
135.04512	8.9
136.30800	0.5
137.02504	0.5
137.06046	0.5
143.03455	0.6
145.41284	0.4
150.03215	6.0
160.01587	0.4
161.02422	100.0
162.02747	4.8
165.05507	0.4
168.04112	0.4
179.03471	6.2
183.06624	0.5
185.84355	0.4
193.04999	0.8
213.31532	0.4
371.78174	0.4
469.13824	0.6
491.17667	6.4
526.74915	0.5
539.85797	0.5
653.20728	55.8
654.20966	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	653.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67887	0.3
57.03442	1.0
59.01369	2.6
71.01370	5.4
73.02962	0.5
83.01367	0.4
85.02940	7.9
87.00890	0.4
89.02438	2.0
91.90018	0.3
95.01385	2.7
96.95988	1.2
101.02438	1.3
105.03453	0.5
107.61370	0.3
113.02441	15.8
117.03452	1.2
119.03443	0.4
123.04562	0.5
132.02129	2.3
133.02940	37.7
134.03355	1.0
135.04506	7.8
138.03217	0.6
143.03499	0.4
149.06046	0.3
150.03195	6.7
161.02425	100.0
162.02747	3.8
165.05594	0.6
168.04161	0.6
179.03471	4.7
183.06544	0.6
193.05106	0.4
226.74213	0.4
277.37531	0.3
306.09979	0.4
371.74075	0.4
476.15363	0.6
491.17642	7.3
492.17838	0.8
620.63593	0.3
653.20752	56.7
654.21027	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	653.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15924	0.4
57.03427	0.6
57.31875	0.4
59.01373	5.1
61.61058	0.4
68.79061	0.4
69.02332	0.4
69.47559	2.7
69.47970	0.6
71.01376	7.8
71.90347	0.4
73.02922	0.8
77.03962	0.5
78.95897	0.5
83.01379	0.4
85.02942	9.6
85.03442	0.7
87.00874	0.7
88.18237	0.4
89.02457	2.9
94.45694	0.4
95.01379	3.9
95.05006	0.5
96.96002	1.3
101.02434	1.5
107.05025	0.6
109.02928	0.9
113.02436	21.1
114.02813	0.6
115.00314	0.6
116.92840	0.5
117.03455	1.5
119.05006	0.8
123.04517	1.2
125.02454	0.7
128.86594	0.4
132.02164	1.9
133.02939	34.9
134.03506	0.8
135.04504	16.8
136.04843	0.7
137.02351	0.6
138.03226	0.5
143.03479	0.5
145.02980	0.7
147.04448	0.6
149.02351	0.5
149.06102	0.6
150.03206	9.8
151.03967	1.1
161.02425	100.0
162.02751	5.6
163.03992	0.9
165.05615	0.5
168.04231	0.6
179.03467	17.0
180.03764	1.1
181.05147	0.9
191.03456	0.8
191.05544	0.7
202.38486	0.5
233.04482	1.2
251.05554	1.4
323.07614	0.5
419.24030	0.5
476.15216	0.8
487.14334	0.5
491.17648	6.5
492.17584	0.5
505.96042	0.5
531.69263	0.5
621.18286	3.0
635.18024	0.6
638.17700	0.5
653.20734	76.5
654.21082	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	653.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17229	0.3
57.41799	0.3
59.01367	2.2
64.36137	0.3
71.01363	3.5
78.95906	0.6
79.95731	3.0
85.02950	2.6
89.02461	0.6
95.01382	0.5
96.95999	100.0
98.19814	0.6
101.02405	0.6
103.52320	0.4
105.03432	0.4
107.05029	0.4
109.02946	1.2
111.12983	0.4
113.02435	4.9
123.04512	3.6
132.02196	0.5
133.02950	7.4
134.03775	0.5
135.04517	17.2
136.04832	0.6
137.02417	0.7
149.02443	0.8
150.03214	4.2
151.04013	5.9
153.05508	0.6
160.01587	0.6
161.02429	20.4
162.02744	1.4
175.04022	0.4
176.01132	4.7
177.01846	1.8
177.05605	0.6
179.03481	20.7
180.03831	0.9
191.03481	1.4
233.04523	1.6
251.05540	4.2
305.06586	1.4
306.07031	0.3
323.07690	3.3
337.09009	0.5
370.43259	0.4
436.24124	0.4
459.15170	1.4
461.16449	4.7
473.15820	0.4
487.14374	2.2
621.18140	22.9
622.18439	3.9
653.20654	7.5
653.30450	0.6
654.21161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03462	0.3
58.27971	0.3
59.01370	2.4
59.79180	0.3
68.99815	0.3
71.01375	3.6
72.54003	0.3
77.03936	0.4
85.02945	4.3
89.02457	0.9
95.01354	1.9
95.05029	0.4
98.20658	0.5
99.00840	0.6
100.91855	0.3
101.02414	0.7
105.03486	0.9
107.05022	0.6
108.02212	0.7
109.02931	1.0
113.02437	8.9
116.92799	0.4
117.03435	0.9
121.02962	0.4
122.03706	0.9
123.04506	8.4
132.02130	1.7
133.02946	37.1
134.03450	1.6
135.04515	37.3
136.04826	1.6
137.02477	0.8
143.03458	0.3
148.99379	0.3
149.02423	0.9
150.03207	5.5
151.03999	17.3
152.04401	0.5
156.02428	0.3
160.01566	0.4
161.02432	100.0
162.02771	4.8
163.03954	0.4
177.05522	0.5
179.03481	50.6
180.03816	3.0
193.04927	0.4
203.03511	0.8
205.05000	0.7
227.62982	0.3
233.04643	0.6
247.29497	0.3
251.05772	0.4
306.62415	0.3
323.07715	0.3
325.09189	0.5
333.72037	0.3
391.65579	0.3
426.14612	0.4
454.09653	0.4
459.15039	3.3
469.13794	0.7
487.14545	5.2
488.14984	0.6
491.17599	0.8
598.99231	0.4
621.18146	37.6
622.18433	6.4
640.92773	0.3
653.20734	24.8
654.21008	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	653.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87400	0.6
59.01381	3.5
66.73778	0.6
69.25526	5.5
69.25928	1.5
71.01376	8.0
72.99300	0.9
73.02949	0.9
74.92872	0.6
85.02943	7.1
89.02445	2.8
93.88618	0.7
95.01388	2.4
98.19866	1.0
101.02425	0.8
105.03432	1.0
109.02920	0.6
113.02438	14.5
117.03505	1.4
120.09183	0.7
124.59444	0.6
131.54683	0.6
132.02185	2.0
133.02939	36.5
135.04501	11.4
143.03529	0.8
149.02452	1.6
150.03218	6.6
150.12909	0.6
151.03963	1.2
153.01915	1.0
160.01642	1.0
161.02422	100.0
162.02759	4.3
164.04741	0.8
175.00325	0.7
179.03465	6.7
180.03853	1.2
190.02690	0.7
195.38434	0.8
201.28856	0.7
205.05075	0.8
223.06078	1.4
251.05440	1.1
284.75668	0.7
323.07639	0.8
429.13855	0.8
447.14899	3.3
491.17703	6.8
621.18268	2.3
653.20728	61.7
654.20996	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	653.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99710	0.4
59.01368	1.0
65.79784	0.4
70.51928	0.4
71.01371	0.6
81.03409	0.6
85.02930	5.9
87.00862	1.8
93.03447	3.2
111.04476	1.3
112.42147	0.5
113.02402	0.6
127.04012	1.8
133.02924	1.6
134.03720	0.6
135.04509	2.9
160.35976	0.5
161.02440	2.5
163.03835	0.5
165.55916	0.4
171.03008	0.6
173.04495	1.6
179.03412	2.1
191.05579	100.0
192.05907	4.0
198.64885	0.4
206.21178	0.4
299.11780	0.5
337.09338	1.3
351.06854	0.5
353.08719	13.2
354.09024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01369	3.2
71.01380	5.9
73.02927	0.6
85.02945	7.9
89.02435	2.0
95.01392	3.0
96.96007	1.1
97.80527	0.4
97.98642	0.4
101.02432	1.1
105.03421	0.6
113.02438	15.1
114.02735	0.5
114.12183	0.4
117.03471	1.0
119.03444	0.5
132.02161	2.0
133.02940	35.1
134.03653	1.5
135.04524	7.5
149.02393	0.5
150.03201	6.3
151.03839	0.4
161.02426	100.0
162.02739	4.0
179.03468	5.1
193.05017	1.4
203.10739	0.6
247.09718	1.6
279.39548	0.5
476.15323	0.5
491.17590	5.9
492.17722	0.7
609.32324	0.8
653.20758	59.2
654.21069	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	653.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31279	0.2
59.01374	1.0
62.96400	0.3
70.93385	0.3
71.01353	0.7
73.02909	0.3
78.64537	0.2
78.95893	100.0
85.02942	0.6
85.61509	0.2
89.02440	0.3
93.03445	0.5
96.96951	8.4
101.02432	0.5
112.24019	0.2
113.02472	0.3
115.04041	0.2
119.05009	0.7
127.03901	0.2
130.27725	0.2
135.04472	0.2
161.02422	0.9
163.03992	0.4
173.04510	0.6
175.06108	0.8
179.03470	0.4
186.70137	0.2
191.05586	6.0
192.06039	0.2
193.93561	0.2
249.09012	0.9
267.09979	63.2
268.10291	3.3
281.10205	0.6
298.87390	0.2
341.08755	0.3
341.12473	0.7
353.08716	0.8
382.21124	0.2
566.60870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81256	0.5
53.31734	0.5
55.01863	1.2
59.01379	3.2
67.21389	0.6
68.99799	1.7
69.82292	3.0
71.01371	8.1
72.99274	0.7
73.02946	2.7
83.01389	2.2
85.02953	4.0
93.03444	61.2
94.03788	2.3
95.01358	2.9
96.99298	1.8
97.02984	1.2
98.20522	0.9
99.00885	1.1
101.02431	9.1
107.04977	0.6
108.02170	2.8
113.02433	4.6
119.04990	1.8
121.02937	34.1
122.03691	1.9
123.04510	0.6
125.02398	1.1
133.02927	1.9
134.03741	3.0
135.04498	3.6
136.01640	6.7
137.02423	82.8
138.02740	2.8
147.04475	2.8
149.02374	0.8
151.03976	4.9
159.04482	0.6
161.02403	3.8
161.88387	0.5
162.03185	1.1
163.03993	3.2
164.04753	0.6
175.03905	0.7
177.05528	0.7
179.03520	1.9
191.03442	1.8
193.04993	1.8
221.04512	1.3
234.17751	0.5
252.83154	0.6
273.55148	0.6
281.06613	76.7
282.06992	4.4
342.10910	0.9
351.46387	0.5
356.12576	44.6
357.13272	16.2
358.13806	0.7
371.14905	16.4
372.15247	1.4
653.22205	100.0
654.22546	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	653.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07452	0.1
54.66468	0.1
57.03436	0.4
59.01368	2.1
60.17239	0.1
67.01871	0.3
70.50085	0.1
70.60353	0.3
70.60714	0.2
71.01370	1.7
72.08096	0.1
73.02932	0.3
75.00899	0.2
78.95886	0.2
81.03450	0.3
82.90137	0.1
83.04993	0.2
83.99253	0.1
85.02939	10.0
86.03288	0.2
87.00868	2.0
89.02434	0.5
93.03450	3.9
95.01375	0.3
96.96018	0.2
96.96948	0.2
99.00839	0.2
99.04482	0.4
101.02410	0.4
109.02940	1.0
111.00871	0.2
111.04500	1.1
111.26761	0.1
113.02443	2.0
119.03460	0.1
127.04014	2.3
135.04514	1.4
137.02406	0.8
149.04427	0.2
153.01994	0.2
171.03017	0.7
173.04536	1.2
191.05582	100.0
192.05923	3.7
201.44688	0.1
265.46399	0.1
309.11884	0.5
311.09769	0.5
390.22369	0.2
461.16592	6.7
462.16907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.4
60.54272	0.4
61.98822	2.0
62.82553	0.3
69.03419	0.6
69.50998	0.4
71.01366	2.6
72.99298	0.8
73.02940	0.6
82.95403	0.4
83.01369	0.4
85.02921	2.1
87.00860	1.0
88.98807	1.0
89.02431	1.7
89.03949	1.4
93.03446	1.3
95.05045	0.4
96.95985	2.9
99.00857	0.8
101.02435	1.5
107.05017	0.6
108.02174	0.4
109.02951	0.6
111.00832	0.7
111.04529	0.4
113.02426	2.0
117.03446	5.3
119.03498	0.6
119.05023	0.7
121.02938	0.7
123.04533	1.0
125.02488	0.4
131.47246	0.3
132.02136	2.2
133.02957	2.8
134.03725	78.9
135.04602	4.5
136.04768	0.5
137.02454	1.3
137.06042	0.6
139.04016	0.4
145.02998	0.7
146.03676	0.9
149.02386	1.0
149.06067	6.6
150.03236	0.9
151.03931	0.4
153.01938	0.4
153.05510	0.5
153.09227	0.6
160.01631	7.6
161.02425	5.6
161.04538	0.5
162.02722	0.6
163.03978	1.0
164.04759	1.2
165.05487	0.8
167.03485	0.8
173.04512	2.1
175.03966	8.4
178.02731	0.8
179.03493	2.4
179.07112	0.9
190.02678	0.5
191.05626	0.6
193.05023	100.0
194.05350	5.3
223.06142	0.7
284.03235	0.8
285.03992	3.6
341.12491	0.4
455.12289	0.3
459.18732	0.6
477.16403	1.4
479.19577	0.5
521.20282	1.0
604.08728	0.4
623.19495	0.5
631.15234	0.4
635.19379	0.8
645.64667	0.4
653.24493	15.4
653.35394	0.8
654.25024	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	653.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
62.96394	0.8
70.62600	0.4
78.95895	100.0
83.67992	0.2
103.51575	0.2
110.09949	0.2
111.53522	0.2
149.00070	5.1
161.02405	0.3
179.01102	0.4
205.15953	2.3
206.35788	0.2
214.40674	0.2
281.24774	0.4
285.12601	4.1
286.12872	0.3
312.23450	0.2
328.20660	0.2
355.16702	2.0
374.09518	0.2
385.17743	0.8
417.12073	0.4
447.13345	5.3
448.13580	0.6
457.06024	0.2
526.61188	0.2
638.27332	0.2
653.30029	50.2
654.30377	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	653.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59197	0.3
61.98823	0.5
69.95042	1.5
77.65605	0.3
78.95894	2.4
79.14629	0.3
80.98531	0.3
82.27560	0.3
107.83955	0.3
117.03453	15.7
118.03790	0.9
119.05006	4.6
121.02941	1.0
133.02921	0.4
145.02931	65.5
146.03246	2.2
152.99551	0.5
162.03209	0.3
163.04027	0.7
191.25699	0.3
215.73817	0.3
255.23392	0.4
314.15771	0.4
317.13589	0.3
362.67731	0.3
415.37317	0.3
453.33456	0.7
469.32846	0.4
470.33475	0.6
471.33875	0.8
497.32657	1.3
617.38367	100.0
618.38696	20.3
653.30280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80523	0.3
61.98815	0.9
80.96514	0.7
99.51641	0.4
117.03451	16.9
119.05012	5.6
121.02939	1.0
123.04563	0.5
145.02933	56.8
146.03281	2.7
155.22186	0.4
162.03227	0.5
163.03978	0.8
164.56929	0.3
165.81126	0.3
220.91925	0.3
255.23203	0.4
268.03680	1.3
274.63748	0.4
453.33572	0.8
497.32742	1.1
554.82635	0.4
555.28284	0.7
571.28955	0.8
573.40131	0.9
617.38367	100.0
618.38690	20.5
647.73773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60346	0.5
51.84374	0.5
61.98803	0.9
63.36028	0.4
69.24288	3.1
69.24712	2.2
73.12489	0.5
80.96504	0.7
92.74975	0.5
117.03448	17.1
119.05010	5.0
121.02937	0.8
145.02927	63.8
146.03235	2.8
153.09149	0.8
155.25941	0.6
163.03993	1.4
197.08124	1.1
245.78049	0.6
258.71622	0.6
453.33215	0.9
497.32446	1.4
555.27435	0.6
607.19781	0.7
617.38342	100.0
618.38770	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03439	1.0
58.00587	2.5
59.01373	38.5
60.01707	0.7
61.98816	1.2
69.03442	2.4
69.29152	2.7
69.29576	1.5
71.01373	34.3
72.01698	0.6
72.99299	3.3
73.02937	5.8
75.00869	1.2
81.03444	1.8
82.95436	0.5
83.01381	3.7
85.02948	7.7
87.00861	9.0
87.04512	0.4
89.02434	31.3
91.04006	0.8
93.03452	0.8
95.01385	2.7
96.96013	1.1
97.02946	6.4
98.20619	1.0
99.00858	2.6
99.04501	0.4
101.02433	30.0
102.02785	0.6
108.07224	0.5
109.02898	0.7
111.00876	0.5
111.04494	1.4
113.02431	14.5
113.03232	0.7
115.04018	1.2
119.03488	9.7
121.02937	1.0
125.02430	12.9
127.03979	0.8
131.03485	1.8
133.02975	0.5
133.05043	1.2
139.03970	1.0
141.01868	0.8
143.03470	6.5
145.02928	1.7
149.04514	1.2
149.30772	0.5
161.02368	0.5
161.04526	7.1
167.03477	0.7
169.04996	0.6
179.05562	6.5
181.05650	0.6
181.07167	6.2
199.06128	0.9
217.07066	1.4
221.06725	2.6
235.08185	13.9
245.06656	0.8
253.09279	3.7
255.23256	99.4
256.23599	7.9
259.08102	0.5
263.07693	1.8
277.09299	1.2
287.07739	3.6
305.08759	4.6
323.09924	2.0
379.12158	1.5
397.13434	100.0
398.13736	8.6
415.14496	35.4
416.14859	1.6
471.27945	0.8
471.34723	16.4
472.35013	3.3
473.35318	1.9
520.51544	0.5
586.47174	0.5
617.38715	2.4
644.56183	0.5
653.37769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51662	0.2
59.01373	0.5
61.98822	100.0
69.23555	0.5
69.23975	1.2
71.01414	0.3
72.06084	0.1
85.02966	0.3
93.03483	0.2
97.89532	0.2
101.02425	0.2
113.02451	0.4
116.92838	0.2
117.03455	0.6
119.05034	0.3
133.02957	0.6
134.03749	0.5
135.04507	3.9
135.05495	0.3
145.02919	2.6
149.02481	0.2
161.02443	1.4
179.03481	5.8
193.04994	0.4
269.52542	0.2
332.97141	0.2
366.70648	0.1
381.85895	0.2
467.79874	0.2
487.14609	1.2
591.20813	1.5
592.21533	0.2
654.21606	0.3
655.26245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59309	0.3
57.03438	0.6
59.01378	5.7
61.49060	0.4
61.98825	59.0
70.27624	0.4
70.62910	0.5
70.63262	1.2
71.01369	6.0
72.99307	0.7
73.02935	0.5
74.46214	0.3
83.01375	0.4
85.02950	4.5
87.00862	0.5
88.98799	0.4
89.02440	3.1
95.01365	2.1
96.96014	0.5
99.00876	0.5
99.04540	0.4
101.02445	1.5
105.03483	0.4
109.02948	0.3
111.04580	0.4
111.23518	0.4
113.02441	9.8
113.03223	0.5
117.03500	2.0
119.03474	0.7
132.02188	1.6
133.02946	27.9
134.03781	4.8
135.04556	5.2
135.25331	0.4
137.02448	0.6
149.06100	0.7
154.42886	0.3
155.10767	0.4
160.01648	1.2
161.02426	100.0
162.02777	4.9
165.87090	0.4
175.03941	0.7
179.03499	2.5
179.05284	0.4
193.05051	4.4
194.05359	1.8
219.87601	0.4
220.34512	0.4
234.02371	0.3
264.79980	0.4
325.09030	0.4
591.20740	74.6
592.21124	11.0
625.19232	0.6
637.19037	0.8
654.29114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96748	0.2
59.01091	0.5
59.01375	7.4
61.98821	100.0
71.01373	5.5
72.01739	0.3
72.99307	0.4
73.02914	0.3
75.77747	0.3
83.01397	0.2
85.02940	1.7
87.00892	0.2
89.02428	6.6
95.01383	0.7
99.04529	0.8
101.02428	3.3
113.02435	4.5
119.03493	2.5
123.04523	1.2
124.04890	0.5
131.03441	0.7
133.02934	3.8
134.03250	1.2
135.04507	4.0
136.04854	1.3
143.03513	0.8
150.03242	0.9
151.03976	2.1
152.04341	0.6
157.06564	0.3
161.02426	10.9
161.04393	1.2
161.09743	0.5
161.13315	2.5
162.02785	4.3
162.13791	0.3
170.97191	0.3
179.03523	5.6
179.05617	3.0
180.03777	2.2
185.13364	0.4
187.11259	6.8
188.11655	0.5
205.12296	5.8
229.12291	1.8
231.10333	0.8
247.13441	0.9
249.11269	8.3
250.11705	0.5
255.17500	0.3
259.13629	0.3
277.34424	0.2
291.12259	0.3
385.18607	2.0
386.19461	0.3
411.16534	8.6
412.17093	0.8
429.17575	15.4
430.17963	2.1
460.15570	0.3
488.14972	0.8
591.22827	10.3
592.23413	1.6
622.18445	5.6
622.27637	0.4
623.18994	0.8
629.16388	0.3
654.20886	2.5
655.21637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35438	0.3
59.01359	0.9
59.75408	0.3
60.99302	16.5
71.01377	0.7
73.02943	0.5
85.02946	0.5
87.00877	0.9
88.00387	0.5
88.98798	100.0
89.02430	3.4
89.99140	1.1
93.03415	0.4
101.02457	0.6
103.71716	0.2
113.02439	0.8
116.92848	2.0
117.01935	0.4
117.05380	0.2
121.02936	0.9
124.37368	0.3
134.09259	0.3
135.04529	1.3
179.03468	1.0
179.05591	0.7
180.03703	0.3
211.56215	0.2
223.06117	0.4
270.05017	0.3
403.12268	1.5
404.12787	0.3
461.16550	0.9
597.22870	0.3
611.19922	0.5
655.20807	0.4
666.22736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23064	0.4
59.01077	0.5
59.01369	4.0
61.98823	6.3
69.41836	3.4
69.42184	0.6
71.01371	2.4
72.99294	1.2
73.02931	0.8
75.00868	0.4
80.32910	0.4
80.97289	0.3
85.02943	0.8
88.98798	1.3
89.02431	1.5
93.03441	1.1
96.96002	1.0
99.00858	0.6
101.02420	2.0
109.02954	0.6
113.02482	1.2
117.03460	1.5
119.04981	0.6
122.03722	0.6
125.02425	0.9
132.02155	1.2
133.02951	1.5
134.03723	31.3
135.04561	3.0
136.05309	0.4
137.02417	1.6
137.06084	0.4
139.03944	0.5
147.04500	1.9
148.05292	1.7
149.06058	100.0
150.03165	0.7
150.06380	3.3
151.00304	0.5
160.01646	7.3
161.02443	2.3
163.03998	0.5
164.04857	0.5
165.05524	0.5
165.09241	0.5
173.04532	1.4
175.03970	8.3
178.02661	3.4
179.03435	1.3
179.07207	0.4
179.10741	0.5
191.07085	2.0
193.05023	34.3
194.05414	1.7
207.06570	0.4
223.06104	0.9
224.06427	0.4
245.27449	0.4
285.03983	9.9
323.11600	0.4
367.10223	0.5
425.14456	16.3
426.14783	1.8
443.15555	1.2
446.52615	0.4
469.13419	15.6
470.13757	1.8
481.30844	0.6
542.87811	0.4
593.12805	1.6
595.36456	0.5
619.19971	21.9
620.20422	3.8
655.29291	1.0
655.37921	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	655.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01377	7.0
61.98829	1.0
69.23769	1.6
69.24190	3.4
71.01372	9.6
72.99316	1.1
73.02953	0.8
73.58047	0.5
74.99075	0.5
75.00893	0.6
81.03482	0.8
83.01401	0.9
85.02934	5.4
87.00872	1.0
89.02443	2.0
95.01393	2.1
96.96020	1.0
97.03027	0.6
98.20625	1.1
99.00864	0.7
101.02449	1.3
103.35665	0.5
109.02937	2.8
113.02438	9.8
119.03490	0.7
120.99627	0.8
121.02921	0.8
123.00850	0.6
123.04518	9.4
125.02451	1.2
132.02145	1.3
133.01402	0.5
133.02951	8.8
133.05070	0.7
134.03734	4.1
135.04509	77.1
136.01631	1.9
136.04805	2.6
143.03517	0.9
149.02475	0.6
149.06038	1.0
151.00310	0.8
151.03986	2.4
153.05547	2.1
153.09180	0.7
155.10789	0.7
160.01601	4.5
161.02425	24.4
161.04521	1.2
161.06021	0.7
162.02783	0.9
166.02715	1.1
167.03429	2.7
175.03979	4.2
177.05589	0.8
178.02692	0.6
179.03470	100.0
180.03804	5.1
181.05045	1.7
189.05516	1.7
190.02647	0.5
191.03613	1.1
191.05557	1.3
193.05006	1.2
197.08124	1.0
207.72586	0.5
223.06117	0.6
229.04985	0.7
233.04451	6.5
243.28604	0.6
245.04538	1.6
251.05563	20.3
252.05873	1.3
287.05679	1.7
305.06610	7.9
315.10815	1.1
323.07678	19.5
324.08017	1.6
337.09436	0.8
433.14874	0.8
449.16669	1.0
461.16458	3.6
487.14502	19.0
488.14703	2.0
493.16547	3.5
503.17593	6.9
507.59641	0.6
593.18390	1.3
611.19336	2.4
623.19055	0.6
625.21399	1.0
637.21155	7.1
638.21161	0.8
655.18335	10.4
656.19543	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	655.1873
Annotation	Hellicoside
Peak:m/z	Relative Intensity
59.01373	1.4
69.26974	0.5
69.27378	1.4
71.01376	2.0
71.40060	0.2
73.02942	0.3
81.03477	0.2
84.02147	0.2
84.28175	0.2
85.02953	2.4
89.02425	0.4
89.03966	0.2
93.71199	0.2
95.01382	0.9
95.05012	0.2
98.20611	0.5
101.02473	0.2
102.97984	0.2
107.05018	0.7
109.02972	0.4
113.02444	3.4
116.92842	0.9
117.03459	0.4
119.04945	0.2
121.02946	1.5
123.04520	2.9
132.02182	0.5
133.02954	6.2
134.03752	2.9
135.04518	55.6
136.04842	2.2
140.57784	0.2
149.02437	0.3
150.03256	0.3
153.01900	0.2
153.05615	0.2
160.01653	0.6
161.02438	17.2
161.04547	0.4
162.02771	0.7
165.05544	0.4
166.94904	0.2
167.03474	0.9
175.03947	1.0
177.05489	0.3
179.03484	100.0
180.03819	3.7
189.05412	0.2
193.05077	0.3
201.05534	0.3
203.03459	0.5
209.04559	0.9
233.04471	0.3
245.04591	0.7
251.05505	0.3
315.46686	0.2
323.07623	0.6
325.09360	0.2
374.41141	0.2
449.16806	0.2
459.15210	1.2
461.16412	0.3
487.14484	10.5
488.15012	1.1
493.15540	0.3
611.19464	1.4
655.18500	2.5
656.18701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
57.91675	0.4
59.01366	5.4
60.99298	0.9
61.98820	1.2
67.01881	6.9
68.99815	1.9
69.03440	1.9
71.01373	8.3
72.99288	0.5
73.02941	1.1
81.03453	1.6
83.04997	1.5
83.93272	0.5
85.02937	2.4
87.00864	1.3
87.04498	0.8
89.02440	2.2
93.03446	35.2
94.03790	1.2
95.01379	0.6
95.05018	0.7
96.95979	0.5
101.02431	4.8
105.01929	1.0
109.02962	1.1
111.00874	3.0
111.04505	6.0
113.02424	2.9
117.03353	0.4
119.03470	1.1
119.05005	2.1
122.63657	0.5
127.03994	1.8
130.08748	0.7
132.02083	0.5
133.02919	4.2
134.03552	0.4
135.04521	7.6
135.08109	1.6
136.04823	0.9
137.02444	6.8
137.06065	1.6
137.09702	7.7
139.00323	1.0
155.03503	6.4
155.10754	30.1
156.11057	1.3
161.02422	10.8
162.02728	1.8
171.03069	0.6
173.04518	100.0
174.04890	3.9
179.01845	0.7
179.03464	12.9
180.03810	1.4
181.08673	1.8
191.05611	0.7
199.09729	9.2
213.11325	0.7
241.10770	1.8
251.80206	0.4
259.09671	1.2
281.06845	0.9
291.08630	3.9
292.09235	0.5
296.09265	1.2
314.11371	0.5
361.12997	2.2
481.20694	48.8
482.21039	4.9
615.47760	0.5
622.21429	1.9
623.21442	0.8
624.21594	0.7
655.26013	31.4
656.26471	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	655.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73280	0.8
53.93773	0.8
59.01373	100.0
60.01707	0.9
61.98807	2.6
65.40417	0.9
71.01357	1.0
71.62249	1.0
72.66611	0.7
88.83798	0.9
96.96000	7.7
117.00418	0.8
119.05015	2.1
137.02425	1.4
141.01685	69.9
142.02039	1.1
145.02921	2.7
154.13808	0.8
173.08238	0.9
173.24403	0.8
173.44566	0.8
177.84659	0.7
185.02171	2.2
188.57484	0.9
212.50819	0.8
275.06305	1.6
277.21683	2.6
327.46494	1.0
354.85699	0.8
359.22079	1.2
366.81769	0.9
391.19266	1.0
429.83740	0.8
471.34744	0.9
478.13147	0.8
535.27911	1.3
536.28485	0.9
655.35864	5.8
656.36908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
59.59980	0.4
60.01717	0.7
61.98820	4.2
69.47336	2.1
69.47765	2.1
71.01380	1.3
78.95911	1.2
81.85818	0.5
96.99312	1.5
97.02933	0.7
97.06575	0.5
113.00957	0.8
141.01683	70.0
142.01997	1.2
142.05067	1.5
145.02942	1.2
152.99533	1.9
173.03003	0.5
201.02570	0.7
205.26128	0.5
209.11858	0.6
216.00432	0.5
275.06161	4.8
277.21680	1.7
317.07224	0.9
354.01260	0.6
359.21933	1.2
391.19641	2.7
391.23965	0.5
441.12018	0.5
535.27380	6.1
536.27466	1.3
595.29102	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	656.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
61.98819	23.9
71.01382	5.2
71.60858	1.0
73.02918	1.1
76.72430	0.6
85.02941	1.7
89.02422	5.1
99.00870	2.4
101.02438	2.4
107.05013	1.5
110.30544	0.7
113.02421	2.1
116.03820	0.7
117.03446	1.3
119.04991	1.8
120.90219	0.8
133.02937	21.4
134.03755	6.5
135.04504	100.0
136.04755	3.6
149.02379	0.9
149.04546	0.9
151.03969	1.4
161.02419	63.1
162.02711	2.8
177.01961	0.9
179.03468	63.3
180.03815	2.4
227.03391	0.8
255.02954	2.4
284.03198	2.4
285.03867	3.6
333.86905	0.8
341.97937	0.8
395.17358	0.8
430.46338	0.9
459.15250	0.9
487.14374	1.2
493.28619	0.8
582.03882	0.8
593.18701	98.5
594.19092	14.8
621.17975	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	657.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.7
58.44747	0.5
58.46189	0.5
59.01383	2.0
63.25467	0.6
69.48557	1.3
69.48969	3.2
71.01368	3.4
76.47511	0.6
81.33346	0.5
83.66595	0.5
85.02927	5.3
89.02435	1.0
89.41254	0.6
95.01388	1.7
97.11923	0.5
97.26625	0.5
101.87790	0.5
105.03454	0.9
107.05038	1.2
109.02922	0.7
113.02426	8.3
117.03460	0.9
122.03843	0.6
123.04493	4.5
132.02135	0.9
133.02939	25.3
134.03770	6.4
135.04506	71.5
136.04842	2.7
138.74590	0.5
149.06007	0.6
150.03229	2.8
151.04004	9.6
161.02419	78.6
162.02766	4.1
177.01822	0.8
178.02753	0.6
179.03467	100.0
180.03836	4.1
193.05032	3.0
195.04941	0.5
203.03526	0.9
233.04210	0.6
323.07797	0.8
459.14847	4.2
460.15784	0.7
469.13458	1.0
487.14493	7.8
488.14911	1.4
621.18109	56.2
622.18463	9.8
625.20068	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	657.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37767	1.1
59.01373	31.5
67.01884	5.5
68.99805	14.0
69.29687	8.3
69.30094	2.7
71.01371	4.9
72.99312	7.2
75.00862	70.3
85.02931	6.3
89.02441	5.5
89.86853	1.2
91.05541	1.2
93.03439	8.2
94.76938	1.1
95.01366	2.9
98.19856	2.7
99.04514	2.6
101.02433	32.9
104.41754	1.2
105.28194	1.2
111.00877	16.1
111.04523	3.4
113.02400	2.1
117.03420	1.6
119.03503	3.2
119.05017	10.6
121.02955	5.4
123.04504	1.7
125.02439	2.7
125.06109	2.1
127.03989	14.6
133.02954	3.7
133.40344	1.2
134.03719	4.0
135.04506	8.6
137.02412	3.2
137.06078	7.3
139.00359	8.7
143.03409	2.0
145.02931	1.4
149.06017	1.4
151.00319	1.6
151.03983	1.9
151.07628	18.9
153.01865	4.0
153.05577	3.3
161.02454	6.4
163.03946	8.2
165.05521	1.3
167.03444	1.4
171.02957	7.8
177.05551	1.2
179.03468	18.6
179.05566	1.9
189.01932	4.5
193.05013	5.1
195.06601	15.7
217.05002	1.3
221.04459	2.9
235.23689	1.5
239.05611	2.8
257.08331	6.0
269.14154	1.8
275.09216	2.6
285.03949	7.0
286.04376	1.7
291.08704	100.0
292.09122	5.9
315.12341	22.4
316.12500	2.4
317.10248	28.3
318.10468	2.2
327.08664	3.1
359.11279	19.9
419.13406	30.0
420.13708	4.4
581.18805	4.4
657.26282	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	657.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44358	0.4
55.01861	0.8
58.00576	1.5
59.01371	36.3
65.70247	0.4
71.01373	23.9
71.59950	0.6
72.78255	0.3
72.99284	1.4
73.02940	1.1
75.00858	0.4
81.03445	0.4
83.01402	1.2
85.02930	4.1
87.00845	1.7
89.02432	26.3
91.58913	0.4
95.01362	2.0
99.00909	0.6
101.02428	15.1
107.05029	0.8
108.02149	1.2
109.02967	0.7
113.02426	8.9
115.01266	0.4
119.03483	10.7
123.04539	3.0
131.03494	1.0
131.75725	0.5
133.02876	0.7
135.04510	34.8
136.04784	1.3
143.03465	1.4
149.04559	0.8
151.00536	0.4
151.03966	0.8
152.01103	0.7
153.05569	4.3
161.02411	1.8
161.04546	1.4
164.49100	0.4
179.03374	0.5
179.05588	5.3
195.05054	1.1
308.19702	0.5
314.58560	0.6
315.10797	100.0
316.07773	0.4
316.11142	8.9
326.85080	0.6
341.10886	19.7
342.11136	2.4
343.12164	2.9
423.42792	0.5
473.89792	0.5
559.44159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11132	3.5
57.03445	6.4
59.01375	100.0
61.98820	16.3
69.10497	3.7
69.22237	3.9
69.53668	12.5
69.54101	13.1
71.01377	64.3
72.99294	7.6
79.05524	17.0
81.07094	14.0
83.01376	10.3
85.02935	14.5
88.98795	5.6
89.02440	47.6
95.01377	3.6
95.05036	21.3
96.96008	7.1
97.02923	6.5
99.04495	6.4
101.02428	26.2
107.05023	35.7
107.08649	7.3
109.06609	3.5
113.02408	24.1
119.03506	13.4
121.06583	33.2
123.06421	3.7
125.06076	18.0
130.08755	4.2
131.08682	4.2
131.24692	3.5
133.06598	8.0
135.04485	11.9
137.06050	5.0
143.08649	13.4
145.06427	3.4
145.10168	6.0
147.11755	12.3
159.08066	3.4
159.11743	22.0
161.02405	11.5
161.09550	5.0
161.13333	4.3
162.02811	3.7
171.11745	5.3
173.13353	22.9
179.03470	11.3
181.08546	3.9
183.08098	3.8
185.09653	8.4
201.12770	4.7
203.10757	22.2
209.13451	6.1
211.14926	9.0
213.16486	6.5
223.14940	5.5
225.16470	17.3
237.16463	12.6
247.09669	48.8
248.10028	5.3
249.12740	6.2
251.14494	4.0
251.18054	5.1
253.15950	8.5
257.07739	5.3
263.14368	8.8
288.15356	4.3
291.06516	10.3
317.22589	3.9
319.24295	80.8
320.24567	6.4
343.20844	4.9
345.18314	6.4
345.22205	95.3
346.22556	9.5
363.23251	97.5
364.23517	9.9
371.19992	8.7
389.21161	48.8
390.21307	5.3
407.22217	93.8
408.22559	12.0
409.15338	8.6
433.20059	41.2
434.20023	5.4
451.21051	31.6
452.21475	5.7
477.19186	19.4
492.15659	4.2
495.20148	83.8
496.20676	13.4
621.25653	6.0
657.25189	75.9
658.26056	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	657.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77257	0.3
58.44355	0.4
59.01372	5.2
61.98824	3.3
67.01876	0.8
67.82409	0.4
69.03465	0.5
71.01384	0.7
79.05520	0.5
80.05066	0.4
80.71079	0.4
82.78323	0.4
85.70722	0.4
88.98807	0.9
89.02441	0.8
93.03455	0.9
95.05029	0.5
96.95988	0.9
98.20574	0.8
101.02441	0.6
107.03752	0.8
108.04539	0.8
113.02410	0.4
114.25501	0.4
117.03412	0.4
120.04533	2.2
121.02837	0.4
121.05321	1.7
122.06116	6.3
132.04561	0.6
133.02928	0.6
134.03720	3.8
134.06087	3.7
135.04538	2.1
135.06870	1.2
136.07664	10.4
137.02419	0.8
137.07990	0.5
138.05595	0.5
147.04517	0.5
148.07629	0.4
149.02351	0.5
149.06056	7.9
150.06728	0.9
151.00420	0.5
152.07161	2.6
152.19711	0.5
158.02464	0.7
161.02396	1.6
161.07169	1.0
161.24307	0.4
162.05559	0.7
163.03967	0.6
165.05554	7.5
171.11784	1.8
172.12082	0.6
173.04524	0.5
175.03983	1.5
179.03455	0.8
186.09193	0.7
190.05054	3.1
193.05022	4.0
194.05350	0.6
198.09201	1.6
199.09991	1.7
214.12331	9.5
215.12575	0.9
216.08980	0.4
223.06166	0.7
226.07425	1.0
227.08261	1.8
228.08936	1.0
229.09790	4.7
230.11844	3.5
241.09782	7.3
242.10550	14.7
243.10829	0.7
256.12079	0.6
257.12912	84.3
258.13248	5.5
283.10776	0.9
285.04007	3.2
285.12436	0.7
286.04364	2.2
291.43784	0.4
300.11191	0.9
301.11884	100.0
302.12167	7.9
327.10519	0.9
355.12875	5.1
356.13467	0.8
357.11038	0.7
425.14493	1.3
445.01294	0.4
449.32776	0.6
469.13364	0.9
495.22232	2.6
495.33347	1.1
535.24536	0.3
553.21301	0.7
581.22998	0.4
583.22205	0.9
594.14197	0.4
595.14191	0.4
619.20526	0.8
621.20135	0.5
625.23230	0.8
657.25458	4.1
657.38391	6.2
658.25311	1.1
658.38721	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	657.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
57.03448	2.5
59.01373	34.5
70.60836	3.2
71.01373	32.5
71.08461	1.3
72.99300	3.7
75.00845	1.3
83.01391	6.2
85.02940	21.1
86.00086	2.1
87.00871	6.6
87.99212	1.2
88.98806	1.8
89.02424	12.0
95.01376	3.8
96.96002	31.0
99.00874	3.4
100.51202	1.3
101.02438	30.8
109.02933	1.4
111.00887	1.2
113.02435	16.4
119.03495	4.5
123.04505	1.7
125.02413	2.1
133.02945	1.9
135.04501	4.9
137.09734	1.1
143.03433	1.4
153.25807	1.1
155.10742	1.2
161.02393	3.8
161.04547	5.2
174.05614	1.3
179.03482	3.1
185.11816	4.7
191.05605	2.2
219.59328	1.4
240.03754	1.1
247.31218	1.3
303.18265	2.3
327.04919	2.1
329.16052	3.2
347.17029	21.4
348.17505	1.4
422.66876	1.3
490.45258	1.4
509.22296	100.0
510.22748	10.4
657.26129	93.0
658.26373	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	657.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81318	0.4
58.00591	0.4
59.01090	0.5
59.01371	7.6
59.45960	0.3
61.98811	1.6
66.44163	0.3
68.99813	0.7
69.03447	1.2
69.32890	3.2
69.77351	0.4
71.01375	6.0
72.73374	0.3
72.97524	0.5
72.99287	0.7
83.01363	0.5
85.02935	2.0
87.00875	0.6
88.98780	0.6
89.02433	5.6
89.03942	1.5
93.03429	1.3
95.01381	0.5
95.05015	1.5
96.95976	1.9
99.00863	1.2
101.02422	3.8
109.02895	0.5
111.00838	0.7
113.02430	3.5
116.92842	1.0
117.03442	6.4
119.03476	1.5
119.05031	0.7
121.02903	1.7
123.04506	1.3
125.02424	0.6
131.03448	0.8
132.02161	2.6
133.02937	1.1
134.03723	84.9
135.04424	3.5
137.02428	1.9
139.00316	0.6
139.03000	0.4
139.04025	1.0
143.03481	0.6
147.04503	1.1
149.02417	1.4
149.06058	7.5
150.03209	1.8
151.03976	0.8
153.01891	0.6
153.05580	0.9
153.09174	0.7
160.01633	11.4
161.02449	3.7
161.04578	0.7
163.04002	0.9
165.01822	0.4
165.05537	2.4
167.01709	0.9
173.04533	0.4
175.03975	13.3
176.04582	0.9
178.02646	0.8
179.03413	2.5
179.05551	0.9
191.03423	0.4
191.07120	1.3
193.05025	100.0
194.05363	4.5
195.06590	1.2
211.07626	0.4
223.06087	1.4
235.06012	1.9
265.07217	0.5
315.10858	0.5
316.18405	0.4
331.06512	0.4
378.96194	0.4
389.12427	1.0
403.12485	0.6
431.13419	0.7
437.90399	0.4
447.14578	1.4
448.14893	0.4
459.14633	0.5
463.21838	0.8
477.15958	2.7
480.14954	0.4
495.16562	2.0
509.20151	0.5
539.18127	0.7
571.15112	1.4
621.07928	0.4
621.18964	0.5
657.27704	21.1
658.28357	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	657.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.6
61.98809	1.2
62.11157	0.4
68.99795	0.6
69.03426	0.7
71.01369	4.8
72.99289	0.8
73.23518	0.4
83.01348	0.5
85.02930	1.6
87.00867	0.9
89.02432	3.7
89.03944	1.8
89.82604	0.4
93.03445	0.9
95.05014	0.4
96.95987	1.3
97.82579	0.5
99.00871	1.4
101.02428	2.2
107.29079	0.4
109.02930	0.5
113.02411	3.5
116.92838	0.6
117.03452	4.4
119.03497	0.9
119.04991	0.6
121.02918	1.0
122.03726	0.4
123.04494	1.1
125.02412	0.6
131.03441	0.8
132.02165	2.6
133.02927	1.6
134.03723	88.6
135.04428	3.3
136.01674	0.9
137.02419	1.5
139.03957	0.8
147.04489	1.1
149.02423	0.8
149.04778	0.8
149.06056	7.3
149.90079	0.4
150.03200	2.0
151.04002	0.8
153.01942	0.6
153.05518	1.0
153.09221	0.4
160.01637	11.3
161.02452	3.1
161.04594	0.7
163.03979	0.8
165.01912	0.5
165.05530	2.0
175.03975	14.5
176.04523	0.4
178.02672	1.0
179.03467	1.5
179.05592	0.4
191.05582	0.6
191.07225	0.5
193.05028	100.0
194.05374	5.1
195.06543	0.9
198.06293	0.5
220.03949	0.5
223.06088	0.6
235.06108	0.9
281.06601	0.5
306.30511	0.5
315.10699	0.7
365.77658	0.4
386.18738	0.5
389.12286	0.6
410.38364	0.5
431.13498	0.8
432.11877	0.5
447.14618	1.3
477.16040	2.4
495.16916	1.6
657.27679	17.7
658.27972	3.5
676.15533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03433	1.3
58.00581	1.1
59.01097	1.0
59.01373	18.9
61.98818	2.3
68.49941	0.6
71.01373	36.1
71.62405	1.0
72.99292	2.0
73.02940	8.0
75.00858	0.7
76.40039	0.6
78.91859	0.7
80.91225	1.3
80.91676	18.1
83.01372	3.1
85.02940	14.6
87.00852	1.7
89.02423	7.5
95.01371	4.3
97.02946	1.2
99.00847	2.7
101.02435	12.2
107.05006	0.9
113.01680	1.3
113.02436	20.2
113.03218	1.1
114.02809	0.9
119.03481	3.0
121.02877	1.2
123.04512	10.0
125.02356	0.7
134.03754	1.3
135.04506	44.9
136.04794	1.9
141.01675	0.7
143.03529	0.8
150.03194	1.0
153.05551	17.3
161.04512	1.3
169.89642	0.7
177.05594	1.1
195.06538	1.2
205.01117	2.6
207.02710	5.5
212.80394	0.7
217.04791	1.0
228.26552	0.6
235.05908	1.2
277.21677	8.4
278.21805	1.1
291.23276	3.1
297.09747	100.0
298.10031	7.9
315.10818	17.5
315.13470	0.5
319.07941	17.8
319.22693	1.1
320.08237	0.8
330.48203	0.7
337.09003	16.3
338.09293	1.1
397.09866	1.5
501.07678	0.8
575.32153	32.5
576.32544	5.5
597.30249	18.2
598.30695	2.9
654.00525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07227	0.6
52.85796	0.6
53.18546	0.5
54.24074	0.7
59.01374	16.9
61.98813	2.7
62.02995	0.5
64.05767	0.6
69.37693	5.4
71.01377	10.4
73.02940	2.0
79.05521	0.9
79.36156	0.7
79.73409	0.6
83.01374	1.1
83.04993	0.7
85.02939	3.5
89.02430	8.9
93.03469	0.7
95.01363	1.5
95.05042	0.7
96.96004	3.3
97.02979	0.8
99.04537	0.8
99.05614	0.7
101.02425	11.4
101.28391	0.6
104.03535	1.2
107.05022	1.2
107.08655	0.8
113.02422	7.2
119.03490	3.9
125.05970	0.6
129.06670	1.4
129.17862	0.6
133.02931	0.9
133.06593	0.8
135.04509	1.8
143.08681	0.6
147.11798	1.4
152.65152	0.6
155.08311	0.9
157.10272	0.8
159.11815	1.4
161.02455	1.5
161.04517	2.2
173.04491	0.6
179.03432	2.2
179.05554	1.0
183.13934	0.6
197.13448	0.6
198.32771	0.7
203.10728	2.7
204.03317	0.7
204.07397	0.7
246.86670	0.6
247.09673	5.3
248.09885	0.6
257.07559	1.4
268.13232	0.6
279.23221	6.1
291.06512	6.2
297.24393	1.7
311.09842	0.7
319.24152	6.6
320.24579	1.0
345.22083	3.3
363.23221	4.6
389.21173	1.7
407.21887	3.3
433.19800	1.4
441.28522	5.1
442.28857	1.1
451.21130	2.2
459.29572	100.0
460.29944	12.6
477.19147	1.1
483.29675	0.7
495.20578	2.0
495.29956	1.4
531.31604	1.4
657.24011	1.1
657.32434	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	657.4132
Annotation	Fucoxanthin
Peak:m/z	Relative Intensity
59.01370	4.8
59.18221	3.2
61.98811	11.9
69.42120	23.5
96.96001	5.2
135.04555	4.9
146.94646	4.5
161.02399	4.5
179.03465	9.5
306.94888	3.7
394.22256	3.8
625.22778	10.8
635.65021	4.1
657.41492	100.0
658.42438	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	658.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
59.01368	3.9
61.98824	27.3
68.82703	0.7
71.01377	4.9
71.61148	0.8
71.61556	1.0
73.02959	1.0
76.60589	0.8
80.03413	0.7
85.02943	1.6
89.02430	3.9
93.03459	1.2
95.05039	1.5
96.96017	1.3
98.00101	0.6
99.00892	1.8
101.02434	2.9
107.05019	1.5
113.02438	1.6
116.02257	0.7
117.03435	1.2
124.01653	3.2
125.02410	2.3
127.03998	1.9
133.02936	15.9
134.03723	6.9
135.04509	100.0
136.04817	3.1
139.00357	0.9
139.03995	1.8
151.68494	0.7
161.02423	47.7
162.02802	1.9
165.05301	0.7
179.03474	61.8
180.03775	2.9
214.47705	0.8
226.08928	0.7
299.35751	0.7
299.49319	0.8
311.09161	0.8
314.85196	0.7
347.67087	0.7
419.14987	1.4
455.11871	6.4
467.16858	1.0
477.72852	0.7
479.17270	2.2
509.22574	1.5
510.22748	0.9
595.16595	91.8
596.16986	13.5
651.93237	0.7
658.26154	1.0
659.26086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01374	4.0
67.01880	0.8
71.01379	1.4
71.62260	0.4
73.02926	0.9
83.04986	0.4
85.02946	6.3
87.00864	2.0
87.74731	0.4
93.03451	7.3
96.95996	3.2
97.83128	0.4
99.04507	0.8
99.25391	0.3
105.03439	1.3
107.05034	0.5
109.02944	4.0
111.04510	1.6
113.32814	0.4
117.03474	0.4
120.99696	0.5
123.04487	0.9
127.04025	1.6
133.02945	9.3
135.04507	6.7
138.05563	0.4
149.02432	0.4
150.03247	0.5
151.03987	0.5
153.09178	0.4
155.10767	0.4
157.08672	1.3
157.12337	0.4
159.04504	1.0
161.02432	4.5
173.04527	5.6
173.11804	0.5
173.43227	0.4
177.01926	3.2
179.03477	4.1
181.05173	0.4
185.02429	0.8
191.05586	100.0
192.05933	3.5
201.11292	1.6
203.03387	0.8
208.81418	0.3
215.05582	4.8
219.12337	8.3
220.12740	0.4
225.11229	0.5
229.01381	2.3
261.13419	7.5
277.04956	0.7
280.03885	0.5
295.06171	2.5
304.98407	0.4
305.06870	2.0
305.12442	0.9
307.08273	0.9
321.04019	1.5
326.47769	0.4
339.04993	5.5
340.05313	0.6
351.02856	0.4
351.07162	8.9
352.07675	1.1
353.08704	10.5
354.09073	0.8
467.09906	3.5
468.10172	0.5
602.43945	0.4
636.58392	0.4
659.21594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.8
71.01373	7.1
84.18896	0.5
84.40806	0.6
85.02943	6.8
89.02441	3.5
95.01377	3.0
98.20551	1.7
101.02440	1.1
110.09835	0.6
113.02433	16.1
117.03440	0.7
123.04479	1.7
132.02164	1.0
133.02942	26.1
134.03326	1.0
135.04507	19.3
136.04823	0.8
151.81795	0.6
161.02420	100.0
162.02774	3.1
170.18832	0.6
179.03467	6.2
207.60974	0.6
251.05624	0.8
315.10876	1.8
461.16507	5.8
623.19702	77.1
624.20032	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	659.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21520	0.6
59.01377	3.9
71.01364	5.6
78.12618	0.5
85.02943	4.8
89.02425	1.8
95.01373	2.1
110.01803	0.6
111.50047	0.6
113.02441	12.3
117.03444	0.8
120.43360	0.5
121.02979	0.5
121.90723	0.5
123.04536	0.8
132.02150	1.9
133.02940	33.4
134.03300	0.9
135.04510	14.2
136.04836	0.6
153.05547	1.0
161.02420	100.0
162.02736	4.2
179.03484	2.4
233.42436	0.5
315.10812	1.0
442.94479	0.6
461.16647	4.1
558.15070	0.6
623.19720	68.2
624.20026	10.4
669.21887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.5
61.98828	1.5
71.01373	9.3
72.99258	0.8
73.02954	0.9
73.51344	0.7
79.98766	0.7
83.01385	0.8
85.02953	7.7
89.02441	3.4
93.03411	0.9
95.01385	3.4
95.05000	1.4
96.95995	1.5
101.02436	2.8
107.05058	1.1
108.02194	1.5
109.02992	1.4
113.02433	17.8
117.03500	1.0
119.03500	1.2
122.03753	1.1
123.04524	4.9
125.02373	0.9
132.02179	1.9
133.02942	31.2
134.03671	3.3
135.04512	44.7
136.04831	2.4
137.06071	3.5
137.09677	1.3
145.02982	0.9
149.06056	1.5
150.03235	1.2
151.03905	1.4
152.01178	2.2
152.04753	1.7
153.05566	7.8
155.10751	2.4
161.02425	89.6
162.02763	3.0
165.05508	1.2
167.03479	3.5
167.07112	1.4
175.04050	1.4
177.05486	1.0
179.03468	14.6
179.05740	1.0
181.05003	3.4
183.06619	1.3
193.05002	1.9
194.95914	0.9
199.09749	1.0
221.04565	1.4
241.07018	0.9
245.64986	0.9
315.10913	2.3
346.44571	0.9
356.35016	0.9
461.16660	3.5
467.05472	0.8
497.20178	3.1
511.21817	2.8
623.19708	100.0
624.20142	15.2
659.26208	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	659.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.3
61.92667	0.8
65.58152	0.7
69.68818	4.8
71.01375	5.8
85.02941	4.9
89.02481	1.4
95.01375	3.0
101.02447	0.9
113.02430	12.7
116.53163	0.7
117.03457	1.0
132.02119	1.3
133.02940	34.6
135.03587	1.5
135.04509	15.3
136.04773	1.3
161.02425	100.0
162.02744	4.0
179.03520	2.6
225.29951	0.8
315.10767	1.0
344.98795	0.9
446.15909	0.8
461.16791	4.4
583.96100	0.9
623.19739	72.2
624.19965	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	659.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73069	0.7
52.35527	0.7
59.01373	0.8
61.98810	2.7
71.01385	3.9
71.61816	1.2
73.02917	1.8
78.69880	0.7
78.98586	4.5
79.95732	7.6
80.96507	46.1
84.10823	0.7
85.02919	1.9
87.00858	1.8
87.26305	0.8
88.10947	0.8
94.98074	9.7
96.96022	1.1
101.02407	1.5
103.74644	0.8
106.79115	0.8
106.98058	2.3
113.02370	1.1
119.85772	0.7
122.97562	2.9
125.02411	2.3
134.97542	3.3
145.05060	0.9
148.99118	4.3
152.98642	4.7
161.02409	1.2
162.95490	1.0
164.98619	7.9
182.99670	1.6
206.99644	2.4
215.31387	0.8
225.00696	15.8
243.01770	1.6
277.21625	2.8
282.08969	1.0
299.04388	6.3
301.92776	0.7
381.03412	1.5
466.15231	1.0
491.13239	0.8
509.16843	4.3
510.17441	1.2
523.13843	1.4
524.19507	0.9
528.14441	0.9
536.15985	1.0
541.15826	1.8
551.17633	2.8
554.17328	1.6
555.17279	11.9
556.18109	1.7
568.17920	1.4
569.19159	0.8
577.26758	100.0
578.27051	15.4
583.20282	2.2
599.23682	1.1
659.22052	59.3
660.22101	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	659.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09721	0.8
59.01374	10.3
61.98810	4.4
69.62108	5.6
71.01389	4.4
73.02937	0.8
78.95901	0.9
80.05044	6.4
85.02952	2.0
88.98826	1.0
89.02425	2.7
94.06620	1.8
96.96004	11.3
99.00896	0.9
99.04505	1.9
101.02443	2.6
103.98241	0.8
104.05061	2.3
106.06611	2.6
107.03780	3.7
107.05013	1.5
108.04541	3.3
113.02432	2.7
119.05007	1.6
119.81464	0.8
120.04563	1.2
121.06580	1.7
122.06116	20.1
130.06624	1.6
132.04555	2.3
133.02917	2.6
134.06113	8.8
135.04495	2.4
136.07686	2.4
139.02754	1.3
146.06088	2.5
148.04002	1.6
150.05620	1.1
152.07159	46.8
153.07513	2.2
159.11794	2.6
160.04050	1.9
161.02440	8.2
161.13341	1.8
174.05576	2.3
179.03494	1.2
180.06651	7.5
188.07159	16.6
199.02078	0.9
203.10730	2.7
205.12303	3.8
211.08670	3.7
216.26425	0.8
225.10291	3.6
227.11864	5.0
237.10258	1.7
238.07521	2.6
239.11829	2.1
245.12943	4.6
247.09624	6.6
249.06668	1.4
249.11220	4.9
251.08246	1.7
251.11824	3.0
252.09009	2.3
253.09802	8.0
253.19647	2.2
254.10342	0.9
264.08859	2.1
265.09839	3.8
267.11441	5.2
277.09732	2.0
278.10486	0.8
279.07687	3.0
279.11365	3.6
281.09232	1.0
285.12344	1.1
292.08542	1.4
293.09277	3.2
294.10056	4.2
295.10831	32.7
296.11197	2.8
307.10846	15.5
308.11264	1.3
321.08795	1.1
321.25800	3.2
322.26224	0.9
323.10275	3.0
325.11877	1.4
339.09689	1.9
347.23648	5.1
365.24799	5.4
390.17792	0.9
391.22668	2.5
392.19354	1.0
409.23663	7.1
418.17627	1.4
432.19720	1.9
435.21548	3.0
442.17593	1.2
453.22604	7.4
454.23322	0.9
458.17178	1.1
460.18710	37.1
461.19095	5.0
463.17453	0.9
476.18063	2.8
479.20523	1.7
497.21667	9.9
498.22253	1.5
504.17722	100.0
505.17993	15.6
536.20337	67.8
537.20648	11.6
609.23175	1.7
623.19800	3.9
627.24200	1.5
641.25641	1.0
659.27393	6.4
660.27209	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	659.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97127	3.9
59.01369	5.4
61.98824	33.5
71.01355	4.5
72.96986	3.6
74.81738	3.1
78.95891	40.8
78.98569	4.5
79.95734	10.4
80.96505	54.6
94.98062	9.4
96.96982	4.1
98.20671	4.8
101.02463	3.6
122.97543	6.7
125.02393	4.5
148.99086	5.0
151.03934	5.7
152.98557	3.2
152.99626	25.4
161.02402	10.7
164.98613	10.5
171.00583	14.3
187.45123	3.5
198.91347	3.5
206.99580	4.6
225.00659	14.3
277.21887	4.2
299.04462	5.4
431.21683	4.9
577.26776	100.0
578.26752	14.6
623.20032	6.4
623.34009	9.4
659.32397	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	659.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	16.1
61.98827	47.1
69.92833	42.8
71.01382	15.0
78.95899	100.0
78.98562	8.6
80.96505	43.7
82.96740	10.7
94.98062	10.0
98.20538	12.4
104.13442	9.9
133.02893	21.8
133.65459	10.5
135.04483	12.9
138.21123	9.0
151.03966	17.0
152.99579	55.2
161.02397	42.4
171.00606	31.5
179.03419	11.6
277.21661	12.1
471.34488	17.2
485.32764	24.7
577.27020	72.9
623.19226	14.9
623.34430	34.2
624.34485	10.8
659.33569	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.10787	5.7
61.98828	33.8
65.90902	6.2
69.52206	15.5
69.52629	32.7
80.05785	7.1
93.62929	5.7
95.32912	5.9
124.03012	5.5
161.02408	10.4
250.96622	6.3
255.23354	10.5
314.52701	8.0
343.17294	7.0
358.07416	7.0
623.41852	14.4
659.39581	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55069	0.2
59.01371	4.3
61.98821	100.0
67.01877	0.4
68.99812	0.5
69.26730	1.6
69.27139	0.7
71.01371	1.8
85.02948	0.7
89.02436	2.6
91.01270	0.2
92.32274	0.2
92.37593	0.2
93.03455	1.2
95.01385	0.5
98.20639	0.4
101.02442	1.8
107.04993	0.3
110.54868	0.2
111.00870	2.9
111.04488	1.3
113.02430	1.5
119.03494	1.1
119.05020	0.3
127.03970	1.1
135.04535	0.6
135.50748	0.2
137.02463	1.0
139.00375	1.6
143.03506	0.3
153.05571	0.9
161.04517	0.3
163.04007	1.0
165.01910	0.5
179.03513	0.6
179.05618	0.7
195.06628	1.9
199.85638	0.2
207.03040	0.4
239.05583	0.4
273.07648	2.1
275.05530	1.3
291.08682	0.3
306.00851	0.2
307.08191	10.4
308.08636	0.8
315.08679	3.2
315.12006	0.2
316.08954	0.4
333.09656	1.8
343.08252	0.5
357.09918	0.3
375.10782	1.5
376.11261	0.3
403.10434	0.3
435.12891	3.8
436.12930	0.5
584.29187	0.2
597.18097	5.8
598.18530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.2
61.98825	11.7
70.85162	0.7
71.01373	6.4
72.72913	0.6
73.02952	2.0
78.95895	16.2
82.95413	2.6
83.01386	0.8
85.02952	2.7
88.03993	0.7
89.02440	6.2
91.05524	0.8
96.95998	5.3
96.96939	2.6
99.00877	2.4
101.02438	4.1
105.03474	0.7
107.05016	1.7
109.02950	0.8
111.00871	0.9
113.02441	3.1
117.03452	1.9
119.03489	1.1
119.05043	1.9
123.04539	1.2
125.02453	0.9
127.05491	0.9
132.02194	0.9
133.02951	18.5
134.03741	8.4
135.04512	100.0
136.04819	3.7
136.22920	0.8
137.02483	0.9
137.06085	0.9
141.06711	1.0
143.05070	0.8
149.04535	0.8
153.01938	0.7
161.02431	56.6
162.02788	3.6
163.04001	2.4
173.06059	2.5
179.03477	59.1
180.03796	2.9
182.97330	0.7
193.05035	1.9
195.06631	1.1
210.36433	0.8
213.08704	1.3
217.05031	1.1
240.43939	0.7
241.01163	6.9
247.06056	4.6
251.05568	1.6
311.07727	2.4
353.08673	4.9
383.09695	4.8
413.10638	6.4
473.12839	1.7
479.21637	2.3
552.37177	0.7
599.23566	0.9
623.23035	1.5
625.24921	83.2
626.25256	13.1
661.15314	3.6
661.25958	3.1
662.24774	3.1
683.17749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.4
61.98823	25.9
65.30421	0.8
69.03425	0.8
69.86992	0.7
70.90099	1.5
71.01363	6.6
72.99306	1.0
73.02939	1.2
85.02945	1.7
88.98810	0.8
89.02436	5.3
91.05527	0.9
93.03465	2.3
96.95992	10.1
99.00875	2.1
101.02454	2.8
107.05022	1.5
111.00828	0.9
113.02438	3.2
117.03454	2.3
119.03510	1.0
120.99625	1.3
121.02959	0.9
125.02407	0.7
132.02141	1.2
133.02930	18.7
134.03758	8.7
134.87231	0.7
135.04512	100.0
136.04855	4.3
137.02483	0.9
149.04495	0.9
150.03305	0.7
153.09204	2.6
161.02423	52.3
162.02736	2.5
163.04010	2.2
165.05556	1.4
169.41248	0.7
179.03473	60.7
180.03862	2.6
181.05042	1.2
185.11798	2.6
185.43117	0.7
193.04941	0.8
195.06609	1.4
231.55148	0.6
254.27565	0.8
285.04007	1.2
286.04568	0.8
308.08447	0.7
580.18494	0.8
580.69745	1.2
623.21881	1.1
625.24915	97.3
626.15802	1.3
626.25275	16.0
630.84723	0.9
661.30573	2.3
662.27484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66306	0.3
56.09508	0.3
56.86553	0.3
58.00585	0.3
59.01372	9.2
59.06342	0.3
60.01702	0.3
63.69683	0.3
64.31110	0.3
67.06841	0.4
68.99825	0.3
69.42155	0.9
69.42556	2.3
71.01373	5.7
78.95891	0.8
83.89457	0.4
85.02933	0.9
87.00861	2.5
89.02435	6.1
93.03449	0.6
95.01407	0.8
95.05003	0.6
99.00871	0.3
101.02445	3.2
105.03460	1.3
107.05066	0.4
108.02164	0.9
109.02940	2.0
113.02433	2.5
116.64754	0.3
119.03496	1.5
121.02957	0.9
122.03761	2.1
122.04481	0.4
123.04506	28.8
124.04836	1.2
133.02924	0.6
135.04507	7.3
137.02377	0.4
149.02438	3.9
150.03203	32.4
151.03983	100.0
152.04320	4.0
153.05569	1.9
154.05830	0.4
161.04523	0.6
173.05807	0.3
179.05591	2.6
182.05147	0.4
183.03488	0.4
185.02217	0.4
193.04973	0.5
199.57851	0.4
270.53592	0.4
296.11685	0.4
313.09225	63.6
314.09579	5.6
315.10797	19.8
316.11151	1.4
345.11859	3.6
346.12228	0.6
432.96539	0.4
557.44177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44239	1.1
59.01376	67.4
61.98830	6.0
66.03487	1.6
69.03457	6.9
70.02975	5.6
71.01370	6.1
71.62984	1.6
73.02932	2.0
81.39123	1.2
82.02953	3.3
82.06587	1.3
83.01389	1.6
83.05000	2.0
84.04539	5.7
85.02946	7.0
87.00852	1.2
87.69338	1.0
88.61163	1.0
89.02405	2.8
93.03436	2.6
95.01395	2.0
96.08146	1.8
96.95979	3.5
97.06568	2.1
99.00874	1.4
100.04031	1.9
101.02441	5.5
102.05582	9.1
107.05025	1.9
111.00836	2.3
113.02402	4.9
113.06084	1.4
114.92619	1.1
115.00355	1.3
119.03435	1.2
119.04977	4.7
121.02901	4.5
122.02431	1.8
122.06149	1.4
123.04471	4.2
125.02370	1.3
127.04002	6.6
128.03532	100.0
129.01918	2.0
129.03882	2.4
130.08731	20.7
133.02933	1.5
134.03796	2.2
134.06068	1.8
135.04469	5.0
136.03983	1.1
136.11253	3.4
137.02405	2.2
137.04890	1.2
137.06024	5.2
138.05536	2.0
138.09251	1.5
139.07724	1.9
139.08717	5.9
143.03333	1.1
146.04588	10.2
146.05612	1.5
146.06122	1.1
149.06044	2.4
151.04034	1.4
151.79811	1.2
152.07207	1.1
153.05498	1.9
153.06628	1.6
154.12376	2.5
155.03482	1.2
155.08287	1.5
156.06631	7.9
161.02402	4.1
162.05533	2.4
163.03955	3.5
165.05553	6.2
165.10265	1.7
170.08260	1.7
172.02502	6.6
173.04659	1.6
177.05516	1.3
178.05049	4.9
178.08679	1.8
179.03441	2.8
179.05719	1.9
179.07120	23.1
180.07491	1.3
180.10258	12.5
189.10300	1.2
190.12213	1.5
193.05089	2.5
194.08185	2.0
197.12926	1.6
198.11249	2.7
206.11792	4.4
213.14862	3.1
215.13821	1.3
219.11372	1.6
220.09630	1.9
224.09259	3.0
241.11810	3.8
242.10287	16.7
246.07759	2.2
248.12784	3.7
249.12383	11.3
259.12885	4.5
261.12317	2.9
269.11322	3.5
273.12399	1.5
281.57211	1.2
290.06509	3.2
306.09729	1.5
311.01862	1.1
317.15045	1.8
371.14993	1.5
403.14957	5.1
421.30988	2.5
432.72806	1.2
481.17920	1.4
487.34247	8.8
488.34622	1.4
529.15472	1.3
532.21844	7.7
533.33221	2.0
583.56189	1.2
601.24316	2.3
617.38861	2.8
623.35999	1.3
625.37903	3.8
643.24982	16.0
643.35028	2.0
644.25653	2.6
661.25897	62.3
661.37659	8.1
662.26355	11.9
662.38403	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	661.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44239	1.1
59.01376	67.4
61.98830	6.0
66.03487	1.6
69.03457	6.9
70.02975	5.6
71.01370	6.1
71.62984	1.6
73.02932	2.0
81.39123	1.2
82.02953	3.3
82.06587	1.3
83.01389	1.6
83.05000	2.0
84.04539	5.7
85.02946	7.0
87.00852	1.2
87.69338	1.0
88.61163	1.0
89.02405	2.8
93.03436	2.6
95.01395	2.0
96.08146	1.8
96.95979	3.5
97.06568	2.1
99.00874	1.4
100.04031	1.9
101.02441	5.5
102.05582	9.1
107.05025	1.9
111.00836	2.3
113.02402	4.9
113.06084	1.4
114.92619	1.1
115.00355	1.3
119.03435	1.2
119.04977	4.7
121.02901	4.5
122.02431	1.8
122.06149	1.4
123.04471	4.2
125.02370	1.3
127.04002	6.6
128.03532	100.0
129.01918	2.0
129.03882	2.4
130.08731	20.7
133.02933	1.5
134.03796	2.2
134.06068	1.8
135.04469	5.0
136.03983	1.1
136.11253	3.4
137.02405	2.2
137.04890	1.2
137.06024	5.2
138.05536	2.0
138.09251	1.5
139.07724	1.9
139.08717	5.9
143.03333	1.1
146.04588	10.2
146.05612	1.5
146.06122	1.1
149.06044	2.4
151.04034	1.4
151.79811	1.2
152.07207	1.1
153.05498	1.9
153.06628	1.6
154.12376	2.5
155.03482	1.2
155.08287	1.5
156.06631	7.9
161.02402	4.1
162.05533	2.4
163.03955	3.5
165.05553	6.2
165.10265	1.7
170.08260	1.7
172.02502	6.6
173.04659	1.6
177.05516	1.3
178.05049	4.9
178.08679	1.8
179.03441	2.8
179.05719	1.9
179.07120	23.1
180.07491	1.3
180.10258	12.5
189.10300	1.2
190.12213	1.5
193.05089	2.5
194.08185	2.0
197.12926	1.6
198.11249	2.7
206.11792	4.4
213.14862	3.1
215.13821	1.3
219.11372	1.6
220.09630	1.9
224.09259	3.0
241.11810	3.8
242.10287	16.7
246.07759	2.2
248.12784	3.7
249.12383	11.3
259.12885	4.5
261.12317	2.9
269.11322	3.5
273.12399	1.5
281.57211	1.2
290.06509	3.2
306.09729	1.5
311.01862	1.1
317.15045	1.8
371.14993	1.5
403.14957	5.1
421.30988	2.5
432.72806	1.2
481.17920	1.4
487.34247	8.8
488.34622	1.4
529.15472	1.3
532.21844	7.7
533.33221	2.0
583.56189	1.2
601.24316	2.3
617.38861	2.8
623.35999	1.3
625.37903	3.8
643.24982	16.0
643.35028	2.0
644.25653	2.6
661.25897	62.3
661.37659	8.1
662.26355	11.9
662.38403	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	661.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83031	0.4
59.01373	39.8
61.98825	3.4
66.03465	1.8
71.01362	0.7
80.05072	0.5
81.24707	0.5
82.06613	5.1
84.08166	3.3
93.03441	1.6
95.05003	2.3
96.95991	1.7
97.06578	25.1
98.19832	1.0
101.02466	0.7
106.06595	0.5
107.04996	1.3
113.06091	3.3
113.58041	0.4
114.09229	0.6
117.03459	0.8
120.04509	1.4
121.02876	0.7
122.02487	0.9
123.04480	1.9
124.03999	0.7
125.06023	0.5
128.07114	1.1
129.10265	0.7
130.08727	10.9
131.03743	2.6
134.03732	8.2
134.06078	0.5
135.04445	1.9
137.02420	0.9
138.05583	1.7
139.08722	1.2
147.04521	0.5
149.06148	2.4
149.07156	0.7
150.05579	1.1
152.03488	0.8
153.05544	0.8
154.05086	0.6
156.06636	20.5
160.01634	1.2
160.04082	0.5
161.02254	0.7
161.04758	0.5
162.05598	3.0
163.03938	0.9
164.07129	2.0
165.04292	0.6
165.05534	4.0
165.10287	0.5
166.05017	1.3
166.08691	0.5
167.07085	0.7
169.09277	0.5
174.09227	1.3
174.12735	0.6
175.03954	1.0
176.07077	1.3
176.10802	1.2
178.05042	3.6
179.03525	0.6
180.10263	1.2
182.15472	5.4
189.10284	0.8
190.08644	0.6
190.12329	1.2
191.15396	0.6
192.06706	0.7
193.05035	10.2
194.05428	1.3
194.08153	0.8
195.06618	6.2
196.09850	0.8
197.16496	1.6
199.18082	2.4
201.06613	1.4
205.06079	0.5
206.04564	1.7
206.11760	1.3
209.16498	1.9
214.12422	0.8
216.10277	0.8
217.06171	0.9
217.09692	0.7
221.04660	0.5
221.12924	1.5
225.16005	1.7
226.14397	0.7
229.09711	1.0
230.11934	0.6
231.11287	1.5
232.13512	1.0
234.11404	1.1
241.15508	1.0
243.17090	8.0
244.12126	1.7
245.12769	0.6
247.10829	0.9
248.12938	5.2
249.12373	3.9
253.15532	4.1
258.11200	0.8
261.12399	2.3
263.12955	0.6
272.11758	0.6
273.12384	0.8
274.10718	0.7
277.11795	0.5
287.17743	1.1
290.13956	1.3
291.13406	2.2
301.19223	1.2
303.20673	1.1
319.20166	2.4
327.20865	0.6
329.18686	1.3
331.20273	1.7
345.18146	0.6
361.21445	0.9
363.19211	4.1
405.20251	2.5
421.23315	0.5
455.18195	0.7
465.22339	9.2
466.22824	1.0
470.18158	0.6
481.25629	0.5
507.23404	1.1
525.24445	5.4
526.25098	0.6
530.20569	2.2
559.26526	1.3
601.27429	15.4
602.27844	2.9
623.27301	3.2
624.27448	0.6
625.27313	0.7
625.37451	0.6
629.27301	0.7
641.01056	0.5
661.29626	100.0
662.30029	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	661.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	52.3
61.98828	5.2
63.88094	0.6
66.03490	1.6
67.01877	0.7
68.05034	0.9
69.26274	6.9
71.01364	1.5
81.03434	1.2
81.72780	0.6
82.06612	4.0
84.08182	4.5
85.02927	0.8
93.03422	2.8
95.02497	1.0
96.96010	4.8
97.06583	25.7
100.70566	0.7
101.02422	1.7
107.05009	1.8
113.02442	0.6
113.06057	2.6
120.04544	1.3
121.02950	0.7
123.03206	0.7
123.04479	3.0
123.75301	0.6
124.04059	1.7
125.06045	1.1
129.10292	0.7
130.08728	10.0
130.54707	0.6
134.03732	1.8
135.04495	2.4
137.02455	1.5
137.06042	0.8
138.05577	1.3
139.08754	1.7
145.05318	1.8
149.06033	1.3
150.05547	0.9
152.07100	1.2
156.06650	14.9
161.02362	1.3
161.04753	0.9
162.05566	1.6
164.03455	0.9
164.07118	1.6
165.05545	4.8
167.07175	0.9
174.05573	0.7
174.09177	2.1
176.10773	1.5
178.05052	3.2
179.03377	1.5
180.10226	1.3
182.15553	3.2
193.05017	1.6
195.06639	8.6
196.09720	1.0
199.18127	1.9
201.10323	0.9
206.04594	0.8
206.11769	1.8
209.16548	3.2
213.14857	1.0
221.12939	2.2
225.16005	1.9
231.11371	1.5
232.13426	0.8
243.17085	5.8
244.12172	1.1
247.10786	1.1
248.12907	7.4
249.12411	3.1
253.15515	5.4
261.12436	3.1
277.11655	1.0
287.17572	1.9
291.13586	1.5
301.19150	1.6
319.20020	2.2
329.09915	0.8
329.18796	1.0
331.20184	1.8
361.21295	1.1
363.19067	2.5
405.20151	2.1
421.23511	0.9
465.22284	8.9
466.22598	1.0
470.17670	1.0
481.25815	0.8
507.23340	1.0
525.24512	4.6
530.20056	4.0
601.27509	13.7
602.28210	3.2
619.28821	0.9
625.37970	9.8
626.38721	1.6
661.29584	100.0
662.29822	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	661.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	38.7
61.98825	7.9
71.01373	1.4
71.61843	1.5
76.56789	0.9
81.97084	0.8
83.05000	3.4
85.58533	0.8
87.99309	0.9
89.02460	0.9
93.03424	1.1
96.95998	26.9
97.06561	1.2
98.07083	1.0
98.95580	1.5
99.41007	1.0
99.92483	1.1
101.02429	0.9
106.06618	1.0
107.04996	2.3
109.32103	0.9
119.04936	0.9
123.04485	1.7
130.08704	11.2
133.02887	1.8
134.03740	5.8
135.04457	4.0
146.06073	0.9
147.04486	2.2
148.03926	1.0
149.06056	3.7
156.06609	1.7
160.01637	1.4
160.03998	1.0
161.02391	1.7
161.04752	2.1
162.05545	3.4
174.05490	1.3
175.03957	2.2
176.07121	3.4
177.13983	1.1
178.05017	1.7
179.03426	1.4
179.07172	1.0
185.16554	3.2
193.05063	7.6
195.06500	2.9
195.14963	2.8
200.10767	1.0
202.05177	1.0
205.60175	0.9
206.04678	1.0
206.08154	3.1
211.14528	1.5
217.96669	1.5
220.06122	1.6
227.13841	0.9
229.15555	2.4
232.13362	2.8
233.12915	0.9
239.13985	2.3
248.12805	1.8
258.11349	1.6
285.19312	1.0
303.20840	1.7
313.19174	1.8
421.23438	1.2
514.07892	1.4
525.24567	5.8
526.24719	1.0
527.25171	1.4
530.20203	5.8
629.26300	1.8
661.29602	100.0
662.29938	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	661.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18621	1.0
59.01372	41.3
61.14656	0.9
61.98825	7.1
70.03447	3.3
71.01357	2.8
73.02942	0.9
73.21236	1.0
74.38302	0.8
75.60787	0.9
85.02936	1.5
89.02459	0.9
96.95969	2.6
97.06588	1.3
98.20486	1.3
101.02428	2.2
102.86884	0.9
107.05064	1.3
113.02438	1.6
116.06443	1.3
116.07159	13.4
119.04987	2.2
130.08736	1.1
134.03691	4.6
134.06081	1.1
135.04512	5.3
142.05083	2.9
147.04506	13.2
149.06029	3.7
152.03462	2.3
160.01549	1.0
161.02502	4.6
161.04755	2.2
162.05551	3.5
170.15460	1.6
174.05553	2.2
175.03973	1.9
176.07106	4.3
178.05054	1.8
179.03514	1.5
183.14992	2.3
185.16640	1.9
191.05695	1.1
193.05098	6.9
195.06534	2.8
195.14984	1.9
206.04498	2.0
206.08173	1.8
211.14478	1.5
214.12347	2.1
220.06096	2.1
229.15456	2.7
239.13991	1.5
246.15002	1.8
272.12848	1.0
274.14334	1.2
313.19290	2.2
398.25311	0.9
407.47849	0.9
421.23145	1.2
444.68277	1.3
525.24530	5.6
544.21796	4.7
623.19824	1.3
623.39746	2.0
629.26953	2.2
661.29474	100.0
662.29803	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	661.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18621	1.0
59.01372	41.3
61.14656	0.9
61.98825	7.1
70.03447	3.3
71.01357	2.8
73.02942	0.9
73.21236	1.0
74.38302	0.8
75.60787	0.9
85.02936	1.5
89.02459	0.9
96.95969	2.6
97.06588	1.3
98.20486	1.3
101.02428	2.2
102.86884	0.9
107.05064	1.3
113.02438	1.6
116.06443	1.3
116.07159	13.4
119.04987	2.2
130.08736	1.1
134.03691	4.6
134.06081	1.1
135.04512	5.3
142.05083	2.9
147.04506	13.2
149.06029	3.7
152.03462	2.3
160.01549	1.0
161.02502	4.6
161.04755	2.2
162.05551	3.5
170.15460	1.6
174.05553	2.2
175.03973	1.9
176.07106	4.3
178.05054	1.8
179.03514	1.5
183.14992	2.3
185.16640	1.9
191.05695	1.1
193.05098	6.9
195.06534	2.8
195.14984	1.9
206.04498	2.0
206.08173	1.8
211.14478	1.5
214.12347	2.1
220.06096	2.1
229.15456	2.7
239.13991	1.5
246.15002	1.8
272.12848	1.0
274.14334	1.2
313.19290	2.2
398.25311	0.9
407.47849	0.9
421.23145	1.2
444.68277	1.3
525.24530	5.6
544.21796	4.7
623.19824	1.3
623.39746	2.0
629.26953	2.2
661.29474	100.0
662.29803	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	661.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	2.6
59.01373	51.9
61.98822	5.8
67.39143	1.0
68.66418	1.0
70.02689	5.2
71.01373	47.3
72.08833	1.1
72.99303	2.8
73.02939	3.3
78.95917	1.5
80.96507	6.2
81.03452	1.2
83.01376	3.1
85.02937	7.4
86.08902	1.0
87.00859	11.4
89.02435	53.0
94.98062	1.3
95.01378	2.5
96.96004	1.8
99.00837	1.5
101.02424	24.9
113.02431	23.5
119.03494	21.9
126.66203	1.1
131.03477	2.6
141.01955	1.5
142.11931	1.1
143.03487	9.2
145.02927	1.3
149.04506	1.7
161.02458	2.2
161.04524	10.1
175.03909	1.3
179.05576	22.6
225.00671	2.0
277.21674	100.0
277.45892	1.2
278.22021	8.1
291.23260	4.2
301.21393	1.2
319.22678	3.6
323.09781	31.0
338.49802	1.2
341.10825	66.9
342.11194	4.3
349.23782	1.4
577.27039	8.3
579.26593	4.0
601.32184	17.9
602.32434	2.9
664.81042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.1009
Annotation	beta-Nicotinamide adenine dinucleotide
Peak:m/z	Relative Intensity
62.96401	1.6
70.17444	1.2
70.17833	1.3
78.95895	100.0
79.49063	0.5
89.30564	0.5
96.96947	11.4
98.20580	0.9
103.17739	0.6
106.55875	0.5
107.03683	0.6
134.04724	22.7
137.53419	0.5
146.98483	0.9
158.92516	34.0
174.97986	4.2
179.11758	0.5
192.99046	1.5
211.00133	2.3
263.10657	0.7
272.95670	13.7
328.04456	8.3
346.05496	6.1
346.41266	0.6
408.01044	5.5
426.02219	6.8
540.05310	62.6
541.05383	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	662.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45953	0.2
53.44975	0.2
57.03430	0.5
59.01374	5.7
59.56010	0.3
61.98824	1.0
71.01373	4.7
71.61417	0.4
72.99312	0.3
77.03979	0.3
83.22000	0.2
85.02938	4.6
89.02436	1.8
95.01367	1.7
96.95989	0.8
98.95554	0.3
101.02445	0.9
105.03454	1.2
113.02441	8.2
117.03468	1.8
119.03482	0.6
123.04494	0.4
130.86168	0.3
132.02170	2.0
132.02995	0.3
133.02943	34.8
134.03174	1.2
135.04518	5.8
136.04855	0.3
137.02408	0.4
143.03464	0.4
161.02425	100.0
162.02765	3.8
179.03429	2.4
193.04968	0.3
283.79126	0.3
336.08551	0.4
402.37766	0.3
409.68927	0.3
479.96194	0.3
500.17242	0.3
626.24646	0.6
662.20789	37.0
663.21045	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	663.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84486	0.1
62.03498	0.1
75.71581	0.1
78.95458	0.2
78.95895	3.6
79.95733	3.1
82.53173	0.1
93.03448	0.4
96.96000	100.0
96.96886	5.0
97.95950	0.3
99.61502	0.1
102.21402	0.1
114.98808	0.1
163.03967	0.1
173.04549	1.1
174.04858	0.1
191.05597	0.5
205.65675	0.1
278.15808	0.1
290.76569	0.1
337.09067	0.6
339.24652	0.1
394.86127	0.1
403.48706	0.1
505.61554	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	663.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
58.82813	0.3
59.01361	0.8
60.99288	1.0
63.78997	0.3
67.01884	3.3
69.03436	0.7
71.01372	1.4
71.06615	0.5
81.03446	0.5
81.43687	0.3
83.05000	0.6
85.02937	3.6
87.00871	4.8
93.03445	22.3
94.03780	0.7
99.00865	0.6
99.04515	0.4
102.79499	0.3
106.80673	0.3
109.02953	0.9
111.04504	3.6
119.05009	6.4
127.03982	1.1
129.01929	0.6
137.02422	0.9
145.02939	1.6
155.03468	1.3
163.03979	8.2
164.04288	0.5
173.04518	19.6
174.04836	0.5
191.05579	100.0
192.05902	4.1
337.09232	35.9
338.09552	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85481	0.9
59.01373	58.6
61.13234	1.0
61.98816	2.2
71.01363	2.1
71.61952	1.7
72.00874	1.2
72.01736	0.9
74.02462	8.7
82.02920	1.3
82.06574	1.4
89.02393	1.2
96.95974	3.1
97.06560	2.0
100.00376	3.6
101.02430	2.5
107.04997	2.3
107.27511	0.9
109.02925	1.0
111.00823	1.8
117.03401	1.8
118.05110	1.7
118.06511	0.9
119.04974	1.8
123.04495	2.3
127.58092	1.0
130.08717	4.6
130.56250	0.9
131.05026	0.9
133.02902	1.9
134.03706	2.2
134.06096	1.0
135.04517	8.4
143.11829	4.2
146.06163	1.0
147.04491	1.1
149.06027	4.7
153.05318	0.9
153.10309	6.7
156.06581	1.5
156.23376	1.2
158.06075	1.6
160.04095	1.2
160.07613	1.0
161.02376	3.8
161.04709	2.1
162.05630	2.6
163.03969	1.6
163.76955	1.3
169.09856	1.2
173.07187	1.2
174.05551	3.0
176.07173	5.4
178.05020	2.7
179.03476	5.7
179.07155	2.3
183.13733	1.1
187.10892	2.3
192.06570	1.4
193.05000	1.6
194.11729	1.4
195.06566	3.6
197.09276	3.5
201.56886	1.0
206.04509	2.3
206.08090	3.8
214.12292	3.1
216.06590	2.3
218.04590	1.8
228.09047	1.4
234.07603	1.4
243.15053	1.9
246.14870	3.9
248.12985	2.1
258.11264	1.9
261.16132	3.3
271.14435	7.1
272.12625	1.4
274.10571	1.5
287.14035	1.6
303.17120	2.6
305.14929	1.4
315.13385	1.4
347.16122	1.8
365.16940	1.3
405.20181	2.3
463.26935	1.3
465.22101	2.1
483.19241	5.2
488.15430	1.2
544.21649	2.9
545.22333	1.0
562.22424	4.5
580.41791	1.2
587.21924	2.7
619.24976	100.0
620.25421	16.8
645.26642	8.3
663.27405	56.4
663.35864	2.5
664.27948	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	663.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.3
59.01372	43.1
61.98544	2.1
61.98823	17.5
64.01905	1.4
69.25784	7.7
69.26218	7.5
71.01373	29.1
72.99310	1.5
73.02942	4.7
83.01376	2.5
85.02938	19.2
87.00841	2.8
89.02431	19.5
96.95988	4.9
97.02915	2.0
99.00832	3.0
99.04523	1.6
101.02425	37.9
113.02416	12.1
119.03465	4.9
121.02937	2.1
127.03950	1.8
131.03459	5.9
133.02928	2.2
143.03511	2.0
145.02907	1.8
145.05025	9.9
154.28687	1.5
160.01633	4.4
161.02370	1.9
161.04532	9.7
163.06107	43.8
164.06494	1.8
175.03966	6.7
179.94318	1.9
193.05162	1.8
205.07137	15.3
277.21667	21.4
278.22107	2.3
292.67297	1.7
325.11337	100.0
326.11719	6.0
343.12415	2.0
469.69260	1.8
578.27136	2.3
663.38477	12.8
664.39136	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3743
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
53.46465	0.4
55.01859	0.8
55.30442	0.4
57.03439	3.2
59.01142	0.3
59.01372	4.2
61.49147	0.3
61.98810	1.5
67.01884	0.4
68.52129	0.3
69.73414	0.7
69.73821	1.5
70.62376	0.4
71.01373	7.1
72.99298	2.6
73.02936	0.6
75.00862	16.7
80.79160	0.4
83.01365	0.8
85.02941	17.3
87.00873	2.8
89.02425	1.0
95.01359	1.5
96.95985	1.6
99.00851	2.8
101.02381	0.7
112.01633	0.7
113.02432	13.5
114.02728	0.5
115.00365	0.7
116.01129	0.7
117.01911	1.3
129.01901	1.0
134.64491	0.4
135.04526	0.6
136.87872	0.3
157.01357	1.0
161.02415	1.0
175.02434	0.8
179.03505	0.5
211.13332	0.6
361.93063	0.4
391.29907	0.3
393.31500	1.1
405.31415	0.7
437.30673	0.4
455.31445	0.7
485.32669	0.6
487.34583	1.7
663.37402	100.0
664.37787	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	663.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67374	0.3
52.88515	0.3
55.01863	1.2
57.03441	3.7
58.00578	0.6
59.01378	2.8
61.98816	1.9
62.57753	0.2
65.72085	0.3
67.01869	0.5
68.99792	0.7
70.65141	0.7
70.65478	0.3
71.01366	4.6
72.99295	1.8
73.02928	1.1
75.00861	13.5
76.41039	0.3
78.51306	0.2
78.95900	0.6
83.01371	1.0
84.02179	0.4
85.02939	21.1
86.40860	0.3
87.00847	2.1
89.02416	0.9
95.01386	2.0
96.95999	0.6
99.00867	2.3
101.02415	0.8
104.58718	0.3
112.01641	0.6
113.02434	14.3
115.00342	1.2
116.01126	1.4
117.01950	1.5
129.01884	0.4
133.02954	0.3
134.11525	0.3
156.06137	0.3
157.01373	0.9
161.02367	0.9
175.02446	0.6
189.12724	0.4
251.12875	0.3
298.11499	0.3
348.68005	0.3
393.31656	0.5
423.32849	1.7
425.34329	0.4
439.31821	0.3
441.33771	0.5
449.79504	0.3
455.31488	0.3
457.33578	0.3
463.20953	0.5
467.31552	0.7
469.33023	0.9
485.32584	0.5
487.34241	3.9
488.34576	0.4
501.30603	0.3
508.60675	0.3
569.37744	0.4
587.35101	0.3
663.37390	100.0
664.37756	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
57.03444	3.7
58.34372	0.3
59.01377	3.4
61.98823	2.7
67.01878	0.4
68.99823	0.3
70.93513	0.4
70.93826	0.6
71.01366	5.1
71.05013	0.8
72.99307	1.5
73.02933	0.9
75.00865	14.7
78.95895	0.4
80.35709	0.3
83.01375	0.7
84.02193	0.5
85.02943	21.7
86.03304	0.3
87.00871	2.0
89.02444	0.8
95.01389	1.6
96.96006	1.4
99.00874	3.0
101.02419	1.1
112.01639	0.6
113.02438	15.7
113.03235	0.8
114.02780	0.5
115.00362	0.8
116.01134	1.2
117.01930	0.7
118.25646	0.3
120.77811	0.3
129.01941	0.7
133.03018	0.5
135.04489	0.6
157.01405	1.2
161.02452	0.9
175.02441	1.0
179.03433	0.3
181.67410	0.3
189.12794	0.3
261.80106	0.3
269.04492	0.5
276.05688	0.3
328.84158	0.4
427.32501	0.5
443.35193	0.6
463.21365	0.5
467.31451	0.7
469.33344	2.7
487.34216	6.6
488.34720	0.7
571.31116	1.0
587.35950	1.3
663.37415	100.0
664.37799	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	663.3748
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01850	1.2
57.03450	2.5
59.01093	0.7
59.01373	7.6
61.98825	4.3
69.03442	0.6
70.07207	0.8
70.07619	1.4
71.01373	7.2
72.99293	1.8
73.02918	1.2
73.41246	0.4
73.96793	0.4
75.00868	11.1
82.08297	0.4
83.01381	1.0
85.02944	17.4
87.00858	3.2
88.42197	0.4
89.02451	2.1
91.67590	0.4
95.01368	2.2
96.95990	1.7
98.19855	0.5
99.00864	2.2
99.04535	0.5
101.02428	2.2
112.01658	0.6
113.02433	14.4
115.00343	1.7
116.01163	1.1
116.92825	0.8
117.01923	0.7
119.03407	0.5
124.90723	0.4
129.01898	0.9
135.04446	0.7
157.01360	1.2
161.02428	1.9
163.04036	0.5
175.02493	1.7
175.03915	0.5
179.03510	0.6
179.05490	0.5
187.11186	0.4
207.13821	0.6
248.26326	0.4
249.11264	0.6
251.12866	2.3
279.23282	0.8
283.13544	0.5
299.02249	0.5
409.27014	0.5
425.30579	1.6
437.30542	1.0
439.32071	1.0
455.31573	5.9
456.31863	0.7
459.29578	3.4
463.21179	0.5
467.31674	4.5
468.31644	0.5
469.33063	1.0
483.30832	0.5
485.32376	0.6
487.34238	9.0
488.34442	1.7
498.96725	0.4
501.30328	2.3
587.35876	0.7
619.30493	0.4
663.37421	100.0
664.37830	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78554	0.4
59.01366	1.7
61.98814	1.5
69.28448	0.7
69.28848	3.6
71.01369	1.6
75.00922	0.4
78.95928	0.5
85.02963	0.8
89.02430	0.7
94.92508	0.5
95.04979	0.6
96.96010	2.7
101.02430	0.9
105.03455	1.4
117.03438	1.9
119.04945	0.9
121.02967	1.5
124.07347	0.4
132.02135	4.2
133.02937	12.7
134.03726	18.4
135.04509	1.7
137.02435	1.3
145.02892	0.6
146.20445	0.4
149.06055	1.6
160.01633	26.6
161.02435	6.0
163.06067	1.7
175.03976	22.0
176.04291	1.1
177.01884	1.4
178.02652	2.1
179.03384	0.8
181.07289	0.5
193.05029	11.6
211.57085	0.5
247.08176	0.7
277.21744	0.9
325.11386	3.7
346.46027	0.6
385.19928	0.6
505.29440	2.7
519.31396	0.6
571.34607	0.6
586.36292	2.7
587.36835	0.7
589.35358	0.7
601.39185	5.1
602.39496	0.8
604.37567	2.2
619.40033	3.3
625.19220	0.6
645.37836	1.0
663.38934	100.0
664.39331	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89286	0.9
57.19214	0.8
57.20563	0.8
59.01371	11.3
61.98812	5.2
71.62218	1.0
73.32941	0.9
78.95857	1.1
79.33563	0.8
121.02975	1.2
132.02162	10.1
133.02945	8.1
134.03748	4.2
149.06081	1.2
160.01646	60.0
161.02225	2.7
175.03978	72.8
176.04306	3.2
177.01846	1.9
193.05070	4.1
279.84210	1.0
381.86572	0.9
392.43301	1.0
425.30249	1.0
455.31619	1.5
469.33026	2.4
471.34750	4.7
513.32843	1.0
578.26611	1.4
599.51410	0.9
603.42651	1.5
646.47821	1.1
648.35797	1.5
663.38879	100.0
664.39264	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	663.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43980	0.3
57.87359	0.3
61.97449	0.3
61.98816	1.1
66.42413	0.2
67.12646	0.4
68.87232	0.2
70.93506	0.5
75.00818	0.3
78.95895	0.6
80.70148	0.3
82.12074	0.2
83.05019	0.3
86.27812	0.3
89.03948	0.4
90.72768	0.2
95.05003	0.5
101.02437	0.4
105.03441	2.4
117.03426	0.3
119.04979	0.4
123.04522	0.3
132.01193	0.5
132.02156	7.8
133.02950	18.9
134.03748	8.2
136.01631	0.4
137.02396	0.5
147.04494	0.6
149.06076	2.2
152.99577	0.3
153.05592	0.4
160.01642	33.8
161.02132	1.7
175.03978	34.3
176.04294	1.9
177.01910	3.6
178.02647	0.8
179.03470	0.7
192.04150	0.3
193.05029	6.7
194.05417	0.3
332.46103	0.3
409.31079	0.3
469.33011	0.6
471.34702	0.9
604.37585	0.8
619.39941	1.3
630.35388	0.4
645.37897	2.1
648.36420	2.7
649.37201	0.5
663.38934	100.0
664.39301	22.9
664.47919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31715	0.4
59.01374	2.5
59.60986	0.4
61.98808	1.8
71.53618	0.6
78.95910	0.5
79.95667	0.4
80.96514	1.2
93.03439	0.8
105.03439	1.9
117.03471	1.5
121.02919	0.7
132.02138	7.5
133.02954	12.2
134.03728	15.9
137.02336	0.8
149.06082	2.4
154.61278	0.4
160.01637	42.5
161.02423	4.3
162.03133	0.6
175.03972	43.9
176.04271	2.5
177.01901	1.7
178.02707	1.0
193.05016	9.5
228.82309	0.4
286.31155	0.5
385.20023	0.7
416.15225	0.7
420.66208	0.5
455.31082	0.5
469.32944	1.0
505.29398	1.0
535.25128	0.5
578.27051	2.9
586.36676	2.1
587.36725	0.9
601.38916	5.7
602.39227	1.2
604.37531	1.7
609.88428	0.5
616.36438	0.4
619.39740	2.2
627.22607	0.4
645.37744	1.3
663.38934	100.0
664.39294	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	664.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00146	0.2
59.01375	0.6
61.98824	100.0
69.63851	0.8
71.01387	0.3
73.45718	0.2
78.95902	0.6
85.55670	0.2
89.02442	0.3
96.96040	0.2
152.99626	0.5
161.02385	0.2
277.21902	0.2
309.66550	0.2
463.70972	0.2
471.34595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64926	0.2
56.71563	0.2
57.03422	0.2
59.01372	6.0
61.98840	0.2
65.92329	0.2
68.99798	1.1
69.03448	0.6
71.01376	4.5
73.02935	1.3
77.03963	0.3
81.03469	0.3
83.01398	0.5
85.02942	2.8
87.00881	0.5
89.02436	1.2
93.03433	0.3
95.01386	0.7
96.95985	2.1
97.02942	0.5
98.95585	1.3
99.00851	0.5
99.92577	0.3
101.02425	3.5
102.98499	0.2
105.03439	0.7
113.02432	5.0
115.01960	0.2
116.92843	0.7
117.03445	1.8
117.12907	0.2
119.05010	10.4
120.05329	0.3
121.02916	0.3
123.04512	1.9
125.02436	0.9
128.03508	0.4
132.02158	2.7
133.02940	38.8
134.03427	1.2
135.04510	13.7
136.04852	0.6
137.02411	0.3
145.02940	3.2
149.06024	0.3
153.05597	1.1
155.03459	0.9
160.01700	0.4
161.02423	100.0
162.02747	4.9
163.03984	19.7
164.04776	3.1
165.05409	0.2
173.04526	0.5
175.03969	0.4
177.05534	0.3
179.03462	3.2
179.07056	2.3
179.08395	0.3
193.05023	0.6
194.77882	0.2
203.05510	0.3
209.10294	0.2
216.43024	0.2
225.07596	1.9
252.31088	0.2
297.09729	0.7
315.10712	0.7
323.07806	1.2
353.10007	0.2
357.11545	0.3
461.16534	1.1
503.16827	6.8
504.16995	1.0
623.19269	0.7
627.26624	0.4
665.20758	47.9
666.21155	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	665.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01157	0.7
59.01376	9.9
61.98823	2.3
64.65674	0.6
69.58967	3.4
71.01370	9.2
72.99290	1.0
73.02931	2.1
78.43529	0.7
79.59426	0.6
85.02933	3.6
89.02435	3.4
89.03993	0.9
91.21803	0.6
93.03449	1.2
95.01371	1.1
96.96007	1.7
97.02967	1.0
99.00888	1.3
99.92566	1.1
101.02456	3.0
107.05044	0.8
113.02458	5.2
115.00365	0.7
116.92846	13.7
117.03463	1.9
117.92840	0.8
119.04993	3.6
123.04501	1.3
125.02428	0.8
132.02133	1.7
132.03035	0.7
133.02940	38.1
134.03802	3.7
135.04512	40.7
136.04869	1.6
145.02953	2.8
149.02391	0.6
153.05534	1.3
155.03455	0.9
161.02426	100.0
162.02757	4.8
163.04004	4.5
164.04776	4.4
166.42856	0.6
173.04535	1.1
175.02509	1.1
175.04048	0.8
179.03484	16.9
179.06964	3.3
180.03902	1.1
193.05034	1.5
208.81372	0.6
223.97966	0.7
315.10892	0.9
323.07837	2.3
367.09802	1.0
461.16702	1.4
476.28278	0.8
485.24210	0.9
485.32849	0.7
503.16272	9.1
503.33719	6.9
504.16757	1.1
568.73694	1.0
623.19696	1.3
627.25763	1.0
636.87225	0.7
665.20776	34.1
665.29535	10.1
666.19531	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	665.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01376	6.2
61.98832	0.8
69.45213	2.2
71.01375	6.2
72.33753	0.3
72.99297	0.5
73.02939	1.0
73.97523	0.3
75.09148	0.3
83.01368	0.4
85.02934	4.2
87.00884	1.5
89.02438	2.0
93.03443	0.8
95.01398	1.5
96.96013	0.8
98.20626	0.6
101.02426	1.8
105.03452	0.8
109.02897	0.4
113.02436	9.3
115.00359	2.4
115.01880	0.4
117.03459	1.3
119.03514	0.5
119.04996	0.7
123.04546	1.7
132.02165	2.4
133.02942	36.0
134.03819	2.0
135.04520	12.9
137.02443	0.5
139.00482	0.4
143.03522	0.5
145.02954	1.1
149.06087	0.4
153.05553	0.8
160.01591	1.9
161.02425	100.0
162.02782	3.9
163.04013	1.0
163.06065	0.4
175.02446	4.2
175.03984	2.2
176.02783	1.2
176.04240	0.4
179.03471	4.0
181.05054	0.3
193.05005	2.0
198.31612	0.3
211.07643	0.5
224.51942	0.3
237.09206	0.6
239.10707	0.3
297.09952	0.3
301.75455	0.3
315.10867	1.0
337.08954	1.0
339.12320	0.4
367.10007	0.4
380.42004	0.4
443.15701	0.4
461.16586	3.5
503.17657	2.1
511.80649	0.3
602.80096	0.3
605.19122	0.8
623.19830	3.9
624.19922	0.4
633.19189	1.0
651.25500	0.4
665.20648	51.0
666.21045	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	665.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00051	0.7
54.18056	0.9
59.01371	36.3
61.98816	5.2
65.01536	0.7
65.99829	1.0
67.01873	1.8
67.25273	0.7
69.03441	0.9
71.01360	2.6
71.17019	1.7
72.02134	0.7
73.02905	1.0
78.95872	0.8
81.02187	2.7
81.03475	0.9
82.95398	5.8
85.02939	5.2
89.02447	0.7
93.03438	3.4
93.51595	0.7
93.93320	0.7
95.04994	1.3
96.96009	1.0
99.04474	1.6
100.03974	0.9
101.02441	1.1
106.06623	1.3
107.05032	1.1
108.04574	3.5
109.02923	0.8
109.04049	2.2
110.04832	1.5
110.06098	1.6
111.00866	3.1
111.04501	3.4
113.02433	1.0
116.05054	1.4
116.62988	0.8
117.03460	0.8
118.06611	4.9
119.04996	2.1
121.02939	0.9
123.04492	3.4
123.05612	7.5
133.02927	1.1
134.03749	1.1
134.06081	2.8
135.04510	3.6
136.07629	0.9
137.02390	1.7
138.04381	1.0
138.05577	4.2
140.07150	1.0
145.02905	2.1
147.04495	3.1
149.02373	2.0
149.06041	1.5
149.07124	1.7
151.04059	1.2
151.05115	8.2
151.07635	0.9
152.03516	8.3
153.05550	3.0
158.06079	1.8
159.03146	0.8
160.03964	1.6
161.02403	1.3
162.05562	2.2
164.04710	1.4
164.07118	4.5
165.05551	1.3
169.06174	1.6
172.07698	5.3
174.05602	1.1
174.09177	1.5
176.07132	4.2
177.06709	1.7
178.05028	8.7
179.03426	1.6
183.07703	8.9
188.07137	1.7
190.05058	1.1
190.08698	2.8
192.06697	1.1
193.04985	1.0
194.08209	3.4
195.06590	3.4
200.07092	1.4
201.06577	1.1
201.10231	0.8
202.05070	1.9
202.08643	4.4
203.11919	1.2
204.10199	0.9
209.09322	1.3
213.10374	0.9
218.08095	2.0
223.06090	2.5
226.07465	2.1
229.09761	1.0
234.11217	1.1
235.07224	1.7
239.08189	1.2
247.10805	1.1
252.09030	1.0
255.11351	19.7
256.11661	1.1
257.09180	2.3
273.07593	1.7
281.12823	4.4
287.13943	1.0
307.10803	3.3
325.11789	4.2
331.12872	8.0
333.12689	1.0
337.15463	1.4
339.13354	0.9
349.15421	1.7
381.18103	1.2
383.12543	5.3
393.14597	0.9
409.13922	2.0
417.01752	0.8
425.17038	2.2
461.17169	4.3
498.30951	0.8
529.18152	3.2
561.19739	1.1
605.21118	1.7
664.37769	2.6
665.23389	100.0
665.36755	3.9
666.13226	1.6
666.23767	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26386	0.5
55.01883	0.5
57.03434	0.9
59.01376	14.6
60.64403	0.5
61.98825	2.4
67.01907	1.4
68.99523	0.7
68.99842	1.3
69.03436	0.6
71.01376	11.9
71.05009	1.2
71.62739	0.6
72.99294	1.1
73.02934	2.7
77.77875	0.5
83.01387	0.9
85.02937	4.3
87.00873	1.3
89.02431	7.1
89.03971	1.7
90.55957	0.5
93.03436	5.4
95.01353	0.7
96.95990	3.3
99.00881	2.3
101.02442	8.3
106.04230	0.5
107.05022	0.6
109.02950	0.8
111.00876	2.4
111.04514	1.4
112.98565	1.8
113.02453	5.1
116.92897	1.0
117.03471	6.8
117.36321	0.6
118.25425	0.5
119.03501	2.1
119.05017	9.2
121.02921	1.5
123.04501	0.9
125.02454	1.0
127.04037	1.7
132.02162	1.9
133.02965	6.9
134.03729	78.7
135.04567	11.4
136.04884	1.0
137.02443	4.2
139.00377	1.5
143.03500	1.0
145.02974	2.9
149.06070	6.9
150.03209	0.6
153.01848	0.6
153.05609	1.0
160.01643	6.6
161.02440	19.0
161.04568	2.2
162.02786	1.2
163.04005	15.5
165.05598	1.0
165.98360	0.5
173.04544	3.1
175.03987	6.4
178.02773	1.6
179.03505	6.2
179.05698	1.1
191.05595	1.5
193.05045	100.0
194.05383	4.2
195.06581	1.6
209.06277	0.6
225.07620	0.6
239.05583	0.8
257.08322	0.5
267.06610	0.7
279.06442	0.7
319.07935	1.1
337.09210	2.7
341.10159	1.7
345.09647	1.4
353.10342	4.4
363.10626	0.6
425.11887	0.9
465.14380	0.9
469.13361	2.0
477.14099	0.7
503.15698	1.1
575.17535	1.5
577.42926	0.7
603.38831	5.6
627.18073	1.0
627.26245	1.9
634.82220	0.9
665.24817	16.8
665.38879	7.9
666.25043	3.2
666.39166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26351	0.4
51.59433	0.4
55.01864	0.6
57.03424	0.5
58.00584	1.4
59.01374	28.0
66.25208	0.3
70.03239	0.4
70.88743	0.6
70.89098	0.8
71.00983	0.8
71.01375	15.9
72.99297	0.7
73.02932	0.7
79.05527	0.6
83.01382	0.8
83.23621	0.4
85.02944	3.2
87.00862	0.9
89.02435	15.9
89.02993	0.8
95.01379	1.5
95.08656	2.6
96.96002	1.5
97.06574	0.4
99.04511	1.4
101.02429	11.6
107.08667	2.3
109.55016	0.4
113.02432	6.8
119.03487	7.7
123.04491	1.3
131.03523	0.5
133.02908	0.6
135.04498	1.2
136.19341	0.4
143.03441	0.4
151.43614	0.4
153.05577	2.3
161.02487	0.4
169.08681	9.4
170.08997	0.7
173.04488	0.5
179.03482	0.6
179.05565	1.0
187.09770	1.1
191.05542	4.1
201.47157	0.4
315.10855	3.2
343.15906	0.3
349.14969	100.0
350.15320	8.2
353.08682	1.2
417.39032	0.4
458.54300	0.5
535.50323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05988	0.4
57.03437	0.9
59.01376	5.8
59.37861	0.5
61.98817	1.3
65.49419	0.5
71.01369	5.1
72.99309	0.6
73.02941	2.0
82.95410	2.2
84.35074	0.4
85.02942	1.7
87.00853	0.7
89.02426	3.9
89.03975	0.5
91.05535	0.7
93.03422	0.6
95.01386	0.5
97.53211	0.5
99.00871	1.9
101.02431	2.4
102.02733	0.4
107.05008	2.1
109.02975	0.5
113.02427	1.2
113.76353	0.5
114.53799	0.4
117.03451	5.7
119.04993	3.7
121.54741	0.5
131.03552	0.9
131.07054	0.6
132.02144	1.4
133.02937	18.6
134.03726	17.9
134.04497	0.3
135.04509	100.0
136.04842	4.8
137.02499	0.6
145.02933	9.2
146.03278	0.7
149.06020	0.6
149.29134	0.5
160.01622	1.2
161.02423	50.8
161.30920	0.5
162.02702	2.5
163.03992	4.4
173.04530	0.5
175.02522	1.1
175.03862	0.9
179.03470	55.4
180.03795	3.7
189.05446	0.4
193.05026	13.1
194.05406	0.5
243.73720	0.5
294.23285	0.5
297.07095	0.4
307.08304	4.4
309.07645	0.7
312.09991	0.6
324.09894	0.7
327.12454	0.5
353.08301	0.6
384.10269	0.5
413.10629	0.7
414.11258	0.7
430.35800	0.5
445.07819	0.5
503.32230	1.3
546.25061	0.5
627.26105	1.1
665.28180	71.8
666.28400	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	665.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.7
66.95901	2.7
67.01893	0.7
67.13213	0.6
67.88162	0.6
69.29517	3.9
69.29921	1.3
71.01379	4.0
73.02937	1.3
80.91674	2.3
82.95406	100.0
83.02495	3.1
83.05042	0.5
84.00895	3.7
85.02927	1.9
87.00854	1.3
89.02436	3.3
93.03444	1.5
94.02242	0.5
95.01379	0.5
99.00874	2.3
101.02426	3.2
107.05013	1.8
109.02963	1.2
111.00838	0.8
113.02454	1.5
115.00340	1.1
117.03462	3.4
119.05010	3.5
123.04455	0.5
125.02477	0.9
127.04000	0.8
128.03519	1.3
131.59654	0.6
132.02208	1.1
133.02939	13.7
134.03740	12.7
135.04512	64.7
136.04779	2.9
137.02444	1.0
145.02945	5.7
149.02394	0.5
149.06049	1.5
153.01917	1.7
153.09167	1.1
160.01651	2.7
161.02425	36.6
162.02769	1.5
163.04001	5.4
164.04794	3.9
165.05547	16.9
165.79517	0.5
166.05930	1.0
173.04506	3.0
175.02460	2.9
175.03979	3.5
178.02660	0.8
179.03474	36.8
179.06970	2.9
180.03784	1.7
184.07866	0.5
193.05034	9.9
194.05388	0.8
195.06598	1.3
197.08221	1.8
248.85431	0.5
291.08704	1.6
307.08310	2.1
323.07727	2.3
327.10648	2.7
337.09238	1.7
503.15552	12.1
504.16156	0.9
519.20563	1.4
521.32977	0.7
627.27008	1.1
665.28302	48.6
665.38550	4.1
666.28705	9.6
666.38824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96810	0.3
54.31765	0.2
57.03432	0.4
58.46255	0.3
59.01373	4.4
61.98816	0.7
71.01373	4.3
72.99284	0.3
73.02932	1.2
79.05515	0.3
83.01348	0.5
85.02933	1.2
89.02428	3.7
89.03953	0.5
91.05522	0.5
93.03457	1.1
95.04964	0.4
99.00871	1.9
101.02433	1.9
105.03446	0.4
107.05017	2.0
108.02167	0.3
111.00922	0.4
113.02448	1.1
114.85234	0.3
116.92829	0.5
117.03454	1.6
119.03561	0.4
119.05013	1.0
123.04499	0.6
131.03519	0.5
132.02177	1.1
132.03072	0.3
133.02936	20.6
134.03751	7.9
135.04506	100.0
136.01700	0.3
136.04834	3.7
137.02391	0.8
139.00333	0.4
145.02931	0.6
149.04585	0.6
149.06044	0.3
151.03938	0.6
160.01723	0.3
161.02420	52.9
162.02765	2.6
163.03995	1.4
164.04814	0.3
165.05527	0.3
173.04553	0.5
175.03992	0.4
179.03467	52.3
180.03795	2.5
191.05600	0.8
193.04987	0.7
193.19205	0.3
195.06619	0.4
207.89561	0.3
223.16293	0.3
232.38911	0.3
305.75732	0.4
357.13464	0.4
412.88031	0.4
503.33615	5.0
504.34122	0.7
566.59967	0.3
627.25555	0.3
665.28101	66.9
666.28552	13.1
666.38226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03441	1.3
58.00587	3.1
59.01373	79.7
60.01698	0.6
68.60158	0.5
69.03450	1.1
69.88858	2.9
71.01374	58.7
72.01721	0.6
72.99302	3.8
73.02940	12.1
79.95718	1.0
83.01393	1.6
85.02940	8.2
87.00889	2.8
89.02434	100.0
90.02758	1.6
95.01380	2.3
96.09990	0.5
96.95997	14.5
97.02932	1.4
99.00867	20.2
101.02432	41.9
109.02944	0.6
113.02436	14.2
115.03983	1.1
119.03484	13.8
125.02455	4.0
131.02512	0.9
131.03490	17.3
133.02927	0.8
135.04533	3.1
143.03473	5.0
149.04535	72.0
150.04892	2.1
161.02440	4.5
161.04532	6.5
165.97137	0.5
173.04594	1.1
179.03615	3.1
179.05594	9.5
183.10260	2.8
184.10623	0.6
191.05589	13.1
195.06602	0.6
221.06587	5.6
251.07724	8.0
269.02603	0.7
275.07819	0.6
293.08685	4.0
307.02206	0.8
307.08173	2.3
311.09827	4.8
346.02115	0.6
357.15533	3.0
485.23804	8.6
486.23981	1.4
665.20831	1.2
665.30463	11.9
666.19958	0.8
666.30463	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	665.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
60.98985	0.9
60.99299	16.4
61.98825	3.7
64.16156	0.4
71.01366	1.8
73.02946	0.5
82.21342	0.4
87.00868	1.5
88.00393	1.2
88.98796	100.0
89.02430	5.8
89.99107	0.8
101.02428	0.4
112.19262	0.4
113.02421	0.6
119.11476	0.4
128.87178	0.4
135.04501	4.0
137.02444	0.5
151.10728	0.5
183.06709	0.4
206.03792	0.5
277.21661	2.6
297.09778	1.6
315.10889	3.4
330.53552	0.5
382.93655	0.4
397.56750	0.4
508.47290	0.5
575.32092	5.2
576.32623	1.1
627.61444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.98820	5.1
68.27301	0.5
71.01353	0.6
78.95915	0.6
83.79398	0.5
96.96008	3.4
103.35160	0.5
113.02430	0.5
116.05071	0.9
117.03464	0.8
132.02136	1.4
133.02943	27.4
134.03378	0.8
135.04521	5.9
137.02388	0.8
137.06020	0.5
142.06546	0.5
145.03006	1.0
158.06053	0.5
161.02431	100.0
162.02789	3.8
170.55032	0.5
178.02594	0.7
179.03473	1.0
193.05104	0.7
203.08240	1.9
230.42711	0.5
234.52548	0.5
305.13150	0.5
375.57370	0.5
503.33575	0.7
527.14685	0.7
529.19812	0.7
603.36938	0.6
665.36865	62.2
666.37189	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	665.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82113	0.4
59.01379	2.3
61.98831	2.6
66.73737	0.4
69.27390	4.5
71.01369	0.6
79.56609	0.4
96.95992	0.8
105.03387	0.5
113.02473	0.5
117.03479	2.8
119.05013	0.5
121.02946	1.1
132.02170	1.1
133.02943	28.5
134.03682	0.9
135.04518	8.5
137.02484	1.3
140.44577	0.4
145.02963	0.9
161.02429	100.0
162.02768	3.0
172.99194	0.5
177.46220	0.5
178.02722	0.5
179.03456	3.8
194.78484	0.5
256.04553	0.4
289.49133	0.5
301.21677	0.4
318.35486	0.5
410.99832	0.5
447.28076	0.4
471.14966	0.5
471.30316	0.5
485.32590	1.2
603.36591	0.5
665.36877	92.9
666.37158	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	665.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77256	0.5
55.01869	5.0
57.03439	4.0
58.00583	1.9
59.01370	35.7
60.99302	3.3
61.98826	5.6
69.03440	1.3
69.57291	3.7
71.01373	65.8
71.05008	6.4
72.01716	1.2
72.99297	4.3
73.02938	28.0
75.00868	1.0
78.95921	0.6
81.03426	0.7
83.01377	14.3
85.02939	36.7
87.00846	3.2
88.98788	0.5
89.02432	10.4
95.01378	4.6
96.95993	3.6
97.02934	2.5
99.00867	12.0
101.02431	100.0
102.02769	1.9
103.04040	0.7
113.02436	31.9
114.02759	0.8
119.03495	1.5
125.02414	2.8
129.01933	1.2
131.03482	0.7
133.02960	2.3
135.04515	3.7
143.03500	6.0
145.02927	1.0
159.02969	7.8
161.02536	6.3
161.04539	47.2
162.04904	1.2
163.03964	1.0
167.65289	0.6
179.03493	3.8
197.86755	0.6
205.03607	1.5
235.10054	1.2
245.26237	0.6
383.92648	0.9
393.80209	0.7
441.33749	3.0
442.34137	0.9
473.32755	0.8
485.32443	2.7
486.32947	1.0
501.35721	1.1
503.25238	0.6
518.32129	1.1
531.33087	3.1
551.32068	2.9
603.38934	71.5
604.39197	15.2
606.53955	0.7
635.37921	2.2
665.39069	9.0
666.39209	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	665.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21969	0.6
57.44149	0.5
59.01364	0.7
61.98818	2.5
65.40771	0.5
71.18934	1.4
96.95997	1.0
105.03463	1.4
108.02174	0.7
121.02943	0.7
123.04497	1.5
132.02136	4.4
133.02948	13.3
134.03741	13.2
135.04443	0.9
136.01656	41.1
137.02382	1.1
149.06064	11.8
149.22142	0.6
151.04004	51.8
151.37910	0.6
152.04318	2.3
160.01649	22.3
161.02261	2.0
175.03986	32.4
176.04324	1.8
177.01891	2.4
178.02666	1.1
193.01395	0.9
193.05043	3.2
211.06149	0.7
215.15053	0.6
368.82611	0.6
453.33575	5.8
454.33826	1.0
471.34717	1.8
497.32712	18.1
498.33075	2.9
513.35614	1.7
518.30499	0.7
531.30914	0.7
588.38153	1.0
632.36993	3.2
633.37402	1.1
647.39447	100.0
648.39825	21.3
665.40533	38.1
666.41058	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	666.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77543	0.3
59.01357	0.4
60.46026	0.3
61.98822	100.0
69.37387	2.2
69.37810	0.7
89.54271	0.3
96.95981	0.3
99.25389	0.3
113.11840	0.3
115.84564	0.4
152.99608	0.4
189.09375	0.4
348.61801	0.3
408.75943	0.3
471.34808	2.5
472.35022	5.5
507.06509	0.4
514.22003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69455	0.4
53.11996	0.3
55.86714	0.4
57.03441	0.9
59.01375	3.2
60.99283	0.6
67.01872	4.1
69.03452	1.1
71.01379	3.0
71.30419	1.0
72.58762	0.4
78.95912	1.1
81.03446	0.9
83.04996	0.5
83.53315	0.4
85.02943	1.7
85.40171	0.4
87.00850	0.6
89.02422	0.6
90.95021	0.4
93.03445	22.6
94.03804	0.5
96.95990	1.6
98.95590	0.6
99.04523	0.4
101.02404	0.4
106.04289	0.6
107.05009	2.1
108.02161	0.4
109.02927	1.1
111.00847	0.8
111.04509	3.9
113.02406	0.9
119.05008	1.3
121.02953	0.8
123.04518	0.5
127.03993	0.9
133.02937	6.5
135.04518	3.0
137.02405	4.3
143.54558	0.4
144.04582	0.4
151.03989	6.6
155.03511	3.2
161.02419	27.2
162.02744	1.2
163.04036	1.9
173.04520	100.0
174.04851	4.1
175.06154	0.5
179.03468	6.2
191.05577	13.7
192.05887	0.8
251.05583	0.5
263.94357	0.4
267.10068	0.6
323.81586	0.4
325.09225	46.4
326.09528	3.5
337.09253	0.7
341.08691	19.4
342.09000	1.6
353.08640	1.8
402.94571	0.4
475.12524	0.8
597.56036	0.4
632.16724	0.5
673.34235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26947	1.5
58.00586	3.7
59.01373	100.0
60.01704	2.2
69.03441	3.7
70.97972	2.9
71.01373	66.7
71.05000	4.4
71.86465	1.1
72.99295	5.4
73.02940	2.2
75.00843	1.4
81.03432	1.1
83.01373	2.5
83.05018	2.2
84.32164	1.2
85.02945	11.6
87.00835	2.9
89.02434	93.0
89.07800	1.2
93.03448	12.9
93.07081	2.9
94.98044	1.6
95.01373	4.7
95.08642	5.5
101.02429	35.2
102.02855	1.3
103.61214	1.1
111.04501	4.1
113.02444	31.3
113.09659	1.2
117.03421	1.4
117.52234	1.1
119.03500	35.2
119.04999	32.5
131.03485	4.4
131.61839	1.2
133.01396	1.4
133.02937	6.1
135.04515	5.4
137.02438	9.8
139.07628	43.6
143.03484	10.5
145.02945	7.0
149.04541	3.7
152.01230	1.3
155.03496	6.0
159.10225	3.3
161.02472	13.9
161.04521	13.0
162.02766	1.3
163.02705	2.3
163.03986	31.8
175.03932	1.3
179.03516	6.1
179.05586	57.8
180.05940	2.2
181.01428	3.7
193.05098	2.3
218.42114	1.2
237.39311	1.3
319.08276	28.3
319.13925	70.4
320.08484	3.4
320.14267	5.5
458.13745	1.5
505.15396	3.0
667.18451	5.9
689.61176	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	667.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48442	0.1
55.01886	0.2
56.81004	0.1
57.03472	0.1
58.00599	0.1
59.01372	5.2
61.98848	0.4
69.75544	0.3
69.75953	0.2
71.01375	3.2
72.99320	0.3
73.02941	1.0
76.69899	0.1
83.01398	0.6
85.02939	1.0
87.00896	0.2
89.02435	2.5
95.01410	0.3
96.96026	0.3
97.02965	0.1
100.77235	0.1
101.02431	5.9
104.18008	0.1
113.02438	3.1
119.03482	5.5
125.02460	0.2
131.03526	0.2
137.02484	0.1
143.03471	0.6
149.02435	0.3
161.02515	0.1
161.04535	2.9
161.05856	0.2
162.04926	0.1
173.22711	0.1
179.03352	0.1
179.05557	0.6
203.05556	0.1
211.40601	0.1
220.49603	0.1
221.06563	0.5
242.60963	0.1
267.60461	0.1
301.21667	100.0
302.22009	9.8
315.23224	0.8
323.09851	0.1
343.22659	0.4
365.10703	0.2
373.23804	0.2
378.66476	0.1
385.23837	0.2
402.15637	0.2
463.26877	0.5
487.34219	1.6
488.34360	0.2
505.27982	2.1
506.28079	0.3
547.28888	0.2
565.29803	0.1
625.32068	0.3
637.37073	0.2
665.74469	0.1
667.33069	3.3
668.33435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40636	0.4
57.03443	3.8
59.01366	2.3
61.35734	0.3
65.03944	1.4
66.24657	0.3
69.03456	0.7
69.71041	0.9
69.71452	1.4
70.93215	0.4
71.01364	0.5
71.59837	0.3
75.11768	0.3
83.01396	0.4
83.05019	4.2
85.02941	0.9
87.00869	5.2
89.02386	0.4
93.03442	1.1
94.67672	0.3
95.05009	1.4
96.95984	0.5
97.06546	0.5
98.19867	0.7
101.06063	0.3
107.04997	0.4
109.02953	0.4
109.06588	0.6
111.04513	1.6
111.08134	1.3
113.02427	0.6
113.06051	0.4
119.05006	1.2
119.08640	1.1
121.02965	0.5
121.06607	2.1
123.08151	12.3
124.01737	0.4
124.05260	0.8
124.08489	0.5
125.02352	0.3
129.07082	0.5
133.02943	1.5
134.03763	0.4
135.02937	0.5
135.04532	2.2
137.05980	0.4
137.09698	1.7
138.06836	0.7
139.07617	2.1
145.10219	1.5
147.08148	0.5
151.07645	1.2
153.09198	1.9
161.02429	4.6
162.02722	0.6
163.03952	3.3
164.04417	0.7
165.01971	0.5
169.08728	0.8
169.10181	1.5
171.11765	14.2
172.12080	1.1
173.04367	0.3
175.11169	0.7
179.03459	3.1
180.03798	0.4
181.01357	0.9
189.12825	4.9
190.13034	0.3
191.05582	1.5
193.05016	0.8
201.12820	5.4
207.13911	3.0
219.13890	2.1
237.14923	17.2
238.15244	1.2
281.13895	100.0
282.14221	8.0
452.85901	0.4
505.15665	0.9
642.95648	0.5
667.19110	2.1
675.79010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22259	0.9
57.46634	0.9
59.01366	3.1
61.98799	2.8
68.23775	0.9
69.40783	1.0
71.01368	2.7
71.61903	1.2
72.99284	2.3
75.00857	2.0
89.02409	2.8
89.57716	1.1
93.03442	4.2
96.95992	2.8
101.02416	2.0
106.04282	1.2
107.04990	1.6
109.02914	1.1
121.02943	18.3
122.03162	1.4
123.04511	13.4
127.78950	1.0
132.02100	1.2
133.02945	20.1
134.03714	4.8
135.04512	50.9
136.01627	2.5
136.04828	1.7
137.02426	100.0
138.02742	3.0
139.03981	7.8
145.02997	1.7
149.02406	25.7
150.02779	1.4
151.03973	3.8
152.91673	1.8
153.05566	1.3
161.02426	47.5
162.02751	1.7
163.67085	1.1
167.03564	1.5
179.03458	7.8
179.05554	1.5
194.92862	1.1
197.04489	4.5
213.77959	1.0
380.71631	1.2
402.70920	1.1
455.31473	1.2
469.32974	11.2
470.33115	2.1
485.32852	2.5
486.33505	1.3
487.34204	23.2
488.34589	3.7
495.31238	2.2
505.37744	1.1
513.32147	29.3
514.32349	5.6
569.34045	2.2
605.38745	3.2
637.37317	25.4
638.38000	4.2
649.37360	81.4
650.37640	14.8
667.29358	1.4
667.38458	39.0
668.38745	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	668.252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14299	0.5
57.03461	2.4
58.99596	4.3
59.01363	1.6
61.98831	7.7
68.53774	0.5
71.01377	0.9
78.95889	1.0
79.17899	0.5
79.95730	1.8
85.02940	0.7
89.02464	0.7
96.96001	57.2
97.02956	0.6
97.95926	1.1
98.95610	2.9
99.92597	0.8
101.00655	43.2
103.02233	0.5
108.02165	0.6
115.92040	1.2
116.92842	4.1
121.06575	4.0
123.04494	0.7
133.02925	1.2
135.04523	1.6
137.09698	8.1
138.01416	1.5
138.06856	1.0
144.08139	0.5
145.06564	0.8
147.04652	0.6
152.03049	0.6
153.09154	1.4
161.02376	2.9
161.09671	3.6
163.02145	0.9
163.07629	3.3
163.11287	1.1
165.09148	0.5
165.89026	0.5
168.06100	1.5
169.06903	36.4
170.07219	1.9
172.07655	2.2
177.05586	1.3
179.03717	0.9
179.05342	4.6
179.10785	1.7
180.06081	1.7
181.03346	0.6
195.08472	16.1
203.10745	10.1
204.10268	11.7
205.10585	0.6
205.12358	1.7
206.09441	1.7
219.08459	35.4
220.08775	2.4
221.11780	10.5
221.13731	1.0
222.12126	0.8
237.09505	52.0
238.09827	3.6
248.06709	1.1
248.09239	14.3
249.09554	1.0
253.72789	0.5
255.10573	100.0
256.10883	6.6
264.13837	0.6
352.80606	0.5
368.14944	10.2
369.15161	1.2
412.14023	4.1
446.12762	10.9
447.13251	1.3
471.34537	1.2
487.34332	5.9
488.34085	2.4
559.17529	0.5
668.25873	0.9
669.24396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.3
60.21416	0.3
61.98823	100.0
71.62290	0.4
78.42037	0.4
87.85387	0.4
96.03922	0.3
104.73634	0.3
125.64655	0.3
141.79129	0.4
152.99577	0.5
192.59290	0.3
268.39084	0.3
277.21893	0.6
430.15118	0.4
569.94989	0.4
654.65509	0.4
699.84467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
62.82935	0.3
67.01884	0.4
69.66932	1.4
71.01357	1.0
71.83685	0.3
73.34049	0.3
78.95924	0.3
79.79265	0.3
81.03459	0.4
85.02944	5.6
87.00864	1.5
91.79422	0.3
93.03451	2.8
96.95998	2.5
109.02950	0.5
109.16837	0.3
111.04507	1.2
113.02412	0.3
121.31435	0.3
123.04511	0.7
127.04015	1.6
133.02908	1.0
135.04514	6.6
136.04858	0.3
153.05577	1.7
155.03474	0.4
161.02391	1.6
165.04062	0.3
171.02937	0.5
173.04524	4.7
179.03465	6.1
191.05583	100.0
192.05931	4.3
315.10837	0.9
318.67130	0.3
353.08823	21.0
354.09131	2.1
369.66626	0.3
447.71893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66135	0.5
57.03442	0.9
59.01370	4.7
61.98818	0.7
65.32546	0.5
69.30765	4.9
71.01372	6.9
72.99329	0.5
73.02933	1.2
75.00864	1.8
78.25273	0.5
85.02933	7.0
89.02454	2.2
95.01376	2.4
96.96014	1.9
101.02409	1.5
104.88709	0.6
105.03429	1.0
105.75090	0.6
107.05025	0.9
109.02974	0.6
113.02441	13.5
116.92875	1.2
117.03438	1.4
118.75647	0.5
121.02948	1.3
123.00876	0.7
124.01672	2.8
132.02156	2.1
133.02940	42.9
134.03822	3.3
135.04507	56.4
136.04852	2.3
137.02446	5.2
138.03223	2.9
139.00328	0.9
139.03990	2.2
143.03435	0.8
148.01601	0.7
149.02435	1.4
149.06067	0.7
150.03223	0.9
151.03966	2.2
153.01909	1.1
160.01631	1.4
161.02420	100.0
162.02730	4.9
163.03935	1.5
164.73737	0.6
165.01909	5.2
165.72771	0.6
166.02734	4.0
170.03793	0.6
175.03964	1.9
177.01872	2.6
177.05548	0.6
179.03471	84.8
180.03859	4.1
181.05003	1.8
191.05551	0.8
193.05026	1.5
195.06590	0.9
203.03429	1.5
251.05486	0.9
323.07718	0.8
338.48013	0.6
461.34598	0.7
473.16309	1.6
487.14594	7.6
489.15784	2.1
529.15491	21.0
530.15948	3.1
615.21796	0.6
646.67236	0.6
651.19196	32.9
652.19824	5.2
669.19684	13.3
670.20398	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	669.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	38.7
69.03439	2.8
69.27366	16.8
70.98866	1.9
71.01376	37.3
72.99290	3.8
73.02931	12.2
81.26259	2.2
83.01367	3.6
85.02943	10.5
88.98796	7.4
89.02433	45.0
95.01380	3.0
96.95988	9.0
99.00875	21.7
101.02451	26.4
105.58944	2.2
107.05022	2.5
109.02933	3.3
113.02448	12.4
115.39947	2.4
119.31448	1.9
123.04562	2.3
124.01610	2.4
125.02410	3.0
125.09679	2.3
131.03479	5.6
132.02113	12.0
133.02942	33.4
134.03728	18.5
135.04517	100.0
136.04813	3.0
137.02415	6.5
139.00352	5.6
149.02440	2.6
149.04538	9.6
149.05887	3.9
150.03162	2.3
151.00296	2.4
151.04001	4.4
151.07599	2.1
152.01077	2.4
153.01906	24.9
154.02643	4.8
160.01643	44.0
161.02429	93.4
161.04529	6.6
162.02789	6.6
163.03961	2.4
165.01920	2.8
167.03442	3.2
167.04955	1.6
168.04239	7.5
169.05051	3.6
175.03981	53.1
176.04416	2.6
177.01964	4.8
179.03481	58.9
179.05243	3.5
179.05652	3.0
180.03775	2.6
191.05562	8.1
193.05043	22.4
195.06557	2.0
225.65834	1.9
251.05530	8.3
285.04016	40.6
323.07785	5.2
331.10278	4.2
337.09222	32.0
338.09534	2.9
413.10907	2.5
447.09253	23.4
463.18143	33.8
464.18866	3.6
478.49106	2.4
487.14352	3.5
507.16110	83.8
508.16858	10.0
529.15485	8.2
625.21252	31.2
626.21057	2.6
651.19476	9.7
652.19659	3.8
669.20135	89.9
670.20288	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	669.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.7
61.98822	0.8
65.00312	0.7
67.01875	0.7
68.99805	0.6
69.44006	2.6
69.44429	1.2
71.01371	6.5
73.02956	1.1
81.90457	0.5
83.01366	1.2
85.02930	2.6
87.00874	0.6
89.02441	1.0
91.01881	2.3
93.03441	1.7
95.01372	1.8
96.96009	0.8
96.99307	0.8
98.19934	0.9
99.00838	0.6
101.02441	4.0
107.01381	1.1
108.02171	2.2
109.02932	65.4
110.03283	2.2
111.00858	1.5
113.02431	3.4
121.02937	16.7
123.00890	2.4
123.04514	1.7
124.01643	1.8
125.02441	1.1
133.03035	0.6
134.03729	0.8
135.00864	1.4
135.04532	2.3
136.01611	1.4
137.02461	2.3
144.44037	0.5
145.02972	0.7
147.04445	1.1
149.02415	2.0
149.05986	0.6
150.03223	0.6
151.03989	2.1
152.01137	3.1
153.01913	96.9
154.02260	3.4
161.02423	1.2
162.03120	0.5
163.03998	2.1
164.04781	2.1
165.05432	0.8
167.03473	3.7
175.03949	0.9
177.01906	0.8
179.03464	1.8
179.07118	1.0
183.10339	0.6
193.05042	1.4
195.02980	2.2
207.02957	0.8
223.06107	2.1
225.04044	1.2
237.03952	0.8
242.05882	0.7
257.08179	0.7
297.06088	41.5
298.06467	2.3
311.07687	2.7
356.12607	14.8
357.13120	3.7
371.14987	3.4
457.86194	0.5
507.34952	1.3
581.80707	0.5
669.21704	100.0
669.40161	3.9
670.22040	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.6
58.12585	0.6
59.01091	1.1
59.01372	13.7
59.41337	0.6
61.98811	0.9
67.01880	12.4
67.08206	0.5
67.85231	0.5
68.99809	34.0
69.03447	11.5
71.01373	4.8
71.60965	0.8
73.02936	5.3
73.29380	0.6
83.01352	0.7
85.02926	2.9
87.00851	3.4
87.04493	0.9
89.02425	4.1
93.03442	2.0
95.01388	3.0
95.05019	8.5
96.95995	0.9
99.04532	0.9
101.02431	75.6
102.02764	1.1
103.04015	3.2
109.78387	0.6
111.00867	30.1
111.04544	0.7
113.02440	1.6
115.03964	0.9
119.03490	1.3
119.05003	3.5
121.02945	4.3
121.06597	0.8
123.04504	1.4
125.02436	5.3
127.03996	30.0
130.85049	0.7
131.03485	2.1
133.02910	1.0
134.03691	0.7
135.04500	2.9
137.06068	9.8
139.00369	13.7
139.03993	11.7
143.03487	7.1
145.02881	0.9
145.05011	1.0
146.51541	0.5
149.02449	3.4
153.01923	5.1
153.05531	0.7
153.09183	0.6
155.10742	0.6
161.02432	3.6
161.05836	0.6
163.04060	3.1
163.06091	12.7
164.06390	0.5
165.05499	2.1
171.02956	10.6
179.03458	2.3
179.07030	1.0
181.05003	1.1
197.08145	0.9
205.07051	3.2
209.04312	0.6
223.06126	4.9
230.75496	0.6
259.09705	37.6
260.10025	3.1
265.09299	1.2
291.08698	100.0
292.09006	7.4
299.60065	0.7
329.10281	0.8
361.12845	44.6
362.13217	4.6
452.04688	0.6
455.11868	1.7
507.18378	1.4
549.18329	1.4
669.24323	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	669.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52612	1.4
56.85440	1.3
57.03438	1.9
58.00583	1.4
59.01371	52.5
61.98820	1.9
67.01923	2.7
69.48388	11.5
71.01377	35.8
72.99294	2.1
73.02940	4.4
83.05023	3.1
85.02937	10.5
87.00888	2.8
89.02434	36.5
93.03445	15.1
95.01368	2.1
96.96011	21.9
98.20686	2.9
101.02438	22.9
108.02155	1.5
111.04504	9.1
113.02434	15.5
119.03508	17.9
121.02953	2.4
123.04516	13.1
123.92156	1.8
129.01968	1.9
131.03487	2.3
133.02898	2.0
134.03728	5.5
135.04510	98.0
135.08087	3.3
136.04839	4.6
137.02441	5.4
143.03461	1.8
147.00832	3.1
149.02451	3.7
150.03195	3.7
153.05553	12.4
153.09196	5.8
155.03516	9.8
161.02449	2.8
161.04536	2.1
165.05568	3.0
167.10742	4.3
173.04529	30.3
175.00433	2.2
176.04637	1.9
177.09160	3.2
179.03477	4.3
179.05560	2.8
179.07126	2.5
187.82991	1.7
191.05533	8.0
193.05003	2.7
195.10234	2.8
197.08070	2.0
207.02948	6.1
223.06140	2.4
226.09714	1.6
263.09064	1.8
297.09842	4.7
315.10828	78.2
316.11151	4.3
451.19626	10.9
461.16843	2.2
477.18039	2.1
495.18661	76.1
496.18945	12.2
503.40402	2.0
669.23950	100.0
670.24304	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	669.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.2
58.00580	1.0
59.01095	1.3
59.01375	22.4
60.99290	1.4
61.98824	15.7
67.01879	10.7
69.03443	2.3
69.49001	2.0
69.49417	3.7
70.72755	0.8
71.01378	19.2
72.99294	1.1
73.02937	3.5
81.03441	2.0
83.01373	1.8
83.05007	2.6
85.02938	9.6
87.00871	3.4
87.04518	1.4
88.41824	0.7
89.02433	11.6
93.03448	58.0
95.01405	1.0
95.31360	0.9
96.95956	0.8
97.02930	1.7
99.00884	0.8
99.04514	0.8
101.02441	9.6
109.02930	2.6
109.06580	0.9
111.00863	2.8
111.04514	9.8
113.02431	9.8
119.03481	5.0
121.62002	0.9
123.04504	10.6
127.03973	1.4
131.03445	0.9
134.03717	3.2
135.04515	43.1
136.04865	2.0
137.02434	10.3
143.03519	0.9
146.03693	1.5
149.02402	0.9
149.06102	0.9
153.05568	11.4
153.09204	9.0
155.03499	9.5
161.02405	2.1
161.04575	1.2
161.05975	1.6
163.03999	1.4
164.04689	2.0
165.01933	1.0
167.10765	5.7
173.04527	100.0
174.04805	4.2
175.03917	1.1
177.19577	0.9
179.03374	1.6
179.05614	0.9
179.07123	2.1
191.05592	32.8
193.04993	2.4
195.06541	0.9
195.10248	3.4
197.07933	1.2
201.09344	0.9
239.08989	0.9
263.09158	1.0
297.09769	11.3
315.10788	32.2
316.11203	2.0
451.19650	18.0
452.20346	1.7
491.15512	1.2
495.18671	68.4
496.18924	10.6
521.20337	2.0
607.17432	0.9
648.10968	0.9
669.23932	69.0
670.24103	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	669.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.2
58.00580	1.0
59.01095	1.3
59.01375	22.4
60.99290	1.4
61.98824	15.7
67.01879	10.7
69.03443	2.3
69.49001	2.0
69.49417	3.7
70.72755	0.8
71.01378	19.2
72.99294	1.1
73.02937	3.5
81.03441	2.0
83.01373	1.8
83.05007	2.6
85.02938	9.6
87.00871	3.4
87.04518	1.4
88.41824	0.7
89.02433	11.6
93.03448	58.0
95.01405	1.0
95.31360	0.9
96.95956	0.8
97.02930	1.7
99.00884	0.8
99.04514	0.8
101.02441	9.6
109.02930	2.6
109.06580	0.9
111.00863	2.8
111.04514	9.8
113.02431	9.8
119.03481	5.0
121.62002	0.9
123.04504	10.6
127.03973	1.4
131.03445	0.9
134.03717	3.2
135.04515	43.1
136.04865	2.0
137.02434	10.3
143.03519	0.9
146.03693	1.5
149.02402	0.9
149.06102	0.9
153.05568	11.4
153.09204	9.0
155.03499	9.5
161.02405	2.1
161.04575	1.2
161.05975	1.6
163.03999	1.4
164.04689	2.0
165.01933	1.0
167.10765	5.7
173.04527	100.0
174.04805	4.2
175.03917	1.1
177.19577	0.9
179.03374	1.6
179.05614	0.9
179.07123	2.1
191.05592	32.8
193.04993	2.4
195.06541	0.9
195.10248	3.4
197.07933	1.2
201.09344	0.9
239.08989	0.9
263.09158	1.0
297.09769	11.3
315.10788	32.2
316.11203	2.0
451.19650	18.0
452.20346	1.7
491.15512	1.2
495.18671	68.4
496.18924	10.6
521.20337	2.0
607.17432	0.9
648.10968	0.9
669.23932	69.0
670.24103	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	669.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03450	0.4
58.00583	1.1
59.01373	35.2
60.01704	0.6
69.89136	1.0
71.01373	18.2
72.01717	0.3
72.99303	1.3
73.02949	0.7
73.22510	0.2
81.66987	0.3
83.01394	1.0
85.02944	4.1
87.00872	0.5
89.02434	20.8
90.02789	0.3
95.01377	1.6
96.96032	0.3
98.20615	0.4
99.00873	0.3
101.02434	14.0
113.02438	7.2
113.09688	0.9
119.03480	8.5
131.03525	0.5
133.02928	0.5
135.04520	1.3
141.09203	6.7
143.03503	0.8
149.04532	0.3
159.10254	2.6
161.02429	1.6
161.04457	0.4
162.02719	0.4
179.03470	0.9
179.05530	0.5
179.93605	0.3
196.66614	0.2
321.15491	100.0
322.15836	7.3
322.84042	0.3
424.52185	0.3
550.64563	0.3
651.18768	0.4
669.19598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62279	0.7
61.98822	1.3
70.09556	2.2
109.68993	0.7
117.03456	16.6
117.52415	0.6
119.05024	8.3
121.02911	1.2
124.47976	0.7
124.91207	0.7
135.19473	0.7
145.02939	56.7
146.03244	2.7
146.12534	0.7
147.64673	0.6
163.03996	6.7
349.71344	0.7
571.37939	0.9
589.38818	2.1
615.36688	2.3
633.37872	100.0
634.27472	1.0
634.38245	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39526	0.4
61.98822	0.9
66.30513	0.4
71.53744	0.6
90.80137	0.4
92.92793	16.5
93.63512	0.3
114.99709	0.4
132.02148	0.7
133.02945	15.7
134.03694	1.6
135.04526	5.6
137.02434	1.0
161.02420	52.0
162.02779	1.8
162.59512	0.4
163.04184	0.4
176.73689	0.4
178.02687	0.5
179.03485	1.0
220.32607	0.4
260.46115	0.5
372.57547	0.4
426.16473	0.5
437.18301	0.4
506.38882	0.4
633.37842	100.0
634.38190	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	669.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.6
61.98820	0.8
62.76439	0.3
70.46294	1.0
74.08887	0.3
78.95908	0.9
96.96010	1.0
102.09286	0.3
106.54765	0.3
132.02145	0.6
133.02940	17.8
134.03789	2.1
135.04517	6.7
137.02400	2.0
148.71376	0.3
152.99550	0.6
161.02423	58.0
162.02779	2.7
166.11761	0.3
173.08043	0.3
178.02716	0.5
179.03452	1.8
374.42389	0.3
374.54181	0.3
497.33047	0.4
571.28735	1.0
633.37848	100.0
634.38214	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98805	1.0
62.03179	0.4
71.53912	0.7
71.96175	0.4
74.77148	0.4
78.95889	1.3
93.17638	0.4
96.95981	1.8
132.02122	0.6
133.02945	16.6
134.03790	2.2
135.04500	5.5
137.02394	1.5
152.99533	0.6
160.93089	0.4
161.02434	53.0
162.02754	2.1
179.03505	1.7
195.52628	0.4
198.62383	0.4
241.01126	0.5
255.23280	1.0
275.77527	0.5
339.04282	0.4
408.21902	0.4
497.32806	0.5
571.28717	1.2
633.37854	100.0
634.38269	19.3
634.46844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39327	0.7
59.01352	3.4
61.98821	6.2
71.01376	1.9
80.58675	0.8
96.95992	2.1
101.02429	0.9
121.02957	1.1
137.02428	1.4
140.74759	0.9
144.64929	0.8
162.84053	0.8
163.04196	0.8
197.02185	10.3
340.50259	0.9
367.61426	0.8
371.54092	0.8
471.34738	100.0
472.35162	15.0
487.34241	1.5
633.40314	1.6
669.25952	1.8
669.37683	38.7
670.38025	8.2
677.34552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01360	1.5
61.98830	0.9
67.33338	0.3
70.18805	0.4
71.01360	1.2
71.61584	0.5
85.02943	2.1
87.00864	1.0
89.02429	0.5
89.17913	0.3
96.03381	0.4
96.96004	0.7
99.04490	0.4
101.02415	0.5
113.02452	0.9
125.09700	0.3
135.04474	0.7
135.08167	0.7
149.06009	2.7
149.09618	0.4
150.06847	21.7
151.07219	1.0
155.10718	1.8
161.02373	0.8
162.06839	0.7
163.07635	13.8
164.08395	3.4
171.10216	2.4
176.08432	1.8
177.09174	1.1
178.09940	1.6
179.03415	0.5
179.10741	7.8
191.14372	0.7
197.15454	0.7
248.35426	0.4
255.15994	0.9
263.19983	0.5
281.21280	0.5
307.22571	0.4
325.23801	2.5
327.21747	4.0
428.29361	0.5
443.31598	0.8
444.32111	0.7
446.30261	3.9
447.30524	0.9
460.31903	2.4
461.32599	8.3
461.39066	0.5
462.32864	1.3
470.30194	0.5
488.31302	5.6
489.31888	2.7
506.32391	9.6
507.33170	20.3
508.33578	3.8
650.89294	0.4
669.38464	100.0
670.38770	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	669.385
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
51.19608	0.3
56.94285	0.3
56.95663	0.3
57.03434	0.8
59.01357	1.2
60.41026	0.4
61.98811	1.5
71.01376	1.0
71.04979	0.6
71.61665	0.6
85.02943	1.1
87.00875	0.9
87.05086	0.3
93.83334	0.4
96.95975	1.0
99.04528	0.6
101.02426	0.6
111.00848	0.5
111.08150	0.6
113.02387	0.6
113.06052	0.8
117.03410	0.4
118.35263	0.4
123.08248	0.4
127.04002	0.4
133.02934	0.7
133.32004	0.3
134.13885	0.4
135.04518	0.8
135.08160	0.6
136.05296	0.7
137.06075	1.2
145.02930	1.3
146.72762	0.4
148.05336	0.4
149.06071	4.3
150.06847	39.1
151.07155	1.8
154.84248	0.3
155.10818	0.9
161.02422	2.1
161.09680	0.5
162.06766	1.1
163.07625	9.7
164.08417	5.6
168.96274	0.4
171.10255	1.0
176.08444	1.7
177.09044	0.6
178.09955	2.3
179.03418	0.6
179.10739	12.5
180.11076	1.2
197.15320	0.8
237.18576	0.4
263.20090	1.1
273.75488	0.4
281.21228	0.7
307.22919	0.4
325.23795	1.0
327.21680	6.3
328.22110	0.4
361.73538	0.4
414.31155	0.4
428.29190	0.9
430.31143	0.4
443.31357	0.8
446.30215	7.1
447.30621	1.1
448.31525	0.5
460.31952	0.8
461.32620	11.4
462.33017	1.9
463.34073	1.1
463.90546	0.4
464.55859	0.4
488.31299	2.2
489.32071	2.7
506.32291	2.7
507.33157	26.1
508.28070	0.3
508.33789	3.5
669.38440	100.0
670.38757	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	669.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00570	0.6
55.29485	0.5
57.03432	0.8
57.77404	0.5
59.01357	1.6
61.98805	1.0
66.77646	0.6
68.99779	1.0
71.01346	0.8
71.05019	0.6
71.60828	0.6
73.02945	0.7
85.02939	1.8
87.00857	1.9
96.95974	1.1
101.02415	1.1
119.04978	0.9
126.93034	0.5
135.04533	0.9
135.08124	1.2
137.06024	0.8
145.02943	2.2
149.06052	2.7
150.06844	21.8
151.07245	0.9
155.10736	1.8
161.02426	0.7
162.06853	0.8
163.03902	0.9
163.07634	14.1
164.08429	3.6
171.10205	2.3
176.08316	0.9
177.09120	1.0
178.09947	2.3
179.10756	7.4
179.12218	0.9
197.15471	1.2
255.15994	1.2
256.33853	0.6
291.08606	0.7
325.23837	2.2
327.21671	3.9
446.30338	4.7
460.31995	2.8
461.32608	7.4
461.94070	0.6
462.33020	1.0
474.92676	0.5
488.31503	5.5
489.31842	2.6
506.32330	8.5
507.33173	19.4
507.40649	1.1
508.33621	2.7
669.38458	100.0
670.38763	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	670.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19762	0.7
50.27045	0.9
59.01370	7.5
61.98822	53.3
66.07649	0.7
66.50397	0.9
68.99808	1.3
69.03424	1.3
71.01381	7.2
71.61687	0.9
73.02943	1.1
83.01361	0.9
84.62658	0.9
85.02952	2.1
89.02422	4.3
90.79369	0.9
90.89349	0.7
91.01846	1.0
93.03442	3.1
96.95990	2.2
97.02940	0.7
99.00893	1.0
101.02430	4.9
106.04276	1.0
107.05032	1.5
111.00846	1.3
113.02406	1.9
117.03435	1.9
119.05021	2.7
121.02924	3.6
123.04500	1.5
125.02411	1.4
133.02011	1.4
133.02942	18.9
134.03735	12.9
135.04507	100.0
136.04878	4.3
137.02444	9.4
139.00310	1.0
145.02864	1.0
149.02399	1.5
149.06070	1.2
150.03162	2.1
151.03972	14.1
160.01620	3.2
161.02422	53.2
162.02777	2.6
163.03963	2.8
164.04695	1.2
165.05511	1.8
167.03436	1.4
175.03955	3.0
178.02658	1.8
179.03468	68.5
180.03799	2.5
191.05505	1.2
193.05020	4.4
194.05443	1.0
221.04468	4.0
231.37164	0.7
251.05498	1.6
291.08667	2.3
292.09027	0.9
311.07809	4.7
353.08777	10.5
362.13269	1.1
395.09708	2.1
455.11865	93.8
456.12228	9.9
475.15799	2.6
575.13702	2.7
607.16595	27.6
608.16772	5.5
610.81116	0.9
623.20483	1.2
635.23047	1.3
641.21960	0.8
669.34521	1.2
670.24481	1.3
671.20758	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	670.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07969	0.2
53.12576	0.2
54.96032	0.2
59.01367	2.8
59.72822	0.2
60.99283	0.2
61.98822	100.0
62.98507	0.2
71.01375	1.6
72.99315	0.3
73.02946	0.4
85.02959	1.4
88.98788	1.0
89.02442	1.4
93.03459	0.4
95.01392	0.7
101.02421	1.1
113.02428	2.7
117.03460	1.4
119.03514	0.6
119.04961	1.1
121.02965	0.2
123.04534	0.4
127.59770	0.2
133.02945	6.0
133.52196	0.2
135.04510	3.2
145.02933	4.8
146.21088	0.2
152.01097	0.3
153.01926	0.2
153.05582	0.5
155.03438	0.3
155.10797	0.9
161.02422	22.3
162.02710	1.1
163.04045	0.8
167.03519	0.3
173.04565	0.8
179.03543	0.8
199.09775	0.2
205.24704	0.2
297.09753	0.3
315.10608	0.5
461.16739	0.8
497.20102	2.4
607.20227	20.5
608.20667	3.7
608.29803	0.3
639.08905	0.2
671.26190	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	670.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.4
61.98824	94.7
69.30414	7.2
71.01374	5.8
74.02470	1.2
79.95742	1.1
83.01398	1.5
85.02943	5.0
89.02434	3.1
93.03435	2.2
95.01373	2.1
96.96004	24.0
98.19907	1.6
101.02467	1.2
113.02441	15.9
117.03449	23.0
119.05006	6.7
121.02962	0.9
123.04472	4.1
133.02945	3.6
135.04514	11.9
137.02454	2.3
145.02940	100.0
146.03294	3.9
153.05537	4.2
161.02438	12.4
161.04520	1.6
162.02748	1.5
163.04001	8.1
171.38083	0.8
179.03477	1.4
221.46191	1.0
266.44376	0.9
296.14911	2.2
315.10843	1.6
322.20169	0.9
350.54800	0.9
378.90283	0.9
443.72961	0.9
461.16611	11.3
462.16846	1.4
467.78302	0.8
607.20245	92.2
608.20685	13.5
648.71069	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	670.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44894	0.2
59.01371	1.0
61.98822	100.0
62.98525	0.2
69.44040	1.0
71.01374	1.0
79.97794	0.2
85.02956	0.4
87.00842	0.1
89.02434	0.5
89.31625	0.2
93.03448	1.3
96.95970	0.3
101.02452	0.3
111.04498	0.3
113.02422	0.8
117.03419	0.7
119.05000	0.4
123.04531	0.3
133.02927	0.2
134.03722	1.4
135.04507	1.5
135.08182	0.1
137.09709	0.4
145.02925	3.3
146.03639	0.4
153.05583	0.2
155.03581	0.2
155.10754	1.0
160.01706	0.1
161.02464	0.3
161.06084	0.3
163.04015	0.5
164.04762	0.3
167.03444	0.2
169.12309	0.2
173.04532	2.2
175.04025	0.3
179.03551	0.2
179.07118	0.8
181.08696	0.2
191.05583	0.2
193.04990	1.6
195.10315	0.3
199.09808	0.3
215.22731	0.1
223.09735	0.2
265.10962	0.2
297.09824	0.2
315.10974	0.2
343.13934	0.2
461.16571	0.8
462.16656	0.2
497.20178	2.1
523.21729	0.8
607.20258	5.9
608.20898	1.3
671.25507	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	670.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44894	0.2
59.01371	1.0
61.98822	100.0
62.98525	0.2
69.44040	1.0
71.01374	1.0
79.97794	0.2
85.02956	0.4
87.00842	0.1
89.02434	0.5
89.31625	0.2
93.03448	1.3
96.95970	0.3
101.02452	0.3
111.04498	0.3
113.02422	0.8
117.03419	0.7
119.05000	0.4
123.04531	0.3
133.02927	0.2
134.03722	1.4
135.04507	1.5
135.08182	0.1
137.09709	0.4
145.02925	3.3
146.03639	0.4
153.05583	0.2
155.03581	0.2
155.10754	1.0
160.01706	0.1
161.02464	0.3
161.06084	0.3
163.04015	0.5
164.04762	0.3
167.03444	0.2
169.12309	0.2
173.04532	2.2
175.04025	0.3
179.03551	0.2
179.07118	0.8
181.08696	0.2
191.05583	0.2
193.04990	1.6
195.10315	0.3
199.09808	0.3
215.22731	0.1
223.09735	0.2
265.10962	0.2
297.09824	0.2
315.10974	0.2
343.13934	0.2
461.16571	0.8
462.16656	0.2
497.20178	2.1
523.21729	0.8
607.20258	5.9
608.20898	1.3
671.25507	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	671.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
58.00576	1.6
59.01371	82.3
61.98822	14.7
67.01870	6.5
68.99815	11.5
69.03446	3.6
69.31548	8.6
69.31950	1.9
71.01374	29.9
71.10418	1.1
72.99300	19.1
73.02919	2.9
83.01367	2.3
83.04992	2.1
85.02944	12.4
87.00856	2.4
89.02433	32.2
91.05519	4.9
93.03451	8.0
95.01385	5.6
96.96003	3.4
97.02956	1.7
98.19941	2.9
99.00859	2.2
99.04504	2.3
101.02425	29.0
107.04987	4.7
109.02921	3.4
109.38875	1.1
111.00868	16.3
111.04502	6.4
113.02432	14.0
119.03506	11.1
119.05008	14.5
121.02916	4.9
123.04527	2.3
125.02441	6.7
125.06126	1.1
127.04011	12.1
131.03458	1.7
133.02905	3.3
134.03676	2.3
135.04515	21.9
136.04810	2.0
137.02454	9.7
137.06076	4.6
139.00372	10.4
143.03442	3.4
146.03693	1.3
147.04510	12.6
149.02391	2.8
149.04445	1.1
149.06046	1.8
150.03271	2.0
151.03969	3.1
151.07620	1.8
153.01915	3.1
153.05577	6.7
159.04474	1.6
161.02412	9.4
161.04463	1.9
163.03976	11.2
165.01886	3.0
165.05521	8.5
169.01376	2.3
171.02983	2.6
175.04027	2.1
177.05510	4.4
179.03513	9.1
179.05603	9.3
181.05052	2.2
185.06006	1.4
187.07649	1.7
191.03491	9.5
191.05234	1.6
193.04974	3.7
194.05403	1.2
195.06668	8.0
197.04391	1.4
207.02966	1.7
207.06526	1.3
209.04498	1.6
209.46945	1.3
213.05571	1.2
213.09041	1.3
222.51579	1.1
239.05487	4.1
267.06406	1.9
281.06516	1.7
285.07535	3.9
287.05624	1.6
299.08765	1.1
303.08627	2.2
319.08292	1.7
327.08755	1.9
329.06622	1.7
329.10165	8.1
355.08353	2.7
363.07034	3.4
373.09171	2.0
377.12280	1.3
389.08707	1.5
415.10852	1.6
433.11060	3.2
434.11298	1.2
435.13013	1.3
509.12589	2.8
509.22119	2.9
597.18219	2.3
609.18573	5.9
625.17169	2.0
653.17114	61.3
654.17542	11.0
671.18115	100.0
672.18457	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
60.99300	16.8
64.06163	0.3
76.14877	0.2
78.36187	0.2
81.88099	0.2
87.00880	0.3
88.98795	100.0
89.02413	0.6
89.68533	0.2
89.99125	1.0
91.91944	0.3
93.59673	0.2
94.76272	0.3
101.02438	0.4
111.00823	0.3
115.61691	0.3
119.05074	0.3
135.04509	0.4
136.05283	2.4
149.06044	0.7
150.06985	0.3
151.07684	0.5
161.02400	0.4
164.08401	0.3
165.09192	2.6
179.03494	0.8
251.30649	0.2
291.08636	1.1
292.16693	0.3
307.18954	0.3
343.21124	0.6
359.11221	0.4
463.30710	1.1
491.29999	0.3
509.31085	3.0
535.77380	0.3
671.36359	12.4
672.37018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28519	0.4
57.03431	0.4
58.36277	0.3
59.01377	5.3
61.98827	3.7
70.64864	0.4
71.01373	3.2
72.99310	0.5
73.02946	0.5
77.58485	0.3
85.02945	0.9
87.00855	0.6
89.02437	3.0
93.03448	1.1
96.95985	0.5
101.02442	1.6
108.02159	0.4
109.02905	0.5
113.02441	1.4
117.03445	1.2
119.03466	1.0
119.05010	3.7
121.02936	2.6
122.03731	3.0
123.04537	0.6
123.06776	0.4
125.02399	0.6
132.02164	9.2
133.02956	4.2
134.03732	18.2
135.04541	4.0
136.01631	1.1
137.02426	14.1
137.06058	0.7
137.09726	0.6
138.02686	0.6
145.02905	0.9
146.03719	1.1
147.04446	0.7
149.02417	6.2
149.06065	3.0
150.03210	18.6
151.03862	0.5
155.10747	1.4
160.01642	48.5
161.02434	11.3
161.23141	0.4
164.04761	2.1
165.05547	12.4
166.05826	0.4
175.03978	51.1
176.04382	3.0
177.01778	0.4
177.05502	1.0
178.02652	1.3
179.03467	4.5
179.07138	1.4
180.04204	0.9
181.05145	0.4
191.05595	0.5
191.07127	1.4
193.05028	12.7
194.05440	0.4
195.06551	4.1
197.27190	0.4
207.06572	0.6
221.04486	1.4
223.09718	0.7
235.06062	2.8
239.07021	0.7
247.06093	1.0
249.07729	0.4
250.06334	0.5
251.05588	0.9
254.09273	0.5
265.06985	0.4
281.06522	0.9
282.08939	1.3
285.03879	2.0
295.07968	0.5
341.10251	5.0
343.14243	0.5
355.11823	0.5
383.11380	0.7
474.15378	0.6
475.16016	100.0
476.16278	12.0
523.22144	0.9
529.16956	1.0
608.20581	1.1
609.12494	1.0
623.21350	4.9
671.24139	2.1
671.35553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.267
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
59.01371	10.1
61.98819	37.5
69.42638	10.4
69.43044	37.7
78.37133	6.3
78.95891	8.7
86.62948	5.7
98.20585	10.2
104.24927	7.4
183.06004	6.3
437.29480	6.5
671.26770	100.0
672.26807	23.1
702.15546	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	671.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97164	0.5
57.82986	0.5
59.01374	6.6
61.98829	5.3
64.62534	0.5
71.01377	3.7
73.02946	1.3
75.17090	0.5
79.55135	0.5
85.02948	2.0
89.02441	1.8
89.03939	0.6
93.03462	0.6
95.05029	0.6
96.96009	1.5
99.00887	1.2
101.02441	2.7
107.05021	2.4
113.02467	1.3
116.51015	0.5
117.03460	2.0
119.05029	0.6
121.02975	0.7
132.02141	0.8
133.02940	18.2
134.03740	10.9
135.04507	100.0
136.04800	3.3
137.02379	0.6
156.99020	0.7
160.01683	0.8
161.02422	45.0
162.02777	1.8
175.03972	0.6
179.03471	53.5
180.03784	1.8
193.04996	4.4
241.09808	3.1
256.12109	1.5
315.13425	4.0
410.90836	0.5
611.23523	1.4
635.27484	0.9
639.20947	0.8
671.26984	61.3
672.27325	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	671.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
61.98826	10.2
62.43518	0.4
71.01364	1.0
82.95369	0.6
91.39735	0.4
96.95997	0.6
100.64658	0.5
101.02433	0.5
121.02923	0.6
122.06121	1.3
133.02922	1.7
134.03723	1.5
135.04529	7.0
140.71164	0.4
152.07109	3.2
158.02470	0.5
161.02386	3.2
179.03470	3.8
190.05067	2.0
193.05037	1.0
198.09259	2.7
202.08629	0.5
212.05902	0.8
212.67557	0.4
213.06650	0.4
217.10049	0.5
218.30824	0.4
223.08754	0.7
225.06680	0.6
226.07387	1.4
228.08961	2.6
237.59993	0.6
239.09624	0.8
239.11882	11.0
240.12216	1.2
241.09790	71.6
242.10107	4.6
243.11378	2.1
255.11421	1.4
256.12143	41.8
257.12476	2.6
300.11130	7.8
301.11484	0.6
315.13461	100.0
316.13773	9.2
329.15256	0.4
330.16135	1.1
340.10583	0.5
341.12299	0.4
355.12927	7.4
356.13568	0.8
471.34949	3.0
472.34781	1.2
473.34863	0.6
487.47375	0.5
495.23846	0.5
521.21222	0.7
563.23035	1.1
595.25275	2.9
596.25360	0.7
671.28552	3.7
671.39026	2.4
672.29340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.5
61.98822	15.7
63.18351	1.1
71.01389	5.3
71.62218	0.9
73.02921	1.4
84.85283	0.9
85.02927	0.9
88.98801	2.1
89.02404	3.2
96.95995	2.2
99.00854	2.8
101.02416	3.4
107.04969	1.7
113.02370	1.0
117.03483	1.4
132.02176	1.2
133.02942	17.4
134.03748	8.1
135.04510	100.0
136.04834	3.7
141.01726	1.4
161.02425	42.4
162.02785	1.9
165.01996	1.1
174.80281	1.0
179.03476	54.2
180.03970	1.2
193.04953	1.3
237.07632	1.2
404.51236	1.2
471.34769	3.0
472.34808	1.7
511.12482	1.3
611.39063	1.3
671.26965	60.8
671.38025	4.6
672.27313	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	671.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11813	8.2
61.71508	9.6
61.98811	33.5
69.36420	66.4
80.74136	7.4
87.32554	7.8
92.41599	7.4
96.95999	18.6
112.98545	11.1
117.03451	24.9
123.04620	8.5
133.02950	9.2
145.02933	52.0
146.03227	8.7
163.04004	14.9
195.92326	7.7
277.21652	14.5
425.26813	8.8
450.57370	8.2
452.21658	10.0
455.27930	13.1
589.30115	10.6
633.37732	100.0
634.38196	23.9
635.38593	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77031	0.5
53.67802	0.4
57.03448	0.7
59.01380	2.7
61.98826	9.2
69.24305	5.5
71.01362	1.8
73.66870	0.6
82.95369	0.5
85.02940	1.0
87.00867	1.3
88.98772	1.1
89.02420	1.2
96.96011	1.7
101.02412	1.2
111.04522	0.7
113.02425	1.0
119.04988	1.1
121.06564	0.7
122.03712	0.8
122.70487	0.5
123.04482	0.6
123.08079	0.6
133.02975	0.8
134.03685	1.6
135.04469	2.1
136.05287	24.8
137.02428	0.9
137.05898	0.9
137.09688	1.1
145.02953	1.0
147.08122	0.8
149.02391	0.5
149.06076	4.4
150.06879	2.4
153.05530	0.5
153.09180	0.7
155.10773	0.8
161.02425	1.9
162.06888	1.1
163.03967	1.4
163.07654	1.3
164.04701	0.8
164.08412	2.4
165.09190	23.1
166.09492	1.2
175.03954	1.5
177.05606	0.5
179.03452	1.0
179.10651	0.5
184.10883	0.6
193.04987	1.9
201.11330	0.5
222.28691	0.4
222.93433	0.6
223.06073	1.8
235.06148	0.6
285.04001	0.9
289.18115	1.0
292.16727	1.0
307.19275	2.6
336.19397	1.0
343.21173	6.0
380.80304	0.6
463.30588	9.8
464.30774	0.7
485.12958	1.0
491.29956	2.0
508.30026	1.2
509.31061	26.1
510.31589	4.2
635.23016	0.7
639.21198	0.6
671.36353	100.0
672.36658	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	671.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18291	0.4
53.30552	0.4
54.30474	0.4
57.03452	0.5
59.01376	2.6
61.98814	2.0
71.01379	1.7
73.02950	0.9
85.02930	1.4
88.98798	0.8
89.02425	0.8
93.60276	0.5
94.69408	0.4
98.20666	0.6
99.00925	0.5
101.02446	0.8
108.04584	0.5
112.56104	0.4
112.82932	0.4
113.02438	1.0
119.05014	1.1
134.03665	0.8
135.04497	1.0
135.08138	0.6
136.07658	0.6
137.06042	0.7
145.02948	1.0
149.06088	4.1
150.06845	42.9
150.19934	0.4
151.07254	1.5
160.01686	0.5
161.02385	1.7
161.09708	0.8
162.06857	0.6
163.03967	3.6
163.07635	9.2
164.08401	9.2
176.08377	1.3
177.09192	0.8
177.86069	0.4
178.09956	2.3
179.03500	0.8
179.10759	17.7
180.11093	0.8
193.05057	0.7
193.08714	0.6
225.10281	0.6
257.08383	0.5
257.12976	1.4
267.11337	0.8
285.20859	0.5
327.25269	1.1
329.23294	12.2
330.23651	1.2
368.31436	0.5
388.16757	0.4
391.08130	0.4
436.18826	0.8
447.34619	0.5
448.32010	3.8
449.32315	0.5
462.33392	1.0
463.34070	5.9
464.34229	0.7
490.32980	1.6
491.33585	3.8
492.34158	0.7
494.32401	1.1
508.33981	4.7
509.34747	30.4
510.35226	3.9
595.22089	2.1
608.24518	1.0
639.20642	0.5
653.38806	0.5
671.40045	100.0
672.30798	0.6
672.40424	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	671.4005
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03436	0.5
59.01362	1.6
59.89944	0.3
61.98822	0.9
62.24488	0.4
65.16658	0.4
70.41096	1.0
71.01369	1.1
85.02922	2.3
96.95985	1.6
113.02389	0.6
133.02901	0.5
135.04462	0.4
135.08144	0.5
146.49365	0.4
149.06041	2.8
150.06842	21.8
151.07231	0.9
161.02402	1.6
162.06841	0.6
163.07619	14.2
164.08374	3.0
176.08380	1.5
177.09190	0.8
178.09932	1.4
179.03508	0.8
179.10730	6.7
209.11693	0.6
237.65398	0.4
285.20584	0.5
327.25491	2.9
329.23221	3.7
430.30750	0.5
445.33432	0.7
446.34067	0.5
447.34625	0.6
448.31747	3.5
462.33395	4.2
463.34268	6.5
464.34201	0.9
490.32965	5.4
491.33478	3.2
508.33932	9.1
509.34720	21.9
510.34882	3.6
671.40015	100.0
672.40405	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07160	0.7
61.98825	1.4
65.00335	0.9
83.01386	0.8
88.98806	1.6
98.20624	1.8
107.01387	2.0
109.11610	0.9
119.05080	1.0
121.02936	1.7
135.04480	2.4
151.00337	8.5
161.02405	2.2
163.00366	2.2
178.99823	4.2
179.03429	1.0
204.51814	0.7
226.02933	0.9
227.03316	1.1
243.02956	6.4
245.04483	0.8
254.02211	1.1
255.02954	21.4
255.05678	1.3
256.03293	1.5
271.02448	42.1
272.02893	4.1
283.02325	0.9
299.01950	1.1
300.02710	77.1
301.03424	33.8
302.03671	2.3
310.96860	0.8
343.94272	0.9
406.49594	0.7
453.65399	0.7
464.63385	0.7
609.14478	100.0
610.14801	16.8
610.22510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85896	0.5
51.85924	0.4
54.92749	0.5
59.01374	4.3
61.98823	40.9
71.01385	3.1
72.99319	0.5
73.02947	1.0
85.02946	2.1
89.02448	1.2
93.03465	0.7
96.95995	0.9
99.00900	1.1
101.02442	1.9
107.03793	0.6
107.05026	1.9
109.39735	0.5
113.02426	1.2
117.03421	1.0
119.05042	0.5
122.06085	2.1
132.02164	1.2
133.02948	14.2
133.03972	0.7
134.03760	5.7
134.06071	0.7
135.04509	89.6
136.04814	2.6
136.07661	0.6
141.01706	0.7
150.06839	1.8
151.07161	1.0
152.07172	2.8
161.02420	43.0
162.02744	1.8
163.03989	1.3
166.65952	0.5
179.03474	47.7
180.03810	2.1
193.05138	0.6
213.10168	0.6
240.20824	0.5
251.05699	0.5
257.12903	1.1
258.13446	0.6
265.09744	0.6
267.11264	1.1
278.06860	0.5
279.07849	0.7
285.04092	0.5
293.09238	1.7
294.09943	0.8
295.10913	0.9
307.10767	0.7
337.08398	0.9
352.05093	0.4
460.18704	0.9
504.17700	0.8
508.33655	0.7
509.34158	1.1
518.19324	2.2
550.21771	2.2
552.23492	0.8
565.24335	2.6
596.21832	1.0
597.25806	0.5
609.25397	100.0
610.25763	17.4
640.21423	0.7
641.26263	5.5
671.39093	3.5
672.24139	0.8
672.39490	3.7
673.28534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70924	0.5
57.03446	0.6
59.01371	7.8
61.98822	7.9
63.99234	1.2
65.02469	0.6
66.97138	0.6
67.01875	0.7
71.01374	9.1
72.88922	0.5
73.02945	0.7
85.02943	7.8
85.44495	0.5
85.55428	0.6
89.02431	4.3
89.03913	0.7
93.03444	1.0
95.01395	2.7
96.95975	0.5
101.02431	2.4
113.02437	17.2
113.03230	1.0
117.03467	1.8
119.03490	0.9
119.04965	1.1
123.04497	3.1
132.02161	7.8
133.02939	22.2
134.03757	8.1
135.04523	14.2
136.04832	0.6
145.02953	2.6
149.02396	1.4
149.06052	2.5
150.03250	0.7
153.05562	4.8
155.10730	1.1
160.01633	34.8
161.02419	81.6
162.02760	3.8
163.03976	1.4
164.04794	1.8
165.05591	0.6
173.04491	2.3
174.04832	1.0
175.03969	36.0
176.04350	1.7
178.02704	0.6
179.03484	2.2
179.07063	0.7
193.05029	7.0
223.06114	2.3
239.19383	0.6
296.08502	0.6
315.10791	1.2
461.16550	7.7
462.16745	0.6
466.98117	0.7
498.20099	1.4
499.20749	1.7
610.21179	0.6
637.21252	100.0
638.21631	16.9
673.26569	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62920	0.6
59.01375	4.1
61.98811	0.7
64.54508	0.6
67.01884	6.8
68.99809	0.7
70.46473	1.4
70.46809	0.6
71.01385	0.9
80.29246	0.6
81.07092	2.1
83.05020	0.7
89.02430	0.9
96.95988	1.4
99.04513	8.7
101.02436	6.9
105.07086	1.0
111.00877	1.9
113.02422	0.9
127.04006	12.2
135.04451	1.1
137.02412	3.5
137.06067	1.0
139.00322	1.2
141.01761	0.7
161.02402	1.5
161.12100	1.2
161.13339	13.0
162.13702	0.9
173.04463	0.7
179.03474	2.0
188.68294	0.7
205.12306	100.0
206.12631	6.7
209.11858	0.9
243.08707	2.4
249.11272	4.8
284.08801	0.6
289.10718	1.0
291.08737	13.3
292.08939	1.2
391.14133	3.6
392.95486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2854
Annotation	tetrakis(o-aminophenyl)porphyrin
Peak:m/z	Relative Intensity
59.01374	4.6
60.07496	0.6
61.98839	3.5
71.01375	3.2
73.02946	1.8
79.05557	0.6
85.02942	1.8
89.02460	1.7
91.05525	0.9
95.01373	0.6
96.96008	2.4
98.19808	1.2
99.00877	0.8
101.02450	2.4
104.47632	0.6
107.05034	2.3
111.00864	0.6
113.02466	1.5
117.03465	1.6
119.05022	0.9
123.43522	0.6
132.02148	1.0
133.02940	19.9
134.03741	9.1
134.06035	1.0
135.04504	100.0
136.04840	3.7
161.02420	45.4
162.02765	1.9
163.04056	3.4
163.05252	0.6
179.03467	57.2
180.03770	1.9
193.05052	1.2
240.58134	0.6
241.57190	0.6
332.87173	0.7
471.12769	0.7
540.53302	0.6
564.18622	0.7
613.39709	0.8
673.28491	71.8
674.28772	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	673.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62920	0.6
59.01375	4.1
61.98811	0.7
64.54508	0.6
67.01884	6.8
68.99809	0.7
70.46473	1.4
70.46809	0.6
71.01385	0.9
80.29246	0.6
81.07092	2.1
83.05020	0.7
89.02430	0.9
96.95988	1.4
99.04513	8.7
101.02436	6.9
105.07086	1.0
111.00877	1.9
113.02422	0.9
127.04006	12.2
135.04451	1.1
137.02412	3.5
137.06067	1.0
139.00322	1.2
141.01761	0.7
161.02402	1.5
161.12100	1.2
161.13339	13.0
162.13702	0.9
173.04463	0.7
179.03474	2.0
188.68294	0.7
205.12306	100.0
206.12631	6.7
209.11858	0.9
243.08707	2.4
249.11272	4.8
284.08801	0.6
289.10718	1.0
291.08737	13.3
292.08939	1.2
391.14133	3.6
392.95486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.7
61.98829	2.7
69.15675	0.7
71.01382	3.5
73.02942	1.4
89.02424	1.2
91.05522	0.9
93.03411	0.7
96.95999	1.6
99.00854	1.1
101.02463	1.6
101.85349	0.7
107.05019	2.3
113.02388	0.9
117.03417	1.1
132.02122	1.0
133.02942	19.4
134.03740	10.6
135.04507	100.0
136.04849	3.1
147.23938	0.7
151.72218	0.8
161.02419	47.6
162.02777	2.4
179.03473	52.8
179.46170	0.9
180.03838	2.0
185.31245	0.8
187.42314	0.8
188.35847	0.7
271.34711	0.8
284.03259	1.8
285.03940	4.9
371.55441	0.8
413.10733	1.5
472.35251	1.6
473.35355	1.5
544.04346	1.0
673.28485	70.2
674.28864	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	673.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.6
61.98825	9.4
71.01404	2.0
71.62993	2.1
80.05055	11.4
86.80048	1.8
87.00818	1.5
87.50646	1.5
92.05056	1.4
94.06600	3.9
95.07555	1.6
96.96006	24.7
104.05026	4.1
106.06604	7.6
107.03765	9.3
108.08215	1.8
119.05024	2.3
121.38857	1.6
122.06109	57.7
123.06457	2.6
130.06596	2.8
132.04553	2.9
134.03705	1.5
134.06129	15.7
135.04480	2.6
136.07623	2.4
139.02719	2.0
146.06165	2.4
148.04031	4.5
149.02376	2.2
150.05611	2.9
152.07156	87.3
153.07495	3.4
160.03989	3.3
160.06325	2.1
161.02435	2.9
162.05553	1.7
163.03934	2.4
174.05554	5.2
180.06604	4.9
188.07121	6.8
193.05106	3.0
198.12814	1.7
211.08742	5.0
213.10312	16.3
223.06088	2.2
223.12480	1.5
225.10207	7.1
226.10994	2.6
227.11821	2.3
237.10268	3.3
238.07433	1.7
239.11845	17.2
241.13429	5.7
243.06656	1.6
245.12933	9.8
249.10254	2.2
250.07484	2.8
251.08434	2.4
251.11813	3.5
252.08949	4.1
253.09776	9.5
254.10364	2.7
263.08136	2.3
265.09808	8.0
266.10593	2.7
267.11307	4.6
277.09705	3.3
278.06985	3.3
278.10464	2.6
279.07663	6.7
279.11246	4.2
280.08325	1.9
285.03885	3.2
285.12375	26.8
292.08496	2.3
293.09238	21.4
293.12881	6.8
294.10156	7.9
295.10843	21.3
296.11469	2.7
297.12247	2.2
306.10159	4.2
307.10760	8.3
309.12469	2.6
313.11880	5.8
323.10318	6.7
325.11893	2.4
332.17657	3.2
337.08206	11.9
338.08856	2.4
340.14529	2.0
343.13068	2.2
344.13986	1.9
355.12955	2.0
356.17767	2.9
357.14508	2.1
358.15704	12.4
370.11652	2.1
382.15359	1.8
384.13330	3.6
385.14026	2.5
398.15091	2.0
400.16602	14.3
401.17169	2.9
412.16547	4.5
417.16656	2.9
418.17819	2.3
431.18677	2.3
432.19104	6.6
433.19098	1.9
444.15509	3.1
459.17883	7.9
460.18762	16.1
462.16696	2.9
463.17328	8.1
474.20236	5.5
476.18265	4.1
478.19708	6.8
486.16385	1.6
497.25327	2.5
503.16638	2.9
504.17706	16.2
505.18152	3.8
518.19250	20.6
519.19940	1.8
521.25562	2.0
523.23486	7.5
524.23468	2.3
536.20184	10.5
540.40350	1.5
550.21930	31.8
551.22150	5.2
565.24506	47.4
566.24915	8.0
597.27344	7.0
600.91528	1.8
609.23474	56.5
610.23804	10.8
637.37469	3.6
641.26141	74.7
642.26740	16.4
673.28693	100.0
673.40375	4.6
674.29102	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22310	0.6
59.01420	2.9
71.60406	1.4
80.05048	7.7
88.21764	0.6
94.06689	2.1
96.96066	2.6
104.05129	2.7
106.06618	5.2
107.03075	1.4
107.03748	6.7
120.04592	1.5
120.08243	1.4
121.05354	1.2
122.06106	48.9
123.06477	1.2
124.07767	1.1
127.63528	1.0
132.04639	2.1
134.06087	10.9
136.07715	1.2
137.08186	0.7
139.02815	1.6
146.06213	0.8
148.04056	3.2
150.05667	1.5
152.07152	59.9
153.07616	2.7
158.06233	1.1
160.04015	0.9
160.06494	2.0
160.07750	0.7
161.02470	0.9
161.04964	0.9
162.05675	1.0
164.03148	0.8
164.07164	0.9
166.05276	0.7
174.05569	4.1
180.06763	2.0
186.05630	1.1
188.07156	7.1
189.07672	0.7
190.05176	1.9
211.08838	2.5
213.10300	12.4
214.10704	0.7
223.08710	1.6
224.09451	1.3
225.10287	4.3
226.11140	2.1
227.11989	2.6
235.08643	0.7
236.09402	0.8
237.10495	2.4
238.07457	1.0
239.08339	1.4
239.09445	1.0
239.11833	11.8
239.13979	0.8
241.13443	8.3
242.14008	0.9
245.12935	9.3
249.06651	0.9
249.10428	1.9
250.07533	2.5
251.08278	2.2
251.11862	3.2
252.09100	1.5
253.09773	5.7
254.10355	0.8
263.08307	2.2
264.08984	1.4
265.06827	1.2
265.09894	6.1
266.10605	1.9
267.11386	4.1
269.12881	1.0
277.06561	0.8
277.09866	3.6
278.07086	4.2
278.10666	3.0
279.07800	7.1
279.11328	2.6
285.12408	24.4
286.12836	2.6
291.07809	1.5
292.08603	2.0
293.09399	17.1
293.13007	7.9
294.10065	7.1
295.10794	15.4
296.11124	1.9
303.66791	0.7
306.10208	2.3
307.10745	6.3
308.11554	1.1
309.09180	0.7
309.12463	2.2
313.11826	4.5
316.14417	1.0
323.10342	6.3
325.12070	2.8
328.10898	1.2
330.12311	0.7
330.16275	0.9
332.17728	0.8
337.08215	9.5
338.08871	2.1
339.09665	1.9
342.12595	1.1
343.13303	1.2
344.14075	0.9
351.10056	0.9
355.12994	1.8
356.13855	1.4
356.17825	1.2
357.14890	1.9
358.15527	9.7
359.15967	1.2
362.18088	0.7
369.14691	0.8
370.11841	1.0
372.17239	1.0
382.15747	1.0
384.13507	2.3
385.14282	2.1
398.15076	0.9
399.15668	1.4
400.16614	11.3
401.17044	1.6
402.14505	0.9
412.16721	4.0
413.17081	0.8
417.17047	2.0
418.17581	1.5
430.14023	1.5
431.18585	1.3
432.19220	2.5
440.16431	1.1
442.17581	0.9
444.15729	2.3
458.17249	2.8
459.17776	5.0
460.18692	8.8
461.19144	1.8
462.16476	1.6
463.17099	1.6
474.20706	4.8
476.18228	4.1
486.16733	2.2
497.25662	0.9
503.16742	3.4
504.17545	17.0
505.18109	1.9
518.19238	17.7
519.19635	3.3
523.23517	3.0
535.19232	0.8
536.20349	3.2
537.25244	1.6
550.21906	16.2
551.21826	1.1
565.24463	57.2
566.24689	10.7
594.72070	0.7
597.26898	7.8
598.27734	1.8
609.23450	31.4
610.23895	5.6
623.25397	0.8
641.26068	100.0
642.26324	24.7
673.28687	22.4
674.29041	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	675.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39312	0.6
53.90319	0.6
58.72929	0.6
59.01366	3.1
62.20149	0.6
62.72052	0.6
70.12510	2.6
85.02946	7.3
87.00877	0.8
89.02457	0.9
93.03453	3.4
95.01357	1.3
98.20574	0.7
109.02934	1.9
113.02431	8.0
116.01500	0.7
119.05031	1.5
119.15570	0.7
119.33025	0.7
123.04522	6.9
127.01496	0.7
127.04005	1.7
132.02170	1.1
133.02939	19.8
134.03374	0.9
135.04518	15.2
136.04773	0.7
137.02469	1.0
145.02979	1.1
150.03223	4.2
151.02853	1.0
151.03993	13.5
161.02425	64.0
161.69835	0.7
162.02788	2.6
163.04002	1.7
173.04501	1.9
177.05493	0.7
179.03473	18.0
180.03815	1.0
191.05583	100.0
192.05916	3.7
239.09218	0.9
289.12723	0.7
337.09244	25.5
338.09464	1.6
373.93027	0.7
529.15594	2.1
621.18207	10.1
622.18634	1.6
639.19208	40.5
640.19482	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	675.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15337	0.4
59.01371	1.2
60.99277	0.9
63.01357	0.4
67.01887	4.1
67.33334	0.4
69.03452	1.0
69.52234	3.2
71.01359	1.8
81.88927	0.4
83.05019	0.6
85.02943	4.2
87.00878	4.2
93.03447	22.8
94.03770	0.6
95.50671	0.4
98.19803	0.9
99.04471	0.6
109.02904	0.5
109.71897	0.5
111.04524	3.3
113.02374	0.6
119.05004	8.2
121.58855	0.5
127.03968	1.2
135.04573	0.5
137.02449	0.8
145.02917	1.0
155.03491	1.2
163.03983	8.9
173.04515	28.5
174.04871	1.0
190.19460	0.5
191.05577	100.0
192.05896	3.1
289.07117	0.6
307.56149	0.5
321.02164	0.4
337.09247	34.0
338.09650	3.0
416.01895	0.6
457.18399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21862	0.2
53.77262	0.2
59.01382	1.2
67.01861	0.5
70.03558	0.7
71.01366	1.6
73.02948	0.3
73.11872	0.2
83.05017	0.2
83.34891	0.2
85.02938	6.4
85.59794	0.2
87.00862	1.3
93.03450	2.7
95.01403	0.3
98.20575	0.3
109.02934	0.8
111.04510	0.9
113.02431	1.6
117.03450	0.4
119.05029	0.8
119.15437	0.2
123.04504	1.4
127.03997	1.7
133.02956	4.5
135.04512	3.4
143.03485	0.2
145.02921	0.6
146.43309	0.2
149.02449	0.3
150.03186	0.9
151.03976	2.9
155.03444	0.4
155.19058	0.2
161.02431	12.8
162.02766	0.7
163.03992	1.5
171.02966	0.5
173.04523	1.6
179.02028	0.4
179.03479	4.2
180.03796	0.2
189.40868	0.2
191.05592	100.0
192.05956	3.7
223.68814	0.2
239.09187	0.4
264.40454	0.2
337.09238	26.8
338.09549	2.8
487.14554	0.3
529.15424	0.3
621.17993	2.5
622.18781	0.7
639.19098	7.7
640.19714	1.3
695.00751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69951	0.2
57.02546	0.3
59.01367	1.0
67.01907	0.3
70.02625	0.5
70.02972	0.7
71.01369	1.3
83.05042	0.2
85.02939	5.7
87.00866	1.2
93.03447	2.9
109.02952	0.5
111.04517	0.8
112.46924	0.2
113.02420	1.3
117.03420	0.3
117.75807	0.2
119.04959	0.5
123.04504	1.0
127.03986	1.8
133.02934	3.2
134.03293	0.3
135.04549	2.3
145.02905	0.7
150.03194	0.7
151.03995	1.6
161.02426	8.7
162.02792	0.3
163.03992	1.1
171.02942	0.4
173.04535	1.0
175.86661	0.2
179.03481	3.2
191.05585	100.0
192.05933	3.4
285.58200	0.3
337.09225	26.9
338.09637	2.2
472.21756	0.2
529.15778	0.3
621.17914	2.2
622.18756	0.4
639.19196	6.0
640.19501	1.1
642.22668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04553	0.8
56.81843	0.7
57.60066	0.7
58.00596	1.2
59.01094	1.5
59.01374	20.6
59.44920	0.7
71.01370	13.6
72.99298	1.5
73.02931	1.2
85.02937	5.2
87.00838	0.8
89.02438	15.1
90.81343	0.8
91.80807	0.8
93.03431	1.7
95.01377	3.2
96.96008	2.8
98.20621	2.0
101.02425	11.3
113.02441	5.9
119.03481	6.3
119.05036	0.7
123.00872	25.1
123.04487	7.1
124.01215	1.0
134.03722	2.2
135.04517	29.6
137.02423	1.9
138.03207	33.1
139.03558	0.9
152.04683	0.8
153.05562	23.3
154.05850	1.4
166.99820	10.0
169.59207	0.8
173.04555	1.3
182.02191	33.6
183.02489	1.3
191.05582	12.8
193.05046	1.4
197.04518	75.7
198.04865	2.9
315.10812	100.0
316.11176	6.6
320.98877	0.8
327.08371	0.8
349.15149	1.1
359.09793	22.5
360.10275	2.1
367.10248	0.9
375.12906	2.3
431.87753	0.9
501.88409	0.8
675.19348	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	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.2
60.99305	1.1
61.98820	10.5
66.31142	1.1
71.01379	3.7
73.02925	1.4
73.83345	1.2
79.95732	4.0
80.05042	5.7
85.02942	1.5
86.15555	1.2
88.98785	8.4
89.02427	2.0
94.03005	2.9
94.06612	1.2
95.01395	1.1
96.95999	100.0
101.02433	3.3
106.06654	1.8
107.03760	2.8
108.04560	1.8
109.02936	6.5
110.02485	1.3
113.02441	2.9
116.92806	2.0
120.08173	2.3
122.06099	19.3
124.04015	3.3
132.04555	1.7
133.02963	3.4
134.03711	1.6
134.06090	4.7
135.04527	6.7
136.04004	3.9
137.04784	1.6
138.05598	4.3
145.02908	2.2
147.05650	2.1
148.04050	1.5
149.02341	1.4
150.03209	1.2
150.05586	9.5
152.07155	30.3
152.08397	1.7
153.01894	6.8
160.01631	2.1
160.03993	1.2
161.02411	6.9
165.05560	1.7
174.05624	2.6
175.03900	2.2
179.03470	3.2
180.03975	1.1
186.12772	1.2
190.05057	2.9
193.04979	1.5
201.10312	10.5
211.08672	1.6
213.10265	4.6
227.11848	3.2
229.09805	12.1
229.13437	3.8
237.10367	1.4
239.11853	5.5
241.09720	1.3
245.12877	7.2
247.10870	2.4
255.11270	3.2
257.12921	3.8
265.09781	1.3
267.11389	2.0
273.12354	4.6
285.04077	3.2
289.11795	3.2
295.10938	1.9
301.11893	14.2
303.04993	1.0
313.11884	3.5
317.11359	1.3
319.12930	55.8
320.13300	4.8
323.10330	6.4
325.11798	1.4
327.13342	2.8
330.12756	1.2
344.13901	1.3
355.12872	2.6
356.13361	1.3
366.18195	1.2
374.15106	6.2
391.15274	3.2
391.37869	1.1
392.16010	7.5
403.14743	2.0
416.15982	4.2
418.13943	1.6
434.17035	4.7
531.26013	1.3
539.23462	1.7
557.23993	12.7
558.24451	3.2
581.23834	3.5
599.25018	54.0
600.25256	9.8
602.23096	2.3
625.22980	2.6
639.26990	6.3
643.23969	71.4
644.24286	14.3
675.26672	30.6
675.37689	2.9
676.26959	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	675.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.3
61.98825	5.3
64.85260	1.0
69.90053	1.5
69.90466	2.6
71.01373	1.5
78.95892	54.2
83.73033	0.9
89.02419	1.6
96.95982	1.5
96.96943	10.2
98.19911	0.9
101.02432	1.6
113.02444	1.2
138.88834	0.9
152.99573	71.0
153.99997	0.8
156.06329	0.8
171.00638	2.0
197.39317	0.8
223.00069	9.3
241.01131	20.3
259.02121	1.6
277.21658	39.8
278.22070	4.1
280.99368	1.8
315.04745	9.0
355.02811	2.6
397.13300	0.9
495.27661	0.9
593.27203	100.0
594.27533	16.4
605.92719	1.0
615.24384	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	675.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
59.01098	1.1
59.01373	19.8
61.98810	5.0
69.78387	1.8
69.78813	2.5
71.01376	17.3
72.99298	2.1
73.02924	2.8
73.09458	0.7
75.00848	0.7
78.91718	0.6
78.95893	53.0
81.03454	1.4
83.01376	2.6
85.02927	4.8
87.00854	3.9
89.02428	12.1
95.01366	1.2
96.95996	1.4
96.96955	8.8
97.02933	3.1
99.00886	0.9
101.02435	14.1
104.11320	0.8
113.02435	7.2
119.03490	4.0
125.02425	5.4
131.03450	0.7
143.03461	3.2
150.98006	0.8
152.99567	66.4
153.99835	1.0
161.04532	5.2
171.00542	2.0
178.96068	0.8
179.05632	3.3
216.23227	0.8
221.06619	1.5
223.00096	7.8
235.08195	6.8
238.89673	0.7
241.01169	16.9
246.87366	0.7
253.09099	2.0
259.02240	1.4
275.20203	1.3
277.21686	78.1
278.22049	7.3
280.99271	1.5
287.07721	1.4
297.05844	0.8
299.00485	0.9
305.08737	1.9
315.04849	7.4
323.09680	1.0
333.05817	1.2
337.01593	1.2
347.45663	0.7
355.02884	2.5
377.54883	0.7
397.13443	42.5
398.13589	2.0
415.14496	17.0
416.14691	1.2
437.01047	0.8
438.03952	0.8
504.14481	0.9
559.21521	1.1
593.27209	100.0
594.27557	17.0
615.24133	1.3
648.75684	0.7
675.36719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01098	0.8
59.01371	13.6
61.98821	4.1
69.03462	0.8
69.39614	2.6
69.40054	3.2
71.01377	11.0
72.99306	1.1
73.02926	1.5
74.59695	0.9
75.13935	0.6
78.95894	54.3
83.01363	1.2
83.66716	0.7
85.02925	2.3
87.00858	2.0
89.02420	8.6
96.95971	1.1
96.96946	10.3
97.02927	1.5
101.02430	7.8
106.92297	0.8
113.02430	3.5
119.03465	3.2
121.02962	0.7
125.02419	2.9
127.96358	0.6
131.03470	0.9
143.03441	1.0
152.99565	67.1
161.02428	1.5
161.04539	2.6
171.00597	1.9
178.95937	1.2
179.05646	1.5
184.10545	0.7
222.81471	0.8
223.00145	7.6
235.08141	3.3
241.01169	17.3
250.85222	0.8
253.09241	1.9
275.20157	1.0
277.21674	63.9
278.22055	4.6
280.99161	1.4
287.07767	1.2
305.08496	1.3
315.04880	8.1
323.09885	0.8
333.05914	1.2
355.02887	1.9
397.13367	22.4
398.13800	2.2
415.14566	9.5
553.63708	0.7
593.27246	100.0
594.27466	14.6
615.23608	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	675.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48949	0.3
59.01371	3.3
70.89230	0.5
70.89577	0.6
71.01381	2.7
73.02933	1.3
79.68135	0.3
83.01366	0.6
85.02959	0.9
89.02437	0.9
89.03988	0.4
91.05515	0.8
93.03435	0.4
96.96004	0.9
99.00862	0.5
101.02440	2.5
106.04259	0.4
107.05031	2.5
113.02454	0.6
117.03449	1.4
130.08728	0.4
132.02165	1.0
133.02945	17.4
134.03746	8.6
135.04514	100.0
136.04851	3.7
161.02434	40.8
162.02744	1.9
179.03484	52.0
180.03824	2.0
413.10486	0.4
675.30133	76.6
676.30438	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	675.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52579	0.4
54.47485	0.3
55.01875	0.5
57.43622	0.3
59.01365	1.5
59.73215	0.3
65.11608	0.4
70.69990	1.2
71.01367	2.6
73.02955	1.1
83.01362	0.5
85.02945	1.5
89.02433	1.0
91.05552	0.5
99.00838	0.6
101.02434	2.2
105.03459	0.5
107.05012	2.0
113.02441	1.1
117.03467	1.6
132.02176	1.0
133.02945	17.4
134.03740	8.0
135.04510	100.0
136.04832	4.1
146.02351	0.4
161.02428	44.5
162.02748	1.9
179.03474	52.6
180.03812	2.1
233.75528	0.4
278.53021	0.4
284.34634	0.4
351.26822	0.4
372.69479	0.4
675.30060	76.1
676.30389	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	675.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59720	8.6
58.67603	10.4
59.01374	46.8
61.98816	53.7
69.31246	63.4
69.31666	23.1
71.01369	28.9
73.02936	9.2
79.16848	8.5
80.77010	8.1
92.14732	9.6
94.72543	9.0
96.60738	8.6
96.95995	55.2
119.05036	15.7
120.22327	9.0
123.81341	9.1
128.29512	10.0
133.02962	18.4
135.04478	20.5
161.02426	33.1
163.04037	10.1
171.10358	19.8
285.20779	11.8
492.33905	12.0
541.23804	11.4
621.32642	42.9
639.33887	32.6
663.20618	10.3
675.30902	100.0
676.31372	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
61.98810	9.5
69.83614	9.8
69.84016	7.8
80.96485	9.3
85.05824	3.0
87.43703	2.7
88.72110	3.0
90.82374	2.6
95.98315	3.0
96.95998	7.5
117.03442	7.3
119.05011	4.5
128.86717	3.3
135.56737	3.6
139.69456	3.7
145.02937	34.1
163.03918	4.3
174.48174	3.7
277.21680	59.9
278.21832	5.2
286.42612	3.3
555.28314	21.9
556.28326	4.0
557.28699	3.8
617.38177	17.5
639.36676	8.4
675.34064	39.1
676.34253	4.5
693.13910	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	675.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.40719	0.3
56.09934	0.3
57.03438	1.3
58.00579	2.1
59.01371	41.2
60.01737	0.5
61.98818	1.6
67.01891	0.4
68.18528	0.3
68.99796	0.7
69.03440	1.8
70.02175	1.2
71.01373	39.4
72.01711	0.4
72.99296	3.2
73.02938	6.1
75.00853	0.9
76.28448	0.3
78.95892	10.8
81.03455	1.7
81.03862	0.3
83.01374	4.3
85.02939	8.9
86.00094	0.5
87.00865	9.1
89.02431	35.1
90.02796	0.6
91.04012	0.9
93.03493	0.3
95.01351	2.8
96.96947	1.9
97.02933	7.5
99.00887	2.4
99.04511	0.6
101.02429	32.0
102.02774	0.6
103.00348	0.4
103.04021	0.3
109.02945	0.9
111.00854	0.8
111.04492	1.1
113.02434	16.5
114.02747	0.4
115.03994	0.6
119.03490	9.7
121.02935	0.8
123.04488	0.5
124.01729	0.4
125.02429	14.6
127.04022	0.6
127.07600	0.4
129.01875	0.3
131.03490	2.5
133.05025	1.5
137.02516	0.4
139.04018	1.3
141.01909	0.5
143.03470	6.0
149.04547	1.2
152.99565	13.8
157.05142	0.3
161.04533	8.5
162.04880	0.3
167.03442	0.8
169.05066	0.6
171.00621	0.6
171.02925	0.5
179.05569	7.6
180.06001	0.4
181.05019	0.4
185.04514	0.6
185.43637	0.3
199.06143	0.7
217.07198	1.0
221.06606	2.8
223.00008	1.4
233.22595	0.5
235.08180	15.7
236.08511	0.8
241.01132	3.9
245.06651	0.9
253.09241	5.2
259.08380	0.3
259.20486	0.7
263.07614	1.7
275.20294	0.4
277.09509	1.4
277.21664	100.0
278.21997	9.2
287.07663	3.8
288.08267	0.5
305.08765	4.0
315.04767	1.5
323.09818	2.1
355.02887	0.4
361.11267	0.7
379.12531	1.5
397.13431	92.8
398.13721	7.4
415.14490	37.2
416.14722	2.5
488.60556	0.3
593.27167	19.5
594.27588	2.9
615.24353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03444	1.4
58.00594	2.5
59.01376	51.2
60.01708	0.6
61.98830	0.5
63.21910	0.2
67.32270	0.2
68.99803	0.6
69.03451	3.0
71.01378	41.4
71.05010	0.3
72.01708	0.3
72.99298	3.1
73.02944	7.6
75.00872	0.9
78.10573	0.2
78.95901	0.8
81.03467	1.6
82.28643	0.2
83.01385	5.0
83.05029	0.3
85.02429	0.5
85.02945	9.1
86.00057	0.4
87.00477	0.2
87.00871	9.7
89.02437	37.9
90.02781	0.5
91.04001	0.8
93.03450	0.6
95.01385	3.3
97.02943	6.7
98.19901	0.6
99.00868	2.6
99.04504	0.6
101.02437	36.4
102.02758	0.6
103.00373	0.5
103.04004	0.4
107.01374	0.3
109.02942	0.7
111.00867	0.5
111.04520	1.4
112.01627	0.2
112.78868	0.2
113.02439	16.9
114.02775	0.6
115.03991	0.9
119.02629	0.6
119.03490	11.0
121.02954	0.7
123.00877	0.5
123.04510	0.4
124.01669	0.5
125.02439	14.0
126.02773	0.3
127.03955	0.4
127.07631	0.3
129.01918	0.4
131.03479	2.1
133.05066	1.5
139.04019	1.0
141.01924	1.0
142.02797	0.3
143.03481	7.2
145.05017	0.3
149.04541	1.1
152.99580	0.8
157.05014	0.4
161.04543	8.3
167.03482	0.9
169.05048	0.5
171.02946	0.5
176.75819	0.2
179.03313	0.3
179.05592	7.4
180.06004	0.3
181.05042	0.3
185.04591	0.7
192.25087	0.2
192.79008	0.2
199.06079	0.8
203.05627	0.4
203.89569	0.2
217.07182	1.3
219.05045	0.4
219.92039	0.2
221.06613	2.3
233.22672	0.4
235.08197	16.1
236.08597	1.0
245.06630	0.8
253.09280	4.6
259.20554	0.6
263.07660	1.6
275.20239	0.6
277.09366	1.0
277.21689	100.0
278.22046	9.8
287.07697	4.4
290.67609	0.2
291.23273	0.4
305.08783	4.8
323.09738	2.0
324.09686	0.2
328.78436	0.2
349.81778	0.2
361.11453	0.7
379.12555	1.2
397.13455	94.4
398.13788	8.0
415.14517	37.8
416.14789	3.0
593.27246	1.4
594.27594	0.3
675.35004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1845
Annotation	(+)-alpha-Viniferin
Peak:m/z	Relative Intensity
55.27257	1.0
55.54731	1.0
59.01377	8.5
61.98779	0.9
65.00285	0.9
65.03970	1.0
67.01553	1.3
67.01884	21.0
68.99812	51.1
69.03446	16.0
70.00132	1.0
71.01368	1.7
71.61351	1.3
78.95893	63.2
84.95086	1.6
88.22185	1.1
93.03432	1.8
95.01360	3.9
95.05022	11.6
96.95986	3.6
96.96938	6.3
97.02930	1.2
99.04516	1.7
101.02431	92.0
102.02738	1.8
109.02914	1.1
111.00868	50.8
111.04493	1.0
113.02390	1.9
117.03430	0.9
119.05000	2.1
121.02925	3.1
121.06575	1.5
124.81714	0.8
125.02439	8.3
127.03999	46.2
128.04321	1.8
133.02870	1.1
135.04486	2.7
137.06067	10.6
137.45447	0.8
139.00356	17.8
139.03993	12.3
141.61794	0.8
143.03522	5.6
145.02922	2.6
149.02386	3.4
152.99565	45.5
153.01917	7.7
161.02350	2.9
171.00638	15.4
171.02965	13.5
179.03438	2.3
180.99217	1.0
213.01706	1.1
238.26431	1.0
241.01154	1.1
259.09717	26.0
260.09988	1.6
267.12067	1.0
291.08707	96.5
292.08975	7.0
315.04764	12.4
329.10101	1.4
331.04382	1.5
361.08704	1.7
361.12866	18.9
362.13190	3.0
427.24722	1.6
453.22092	1.0
515.22308	1.1
544.84039	1.0
677.18329	100.0
678.18518	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	677.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02267	0.5
57.03432	0.9
59.01371	6.8
67.25648	0.5
68.99829	0.5
71.01376	11.2
71.61931	0.7
72.99307	4.3
73.02943	1.1
74.57621	0.5
83.01375	0.5
85.02934	10.6
89.02431	4.7
93.05283	0.5
93.75627	0.6
95.01374	3.8
95.05013	0.6
96.96024	3.3
101.02430	2.3
108.02125	0.8
109.02921	1.9
113.02441	24.5
117.03468	1.2
119.03469	0.8
121.02965	0.7
123.04520	3.5
132.02119	1.7
133.02945	23.0
134.03444	0.8
135.04517	26.3
136.01688	0.7
136.04790	1.1
137.02429	24.9
138.02760	1.2
151.04042	2.4
153.05556	2.0
161.02425	100.0
162.02737	5.3
179.03481	8.7
191.05542	4.0
192.05902	1.2
197.04524	3.3
251.05594	0.8
297.09860	1.0
301.45367	0.6
315.10867	2.9
323.07608	0.5
337.09760	0.5
339.09787	0.6
461.16602	12.1
462.17224	1.4
503.17850	0.8
531.17303	0.9
623.19684	67.4
624.20099	10.7
641.20789	34.7
642.21222	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	677.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	0.5
59.01372	5.4
69.42986	3.4
69.43305	0.8
71.01373	2.9
73.02943	1.1
83.01376	0.5
85.02945	1.6
89.02457	1.1
98.19900	0.9
101.02427	1.0
113.02432	2.3
117.03451	35.5
118.03794	1.6
119.03622	0.4
119.05006	8.8
137.06053	1.0
143.05008	0.8
145.02931	100.0
146.03255	4.1
163.03995	5.7
169.72517	0.5
244.54710	0.4
262.19446	0.5
386.43427	0.5
395.14236	0.5
464.22165	0.5
487.18109	1.8
549.48773	0.4
633.21777	26.9
634.22198	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	677.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88116	0.2
59.01372	4.7
69.75626	1.0
69.76038	0.7
71.01367	2.5
73.02944	1.1
73.05069	0.2
76.27388	0.3
83.01379	0.3
85.02933	1.6
89.02428	1.4
89.03946	0.4
95.01404	0.3
101.02449	1.4
103.04014	0.3
113.02438	3.0
117.03449	28.9
118.03804	0.8
119.03538	0.3
119.05012	8.6
120.05293	0.4
125.02415	0.6
137.06061	1.5
145.02931	100.0
146.03270	3.9
163.03983	5.8
187.04059	0.4
338.98352	0.3
379.11407	0.3
384.19815	0.3
425.51407	0.3
445.17276	0.4
487.18027	1.0
633.21777	22.4
634.22217	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	677.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01373	14.6
61.98823	0.8
69.03448	0.6
71.01369	5.1
71.61077	0.6
73.02937	1.4
75.31691	0.3
78.95930	0.4
81.03452	0.5
83.01395	0.4
83.05006	0.5
84.97886	0.3
85.02925	2.4
89.02434	1.9
93.46519	0.4
95.01326	0.8
96.96000	4.2
101.02422	1.3
105.03474	0.9
107.05058	0.3
113.02446	3.5
117.03451	1.6
119.03485	0.7
123.04480	0.4
125.02412	0.9
127.03950	0.5
132.02147	2.2
132.03050	0.3
133.02942	33.5
134.03644	1.6
135.04520	4.9
145.03009	0.4
155.03514	0.8
159.11748	0.4
161.02422	100.0
162.02760	4.2
171.13603	0.3
179.03412	2.0
193.05014	0.6
203.05644	0.5
218.75294	0.3
223.13385	1.6
230.40631	0.3
247.10022	1.0
258.40067	0.4
265.06683	0.4
267.12286	1.1
302.93243	0.5
321.25848	0.6
365.24866	0.8
383.25870	1.3
409.23669	1.0
427.24969	2.0
429.17804	0.5
431.20129	0.4
432.24817	0.4
453.22461	0.7
471.24060	1.8
497.21832	0.8
515.22839	5.6
516.22772	0.4
591.20697	1.5
633.21796	39.9
634.22192	7.2
677.27997	3.0
678.29034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.9
67.01885	31.7
68.02201	1.0
68.99811	15.7
69.03449	8.7
71.01366	1.2
73.02921	0.9
85.02943	1.3
87.00893	0.6
89.02441	1.5
90.41045	0.7
93.03442	1.7
94.39070	0.7
95.05017	100.0
96.05350	2.3
96.95995	1.3
98.20714	1.6
99.04504	18.1
101.02432	32.3
109.03028	0.7
111.00869	37.1
111.04497	2.0
119.04987	0.9
121.02119	1.5
121.02943	19.2
123.04498	3.0
127.04002	64.7
128.04327	1.8
130.08743	2.3
133.02980	1.1
134.03722	1.1
135.04530	2.0
136.01697	1.7
137.02403	1.7
137.06070	3.2
139.00357	30.4
139.04004	20.9
140.00690	0.7
143.11887	2.3
147.04553	0.9
149.02388	1.4
150.03220	3.0
151.04010	3.1
153.05602	2.2
161.02438	3.7
163.04024	0.9
165.05534	9.6
169.08684	1.3
171.02974	1.1
173.04536	3.5
177.01817	0.8
179.03496	1.0
181.05043	11.2
186.07033	0.9
191.05595	9.7
192.05937	3.2
193.06117	2.1
195.06622	2.3
209.04512	5.5
213.07668	5.5
223.05951	0.8
229.11896	2.2
229.57036	0.8
240.40060	0.8
241.05132	1.5
241.07158	37.1
242.07545	1.7
256.07388	1.3
271.09747	2.1
273.09802	2.7
273.14526	2.1
319.11838	1.1
467.17093	0.9
485.14197	0.8
515.19312	1.3
623.19867	1.3
641.20959	1.8
677.20178	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	677.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03690	0.8
53.25169	0.7
57.03447	5.5
59.01371	100.0
60.01692	1.7
67.01868	1.9
68.99795	3.2
69.03446	2.3
71.01377	4.1
71.04996	0.9
78.95896	15.6
79.05490	1.0
81.07085	1.2
83.01360	1.0
83.05018	1.3
85.02936	2.7
87.00867	2.2
87.27619	0.8
89.02420	2.9
93.03398	0.9
93.65583	0.9
95.01402	0.8
95.05008	7.9
96.96005	1.1
96.96943	1.7
98.95567	0.9
99.04500	1.7
101.02427	6.0
107.04992	1.1
111.00867	7.2
113.02433	3.9
117.03426	3.1
121.02911	2.3
121.06602	0.9
123.16534	0.8
126.68727	0.8
127.03975	2.3
129.07024	0.8
129.91125	0.9
130.08694	0.9
130.51024	0.7
133.02992	1.1
135.04451	1.8
137.06068	1.2
139.00349	3.2
139.03973	3.3
145.02925	12.4
147.04466	0.9
149.02451	3.8
152.99570	14.0
159.11757	2.6
161.02368	2.4
161.09630	0.9
161.13306	2.6
163.03952	2.3
163.11263	1.2
171.00621	3.4
179.03471	1.6
181.04909	1.2
185.09689	1.6
195.06552	3.3
195.08270	0.8
196.06879	1.3
203.10715	2.7
205.12296	1.3
207.10228	3.1
215.45532	0.9
223.13348	84.5
224.13692	5.9
229.08432	1.0
247.09731	5.2
267.12326	37.7
267.15204	1.9
268.12726	1.8
275.09219	7.5
289.18231	0.8
291.08566	2.4
307.08160	6.7
315.04807	2.1
315.67856	0.8
321.25748	5.2
323.23633	1.1
345.09647	1.7
365.24765	3.7
366.24789	0.8
367.22607	1.0
377.12482	4.9
383.25821	2.8
409.15009	2.2
409.23889	2.4
427.24826	9.1
428.25140	1.2
453.22809	1.9
453.34277	0.8
471.23859	5.5
497.21814	3.2
515.22809	8.9
516.22955	1.1
633.21478	2.9
634.21564	1.0
641.39136	0.9
677.17871	8.9
677.28448	6.8
678.18768	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	677.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03448	1.2
57.49895	0.3
59.01371	5.5
61.98847	0.4
68.96207	0.3
69.03444	0.5
69.27032	0.3
71.01375	4.8
73.02928	2.6
75.12841	0.4
78.74739	0.3
81.03551	0.3
85.02941	1.4
85.12955	0.3
85.29789	0.3
87.00826	0.3
89.02448	3.0
89.03955	1.9
96.96006	0.6
97.02952	0.5
98.19827	0.6
98.95585	0.4
99.00875	2.2
99.04516	0.9
101.02436	3.9
106.04222	0.4
113.02450	1.4
115.01858	0.3
117.03457	5.2
121.02949	0.8
125.02422	2.1
128.03520	1.8
129.01909	0.4
131.03455	0.4
131.17575	0.3
132.02168	3.2
133.02942	9.5
134.03723	100.0
135.03967	3.2
137.02409	0.8
147.04501	0.7
148.05270	0.5
149.04375	0.3
149.04774	0.3
149.06055	10.2
160.01634	13.5
161.02423	25.2
162.02765	1.0
163.04002	0.5
168.49019	0.3
175.03969	12.9
176.04643	1.3
178.02657	1.7
179.03455	0.7
191.07104	1.0
193.05026	96.1
194.05360	4.7
195.06651	0.9
206.05858	1.3
207.06586	0.5
217.04939	0.8
221.08148	4.8
235.06039	10.3
235.08267	0.7
236.06450	0.9
265.07129	20.3
266.07468	1.3
325.09219	25.7
326.09540	1.7
350.78510	0.4
356.12692	1.0
367.10260	16.9
368.10504	1.6
371.14841	1.8
397.11298	11.2
398.11664	1.2
427.06522	0.7
427.12354	12.4
428.12695	1.4
453.61490	0.4
548.21442	0.5
633.21777	10.3
634.22198	2.1
639.26581	1.2
641.28192	2.0
659.25049	0.5
677.26422	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.8
61.98818	0.6
66.82683	0.4
69.03440	0.8
71.01386	3.3
71.62896	0.6
72.99264	0.4
73.02947	1.8
79.07936	0.5
79.76435	0.4
85.02939	1.1
88.64010	0.5
89.01934	0.5
89.02431	2.3
89.03958	1.9
95.01441	0.4
99.00878	2.0
101.02433	1.9
102.05575	0.7
102.32506	0.5
103.18646	0.4
113.02393	0.6
115.91140	0.4
117.03442	6.5
119.05027	1.8
125.02428	1.0
128.03528	6.9
130.08708	1.3
131.03496	0.9
132.02156	2.4
133.02892	0.8
134.03726	97.2
135.04027	4.1
137.02417	0.5
145.02939	1.3
146.04530	0.8
149.04741	0.7
149.06061	10.2
160.01636	11.8
160.07906	0.4
161.02274	0.5
163.03981	2.4
175.03976	11.8
176.04359	0.5
178.02689	1.2
179.03447	0.5
191.07097	0.8
193.05031	100.0
194.05341	4.4
195.06619	2.7
206.05894	0.6
207.06473	0.5
217.05188	0.5
221.08252	2.9
235.06078	6.6
242.10307	1.7
249.12465	0.8
265.07123	14.7
266.07352	1.2
325.09244	20.2
326.09552	1.4
367.10291	12.8
368.10379	1.4
397.11395	9.6
427.12433	11.0
427.17905	0.3
428.12766	0.8
487.14169	0.6
546.16180	0.6
548.21130	0.9
634.27112	0.5
639.39746	0.7
641.27917	1.1
659.24536	1.2
677.25476	8.6
677.36774	0.6
678.26160	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	677.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01374	5.8
61.98824	4.1
68.73016	0.4
70.02957	0.9
71.01369	2.8
71.62830	0.5
72.99329	0.4
73.02967	1.2
78.31387	0.4
85.02962	0.9
89.02458	1.3
89.03943	1.8
93.03465	1.1
95.07000	0.3
96.00930	0.5
96.96026	0.9
98.02473	0.9
99.00861	0.6
101.02421	2.0
109.02942	0.6
113.02447	1.0
113.03582	0.5
114.01987	1.0
117.03458	7.6
119.05015	19.7
120.05338	0.9
121.02918	0.5
128.03531	0.4
130.08746	0.6
131.04622	0.6
132.02174	2.8
133.02998	0.9
134.03726	79.5
135.04408	2.4
137.02428	1.1
139.08742	0.6
143.61748	0.4
145.02940	7.7
147.04514	1.2
149.06056	6.9
160.01643	8.6
161.02388	1.5
163.03992	32.8
164.04367	1.3
173.04533	0.6
175.03998	7.1
178.02699	0.6
179.03481	1.0
179.73984	0.3
193.05035	100.0
194.05333	4.7
195.06721	0.7
202.80974	0.3
207.09909	0.4
227.10245	0.5
262.48965	0.4
275.07477	0.5
275.74054	0.4
285.03958	0.6
287.05478	0.5
317.21072	1.4
469.12830	0.5
494.36664	0.4
503.31635	0.5
514.36456	0.4
555.67957	0.4
562.24548	1.4
639.25909	0.6
641.27539	0.6
677.28351	17.1
678.28442	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	677.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47017	0.7
58.32443	0.7
59.01363	1.6
61.98820	3.1
70.33432	2.5
78.95894	67.3
86.24818	0.7
86.80324	0.8
96.96955	9.5
140.99524	0.7
150.98019	1.6
152.99564	100.0
153.99892	1.7
154.79869	0.8
160.96216	1.6
171.00629	4.1
178.96001	2.1
192.97348	1.0
192.98853	3.5
204.97720	1.1
225.01715	3.7
234.99779	1.2
243.02666	4.7
246.99535	0.7
260.49014	0.8
261.01715	0.8
264.57938	0.7
265.00485	0.9
277.21710	12.6
278.22073	1.3
283.00754	2.6
317.06348	30.1
318.06772	1.7
334.92719	0.8
339.04492	4.9
357.05637	10.9
455.35275	1.5
595.28809	64.9
596.29315	9.8
617.26849	6.5
618.26880	1.0
631.87329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.3
61.98824	3.3
67.01871	0.5
69.87326	2.0
71.01369	3.0
73.02931	0.6
73.83083	0.3
85.02946	1.2
87.00861	0.6
88.04043	0.5
88.98782	1.6
89.02433	1.2
93.03439	1.0
96.96008	1.4
101.02414	1.9
113.02425	1.0
115.00366	1.4
117.03455	7.3
119.05009	57.3
120.05362	2.2
121.02943	1.0
122.17149	0.3
123.04481	0.4
131.46812	0.4
132.03012	1.5
133.02963	0.6
134.03720	8.4
135.04584	1.8
137.09622	0.3
139.08752	0.7
143.03458	0.4
143.92493	0.3
145.02928	18.8
146.03276	0.8
147.04478	0.3
149.06056	1.2
150.91032	0.3
160.01698	1.2
161.02420	1.3
161.04576	0.6
163.03986	100.0
164.04324	4.4
173.04579	0.9
175.04002	0.9
179.03519	1.2
191.03532	0.9
193.05011	10.6
193.06735	0.6
194.05305	0.7
195.06616	0.8
195.33464	0.3
209.48189	0.4
213.28642	0.3
232.56020	0.3
258.84369	0.3
285.04184	1.0
286.04492	0.9
315.18423	0.3
383.11502	0.4
546.42969	0.4
561.24792	1.2
562.23016	0.9
563.23724	0.4
633.26660	0.5
677.32092	25.2
678.32513	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	677.3165
Annotation	Toxiusol
Peak:m/z	Relative Intensity
59.01371	2.7
61.98826	0.4
71.01373	3.6
71.24090	0.5
71.24416	0.4
73.02916	2.1
83.01395	0.5
85.02915	1.7
87.96676	0.3
89.02441	0.8
89.03945	0.7
91.05534	0.7
93.03441	0.4
97.10447	0.3
99.00882	0.6
101.02426	2.3
105.03473	0.4
107.05006	1.9
109.99622	0.4
113.02451	0.8
117.03421	1.1
119.05036	0.6
132.02180	1.1
133.02937	18.7
134.03745	8.2
135.04506	100.0
136.04848	4.3
137.02432	0.4
161.02423	46.5
162.02736	2.3
163.03996	0.5
179.03471	54.3
180.03787	2.8
184.29666	0.3
600.93164	0.6
677.31647	73.9
678.32001	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	677.3166
Annotation	Toxiusol
Peak:m/z	Relative Intensity
59.01373	16.7
61.98820	6.2
69.41861	2.5
69.42280	1.9
71.01382	3.9
73.02937	1.6
82.77508	0.7
85.02947	2.1
89.02439	1.2
95.05048	0.6
96.96000	1.7
98.19916	1.3
99.00879	0.8
101.02446	2.7
107.05017	2.2
113.02438	1.4
117.03451	1.5
119.05064	0.8
121.02959	2.5
121.30564	0.6
132.02147	0.8
133.02937	17.6
134.03758	8.6
135.04506	100.0
136.04834	6.5
161.02414	45.0
162.02736	3.3
179.03473	54.7
180.03818	3.0
193.04964	1.2
209.04503	0.7
263.15857	0.7
473.35483	1.0
593.12659	0.7
617.39929	0.6
629.61096	0.7
635.26099	0.7
677.31622	77.3
678.31958	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	677.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35115	0.4
55.01862	1.3
57.03440	0.8
58.00606	2.2
59.01375	34.9
59.50827	0.4
61.98574	0.5
61.98830	6.4
63.95317	0.4
69.03434	1.9
71.01376	31.8
71.62271	0.6
72.99318	2.2
73.02940	6.1
75.00848	0.9
78.16328	0.5
78.95903	0.6
79.06245	0.4
80.96504	0.9
81.03434	1.7
83.01385	3.5
85.02947	7.0
87.00861	7.8
89.02438	29.7
91.04008	0.7
95.01396	2.7
97.02940	5.4
99.00867	1.4
101.02435	29.4
111.04523	0.6
113.02435	13.0
114.02794	0.5
115.03986	0.7
116.92847	0.5
119.03497	9.3
121.02945	0.6
124.01652	0.6
125.02426	12.0
130.81430	0.5
131.03506	1.2
133.05022	1.0
139.03938	0.6
141.01985	0.8
143.03497	5.6
144.51979	0.5
149.04524	0.8
161.04547	6.3
164.98656	0.6
167.03432	0.7
167.38547	0.4
167.92099	0.5
179.05585	6.0
185.04550	0.7
197.43925	0.5
208.67653	0.5
217.07082	0.8
221.06642	2.1
233.85374	0.4
235.08205	13.6
235.10585	0.7
245.06648	0.8
253.09224	3.2
263.07690	1.6
277.09204	0.8
277.21747	0.5
279.23251	100.0
280.23593	10.5
287.07632	3.0
305.08731	4.3
314.03204	0.5
323.09879	1.6
361.11435	0.7
376.71793	0.5
379.12375	1.4
388.47943	0.5
397.13452	86.4
398.13788	6.8
415.14523	32.1
416.14948	2.4
577.27307	1.3
579.26898	0.7
595.29651	0.6
635.63336	0.5
677.36969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64174	0.4
55.01857	1.1
57.03420	1.1
58.00586	2.0
59.01371	36.4
59.77821	0.4
61.98801	1.0
67.01849	0.3
68.99796	0.7
69.03443	2.3
71.01371	31.8
71.62330	0.6
72.88807	0.3
72.99314	2.3
73.02932	5.0
80.96507	0.5
81.03445	2.1
83.01371	4.1
85.02940	7.2
86.00077	0.7
87.00377	0.6
87.00864	7.6
89.02429	26.6
90.02805	0.5
90.21425	0.3
91.03969	0.9
92.64889	0.3
95.01382	2.4
97.02943	5.1
99.00889	2.2
99.04481	0.7
99.60948	0.4
101.02429	26.4
102.02715	0.6
111.00877	0.9
111.04466	1.2
113.02434	13.0
119.03485	9.5
121.02921	0.8
121.19418	0.3
124.01542	0.4
125.02436	11.8
127.03938	0.6
131.03458	1.7
133.05009	0.6
139.03947	1.1
141.01871	0.5
143.03470	6.7
149.04575	1.1
161.04535	6.8
167.03439	0.9
179.05582	7.0
185.04536	0.5
189.36455	0.4
199.06093	0.6
203.05501	0.4
217.07118	1.1
219.05006	0.6
221.06564	2.5
235.08173	14.6
236.08548	1.2
245.06569	1.3
252.01009	0.4
253.09270	3.4
261.22214	0.4
263.07590	1.5
277.09332	1.0
278.25839	0.4
279.23236	100.0
280.23563	7.9
287.07672	3.9
293.24628	0.5
305.08667	4.1
323.09766	1.9
379.12280	1.3
397.13440	82.6
398.13806	8.1
415.14490	35.5
416.14862	2.9
677.38477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.9
61.98824	26.8
67.04600	0.7
71.01357	2.1
71.62201	1.0
71.62598	1.0
78.95894	50.8
89.02409	2.3
96.96941	6.7
101.02422	2.4
105.62744	0.8
106.70490	0.7
113.02439	1.2
116.05054	0.9
118.06590	2.0
144.04524	1.1
148.07689	1.0
150.97932	1.9
152.99568	100.0
153.99864	1.3
161.04547	0.8
171.00630	1.9
176.07146	3.6
185.91316	0.9
196.35065	0.8
220.06136	8.8
231.35910	0.9
235.08107	1.5
237.84576	0.8
256.08395	0.9
277.21680	34.7
278.21936	3.6
278.24591	0.9
281.24823	8.2
397.13443	7.2
400.07834	1.6
415.14532	2.4
431.21854	5.6
432.21790	0.8
520.11884	0.8
596.28711	1.7
597.30188	2.2
678.30396	37.3
679.30743	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	679.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.3
62.46492	0.1
70.26112	0.3
78.95895	2.9
78.96352	0.2
79.95731	4.1
96.96003	100.0
96.96886	3.8
97.95954	0.5
151.07530	0.1
167.08871	0.1
173.04585	0.1
258.85831	0.1
263.12848	0.2
305.91217	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	679.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45487	0.5
59.01374	5.4
60.64310	0.4
60.99322	0.6
67.01880	3.2
69.03442	0.9
71.01369	4.5
73.02941	1.3
81.03436	1.0
83.05010	0.6
85.02951	4.6
87.00861	5.0
89.02434	1.8
93.03448	25.1
98.34493	0.4
101.02412	2.2
109.02937	0.8
111.04531	3.3
113.02426	1.3
119.03497	0.6
119.05019	9.0
127.04010	1.5
129.01926	0.7
132.02191	0.5
133.02933	12.4
135.04510	8.5
137.02469	1.1
145.02946	1.5
149.06104	0.6
155.03490	1.4
161.02426	55.4
162.02762	2.0
163.03981	8.5
171.02928	0.5
173.04523	26.4
174.04868	0.6
179.03467	18.2
180.03821	1.0
191.05585	100.0
192.05922	4.0
197.06145	0.5
202.66476	0.5
203.03494	1.5
204.43710	0.5
259.69806	0.5
281.06592	0.5
281.10278	0.9
323.13284	1.2
337.09232	32.8
338.09604	2.6
341.08713	36.9
342.09116	2.6
353.08853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23206	1.7
59.01374	73.4
60.80859	1.3
61.98812	3.9
69.03428	1.4
69.78065	8.9
71.01376	43.3
71.62347	1.6
72.99308	2.1
73.02939	17.3
81.03429	2.7
83.01377	4.7
85.02937	16.5
87.00861	5.5
89.02435	21.0
93.03444	6.4
95.01376	5.0
97.02908	3.6
98.20566	2.4
99.00883	3.6
101.02441	19.5
103.04021	3.1
109.02958	4.2
113.02443	35.7
117.03405	1.9
119.03513	7.2
119.05016	23.0
121.06598	5.5
125.02414	9.0
127.04005	5.0
130.45595	2.0
131.03470	1.7
133.02936	4.1
135.04472	3.6
137.06079	11.9
138.28798	1.4
143.03448	4.1
145.02916	6.6
155.03439	4.8
161.02425	7.3
161.04567	4.1
163.06134	1.8
165.05548	76.5
166.05870	1.8
175.03979	3.6
179.03386	3.7
203.05553	4.6
237.11533	7.6
249.07726	1.6
281.10291	9.6
299.11322	6.0
341.12350	7.0
427.16336	2.0
445.17032	10.8
446.17303	2.2
451.16019	2.6
469.17105	15.7
485.41122	1.9
487.18149	100.0
488.18713	12.3
593.22217	7.1
635.23303	40.8
636.24274	9.3
679.22351	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	679.2377
Annotation	Temoporfin
Peak:m/z	Relative Intensity
59.01368	2.2
61.98821	2.4
71.01380	1.1
72.99274	0.3
73.02946	0.5
85.02957	0.9
93.03452	1.2
96.95998	0.6
101.02416	0.6
111.94306	0.3
113.02430	0.7
117.03458	31.6
118.03819	1.2
118.20184	0.3
119.05014	14.5
120.05334	0.8
121.02945	7.7
122.06120	0.5
133.02847	0.5
133.06534	0.3
134.03728	3.5
135.04498	1.2
136.01611	0.6
137.02316	0.3
145.02937	100.0
146.03270	3.7
147.04459	0.9
149.02406	0.3
151.04015	0.4
152.07167	0.6
159.04489	0.4
160.01636	0.5
161.02408	0.6
161.06041	1.0
163.03995	11.6
164.04431	0.7
167.03384	0.4
175.03958	0.9
177.05528	0.3
179.03459	0.5
183.13872	0.5
187.03993	1.1
193.05029	4.6
205.05051	0.5
247.06003	0.6
277.99054	0.3
307.08191	30.7
308.08572	2.2
342.11069	0.6
356.12601	8.5
357.13284	4.2
371.14993	2.9
390.48608	0.4
611.24756	0.9
623.17017	0.4
643.27246	1.1
679.23773	37.7
680.24109	8.3
683.70648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94627	1.9
59.01376	18.5
61.98819	4.1
70.46003	5.4
70.46356	2.0
71.01396	3.2
85.02945	3.5
89.02462	4.6
94.06618	4.0
95.64783	1.7
96.96003	6.1
98.20546	2.1
107.03757	6.8
110.48491	1.9
113.02399	2.4
119.05091	1.8
120.08158	18.3
122.06104	58.5
132.04535	2.3
133.02945	2.1
134.06113	4.7
135.04517	4.0
144.80328	1.8
145.02890	2.4
152.07150	66.3
160.04007	1.8
161.02396	5.8
164.07120	2.1
190.05074	4.4
223.08759	3.9
223.13312	6.7
224.09518	3.6
237.10329	10.0
238.10904	3.4
239.11838	6.4
245.12794	2.0
251.08231	3.2
251.11844	3.5
260.12610	1.7
263.08347	3.8
264.08902	5.6
265.09732	5.8
265.12726	1.8
267.12234	6.2
277.09805	4.0
278.10266	2.0
279.11349	26.3
280.11981	6.7
291.11328	4.8
292.12149	2.5
295.10901	3.9
323.10300	6.0
324.10718	3.7
325.11975	3.1
360.17014	2.6
369.15247	3.7
376.20465	2.4
402.18216	10.3
403.18506	2.7
404.19714	2.8
429.17526	7.3
444.19064	6.2
445.19995	2.8
446.17773	2.3
448.18747	8.1
461.19189	2.5
487.16846	2.9
488.18228	9.1
489.18954	12.7
517.24188	4.6
520.20801	13.6
521.21155	2.6
567.25970	16.5
569.72778	2.1
611.24982	100.0
612.25452	20.0
643.27698	81.8
644.27747	18.5
679.29358	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	679.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.8
61.98815	0.9
67.01894	0.3
71.01371	3.8
72.99300	0.4
73.02931	1.3
83.01358	0.4
85.02943	1.1
87.00871	0.7
89.02435	3.2
89.03946	0.4
91.05534	0.7
93.03448	2.0
96.95998	2.3
97.02958	0.3
99.00867	2.4
99.04498	0.6
101.02460	1.6
105.03419	0.4
106.04263	0.4
107.04997	2.2
108.50088	0.3
111.04507	0.3
111.71184	0.3
113.02436	1.2
117.03472	1.4
119.05025	2.1
120.63564	0.3
123.04493	1.0
125.02428	0.4
131.03450	0.4
132.02113	1.4
133.02942	18.4
134.03748	8.2
135.04504	100.0
136.04836	3.9
137.02405	0.4
149.02370	0.3
149.04608	0.3
149.06079	0.3
151.07668	0.4
152.08397	0.5
153.09171	1.7
155.10789	0.4
159.83347	0.3
160.01610	1.1
161.02420	47.0
162.02751	2.5
163.04008	1.8
173.04573	0.5
175.03943	1.2
179.03471	55.7
180.03806	2.4
190.10109	0.3
191.05573	3.0
193.04965	0.4
197.08186	1.3
205.12267	1.5
254.07513	0.3
276.66711	0.3
293.46918	0.3
347.17181	1.6
353.08517	0.5
383.09961	0.4
413.10699	1.0
486.95987	0.3
638.01996	0.3
679.25897	80.4
680.26324	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	679.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.5
61.98823	0.6
67.74625	0.5
71.01367	4.0
73.02937	1.2
79.89695	0.4
85.02942	1.3
87.00853	0.7
89.02447	3.0
91.05499	0.7
93.03451	1.2
96.95988	2.2
99.00854	2.8
101.02448	1.1
107.05016	2.4
113.02428	1.1
113.23384	0.4
117.03450	1.3
119.05038	3.4
125.02428	0.6
128.45087	0.4
132.02168	0.8
133.02945	18.0
134.03743	8.6
135.04507	100.0
136.04826	3.4
137.02423	0.7
147.56468	0.4
152.08347	0.7
153.05626	0.6
153.09181	1.2
160.01588	0.9
161.02423	46.3
162.02768	2.8
163.04005	2.9
175.02516	0.7
175.03979	0.7
179.03473	56.6
180.03819	2.4
191.05574	2.4
193.04965	0.5
197.08250	0.6
205.12341	1.1
207.63313	0.6
268.10971	0.5
297.67599	0.5
347.16995	0.8
383.09811	0.6
505.16840	0.6
679.25922	79.7
680.26410	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	679.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76057	1.6
57.03410	1.6
59.01376	65.9
61.98823	13.3
63.49533	1.5
71.01350	4.6
72.55019	1.7
79.95728	4.2
82.06573	2.4
85.02937	5.1
91.05529	1.9
93.03432	4.1
96.96004	100.0
97.06567	2.6
98.95573	7.4
99.92580	3.5
101.02435	4.0
107.04996	1.8
111.00844	2.2
113.02424	3.3
113.06023	1.8
115.92065	3.7
116.05014	2.2
116.92846	2.3
118.05822	3.2
118.06624	47.6
119.05008	14.2
119.06953	2.5
120.04580	2.2
120.05375	2.3
121.02934	2.7
122.02533	2.2
123.04556	2.3
124.03987	2.6
126.96075	1.7
129.10300	3.6
130.08757	2.0
131.05000	7.7
134.03694	3.3
135.04462	5.8
136.20178	2.1
137.06068	6.3
139.08821	3.1
145.02942	3.8
147.04539	16.3
147.05635	2.5
151.08640	2.0
156.06639	14.0
161.02420	3.4
161.04506	2.4
162.05591	3.9
163.03998	18.3
164.04356	3.1
164.07147	9.7
165.05545	2.3
166.05077	2.4
178.05028	4.4
179.03421	2.1
190.05061	18.9
196.06044	4.6
206.04622	2.1
216.13898	12.8
243.14795	2.0
248.12910	3.3
249.12410	4.8
260.12799	7.4
261.12537	6.7
273.12384	2.0
277.15555	16.7
287.14056	5.9
291.13525	3.7
321.15787	1.9
353.18417	2.1
363.17136	2.0
397.17670	7.5
439.18628	4.8
499.20895	11.1
541.21729	3.0
577.25604	2.2
619.26489	8.7
619.38354	5.0
679.28662	87.7
680.28772	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	679.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
57.01707	0.2
59.01374	2.7
59.05801	0.2
61.98790	0.2
69.55751	1.4
71.01367	1.6
73.02932	0.8
76.62743	0.3
83.01356	0.4
85.02941	0.9
87.00890	0.3
89.02432	0.6
89.03979	1.5
97.22191	0.2
98.20568	0.4
99.00881	0.7
101.02443	0.9
103.03941	0.3
106.04259	0.3
113.02413	0.5
117.03448	5.4
118.03796	0.3
121.02917	0.5
132.02165	2.0
133.02945	0.3
134.03720	83.8
135.04013	4.3
137.02443	0.4
149.06064	7.2
150.06416	0.3
158.62868	0.2
160.01639	8.7
161.02086	0.8
161.04561	0.3
170.04826	0.2
175.02481	0.4
175.03973	6.9
176.04288	0.5
178.02666	0.6
179.03426	0.3
188.39098	0.2
193.05020	100.0
194.05342	6.1
195.05577	0.6
209.15456	0.3
244.96945	0.2
265.07071	0.3
325.09213	0.3
327.09808	0.3
344.70905	0.3
356.12518	0.8
369.10986	0.3
371.14966	1.3
485.23868	0.9
546.22546	0.3
679.29523	11.8
680.29840	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	679.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95214	0.3
58.23955	0.3
59.01369	2.1
60.51407	0.3
61.98831	0.4
69.40032	2.2
71.01370	1.5
73.02947	0.8
79.09893	0.3
85.02941	0.8
89.02443	1.1
89.03977	1.4
93.03471	0.5
96.96014	0.6
99.00871	1.3
101.02436	0.8
107.62749	0.2
108.02122	0.4
109.02966	0.3
112.98559	0.4
113.02436	0.5
117.03450	5.5
119.05016	22.7
120.05353	0.8
121.02902	0.4
132.02150	2.8
133.02942	0.7
134.03728	83.0
135.04010	4.4
137.02444	0.4
139.04021	0.4
145.02937	0.4
147.04526	0.4
147.24457	0.3
149.06053	6.9
150.06424	0.5
160.01640	11.7
161.02286	1.3
161.04510	0.3
163.03992	10.6
164.04630	1.0
173.02464	0.4
174.03159	0.6
175.03975	9.7
176.04289	0.6
177.05540	0.9
178.02634	0.5
179.03462	0.6
179.07132	0.4
193.05032	100.0
194.05373	5.8
195.05322	0.4
217.71329	0.3
249.05583	0.4
265.04886	0.4
293.04608	0.5
294.05185	0.3
300.39001	0.3
308.06955	1.2
309.07626	0.8
323.09280	0.9
337.09073	0.3
338.07861	0.3
353.10333	1.5
367.10309	0.4
395.11169	0.6
437.12415	1.0
471.13718	0.3
483.12900	0.8
485.14511	1.0
497.14655	1.8
515.15314	0.7
520.45752	0.3
641.28009	0.5
643.29303	0.4
649.18878	3.7
650.19531	0.8
661.18927	1.3
679.20300	1.1
679.29706	13.5
680.20453	0.4
680.30060	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	679.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76981	0.3
52.78740	0.3
54.55828	0.4
57.03463	0.4
59.01374	2.7
60.46956	0.3
61.98824	3.3
69.49178	0.7
69.49590	1.9
70.02972	0.4
71.01372	2.1
72.99304	0.5
73.02931	0.5
85.02949	1.3
87.00866	0.4
89.02427	1.1
89.03960	1.6
93.03444	0.5
96.96021	1.0
99.00877	0.6
101.02424	1.2
106.04227	0.5
109.02934	0.4
111.00896	0.5
113.02454	1.0
114.01925	0.5
117.03451	6.9
119.05006	1.0
123.04493	0.6
128.03523	0.4
132.02142	1.8
133.02953	0.8
134.03725	82.2
135.04106	2.7
147.04491	0.7
149.02397	0.3
149.06059	7.3
152.03477	0.4
160.01624	8.1
161.02452	1.7
161.04466	0.4
163.03944	1.1
165.05490	0.7
167.03496	0.6
175.03966	8.4
176.04280	0.5
178.02737	0.7
179.03456	1.2
193.05031	100.0
194.05371	5.5
285.03989	0.7
366.71906	0.4
485.23682	0.9
643.29419	0.4
679.29468	15.8
680.30682	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25279	0.2
55.58380	0.2
59.01372	2.1
64.76192	0.2
69.33069	1.9
69.33484	0.5
71.01383	1.7
73.02936	0.7
83.01361	0.3
85.02946	0.9
89.02428	1.6
89.03961	1.5
96.96004	1.3
98.20652	0.4
99.00885	0.7
101.02444	1.1
106.04237	0.3
107.30682	0.2
113.02437	0.6
117.03447	5.3
117.04255	0.5
119.05067	0.3
132.02158	3.6
133.02934	0.7
134.03726	83.8
135.03999	3.1
137.02466	0.4
149.06067	6.8
153.01813	0.3
160.01637	15.8
161.02199	1.6
164.04761	4.5
175.03984	15.6
176.04321	1.0
178.02736	0.5
179.03485	1.0
179.07117	4.8
180.07455	0.3
191.05687	0.3
193.05028	100.0
194.05376	4.7
198.59763	0.2
233.06769	0.3
235.06152	0.3
281.18961	0.3
337.09283	2.6
338.09619	0.3
341.12518	0.5
396.09213	0.3
415.48657	0.3
503.17917	0.3
517.17023	1.5
518.17633	0.3
679.29718	13.6
680.29828	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	679.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95214	0.3
58.23955	0.3
59.01369	2.1
60.51407	0.3
61.98831	0.4
69.40032	2.2
71.01370	1.5
73.02947	0.8
79.09893	0.3
85.02941	0.8
89.02443	1.1
89.03977	1.4
93.03471	0.5
96.96014	0.6
99.00871	1.3
101.02436	0.8
107.62749	0.2
108.02122	0.4
109.02966	0.3
112.98559	0.4
113.02436	0.5
117.03450	5.5
119.05016	22.7
120.05353	0.8
121.02902	0.4
132.02150	2.8
133.02942	0.7
134.03728	83.0
135.04010	4.4
137.02444	0.4
139.04021	0.4
145.02937	0.4
147.04526	0.4
147.24457	0.3
149.06053	6.9
150.06424	0.5
160.01640	11.7
161.02286	1.3
161.04510	0.3
163.03992	10.6
164.04630	1.0
173.02464	0.4
174.03159	0.6
175.03975	9.7
176.04289	0.6
177.05540	0.9
178.02634	0.5
179.03462	0.6
179.07132	0.4
193.05032	100.0
194.05373	5.8
195.05322	0.4
217.71329	0.3
249.05583	0.4
265.04886	0.4
293.04608	0.5
294.05185	0.3
300.39001	0.3
308.06955	1.2
309.07626	0.8
323.09280	0.9
337.09073	0.3
338.07861	0.3
353.10333	1.5
367.10309	0.4
395.11169	0.6
437.12415	1.0
471.13718	0.3
483.12900	0.8
485.14511	1.0
497.14655	1.8
515.15314	0.7
520.45752	0.3
641.28009	0.5
643.29303	0.4
649.18878	3.7
650.19531	0.8
661.18927	1.3
679.20300	1.1
679.29706	13.5
680.20453	0.4
680.30060	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	679.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.5
61.98820	2.9
62.23676	0.8
70.17010	3.1
71.01363	1.9
73.02914	1.0
79.33454	0.8
80.67373	1.0
81.65070	0.8
83.01398	0.9
85.02930	1.0
96.96001	4.0
101.02428	3.1
105.03468	1.3
106.68298	0.8
113.02425	1.7
121.02900	1.5
124.02942	0.8
128.85471	0.8
132.02145	11.9
133.02945	6.2
134.03735	6.6
149.06018	2.0
160.01643	55.4
161.02139	3.6
161.04552	1.4
175.03981	76.3
176.04285	3.6
177.01994	1.2
178.51241	0.9
193.05092	6.8
251.76854	0.9
436.70697	1.0
485.32465	1.2
501.32312	1.1
619.38300	7.9
620.38623	1.6
664.35510	1.2
679.38428	100.0
680.38708	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	679.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03426	1.3
58.00580	1.6
59.01374	38.5
61.11877	0.4
61.98824	3.2
69.03438	2.1
71.01376	34.5
72.01718	0.4
72.99302	3.2
73.02940	5.6
75.00842	0.8
81.03455	1.0
83.01382	4.0
85.02938	8.3
86.00066	0.4
87.00871	8.4
87.71615	0.3
89.02435	30.2
91.03967	1.0
93.03453	0.6
95.01390	2.4
97.02943	5.3
98.19832	1.3
99.00858	1.9
99.04493	0.7
101.02434	27.5
103.00376	0.5
103.04022	0.5
111.00835	0.4
111.04501	0.8
113.02437	13.8
115.04021	0.7
119.03493	8.8
121.02932	1.4
124.01593	0.6
125.02431	12.0
126.02769	0.4
127.04011	0.5
131.03482	1.9
133.05075	0.7
139.04021	1.0
141.01874	0.7
143.03497	4.9
149.04541	0.6
157.05003	0.4
161.04538	6.1
165.01839	0.9
167.03481	0.7
169.05092	0.5
171.02950	0.3
179.05571	5.7
185.04439	0.3
217.07109	1.1
219.05063	0.7
221.06599	2.0
235.08203	12.1
236.08456	0.5
245.06693	0.6
253.09244	3.0
263.07669	1.5
277.09143	1.1
277.21671	0.6
278.21854	0.4
281.24820	100.0
282.25168	9.5
282.28333	0.5
287.07690	3.6
295.26602	0.6
305.08743	4.1
323.09711	1.5
361.11237	0.6
379.12424	1.1
397.13449	89.9
398.13788	5.5
415.14508	34.5
416.14670	2.7
552.94519	0.4
679.39136	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	679.39
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99464	0.6
55.01866	1.1
57.03437	1.3
57.67678	0.5
58.00583	2.0
59.01375	36.8
61.98819	3.1
69.03447	1.5
71.01377	29.5
71.16734	0.7
72.99299	2.6
73.02639	0.5
73.02948	4.6
75.00884	0.8
81.03420	0.9
83.01390	3.5
85.02947	6.5
87.00867	7.3
89.02438	29.9
90.02708	0.6
91.03982	0.6
95.01399	2.6
96.95998	3.6
97.02944	6.0
97.56885	0.5
99.00875	2.3
101.02435	27.6
101.22675	0.6
104.73032	0.5
109.02959	0.7
111.04526	1.2
113.01680	1.0
113.02439	13.9
115.03999	0.8
119.03477	8.6
121.02918	0.7
125.02443	10.2
131.03496	1.9
133.05089	0.8
139.03984	0.7
141.02010	0.6
143.03484	5.6
149.04538	0.9
151.04076	0.6
161.04555	7.1
169.04912	0.5
179.05582	5.9
195.21552	0.5
199.83292	0.5
216.51144	0.5
217.07068	0.9
221.06659	2.2
235.08188	11.7
236.08762	0.5
245.06729	0.5
246.99992	0.5
253.09131	3.1
263.07562	1.0
277.09348	0.9
281.24826	100.0
282.25208	9.1
287.07611	4.2
295.26480	0.6
305.08765	3.8
323.09753	1.9
397.13449	87.7
398.13818	6.6
415.14508	33.6
416.14987	3.1
467.25851	0.6
679.39166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63715	28.3
59.01394	33.2
61.98813	100.0
78.14919	27.9
88.57327	32.0
95.62982	29.3
104.29176	27.7
112.98580	31.2
144.67290	29.4
190.91165	33.1
194.62427	31.5
194.96655	30.8
200.47838	35.4
203.28032	28.3
205.27997	31.3
238.53316	33.5
247.31989	28.4
298.84149	32.8
304.52292	32.8
358.03513	36.2
362.86554	36.9
423.07632	35.8
538.12152	36.8
551.00110	34.6
679.46619	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	679.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03416	0.6
59.01371	100.0
60.01706	1.2
61.98823	7.8
70.46800	1.9
71.01372	14.5
72.99307	1.1
73.02941	3.4
75.00872	0.7
75.32886	0.5
79.31173	0.6
83.01365	1.4
85.02946	4.9
87.00872	1.1
89.02433	10.6
95.01379	0.8
96.96008	1.5
97.02963	0.7
98.20558	0.7
99.00843	1.2
101.02418	9.6
113.02434	7.4
119.03481	5.2
119.05004	4.7
120.05370	0.9
121.02972	3.9
131.03510	0.7
134.03717	4.2
135.04507	1.0
139.60718	0.8
143.03470	2.9
145.02908	2.7
147.04541	0.6
149.04567	1.1
156.06645	1.0
159.03021	0.9
161.04533	15.3
161.05844	1.0
163.03978	6.6
164.04398	1.4
165.01942	2.0
173.04520	1.2
175.04007	1.4
177.12531	0.6
178.05093	0.7
179.03519	0.5
179.04178	0.7
179.05582	5.0
193.05049	3.3
194.29477	0.5
205.03593	0.7
216.13838	0.6
260.12836	0.8
285.04047	3.1
350.95914	0.6
441.18723	0.7
457.37457	1.7
619.42407	7.5
620.42462	1.8
679.29706	2.6
679.44556	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	680.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06292	0.1
58.40382	0.1
58.47207	0.1
61.98822	100.0
62.60895	0.1
69.12653	0.1
69.23949	0.5
69.24374	0.6
89.11066	0.1
89.31444	0.1
130.12373	0.1
137.37479	0.1
212.87704	0.1
442.52771	0.1
690.02112	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54765	0.3
59.01379	0.3
61.68855	0.3
61.98822	100.0
71.61938	0.5
135.98991	0.3
141.76836	0.3
145.03032	0.4
164.21561	0.3
307.81561	0.4
336.54639	0.3
407.04871	0.3
458.52081	0.3
617.38348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51839	0.1
61.98824	100.0
62.98517	0.3
70.89757	0.3
78.95898	1.3
108.91064	0.1
124.46727	0.2
152.99568	2.2
213.46213	0.2
279.23218	0.9
280.23526	0.2
353.87671	0.2
433.23795	0.2
599.66736	0.2
620.76935	0.2
680.32080	0.7
681.33014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99358	0.5
57.18877	0.6
59.01376	2.6
61.98825	1.2
62.43382	0.6
67.01881	0.6
68.99810	11.7
69.48261	2.8
69.48671	1.4
71.01381	2.5
85.02943	1.0
89.02442	1.6
89.03946	0.6
93.03415	0.8
96.95991	0.8
98.19820	0.9
101.02430	24.7
102.02846	0.7
105.03410	0.6
107.05028	2.3
108.02190	0.9
111.04469	0.6
113.02461	1.3
117.03464	1.9
119.05027	0.6
121.06631	0.5
123.04497	5.5
124.97231	0.5
125.02489	1.2
127.03991	0.6
132.02159	1.6
133.02945	18.2
133.10100	0.5
134.03752	9.7
135.04510	100.0
136.04849	3.9
147.04544	0.7
149.06105	1.0
150.03214	0.8
161.02428	45.8
162.02794	2.0
163.03949	0.9
165.05519	0.9
170.65337	0.7
173.04506	1.4
175.03944	1.3
177.01830	1.0
179.03474	61.5
180.03851	2.8
191.05606	3.0
193.05046	0.9
194.64964	0.6
221.04381	0.7
225.07657	12.1
265.07370	0.5
353.08682	1.3
371.87302	0.6
455.11819	11.5
456.12070	0.8
467.61984	0.6
489.16357	1.6
507.18344	0.8
519.16907	0.8
643.26044	0.7
649.17322	1.3
681.20154	53.5
682.20386	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	681.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01366	3.9
60.51875	0.4
61.98823	4.1
71.01370	8.2
73.02918	0.7
77.03950	0.4
80.45235	0.3
82.85403	0.4
83.01371	0.4
85.02943	9.5
87.00903	0.4
88.66216	0.4
88.98801	0.4
89.02431	2.0
89.03956	0.5
93.03465	0.5
95.01373	3.4
95.05039	0.5
101.02413	0.6
105.03445	1.8
107.05002	0.8
108.02155	2.2
109.02947	0.9
113.02438	12.2
117.03458	1.8
121.02957	0.6
123.04510	1.1
132.02147	4.1
133.02940	47.3
134.02353	0.4
134.03769	9.9
135.04507	47.3
136.01625	2.3
136.04826	2.4
137.02423	0.5
143.03500	1.2
147.00864	1.1
147.04527	0.6
149.02431	1.9
149.06088	0.9
150.03194	0.6
151.03998	1.3
152.01143	1.7
157.08701	0.9
160.01628	0.9
161.02419	100.0
162.02776	4.8
162.97664	0.5
163.00339	0.4
163.04071	0.5
164.01125	8.5
165.01863	1.2
175.04022	1.1
177.01892	6.4
177.05521	0.6
178.02519	1.1
179.03468	99.0
180.03819	5.8
181.01433	0.4
193.05016	16.4
194.05336	1.3
195.02953	1.7
195.22801	0.3
197.04556	0.6
198.73219	0.5
199.24129	0.4
203.03444	1.4
217.04980	0.4
219.03072	0.5
220.20918	0.5
221.04468	1.4
227.12958	0.7
228.13155	0.5
229.95575	0.5
233.04507	0.6
251.05530	0.5
299.58661	0.5
305.06522	0.8
323.07669	0.8
325.09201	1.2
469.13504	3.6
487.14499	4.7
519.17242	2.8
649.17566	8.9
649.27704	0.3
650.17645	1.7
681.20160	17.3
682.20032	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	681.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.7
60.12936	0.4
60.99302	1.7
61.98820	0.6
64.01949	0.4
70.61806	1.0
71.01371	3.1
72.63563	0.4
83.01386	0.9
85.02957	1.2
88.98793	10.4
89.02439	0.4
89.03966	0.4
90.24759	0.4
93.03455	1.1
96.96004	2.3
101.02438	1.4
103.20710	0.4
105.03469	0.9
107.05060	0.5
108.02218	0.5
109.02954	1.1
113.02445	1.4
117.03443	2.1
119.04990	0.7
121.02934	1.2
122.03696	0.5
123.04566	0.7
132.02162	2.9
133.02943	37.9
134.03769	6.3
135.04521	26.6
136.01642	10.6
136.04866	1.2
137.02408	1.9
145.02972	0.5
147.04482	1.0
148.05374	0.6
149.06082	2.3
151.03983	9.6
159.04488	0.8
160.01604	1.7
161.02422	100.0
162.02774	5.1
163.03989	1.6
164.04803	1.8
165.05191	0.7
166.05238	0.4
173.04544	0.5
173.06068	0.6
175.04021	3.5
176.04666	1.3
177.01865	0.6
177.05589	4.4
179.03479	14.9
179.07118	1.3
180.03934	0.9
180.07454	0.9
189.05458	0.9
191.07036	0.8
193.05042	6.2
194.05394	1.6
195.05551	0.7
201.05649	0.4
203.03500	1.5
213.94901	0.4
220.03763	0.8
221.04498	3.2
263.05463	0.8
264.13535	0.5
267.06784	0.5
280.05798	0.7
281.06534	0.5
293.56500	0.5
313.10791	1.4
323.07660	21.3
324.08023	1.5
337.09079	1.3
338.09573	0.9
339.09839	0.9
342.11139	1.6
343.11734	2.0
357.13177	1.5
519.17981	0.6
591.20569	1.5
651.20972	0.6
681.21680	73.7
682.22083	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	681.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09699	0.2
59.01376	2.1
60.99299	17.8
70.61408	0.7
71.01385	1.4
85.02947	0.6
88.98796	100.0
89.02429	1.7
89.99132	1.2
95.01379	0.2
96.96008	0.6
99.04532	0.2
101.02451	0.5
108.53252	0.2
113.02433	1.6
116.71935	0.3
119.03507	0.6
133.02951	1.5
135.04506	1.6
137.12234	0.2
143.03502	0.3
161.02422	3.2
161.04494	0.5
161.13318	0.7
162.02748	0.5
164.01180	0.3
175.04070	0.3
175.94044	0.3
179.03493	2.8
179.05571	0.6
180.03766	0.3
187.11292	1.5
193.05042	0.5
205.12325	1.8
229.12335	0.5
249.11288	1.7
284.49689	0.2
305.85132	0.2
385.18643	0.6
411.16574	2.7
429.17493	4.2
430.18210	0.5
525.31976	0.2
591.22937	3.9
592.23132	0.6
681.20441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93681	0.8
55.01870	3.4
55.32223	0.7
57.03444	4.2
58.00580	1.2
59.01372	38.3
61.98825	5.3
69.03461	1.9
71.01374	55.5
72.01704	1.0
72.99306	3.0
73.02937	9.7
75.00823	1.0
75.99744	0.9
81.03448	1.7
83.01373	7.3
85.02429	2.0
85.02941	33.2
87.00858	6.2
89.02432	29.1
93.03444	2.1
95.01360	5.2
97.02925	3.2
99.00875	20.2
99.04522	1.0
101.02428	41.3
109.02952	1.8
113.02438	38.4
119.03480	16.5
121.02943	2.2
125.02451	3.9
131.03487	2.4
133.02917	1.4
134.03699	2.5
135.04509	3.9
136.01645	22.7
137.02394	3.7
139.01714	0.9
143.03473	14.6
149.04523	1.7
151.03986	19.0
151.05202	1.1
152.04361	0.8
155.03473	0.8
159.02928	1.8
161.02553	4.3
161.04544	42.9
161.37915	0.8
162.04799	1.2
179.03473	3.2
179.05582	9.6
193.05066	1.0
203.05630	1.3
221.06584	5.8
245.06607	1.5
271.00681	0.8
282.59045	0.8
323.09775	100.0
324.10159	5.8
357.13480	3.9
425.69861	0.9
540.57147	0.9
673.49512	0.9
681.22668	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	681.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98829	0.4
69.28412	0.6
69.28830	1.4
71.01378	3.6
73.02940	1.0
78.76109	0.2
83.01366	0.4
84.02178	0.3
85.02939	1.8
89.02428	0.6
93.03468	1.1
95.01400	0.6
96.95993	1.6
98.95593	0.3
99.00851	0.5
101.02438	1.9
108.02158	0.7
109.02950	0.7
113.02451	1.9
120.07346	0.2
121.02948	2.8
122.03761	1.8
123.00864	0.5
123.04542	0.3
124.01641	0.4
126.81964	0.2
133.02924	0.5
134.03716	0.9
135.04524	0.6
136.01648	50.3
137.02328	1.7
143.03461	0.3
149.06047	0.6
151.03993	85.0
152.02197	0.2
152.04333	3.7
159.03098	0.3
159.04469	0.6
160.05235	1.2
160.52289	0.2
161.02425	1.0
161.04538	3.5
162.03110	0.7
163.03984	0.8
173.04578	0.6
175.03972	0.6
175.07643	1.2
176.04781	0.3
177.05547	1.1
179.03473	0.8
179.05663	0.3
188.04691	0.3
190.06348	0.4
191.05598	0.7
203.07199	0.3
241.05052	0.3
248.22255	0.2
296.10233	0.3
309.83035	0.2
311.12836	0.6
339.09460	0.2
340.19727	0.3
342.11005	4.3
343.11325	0.4
357.13391	100.0
358.13757	11.0
399.14453	0.7
411.14395	1.0
480.90067	0.2
507.20837	0.4
519.18793	2.7
625.20746	0.6
643.21014	0.4
681.25293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90480	0.8
59.01372	56.3
61.98822	14.2
71.01367	1.6
71.62515	1.3
72.99287	1.0
83.05008	1.2
85.02918	1.7
89.02444	1.4
91.01833	1.3
91.05547	0.9
93.03426	1.9
95.99734	1.0
96.95955	2.4
97.26479	1.0
99.00870	1.1
100.07645	0.9
101.02411	2.6
113.02401	1.3
115.08736	2.6
116.05054	1.7
117.03461	10.3
118.03768	2.5
118.06615	45.1
119.04254	1.3
119.05000	6.2
119.06934	1.4
120.05304	1.1
120.08159	1.0
121.02927	4.0
122.03240	1.0
122.06084	2.9
123.04502	5.1
124.04012	2.1
125.07174	3.0
132.04469	1.0
133.02849	1.0
134.03734	12.1
134.06004	1.0
135.04546	4.5
137.02373	2.3
137.06065	1.3
137.07152	1.9
145.02939	31.6
145.05319	1.6
146.02235	1.1
146.03284	14.7
147.03374	4.0
147.04477	8.3
149.06006	2.1
152.07137	3.2
160.01607	1.7
160.07576	2.0
161.02376	3.2
162.05511	1.6
163.03973	2.9
164.04370	1.6
164.07130	6.0
165.05539	3.4
166.08720	1.4
167.03499	6.8
175.03891	1.7
175.11200	1.3
176.07018	1.4
178.05031	1.7
179.03488	1.4
184.13420	2.9
190.05083	9.5
191.04805	1.0
192.10336	1.3
193.05040	12.0
194.05452	1.3
195.06624	5.1
202.12303	2.7
228.12347	1.4
234.11171	2.3
235.10832	3.3
247.10840	4.7
263.13898	5.6
269.04443	2.7
273.12378	3.0
277.11935	1.5
300.97467	0.9
307.08118	4.7
307.14581	1.7
308.08594	5.2
309.08640	3.0
321.15967	1.3
356.12619	1.3
357.12915	2.9
358.13324	1.9
359.14160	0.9
372.15167	1.3
381.18057	1.2
383.15814	1.3
425.17255	1.3
485.19052	7.1
501.22156	1.2
516.18713	2.4
545.21210	3.2
575.27966	1.1
611.24927	2.2
621.24426	11.0
621.39697	1.2
643.27063	1.2
645.30219	1.1
681.26202	100.0
682.26904	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64186	0.4
57.03431	1.6
59.01374	8.0
60.99296	1.1
61.98829	0.6
67.01882	7.2
69.03448	1.6
71.01374	7.9
71.61988	0.6
73.02942	1.2
80.02665	0.9
81.03445	1.5
83.01387	0.8
83.05025	1.3
85.02936	2.3
87.00835	0.9
89.02438	3.6
93.03447	42.5
94.03798	1.3
95.01414	0.6
95.05029	3.7
96.95986	1.7
97.02937	0.4
99.04498	0.5
101.02444	3.1
107.04990	1.0
109.02920	2.0
109.06561	0.7
111.00860	1.8
111.04506	8.1
112.04807	0.5
113.02418	2.6
119.03495	0.9
119.05032	2.7
121.06570	0.6
127.04005	0.6
133.02933	0.7
137.02435	8.7
137.06126	0.8
145.10197	0.5
155.03494	7.5
156.03795	0.6
161.02477	0.7
163.11279	7.8
173.04527	100.0
174.04893	3.5
179.03471	0.9
181.12355	1.8
225.11292	14.0
226.11688	0.7
286.33661	0.4
299.11313	1.7
381.15488	18.7
382.15900	1.6
418.81790	0.5
507.22256	14.3
508.22672	2.3
577.32361	2.4
595.33594	1.9
637.34082	0.5
681.27527	37.8
682.27838	7.2
687.02472	0.5
694.59735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
59.01371	7.1
59.15338	0.4
60.99299	3.0
65.03960	0.5
67.01883	6.8
69.03445	1.8
70.35493	1.2
71.01380	7.3
73.02930	1.3
80.02667	1.0
81.03444	1.2
83.05008	1.5
85.02943	1.6
87.00842	0.8
88.98795	15.7
89.02454	3.4
90.30273	0.5
93.03446	43.6
94.03778	1.2
95.05016	6.6
101.02428	1.2
107.05023	1.1
107.08666	0.7
107.87141	0.6
108.05371	0.4
109.02929	1.7
109.06540	1.1
111.00870	1.8
111.04507	6.8
113.02436	2.0
119.03493	1.0
119.05029	2.7
121.06596	1.5
124.09470	0.4
125.56969	0.5
127.04005	0.9
133.02960	2.0
135.04552	1.0
137.02444	7.7
140.13054	0.5
145.10117	0.6
155.03496	7.9
161.02415	7.5
161.09773	0.6
163.11266	14.1
163.12656	0.7
164.11574	0.7
173.04518	100.0
174.04840	3.6
174.10860	0.5
179.03461	1.0
181.12270	0.8
191.05518	0.8
207.10225	1.9
216.65752	0.5
218.08104	0.9
225.11275	12.3
226.11722	0.7
228.13091	0.5
299.11301	1.1
323.07822	0.9
373.70557	0.5
381.15646	0.6
382.12912	0.6
507.22263	42.4
508.22592	6.8
591.20599	2.8
681.27679	36.1
681.39612	1.0
682.28040	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	681.377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	52.6
61.98821	56.7
63.71898	8.3
71.01372	13.9
71.45909	13.2
81.00600	7.9
88.24823	7.8
89.02450	10.8
96.28571	8.6
97.75208	8.6
101.02400	12.2
139.74985	9.4
181.08701	28.0
228.80948	9.1
257.08026	10.6
277.21701	100.0
283.26385	11.3
331.82385	9.7
397.13519	13.8
445.24213	11.5
474.25357	10.4
552.82294	8.6
606.78296	9.9
681.37634	72.4
682.38104	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	681.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.9
61.98822	100.0
62.98523	1.4
63.99252	0.9
66.52031	0.7
67.56171	0.8
69.71019	1.1
69.71429	2.9
101.43092	0.6
117.98377	0.8
145.02928	1.2
164.19910	0.8
185.11815	1.0
193.12137	0.7
244.86058	0.8
265.31766	0.8
277.21732	2.5
360.68927	0.7
525.86810	0.9
681.37732	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96837	0.7
55.01875	1.4
57.03445	0.7
59.01372	100.0
60.01705	1.3
61.98819	3.5
67.47928	0.5
71.01373	22.8
71.62104	0.6
72.99329	1.0
73.02926	5.0
83.01387	2.2
85.02952	9.4
87.00871	1.3
89.02432	8.8
89.86254	0.6
93.03451	0.7
93.43436	0.5
95.01404	1.8
95.96557	0.7
96.96001	1.2
99.00878	2.7
101.02431	14.4
113.02436	9.1
119.03482	3.0
121.02936	1.9
125.02393	0.8
136.01657	2.0
137.02367	0.6
143.03490	1.5
145.02946	0.8
149.02403	0.7
151.03995	3.7
159.02977	1.9
161.02477	1.0
161.04546	14.4
170.91144	0.7
177.77356	0.7
179.05589	2.3
359.29486	0.7
459.38272	3.2
469.33395	0.9
487.34372	2.3
621.43634	59.3
622.43817	11.4
663.36237	0.9
681.22729	0.8
681.36554	1.7
682.36487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.94982	1.8
58.50966	2.1
59.01370	100.0
61.98820	8.6
62.74366	2.1
65.00340	2.2
65.78854	1.9
66.37786	1.7
67.01885	11.6
68.99805	10.8
69.03445	7.0
71.01375	32.1
72.99336	2.0
73.02934	35.6
75.00880	3.2
81.03501	2.5
83.01386	9.7
83.05034	3.4
85.02950	8.6
87.00882	4.0
89.02442	9.1
91.00437	2.0
93.03438	32.2
95.01382	7.4
96.95996	4.7
97.02966	2.4
99.00864	3.1
99.04543	3.6
101.02435	43.4
102.02747	2.4
107.05011	7.0
111.00864	41.0
111.04511	20.2
113.02444	21.0
117.03449	7.2
119.03589	3.0
119.05014	61.7
120.05389	2.4
121.02935	55.0
123.04472	10.0
125.02467	3.0
127.03997	17.7
127.30684	2.3
131.03549	3.2
132.02141	2.9
133.02934	22.4
134.03752	9.7
135.04512	39.5
136.01636	8.1
136.04851	3.3
137.02444	20.4
139.00354	26.7
143.03450	5.4
145.02943	20.4
149.02451	15.6
149.04518	5.4
149.06094	4.3
150.03168	4.4
151.03960	12.9
153.01959	3.0
153.05536	17.7
159.04428	2.9
160.05269	3.4
161.02420	53.4
161.04550	9.3
161.05997	3.1
162.02826	3.8
163.03986	39.7
164.04645	7.4
165.01892	4.8
165.05554	5.6
173.04524	4.1
175.04004	4.5
177.05519	8.1
179.03459	22.8
179.07086	3.5
191.05534	3.3
193.05026	8.8
195.06583	34.7
197.81664	2.2
205.04999	4.7
207.03119	4.9
221.04626	4.1
223.06032	11.2
224.01584	2.0
225.73322	2.0
235.06068	3.2
239.05618	7.5
239.31998	2.1
272.21066	2.1
273.07605	24.5
275.05615	16.4
281.06558	2.9
291.08655	3.0
307.08182	85.3
308.08585	7.0
315.08716	36.2
316.08914	3.8
323.07773	6.9
333.09723	13.2
337.09354	2.3
343.08154	7.1
357.09360	2.7
357.13425	3.0
375.10590	12.7
379.86902	2.2
403.10800	3.1
417.43106	2.0
435.12885	13.2
503.15576	2.7
521.18353	8.5
532.86816	2.3
579.17413	2.6
597.17871	9.2
629.34235	2.4
639.19293	10.4
665.22693	3.2
683.22791	38.7
684.24255	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	683.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06936	0.6
54.31774	0.7
58.24592	0.7
59.01369	4.4
61.98824	17.5
63.16712	0.7
68.95340	0.8
71.01369	2.4
71.61987	0.7
85.02943	1.4
85.49915	0.7
85.54256	0.7
85.88643	0.7
86.05291	0.7
87.00890	0.9
88.98796	1.3
89.02430	2.0
91.01886	14.5
96.95995	2.0
101.02422	1.9
108.02166	19.2
109.02947	5.2
113.02472	1.0
114.05583	1.6
117.03446	5.6
119.05015	32.7
120.05331	0.7
121.02933	1.6
123.00854	5.1
123.04496	0.8
125.02452	1.0
133.02965	0.8
134.03716	6.0
135.00871	13.4
135.04553	3.4
137.02428	4.0
145.02939	16.0
152.01135	17.8
153.01842	1.6
161.02426	3.3
163.03989	50.7
164.04355	2.3
167.03423	1.0
175.03946	0.8
179.03459	1.4
193.05029	4.8
194.05354	1.0
197.06084	1.8
205.04990	2.9
213.05582	1.7
215.07085	0.9
243.06580	100.0
244.06937	6.9
285.03922	0.7
337.09293	3.6
439.12390	25.1
440.12604	2.6
485.32666	0.9
490.84384	0.8
519.15100	16.7
520.15204	2.7
537.16309	3.0
548.97675	0.9
575.13824	3.6
621.26495	0.8
622.39703	1.4
623.26184	1.3
683.19788	10.8
683.33453	2.6
684.19678	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	683.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
59.01377	1.8
67.01876	3.8
69.03439	1.2
71.01373	3.6
73.02919	0.5
81.03461	0.8
83.05014	3.8
85.89408	0.4
90.30789	0.4
93.03446	24.8
94.03758	1.0
109.02959	1.0
109.06586	0.6
111.00895	0.8
111.04507	5.4
111.08149	17.3
112.08482	0.5
113.02445	0.7
123.08115	0.8
127.03972	0.7
129.09187	0.7
133.02931	0.8
135.04514	4.9
136.04811	0.6
137.02426	5.9
140.09692	0.5
155.03488	4.1
161.02405	1.4
171.11745	0.5
173.04524	100.0
173.08139	24.7
174.04842	3.2
174.08459	0.9
179.03473	3.6
184.53687	0.4
191.05614	0.9
237.14960	0.8
281.13934	4.8
335.07526	2.2
347.13409	67.9
348.13785	4.9
364.62238	0.5
660.58344	0.5
668.25238	0.5
687.31122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.4
61.69727	0.4
69.73707	2.3
71.01377	5.0
85.02940	5.5
88.98808	1.0
89.02458	1.3
93.03466	0.6
95.01338	2.3
107.05045	0.9
109.02946	0.7
113.02432	11.1
117.03468	1.2
121.02942	0.6
123.04534	0.8
132.02164	1.6
133.02940	31.5
134.03784	3.2
135.04510	71.4
136.04842	3.7
137.02419	5.4
138.03220	2.1
139.03964	0.5
143.03444	0.5
149.02454	1.3
151.04012	0.9
161.02425	90.8
162.02768	4.3
165.01892	5.8
166.02676	2.8
168.16005	0.5
175.23558	0.4
179.03468	100.0
180.03812	5.0
181.04999	2.0
203.03435	1.1
233.04411	0.6
245.04454	0.7
251.05548	0.7
454.31918	0.5
459.82785	0.5
476.18253	0.6
487.14554	11.1
488.14926	1.4
489.15988	2.1
498.82657	0.5
593.18457	0.8
651.19232	43.9
652.19568	7.7
683.21655	5.6
684.22015	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	683.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04472	0.6
57.03456	0.6
59.01365	3.0
59.29908	0.6
61.98830	0.9
68.99836	0.6
69.37212	5.8
71.01377	4.7
71.85879	0.6
73.02940	0.8
85.02948	5.1
87.00887	0.6
88.98819	0.7
89.02434	1.3
93.03464	3.2
95.01408	1.4
95.79073	0.6
96.96011	1.7
98.20578	1.2
101.02457	1.2
103.15535	0.6
103.77620	0.7
105.03460	0.8
108.02156	1.6
109.02941	1.9
113.02428	9.0
115.63129	0.6
117.03471	1.9
119.05050	0.9
123.04537	2.0
132.02190	1.6
133.02939	31.9
134.03781	5.2
135.04510	64.6
136.04845	2.6
137.02426	4.3
138.03224	2.3
145.02954	0.8
149.02463	0.9
149.06032	0.9
150.03273	1.3
151.03944	0.8
152.01129	2.7
153.09267	0.6
159.04459	1.0
160.01599	1.4
160.58109	0.6
161.02425	100.0
162.02779	5.0
163.04099	0.7
165.01868	3.8
165.05582	1.5
166.02698	1.5
167.03442	4.7
173.04553	3.2
175.03879	0.9
177.05582	1.2
178.02750	0.8
179.03470	87.3
180.03862	4.5
181.05078	2.0
193.05017	2.7
203.03523	1.0
204.89565	0.6
235.05934	0.6
241.05006	1.1
265.07260	0.8
305.06613	0.6
313.10666	0.9
323.07745	3.1
325.09396	0.8
344.12350	1.8
359.14865	2.9
487.14548	6.8
488.14328	1.1
489.15808	2.5
509.16476	1.2
515.17322	0.9
560.43396	0.7
647.27844	0.8
651.19220	37.6
652.19586	7.3
683.22772	19.4
684.22589	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	683.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55321	1.1
57.03450	1.4
59.01368	5.7
61.98843	1.8
67.12518	1.2
71.01366	9.1
72.99284	1.1
73.02932	1.2
85.02962	7.4
87.00879	1.7
89.02465	2.3
95.01382	2.1
95.04970	1.1
99.00862	1.0
101.02439	3.2
109.02950	4.4
113.02443	13.1
117.03432	1.9
121.02956	1.9
123.04493	1.2
133.02940	17.2
134.03734	11.0
135.04514	92.2
136.04822	2.9
137.02406	10.8
138.03203	1.7
149.02437	2.2
149.06082	2.9
150.03200	3.0
151.04051	1.1
160.01639	1.7
161.02429	52.5
161.04562	2.3
162.02791	3.2
165.01915	10.9
165.05521	4.8
166.02654	1.8
174.03215	1.1
175.03973	3.1
177.05481	2.5
179.03474	100.0
180.03943	6.0
181.05031	2.4
187.46614	1.1
188.41431	1.1
193.05057	7.1
195.06584	1.1
221.04515	1.1
221.08182	1.5
233.04497	11.6
245.04430	1.3
251.05554	26.9
251.07953	2.0
265.07166	1.9
287.05624	1.7
305.06647	9.2
306.07095	1.6
323.07648	23.3
324.07910	1.8
389.12408	3.9
393.58212	1.1
463.18332	2.3
487.14572	15.0
489.15924	1.3
503.15518	1.2
507.17706	1.3
621.18329	1.9
639.22894	2.0
651.19244	59.1
652.19385	10.3
683.21838	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	683.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
59.01377	1.8
67.01876	3.8
69.03439	1.2
71.01373	3.6
73.02919	0.5
81.03461	0.8
83.05014	3.8
85.89408	0.4
90.30789	0.4
93.03446	24.8
94.03758	1.0
109.02959	1.0
109.06586	0.6
111.00895	0.8
111.04507	5.4
111.08149	17.3
112.08482	0.5
113.02445	0.7
123.08115	0.8
127.03972	0.7
129.09187	0.7
133.02931	0.8
135.04514	4.9
136.04811	0.6
137.02426	5.9
140.09692	0.5
155.03488	4.1
161.02405	1.4
171.11745	0.5
173.04524	100.0
173.08139	24.7
174.04842	3.2
174.08459	0.9
179.03473	3.6
184.53687	0.4
191.05614	0.9
237.14960	0.8
281.13934	4.8
335.07526	2.2
347.13409	67.9
348.13785	4.9
364.62238	0.5
660.58344	0.5
668.25238	0.5
687.31122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03449	0.6
58.00584	1.8
59.01370	43.2
60.01704	0.4
69.79398	1.7
69.79810	0.8
71.01370	28.9
72.99297	1.5
73.02934	0.9
80.49793	0.4
83.01385	0.9
84.40072	0.5
85.02935	4.3
87.00875	2.2
89.02428	38.7
90.02758	0.6
95.01369	2.2
98.19890	0.8
98.20544	0.9
99.00864	0.5
101.02428	15.2
113.02434	12.7
115.29943	0.4
119.03481	12.6
120.03821	0.5
125.02454	0.7
131.03511	1.6
133.02937	1.1
135.04532	1.2
143.03476	3.4
147.19675	0.5
149.04538	0.9
161.02432	6.6
161.04498	4.1
179.03505	1.6
179.05583	16.1
180.06062	0.5
191.05632	1.0
223.40277	0.5
278.16882	0.4
281.08890	0.5
341.10864	100.0
342.11151	6.8
690.94739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
59.01374	2.4
61.98821	3.6
69.52632	2.0
71.01379	3.0
72.99296	0.3
73.02949	0.9
73.57456	0.2
77.03973	0.4
83.01398	0.4
84.95122	1.1
85.02937	1.8
87.00886	0.5
88.98787	0.3
89.02457	0.8
93.03442	1.0
96.96010	1.0
101.02448	3.4
105.03439	0.8
107.05037	0.5
108.02165	0.3
109.02911	1.5
109.76289	0.3
113.02428	1.4
115.22192	0.3
116.92838	0.8
117.03458	2.4
117.92932	0.4
118.99882	0.3
119.04996	1.3
121.02933	1.9
122.03737	0.9
123.04514	1.0
125.02467	0.4
132.02150	2.3
133.02942	40.2
134.03801	3.1
135.04509	27.1
136.01648	0.5
136.04845	1.1
137.02428	1.5
139.04013	0.5
143.03389	0.4
143.04929	0.3
145.02931	6.4
146.03647	0.9
147.04494	1.0
148.05269	0.7
149.02425	1.3
149.06067	1.8
150.03188	1.8
151.03996	0.3
158.03725	0.8
159.04449	2.7
160.01646	0.8
160.05281	7.4
161.02422	100.0
161.05989	3.6
162.02748	5.3
163.04001	2.3
164.04721	1.3
165.05484	0.6
167.03462	1.4
173.04568	0.7
173.06046	1.2
174.03209	0.3
175.04008	2.4
175.07613	4.7
176.01134	0.6
176.04726	0.3
177.01932	0.6
177.05533	4.2
178.02704	0.8
178.06287	1.5
179.03474	15.9
179.07062	1.1
180.03860	0.9
189.05536	0.3
190.06284	0.4
191.03476	0.9
191.05493	0.5
191.07137	0.5
193.04984	1.2
193.08598	0.3
203.03459	1.4
205.04965	0.4
205.08670	0.4
207.06487	0.3
207.31883	0.3
220.03812	0.6
221.04535	2.8
223.06096	0.7
263.05664	0.3
280.05862	0.9
290.03717	0.3
307.08197	2.8
315.12329	3.0
316.12515	0.3
323.07654	14.9
324.08060	0.8
327.12616	0.4
329.13815	4.3
330.14200	0.5
337.09219	0.7
447.84772	0.3
449.60327	0.3
459.34485	0.5
473.15784	0.3
484.36041	0.3
503.15677	2.5
521.22192	0.5
621.19019	0.4
621.40326	1.8
653.22290	43.3
654.22607	8.3
665.22266	3.9
666.22644	0.8
683.23291	31.6
684.23657	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
59.01374	2.4
61.98821	3.6
69.52632	2.0
71.01379	3.0
72.99296	0.3
73.02949	0.9
73.57456	0.2
77.03973	0.4
83.01398	0.4
84.95122	1.1
85.02937	1.8
87.00886	0.5
88.98787	0.3
89.02457	0.8
93.03442	1.0
96.96010	1.0
101.02448	3.4
105.03439	0.8
107.05037	0.5
108.02165	0.3
109.02911	1.5
109.76289	0.3
113.02428	1.4
115.22192	0.3
116.92838	0.8
117.03458	2.4
117.92932	0.4
118.99882	0.3
119.04996	1.3
121.02933	1.9
122.03737	0.9
123.04514	1.0
125.02467	0.4
132.02150	2.3
133.02942	40.2
134.03801	3.1
135.04509	27.1
136.01648	0.5
136.04845	1.1
137.02428	1.5
139.04013	0.5
143.03389	0.4
143.04929	0.3
145.02931	6.4
146.03647	0.9
147.04494	1.0
148.05269	0.7
149.02425	1.3
149.06067	1.8
150.03188	1.8
151.03996	0.3
158.03725	0.8
159.04449	2.7
160.01646	0.8
160.05281	7.4
161.02422	100.0
161.05989	3.6
162.02748	5.3
163.04001	2.3
164.04721	1.3
165.05484	0.6
167.03462	1.4
173.04568	0.7
173.06046	1.2
174.03209	0.3
175.04008	2.4
175.07613	4.7
176.01134	0.6
176.04726	0.3
177.01932	0.6
177.05533	4.2
178.02704	0.8
178.06287	1.5
179.03474	15.9
179.07062	1.1
180.03860	0.9
189.05536	0.3
190.06284	0.4
191.03476	0.9
191.05493	0.5
191.07137	0.5
193.04984	1.2
193.08598	0.3
203.03459	1.4
205.04965	0.4
205.08670	0.4
207.06487	0.3
207.31883	0.3
220.03812	0.6
221.04535	2.8
223.06096	0.7
263.05664	0.3
280.05862	0.9
290.03717	0.3
307.08197	2.8
315.12329	3.0
316.12515	0.3
323.07654	14.9
324.08060	0.8
327.12616	0.4
329.13815	4.3
330.14200	0.5
337.09219	0.7
447.84772	0.3
449.60327	0.3
459.34485	0.5
473.15784	0.3
484.36041	0.3
503.15677	2.5
521.22192	0.5
621.19019	0.4
621.40326	1.8
653.22290	43.3
654.22607	8.3
665.22266	3.9
666.22644	0.8
683.23291	31.6
684.23657	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72606	0.4
59.01367	2.3
61.98818	3.8
71.01378	3.2
72.99312	0.7
73.02962	0.7
83.01355	0.5
85.02950	1.3
88.98791	3.5
89.02438	0.7
89.03970	0.6
93.03468	1.7
96.95985	2.3
101.02402	1.2
105.03422	1.1
108.02161	0.5
109.02962	1.2
110.34002	0.5
110.51944	0.4
113.02447	1.0
117.03445	3.7
119.05016	2.1
121.02948	2.2
122.03645	0.6
123.04536	1.7
124.01633	0.6
129.94638	0.5
132.02148	2.7
133.02934	40.2
134.03793	4.5
135.04503	27.8
136.04849	0.9
137.02437	1.9
145.02933	9.2
146.03784	0.8
147.04517	1.0
148.05299	0.6
149.02437	0.9
149.06068	2.0
150.03198	2.0
151.03870	0.5
158.03679	0.6
159.04486	2.1
160.01645	0.9
160.05260	6.2
161.02419	100.0
161.05986	3.2
162.02759	4.4
163.04001	3.0
164.04787	1.6
165.05484	0.6
173.04604	0.7
173.06123	1.0
175.03981	3.2
175.07593	5.5
177.01854	1.0
177.05540	4.9
178.02771	0.9
178.06287	1.7
179.03467	18.0
179.07040	1.2
180.03835	1.1
181.05112	0.7
191.03479	1.2
191.05499	0.8
191.07158	0.7
193.05034	2.7
193.08733	1.1
203.03462	1.6
205.05023	0.6
207.06554	1.0
220.03761	0.9
221.04477	2.7
235.06113	0.8
247.99887	0.5
251.05598	0.8
265.07111	0.8
280.05826	0.8
299.80835	0.5
307.08258	3.6
315.12262	3.2
323.07642	15.8
324.07980	1.6
329.13873	5.1
330.14230	0.7
337.09122	1.1
345.13358	1.6
503.15662	1.3
509.19614	0.7
521.18530	0.5
652.04370	0.6
683.23322	82.3
684.23566	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	683.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17474	0.5
59.01378	2.3
61.98824	2.0
71.01366	3.1
73.02924	1.1
75.94140	0.5
82.95419	2.1
83.01396	0.8
83.18991	0.5
84.95103	9.9
85.02929	1.2
89.02413	0.6
89.54745	0.4
93.03456	1.3
96.95985	0.6
97.02941	0.6
97.17838	0.4
101.02415	2.5
105.03451	0.9
107.04946	0.6
108.02132	0.5
109.02953	1.3
113.02441	1.4
117.03469	3.6
117.45459	0.5
119.05003	1.9
120.66587	0.4
121.02929	2.3
122.03743	0.8
123.04503	1.3
132.02141	1.4
133.02940	39.3
134.03781	3.5
135.04506	25.6
136.01541	0.5
136.04860	0.9
137.02432	0.9
145.02936	10.7
146.03656	1.6
147.04497	1.1
149.02429	0.8
149.06065	2.0
150.03200	1.4
158.03682	0.8
159.04523	2.5
160.01608	0.8
160.05293	5.1
161.02423	100.0
161.06001	3.8
162.02756	4.6
163.04051	2.6
164.04750	2.0
167.03491	1.2
173.04504	0.7
173.05995	0.8
175.04012	2.5
175.07576	3.9
176.04701	0.7
177.01933	0.5
177.05516	4.0
178.02722	0.5
178.06305	1.8
179.03474	16.5
179.06967	1.2
180.04015	1.2
193.05055	1.4
195.06636	1.1
203.03542	1.2
220.03827	0.8
221.04530	2.4
280.05844	1.0
297.11264	0.7
307.08218	5.0
315.12280	2.5
323.07663	13.5
324.07849	0.7
327.12360	0.6
329.13882	4.6
345.13254	0.6
503.15414	5.5
621.39288	0.6
653.22272	44.7
654.22644	7.9
665.22455	3.8
666.22491	0.9
683.23303	30.9
684.23590	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	683.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
57.03440	3.1
58.00569	1.7
59.01374	43.2
62.62709	0.8
69.03458	1.2
69.45770	4.3
69.46194	1.9
70.31140	0.7
71.01376	60.1
72.01731	1.2
72.99294	3.1
73.02937	9.4
75.00848	1.8
81.03467	2.0
82.36076	0.8
83.01381	9.0
85.02942	33.2
86.90534	0.8
87.00871	5.5
89.02435	28.0
93.03454	2.4
95.01378	6.1
97.02917	2.3
98.19868	1.7
99.00233	1.6
99.00869	22.8
101.02435	40.2
102.02791	1.3
109.02960	1.8
113.02435	43.1
114.02759	1.6
115.04063	0.9
117.03400	0.8
119.03483	15.6
119.04932	1.5
121.02963	2.4
122.03774	1.0
125.02441	4.0
131.03485	1.8
134.03719	3.0
135.04489	2.7
137.02422	3.2
139.04083	1.0
143.03493	13.3
147.04498	1.8
149.02420	1.0
149.06068	1.5
150.03198	3.5
151.04063	0.8
155.03499	0.9
159.02956	2.5
159.04453	2.9
160.05264	10.1
161.02359	2.3
161.04552	42.3
161.06010	4.4
162.04915	1.1
163.04071	2.2
164.04803	2.1
165.05516	2.7
173.06058	1.7
175.04022	1.4
175.07602	5.7
177.05573	1.6
178.06323	2.9
179.03416	1.5
179.05574	10.7
191.07083	1.2
193.05040	3.3
195.06516	1.3
203.05608	2.0
221.06604	4.7
235.06070	1.1
245.06676	2.1
267.08768	1.2
271.14594	1.0
323.09772	100.0
324.10120	7.5
329.13879	11.9
349.83926	0.9
389.12402	2.7
420.13937	1.0
461.15274	0.9
489.79355	0.9
653.24634	11.6
654.24786	2.7
683.22424	6.3
684.22687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56775	0.7
55.01873	3.9
57.03427	3.3
58.00583	2.1
59.01370	43.1
60.01703	1.1
61.98838	1.0
69.03434	2.4
69.50106	1.8
69.50513	3.8
71.01373	57.8
72.99285	2.9
73.02940	8.1
75.00850	1.7
75.80090	0.7
81.03432	1.6
83.01386	7.5
84.63876	0.9
85.02940	37.2
86.03221	0.7
86.96842	0.7
87.00855	6.6
89.02433	35.0
93.03460	3.8
94.99383	0.7
95.01399	5.3
96.96002	0.9
97.02950	4.0
99.00867	23.8
101.02430	41.7
107.03482	0.7
109.02935	2.6
112.72729	0.8
113.02435	41.9
114.02768	1.0
119.02632	1.0
119.03488	15.8
121.02950	3.0
122.03767	1.0
123.04509	1.8
125.02472	3.7
131.03494	3.0
133.02924	3.0
134.03743	6.8
135.04509	5.5
137.02373	3.2
143.03482	16.8
147.04482	1.4
149.02400	1.0
149.04556	1.3
150.03207	4.7
150.79807	0.7
153.01994	1.0
153.05544	1.1
155.03482	2.1
158.03683	1.6
159.02945	2.1
159.04454	3.2
160.01672	2.7
160.05263	10.4
161.02542	5.8
161.04541	45.3
161.05997	3.3
162.02817	0.8
162.04893	1.8
163.03963	2.2
164.04750	2.5
165.05556	3.3
173.06059	1.5
175.03983	2.7
175.07611	6.6
177.05553	2.8
178.06287	2.8
179.03595	4.8
179.05574	12.6
179.07025	0.6
193.05026	8.4
195.06747	0.7
203.05569	1.8
213.67012	0.7
221.06633	5.8
245.06685	1.0
256.23141	0.8
323.09778	100.0
324.10104	7.5
325.09445	0.9
329.13858	8.4
330.14160	1.0
389.12796	0.9
521.17664	1.1
572.23926	0.8
683.24677	8.6
684.25226	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	683.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10231	7.6
58.95521	7.3
59.01380	39.2
61.98824	100.0
63.01809	7.0
71.01383	17.8
71.31741	13.3
78.95890	11.2
79.46458	6.4
85.02891	8.1
87.00824	10.7
89.02468	13.2
90.93312	7.1
96.95988	32.8
101.02458	14.3
113.02398	15.9
120.42691	6.5
133.02910	10.0
135.04448	13.6
161.02443	23.0
179.03439	25.8
184.11270	7.9
229.57256	6.9
249.18550	47.6
259.24701	8.3
289.88812	7.2
397.13458	99.9
415.14624	24.1
485.33066	7.6
647.32861	11.5
683.29980	76.5
684.31006	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
59.01374	38.1
59.68710	0.5
60.87866	0.6
61.98815	2.1
64.94011	0.6
69.03449	1.2
70.65363	2.0
71.00991	0.8
71.01376	10.3
72.99271	0.8
73.02940	2.6
78.95916	1.3
81.03422	0.7
83.01371	1.4
83.05013	0.8
85.02931	2.6
87.00889	4.5
89.02435	5.5
95.01378	1.7
97.02884	0.7
101.02427	7.6
109.06602	1.7
110.73298	0.6
111.04520	0.7
111.08127	1.4
113.02456	4.5
117.05408	0.7
119.03475	1.2
125.02434	0.8
126.09165	0.7
135.08165	1.4
137.09679	1.0
145.05017	2.0
161.04512	1.9
171.10245	2.4
179.05676	1.4
179.14282	0.7
203.14375	0.9
205.15775	0.7
207.17577	0.6
213.14905	0.9
231.17406	0.7
235.08200	6.7
237.14883	0.8
239.16406	1.5
247.13412	0.9
265.18149	1.1
267.19595	0.9
275.16489	1.6
277.21851	0.7
293.21301	1.1
315.26791	2.0
325.25232	4.4
341.24838	2.4
343.22827	0.8
343.26361	4.1
345.06516	0.7
351.23190	2.4
359.25839	5.0
360.26108	0.7
361.27499	1.8
369.24283	7.8
370.24606	1.3
377.26767	1.4
387.25339	30.0
388.25610	3.1
405.26395	18.8
406.26642	2.3
479.30081	1.5
595.34802	1.2
605.33026	1.0
623.34283	100.0
624.34656	16.2
637.92688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03419	1.0
59.01371	37.8
61.98800	1.7
69.03456	0.8
69.54672	0.5
71.01369	10.2
71.32236	0.5
72.99283	1.2
73.02944	2.8
78.95884	1.3
81.03436	0.6
83.01373	1.5
83.05007	1.2
85.02937	3.1
87.00864	4.7
87.04521	0.7
89.02440	5.0
95.01385	0.7
95.04986	0.5
96.95991	0.9
97.02959	0.7
98.19913	1.6
99.00840	0.6
101.02422	7.0
109.06570	1.3
111.08116	1.0
113.02418	4.7
113.52955	0.6
119.03442	1.5
125.02431	0.7
135.04488	0.6
135.08127	1.1
137.09709	0.8
143.03445	0.7
145.05017	2.8
152.99590	0.6
161.02400	1.6
161.04517	2.6
171.10251	8.3
179.05592	2.0
203.14386	0.9
205.15939	0.9
211.13339	1.1
213.14926	1.7
235.08176	6.6
237.14972	1.2
239.16452	1.8
247.17122	0.7
249.14873	0.8
253.09221	1.1
265.18115	1.0
275.16605	0.7
275.20090	0.7
277.18048	0.9
277.21643	0.7
293.21240	3.4
313.25427	0.8
315.26852	2.5
325.25433	3.4
341.24857	2.8
342.25272	0.7
343.26367	4.3
351.23276	2.2
359.25885	5.3
360.25778	0.7
361.27344	1.5
369.24268	6.5
370.24719	0.7
377.26883	1.0
387.25339	30.1
388.25583	3.5
405.26431	19.2
406.26666	2.7
479.29855	1.6
480.41248	0.6
595.34821	0.9
605.33044	1.2
623.34259	100.0
624.34631	18.9
647.36200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18319	1.5
61.98828	23.6
70.39445	2.8
70.39805	4.5
71.01379	3.4
85.02937	3.9
90.39597	1.6
109.02911	1.5
112.34054	1.5
113.02432	6.9
123.04481	3.9
132.02185	1.7
133.02940	22.5
134.03659	2.9
135.04514	64.9
136.04836	2.8
137.23175	1.5
150.03223	3.2
151.04050	8.4
161.02431	75.5
162.02737	4.0
179.03470	100.0
180.03818	6.4
191.26266	1.6
230.58633	1.6
253.89879	1.6
281.93524	1.8
459.14926	5.5
487.14432	7.4
621.18188	49.8
622.18622	8.1
633.59186	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	685.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72375	0.9
57.03426	2.2
58.00584	1.8
59.01369	62.1
59.64560	1.1
61.98808	2.6
65.03967	1.2
67.01881	11.4
68.99807	40.6
69.03445	15.2
69.47652	3.7
69.48060	3.5
71.01370	42.6
72.33881	1.0
72.99300	4.3
73.02950	4.6
75.00886	1.2
75.46901	0.9
83.01385	2.4
84.39614	1.0
85.02935	10.1
87.00867	4.8
88.03397	1.0
89.02431	50.9
90.02847	0.9
93.03432	7.6
95.01371	5.7
95.05009	8.8
96.96018	2.7
98.20638	1.9
99.00857	3.3
99.04444	1.5
101.02431	100.0
102.02769	2.0
105.01923	6.9
107.04945	1.4
109.02915	2.1
111.00861	31.2
111.01635	1.8
111.04518	1.1
112.01633	1.0
113.02434	16.1
117.03446	2.1
117.72310	0.9
119.03510	19.5
119.04996	19.4
121.02950	13.4
121.06647	0.9
122.03697	1.6
123.04503	2.7
125.02416	7.0
127.03996	29.3
128.04344	1.2
131.03447	4.2
133.02940	14.3
134.03716	2.7
135.04523	13.9
136.04819	1.8
137.02425	11.9
137.06055	7.6
139.00349	14.1
139.03995	12.3
140.04288	1.0
143.03473	9.8
145.02907	1.5
147.04489	3.0
149.02396	4.3
149.04524	1.8
149.06018	1.5
150.03180	1.7
151.03992	5.0
153.01917	7.4
153.05580	3.0
153.09180	1.7
161.01074	1.9
161.02422	36.7
161.04460	5.8
161.05869	1.7
162.02727	2.2
163.03993	8.9
165.05540	6.1
171.02968	10.0
175.03920	1.5
177.01894	2.0
177.05577	1.9
179.03471	9.2
179.05571	23.7
179.07027	2.0
181.05043	2.1
191.03551	1.5
193.05017	3.2
195.06563	3.5
197.08194	2.5
207.06590	1.4
221.04533	2.0
221.06563	3.7
223.06071	20.1
231.06514	1.0
239.05562	2.3
259.06842	1.9
259.09686	39.7
260.10013	1.9
281.06583	2.7
283.15802	1.0
291.08688	98.5
292.09064	9.3
299.11270	17.8
300.11658	1.4
307.08206	1.6
323.07663	4.1
329.13889	1.3
337.08472	1.7
339.29700	1.1
361.12836	50.4
361.16281	2.5
362.12964	5.6
421.14816	1.4
453.13797	3.3
523.19299	1.5
565.18304	1.3
579.17255	1.4
597.17670	1.2
653.20001	2.1
685.24402	31.8
685.39099	1.9
686.25342	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	685.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
59.01369	12.0
62.33316	0.8
67.01546	1.2
67.01881	14.5
68.99809	42.6
69.03447	12.1
71.01374	14.5
73.02934	1.8
83.01347	1.1
85.02939	13.6
86.83688	0.8
87.00845	1.8
89.02437	8.2
93.03441	2.7
95.01369	7.7
95.05011	11.0
99.04497	2.0
99.79412	1.0
101.02431	78.9
102.02747	1.4
109.02934	3.0
111.00869	33.1
113.02436	28.6
114.02760	1.2
119.03475	2.6
119.05018	2.4
121.02955	2.3
123.04500	3.0
125.02405	5.9
127.03993	33.0
128.04324	1.7
134.03699	1.2
135.04500	3.4
137.06078	9.0
138.02940	1.0
139.00357	16.2
139.04002	12.3
143.03506	5.9
147.04373	1.0
149.02408	3.4
150.06815	1.7
151.03983	4.6
152.04321	0.9
153.01935	9.7
153.05565	2.1
161.02385	3.3
161.04530	9.1
162.04890	1.5
163.03964	3.0
165.05580	4.5
169.03976	1.0
169.08682	1.3
171.02971	12.7
179.03479	1.2
179.05560	2.7
179.07124	2.4
181.04993	1.4
191.03511	1.5
197.08128	3.9
223.06082	16.3
259.09698	36.9
260.09952	1.7
285.03815	1.3
291.08704	100.0
292.09000	7.6
329.10117	2.6
352.25784	1.1
361.12881	66.7
362.13126	7.5
523.31854	1.4
565.17615	3.1
685.23193	13.2
685.39008	1.6
686.23676	2.5
690.15491	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
59.01087	1.1
59.01372	17.3
59.76388	0.6
61.26994	0.7
61.98823	0.7
63.36599	0.7
65.00331	0.7
65.03956	0.7
67.01883	11.7
68.99811	37.8
69.03449	11.5
71.01373	11.8
71.62052	0.9
72.99310	0.9
73.02934	2.0
83.01392	1.0
85.02928	2.8
87.00861	3.8
89.02438	15.4
93.03440	1.5
95.01375	3.2
95.05021	8.9
96.95974	1.3
99.00878	1.7
99.04502	1.9
101.02433	80.8
102.02785	1.8
110.00135	0.8
111.00865	30.9
113.02426	5.2
119.03486	3.6
119.04987	1.1
121.02941	5.8
121.06543	0.9
122.59291	0.7
123.04507	1.2
125.02415	7.3
127.03997	32.4
128.04274	0.7
131.03455	3.9
133.02940	1.5
135.04483	3.1
137.06081	7.1
139.00372	12.3
139.03999	12.7
143.03482	5.7
149.02441	2.3
149.04544	1.0
153.01945	6.5
153.05464	1.0
161.02440	3.6
161.04547	3.1
163.04004	1.4
165.05550	2.0
171.02975	8.4
171.81554	0.7
179.03522	1.9
179.05579	11.8
179.07059	0.8
181.04904	0.9
191.03513	1.0
200.71367	0.7
209.04451	1.3
221.06625	4.9
223.06122	5.0
252.79294	0.8
259.09698	42.2
260.10019	3.6
291.08707	100.0
292.09015	8.2
293.08603	1.1
323.09741	5.7
341.10852	1.2
361.12875	51.1
362.13297	5.7
409.01895	0.7
477.12500	0.8
547.16272	3.4
565.17914	1.0
623.19171	1.2
674.41919	0.8
685.23102	5.7
686.22974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66977	0.4
51.12706	0.4
59.01367	3.2
61.98824	84.1
62.56064	0.5
65.18638	0.5
70.83685	1.4
71.01388	0.7
82.23946	0.6
82.95435	1.4
89.03885	0.5
96.95985	0.7
105.03568	0.4
129.81252	0.5
132.02150	0.8
133.02937	17.2
134.03793	2.4
135.04503	6.7
137.02440	2.4
161.02423	55.4
162.02769	2.4
178.02658	0.7
179.03497	1.9
265.18396	0.5
276.44568	0.5
287.61249	0.5
289.76620	0.5
389.26004	0.7
407.26886	0.7
605.38617	3.0
623.33978	0.5
624.34485	1.0
625.34814	4.6
649.37354	100.0
650.37738	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	685.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.4
71.76292	0.6
72.70982	0.6
96.95985	1.3
98.20618	1.6
100.41978	0.6
108.57766	0.6
117.03462	0.7
119.05022	0.9
121.02964	3.0
132.02164	1.1
133.02937	20.5
134.03700	1.1
135.04488	5.8
135.65891	0.6
137.02417	1.5
145.02911	0.9
161.02420	74.3
162.02747	2.9
163.03993	1.1
178.02718	0.5
179.03506	3.2
241.23479	0.6
279.23227	0.8
342.84766	0.6
414.73376	0.5
421.30750	0.6
455.31454	0.6
471.34741	0.7
587.36780	1.7
649.37329	100.0
650.37689	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	685.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	2.6
59.68719	0.5
59.78163	0.5
61.98837	3.1
62.52813	0.6
71.01382	1.5
73.02926	0.6
85.02912	0.7
88.98756	0.6
89.02422	0.9
96.95979	1.8
97.81065	0.5
98.19843	1.4
101.02404	1.8
111.00803	0.7
113.02404	0.9
119.05023	7.7
121.02934	0.8
130.31494	0.6
134.03680	1.4
135.04465	1.3
137.02409	1.1
145.02936	3.3
147.04462	0.6
151.03966	1.4
152.04686	0.6
161.02388	2.7
163.03981	9.3
173.10023	0.5
179.03545	0.8
193.04971	1.4
196.52966	0.6
197.02200	8.1
198.02402	0.7
291.08704	3.4
315.12387	0.9
357.13672	0.9
409.30969	1.0
421.12921	1.5
461.14413	1.0
487.34219	100.0
488.34610	14.7
587.39380	1.2
622.51721	0.6
649.39349	1.1
685.37225	29.7
686.37537	7.2
695.86652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40132	0.9
58.26021	0.8
58.83065	0.8
59.01381	5.1
61.98825	6.1
64.79399	0.8
67.01859	1.0
68.99814	1.2
69.03437	1.2
71.01370	2.3
71.05010	0.8
85.02937	2.3
88.98774	2.4
89.02438	2.3
96.95990	2.4
101.02432	3.6
104.19508	1.0
107.47050	1.1
108.02148	0.9
113.02424	1.3
118.59114	0.8
121.02938	2.8
121.10150	1.1
122.03734	1.2
123.00841	0.9
123.04512	2.0
133.02921	2.1
134.03767	1.7
135.04510	4.5
136.00670	1.6
136.01642	18.7
137.02408	2.0
139.11240	1.0
149.06075	1.1
151.03990	23.4
151.05211	1.2
152.04373	1.3
161.02419	7.8
161.04456	1.0
161.06094	0.9
163.03922	1.9
177.05539	0.9
179.03441	2.4
183.10251	5.5
193.05081	1.7
197.02199	7.0
206.18958	0.8
246.92888	0.9
293.09283	1.5
357.13370	22.8
358.13547	3.7
360.28531	0.9
405.31317	1.0
437.30429	1.2
442.51291	1.0
469.33578	5.8
470.33011	1.0
485.32559	3.2
486.32785	1.1
487.34216	100.0
488.34497	14.5
519.06512	0.9
625.38538	1.2
647.28351	4.2
649.28674	1.5
685.24017	3.7
685.37274	39.5
686.26349	1.7
686.37579	7.8
686.87738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.3
61.98821	35.5
62.87894	1.4
71.01377	9.6
73.02929	4.5
85.02937	6.3
88.98795	2.3
89.02450	5.6
96.96011	4.6
97.44389	1.3
101.02425	8.8
113.02402	3.8
132.71046	1.6
133.02931	3.8
134.03700	3.1
135.04521	11.2
136.04785	1.9
137.17236	1.5
161.02409	6.7
161.04521	2.2
170.12787	1.4
179.03493	4.6
193.04976	4.2
328.84702	1.6
341.85165	1.8
379.61768	1.7
487.34787	2.0
622.25739	9.9
625.35944	14.8
626.36078	3.0
631.38672	9.1
649.39362	100.0
650.39813	24.2
685.37061	72.3
686.37488	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	685.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.13103	0.5
57.03448	1.0
59.01368	5.9
61.98830	7.0
62.44597	0.5
67.01886	0.7
68.99812	0.9
69.03456	1.1
70.70309	1.5
71.01374	3.8
73.02940	1.2
76.55727	0.6
85.02951	2.9
87.00863	1.8
89.02443	3.0
93.03465	1.0
95.01392	0.9
95.05045	0.7
97.06621	1.0
99.04530	1.3
101.02439	4.3
109.02928	2.6
111.00874	1.8
111.04578	0.6
111.08068	0.7
113.02443	5.0
117.03474	0.7
119.03475	0.8
119.05003	2.0
121.02936	1.5
123.08144	2.3
125.02460	1.3
125.09689	0.6
127.03981	0.8
133.02956	2.4
134.03717	1.4
135.04524	3.3
137.02484	0.7
137.09679	0.9
139.00313	0.7
141.09105	1.3
145.02910	0.9
149.02399	2.1
149.06067	1.6
150.06848	25.3
151.07236	1.5
153.01936	3.8
153.09161	0.7
155.10674	1.5
160.01672	0.6
161.02451	5.3
161.04575	1.2
162.06776	0.7
163.03995	2.4
163.07629	7.3
164.04784	1.0
164.08418	6.0
165.05542	0.9
168.00682	0.6
171.03027	0.6
171.10248	1.5
173.04533	1.5
176.08405	0.9
177.09181	0.9
178.09930	1.2
179.03459	2.1
179.10759	12.4
187.09724	4.9
193.05011	1.4
197.08215	0.6
201.11235	1.4
205.05043	0.9
223.06055	3.1
257.13861	0.8
259.09692	1.2
285.03943	0.7
291.08749	2.7
299.59286	0.5
313.20255	1.5
321.20663	1.0
322.07120	0.6
325.20044	0.7
335.22156	1.6
341.23276	2.0
343.21130	3.0
361.12723	0.7
461.14221	0.8
462.29868	0.9
475.30182	0.5
476.31198	1.7
477.32126	3.2
493.31686	1.5
504.30975	2.9
505.31509	3.7
511.25537	1.2
522.32007	7.1
523.20068	0.8
523.32666	14.5
524.33057	1.3
623.20081	1.0
655.19659	0.6
667.37415	1.5
685.38043	100.0
686.38446	22.9
686.50317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01366	1.2
61.98820	3.4
69.32118	2.7
69.47029	0.4
69.74673	0.3
71.01345	0.6
74.19926	0.4
85.02943	1.0
87.00849	1.2
89.02415	0.5
96.96011	0.9
99.04495	0.4
101.02399	0.7
111.08163	0.8
113.02448	0.4
114.03969	0.3
119.04979	0.5
123.08131	0.8
127.11266	0.5
135.04504	0.6
135.08096	0.7
136.05260	0.7
137.09700	1.0
149.02408	0.4
149.05997	1.2
150.06847	32.4
151.07114	1.8
155.10732	0.8
160.01680	0.5
160.02946	0.4
161.02388	0.9
161.09695	0.8
162.06799	0.6
163.03990	0.7
163.07626	5.9
164.08406	6.4
165.09019	0.5
171.10298	0.5
176.08267	0.4
177.09167	0.5
178.09930	1.8
179.03505	0.4
179.10754	18.2
180.11096	1.0
183.10320	0.5
184.10995	0.7
193.05118	0.5
196.44707	0.4
201.11400	0.5
278.18787	0.4
306.18246	1.7
321.20700	1.1
341.23151	0.9
343.21167	5.2
344.21536	0.4
350.21213	0.4
459.30872	0.7
462.29745	2.9
477.32092	7.2
478.32465	1.1
504.31012	1.1
505.31686	2.5
522.31830	2.0
523.32666	25.4
524.33148	3.9
649.28717	0.4
685.37921	100.0
686.38245	21.2
686.50275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.9
59.01372	4.8
61.98827	11.1
68.99830	0.7
69.03461	1.3
70.36829	2.4
71.01380	3.8
72.99285	0.8
73.02927	2.0
84.95130	1.0
85.02929	2.2
87.00879	1.5
88.98825	1.1
89.02420	3.6
93.03447	2.4
93.74347	1.1
96.96021	2.0
97.06599	0.8
99.00892	0.8
99.04485	1.2
101.02403	3.4
113.02432	2.1
116.92844	1.0
117.03457	2.4
119.05005	13.4
120.05338	0.9
121.02919	1.2
123.04517	0.8
125.55042	0.7
128.15601	0.7
133.02969	4.1
134.03740	4.6
135.04527	5.2
135.08170	0.9
137.02437	2.1
137.06053	1.0
137.09726	1.4
145.02943	5.0
147.04454	3.6
149.02425	1.7
149.06017	3.7
150.06842	30.6
151.07384	1.4
153.01878	0.9
153.09154	1.3
155.10768	1.2
160.01585	3.4
161.02435	7.8
161.04550	1.3
163.04002	16.9
163.07614	6.0
164.04659	1.4
164.08424	5.9
165.05557	1.7
173.04462	1.7
175.03984	3.8
178.09969	1.3
179.03444	3.7
179.07138	0.9
179.10757	19.0
180.03706	0.8
185.11769	1.0
191.03500	6.1
191.05003	0.9
191.07059	1.8
193.05035	3.3
195.06435	0.7
197.08151	2.4
201.11270	0.8
207.06847	0.7
218.33598	0.7
223.06068	1.2
235.06087	2.2
250.03369	0.8
285.03998	16.3
285.06992	1.2
287.06372	0.7
295.08267	3.0
305.06961	0.9
306.18167	1.8
327.21872	0.8
337.09198	1.7
343.21341	5.0
367.10303	3.8
368.10690	0.9
397.11383	3.1
461.14993	0.9
462.30005	2.0
477.32220	7.3
478.32858	1.3
487.34137	1.5
505.31659	2.5
517.93469	0.8
522.32019	1.3
523.20331	1.0
523.32666	22.7
524.32825	3.6
547.14545	1.0
623.13702	1.3
625.38177	2.1
647.27008	1.5
649.28851	1.6
649.39447	2.2
685.38019	100.0
686.38293	20.3
693.75317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10247	0.8
59.01379	4.9
59.08151	0.9
61.98819	4.4
69.76321	4.0
71.01378	7.2
82.58731	0.8
85.02940	7.0
89.02435	2.1
95.01383	1.5
98.81471	0.8
100.36495	0.7
100.74468	0.8
101.02419	1.5
113.02431	13.8
117.03461	0.9
123.04483	1.3
130.64258	0.9
132.02122	1.4
133.02940	26.8
135.04509	19.8
143.03424	0.9
161.02423	100.0
162.02739	4.8
179.03464	5.0
214.53702	0.9
265.84894	0.9
315.10834	1.7
461.16547	5.8
538.72217	1.4
623.19714	82.6
624.19989	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	686.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.2
61.98817	7.4
68.83763	0.4
68.97279	0.5
69.32905	5.1
70.78168	0.5
71.01369	7.4
73.53747	0.6
76.76172	0.6
83.17415	0.5
85.02945	7.2
89.02422	2.5
95.01381	2.9
101.02417	1.5
109.02975	0.7
113.02431	16.5
113.03225	0.9
117.03484	0.8
123.04517	3.6
124.07002	0.5
132.02165	2.5
133.02939	25.8
134.03319	1.1
135.04506	19.4
136.04807	1.3
150.03178	1.1
152.63341	0.5
153.05548	2.0
160.01646	0.8
161.02415	100.0
162.02748	4.4
165.05528	1.3
175.03989	1.1
179.03494	6.2
181.05032	0.6
193.04993	0.8
195.06822	0.6
223.05893	0.6
233.04558	0.6
251.05646	1.1
294.49554	0.5
315.10806	1.9
323.07642	1.0
337.09381	0.8
457.59320	0.6
461.16632	5.0
491.15430	2.2
623.19678	81.5
624.20032	14.7
651.19244	1.6
686.24481	1.6
690.62286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99721	0.8
59.01379	3.4
60.75816	0.7
61.98817	16.9
71.01375	5.2
85.02950	4.6
89.02431	2.0
95.01384	2.6
100.76390	0.6
101.02434	0.9
105.03432	0.9
109.03060	0.5
111.05561	0.6
113.02435	12.4
117.03454	1.0
122.84827	0.6
123.04520	0.8
132.02141	1.9
133.02940	32.7
134.03319	1.0
135.04517	14.2
153.05495	1.6
161.02419	100.0
162.02802	6.3
179.03401	2.9
287.70358	0.7
315.10855	1.4
461.16644	4.1
598.95203	0.7
623.19684	73.5
624.20044	14.0
716.36273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04095	0.6
59.01379	5.2
61.98823	50.2
65.72793	0.5
69.49440	0.5
71.01378	3.6
71.62705	0.9
72.99286	1.0
73.02940	1.4
75.00936	0.6
85.02932	1.3
88.98786	0.8
89.02412	2.9
93.03417	1.5
96.95978	2.1
99.00856	2.0
101.02417	2.1
107.05032	1.2
111.00808	0.7
113.02444	1.0
117.03436	1.4
119.05010	1.2
121.02916	0.9
125.02438	1.3
133.02937	12.3
134.03757	4.6
135.04507	71.3
136.04831	2.5
137.02435	4.7
145.02888	0.9
149.06049	0.9
161.02422	42.6
162.02765	1.3
163.03955	1.7
167.10774	1.3
177.05527	0.9
178.02664	1.7
179.03474	56.8
180.03786	2.8
190.38145	0.7
193.04941	1.3
207.06544	0.6
221.04605	3.1
223.05956	0.7
251.05612	3.6
285.03998	1.1
293.06659	0.9
311.07635	2.9
353.08716	11.3
354.09253	1.0
370.33441	0.6
383.09784	3.2
395.09702	1.7
413.10971	6.4
437.10532	0.9
455.11862	100.0
456.12149	10.5
473.12921	5.9
487.34167	1.5
488.34735	0.8
623.23492	1.4
650.38379	1.2
651.30493	0.8
685.81927	0.7
686.34082	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	686.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43075	0.4
52.01812	0.4
56.98016	0.6
57.03432	3.3
58.99324	0.6
58.99597	5.7
59.01362	1.9
61.98815	3.5
70.92835	0.7
70.93187	0.8
71.01382	0.7
80.05074	0.4
83.05013	0.5
85.01166	0.8
85.02919	1.1
88.98812	0.4
90.11292	0.4
95.05030	0.6
96.96006	1.2
97.02937	0.4
98.99104	0.7
101.00653	53.7
102.01002	1.1
108.02188	0.6
109.06503	0.4
121.06586	4.0
123.04510	0.7
126.05518	0.6
134.71912	0.4
135.04486	0.9
135.08199	0.6
137.06070	7.2
137.09705	8.3
138.01418	1.4
138.05612	0.5
138.06793	1.2
139.02242	1.0
139.03891	0.4
144.08264	0.5
145.06544	1.3
146.06131	0.5
151.05827	0.5
151.07631	0.9
152.07144	3.1
153.09171	0.9
161.02423	1.8
161.09688	3.3
163.02295	0.5
163.07640	2.7
163.11275	1.2
167.05353	0.6
168.06110	1.2
169.06900	39.9
170.07234	1.7
171.08145	0.7
172.07661	1.1
177.07397	0.5
178.08725	1.9
179.03482	1.3
179.05345	4.5
179.06895	1.0
179.10744	2.3
180.06113	2.6
180.10277	0.7
184.05205	0.5
187.07562	0.8
190.08707	1.1
192.06636	0.5
195.08456	17.9
196.08875	0.7
203.10750	9.5
204.06281	0.6
204.10204	4.6
205.12273	2.2
206.09489	2.6
218.07701	0.5
219.08449	36.8
220.08786	2.2
221.11792	14.5
222.07237	0.4
222.11467	1.8
237.09500	52.9
238.09805	3.5
240.06938	4.9
246.19957	0.4
248.09299	0.5
255.10562	100.0
256.10910	6.3
266.10284	22.6
266.13208	0.9
267.10724	1.0
284.05994	1.3
292.08090	0.5
386.16000	7.4
387.16547	0.8
430.14944	5.5
464.13727	15.9
465.13672	2.6
587.23920	0.5
594.56964	0.5
623.19440	0.5
651.32428	0.9
686.25958	2.8
687.26337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37609	0.1
59.01377	0.9
59.01643	0.2
61.98824	100.0
62.98512	0.2
71.01390	0.7
73.02952	0.3
83.01393	0.2
83.53175	0.1
85.02956	0.5
88.98766	0.2
89.02457	0.3
96.95996	0.2
98.19840	0.4
99.00866	0.2
101.02462	0.7
102.02794	0.2
113.02451	0.4
116.92849	0.3
119.35076	0.1
121.47601	0.2
131.95956	0.2
133.02969	0.2
134.03738	1.5
135.04512	0.8
137.02390	0.3
160.01678	0.2
161.02455	0.7
179.03494	0.7
193.05003	1.9
194.05415	0.2
334.73178	0.2
444.35324	0.1
455.12018	0.6
459.64206	0.2
471.35239	0.3
476.16144	0.2
487.34622	0.2
488.34808	0.2
498.29303	0.2
623.27295	0.5
649.39282	1.9
650.39771	3.3
651.39862	0.3
685.37427	0.4
686.37122	1.8
687.37335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05951	0.1
59.01355	0.6
61.98823	100.0
66.71526	0.1
69.43056	1.0
69.43465	0.4
72.93953	0.2
78.95901	0.2
86.91393	0.2
96.96030	0.3
101.02416	0.2
135.04485	0.3
152.99629	0.3
161.02454	0.7
179.03609	0.2
255.10678	0.3
320.22177	0.2
337.22235	0.2
408.27579	0.2
433.04410	0.2
576.46826	0.2
623.19940	0.4
624.34869	0.2
626.35510	0.5
650.37347	0.3
651.39142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98314	0.2
58.39621	0.2
59.01376	0.9
61.98820	100.0
69.79887	1.7
78.51331	0.2
84.32539	0.2
85.02921	0.3
89.02454	0.2
96.96008	0.7
101.02452	0.3
104.83916	0.2
109.02921	0.3
134.03737	1.2
135.04448	0.4
137.02429	0.5
153.01918	0.6
160.01605	0.4
161.02393	1.0
175.03961	0.3
179.03462	0.4
186.72910	0.2
193.05038	1.7
194.05426	0.7
224.22797	0.3
252.77945	0.3
359.78778	0.3
623.20764	0.3
651.30005	0.6
651.39490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45700	0.1
59.01362	0.5
61.98822	100.0
62.98527	0.2
65.37972	0.1
69.47196	0.1
69.88787	0.6
71.01383	0.4
75.51544	0.1
85.02928	0.1
89.02412	0.1
93.03451	0.2
96.96012	0.5
98.20509	0.2
99.00883	0.1
101.02414	0.6
113.02451	0.1
114.02830	0.1
122.44424	0.1
133.02934	0.2
134.03743	0.3
135.04521	0.4
137.02449	0.2
147.21858	0.1
159.22755	0.1
161.02441	0.6
179.03502	0.2
193.05037	0.4
471.34726	1.6
483.05154	0.1
485.36182	0.6
513.36200	0.2
626.40674	0.2
648.27484	0.2
651.30267	0.1
686.38348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
61.98824	100.0
62.79058	0.3
70.73132	0.3
70.93823	0.4
70.94143	0.5
76.62057	0.3
89.27026	0.3
234.54156	0.3
255.23201	0.6
256.23526	0.6
327.14465	0.5
395.29459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	7.0
61.98818	8.1
68.32162	1.6
71.01379	13.7
71.61614	1.9
73.08392	1.5
78.91868	3.5
84.99255	1.7
85.02941	9.4
87.11146	1.6
89.02428	2.4
93.03427	4.8
95.01353	4.1
106.26701	1.8
108.02167	35.5
109.02939	35.1
109.67198	1.6
113.01688	2.1
113.02425	18.3
121.02915	5.4
121.44008	1.5
122.03668	5.9
123.04516	7.7
123.37430	1.7
132.02130	5.5
133.02945	27.9
134.03760	13.2
135.04512	99.9
136.01590	1.7
136.04802	4.3
137.02431	15.7
138.03157	5.1
139.03955	3.0
149.02409	10.5
149.05978	4.1
150.03206	27.8
151.03886	5.6
152.01134	38.6
153.01921	32.1
153.05525	5.5
160.01625	18.1
161.02422	85.8
161.05943	2.0
162.02704	7.2
164.04749	2.1
165.01868	17.3
165.05563	18.1
166.02702	4.9
175.03949	20.1
177.01926	2.6
178.02679	2.6
179.03470	100.0
180.03909	6.6
181.04964	6.1
185.07990	1.5
189.05489	1.9
193.05084	9.6
195.06583	2.5
203.03479	2.4
205.05038	2.3
220.03464	1.6
227.07257	1.7
233.04433	10.7
235.06026	2.4
245.04572	2.4
251.05530	22.8
262.28857	1.7
269.18134	1.5
271.09595	2.0
297.09738	3.8
305.06711	7.8
323.07614	22.4
337.09152	3.3
341.10172	2.1
367.10303	2.1
487.14853	3.2
489.16312	2.1
490.10941	12.0
491.15305	8.6
495.18234	1.9
505.13412	2.6
624.19757	8.8
651.19214	99.8
652.19427	22.1
687.19025	62.4
688.19110	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	687.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.8
60.99300	16.9
69.28937	2.6
71.01392	0.4
72.03896	0.3
85.13132	0.3
88.98795	100.0
89.02438	0.6
89.99136	1.0
93.03409	0.3
99.32906	0.3
101.02445	0.4
111.00872	0.4
111.04437	0.3
113.02428	0.4
130.29118	0.3
135.04500	0.4
139.00400	0.4
181.11874	0.3
220.26027	0.3
273.07581	0.4
292.65472	0.3
298.62262	0.3
307.08084	2.1
315.08563	0.7
333.09808	0.3
435.12796	0.9
529.44495	0.3
597.18134	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	687.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27563	0.8
54.49625	0.6
56.64972	0.7
59.01376	6.2
65.67085	0.7
70.08484	0.6
71.01380	5.8
73.02946	1.0
75.27360	0.8
78.91890	1.1
83.01356	0.7
85.02942	1.7
89.02457	3.5
93.03463	1.3
93.71097	0.6
95.01403	1.0
95.98161	0.7
98.19807	1.1
101.02438	2.7
107.04979	0.8
107.07142	0.6
108.02139	1.2
113.02448	3.1
117.03457	1.1
119.03461	1.1
121.02934	3.1
122.03748	5.2
123.00829	0.7
123.04516	13.2
132.02153	8.4
133.02962	8.5
134.03743	13.1
135.04524	19.4
136.04834	0.7
137.02435	1.5
146.03745	0.8
147.04530	1.6
149.02414	7.2
149.06056	3.4
150.03210	27.3
151.03836	1.6
153.05563	10.9
159.04449	0.8
160.01640	40.9
161.02429	32.0
162.02846	1.3
164.04774	2.2
165.05556	19.1
166.05887	1.0
175.03976	63.6
176.04538	4.5
177.01823	0.8
177.05482	1.9
178.02664	1.6
179.03461	5.0
179.07045	1.4
180.04251	1.7
189.05629	0.7
191.07089	2.6
193.05060	7.5
195.06622	7.0
205.05086	1.1
219.55630	0.7
221.04590	1.0
223.05974	1.1
229.38168	0.8
235.06090	4.2
251.05513	1.0
260.45932	0.8
281.06589	1.6
297.09872	3.4
299.18442	0.7
315.10770	5.0
319.08777	0.8
324.64078	0.7
337.09241	6.8
341.10229	1.3
383.11179	0.8
439.86288	0.8
489.13876	5.6
490.15054	1.9
491.15543	100.0
492.15802	14.8
505.17255	2.0
533.16913	1.0
545.16681	4.1
551.59253	0.9
639.20752	11.3
640.21204	2.5
651.20844	1.5
687.22473	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	687.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94646	0.3
59.01370	0.9
60.99287	0.8
61.61646	0.3
62.22883	0.3
64.46779	0.3
67.01878	2.6
69.03442	0.7
71.01365	1.4
81.03441	0.6
83.05027	0.5
85.02940	3.5
87.00864	4.9
88.01260	0.4
93.03448	21.3
93.08112	0.4
94.03762	0.7
99.00790	0.3
109.02968	0.6
111.04511	3.3
119.05019	6.4
120.05399	0.4
127.03971	0.9
127.49487	0.3
129.01939	0.5
145.02928	1.2
155.03502	0.8
163.03978	6.9
164.04227	0.4
171.02933	0.4
173.04518	12.1
181.39873	0.3
191.05582	100.0
192.05937	3.9
196.05112	0.3
303.47116	0.3
332.67068	0.3
337.09244	35.6
338.09595	3.5
344.61481	0.3
348.46982	0.4
356.24188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01386	1.4
60.99304	0.7
67.01885	4.8
68.38396	0.3
69.03436	0.8
69.25583	2.1
69.25999	0.9
71.01367	3.2
81.03456	0.9
83.05037	0.9
85.02932	1.3
87.00862	1.2
93.03448	27.6
94.03775	0.9
95.32380	0.3
99.00887	0.3
99.04581	0.3
104.78094	0.3
109.02942	0.7
111.00868	0.8
111.04505	4.7
113.02460	0.4
117.57539	0.3
119.05014	12.8
120.05363	0.5
127.03999	0.6
137.02449	4.3
138.02736	0.3
145.02821	0.3
155.03479	4.3
163.03993	17.6
164.04321	0.8
173.04524	100.0
174.04890	3.6
191.05588	23.1
191.08125	0.4
192.05991	0.8
196.18597	0.3
337.09247	41.3
338.09613	3.9
398.35687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01369	2.6
59.99698	0.4
61.98818	2.6
67.01872	0.7
68.99796	1.5
69.03456	0.8
71.01371	2.7
72.99329	0.3
73.02950	0.9
75.87991	0.4
85.02936	2.9
87.00848	1.0
87.04465	0.6
87.58356	0.4
88.98773	0.4
89.02455	1.3
93.03428	0.7
95.01387	0.6
95.05012	0.7
98.20555	0.9
99.04507	0.8
101.02423	3.8
102.00660	0.4
102.02755	0.6
108.02119	0.6
109.02930	1.7
111.00858	1.9
111.04504	0.5
113.02438	2.3
119.05021	0.5
120.99621	1.5
121.03014	0.6
123.04515	3.6
124.01620	0.7
125.02438	0.7
126.90188	0.4
127.03955	1.0
133.02942	0.6
134.03700	1.5
134.11969	0.4
135.04512	2.7
135.08159	0.9
137.06056	1.1
137.09665	0.8
139.00366	0.7
139.04008	0.6
139.11293	0.9
145.02940	0.6
149.02425	0.4
149.06078	2.0
149.09711	0.6
150.06848	22.0
151.07198	0.9
152.01144	0.6
153.01898	1.1
153.05547	3.7
153.09167	0.6
154.01427	2.7
155.10756	0.9
159.04448	0.4
160.01532	0.5
161.02460	1.8
161.04552	0.8
162.06804	0.5
163.03969	0.6
163.07639	11.4
164.08418	4.4
165.05493	0.6
167.03430	1.1
167.10683	0.4
171.03032	0.4
173.04553	0.9
173.06013	0.6
175.03928	0.6
176.08440	1.0
177.09190	1.3
178.09970	1.0
179.03476	1.5
179.10744	11.2
180.11151	0.5
183.10121	0.9
193.05019	1.5
217.41862	0.4
223.06041	0.8
224.06378	0.4
241.04935	0.5
259.09656	0.7
281.50360	0.4
291.08740	1.9
292.09082	1.5
293.09103	1.1
299.09229	0.5
301.20114	0.8
313.10822	0.5
315.21573	0.6
343.24734	3.0
344.12628	1.8
345.22702	2.7
359.14975	5.6
360.15536	0.5
361.12875	1.0
362.12955	0.9
363.13510	0.9
370.93121	0.4
461.32541	0.6
462.33206	0.5
464.31198	2.1
478.32874	2.4
479.33740	5.6
480.34317	1.0
495.33588	0.6
506.32309	3.9
507.33060	2.5
524.33466	9.0
525.34222	20.1
526.34729	2.8
624.13031	0.4
625.24921	1.1
687.39514	100.0
688.39911	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	687.3949
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
53.68913	0.4
57.03446	0.6
59.01358	1.9
61.98811	1.2
64.36240	0.5
64.96397	0.4
66.78669	0.4
71.01383	0.6
72.88754	0.4
73.02939	0.4
73.96434	0.4
85.02942	1.4
87.00890	0.5
89.02419	0.7
93.03419	0.4
96.30749	0.4
101.02421	0.5
113.02486	0.6
117.52945	0.4
119.04979	1.0
120.99569	0.4
123.04461	0.4
125.02341	0.4
133.02914	0.5
134.03728	0.7
135.04506	1.4
135.08096	0.8
136.05295	0.5
137.09685	0.9
137.96188	0.4
147.04584	0.7
149.02415	2.0
149.06030	3.9
149.09680	0.6
150.06844	33.9
151.03963	0.9
151.07121	2.0
153.09222	0.6
155.10747	0.5
161.02365	1.7
161.09686	0.7
162.06750	0.7
163.04001	1.3
163.07617	8.1
164.04762	2.4
164.08401	6.3
165.09000	0.6
176.08409	0.7
176.26262	0.4
177.09157	0.9
178.09920	1.3
179.03419	1.2
179.10744	17.0
180.11101	0.9
193.05023	0.4
197.07956	0.5
205.05023	0.7
214.96509	0.4
223.06035	4.4
304.25467	0.4
343.24866	1.3
345.22668	3.8
359.14825	0.5
380.26413	0.4
405.95749	0.5
446.29480	0.4
461.32455	0.9
462.33740	0.5
464.31271	4.6
465.31470	0.5
478.32791	1.7
479.33749	7.6
480.34106	1.0
499.14417	1.5
506.32211	1.3
507.33212	2.4
524.33618	2.8
525.34222	26.3
526.34338	3.8
557.08557	0.5
625.24982	1.2
687.39471	100.0
688.39825	19.1
719.80914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60039	0.8
59.01374	10.1
61.98822	42.0
71.01373	9.2
71.62527	0.9
72.99282	0.9
73.02920	1.8
75.49514	0.7
78.61092	0.7
85.02943	7.5
88.98773	1.5
89.02432	5.6
95.01376	2.5
95.79321	0.8
96.95984	1.9
99.00853	2.3
101.02438	4.7
107.04987	2.0
109.02979	1.0
113.02439	10.0
117.03419	2.6
119.05016	4.8
121.02962	1.8
123.04514	1.3
125.02452	0.9
132.02142	1.7
133.02943	33.6
134.02853	1.0
134.03749	18.8
135.04507	91.6
136.04837	4.4
136.38458	0.9
137.02373	1.0
149.06015	1.2
150.03134	1.4
152.07161	1.8
153.09238	1.7
155.10730	1.2
160.01578	1.8
161.02420	79.3
162.02724	3.6
163.04005	9.0
164.04752	0.9
165.05446	0.9
166.08656	1.3
173.04439	1.2
175.03899	1.6
179.03473	62.8
180.03781	2.9
181.82571	0.8
184.66521	0.7
190.04955	1.5
193.05070	11.3
197.08092	3.0
200.07155	11.7
218.07913	0.8
239.10651	0.8
257.12906	5.6
287.80261	0.9
295.37503	0.8
301.11856	6.1
355.12894	3.4
526.19269	8.9
625.24896	100.0
626.15796	1.5
626.25342	19.6
651.22473	1.5
652.23108	3.0
653.24377	4.9
653.37396	3.7
687.39587	1.3
688.22186	27.2
688.39948	2.2
689.22400	6.3
689.34418	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	689.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77818	1.5
59.01368	2.3
59.67315	1.2
61.98843	6.9
63.93859	1.3
70.39738	2.8
70.40068	1.7
71.01377	4.0
79.14262	1.3
85.02955	3.3
89.02422	1.6
95.01389	2.1
96.96012	17.1
105.03472	2.0
109.02876	1.7
113.02423	11.3
123.04548	9.1
132.02115	1.7
133.02945	29.7
134.03725	1.6
135.04518	38.8
136.04794	1.5
149.02402	2.0
150.03227	7.4
151.03992	19.3
161.02426	100.0
162.02736	5.3
163.04042	1.3
164.81618	1.4
179.03477	49.7
180.03833	1.9
181.05128	1.6
193.04964	1.8
199.49152	1.4
203.03609	1.6
335.67596	1.3
337.54510	1.5
338.99191	1.5
459.14844	2.3
487.14435	6.1
621.18127	40.8
622.19006	7.5
626.21857	7.9
627.21521	1.8
651.18695	1.7
653.20856	44.1
654.20917	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	689.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.2
59.52766	0.1
69.74773	0.2
69.75187	0.3
71.01369	0.2
76.28344	0.1
78.95887	0.3
79.95724	3.4
83.26528	0.1
85.02942	0.1
89.02411	0.1
96.95996	100.0
97.95931	0.3
100.98443	0.1
113.02447	0.2
133.02956	0.3
135.04488	0.3
151.03990	0.2
159.68576	0.1
161.02428	1.0
179.03452	0.5
249.11237	0.2
411.16370	0.1
411.91934	0.1
429.17648	0.2
487.14169	0.1
591.22461	0.3
621.18304	0.4
653.20740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02947	0.5
53.34571	0.4
59.01371	1.1
61.98824	0.9
62.07132	0.4
70.89230	1.0
70.89595	0.6
71.01373	1.0
88.48319	0.5
89.03963	1.0
96.96004	2.1
101.02438	1.1
110.61771	0.5
111.00838	0.5
113.02459	0.8
117.03443	5.7
127.03967	0.5
132.02188	1.7
134.03726	74.4
135.04065	2.7
149.06070	5.5
160.01639	8.9
160.17044	0.5
161.02296	0.8
175.03996	7.4
176.04321	0.6
178.02634	0.6
193.05032	100.0
194.05385	4.9
199.11903	0.4
629.27594	0.6
689.31403	8.3
690.31622	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	689.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03702	0.5
59.01374	1.5
61.98826	1.4
71.01365	1.6
73.02909	0.7
85.02917	0.5
89.03969	1.0
96.96004	2.5
101.02437	1.1
117.03465	4.4
119.35558	0.5
121.03751	0.5
132.02150	2.6
134.03726	79.9
135.03981	3.2
137.02406	1.0
149.06065	6.5
160.01633	9.0
161.02296	0.9
161.04492	0.6
175.03970	7.3
179.03522	0.7
193.05031	100.0
194.05405	5.6
229.32521	0.6
386.86533	0.6
528.08020	0.7
607.29565	1.0
629.36792	1.5
689.31696	9.1
690.31543	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87449	4.2
59.01374	21.4
61.98820	26.8
71.01385	13.4
71.61772	6.8
82.71188	3.7
89.02431	12.1
96.95988	21.9
101.02438	13.3
110.24542	3.8
113.02431	5.8
125.02413	5.3
137.02394	5.4
161.02467	6.7
179.05632	7.0
193.43102	5.0
202.84854	4.5
255.23264	34.4
256.23621	4.5
305.08859	8.1
393.19330	5.0
397.13431	100.0
398.13629	9.1
415.14627	28.8
600.35309	5.9
653.37469	13.4
689.34778	84.5
689.44855	7.5
690.35376	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	689.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	23.4
61.98817	44.6
70.34216	7.2
70.75197	21.0
71.01379	14.5
74.35585	7.3
76.09643	7.2
84.87350	6.3
89.02435	12.8
96.95985	22.6
97.41579	6.8
100.87094	7.2
101.02416	17.9
108.14654	7.5
110.08326	7.1
129.74303	7.2
180.34900	7.5
198.56641	8.5
255.23267	44.1
397.13406	100.0
415.14282	23.6
471.34927	17.9
636.86652	8.1
648.16595	8.2
653.37347	19.6
689.35022	67.3
690.35565	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.2
59.01375	1.4
60.99295	0.2
67.01868	0.7
69.03443	0.4
69.82726	1.0
71.01371	1.0
73.02934	0.2
81.03456	0.4
83.04988	0.3
85.02943	5.7
87.00868	1.7
93.03451	5.2
94.03761	0.3
96.96006	0.3
98.20222	0.6
99.04508	0.4
101.02413	0.3
109.02945	0.7
110.84362	0.2
111.04510	1.2
113.02458	0.2
119.05015	3.2
120.70794	0.2
127.03990	1.4
133.02902	0.8
135.04556	1.1
137.02437	0.4
155.03473	0.5
161.02425	1.4
163.03992	4.1
164.04259	0.3
171.02959	0.5
173.04517	6.9
179.03436	0.8
183.00545	0.2
191.05585	100.0
192.05936	4.1
235.00674	0.2
281.10394	0.2
337.09271	5.9
338.09338	0.4
341.12384	0.4
351.07437	0.2
353.08719	13.4
354.09180	1.3
658.16254	0.2
703.23370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46492	0.4
56.47347	0.4
57.03447	0.5
59.01371	1.1
62.18545	0.4
65.26661	0.4
69.23499	2.8
69.23927	1.6
71.01376	0.8
79.95741	0.5
81.03444	0.7
83.05023	0.7
85.02940	7.4
87.00862	1.6
88.98789	0.5
90.04480	0.4
93.03437	5.8
95.05001	0.5
96.96001	9.5
99.04507	4.2
109.02953	1.2
111.04501	3.0
119.05010	37.9
120.05370	1.8
127.03995	2.0
133.02917	1.5
135.04517	3.1
140.18593	0.4
145.02911	1.0
155.03488	1.7
161.02412	1.3
163.03986	74.2
164.04323	4.6
171.02954	0.4
173.04527	8.5
177.01967	0.7
179.03477	1.7
191.05583	100.0
192.05882	3.9
199.99065	0.4
201.11470	0.6
207.90408	0.4
215.05629	0.7
225.81949	0.5
337.09250	43.7
338.09576	3.5
351.07108	1.4
353.08737	9.4
354.08914	1.3
375.16644	1.9
507.81241	0.5
619.11786	0.6
691.19281	1.5
700.73450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01375	3.9
64.64449	0.4
67.01892	3.9
69.03436	1.8
69.26820	0.5
69.39021	0.4
69.51857	3.2
71.01378	4.8
73.02945	1.2
78.95889	0.8
81.03451	0.7
82.32665	0.6
83.05029	1.0
84.61006	0.4
85.02946	5.6
87.00863	1.5
87.33734	0.5
89.02423	1.3
91.44826	0.4
92.53323	0.4
93.03449	26.1
96.75446	0.5
96.96009	1.1
98.20596	1.0
101.02421	1.4
109.02956	1.1
109.22095	0.5
110.63493	0.4
111.00861	1.0
111.04507	5.6
113.02425	1.2
117.03522	0.6
119.04230	0.5
119.05024	7.4
127.03981	1.4
133.02937	1.7
134.03741	2.0
135.04512	46.2
136.04881	1.7
137.02446	4.5
145.02899	1.0
155.03500	4.2
161.02357	2.4
163.03989	9.0
164.04317	0.7
173.04527	100.0
174.04871	4.6
179.03481	44.9
180.03822	1.6
191.05589	33.9
192.06023	1.3
281.10245	1.2
283.55237	0.5
286.46426	0.5
323.13504	1.7
325.09155	1.2
337.09222	9.9
338.09720	1.1
341.12527	1.5
353.08740	60.8
354.09012	5.2
526.27026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55787	0.8
59.01370	1.8
61.98822	10.9
71.61175	1.5
78.95892	28.5
79.95728	4.1
86.35918	0.8
96.95998	100.0
96.96977	3.8
111.16220	0.8
112.40167	0.8
136.93210	0.8
152.99565	31.4
171.00594	1.0
194.93724	2.9
223.00133	3.6
231.82225	0.9
241.01152	9.6
250.96271	1.5
277.21661	15.4
278.22052	1.7
315.04620	4.6
323.06522	0.9
343.19583	0.9
371.00568	2.2
431.02438	6.8
532.38281	1.0
593.27228	56.3
594.27600	10.2
691.35474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46915	0.6
55.01868	1.3
57.03437	1.5
58.00585	1.1
59.01374	24.9
65.05412	0.6
66.76073	0.6
70.09100	0.5
71.01373	21.3
71.60520	1.2
72.99295	1.1
73.02936	5.7
78.29220	0.6
83.01375	3.5
85.02937	9.7
87.00851	1.2
89.01904	1.0
89.02438	13.2
95.01363	1.8
96.95988	1.3
99.00861	2.3
99.04494	1.4
101.02430	17.9
107.08622	1.6
113.02436	10.1
119.03490	5.5
125.09717	6.5
131.03511	0.7
133.43108	0.6
135.04523	1.6
139.93184	0.6
151.07635	17.8
152.07983	1.0
152.88397	0.6
153.05455	0.7
159.02852	0.7
161.04544	2.6
174.59723	0.6
179.03464	1.3
179.05562	1.1
191.05630	1.5
195.06586	1.8
304.10294	0.9
315.10721	0.8
331.13968	14.6
332.14429	1.3
375.12894	100.0
376.13196	9.2
518.64923	0.7
691.19226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39722	0.5
59.01362	2.9
71.01375	1.3
80.36071	0.5
85.02946	0.9
85.39772	0.5
87.00860	1.0
89.02448	1.2
93.03452	1.2
96.95976	0.6
98.20747	0.7
101.02446	0.7
104.38660	0.6
113.02428	1.0
117.03466	10.6
118.27236	0.5
119.05016	84.9
120.05364	3.2
120.64180	0.5
128.51450	0.5
135.04587	0.7
145.02939	60.8
146.03319	3.0
147.04462	0.6
159.04445	0.5
161.06088	1.1
161.08115	0.9
163.03989	100.0
164.04324	5.5
173.04495	1.3
179.03502	1.2
187.03973	2.3
191.05653	2.6
205.04965	0.9
265.07117	1.1
325.09253	37.1
326.09656	3.9
349.18704	0.9
353.08914	1.3
409.64014	0.6
597.20245	0.7
618.86499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28395	0.3
55.21779	0.3
59.01370	4.7
61.49076	0.5
61.98824	1.1
69.39054	1.8
69.39484	1.4
71.01378	2.8
72.99303	0.4
73.02945	1.4
85.02936	0.9
89.02424	2.8
89.03975	0.5
91.05527	1.1
93.03452	1.3
96.95993	2.0
99.00853	1.1
101.02441	1.5
105.03452	0.4
106.04205	0.4
107.05016	2.7
113.02422	1.0
117.03448	1.5
118.53608	0.3
119.05011	0.4
121.02980	0.7
125.02473	0.4
126.83574	0.4
132.02141	0.9
133.02950	18.3
134.03743	9.8
135.04509	100.0
136.04826	4.2
137.02484	1.2
149.06131	0.5
161.02423	48.4
162.02750	2.1
163.03990	0.8
179.03471	58.6
180.03819	2.7
193.05034	1.7
281.06607	0.6
346.47586	0.4
529.35199	1.3
653.22406	1.4
691.29584	73.9
692.29883	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	691.296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54783	0.3
58.89663	0.3
59.01372	4.1
61.98827	3.6
63.14828	0.3
70.62787	0.4
70.63121	0.7
71.01365	2.8
72.99326	0.3
73.02935	1.4
85.02950	1.2
87.00885	0.4
89.02457	1.5
89.03972	0.9
91.05529	0.6
93.03465	0.7
95.01377	0.3
96.95997	2.1
97.02929	0.3
98.95572	0.4
99.00888	0.6
101.02431	2.5
106.04188	0.4
107.05034	2.4
113.02454	0.9
117.03439	1.7
119.05022	0.8
119.18238	0.3
121.03018	0.5
123.04492	0.4
125.02457	0.4
132.02164	1.2
133.02940	19.3
134.03748	9.3
135.04510	100.0
136.04843	4.0
137.02405	0.5
151.03934	0.4
160.05289	0.4
161.02422	44.5
162.02780	2.3
163.04022	1.5
175.03964	0.4
179.03471	50.9
180.03807	2.6
193.05046	1.1
329.13953	0.5
330.14230	0.7
331.14346	0.4
469.28418	0.5
542.16632	0.4
613.86719	0.4
691.29578	72.5
692.29919	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	691.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58871	0.2
53.85332	0.2
59.01374	1.1
61.98829	0.5
71.01378	1.6
71.53646	0.3
72.08411	0.2
72.99300	0.2
73.02962	0.6
73.54890	0.2
85.02950	1.0
89.02466	0.3
89.03948	1.5
96.96009	0.5
99.00892	0.4
101.02435	0.8
106.04284	0.2
113.02447	0.6
116.71688	0.2
117.02619	0.2
117.03453	4.7
118.96146	0.2
120.25685	0.2
132.02179	2.6
134.03728	80.7
135.04048	3.1
149.06068	6.9
160.01642	11.2
161.02017	0.4
161.04605	0.3
175.03981	9.0
176.04297	0.4
178.02695	0.5
193.05034	100.0
194.05379	5.5
278.09113	0.2
289.14963	0.2
317.46814	0.2
322.66422	0.2
331.79401	0.2
367.93567	0.2
468.95547	0.2
497.27780	0.2
691.33221	12.7
692.33698	3.3
706.69836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67806	0.6
56.24445	0.5
59.01373	100.0
60.01706	0.9
61.98821	3.4
62.69078	0.5
68.99556	4.6
71.01376	1.2
71.28291	0.6
71.28638	1.1
92.92804	0.6
96.96019	0.8
97.93143	1.0
104.81863	0.5
112.98560	4.0
114.93395	8.1
114.98955	0.6
115.00370	1.7
133.02979	0.9
135.04536	1.0
147.32532	0.5
151.04088	0.7
161.02422	6.4
176.04813	1.5
179.03494	6.0
191.07169	1.0
194.05801	5.6
209.08165	16.4
210.08621	1.2
215.00348	0.5
219.25974	0.5
247.35274	0.5
277.21939	1.1
291.68381	0.6
381.41254	0.6
633.38422	2.0
655.35522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	12.2
61.98825	29.3
62.56384	4.4
68.26344	7.0
69.57846	24.3
69.58257	11.3
78.95909	5.8
82.02970	7.1
96.96021	10.6
107.17671	5.8
109.81422	5.3
112.03944	5.1
119.05035	11.1
119.18772	6.0
122.02452	14.5
135.04460	5.1
137.06079	38.1
138.05583	10.5
145.02914	8.2
148.18768	5.6
154.96504	5.5
156.05798	8.4
157.06519	9.5
161.02417	9.0
166.05096	11.2
172.81088	5.2
179.03479	7.0
181.12350	5.7
185.09624	7.6
195.13828	5.5
198.07669	11.1
264.10208	6.2
270.87085	6.8
274.14398	6.7
284.09335	9.9
298.10968	7.8
300.12259	10.8
320.09299	21.2
321.09906	16.7
323.11603	6.0
337.18036	61.3
338.18524	10.4
339.19641	46.1
340.19992	5.3
391.22998	10.3
397.51743	5.8
409.20282	17.5
460.24887	100.0
461.25204	16.2
462.26456	13.9
478.25974	76.2
479.25922	12.3
487.34537	7.0
492.27515	97.2
493.27887	16.8
504.23856	80.7
505.23947	14.7
506.25748	7.9
510.28799	37.9
511.29156	6.6
522.24823	29.1
523.25726	6.4
529.26038	12.0
536.26422	73.7
537.26752	12.6
554.27655	66.3
555.28363	9.6
623.19922	6.9
692.33813	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	693.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01363	1.7
60.99284	1.2
65.03942	0.5
67.01878	5.2
69.03448	1.1
69.69533	2.6
71.01363	3.6
72.65769	0.5
81.03427	0.9
83.05020	1.2
85.02938	1.3
87.00876	2.1
93.03444	30.0
94.03803	1.0
98.20056	1.5
98.20631	0.6
99.04485	0.9
101.24789	0.5
109.02926	1.2
111.00858	1.6
111.04504	4.5
113.02466	0.5
119.04221	1.0
119.05014	12.8
126.90388	0.8
127.03988	0.7
129.01973	0.5
137.02431	4.5
155.03471	4.1
163.03986	19.1
164.04324	0.7
173.04523	100.0
174.04857	4.8
177.75145	0.6
191.05589	32.7
192.05894	1.4
211.88412	0.5
241.97154	0.5
252.78735	0.5
337.09244	39.4
338.09647	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	693.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28782	0.5
57.54465	0.5
59.01373	11.9
59.94284	0.5
63.23427	0.5
69.03448	0.6
69.30710	0.6
69.30925	1.2
69.31345	3.2
71.01382	8.2
72.30906	0.5
73.02940	1.7
75.51336	0.7
81.03447	0.9
83.01396	1.1
85.02955	3.6
89.02415	2.7
95.01369	1.4
97.02959	1.1
99.00816	0.7
101.02448	2.5
104.24644	0.6
105.03440	0.6
113.02437	6.6
117.03455	31.3
118.03781	1.8
119.03488	0.7
119.05016	9.4
121.43687	0.6
123.04491	3.7
125.02447	1.3
132.02167	2.2
133.02943	26.4
134.03313	1.2
135.04515	11.1
137.06059	0.9
143.03505	0.7
145.02936	100.0
146.03256	4.6
153.05553	5.5
155.03528	0.7
161.02425	85.6
162.02792	3.3
163.03970	8.3
179.03415	1.7
198.43811	0.6
218.68477	0.5
224.51857	0.5
297.09720	0.7
315.10684	1.3
452.32510	0.6
458.07626	0.6
461.16537	1.6
485.16653	0.9
503.17572	14.4
504.17920	1.7
547.96307	0.5
607.20483	2.0
649.21289	80.2
650.21722	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	693.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48671	0.4
59.01372	7.2
69.31177	2.4
69.31596	1.5
71.01376	5.5
73.02938	1.4
83.01333	0.7
85.02946	2.1
85.38452	0.5
89.02413	1.1
95.01389	1.0
97.02960	0.6
98.20661	0.9
98.38657	0.4
101.02452	1.2
113.02429	5.4
117.03451	39.7
118.03804	1.2
119.03539	0.6
119.04996	8.4
120.05325	0.5
123.04508	4.5
125.02429	1.0
133.02936	1.3
135.04512	8.1
143.03542	0.6
145.02933	100.0
146.03279	4.3
149.56958	0.4
153.05548	4.4
154.74559	0.4
155.03444	0.8
161.02391	3.5
163.03978	7.6
170.05264	0.4
209.82742	0.4
243.57294	0.4
243.85930	0.5
297.09747	0.7
315.10870	0.8
461.16629	1.0
485.16656	1.1
503.17618	13.6
504.17929	1.8
607.20319	0.9
649.21277	42.7
650.21722	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
59.01367	1.4
60.99295	0.4
67.01888	3.9
69.03436	0.8
71.01373	3.4
71.61490	0.5
81.03445	1.2
81.86623	0.3
83.05015	1.0
85.02930	2.2
87.00864	1.5
93.03447	29.5
94.03772	0.9
98.58769	0.3
99.04448	0.3
109.02953	0.9
111.00914	0.8
111.04525	4.6
113.02457	0.5
119.05009	12.2
120.05363	0.4
127.04022	0.5
129.01848	0.3
134.03723	0.6
135.04568	0.5
137.02419	3.6
138.02722	0.4
145.02916	0.4
145.68105	0.3
155.03471	3.7
163.03983	16.9
164.04327	1.0
164.37852	0.4
173.04518	100.0
174.04875	4.0
174.92122	0.3
191.05583	30.6
192.05902	1.3
193.04993	0.9
270.98621	0.3
337.09225	35.8
338.09537	2.8
378.89828	0.4
641.02576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01374	2.8
61.98824	1.1
69.03452	0.3
71.01370	2.4
71.62674	0.3
72.99313	0.8
73.02942	0.9
74.21485	0.2
85.02950	0.5
87.00875	0.7
88.98801	0.7
89.02451	1.5
89.03954	1.9
93.03472	0.5
93.07168	0.2
95.11476	0.2
96.96008	1.1
97.02925	0.2
99.00882	0.9
101.02442	1.3
106.04198	0.2
107.05058	0.2
107.32549	0.2
113.02422	0.4
117.03452	6.4
119.05007	1.0
125.02417	0.6
131.03496	0.4
132.02165	2.2
133.02948	1.0
134.03726	92.1
135.04134	3.2
137.02429	0.8
145.02982	0.6
149.02405	0.2
149.06064	7.2
150.06421	0.3
151.03990	0.3
151.07605	0.4
152.08421	0.7
153.09210	1.0
160.01636	11.2
161.02454	2.5
161.04478	0.4
163.03983	1.7
163.11290	0.4
173.04520	0.4
175.03969	13.0
176.04327	0.9
178.02657	1.5
179.03506	1.5
191.05586	0.6
193.05028	100.0
194.05359	5.3
205.12283	3.2
206.12711	0.3
233.06638	0.5
235.05989	0.3
298.12683	0.3
325.09152	0.3
376.86273	0.2
381.13708	0.3
406.66199	0.2
427.12283	0.3
499.21869	1.0
517.22729	0.6
655.38464	0.3
656.93134	0.2
693.27539	22.0
694.28070	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	693.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04761	0.2
57.03428	0.3
59.01373	4.4
61.98831	2.1
69.27866	2.5
71.01376	2.5
72.99310	0.7
73.02949	0.5
82.61314	0.3
83.05061	0.3
85.02950	0.6
87.00871	0.4
88.98792	0.5
89.02446	1.5
89.03955	2.3
93.03458	0.5
96.96011	1.0
98.95622	0.5
99.00871	1.4
101.02420	1.3
102.22192	0.3
106.04274	0.7
113.02436	0.7
117.03452	6.7
118.03807	0.4
119.05048	1.4
125.02454	0.5
131.03485	0.4
132.02167	2.2
133.02939	0.8
134.03728	90.2
135.04231	2.7
137.02408	0.6
139.04034	0.3
145.02953	0.6
149.04810	0.3
149.06058	7.0
150.03206	0.3
150.06381	0.5
152.08405	0.5
153.09195	1.2
153.64723	0.3
160.01642	11.6
161.02454	2.7
163.03992	1.6
163.11261	0.4
165.05580	0.4
173.04544	0.7
175.03976	13.0
176.04314	0.7
178.02675	0.8
179.03502	1.8
193.05032	100.0
194.05360	5.2
205.12286	3.7
206.12569	0.4
219.58165	0.3
233.06442	0.6
259.31021	0.3
291.16360	0.3
499.21915	0.7
517.22699	0.5
626.22992	0.3
693.27515	21.9
694.28302	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	693.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
58.39313	0.4
59.01380	3.6
61.98826	2.9
67.01906	0.3
70.01540	0.6
70.01929	0.8
71.01375	4.7
73.02937	1.8
83.01365	0.6
85.02940	2.0
87.00874	0.7
89.02425	1.6
91.05552	0.4
93.03459	1.1
93.93228	0.3
95.01405	0.5
96.96004	1.3
98.20599	0.5
99.00898	0.8
101.02429	2.2
107.05019	2.5
111.00894	0.4
111.57449	0.3
113.02435	1.6
117.03438	1.9
119.05025	3.0
121.02936	0.4
123.04503	0.6
125.02406	0.5
132.02174	1.1
133.02942	18.9
134.03746	10.6
135.04510	100.0
136.04834	4.9
137.02435	0.6
145.02936	1.5
149.02467	0.5
149.06108	0.5
150.03130	0.3
152.03477	0.3
160.01682	0.8
161.02426	48.6
162.02731	3.1
163.03975	5.2
173.04562	1.1
175.03955	0.9
176.99438	0.4
177.01915	4.6
179.03476	53.0
180.03790	3.1
186.47003	0.3
190.26503	0.3
193.05023	4.6
194.05464	0.5
221.24374	0.3
247.12392	2.1
279.72427	0.3
285.04037	0.5
291.11249	0.7
296.16144	0.3
308.10501	0.3
469.13248	0.7
519.31665	0.5
589.21991	0.7
693.31110	71.5
694.31531	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	693.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97485	0.3
57.03434	0.4
59.01371	5.8
61.98824	4.9
62.43264	0.3
70.66523	0.7
71.01369	3.6
71.21381	0.3
72.99292	0.6
73.02944	1.6
76.01726	0.3
80.15427	0.3
83.05018	0.4
85.02938	0.9
89.02437	2.4
89.03983	0.5
91.05516	0.5
93.03458	0.9
95.01381	0.4
95.58988	0.3
96.95988	3.4
99.00860	1.9
101.02423	1.8
106.04238	0.5
107.05027	1.9
111.00928	0.4
113.02447	0.9
117.03456	1.9
119.03511	0.3
119.05019	1.2
121.02913	0.4
132.02164	1.1
133.01903	0.5
133.02940	16.8
134.03748	11.0
135.04507	100.0
136.04823	4.1
137.02420	1.1
147.04420	0.3
149.04559	0.4
153.54263	0.3
160.01668	0.5
161.02420	44.5
162.02795	2.3
163.04018	1.8
175.04056	0.4
179.03471	51.7
180.03813	2.9
193.05040	2.0
214.58765	0.3
493.07996	0.4
512.24603	0.3
631.28632	2.6
633.37384	0.6
693.31091	70.5
694.31458	16.1
694.43475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.312
Annotation	Toxicol A
Peak:m/z	Relative Intensity
59.01377	3.8
61.98823	2.7
63.39427	0.3
69.29224	2.8
69.29631	0.9
70.99226	0.3
71.01370	5.1
72.99265	0.4
73.02923	2.2
78.28149	0.4
83.01365	0.8
85.02940	2.2
87.00871	0.8
88.61275	0.4
89.02431	1.4
89.03952	0.9
91.05526	0.7
93.03465	0.8
96.96001	1.4
99.00861	1.1
101.02446	2.5
103.49920	0.4
105.03429	0.7
106.04257	0.5
107.05029	2.4
113.02437	1.3
115.00348	0.6
117.03440	1.9
119.05018	3.0
121.26009	0.3
125.02450	0.5
132.02135	1.0
133.02940	19.7
134.03738	11.5
135.04509	100.0
136.04831	4.8
145.02904	1.3
149.02422	0.6
149.06044	0.6
150.03217	0.5
160.01656	1.2
161.02422	46.1
161.35692	0.4
162.02756	2.6
163.04001	4.3
173.04517	0.8
175.02534	0.5
175.03986	1.3
177.01915	2.5
179.03470	55.2
180.03839	2.8
193.05025	4.1
195.06563	0.4
221.11232	0.5
247.12378	3.3
248.12697	0.5
265.71371	0.4
268.14548	0.4
268.49097	0.4
285.04062	0.5
291.11426	1.3
326.51974	0.4
337.09274	0.7
589.21857	1.0
633.24200	0.4
693.31183	77.0
694.31561	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	693.312
Annotation	Toxicol A
Peak:m/z	Relative Intensity
51.04975	0.2
56.32315	0.2
57.03450	0.2
59.01370	3.7
61.98827	0.9
63.59037	0.2
69.03439	0.4
69.63696	1.6
71.01382	2.9
73.02938	0.8
78.53696	0.2
83.01357	0.3
85.02940	1.4
89.02421	1.5
89.03987	0.6
91.05542	0.8
93.03463	0.4
96.95998	0.8
99.00871	1.1
101.02435	1.9
105.03478	0.3
106.04224	0.3
107.05021	2.4
108.02183	0.3
108.05378	0.2
113.02438	0.8
114.60384	0.3
117.03434	1.6
119.05008	0.6
125.02404	0.4
125.28326	0.3
132.02138	1.2
133.01894	0.4
133.02943	20.1
134.03749	8.5
135.04510	100.0
135.55460	0.2
136.04848	4.1
137.02406	0.4
141.01892	0.3
145.02986	0.4
147.04472	1.1
148.04916	0.3
154.79692	0.3
161.02428	44.2
162.02753	2.6
163.03966	1.2
172.05284	0.9
175.03946	0.3
179.03473	52.0
180.03821	2.6
185.06172	0.3
193.05092	0.3
223.66302	0.2
471.10861	0.5
471.34906	0.3
531.33270	0.7
652.70142	0.3
693.31091	65.2
694.31403	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	693.3117
Annotation	Toxicol A
Peak:m/z	Relative Intensity
58.00655	0.4
59.01369	6.2
61.98813	2.2
71.01374	4.6
71.62592	0.5
73.02942	1.5
83.01368	0.6
85.02948	2.3
89.02438	2.9
91.05524	0.9
93.03429	0.6
96.96024	2.5
99.00884	1.4
101.02429	2.4
106.04279	0.5
107.05022	2.8
107.05656	0.6
113.02465	1.6
113.34216	0.5
113.38306	0.4
117.03446	1.7
119.03468	0.4
119.05011	1.4
132.02161	1.6
133.02940	18.3
134.03754	9.0
135.04509	100.0
136.04845	4.3
145.02921	0.6
159.02954	0.4
161.02425	45.0
162.02776	2.0
163.03998	1.8
179.03471	55.8
180.03833	2.5
189.26862	0.4
191.05621	0.4
193.05055	1.6
200.07280	0.5
212.16733	0.5
222.48691	0.4
227.69531	0.4
596.17383	0.6
631.28247	0.8
633.39410	0.7
635.58380	0.5
693.31116	78.1
694.31573	16.0
694.43738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22734	1.3
51.14639	1.2
52.14309	1.3
55.01857	1.7
57.03435	2.4
57.16335	1.2
58.00580	1.6
59.01374	100.0
60.01689	1.3
61.69998	1.2
61.98826	18.5
69.03434	1.9
69.50996	3.3
69.51422	5.8
71.01374	55.2
71.73355	1.2
72.99282	3.6
73.02940	14.6
78.95907	1.9
83.01382	5.9
85.02944	19.7
87.00873	3.8
88.98813	1.9
89.02438	37.4
90.98560	4.0
95.01378	8.2
96.96014	8.2
97.02978	1.6
98.95561	1.3
99.00879	2.1
101.02433	30.7
107.04066	1.1
107.04999	1.9
111.00873	1.2
111.69195	1.3
113.02439	44.7
114.02763	1.6
116.92832	1.7
119.03500	12.8
119.04958	1.6
125.02437	3.1
129.07458	1.9
131.03488	2.4
133.02937	1.7
135.04498	5.4
137.06059	5.5
143.03456	5.5
149.04584	1.7
150.38245	1.1
152.99553	2.1
161.02489	6.1
161.04543	11.3
179.03452	4.8
179.05582	6.9
191.07405	3.5
211.13097	1.3
229.09717	2.7
252.58804	1.3
258.94876	1.2
261.12384	2.1
351.21399	1.2
427.30405	3.3
445.31375	3.3
501.18820	21.9
502.19031	3.6
518.27698	1.4
588.26422	1.2
589.35889	60.4
590.36255	10.5
607.36884	69.5
608.37067	11.6
649.38141	8.4
693.29272	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	693.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72985	1.3
55.01876	1.9
55.04848	1.3
58.07833	1.4
59.01377	15.3
61.98804	4.6
69.42120	10.4
71.01370	21.2
73.02935	10.6
83.01366	3.2
85.02946	8.8
87.00820	1.3
89.02428	9.8
96.95998	2.7
99.00842	3.8
101.02427	12.4
113.02398	6.8
125.02448	1.9
127.64274	1.5
131.03433	1.5
143.03497	1.7
206.95471	1.9
231.88148	1.5
244.68954	1.5
247.38986	1.6
297.84131	1.8
487.33359	1.5
501.34293	29.4
502.34659	3.5
564.05463	1.8
571.78656	1.4
633.38422	100.0
634.38916	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	32.5
60.01704	0.3
61.98825	0.9
68.99827	0.2
71.01382	1.2
73.02945	0.2
75.63529	0.1
85.02938	0.4
89.02453	0.6
96.96000	0.3
101.02440	1.2
102.58654	0.1
113.02440	0.7
119.03483	0.9
121.02889	0.1
134.03702	0.2
135.04518	0.6
159.87270	0.2
161.02408	0.3
161.04562	0.5
163.04019	0.1
179.03528	0.2
193.05096	0.2
194.49826	0.2
207.11874	0.2
221.06697	0.4
277.84189	0.2
295.74673	0.2
393.31570	0.4
433.38812	0.2
471.34705	100.0
472.35040	16.4
472.41968	0.4
485.36197	0.7
513.35883	0.5
633.40021	2.5
634.40582	0.4
648.18359	0.2
693.31714	0.3
693.41998	1.3
694.32172	0.3
694.42621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29023	0.4
58.00558	0.4
59.01373	32.6
61.71794	0.4
61.98826	5.4
71.01380	2.9
71.62215	0.5
72.99278	0.6
73.02918	0.6
85.02935	1.1
87.73071	0.4
87.73685	0.5
89.02434	1.0
96.96009	2.2
99.00899	0.5
101.02430	1.7
113.02430	1.3
119.03464	0.9
119.04981	0.7
133.02946	2.7
134.03705	1.9
135.04514	14.1
136.04791	0.8
161.02425	5.0
161.04506	0.9
163.03915	0.9
179.03502	6.4
182.38277	0.4
193.05057	1.3
264.29373	0.4
270.42975	0.5
277.94949	0.4
375.16779	0.5
471.34732	100.0
472.35043	15.7
493.01849	0.5
506.46054	0.4
633.40381	4.4
634.39929	1.0
693.31293	7.4
693.41339	1.2
694.31824	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	695.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87182	0.1
59.01356	0.3
60.80056	0.1
68.20926	0.1
71.01360	0.1
73.80476	0.1
78.95908	1.0
79.95731	3.4
82.67574	0.1
89.02439	0.1
93.03439	0.2
96.96002	100.0
97.95950	0.3
101.02456	0.2
104.92850	0.1
111.00897	0.1
111.04578	0.1
113.02499	0.2
118.79488	0.1
133.02966	0.1
135.04504	0.3
153.27553	0.1
159.60590	0.1
161.02417	0.6
167.53381	0.1
173.04517	0.2
175.02548	0.1
179.03502	0.3
214.78853	0.1
219.42563	0.1
307.08228	0.4
375.69806	0.1
382.08881	0.1
389.04764	0.1
597.18048	0.2
695.28992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
71.01359	0.2
78.95892	0.5
79.95727	3.0
79.96179	0.2
85.02942	0.1
89.02425	0.2
93.03452	0.3
96.95999	100.0
97.95941	0.4
101.02435	0.2
108.08385	0.1
117.03526	0.1
121.81400	0.1
134.03731	0.4
135.04483	0.2
142.93437	0.1
146.85843	0.1
160.01509	0.1
161.02400	0.3
163.03992	0.1
173.04506	0.3
175.04015	0.1
177.01903	0.2
179.03465	0.1
193.05003	0.5
211.07607	0.6
265.08707	0.1
307.08151	0.2
307.52042	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	695.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
71.01363	0.6
71.19663	0.6
73.02893	0.3
75.23882	0.3
85.02940	5.6
87.00855	1.3
89.02430	0.5
93.03443	2.5
98.20283	0.3
99.42094	0.3
101.02474	0.3
109.02950	0.5
111.04514	0.9
127.04037	1.4
128.04346	0.3
133.02950	6.4
135.04523	3.6
161.02422	29.2
162.02745	1.5
171.03009	0.3
173.04520	1.4
177.01891	0.3
177.05476	0.5
179.03465	5.7
191.05583	100.0
192.05936	4.3
203.03580	0.3
205.19446	0.3
221.04556	0.6
341.08704	13.9
342.08987	1.5
352.07443	0.5
353.08716	15.1
354.09009	1.8
498.59665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
63.89385	0.2
68.46330	0.2
69.76837	0.6
70.06778	0.2
71.01368	1.0
72.19491	0.2
73.35001	0.2
74.37772	0.2
83.05037	0.2
85.02937	5.5
86.03299	0.2
87.00851	1.0
87.17101	0.2
89.02428	0.3
93.03445	3.0
96.96008	0.3
101.02396	0.2
109.02937	0.8
111.04494	0.7
119.05013	0.4
127.04004	1.6
130.71254	0.2
133.02934	3.4
134.03694	0.3
135.04509	4.5
136.04741	0.3
137.02454	0.2
155.03406	0.2
161.02419	11.7
162.02765	0.6
163.03998	0.4
171.02957	0.3
173.04506	2.3
173.78833	0.2
174.04810	0.2
177.01932	0.2
179.03464	6.3
180.03769	0.3
191.05576	100.0
192.05920	3.7
203.03511	0.3
215.05527	0.4
226.60086	0.2
281.06595	0.4
341.08701	7.9
342.09079	0.7
351.07050	0.7
353.08704	15.9
354.08932	1.5
389.19952	0.2
536.37073	0.2
666.09613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.2
65.50973	0.3
67.01876	1.5
68.36404	0.2
68.42217	0.3
71.01369	1.9
71.60698	0.4
73.02949	0.7
73.63791	0.3
83.05004	0.5
85.02931	7.1
86.93550	0.3
87.00857	1.8
89.02426	0.9
93.03449	8.5
94.03761	0.7
99.04553	0.3
99.08059	0.3
101.02445	0.5
109.02925	0.9
111.04496	1.7
113.02417	0.7
119.04982	0.6
127.03984	1.8
133.02933	4.5
134.03719	0.7
135.04503	20.5
136.04857	0.9
137.02409	1.4
142.61009	0.3
155.03481	1.3
161.02423	14.2
162.02744	0.7
163.04033	0.8
171.02945	0.5
173.04521	26.6
174.04895	1.3
179.03476	19.6
180.03802	1.3
191.05580	100.0
192.05940	3.8
203.03508	0.4
213.81841	0.3
287.83286	0.3
337.09174	0.3
338.09708	0.3
341.08661	7.3
342.09036	0.9
346.67621	0.3
351.07175	0.5
352.07504	0.5
353.08694	33.0
354.09085	3.0
357.11777	0.6
623.19629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41553	0.2
54.34723	0.2
57.03414	0.2
59.01372	1.1
62.33743	0.2
62.95135	0.2
69.41336	1.5
69.41745	0.6
71.01370	0.9
73.02938	0.2
85.02943	5.2
87.00859	1.4
93.03448	2.8
98.98066	0.2
109.02953	0.5
111.04491	0.8
127.03975	1.3
133.02940	1.1
135.04506	2.3
137.02409	0.3
155.03452	0.4
161.02417	3.4
167.18672	0.2
171.02898	0.5
173.04518	4.2
179.03455	2.4
180.03691	0.3
191.05580	100.0
192.05911	3.6
315.61710	0.3
341.08630	0.7
351.07104	0.2
353.08643	21.7
354.08917	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98813	0.4
67.01885	0.3
68.99811	5.3
69.60342	1.4
71.01382	0.7
72.99979	0.2
73.02943	0.2
82.07220	0.2
85.02940	0.4
89.02434	0.5
89.03956	1.9
93.03413	0.2
96.96000	2.4
101.02426	11.2
102.02784	0.3
106.04219	0.4
107.05029	0.3
108.02123	0.2
111.04583	0.2
117.03448	5.8
117.04247	0.4
118.03757	0.3
118.99462	0.2
119.03609	0.2
119.05017	0.8
123.04507	2.9
124.04836	0.2
125.02379	0.3
127.04025	0.3
132.02142	2.4
133.02946	0.8
134.03720	80.4
135.04018	3.1
137.02444	0.5
149.06061	6.4
160.01636	7.4
161.02397	1.3
163.03976	0.7
166.61813	0.2
173.04483	0.6
175.03973	7.7
176.04269	0.4
178.02679	1.7
179.03439	0.5
193.05019	100.0
194.05347	5.6
225.07648	10.4
226.07932	0.7
318.44305	0.2
318.47787	0.2
321.96857	0.2
345.16269	0.2
357.32010	0.2
373.87338	0.3
419.14746	0.3
429.13211	0.2
454.06750	0.2
501.15839	0.6
503.17084	0.4
521.20099	0.7
676.65643	0.2
695.21234	5.3
696.22131	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
59.01380	4.9
61.98823	5.4
67.72826	0.5
71.01371	6.0
72.99288	0.6
73.02937	1.6
83.01416	0.9
85.02943	2.8
87.00886	0.9
88.98769	0.4
89.02431	1.6
89.03951	0.8
93.03429	1.4
95.01402	0.6
95.05003	0.4
96.96005	1.1
97.02921	0.9
98.19793	0.8
99.00877	1.0
101.02441	3.7
101.10015	0.4
108.02171	1.4
109.02954	1.1
113.02458	2.1
113.03626	0.6
114.01991	0.8
117.03448	7.0
118.03761	0.7
119.05015	44.0
120.05355	1.4
121.02937	3.0
122.03714	0.9
123.04526	1.2
124.01595	0.4
125.02435	0.4
128.03540	0.6
130.54538	0.4
132.02159	23.8
133.02982	4.3
134.03731	34.4
135.04552	8.5
136.01648	40.6
136.04834	1.5
137.02480	3.1
139.03951	0.6
145.02936	17.2
146.03300	0.5
147.04514	1.5
148.05257	0.4
149.06070	6.2
151.03989	38.2
152.04361	1.7
159.04436	0.9
160.01639	93.5
160.05261	1.4
161.02333	6.8
161.05949	0.5
162.02986	1.0
163.03990	69.0
164.04335	2.9
164.07146	0.5
173.04491	0.7
175.03979	100.0
176.04420	6.2
177.05502	1.3
178.02696	2.1
178.05168	0.4
179.03479	3.4
180.03844	1.0
180.79132	0.5
187.04054	0.7
189.05637	0.8
190.06317	0.9
191.05545	0.8
191.07045	3.3
193.05031	31.1
194.05339	3.7
195.26801	0.5
202.02707	1.0
217.05046	1.6
235.06067	2.3
251.07407	0.6
265.07150	1.1
277.07120	0.8
279.06616	0.9
294.08972	1.1
295.08224	1.0
309.07822	0.6
309.11115	0.5
312.09924	2.0
313.10608	0.9
322.06979	0.6
327.12332	6.6
328.12692	1.3
337.09241	99.4
338.09546	9.5
339.12442	1.1
342.11081	2.1
343.11792	11.0
344.12085	1.4
357.13376	11.9
358.13644	1.3
367.10358	0.5
381.61368	0.5
488.81815	0.5
519.14429	0.6
522.03821	0.4
531.27966	0.8
534.18042	0.5
665.22504	0.8
678.23077	0.5
695.23279	37.8
695.33026	15.4
696.23193	11.5
696.33557	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
63.15034	0.3
69.03464	0.3
71.01382	1.9
71.07561	0.7
71.39688	0.3
81.15855	0.3
85.02963	0.6
93.03436	1.3
95.05067	0.3
105.03464	1.0
107.05011	0.6
109.02941	0.6
111.00891	0.4
113.02460	0.7
117.03437	1.8
119.05004	0.8
121.02953	9.7
123.04526	0.6
132.02176	2.3
133.02943	42.4
134.03670	2.8
135.04515	31.4
136.01678	0.5
136.04849	1.4
137.02434	1.3
139.03966	0.4
147.04564	0.5
149.06027	1.6
151.04056	0.7
159.04543	0.7
160.01619	0.5
161.02431	100.0
162.02760	4.7
163.04015	1.5
175.03989	1.3
177.01967	0.5
177.05539	3.8
178.02600	0.9
179.03487	16.4
180.03804	0.7
189.05518	0.4
193.05058	1.4
200.85420	0.3
203.03481	1.2
220.03726	0.9
221.04532	2.6
233.00504	0.3
253.80684	0.3
256.74673	0.3
263.05643	0.7
280.05832	1.0
323.07657	20.2
324.07898	1.6
337.09039	0.8
356.12555	10.0
357.12982	1.7
365.02774	0.4
371.15024	2.5
695.23309	58.9
696.23651	11.5
696.33698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08957	0.5
52.82387	0.5
55.20382	0.6
59.01382	4.3
59.96230	0.6
61.98827	3.8
67.18171	0.6
68.42947	0.5
70.02983	0.6
71.01381	5.4
73.02934	1.0
73.42210	0.6
83.01351	0.7
85.02943	1.8
89.02442	1.2
93.03478	0.7
95.01402	0.6
96.96035	0.6
99.00888	0.7
101.02431	2.8
108.02173	1.5
109.02946	1.0
113.02438	2.0
116.92806	0.8
117.03445	6.9
119.05014	38.6
120.05341	1.4
121.02954	2.0
122.03734	0.8
123.04549	0.7
132.02158	20.7
132.03148	1.1
133.02985	3.5
134.02687	1.4
134.03729	31.8
135.04564	6.8
136.01646	38.6
136.04825	1.1
137.02400	2.5
138.74260	0.6
145.02942	15.0
146.03346	0.7
147.04457	0.9
149.06064	4.8
151.03989	34.3
152.04343	1.2
159.04497	1.5
160.01636	86.2
161.02376	6.3
162.02985	0.9
163.03989	59.1
164.04256	3.0
175.03975	90.1
176.04359	4.6
177.05580	1.0
178.02654	2.0
179.03458	3.2
180.03844	1.2
188.04837	0.7
189.05534	1.5
191.07138	2.5
193.05029	26.0
194.05392	2.6
201.05623	0.6
202.02643	0.8
207.06570	0.7
217.04980	1.8
235.05962	1.5
259.06088	0.7
265.07208	1.0
271.88144	0.6
279.06622	0.8
294.09033	0.7
309.07709	0.8
312.10025	1.8
313.10794	1.0
323.07715	0.6
325.09436	0.9
327.12341	6.7
335.51917	0.7
337.09247	100.0
338.09622	8.8
340.70633	0.6
342.11069	1.7
343.11810	10.3
344.12222	1.6
357.13367	10.4
358.13712	1.3
365.21054	0.8
531.27679	1.0
601.86169	0.6
695.23334	34.8
695.33105	16.3
696.23676	9.8
696.33563	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	695.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86172	0.4
59.01378	2.7
59.65162	0.4
61.98822	1.0
70.12768	0.9
70.13158	1.1
71.01379	2.2
73.02949	1.0
85.02963	0.9
85.52612	0.4
89.02467	0.7
93.03476	1.4
96.96003	0.9
98.20718	0.3
100.86934	0.5
101.02441	1.5
104.02717	0.4
105.03461	0.7
107.05001	0.4
109.02950	0.7
113.02456	0.9
117.03469	2.1
119.05016	2.5
121.02937	11.0
123.04478	0.8
125.07441	0.4
129.14954	0.4
132.02161	3.0
133.02945	45.9
134.03851	3.5
135.04515	38.0
136.01666	0.7
136.04855	2.3
137.02411	0.8
145.02899	0.9
147.04529	0.9
149.06061	1.5
151.03983	0.7
159.04488	0.4
160.01692	1.2
161.02428	100.0
162.02769	6.1
163.04019	5.0
164.04335	0.7
172.05205	0.4
175.03952	1.6
177.05566	3.0
178.02661	0.9
179.03482	18.7
180.03851	1.6
193.05014	2.0
203.03423	1.0
221.04581	2.9
263.05542	0.7
266.56659	0.4
280.05838	0.9
323.07663	27.2
324.07968	1.6
337.09195	1.1
356.12592	10.0
357.13019	1.5
371.14938	2.2
391.86441	0.4
407.17508	0.4
408.28314	0.4
475.88779	0.4
528.79956	0.4
621.85468	0.4
626.16687	0.4
695.23022	58.2
696.23474	14.0
696.34766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.2
57.03439	6.7
58.00587	3.4
59.01372	69.8
60.01714	0.7
61.98826	1.9
67.01895	1.3
68.99828	0.9
69.03447	3.5
69.43033	1.2
69.43440	4.8
71.01373	100.0
72.01695	1.5
72.99299	4.5
73.02942	15.0
75.00861	0.7
81.03451	2.0
83.01372	13.0
84.02164	1.0
85.02941	55.9
86.03250	1.0
87.00867	12.2
89.02432	63.1
90.02766	0.7
93.03447	9.8
95.01382	9.7
96.96001	5.7
97.02930	6.6
99.00869	33.8
99.04471	1.1
100.01183	0.9
101.02429	74.0
102.02782	1.2
109.02940	2.8
111.00864	0.9
111.04490	1.0
113.02435	68.1
114.02760	0.9
115.03995	0.8
117.03410	1.6
119.03489	26.4
121.02940	27.8
122.03764	0.8
123.04543	0.8
125.02427	6.7
127.03999	0.7
129.01926	1.3
131.03488	3.9
132.02118	0.9
133.02925	2.4
134.03723	12.2
135.04529	4.4
136.01683	1.1
137.02426	7.4
143.03482	25.2
145.02916	2.2
147.04449	0.8
149.02393	1.8
149.04520	2.7
149.06093	1.3
151.03961	1.4
155.03462	2.1
159.02975	4.2
160.01625	1.9
161.02594	5.3
161.04535	69.1
162.03314	0.7
162.04887	2.7
163.04012	3.3
164.04730	1.4
165.01718	0.7
167.03487	1.1
173.04541	6.4
175.03920	2.2
179.03488	1.9
179.05576	18.0
179.07152	1.1
181.05014	1.2
183.10170	1.0
191.05597	3.5
193.05029	13.1
194.05421	0.7
203.05606	2.8
205.03540	1.5
221.06619	9.6
223.06062	1.7
245.06773	3.4
263.07602	2.0
285.03888	1.3
323.09775	97.2
324.10190	7.2
336.97552	0.9
349.09201	1.2
356.12595	24.2
357.12943	2.6
371.14941	12.2
372.15424	1.5
445.72168	0.8
524.15594	0.8
605.18500	0.7
632.19934	0.7
695.26428	6.8
696.25989	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	695.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
59.01371	1.5
67.01897	0.4
69.03442	2.0
69.65452	2.0
71.01350	0.9
73.02933	0.5
73.61982	0.3
74.05501	0.3
74.95867	0.3
83.05037	0.4
85.02941	5.9
87.00885	2.0
89.02423	0.4
93.03437	3.9
95.01359	0.4
96.96004	2.0
109.02937	0.7
111.04498	1.3
111.08123	0.4
113.02427	1.0
118.60936	0.4
119.05016	0.9
120.48991	0.3
127.04016	1.6
133.02921	1.0
134.03697	0.3
135.04520	1.2
137.02415	0.6
139.11270	2.5
145.02917	0.9
155.03502	0.9
161.02402	2.6
163.04002	1.4
165.05641	0.4
171.02950	0.6
173.04536	2.1
175.03972	0.4
179.03374	0.3
183.10220	12.7
184.10573	0.8
191.05577	100.0
192.05914	3.8
192.42740	0.4
215.85210	0.3
245.16518	0.3
337.09238	28.3
337.72046	0.4
338.09628	2.4
357.15466	9.3
358.11639	0.4
358.15900	0.8
386.65887	0.4
623.19891	1.0
663.94977	0.4
695.22369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79441	0.4
51.00081	0.5
54.24097	0.5
55.44636	0.7
55.53312	0.5
57.03443	1.7
59.01378	2.8
60.99302	0.9
67.01878	3.8
69.03442	0.7
70.35777	1.8
71.01371	3.8
72.97202	0.5
81.03452	0.9
83.05017	3.0
85.02945	2.1
86.81119	0.6
87.00857	0.8
87.19476	0.5
89.05597	0.5
90.08372	0.5
92.35637	0.5
93.03445	23.3
94.03815	0.6
96.96022	1.6
98.19879	0.7
98.20427	1.0
99.00864	0.5
101.02419	0.6
106.15210	0.5
109.02950	1.0
109.06588	0.7
111.00887	1.3
111.04506	4.6
111.08147	20.1
112.08504	0.8
113.02434	2.2
119.79948	0.5
127.04006	0.6
129.09186	0.7
133.02946	4.7
135.04512	3.1
136.04874	0.5
137.02455	5.0
143.32848	0.6
155.03468	4.7
161.02426	12.5
162.02780	0.8
163.03903	0.8
167.94188	0.5
173.04526	100.0
173.08136	23.5
174.04922	3.8
174.08372	0.6
179.03510	1.2
189.01944	0.6
191.05579	3.8
193.06078	0.6
291.00217	0.6
347.13406	72.1
348.13733	5.7
411.12955	0.7
461.16376	1.0
623.19623	7.6
624.19775	1.3
683.14996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37174	0.3
59.01373	8.5
61.98817	0.9
71.01377	4.7
71.62629	0.5
72.95783	0.3
72.99337	0.6
73.02952	0.6
77.52260	0.3
83.01378	0.5
85.02949	1.7
89.02438	2.9
89.03960	0.6
93.03449	1.3
95.01364	0.6
95.05031	0.6
96.96004	5.4
101.02450	2.7
105.03432	0.5
109.02946	0.6
113.02424	2.0
116.92762	0.4
117.03455	2.2
119.03513	1.1
119.05021	1.4
119.61893	0.4
121.02887	0.6
123.04500	0.9
128.03522	0.5
132.02180	1.9
133.02943	38.9
134.03766	8.2
135.04520	20.1
136.04828	1.4
137.02336	0.9
145.02928	1.5
148.05194	0.5
149.06125	2.0
150.03271	0.6
151.03963	0.6
158.63849	0.4
160.01645	2.3
161.02423	100.0
162.02765	4.8
163.03955	0.7
165.05602	0.6
173.04521	1.3
175.03941	3.4
177.01901	0.8
177.05545	3.0
178.02415	0.7
179.03474	16.2
180.03885	0.9
183.93655	0.4
185.09862	0.4
191.05569	0.8
193.05028	8.0
203.03450	0.5
211.07790	0.4
221.04509	4.5
222.35248	0.4
223.07651	0.6
251.05637	1.7
281.06625	2.6
292.11954	0.8
341.08783	0.7
357.13464	0.6
460.44305	0.4
487.16254	0.6
515.22888	3.8
516.23138	0.5
521.19946	0.5
623.19702	6.5
624.20154	1.5
639.43323	0.4
657.28033	1.3
659.28845	0.6
659.39880	0.5
695.29199	67.8
696.29535	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	695.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07055	0.5
55.78368	0.5
59.01371	100.0
60.01703	1.0
61.98819	3.0
72.06431	0.4
78.95893	8.1
79.17038	0.5
98.20251	3.8
107.52272	0.5
110.34072	0.5
150.80153	0.5
176.80077	0.5
205.15877	0.9
301.29141	0.5
492.55133	0.6
543.59979	0.5
677.23663	0.6
695.31036	47.3
696.31268	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	695.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41810	3.1
58.00591	4.1
59.01096	5.1
59.01375	93.9
71.01372	57.1
71.61391	3.9
71.92165	3.3
72.05777	3.4
72.99304	3.8
78.95895	5.1
83.01389	4.0
85.02942	77.1
89.02429	72.6
89.02982	4.9
95.01390	4.3
96.95983	9.8
101.02427	33.6
105.03406	3.5
113.02425	32.5
116.66611	3.3
119.03474	27.4
119.04954	7.8
121.02916	8.1
121.10204	5.5
131.03455	3.4
133.02948	42.5
134.03722	7.9
135.04506	48.7
143.03455	6.8
149.02533	5.0
161.02422	100.0
161.04535	11.0
162.02786	7.0
163.03969	10.6
179.03465	71.7
179.05569	56.6
183.10240	46.1
185.78180	3.2
193.04898	5.6
243.39438	3.4
278.06671	11.3
363.16556	66.8
364.16858	10.1
487.14343	3.4
533.18842	4.5
577.78345	3.6
623.19348	10.9
651.19720	9.7
659.19989	5.4
695.21692	15.6
696.21515	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	695.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73341	1.5
52.93322	1.3
55.81786	1.5
59.01374	100.0
61.98825	59.2
69.37094	12.9
96.96001	3.1
112.20733	1.4
121.02938	4.2
145.03000	2.5
148.92595	1.6
149.02444	10.6
150.03258	5.1
161.02449	5.6
162.03226	8.6
164.04765	6.9
165.05518	6.5
177.05469	1.8
177.50087	1.2
180.04263	2.1
181.36449	1.5
195.06570	14.4
222.15727	1.6
230.94855	1.5
256.96921	1.4
277.21680	57.2
278.22046	4.8
298.83386	1.7
317.21262	2.1
410.24420	1.8
425.26926	31.4
426.27228	6.4
455.27939	71.2
456.28436	14.1
471.34683	4.1
473.28979	4.7
613.35461	2.1
695.35895	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	695.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.04627	1.9
57.03450	2.1
59.01372	100.0
60.49718	2.1
61.98822	80.4
71.01369	47.2
71.61765	3.9
72.99287	2.3
73.02937	16.6
73.88860	2.0
83.01369	11.7
84.39125	1.8
85.02945	21.3
86.00092	3.1
87.00883	4.1
89.02435	6.6
89.14413	2.0
93.03476	2.8
95.01355	3.1
96.96005	9.3
97.02958	4.0
97.92021	1.9
99.00864	7.7
101.02434	36.1
111.00892	6.4
112.01659	2.2
113.02452	23.7
119.32338	2.0
121.38894	2.2
125.02431	8.3
133.02940	7.9
134.03735	7.0
135.04529	32.5
143.03549	3.4
152.03532	5.9
159.02931	4.6
161.02440	21.5
161.04565	8.2
162.02713	2.4
163.03958	3.2
167.03445	4.1
170.11971	2.3
179.03465	16.8
180.03876	3.7
193.04991	7.6
211.13354	2.7
214.90204	2.1
218.52014	2.1
249.15118	2.1
293.51041	2.4
301.80322	1.9
413.17105	4.0
447.32941	7.1
472.35013	4.0
473.36127	27.3
474.36765	4.2
545.56238	2.1
591.37372	96.5
592.37909	18.5
609.38519	89.2
610.38690	18.3
635.40961	11.3
651.39758	19.4
652.39709	3.0
694.83856	5.3
695.33240	26.5
696.32874	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	696.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47685	0.1
59.01371	0.8
61.98824	100.0
69.57447	1.1
71.01389	0.2
76.37111	0.2
85.02917	0.2
87.56883	0.2
88.98824	0.2
91.57501	0.2
113.02436	0.3
114.99287	0.1
121.02972	0.2
133.02974	0.6
134.03722	0.2
135.04536	0.7
153.05637	0.2
156.02780	0.2
161.02420	1.8
210.70651	0.2
253.21851	0.3
279.23270	0.3
390.21362	0.2
444.21198	0.2
457.29608	0.5
461.17386	0.2
633.37817	5.1
634.38348	1.5
697.38464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12630	0.2
59.01363	0.4
60.96541	0.2
61.98822	100.0
66.87911	0.2
70.99292	0.5
96.96007	1.1
116.92864	0.8
117.92902	0.5
118.92694	0.7
119.94702	2.0
133.02983	0.5
135.04538	0.8
161.02438	1.7
247.02025	0.3
264.80759	0.2
277.21649	0.3
323.82883	0.3
540.77203	0.2
576.32593	0.4
633.37817	2.7
634.39185	0.4
696.27655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	100.0
69.38367	0.2
69.93208	0.2
71.18725	0.3
71.19074	0.2
116.92880	0.2
130.38983	0.2
133.02936	2.9
133.03857	0.3
134.03719	0.3
135.04500	0.9
137.02477	0.3
161.02412	9.6
162.02754	0.4
179.03479	0.2
229.76245	0.2
242.57581	0.2
249.21126	0.2
633.37817	22.5
634.38171	4.6
698.61377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09439	0.2
59.15819	0.2
60.16477	0.2
61.98824	100.0
62.98537	0.2
77.22195	0.2
98.20629	0.4
132.02188	0.2
133.02948	3.9
134.03728	0.4
135.04492	1.3
137.02417	0.5
161.02429	12.7
162.02760	0.5
175.02194	0.2
179.03395	0.3
245.50803	0.2
276.44107	0.2
633.37848	28.4
634.27655	0.4
634.38147	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	696.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02750	0.2
59.01377	0.1
60.74099	0.2
61.98820	100.0
62.98538	0.2
71.01355	0.2
71.62078	0.2
78.95898	0.4
80.96498	0.4
83.27391	0.1
96.70056	0.1
96.96021	0.4
98.86146	0.1
119.39864	0.1
119.62822	0.1
119.92720	0.1
152.99577	0.3
161.02434	0.3
177.02734	0.2
234.98320	0.2
538.71576	0.2
577.26971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	100.0
71.41650	0.3
76.29092	0.1
81.71702	0.1
96.95985	0.3
102.33252	0.2
107.95229	0.1
174.40439	0.1
183.96931	0.1
305.93869	0.2
323.64429	0.1
472.35168	0.2
527.91479	0.2
555.24323	0.2
652.35907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14896	0.2
59.50479	0.2
61.98824	100.0
62.98530	0.2
67.52447	0.2
71.61813	0.2
78.95895	0.4
80.96488	0.4
90.26619	0.2
96.95999	0.3
133.02960	0.3
145.03004	0.5
148.92537	0.2
152.99588	0.3
161.02431	0.3
253.51987	0.2
294.42947	0.2
296.37363	0.2
365.82181	0.2
423.67709	0.2
577.27667	0.4
633.38275	0.6
662.36499	0.2
696.30029	0.2
713.56506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42653	0.1
58.95122	0.1
59.01370	1.6
61.98823	100.0
71.01396	0.3
80.35258	0.1
85.02985	0.2
93.54198	0.2
94.40611	0.2
96.96004	0.2
101.02444	0.3
119.05037	0.3
134.03699	0.3
135.04541	0.3
145.02940	0.2
148.18575	0.1
149.19118	0.1
150.55881	0.2
163.04021	0.4
193.04958	0.2
211.06711	0.1
223.15407	0.2
289.85727	0.2
471.34796	0.2
472.35291	0.6
473.35455	0.7
474.35791	1.2
565.12091	0.2
566.55963	0.2
607.39240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97184	0.8
58.87923	0.8
59.01368	10.4
61.98806	1.5
62.23672	0.7
62.95279	0.7
65.78090	0.7
69.27712	6.1
69.28117	2.1
71.01373	9.2
73.02944	1.5
75.16859	0.8
76.17407	0.9
83.01388	0.8
85.02947	8.2
87.00896	0.8
89.02415	3.6
95.01369	2.4
96.96025	0.8
99.00816	0.8
101.02409	1.9
101.97063	0.8
113.01697	1.0
113.02440	14.7
117.03439	1.0
119.05017	1.2
123.04484	2.5
133.02168	0.9
133.02939	9.1
134.03644	0.8
135.04503	17.7
136.04750	0.8
140.99487	0.8
143.03415	1.3
145.02904	1.5
147.04485	2.7
151.03923	1.1
153.05547	1.5
159.04437	0.9
160.01616	3.6
161.02426	27.4
161.04520	1.8
162.02647	1.0
163.03969	4.8
165.00078	2.3
173.02376	2.0
173.04539	1.0
174.03093	2.2
175.03952	14.3
177.01941	0.9
177.05608	1.4
178.02895	0.8
179.03421	2.5
181.05051	1.4
189.00407	1.0
189.01906	23.3
190.02243	1.1
191.01727	2.1
191.05551	1.3
192.99606	32.1
193.05121	0.9
193.99957	1.9
201.01904	10.5
202.02390	1.0
203.03430	1.3
209.02747	10.7
216.99684	4.1
219.61989	0.8
235.00662	38.1
236.00928	2.1
250.66229	0.7
253.01752	3.6
297.09637	0.8
315.10818	1.2
394.90640	0.8
397.59927	0.8
461.16589	1.8
579.06549	0.9
697.17914	100.0
698.18158	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	697.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01372	1.7
71.01377	1.4
72.72623	0.2
73.02946	0.2
83.05016	0.3
85.02941	6.5
87.00875	1.1
89.02435	0.8
93.03458	2.4
96.96019	0.5
99.04492	0.3
101.02426	0.9
109.02950	0.7
111.04503	0.4
113.02420	0.3
119.05032	0.4
127.03990	1.8
133.02946	3.0
134.03789	1.2
135.04518	10.2
136.04796	0.7
137.02457	0.4
161.02431	10.8
162.02774	0.4
163.03999	0.4
163.06094	0.4
171.02937	0.4
173.04527	2.4
179.03484	8.9
180.03795	0.4
181.07150	1.4
191.05588	100.0
192.05927	4.8
193.06108	0.7
215.05545	0.4
288.06750	0.3
293.12637	0.2
315.74304	0.2
343.10291	16.1
344.10611	1.6
351.07233	0.5
353.08722	16.9
354.09119	2.1
355.09189	0.3
441.41098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82472	0.8
55.01831	0.9
58.00572	1.0
59.01367	21.8
60.99300	14.1
61.98794	2.7
67.01875	8.6
68.99776	3.6
69.03442	6.8
69.58630	2.0
69.59035	3.9
71.00996	1.0
71.01371	18.1
72.99282	1.3
73.02596	0.7
73.02929	5.9
75.00833	1.1
75.57586	0.8
81.63329	0.7
85.02890	3.6
88.98796	81.4
89.02432	39.5
89.03926	1.4
90.02724	1.0
91.05516	1.1
93.03411	1.1
95.05020	16.0
96.95989	1.5
99.00255	1.1
99.00864	15.6
99.04453	1.0
101.02427	20.0
106.04202	0.9
107.05008	1.2
111.00870	8.2
113.02379	3.4
117.03387	2.5
119.03465	1.2
119.04996	4.3
121.02940	30.8
121.06538	1.7
123.04504	8.1
125.02365	2.5
127.03149	1.0
127.04001	14.1
131.03506	6.4
132.02101	1.7
133.02948	33.1
134.03746	11.5
135.04510	91.7
136.04776	3.7
137.05966	1.0
138.99478	0.9
139.00368	9.4
139.03935	2.3
144.14124	0.8
145.02904	1.9
147.04410	1.2
149.02390	1.8
149.04536	24.8
149.05806	1.3
161.02426	77.1
161.04475	3.2
162.02684	3.3
163.03909	3.7
163.24043	0.9
165.05569	4.6
173.04482	1.9
175.03880	1.0
177.05435	1.2
178.02623	1.7
179.03477	49.1
180.03679	1.6
191.05576	5.7
193.05032	8.3
215.03404	2.2
221.06491	3.4
223.05957	3.3
251.05441	2.7
251.07619	3.9
293.08759	1.7
311.07019	1.6
311.09814	2.8
312.25928	0.9
333.09760	0.9
338.07367	1.0
353.08792	7.9
373.13327	1.0
383.09653	6.6
413.10760	10.5
455.11755	4.5
473.12622	3.6
503.13892	6.5
525.15656	1.9
535.16583	100.0
536.16974	13.2
621.18066	1.3
665.16357	2.3
697.19440	29.1
698.20142	6.7
725.02051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	21.2
60.99297	8.2
61.98805	1.5
67.01875	8.1
67.75382	1.0
68.99799	4.4
69.03448	5.7
69.26432	6.1
69.26849	3.3
71.01376	16.8
73.02929	6.6
83.72111	0.9
85.02940	2.9
86.99457	0.9
88.98798	46.0
89.01906	2.0
89.02438	34.1
90.02765	1.5
93.03425	1.5
95.01324	1.1
95.05016	16.4
96.05337	1.1
99.00877	14.2
99.04503	1.5
101.02432	16.7
107.04993	2.3
108.02158	0.9
111.00875	7.6
111.04549	0.9
113.02422	4.1
117.03439	2.0
119.05010	4.6
121.02950	27.9
121.06524	1.8
123.04508	8.2
125.02419	2.9
127.03996	11.9
131.03462	4.4
132.02132	1.3
133.02940	30.9
134.03751	8.1
135.04512	84.0
136.04834	4.3
139.00354	8.9
139.03970	1.9
143.03511	1.0
147.04532	1.9
149.02510	1.5
149.04549	19.7
161.02426	77.2
162.02756	3.6
163.03983	3.2
165.05557	5.8
173.04581	1.8
175.03929	1.0
179.03471	43.3
180.03758	2.3
181.05087	1.2
191.05663	6.7
193.05081	4.8
215.03418	1.4
215.34042	1.1
221.06653	2.6
223.06009	2.8
250.04903	1.0
251.05450	3.3
251.07706	2.7
284.60217	1.1
293.08768	1.6
311.07126	1.7
311.09866	3.0
338.07962	1.2
342.39279	1.0
353.08688	7.1
355.43356	0.9
357.59805	0.9
383.09808	7.9
413.10892	11.0
455.11826	4.1
473.12842	3.4
503.13937	6.4
504.14053	1.1
525.15845	2.8
535.16614	100.0
536.16772	11.5
665.17133	2.9
697.19519	25.0
698.19757	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	697.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01940	0.2
59.01373	1.6
67.01871	0.3
69.03455	0.2
69.50341	0.2
71.01386	1.5
71.61425	0.3
71.68559	0.2
81.03451	0.3
85.02941	5.8
86.03275	0.2
87.00880	1.6
89.02433	0.8
93.03463	2.8
96.95988	0.9
99.04510	0.3
101.02430	1.2
105.03444	0.2
107.04993	0.2
109.02932	0.5
111.04500	0.8
113.02415	0.5
119.04995	0.6
127.04021	1.3
133.02946	3.5
134.03719	0.9
135.04517	12.2
136.04811	0.5
137.02432	0.4
147.01605	0.2
155.03499	0.2
161.02429	11.9
161.45480	0.2
162.02748	0.8
163.04036	0.7
163.06169	0.4
171.02974	0.6
173.04538	2.4
174.04926	0.2
177.01862	0.4
178.02600	0.2
179.03487	9.3
180.03802	0.3
181.07181	1.7
191.05594	100.0
192.05930	4.9
193.04791	0.4
193.06252	0.4
194.05446	0.4
254.87193	0.2
264.02325	0.2
293.11841	0.3
343.10284	15.3
344.10638	1.5
351.07306	0.5
353.08728	17.1
354.09137	1.9
355.09802	0.2
623.33661	0.2
697.19263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01371	7.6
66.10092	0.8
69.03454	1.4
70.94244	2.4
71.01379	11.0
72.99281	3.8
73.02924	1.2
74.39351	0.9
75.00846	1.1
83.01351	0.9
84.10079	0.7
85.02948	13.9
87.00839	0.8
89.02436	4.6
91.05510	3.4
95.01394	4.8
99.00889	1.2
101.02440	2.3
109.02918	0.9
113.01685	1.6
113.02441	26.4
114.55914	0.8
117.03420	2.9
119.05000	3.3
121.02920	2.1
123.04504	1.8
132.02121	2.4
133.02954	32.5
134.03474	1.8
135.04517	42.6
136.01654	1.6
136.04848	1.9
137.02422	1.4
145.02968	4.0
147.04541	9.5
149.06026	2.4
151.03969	2.8
161.02429	100.0
161.04597	2.6
162.02771	4.0
163.03951	3.3
165.05518	2.7
166.83629	1.0
173.02405	9.4
175.03955	3.6
177.01901	1.0
179.03479	26.8
180.03795	1.3
183.10150	2.8
191.03522	2.6
191.05577	16.9
192.05951	6.9
193.04692	1.3
193.06110	3.1
203.03394	1.1
223.06178	1.2
309.07526	2.6
311.23776	1.0
337.09256	2.3
338.09555	2.3
339.09781	1.9
357.15356	1.8
358.16037	0.9
373.12766	3.5
456.16528	0.9
461.16245	1.0
517.15051	1.4
535.16809	18.0
536.17194	1.6
623.19592	3.1
624.20276	1.0
635.19727	34.7
636.20062	4.8
651.19305	1.2
679.18750	1.4
697.19727	74.2
698.19965	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	697.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66226	0.2
53.44368	0.2
54.46684	0.2
59.01365	0.9
60.99300	17.8
63.29302	0.3
71.01368	0.8
85.02958	0.3
88.98795	100.0
89.02431	0.8
89.99123	0.9
101.02417	0.3
113.02419	0.9
117.03465	0.5
133.02945	3.0
135.04520	1.7
145.02957	1.2
149.04616	0.3
156.01443	0.3
161.02422	9.0
162.02802	0.3
179.03487	1.1
229.58188	0.3
413.10843	0.4
607.20276	7.7
608.20764	1.4
697.18713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40256	0.5
50.94789	0.5
55.38478	0.5
57.03433	0.7
59.01373	9.2
61.98823	25.1
69.03452	0.5
71.01373	3.8
71.62267	0.5
72.99306	0.7
73.02950	1.0
73.58383	0.5
75.00893	1.0
83.01392	0.7
85.02946	1.8
89.02431	2.7
89.03967	1.5
93.03448	7.0
94.02218	0.5
95.01415	0.8
96.96014	1.9
99.00852	0.9
101.02431	3.8
101.23436	0.5
108.02147	0.7
113.02463	1.5
117.03458	5.3
119.05026	1.7
121.02940	4.8
125.02427	1.0
132.02147	3.9
133.02933	1.5
134.03726	86.3
135.04431	3.8
136.04816	1.0
137.02419	1.7
139.11249	0.7
145.02937	0.6
147.04477	1.0
149.06064	7.5
151.51900	0.6
153.09193	0.8
160.01636	11.4
161.02516	2.8
161.04547	1.5
162.02766	1.3
163.03967	1.6
167.97058	0.5
173.04588	0.7
175.03981	10.4
176.04263	0.6
178.02650	0.7
179.03523	2.7
180.03879	0.7
183.10219	2.3
193.05032	100.0
194.05374	5.5
197.06152	0.5
197.08194	1.2
227.07077	7.1
235.06079	1.6
270.84729	0.5
306.01831	0.5
357.29770	0.5
407.61212	0.6
469.13455	18.4
470.13638	2.0
475.33762	0.8
589.14911	0.6
637.39478	7.1
638.39886	1.0
661.29340	2.1
696.31958	0.6
697.33472	4.6
698.33374	0.7
729.40393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.8
61.98833	1.4
68.99555	3.2
71.01367	4.3
73.02921	1.3
85.02917	2.7
93.03439	2.7
97.48945	1.1
99.41259	1.0
101.02436	1.5
111.00851	1.7
112.98523	1.3
113.02425	1.7
114.93388	3.0
117.03466	2.1
119.04912	1.4
121.02907	3.8
122.03749	1.4
123.04531	1.3
132.01189	1.7
132.02148	19.8
133.02895	3.6
134.02686	1.7
134.03723	34.5
135.04521	26.7
136.01649	1.7
136.04832	1.3
137.02403	4.0
145.02930	1.5
147.04492	2.0
149.02327	2.8
149.06042	5.6
150.03192	5.1
150.06351	1.3
151.04012	1.3
158.03661	1.2
159.04501	7.5
160.01636	84.7
160.05261	26.6
161.02136	6.9
161.06055	8.1
163.03941	4.4
164.04741	4.4
173.06015	3.3
175.03972	97.4
175.07582	18.7
176.04292	5.2
176.08009	1.5
177.01721	1.0
177.05524	6.4
178.02641	1.5
178.06346	6.8
179.03491	16.3
191.07051	1.4
192.07962	1.4
193.05017	28.5
193.08690	1.7
194.05246	1.6
217.04987	1.8
296.10730	1.0
307.08047	1.6
315.12286	5.1
329.13892	29.3
330.14154	3.4
335.07657	2.2
337.09225	100.0
338.09500	9.9
398.84851	1.0
517.18323	1.8
535.15887	13.2
536.16333	2.1
667.23859	32.6
668.24164	7.3
697.24847	38.7
698.25177	8.2
706.12128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
61.98836	3.5
69.64346	3.5
69.64759	1.1
71.01379	4.5
73.22562	0.7
83.01397	0.8
85.02964	1.8
88.98778	0.9
89.02441	1.1
89.50780	0.7
93.03445	2.3
94.27282	0.7
94.96290	0.7
96.96011	1.1
98.19865	1.1
99.00902	0.9
101.02431	2.6
111.00879	1.8
113.02454	0.6
117.03447	0.9
119.05026	1.3
121.02943	3.6
122.03725	1.4
123.04520	1.5
124.01691	0.7
128.03510	0.7
132.02155	19.9
132.03145	1.1
133.02992	4.0
134.03729	28.3
134.21951	0.7
135.04601	3.3
136.05258	0.9
137.02399	1.9
137.06140	1.0
145.02988	1.2
145.94873	0.8
147.04526	2.3
149.02414	1.4
149.06047	5.4
150.03212	4.0
151.03995	0.7
151.87088	0.6
153.05714	0.7
154.17044	0.6
158.03731	2.9
159.04500	7.6
160.01637	81.8
160.05261	23.0
161.02235	5.6
161.06036	6.9
162.03252	0.7
163.04016	4.9
164.04784	4.6
164.07092	1.0
173.04567	1.6
173.06049	2.4
175.03975	94.4
175.07591	19.4
176.04308	6.4
177.05525	4.3
178.02675	2.0
178.06339	7.1
179.03467	2.0
191.07011	1.2
192.07805	1.0
193.05023	25.3
193.08685	2.1
194.05359	1.8
195.06615	0.8
196.32246	0.8
235.06244	0.8
250.11693	0.6
273.20462	0.6
277.07031	1.0
315.12338	5.0
319.16608	2.9
329.13882	33.1
330.14243	3.3
337.09222	100.0
338.09564	8.0
345.13315	6.6
485.82904	0.7
489.17441	0.8
505.18060	1.0
517.18372	2.2
552.44342	0.7
697.24866	51.9
698.25232	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	697.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88219	2.8
55.18476	3.0
61.98820	16.4
64.33506	3.0
64.33838	3.5
69.37164	9.0
69.37578	16.8
73.78313	3.2
78.91888	21.8
92.06828	3.5
96.95984	3.6
113.02484	4.5
117.03468	4.9
119.04977	3.8
132.97490	2.9
136.01634	3.8
145.02971	8.4
146.34897	3.7
175.23967	3.3
277.21680	100.0
278.22049	6.5
308.18903	4.8
382.14227	3.6
383.13174	4.6
384.83414	3.6
617.38403	5.9
621.65723	4.3
624.61163	3.4
697.33203	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	698.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54857	0.3
59.01369	2.1
61.98822	100.0
70.62045	0.9
70.87140	0.3
78.05533	0.3
84.46613	0.4
87.30355	0.3
92.37212	0.4
95.90167	0.3
98.20532	0.4
100.14592	0.3
100.15266	0.3
111.46248	0.3
155.28801	0.3
255.23341	0.6
255.63342	0.3
259.61536	0.3
312.04626	0.3
533.54639	0.3
561.42822	0.3
698.31976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64014	0.6
59.01355	2.0
59.71054	0.7
60.99289	1.7
65.00317	0.9
71.01362	2.3
83.01373	0.9
85.02918	1.3
87.00844	1.1
88.98788	5.6
89.02438	1.9
93.03447	0.8
99.00846	0.7
101.02455	1.0
103.59689	0.8
107.01347	2.0
109.02908	1.0
113.02451	0.8
121.02948	2.0
133.02977	4.1
134.03690	0.8
135.00856	0.7
135.04527	8.4
139.03983	0.8
148.01709	1.0
151.00330	6.5
158.14101	0.6
161.02438	9.6
162.02814	0.9
163.00284	1.6
164.01073	0.7
165.05496	0.9
173.04462	0.7
178.99803	3.9
179.03505	4.1
201.05412	0.7
227.03423	1.4
235.06041	1.2
243.02946	5.9
244.03819	0.8
254.02167	2.0
255.00465	1.3
255.02950	18.4
255.05627	0.9
256.03296	1.7
271.02423	37.6
272.02969	2.9
273.03894	1.1
278.46027	0.6
300.02704	74.3
301.03415	32.5
302.03821	1.9
389.40887	0.8
472.42249	0.8
609.14465	100.0
610.14862	20.1
699.21820	3.3
699.29144	1.8
700.23779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74587	0.4
53.34869	0.4
55.01875	1.0
57.03422	0.7
59.01367	5.1
59.95135	0.4
61.98826	4.3
65.03961	1.5
67.01882	0.7
68.99829	0.5
69.03455	0.8
71.01381	6.4
72.90830	0.5
72.99306	1.1
73.02930	2.5
75.00854	0.7
83.01353	0.8
83.05044	0.5
85.02931	2.3
85.47557	0.5
87.00868	1.1
88.98822	0.8
89.02431	2.5
89.03957	1.1
91.01881	12.1
91.05531	0.7
93.03455	0.8
96.96021	1.4
97.02959	0.6
98.20595	0.8
99.00865	1.9
101.02426	3.4
105.03484	0.5
107.04999	2.3
109.02937	12.2
110.03291	0.5
111.00874	1.2
113.02444	1.8
115.00352	0.6
115.01806	0.5
117.03440	2.4
119.04995	0.8
121.02937	1.1
123.04496	0.8
125.02444	1.1
132.02150	3.3
133.02943	21.3
134.03738	17.3
135.00880	24.3
135.04509	100.0
136.01199	1.1
136.04831	4.5
137.02417	1.7
139.04022	0.9
145.03024	0.5
147.04572	0.5
149.02390	0.7
149.06062	1.8
151.03928	0.8
153.01920	37.2
153.09187	0.8
154.02258	1.2
159.03114	0.5
159.04462	0.7
160.01630	8.5
161.02423	48.4
162.02780	2.8
163.04005	1.8
165.05540	0.6
168.18973	0.5
175.02481	1.6
175.03973	7.7
176.02876	0.6
177.01938	0.8
177.05528	1.0
178.02696	1.9
179.03474	65.3
180.03844	2.6
190.02669	0.4
191.05586	1.4
193.05020	10.2
194.05353	0.8
202.22414	0.5
207.06685	0.7
221.04468	3.6
223.06088	0.7
229.52321	0.5
251.05396	0.9
285.03986	0.6
293.06558	0.7
311.07666	1.0
335.21524	0.5
345.29935	0.8
353.08685	8.7
354.09131	0.8
395.09662	1.9
455.11868	56.9
456.12213	7.3
507.35132	0.9
551.28516	1.1
565.61517	0.6
591.13458	44.1
592.13696	7.3
639.39551	14.4
663.26221	1.4
699.25299	4.3
700.26898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.2
61.98822	18.9
65.00320	0.7
68.99839	0.8
69.03456	0.9
69.41448	3.5
69.41857	1.2
71.01371	4.6
72.99294	1.1
73.02942	1.2
75.02800	0.6
78.63551	0.5
80.02712	0.5
81.03452	0.7
83.01364	0.9
83.47603	0.5
85.02940	1.6
89.02419	3.0
89.03946	0.7
91.01881	10.6
93.03447	1.2
95.01379	1.5
96.95996	0.8
97.02971	1.1
99.00852	1.2
101.02434	6.0
105.03446	1.4
107.05018	2.9
108.02155	15.2
109.02955	9.6
113.02450	1.7
115.04067	0.5
117.03457	1.9
119.05009	1.2
121.02972	1.7
123.00880	4.9
124.01628	1.0
125.02432	1.4
132.02150	2.0
133.02943	20.8
134.03740	9.1
135.00880	11.6
135.04509	98.6
136.04822	4.3
137.02464	3.3
137.06073	1.9
149.02467	1.2
149.06024	1.4
151.99925	1.2
152.01134	19.5
153.01926	9.6
153.05649	0.6
159.04492	1.3
160.01620	1.9
161.02423	59.9
161.04576	1.7
162.02792	2.6
163.04057	0.7
163.71373	0.7
165.05496	0.5
175.03990	2.1
177.01868	1.2
177.05522	1.5
178.02654	1.6
179.03474	62.3
180.03841	2.9
187.00317	1.5
193.05023	3.0
197.06032	1.2
199.28363	0.6
199.83748	0.5
205.01402	0.8
213.05484	1.0
221.04510	5.7
223.06129	1.0
243.06569	47.7
244.07022	3.9
251.05539	1.8
271.05972	1.6
279.03275	0.7
285.03882	0.6
293.06638	1.8
297.03879	0.9
311.07642	1.8
312.03500	0.6
347.78717	0.6
351.07111	0.7
353.08716	17.6
354.09094	0.9
371.14880	2.0
383.09650	1.1
395.09698	2.5
437.10791	1.0
447.11353	1.3
455.11884	100.0
456.12299	10.9
476.35031	0.6
519.14771	0.9
537.15930	2.3
551.42377	0.6
561.15753	0.9
573.12463	1.4
591.13513	11.0
592.13739	2.1
608.13361	1.1
638.39728	7.9
639.40027	3.3
699.19031	26.6
700.19604	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	699.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83688	0.3
59.01372	1.1
59.46827	0.3
60.94868	0.3
61.98821	11.1
66.41025	0.3
69.67555	1.3
69.67983	0.7
71.01387	1.9
85.02953	1.0
87.00838	0.4
89.02428	0.4
93.03441	0.4
98.19804	0.3
101.02445	0.7
105.03458	0.5
107.05027	0.7
108.02143	0.4
109.02942	1.1
113.02448	1.0
117.03446	1.0
119.05042	0.4
121.02934	1.9
122.03741	2.9
123.04485	1.0
132.02155	1.5
133.02936	31.3
134.03772	2.5
135.04507	26.9
135.18619	0.3
136.04857	1.0
137.02441	1.3
145.02896	0.6
146.03717	13.9
147.04550	1.7
148.05159	0.4
149.06075	1.9
150.03191	0.9
151.04033	0.4
154.31203	0.3
159.04533	0.7
160.01636	0.9
161.02420	91.8
161.05988	4.1
162.02750	3.5
163.03978	0.8
164.04756	8.5
165.05595	1.8
175.02507	0.5
175.03975	1.8
176.04747	1.0
177.01920	0.6
177.05547	4.1
178.02678	0.7
179.03474	16.4
179.07082	9.3
180.04254	6.9
181.04875	0.7
189.05698	0.3
191.07133	0.9
192.04269	0.5
193.05009	0.3
195.06615	5.6
203.03429	1.5
207.06627	0.8
209.50502	0.3
220.03674	0.7
221.04541	4.3
233.04333	0.5
251.05702	0.4
263.05609	0.8
280.05869	1.3
323.07666	23.5
324.08069	1.8
337.09097	0.5
360.11868	0.3
519.14978	100.0
520.15326	14.4
637.21454	0.6
651.21417	0.7
669.21655	2.8
670.21710	0.4
681.21680	0.3
699.22693	6.4
700.22601	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	699.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80388	0.4
59.01367	1.2
61.98821	47.5
65.69256	0.3
71.01363	2.5
82.00039	0.4
85.02938	0.8
85.44566	0.4
95.05033	0.6
101.02448	0.6
105.03462	0.8
107.05023	0.8
108.02177	0.7
109.02940	1.1
113.02415	1.5
117.03446	0.9
117.26385	0.4
121.02924	2.1
122.03724	2.4
123.04486	1.1
132.02191	2.0
133.02934	32.0
134.03773	2.6
135.04498	26.2
136.04816	0.8
137.02435	0.5
145.02945	0.7
146.03719	13.6
147.04402	1.8
149.06047	1.8
150.03217	0.9
160.01653	1.3
161.02417	92.6
161.05945	2.9
162.02745	4.7
163.03918	1.0
164.04771	7.5
165.05450	1.6
173.91611	0.4
175.03970	3.4
176.04723	1.1
177.05580	4.2
178.02664	0.7
179.03479	17.3
179.07089	9.4
180.04239	7.2
180.07594	0.7
181.05016	0.7
191.07085	1.0
192.04274	0.8
193.65889	0.5
195.06593	5.9
203.03453	1.5
207.06635	0.4
220.03737	0.5
221.04462	3.8
233.04451	0.5
244.41965	0.4
251.05566	0.6
263.05621	1.3
280.05673	0.7
308.18127	0.4
323.07648	21.6
324.08069	1.4
467.72797	0.5
519.14966	100.0
520.15259	15.9
637.21155	3.4
651.20490	0.8
669.21741	2.3
670.22168	0.8
699.22821	6.2
700.23029	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	699.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99422	0.6
55.25447	0.7
58.00588	0.7
59.01375	15.3
61.90436	0.8
61.98827	4.1
62.61758	0.8
69.03436	0.9
69.25620	7.4
71.01376	10.9
72.97501	0.7
72.99300	0.8
73.02933	2.9
78.41152	0.9
85.02957	2.7
88.98788	1.9
89.02443	10.6
92.14270	0.7
93.03440	1.8
96.95991	2.7
99.00883	5.3
101.02432	4.7
107.05021	2.0
109.02946	2.9
111.00847	1.3
113.02434	3.6
117.03448	1.6
119.03487	2.3
119.04996	3.1
121.02942	1.9
123.04538	1.2
125.02483	1.3
131.03532	1.2
132.02148	0.9
133.02005	1.4
133.02951	16.7
133.03909	0.6
134.03745	9.7
135.04514	100.0
136.01659	6.7
136.04832	4.0
137.02452	0.8
138.95636	0.7
143.03487	0.8
148.05049	0.7
149.02425	0.9
149.04391	0.9
149.06105	1.1
149.07365	0.8
150.03169	0.9
151.03983	7.2
153.01913	1.5
153.05643	1.3
155.10822	0.9
160.01688	1.7
161.02426	56.0
162.02792	2.4
163.03999	2.1
165.05531	2.1
173.04523	1.3
175.03967	1.7
177.01816	0.8
177.05473	1.6
178.02663	0.9
179.03474	71.3
180.03825	3.3
189.05583	0.7
190.06387	0.8
191.05600	2.4
191.07207	0.8
193.05028	2.3
195.06653	1.1
197.08000	0.7
207.06590	2.3
251.05566	12.5
287.14493	0.9
311.07718	11.6
327.12442	1.9
353.08737	29.0
354.09137	2.0
357.13330	5.3
383.09793	25.7
384.10049	2.0
413.10837	44.2
414.11038	4.2
437.10825	1.0
455.11911	1.1
473.12924	25.2
474.13342	2.3
489.19894	1.0
507.19861	1.1
517.18951	1.0
519.20154	6.6
520.20404	1.4
537.21686	5.5
655.20160	0.9
663.26520	33.3
664.27075	7.3
699.26532	9.0
699.37164	1.8
700.27753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.00753	0.4
59.01373	4.6
61.98824	17.3
69.42130	0.6
69.42542	2.1
71.01373	2.7
72.99290	0.5
73.02951	1.3
81.03448	0.4
83.01381	0.7
85.02925	2.0
89.02474	0.8
91.01903	0.4
93.03445	2.1
95.01405	0.8
96.96002	0.7
97.02934	0.5
98.19837	0.7
101.02435	2.3
106.04227	0.4
107.05020	1.1
108.02196	2.1
109.02939	1.1
111.00796	0.4
113.02440	1.6
120.05795	0.6
121.02942	6.5
122.03751	3.0
123.00864	0.6
123.04507	1.1
124.01655	1.0
125.06078	0.4
133.02969	2.2
133.06578	0.5
134.03764	2.3
135.00876	0.6
135.04520	3.3
135.08144	5.4
136.01646	83.7
137.02263	2.3
137.06076	0.8
139.04013	0.5
149.02426	0.6
149.05997	0.9
151.03989	100.0
152.04366	4.5
153.01930	0.5
153.09196	8.0
154.02690	0.6
154.09612	0.5
159.04489	0.8
160.05292	1.1
161.02443	5.0
161.04549	1.4
161.05830	0.4
162.03136	0.9
163.03984	1.7
165.05467	0.4
166.05081	4.0
168.00613	0.9
175.03928	0.9
175.07635	1.5
176.04703	0.4
177.05525	1.6
179.03485	2.9
179.07155	4.3
183.02939	2.3
189.05600	0.7
190.06313	0.4
193.05022	1.7
193.08633	0.5
197.08165	40.6
198.08546	2.2
201.58412	0.4
203.07268	0.4
221.08188	1.1
239.09157	0.7
252.57985	0.3
265.50464	0.4
285.04111	0.7
295.67398	0.3
299.11298	0.8
305.36923	0.4
327.07162	0.9
327.11942	0.5
341.12372	1.6
342.10980	3.8
343.11603	0.7
357.13376	97.6
358.06976	0.5
358.13739	11.9
367.47495	0.4
455.11856	1.1
514.31921	0.4
591.13568	0.9
639.39502	1.1
658.13763	0.4
699.30872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.00753	0.4
59.01373	4.6
61.98824	17.3
69.42130	0.6
69.42542	2.1
71.01373	2.7
72.99290	0.5
73.02951	1.3
81.03448	0.4
83.01381	0.7
85.02925	2.0
89.02474	0.8
91.01903	0.4
93.03445	2.1
95.01405	0.8
96.96002	0.7
97.02934	0.5
98.19837	0.7
101.02435	2.3
106.04227	0.4
107.05020	1.1
108.02196	2.1
109.02939	1.1
111.00796	0.4
113.02440	1.6
120.05795	0.6
121.02942	6.5
122.03751	3.0
123.00864	0.6
123.04507	1.1
124.01655	1.0
125.06078	0.4
133.02969	2.2
133.06578	0.5
134.03764	2.3
135.00876	0.6
135.04520	3.3
135.08144	5.4
136.01646	83.7
137.02263	2.3
137.06076	0.8
139.04013	0.5
149.02426	0.6
149.05997	0.9
151.03989	100.0
152.04366	4.5
153.01930	0.5
153.09196	8.0
154.02690	0.6
154.09612	0.5
159.04489	0.8
160.05292	1.1
161.02443	5.0
161.04549	1.4
161.05830	0.4
162.03136	0.9
163.03984	1.7
165.05467	0.4
166.05081	4.0
168.00613	0.9
175.03928	0.9
175.07635	1.5
176.04703	0.4
177.05525	1.6
179.03485	2.9
179.07155	4.3
183.02939	2.3
189.05600	0.7
190.06313	0.4
193.05022	1.7
193.08633	0.5
197.08165	40.6
198.08546	2.2
201.58412	0.4
203.07268	0.4
221.08188	1.1
239.09157	0.7
252.57985	0.3
265.50464	0.4
285.04111	0.7
295.67398	0.3
299.11298	0.8
305.36923	0.4
327.07162	0.9
327.11942	0.5
341.12372	1.6
342.10980	3.8
343.11603	0.7
357.13376	97.6
358.06976	0.5
358.13739	11.9
367.47495	0.4
455.11856	1.1
514.31921	0.4
591.13568	0.9
639.39502	1.1
658.13763	0.4
699.30872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
59.01088	2.4
59.01369	31.9
61.98823	8.0
64.62960	1.3
70.93360	3.9
71.01367	14.3
73.02940	3.4
74.37040	1.5
78.95891	2.1
79.52703	1.6
83.01370	2.5
83.05021	5.6
85.02941	5.4
87.00864	6.1
89.02441	6.8
91.05585	1.7
93.03445	1.7
95.05008	2.2
96.95994	14.8
98.19988	1.7
101.02416	13.3
109.06588	2.8
111.08141	5.6
113.02435	5.9
119.03445	1.8
119.04980	1.5
121.02925	2.7
123.08129	1.6
125.09695	7.7
133.02931	2.2
133.05072	2.0
135.04507	2.8
137.09750	1.9
145.05080	1.8
152.99538	1.8
157.24495	1.5
161.02296	2.2
161.04503	4.4
171.10249	62.7
172.10542	2.0
194.93074	1.6
205.15906	4.7
209.04495	1.9
209.11755	6.4
211.13326	7.7
221.15375	2.1
231.13846	4.3
233.15468	13.1
234.15697	2.5
235.08095	7.3
249.14912	28.4
250.15317	2.4
250.42494	1.6
253.09196	5.0
331.26080	2.3
341.24780	3.9
359.25900	1.6
367.22565	3.0
375.25137	2.6
385.23596	13.9
386.24225	1.7
403.24814	29.7
404.25156	3.3
407.19000	3.7
421.25919	6.6
485.23477	3.6
611.34320	2.7
621.32660	60.2
622.33130	13.5
639.33734	100.0
640.34003	21.3
699.35065	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	699.395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.0
61.77700	0.6
61.97072	0.5
61.98827	3.7
71.01369	1.2
71.61958	0.6
73.48294	0.6
74.71164	0.6
78.95852	0.6
89.02412	2.9
94.20927	0.5
113.02420	1.1
117.03444	3.2
119.05019	3.0
121.02917	1.0
136.01649	1.4
145.02936	9.2
149.04532	0.7
150.03203	0.8
151.03972	2.0
163.03983	2.4
165.05450	0.7
195.06549	1.3
209.20619	0.6
220.19012	0.8
248.57222	0.6
277.21674	100.0
278.22015	9.7
308.69174	1.3
350.47195	0.6
357.13336	1.4
358.13858	0.7
361.15115	0.8
379.16104	3.6
535.02167	0.7
538.46832	0.6
617.38629	3.5
618.38580	1.4
625.65619	0.8
639.36542	11.9
640.36963	2.9
678.07190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00233	0.5
53.70003	0.4
59.01377	4.0
61.98822	100.0
69.51962	3.4
71.01356	3.9
85.02955	2.6
88.98811	0.8
89.02427	2.4
95.01355	1.2
96.96004	0.9
101.02446	1.3
109.02976	0.8
113.02438	5.3
117.03460	1.2
119.03483	0.8
121.03013	0.7
123.04527	1.6
132.02155	2.4
133.02942	12.6
134.01942	0.5
134.03801	3.5
135.04520	17.7
136.01683	0.9
136.04866	3.3
137.02451	0.5
145.03079	0.6
146.03719	0.8
150.03258	0.6
153.05585	1.6
153.09222	0.7
160.01643	8.6
161.02431	42.1
162.02791	3.5
165.05502	0.6
175.02510	0.7
175.03992	10.7
176.04504	0.7
177.05495	0.9
179.03506	4.9
180.03775	1.1
193.04987	2.6
197.08217	0.5
221.04471	0.5
223.06158	0.7
255.11938	0.6
306.46240	0.5
315.10751	0.6
323.07602	1.0
328.27274	0.5
461.16534	4.3
475.17853	0.8
478.19202	0.6
516.30438	0.5
519.15179	0.8
520.15454	1.6
537.17804	0.7
538.17834	1.4
545.66748	0.6
637.21265	43.2
638.21631	9.4
700.23004	3.7
701.24292	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	700.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31414	0.1
59.01370	0.6
61.62830	0.1
61.64106	0.1
61.98822	100.0
62.98546	0.1
66.13648	0.1
68.99799	0.4
70.35212	0.3
71.01378	0.7
74.68359	0.2
81.93622	0.1
85.02930	0.8
87.00867	0.2
89.02438	0.4
95.01414	0.3
96.95960	0.2
98.20471	0.2
101.02428	0.7
106.04345	0.1
108.02190	0.4
111.00871	0.2
113.02421	1.7
123.04479	0.3
127.03998	0.2
130.08740	1.0
132.02159	0.4
133.02956	1.3
134.03679	0.4
135.00894	0.2
135.04509	1.6
136.04825	0.4
137.06062	0.2
145.02975	0.1
146.03758	0.6
147.46960	0.1
149.02443	0.1
150.03197	0.2
151.04080	0.1
152.01157	0.6
153.05606	0.3
160.01648	1.7
160.02838	0.2
161.02428	3.6
161.04591	0.4
162.02762	1.0
163.03996	0.2
163.42247	0.1
164.04797	0.2
165.60677	0.1
167.03467	1.2
169.63675	0.1
175.03964	2.0
176.04764	0.1
179.03476	1.0
179.07146	0.3
180.03835	0.3
181.04904	0.2
181.08704	0.3
193.05009	0.3
195.06711	0.2
231.12282	0.1
236.96935	0.2
239.05681	0.2
245.54836	0.1
291.08734	0.4
323.07523	0.6
324.08054	0.4
356.20786	0.8
359.11002	0.1
377.12354	1.1
410.65228	0.2
461.16696	0.6
519.14856	1.1
520.15277	3.1
521.16064	0.4
609.04004	0.1
637.21204	5.2
638.21515	1.0
670.22089	0.2
700.22919	0.3
701.23730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98822	100.0
62.98527	0.2
65.89874	0.1
69.24812	1.4
71.01398	0.3
75.00866	1.0
77.72740	0.2
83.02828	0.1
89.02450	0.2
96.96003	1.7
98.20624	0.3
99.00816	0.2
116.92831	1.0
117.92879	0.3
134.03760	1.1
135.08176	0.2
143.99017	0.1
151.03928	0.2
171.76355	0.1
175.04012	0.2
193.05005	1.3
207.04939	0.2
233.21231	0.2
238.50816	0.1
294.91373	0.2
306.33484	0.2
469.13516	0.5
623.39435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10145	0.1
59.01374	0.7
61.10060	0.1
61.98823	100.0
62.98533	0.2
71.01392	0.3
71.62798	0.2
85.02924	0.1
86.09747	0.1
86.54440	0.1
88.98807	0.2
89.02427	0.3
91.01911	0.2
96.96008	0.6
99.00871	0.1
101.02443	0.2
109.02945	0.4
117.03470	0.2
119.05077	0.2
121.03011	0.1
123.04477	0.1
133.02965	0.4
134.03735	0.5
135.00883	0.4
135.04518	1.8
136.01630	0.2
136.04790	0.6
137.09723	0.2
145.02948	0.5
151.03984	0.2
153.01913	0.7
155.10751	0.2
161.02399	1.0
162.02716	0.2
163.04016	0.4
175.03967	0.2
179.03496	1.2
180.03888	0.3
193.05075	0.5
199.09869	0.1
236.37106	0.1
269.04428	0.1
273.80533	0.1
281.30560	0.1
285.04053	0.3
309.08792	0.2
356.34131	0.1
455.12051	0.4
456.12585	0.5
553.30646	0.2
592.13776	0.6
663.26318	0.2
665.26501	0.1
665.38147	0.2
700.35046	0.2
701.35358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72906	1.1
53.90506	1.0
56.24188	1.1
58.00571	1.4
59.01373	100.0
70.31831	4.0
71.01376	59.4
72.01693	1.4
72.99297	3.1
73.02934	34.2
78.95882	1.5
83.01373	11.0
85.02950	16.6
87.00867	2.1
89.02435	27.0
93.03405	1.1
95.01377	5.4
95.58134	1.3
96.10873	1.1
99.00865	2.7
101.02431	41.8
108.02150	2.1
113.02434	35.5
113.03230	1.7
119.03561	10.7
119.05010	45.5
120.05321	2.0
131.03464	4.1
135.04488	3.8
137.06071	2.9
143.03468	5.2
149.02403	1.1
149.04549	6.0
161.04524	12.6
179.05562	3.2
191.05583	4.7
197.62424	1.3
203.05550	2.1
203.75157	1.3
213.19142	1.1
221.06589	2.2
223.06160	2.2
273.19135	1.1
281.10254	93.4
282.10632	6.1
299.11276	11.9
315.10809	4.2
339.85593	1.4
341.12347	75.6
342.12646	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	701.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
59.01091	2.6
59.01371	38.2
61.98827	3.9
71.01374	36.2
72.99290	7.1
73.02939	13.0
75.00874	1.6
83.01366	3.1
85.02943	12.4
87.00880	2.2
89.02428	45.3
89.03980	1.7
93.03424	3.1
95.08596	1.8
96.95976	4.4
99.00880	23.4
101.02436	21.8
109.02939	2.4
109.06591	2.4
113.02411	9.3
116.92849	6.0
117.03444	4.8
119.03468	5.1
119.04939	1.6
121.02934	2.6
121.06566	5.5
123.04522	11.8
125.02428	3.6
125.09660	1.7
127.04051	1.5
131.03490	7.3
132.02167	3.6
133.02946	30.1
134.03734	55.1
135.04514	79.3
136.01666	2.3
136.04840	3.8
137.02440	2.5
139.04039	2.0
139.07605	4.4
143.05037	1.8
147.04514	2.0
149.02403	3.1
149.04552	9.9
149.06053	6.5
151.03964	1.9
151.07622	19.4
153.05577	9.3
160.01648	8.5
161.02422	69.3
161.04524	3.6
162.02739	5.5
165.02002	1.9
165.05508	3.4
169.08694	1.8
173.04463	2.3
175.03963	7.2
177.05458	2.4
178.02823	1.9
179.03479	30.0
179.05257	1.6
179.05724	1.6
180.04178	1.5
183.06563	6.1
185.11775	4.8
190.95432	1.9
191.05583	8.4
193.05035	44.3
195.06595	3.4
213.07649	9.2
233.06619	1.6
235.06009	1.8
251.07588	1.8
253.08670	3.2
265.07138	4.1
315.10828	9.8
325.09061	5.0
343.11520	1.9
353.08661	2.3
359.16916	1.9
367.10071	3.8
397.10986	2.6
426.35257	1.7
427.12433	2.9
437.14734	2.7
463.18018	5.2
495.16653	3.3
507.17154	10.2
509.18701	5.9
521.18567	31.9
522.18921	4.9
525.18237	19.2
526.18414	2.6
539.19794	34.0
540.19678	4.5
611.17889	2.3
639.21643	5.1
651.18866	2.0
669.20410	4.6
671.21887	6.0
683.21783	35.2
684.22070	7.2
701.22882	100.0
702.23395	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	701.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.4
57.03436	6.0
59.01097	1.9
59.01373	33.2
59.01667	1.6
61.98822	39.1
67.01877	7.1
68.99811	13.1
69.03451	9.6
69.27018	11.6
69.27358	2.1
71.01376	45.6
71.59093	0.9
72.99291	2.4
73.02943	2.5
73.44103	1.1
75.00853	1.6
83.01347	3.3
85.02940	49.7
87.00874	2.7
89.02436	22.8
93.03432	1.7
95.01376	23.6
95.05013	60.7
96.05344	2.8
97.02900	1.6
99.00865	1.6
99.04488	1.4
101.02431	25.9
111.00867	38.6
111.04482	2.5
113.02435	100.0
114.02750	3.0
119.03474	5.3
119.04961	1.3
121.02948	20.1
121.06589	1.7
123.04526	5.5
125.02374	1.4
127.03999	12.9
133.02917	3.0
135.04504	8.6
137.05994	3.1
139.00362	24.0
139.03018	1.9
139.03998	27.6
143.03442	4.3
147.04501	11.1
149.02425	40.6
153.05507	5.1
153.09160	2.8
161.02489	7.2
161.04529	19.8
162.02826	2.1
165.05544	10.3
171.02904	1.6
179.03586	5.2
179.05566	8.5
179.07069	2.6
185.99835	1.2
191.03528	5.8
193.04930	1.6
195.06532	2.8
197.08153	7.5
205.46434	1.0
209.04472	2.1
221.04416	1.6
223.06007	5.6
275.05630	10.0
275.09171	55.0
276.09473	4.1
307.08185	50.5
308.08554	3.9
321.05899	1.7
327.08713	4.8
345.09729	12.4
377.12350	52.5
378.12772	4.0
510.29416	1.2
519.15027	3.1
539.16840	1.9
545.77734	1.3
555.99908	1.5
565.17816	11.8
638.21674	9.3
639.21362	1.6
687.39197	1.3
701.22845	88.9
702.23077	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	701.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01375	6.3
60.96001	0.7
65.77332	0.8
67.01881	1.3
68.32710	0.7
71.01374	4.5
73.02930	1.8
78.33587	0.8
81.03457	0.9
82.25716	0.7
83.04542	1.0
83.05019	2.2
85.02956	2.0
87.00867	1.7
87.18853	0.7
89.02441	1.8
93.03448	17.4
93.43118	0.7
99.00874	1.1
101.02436	4.9
107.04977	1.7
109.02936	1.2
111.04513	4.8
113.02431	2.1
119.03497	0.8
119.04992	2.2
133.02940	8.5
134.03764	6.1
135.04512	100.0
136.04826	4.2
137.02431	6.6
151.04021	0.8
155.03448	1.5
161.02429	23.8
162.02704	1.1
163.03998	2.7
171.97552	0.8
173.04550	8.6
173.08203	3.2
179.03482	87.8
180.03819	4.5
185.11856	0.8
190.32983	0.7
191.05585	22.5
192.05865	1.2
193.04971	1.1
203.12820	1.3
229.08847	1.0
335.07675	90.0
336.07974	7.9
337.09262	1.2
347.13431	1.0
347.17090	5.2
363.16461	1.2
365.18112	39.0
366.18396	4.2
367.10275	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	702.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58101	0.7
57.03424	0.8
59.01373	7.5
61.98826	11.4
70.73288	2.0
78.51762	0.9
78.95908	2.5
79.95746	1.6
85.02947	4.5
89.02421	1.6
93.03463	1.3
93.22100	0.8
93.40282	0.8
95.01396	1.5
101.02452	1.9
109.02954	2.9
113.02433	12.0
121.02949	1.9
123.04518	8.9
132.02199	1.6
133.02936	30.2
134.03224	1.2
135.04510	26.3
136.04799	1.5
137.02428	1.5
149.02318	1.1
150.03227	5.1
151.03984	19.7
152.04401	1.2
161.02422	100.0
161.04587	2.4
162.02798	5.0
164.44785	0.9
174.71539	0.9
177.05449	1.2
179.03473	28.6
180.03835	1.3
185.48892	0.9
191.05589	12.2
192.05936	2.5
199.09743	0.7
203.03435	1.0
215.00156	2.9
233.01233	0.9
239.09233	1.4
261.00735	1.8
275.02133	1.4
305.90698	0.9
321.15247	1.1
337.09216	3.5
338.09552	1.3
393.40668	0.9
429.40775	1.0
459.15027	1.6
468.87128	1.0
477.15924	1.3
487.14462	2.7
527.26379	1.0
529.15417	3.6
541.12317	1.9
621.18103	18.8
622.17993	4.0
639.19196	71.3
640.19574	14.5
642.26910	1.8
703.15295	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	703.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60224	0.7
59.01377	6.8
61.98811	2.6
65.69308	0.6
69.35042	6.1
71.01365	2.8
73.02928	1.5
78.95896	13.6
79.95725	15.7
80.96500	5.5
83.01368	0.8
85.02969	3.2
89.02437	2.1
93.03443	1.1
95.01331	1.3
96.95976	2.3
98.20596	0.9
101.02410	1.9
108.02158	0.7
109.94764	0.7
113.02454	3.1
121.02937	1.8
123.04521	5.4
133.02925	4.3
134.03717	1.5
135.04507	20.9
135.68312	0.7
137.02348	0.8
137.06087	0.6
151.03935	2.6
153.05537	2.1
161.02431	11.0
162.02769	1.5
165.01894	0.8
179.03503	4.6
179.05057	0.8
180.03801	0.7
187.00623	1.9
191.05598	11.4
192.05887	1.8
195.10162	0.9
201.99368	2.6
213.25339	0.7
215.00166	35.0
216.00728	2.5
230.99742	1.2
233.01204	12.5
233.98305	1.1
239.09177	2.4
247.99878	3.2
261.00699	21.4
262.01093	0.7
274.99542	1.1
275.02286	13.0
276.02539	1.4
291.01773	0.7
337.09158	2.8
338.09900	1.1
339.62070	0.8
359.04443	1.1
365.18207	3.6
377.05322	3.8
395.06403	9.1
396.06732	0.9
523.11035	2.5
541.12244	29.1
542.12158	3.2
557.09454	1.3
640.19794	1.1
642.26703	1.4
643.26886	1.9
667.18866	1.0
703.15381	100.0
704.15576	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83607	0.7
59.01351	1.5
60.99291	2.6
61.98809	1.4
62.90508	0.7
65.03942	1.2
67.01880	4.5
69.03445	1.4
69.66048	4.2
71.01368	2.2
71.11269	0.7
73.02929	1.4
78.95911	1.8
81.03455	1.2
83.05009	1.4
85.02948	6.4
87.00870	6.4
93.03448	37.9
96.49623	0.8
98.20292	2.3
99.00907	1.2
99.04543	1.0
101.02406	1.3
109.02954	1.2
111.04507	6.4
111.08149	1.9
113.02431	1.1
117.03464	2.2
121.40173	0.7
127.04004	0.7
129.01930	1.1
133.02937	3.8
134.03732	12.7
135.04517	59.3
136.04843	2.0
137.02422	7.0
143.03490	1.0
149.06070	1.0
155.03471	2.5
160.77744	0.8
161.02422	17.0
173.04527	20.7
173.08145	5.1
179.03476	51.9
180.03813	2.1
191.05588	100.0
192.05933	4.8
193.04999	7.1
275.11646	0.7
335.07693	58.9
336.07965	6.2
341.04916	0.8
367.10284	38.1
368.10635	4.5
403.25238	0.7
541.12756	0.9
623.19543	1.1
641.20886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	2.7
61.98803	1.1
69.03449	2.3
71.01366	2.0
71.62393	0.7
75.27448	0.7
77.58596	0.7
78.91890	1.1
83.01366	0.9
85.02958	1.1
93.03405	0.9
95.01376	7.5
96.96018	1.5
97.02932	2.9
107.01380	1.5
108.02132	0.8
109.02909	1.2
113.02421	1.4
119.04991	1.1
121.02932	1.6
121.72286	0.8
122.03731	1.4
123.00083	1.2
123.00885	15.2
123.04497	1.2
124.01650	22.3
125.02441	29.6
133.02916	2.1
134.03757	4.5
135.04497	2.2
137.02402	2.5
145.03020	0.8
147.04509	1.1
149.02383	2.0
149.99571	35.2
150.03194	10.4
151.00389	3.9
158.52548	0.9
160.01653	5.2
161.02484	4.3
164.04805	0.9
165.05566	6.7
166.99844	11.2
168.00623	60.2
169.01392	8.4
173.04520	1.6
175.03957	9.6
179.03455	2.5
181.01402	1.1
191.05559	0.9
193.05025	3.0
244.02545	1.2
285.03928	0.9
313.05557	1.3
331.06516	1.3
337.09335	1.1
506.10303	1.8
623.19733	1.8
703.18622	100.0
704.19025	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	703.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14351	0.4
57.03434	0.9
58.00587	0.3
59.01121	0.5
59.01369	4.3
60.99298	1.3
67.01878	4.2
69.03449	1.2
71.01371	4.1
71.39602	0.4
73.02938	1.4
78.95923	0.5
81.03442	0.9
83.01380	0.6
83.04989	0.4
84.81120	0.4
85.02941	5.7
87.00858	5.9
89.02424	0.5
91.55021	0.3
93.03445	26.0
94.03794	0.7
98.20240	2.8
99.00867	1.0
99.04539	0.5
101.02430	3.1
109.02908	0.6
111.04497	4.1
113.02433	1.4
119.05009	8.1
124.15751	0.4
127.04018	1.4
129.01947	0.8
135.04504	0.4
137.02385	1.1
145.02933	1.7
155.03485	1.5
161.04530	0.7
163.03986	8.2
164.04362	0.7
171.66393	0.3
173.04526	26.6
174.04919	0.5
184.63591	0.4
185.11807	1.0
191.05591	100.0
192.05927	4.0
203.12828	1.2
337.09238	34.9
338.09537	3.5
347.16989	5.7
348.17233	0.6
365.18091	43.9
366.18448	3.6
435.74460	0.5
457.78897	0.4
508.78253	0.4
649.88733	0.4
703.14899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03448	0.3
58.00587	0.2
59.01374	100.0
60.01700	1.2
69.24142	2.6
71.01376	9.1
73.02939	3.6
78.95901	1.4
83.01376	1.4
85.02943	4.8
87.00880	0.3
89.02437	0.8
95.01412	0.8
99.00896	1.4
101.02426	7.8
101.03068	0.5
111.00848	0.3
113.02431	4.1
132.54265	0.2
133.02937	0.4
135.04515	0.9
143.03505	0.4
159.01756	0.3
159.03024	0.9
161.02432	0.9
161.04538	5.2
174.45239	0.3
179.03519	0.7
215.00197	0.6
227.51985	0.3
267.17374	0.3
269.10269	11.1
270.10699	0.8
287.14938	0.3
311.11307	6.5
312.11816	0.8
313.19290	0.3
347.17126	2.5
443.17331	0.3
655.14990	0.3
703.15375	1.7
704.15588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
61.98820	4.0
69.69211	2.0
71.01373	1.0
79.95725	3.7
89.02469	0.4
89.04868	0.4
96.21099	0.4
96.95998	100.0
97.95925	0.5
98.19923	0.7
101.02441	0.5
135.04514	1.7
145.02946	0.5
149.02486	0.6
161.02364	0.5
164.04768	0.6
168.24767	0.4
179.03474	0.9
193.05063	0.4
244.73918	0.4
665.27625	0.4
667.39301	0.7
703.32043	44.1
704.32355	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	703.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97918	0.3
59.01360	1.5
61.98834	1.8
69.22990	2.0
69.23411	1.0
71.01382	0.6
75.27129	0.3
78.95893	0.4
79.95733	4.1
85.02921	0.4
89.02442	0.3
96.96001	100.0
97.95944	0.4
101.02449	0.7
113.02411	0.4
119.05020	0.7
133.02969	1.0
135.04523	0.8
135.56859	0.3
137.06068	0.9
161.02489	1.4
163.04018	0.4
179.03452	0.6
296.65930	0.3
336.08704	0.9
337.08893	0.6
339.60803	0.3
345.09726	0.5
391.09949	0.3
703.32068	40.3
704.32391	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	703.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72121	19.6
61.98834	100.0
63.23620	21.3
72.85104	25.4
74.20499	19.0
82.12229	17.6
96.95988	71.1
112.16894	22.7
113.55494	19.0
145.02924	70.5
171.10176	26.3
214.79381	23.1
251.73758	20.4
263.72754	21.2
280.58423	20.2
301.72327	21.5
415.80954	21.0
499.51447	22.0
703.48553	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57100	0.6
59.01371	100.0
60.01713	0.8
61.98829	1.8
69.38187	5.3
81.28832	0.7
91.04012	4.0
98.20621	1.4
106.67775	0.7
118.33192	0.8
195.13991	0.8
223.13483	0.7
275.20044	0.8
293.21191	31.1
294.21625	3.0
345.94794	0.8
367.84958	0.7
441.12912	0.8
569.42688	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	704.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78743	0.8
59.01366	9.6
61.98822	35.6
69.27752	1.1
69.28103	9.8
70.03204	0.9
71.01379	11.7
72.99294	10.4
73.02927	1.0
78.95873	1.1
79.58010	0.9
82.95426	0.9
83.01413	1.1
85.02934	14.1
87.00891	1.2
89.02430	4.1
93.03454	3.6
95.01374	2.8
95.05033	2.7
96.95999	4.1
99.00848	1.1
101.02429	2.9
103.04034	0.9
106.68500	0.9
109.02935	4.4
111.04482	1.3
111.79607	0.9
113.02440	25.3
119.03557	1.2
119.43707	1.2
123.04512	9.5
127.03986	1.9
131.07140	1.3
133.02942	23.8
134.03734	2.9
135.04509	40.4
136.04791	1.3
137.02425	31.9
138.02885	1.5
143.03490	0.9
143.04886	1.2
149.02449	1.2
150.03171	2.2
151.03987	4.7
153.05595	2.1
161.02425	100.0
161.04538	2.6
162.02751	5.7
163.03926	1.3
165.05547	1.5
173.04529	7.1
179.03487	17.2
179.05203	1.2
180.03810	2.0
187.94250	1.0
191.05588	37.4
193.04912	1.5
197.04546	9.9
209.88229	1.0
251.05547	2.0
315.10721	3.9
337.09167	9.9
357.09723	6.2
367.10071	1.2
461.16586	13.7
462.16968	1.6
481.77628	1.3
497.86945	1.0
531.16150	1.5
554.26971	1.0
611.19525	1.6
623.19720	82.3
624.20111	15.7
641.20776	63.6
642.21173	10.4
651.19183	2.1
669.20435	1.9
704.24817	1.2
705.20538	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	705.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05359	0.1
55.84804	0.1
58.14568	0.1
59.01382	0.1
64.70221	0.1
69.62036	0.5
69.62447	0.2
78.95891	1.0
79.95731	3.3
96.96000	100.0
97.95945	0.3
98.95551	0.1
100.92886	0.1
113.02415	0.2
117.03478	0.1
119.04993	0.2
128.03502	0.2
133.02943	0.3
134.03670	0.1
135.04504	0.3
145.02945	0.7
157.07747	0.1
161.02443	0.8
175.03984	0.1
179.03403	0.2
196.05183	0.1
230.85480	0.1
461.16583	0.1
496.17313	0.2
593.16986	0.1
607.20300	0.9
608.20959	0.2
623.19592	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	705.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.21134	0.1
61.98817	0.5
65.18198	0.1
69.35218	0.9
69.87874	0.1
71.01369	0.8
73.02924	0.2
78.95908	1.0
79.95730	3.4
79.96185	0.2
83.01364	0.2
85.02936	0.4
87.00894	0.1
89.02436	0.3
93.03458	0.3
96.96000	100.0
97.95947	0.4
100.80774	0.1
101.02438	0.3
113.02432	0.4
119.05013	0.2
127.35070	0.1
133.02951	0.2
134.03708	0.4
135.04474	0.7
136.04868	0.1
137.09679	0.2
145.02928	0.5
149.02403	0.1
150.05405	0.1
155.10756	0.6
161.02409	0.4
163.03900	0.2
173.04570	0.1
179.01942	0.1
179.03511	0.4
191.05554	0.6
193.05054	0.3
199.09737	0.3
234.09473	0.1
246.79691	0.1
280.24326	0.1
329.16080	0.2
347.17001	0.3
409.66147	0.1
509.18692	0.3
607.20709	0.4
642.25195	0.1
661.30743	0.6
705.29907	1.2
706.27777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06821	0.1
52.15523	0.1
59.01363	0.5
61.98825	0.2
71.01387	0.3
71.62324	0.1
71.62669	0.1
78.95901	0.1
79.95729	3.4
85.02955	0.1
87.00845	0.2
89.02438	0.3
93.03451	0.5
95.89277	0.1
96.96001	100.0
97.95967	0.2
98.33846	0.1
101.02451	0.2
113.02430	0.3
116.70283	0.1
117.03493	0.3
121.02937	0.2
133.02939	0.2
134.03745	0.2
135.04472	0.6
145.02962	0.8
149.05959	0.1
150.03227	0.2
153.05539	0.2
161.02438	0.4
173.04562	1.2
175.03929	0.2
179.03493	0.3
191.05722	0.2
193.05049	0.3
198.80168	0.1
222.36513	0.1
531.15204	0.2
531.24036	0.1
532.15845	0.1
607.20087	0.6
705.30359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36320	0.3
59.01370	1.9
60.99292	0.6
61.98822	1.1
63.67519	0.3
67.01879	1.2
69.03451	0.6
71.01368	2.0
71.38730	0.4
73.02921	0.5
81.03456	0.9
83.05011	0.5
85.02940	12.6
85.82964	0.3
86.03269	0.5
87.00864	3.9
89.02470	0.3
93.03450	10.6
95.01347	0.4
96.02040	0.3
96.96003	1.2
99.00858	0.3
99.04510	0.9
101.02428	0.5
109.02943	1.4
111.04509	2.9
113.02421	0.5
115.00369	0.5
117.03471	0.3
119.04993	2.0
121.02918	0.4
123.04509	0.4
124.28236	0.3
125.02431	0.4
127.03995	3.1
129.01981	0.3
133.02905	0.3
134.03717	2.0
135.04488	0.7
137.02490	1.4
143.05040	0.4
145.02977	0.3
149.06015	0.3
151.04013	0.4
155.03441	0.8
155.60188	0.3
159.04527	0.4
161.02382	1.3
162.02701	0.4
163.04005	1.5
165.05521	0.4
166.01212	0.3
171.03009	0.6
173.04521	8.0
179.03418	0.6
179.05649	0.3
187.22485	0.3
191.05582	100.0
192.05942	4.3
193.05052	1.3
219.06685	0.5
226.06303	1.5
229.07150	0.4
241.08682	1.3
242.44386	0.3
251.07057	0.5
253.08450	0.4
280.07220	0.3
295.09772	0.6
313.10831	0.5
337.09079	0.5
339.08630	0.6
357.09647	3.1
367.10226	0.6
513.13849	1.1
531.15186	0.7
624.20074	0.7
642.20642	0.5
669.20306	0.4
705.20258	32.2
706.20599	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	705.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06775	0.7
50.69059	0.7
52.28978	0.8
57.01654	0.8
57.03424	1.1
57.36290	0.8
59.01369	5.5
60.99297	3.9
61.98812	3.1
62.13456	0.9
65.03955	0.9
67.01884	10.5
69.03427	2.9
69.24416	1.7
69.24818	7.4
71.01365	4.8
71.18125	0.9
81.03432	1.3
83.01373	0.9
83.05017	1.4
85.02947	7.9
87.00865	14.1
89.02400	1.3
93.03445	65.0
94.03746	1.7
96.95998	32.6
99.00854	1.7
101.02393	1.3
109.02938	1.4
110.32670	0.8
111.04512	8.2
113.02437	1.5
113.03517	2.8
119.05058	1.2
120.99549	1.2
121.02912	1.6
127.03996	2.3
127.62917	0.8
128.03519	1.2
128.85469	0.8
129.01888	1.7
132.02104	1.6
133.02960	4.6
134.03732	19.7
134.42444	0.8
135.04514	6.5
137.02405	3.1
149.02449	1.4
149.06075	5.1
151.53807	1.0
153.09129	1.4
155.03458	1.4
160.01653	7.5
161.02408	8.1
163.03932	1.6
173.04543	18.1
174.04871	1.1
175.03964	9.8
178.02711	7.4
179.03467	5.2
191.05579	100.0
192.04283	1.3
192.05855	3.7
193.05023	18.2
194.05406	1.0
199.09686	0.9
216.79321	0.8
223.06087	1.2
235.06087	1.4
268.90109	0.8
291.22180	0.9
323.07751	1.3
337.09256	1.7
367.10214	13.7
409.11160	2.1
422.33578	0.9
478.01508	1.0
529.07861	1.6
529.15558	23.7
530.15808	2.8
531.14545	1.9
543.20868	0.9
548.71783	0.8
549.86523	0.8
657.28198	0.9
657.67023	0.9
705.20068	71.4
706.20380	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	705.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14821	0.3
52.19915	0.3
57.03434	0.6
59.01377	1.5
60.99301	0.4
67.01887	1.2
69.03450	0.4
69.34534	0.8
69.34947	1.5
71.01365	1.3
71.68527	0.2
73.02924	0.4
81.03436	0.8
83.05023	0.5
85.02941	12.2
87.00872	4.2
92.52247	0.3
93.03449	10.7
93.32937	0.2
94.03767	0.4
99.04517	0.7
109.02954	1.0
111.04510	2.4
113.02489	0.3
114.36634	0.2
115.00275	0.4
116.94881	0.2
119.05006	0.9
123.04504	0.3
127.04005	3.0
134.03712	1.1
137.02440	0.5
155.03453	0.7
159.04518	0.4
161.02313	0.3
163.03957	1.0
171.02986	1.1
173.04526	4.3
187.24350	0.3
191.05583	100.0
192.05925	4.1
193.05026	0.9
226.06339	1.3
241.08643	2.0
242.81198	0.3
251.07098	0.6
252.07942	0.4
280.07529	0.6
295.09671	0.7
337.09039	0.3
339.08426	0.3
357.09732	2.3
367.10104	0.4
378.67258	0.3
397.82370	0.3
513.13818	1.1
687.19196	0.4
705.20233	39.0
706.20599	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	705.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89016	1.2
53.30599	1.3
59.01377	15.8
60.99287	4.0
61.98821	14.4
67.01598	1.4
67.01894	16.7
69.03447	39.5
69.03831	2.1
69.47417	11.2
71.01371	14.5
72.99301	7.2
73.02924	5.0
75.00846	2.1
81.03457	3.6
83.05014	5.2
85.02928	8.7
87.00864	23.6
89.02438	8.7
90.23578	1.6
93.03448	100.0
94.03773	4.4
95.01318	1.5
95.04995	1.8
96.95984	5.7
99.00848	3.5
99.04502	6.2
101.02454	8.1
107.05021	22.6
108.05330	1.5
109.02924	3.4
109.06560	1.6
110.58421	1.5
111.04519	11.4
113.02448	18.8
117.03463	1.7
119.03448	2.6
119.04973	1.6
121.02940	2.5
122.72676	1.3
125.06051	6.9
125.28012	1.3
129.01846	1.3
130.52577	1.3
132.02188	1.6
133.02943	11.0
134.03716	25.5
135.04514	43.5
137.02396	4.9
137.09706	14.0
142.27602	1.5
147.02994	1.7
149.02446	2.7
149.06047	7.0
150.03235	7.0
151.03989	2.4
151.07658	13.6
155.03493	3.4
155.10756	32.2
160.01634	9.4
161.02425	33.1
162.02869	1.4
163.03926	2.5
164.04861	1.9
165.05511	3.2
169.08655	6.3
169.12326	2.3
173.04536	33.5
174.04915	1.8
175.03990	15.2
177.05504	2.0
178.02678	11.8
179.03491	28.5
179.10698	3.9
181.08626	5.0
191.05606	22.6
191.07132	2.0
192.04201	1.8
193.05028	30.0
194.05431	1.5
195.06564	3.6
195.10249	1.4
199.09731	10.6
207.06598	1.2
213.07674	14.6
219.77670	1.5
222.79991	1.3
223.06136	1.5
223.09695	5.1
235.06059	2.3
241.10875	3.1
265.10760	1.6
285.26263	1.3
323.07617	5.1
326.93219	1.7
337.09149	4.5
375.13177	1.8
513.22858	3.0
531.14917	6.2
557.22253	60.7
558.22534	8.9
643.25995	38.5
651.19055	2.1
705.20673	64.4
706.21271	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	705.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03436	2.7
58.00572	2.4
59.01372	37.9
60.01709	0.7
61.98820	5.9
64.98228	0.5
69.03439	2.7
71.01373	56.6
71.61493	1.0
72.01732	0.9
72.99293	3.7
73.02945	5.9
78.03795	0.6
78.95848	0.6
80.04960	0.5
80.91331	0.6
81.03442	1.6
83.01368	3.0
85.02940	26.5
87.00854	3.4
87.04433	0.6
89.02432	23.9
89.02988	1.2
95.01376	7.3
97.02944	3.1
99.00876	4.1
99.04459	0.8
101.02425	13.7
103.04024	3.9
109.02958	0.8
113.02433	42.5
116.92875	0.6
119.03542	7.9
119.05008	28.1
120.05366	1.0
125.02420	7.2
125.69832	0.7
127.03980	1.3
131.03435	0.7
132.27652	0.6
137.06073	6.6
143.03470	3.8
161.04553	5.1
163.06062	1.8
173.23369	0.6
179.05507	1.4
273.22031	1.2
277.21677	100.0
278.22006	9.9
281.10226	5.1
291.23221	4.9
292.23703	0.7
299.11310	9.2
300.11673	0.7
301.21609	1.6
303.38507	0.6
319.22723	3.9
350.07959	0.5
373.23755	7.6
374.23996	1.1
385.23514	0.9
421.25577	1.3
427.16077	6.9
428.16586	0.7
444.03314	0.6
445.17087	60.5
446.17337	7.3
541.31317	1.4
559.32483	2.1
705.38458	39.7
706.38690	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	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	37.9
61.98822	4.6
67.03425	0.6
71.01366	6.1
71.62051	0.8
73.02940	1.5
83.05006	0.8
85.02941	1.5
89.02457	1.6
95.04973	1.2
96.96027	0.9
97.02969	0.9
101.02409	1.4
113.02448	2.4
113.06055	1.3
123.08141	1.0
133.02927	0.9
136.05258	0.7
138.06842	5.3
139.07611	2.0
151.07658	3.5
152.08434	4.6
153.09206	26.0
154.09531	1.5
159.74261	0.6
161.04526	1.5
165.09175	0.8
175.03960	2.1
205.12326	12.6
223.13329	5.7
242.86545	0.7
273.22037	0.7
277.21677	100.0
278.22018	10.9
291.23093	4.1
292.23688	0.7
296.73215	0.6
301.21762	0.7
319.22852	2.1
367.17587	2.5
385.18539	2.8
407.65323	0.6
645.39740	1.9
647.39764	0.7
705.35089	5.3
706.35706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.9
59.01372	100.0
60.01709	1.0
61.98820	2.2
69.57647	1.1
69.58052	2.4
71.01383	5.3
73.02937	3.2
83.01375	0.9
83.05013	6.4
83.47337	0.5
85.02946	0.9
89.02440	2.1
89.34180	0.5
96.95980	0.8
97.06587	0.6
98.19946	0.8
101.02427	2.8
111.08115	0.5
113.02470	2.9
119.03510	1.2
121.06618	0.9
125.06117	1.0
139.07669	0.9
145.02959	0.6
160.01688	0.7
161.04575	1.5
175.04004	1.3
205.12384	1.5
240.57143	0.5
257.69403	0.5
263.23953	1.0
273.22272	2.7
277.21689	39.3
278.21967	4.0
291.23270	25.3
292.23566	2.5
301.21716	3.3
312.51190	0.5
319.22723	12.7
320.23111	2.6
331.22781	1.2
349.23917	2.0
361.24127	0.5
373.23672	0.5
379.16467	0.6
379.24594	0.6
518.63721	0.5
647.39819	1.1
705.34460	2.5
706.36060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05933	0.3
57.03468	0.3
58.00599	0.3
59.01373	11.1
61.73358	0.3
61.98827	1.4
66.24839	0.3
67.01871	0.4
68.99814	0.3
71.01373	14.6
71.54189	0.5
72.99315	1.7
73.02948	1.2
83.01390	1.1
85.02943	1.6
85.34029	0.3
87.00866	29.7
88.01211	0.5
88.98790	0.3
89.02422	0.4
89.03976	0.3
96.14259	0.3
96.96012	1.0
99.00882	0.4
101.02443	0.8
108.66167	0.3
111.00871	1.2
111.01583	0.3
112.98802	0.7
113.02444	0.8
113.83577	0.2
115.00360	44.1
116.00712	1.0
117.03452	0.8
119.05016	0.5
127.00336	0.5
132.02145	0.7
133.02921	0.5
134.03726	15.9
135.04402	1.6
137.20703	0.3
139.00395	1.8
147.04578	0.6
149.06067	1.3
150.06407	0.3
157.01425	1.8
160.01642	2.5
161.02357	0.9
161.19261	0.3
174.01668	0.8
175.02458	100.0
176.02824	4.1
176.04327	0.6
178.02628	0.4
179.03490	0.8
193.05031	19.0
194.05402	3.6
198.02928	0.3
204.59038	0.3
281.59909	0.3
307.67993	0.3
643.29047	0.3
706.31531	2.5
707.32391	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	706.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34963	0.2
53.21120	0.2
56.83213	0.2
56.99812	0.2
57.03434	0.3
58.00579	0.6
59.01372	10.5
61.12046	0.2
61.30521	0.2
61.98824	2.2
63.74881	0.2
66.72605	0.2
67.01878	0.3
68.99803	0.2
69.03458	0.2
69.31122	1.9
71.01372	14.7
72.99300	1.7
73.02942	1.2
75.00862	0.2
83.01373	1.2
85.02937	1.9
87.00863	31.3
88.01216	0.4
88.98798	0.2
89.02438	0.4
89.03948	0.4
96.95995	0.9
99.00896	0.3
101.02422	1.1
104.95019	0.2
105.46061	0.2
111.00850	1.1
112.98800	0.8
113.02448	1.2
115.00357	46.9
116.00719	1.0
117.03432	1.4
125.02331	0.2
127.00368	0.5
129.01874	0.3
132.02153	0.8
133.02928	0.6
133.37868	0.2
134.03729	19.6
135.04146	2.1
137.02406	0.5
139.00346	1.6
147.04501	0.9
148.46680	0.2
149.02472	0.3
149.06075	1.9
157.01402	1.7
160.01651	2.8
161.02425	1.0
163.03964	0.4
173.04591	0.2
174.01703	0.9
175.02460	100.0
176.02826	3.1
176.04279	0.4
178.02789	0.3
179.03548	1.1
191.05589	0.5
193.05026	23.7
194.05348	3.8
223.06116	0.3
289.70624	0.2
400.22122	0.2
438.27875	0.2
552.61182	0.2
669.40570	0.2
705.30554	0.4
706.31293	3.1
707.32263	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	706.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01376	4.7
60.21191	0.4
60.68336	0.4
60.99293	1.4
69.76192	2.1
70.62647	0.4
71.01375	1.9
72.00899	5.0
72.04545	6.2
74.02467	66.0
75.02787	0.9
75.70402	0.4
78.49152	0.4
81.03446	2.0
84.04545	9.2
85.02939	1.4
89.02439	1.9
89.98227	0.4
93.03519	0.4
95.01382	0.8
95.05028	0.8
96.04550	1.4
96.95998	5.8
97.06606	0.5
98.02486	0.6
98.95609	0.6
99.04431	0.4
100.53277	0.4
101.02432	1.0
104.03529	37.3
105.03879	0.5
107.05005	0.4
108.04534	0.4
109.06579	0.6
109.65899	0.4
113.02435	3.6
116.03497	1.0
119.03477	0.8
125.09757	0.8
133.02939	2.7
135.04472	1.0
146.75761	0.5
149.09714	0.6
159.10255	0.9
159.11710	0.4
161.02414	5.9
165.12881	1.3
179.03448	0.8
191.10777	1.5
203.10765	0.8
204.13908	2.4
209.11824	0.8
222.14984	1.5
234.14998	1.1
247.09714	1.2
248.10315	0.7
248.12912	1.1
249.11406	0.7
266.13940	26.2
267.14340	1.5
296.14993	100.0
297.15338	8.9
321.15485	3.0
327.48819	0.4
544.20337	4.5
545.20850	0.6
706.23358	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	706.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92052	0.1
59.01376	0.4
61.62006	0.1
61.63466	0.1
61.98823	100.0
62.98522	0.2
68.99511	0.1
100.30556	0.1
116.40800	0.1
154.25359	0.1
167.32938	0.1
204.29059	0.1
445.57953	0.1
550.66351	0.2
620.60681	0.1
642.37866	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	707.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02131	0.1
59.01385	0.2
70.75307	0.2
70.75638	0.2
79.95728	3.4
90.79170	0.1
96.95998	100.0
97.95927	0.4
100.31935	0.1
115.00362	0.1
118.02283	0.1
125.08106	0.1
135.04500	0.1
151.00415	0.2
152.41066	0.1
161.02402	0.2
175.02499	0.2
191.05508	0.2
213.59096	0.1
255.02876	0.2
271.02472	0.4
277.98972	0.1
282.50037	0.1
296.53394	0.1
300.02747	1.0
301.03336	0.4
323.05585	0.1
338.07721	0.1
353.10352	0.5
354.10663	0.1
454.40662	0.1
461.15390	0.1
579.47308	0.1
609.14301	1.3
610.15356	0.2
707.22620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
67.01893	0.4
68.48649	0.1
69.35839	0.1
71.01375	0.4
73.02924	0.2
82.85622	0.1
83.05025	0.3
83.06563	0.1
85.02941	6.0
87.00874	1.2
87.45323	0.1
88.59186	0.1
88.73757	0.1
93.03444	2.3
95.14872	0.1
96.95998	0.4
99.04491	0.3
109.02951	0.4
111.04507	0.9
125.02399	0.2
127.03982	1.6
133.02917	0.8
135.04509	1.8
136.55550	0.1
137.02451	0.2
155.03481	0.2
161.02420	1.6
171.03003	0.4
173.04512	2.3
174.04901	0.2
179.03468	1.2
191.05585	100.0
192.05928	4.0
193.06027	0.2
196.78687	0.1
352.07321	0.3
353.08713	18.1
354.09061	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22773	0.4
53.33330	0.4
58.64847	0.4
59.01366	1.2
69.03452	0.5
71.01369	1.1
71.61642	0.7
73.02954	0.5
83.94017	0.4
84.18443	0.4
85.02943	6.2
87.00861	2.0
93.03442	4.6
95.04977	0.5
96.96003	9.8
99.04493	0.5
101.02432	0.8
107.05038	0.8
109.02940	0.7
111.04487	2.1
117.03483	0.6
123.04500	0.9
127.03974	2.1
133.02919	2.4
134.03732	4.4
135.04507	52.0
136.04836	2.4
137.02408	1.2
151.07564	0.4
153.05487	0.5
155.03474	1.6
161.02415	3.7
167.85104	0.4
171.03004	0.4
173.04524	5.8
174.05058	0.5
179.03473	44.9
180.03792	2.7
181.12262	0.5
191.05582	100.0
192.05983	4.2
193.06122	0.5
234.99208	0.5
265.41556	0.4
271.40942	0.4
311.48657	0.4
315.10803	0.8
331.22543	0.5
342.47693	0.5
349.15445	0.5
353.08713	73.4
354.09045	7.4
355.09622	0.5
366.14792	0.4
391.04156	2.0
391.10696	0.7
400.72156	0.4
427.87784	0.5
467.97421	0.5
576.80493	0.5
707.19403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02957	0.6
59.01374	11.1
60.06997	0.4
67.79617	0.4
69.03441	0.7
69.29350	4.7
69.35028	0.4
71.01375	7.9
72.99303	0.6
73.02944	1.8
75.00878	0.6
83.01389	1.1
85.02956	2.6
87.00891	0.7
89.02432	3.6
95.01403	0.8
96.96018	0.7
99.00873	0.8
101.02451	3.1
113.02445	5.8
117.03458	2.3
119.03503	1.0
119.05000	4.0
125.02445	0.9
128.10802	1.5
130.08728	14.7
131.09059	3.3
132.02147	18.4
132.09087	0.8
133.01448	0.9
133.02940	1.0
134.03725	16.2
135.04539	4.9
137.06081	2.7
145.02922	5.3
149.06058	1.7
160.01637	71.7
161.02361	4.6
163.03943	0.8
172.09761	0.5
173.10098	0.6
175.03976	100.0
176.04283	5.5
178.02721	0.7
179.03476	1.8
188.89975	0.5
193.05019	10.9
194.05437	0.7
281.10281	1.1
299.11346	0.5
308.18579	0.8
309.18982	0.6
338.19559	1.0
352.17590	5.9
353.17935	7.1
354.18115	3.8
445.16992	0.8
469.16779	0.6
487.18304	2.5
547.21991	1.4
607.20465	1.1
623.19482	0.6
663.22864	44.9
664.23322	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	707.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
59.01373	9.4
61.98826	3.4
69.03438	0.8
71.01374	5.7
71.62784	0.7
72.99306	0.7
73.02934	2.4
73.57557	0.5
85.02953	1.7
89.02429	5.0
91.05534	0.7
93.03442	2.4
96.96004	10.8
97.02953	0.7
98.95573	1.4
99.00856	3.7
101.02427	4.9
111.04514	0.7
111.78689	0.5
112.02422	0.5
113.02428	1.1
117.03472	1.5
119.01386	0.7
119.05009	1.4
121.02938	10.3
125.02443	1.8
127.03897	0.5
130.08694	0.5
131.03510	1.2
132.02177	1.4
133.02933	1.9
134.03726	6.6
135.04512	9.5
137.02448	0.8
147.04506	5.2
149.02422	74.0
150.02792	3.4
152.01192	0.6
160.01642	1.1
161.02431	5.1
161.04544	1.5
163.03958	1.6
164.04770	65.6
165.05075	3.1
173.04520	6.1
175.00345	5.4
175.03975	1.6
177.05399	0.5
179.03485	4.1
179.07095	8.4
181.04973	0.5
190.02673	13.8
191.03369	0.9
191.05664	0.5
193.01419	0.5
193.05019	6.5
205.05020	13.2
206.05536	1.0
208.03738	2.1
221.04485	0.5
221.08066	0.6
223.06079	100.0
224.06413	6.4
236.06833	0.8
247.06042	0.8
251.09338	3.6
265.07132	9.4
266.07504	0.5
291.29651	0.5
295.08188	20.8
296.08643	1.4
315.44376	0.5
349.95218	0.5
355.10278	24.2
356.10428	2.3
397.11328	15.4
398.11713	1.9
427.12369	11.3
428.12503	1.2
436.79163	0.6
457.13425	15.9
457.19916	0.9
458.13843	2.0
545.16547	2.1
581.97968	0.6
647.38220	2.5
669.27606	1.0
669.40533	0.9
671.29437	1.1
707.28607	7.6
708.28259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98842	0.3
69.42325	1.8
69.42744	0.5
71.01379	1.6
73.02945	0.7
74.79966	0.3
81.08571	0.2
85.02932	0.6
87.00874	0.4
88.98780	0.3
89.02459	0.7
89.03963	1.4
96.96014	0.7
98.19770	0.4
101.02432	0.7
109.01541	0.2
113.02422	0.4
117.03454	5.4
132.02156	3.0
134.03726	80.9
135.04025	4.0
149.06067	6.4
150.06366	0.5
156.58740	0.2
160.01636	9.9
161.02423	0.7
175.03979	9.8
176.04326	0.6
176.14090	0.3
178.02628	0.3
179.03479	0.6
179.29987	0.3
193.05029	100.0
194.05391	5.9
195.05684	0.4
236.44705	0.3
264.08713	0.3
347.71384	0.3
382.37390	0.3
459.66763	0.3
485.32764	0.4
645.39679	0.3
647.37665	0.6
671.28741	0.6
707.32581	11.9
708.32855	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25770	0.2
59.01364	2.0
65.69781	0.2
70.92694	0.5
71.01368	2.2
72.99317	0.4
73.02940	0.5
76.62405	0.2
85.02939	0.9
88.27655	0.2
89.02444	0.7
89.03950	1.5
96.96023	0.3
99.00801	0.3
101.02440	1.3
113.02428	0.8
117.03449	6.2
118.03783	0.5
118.98092	0.3
122.06047	0.2
132.02165	2.3
133.02989	0.5
134.03722	87.5
135.04123	2.7
147.04443	0.2
149.06064	7.5
149.66103	0.2
150.06335	0.4
152.07108	0.3
160.01636	11.2
161.02342	1.0
161.04509	0.3
163.03986	0.2
165.82980	0.2
170.64461	0.2
175.03964	9.5
176.04295	0.7
178.02632	1.2
179.03502	1.4
193.05022	100.0
194.05353	5.7
195.05426	0.3
195.56908	0.2
244.06554	0.2
246.20641	0.2
485.32370	0.6
612.25446	0.4
644.27814	0.4
671.39856	0.5
707.32697	17.7
708.32953	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	707.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34139	1.1
55.01870	1.1
57.03425	1.8
58.00566	2.0
59.01371	40.4
61.98819	25.1
66.45338	0.9
69.03442	2.2
70.75108	1.5
70.75425	2.4
71.01372	29.1
72.99292	3.5
73.02931	5.3
75.00846	1.6
75.31895	1.0
78.95879	2.0
83.01387	4.0
85.02939	8.3
87.00852	7.1
89.02438	29.6
95.01378	2.4
96.95997	10.2
97.02943	5.0
99.00889	1.1
99.04473	1.4
101.02435	26.1
113.02435	12.5
119.03464	8.7
125.02437	9.2
133.05017	2.5
134.47511	1.0
135.04518	1.8
143.03502	5.4
145.02921	3.8
161.02438	2.6
161.04541	5.9
179.05658	6.2
183.13727	1.2
199.06125	1.4
213.14890	1.7
221.06712	1.4
235.08160	12.4
245.06569	1.4
249.18533	66.1
250.18855	5.5
253.09172	3.1
287.07672	2.6
305.08630	3.4
341.12842	1.5
351.50586	1.3
397.13437	100.0
398.13834	10.5
415.14511	35.7
416.14932	2.6
422.15195	1.3
505.91916	1.3
603.38800	1.8
621.39362	2.1
647.37415	1.6
663.40912	2.3
670.32513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4002
Annotation	CHEBI:69158
Peak:m/z	Relative Intensity
51.43707	1.0
54.04504	0.9
57.09677	1.0
59.01378	6.5
61.98808	4.3
69.47508	2.1
69.47913	5.6
71.01369	6.2
72.99297	21.5
85.02948	1.6
89.02434	2.0
95.01367	1.4
96.95988	3.8
101.02410	1.6
111.88948	1.1
113.02451	2.1
131.79277	1.2
152.06346	1.1
161.02463	1.2
210.96834	0.9
292.65393	1.2
439.32181	1.4
453.33929	1.5
460.52267	1.2
471.34656	4.6
483.34387	1.9
485.32715	1.6
526.30505	1.2
527.33655	38.3
528.34039	7.5
564.82312	1.1
651.32275	1.3
664.07983	1.5
698.83405	1.1
707.40015	100.0
708.40491	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	707.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66083	0.1
59.01355	0.2
62.86669	0.1
69.38940	1.3
79.95692	1.5
94.90599	0.1
95.95247	0.4
96.95996	70.8
97.95898	0.2
98.20690	0.2
108.82958	0.1
125.67775	0.1
128.60124	0.1
133.89499	0.2
140.02998	0.1
141.32625	0.1
184.36575	0.2
218.35092	0.2
248.43364	0.2
265.14734	100.0
266.15054	7.9
391.44452	0.2
447.15146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22488	0.1
59.01376	0.3
61.98822	100.0
62.98531	0.1
70.94010	0.2
70.94346	0.1
71.97814	0.1
101.02417	0.1
152.05859	0.1
214.76494	0.1
277.21710	0.9
278.22076	0.6
279.55151	0.1
291.96854	0.1
387.20435	0.1
388.20627	0.1
648.41388	0.1
708.36023	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	708.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
61.98822	100.0
71.01379	0.3
71.62352	0.3
119.05002	0.3
145.02943	0.3
168.94695	0.2
208.66653	0.2
231.47159	0.2
279.22739	0.3
285.03903	1.2
394.84546	0.2
510.21689	0.3
527.33905	0.4
528.34015	0.3
689.68970	0.2
709.32806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01123	0.6
59.01373	5.9
69.33562	4.5
71.01369	5.4
73.02943	0.9
82.95404	1.4
83.01365	0.6
84.95107	4.2
85.02935	2.5
89.02435	1.2
95.01402	0.9
96.96030	0.6
99.00887	0.7
101.02444	0.7
105.03456	0.6
107.01412	0.5
113.02438	5.2
117.03447	1.1
123.04517	2.0
125.02411	0.7
132.02158	2.5
133.02942	40.4
134.03300	1.6
135.04510	12.8
136.04802	0.7
145.02988	1.0
153.05612	0.9
155.03398	0.6
161.02425	100.0
162.02776	5.8
163.03989	0.9
179.03500	2.3
255.77077	0.6
297.09958	0.6
315.10791	0.9
325.81900	0.5
411.57123	0.5
461.16693	1.7
503.17715	3.9
504.18118	0.6
623.19684	2.2
665.20764	53.9
666.21039	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	709.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01372	7.0
65.83868	0.3
65.88541	0.3
69.03458	0.5
69.91256	1.5
71.01373	5.2
73.02938	1.0
77.03934	0.3
81.03439	0.4
83.01384	0.6
85.02930	2.9
87.00890	0.3
89.02448	1.3
89.03965	0.3
93.03424	0.3
95.01386	0.9
96.95995	0.7
97.02955	0.7
98.20550	0.6
99.00893	0.4
101.02434	1.5
105.03427	0.6
111.00874	0.3
113.02441	5.3
117.03451	1.0
119.03466	0.4
123.04523	1.8
125.02426	1.1
132.02145	2.6
133.02940	39.6
134.03351	1.3
135.04506	12.8
136.04837	0.4
137.02473	0.5
143.03505	0.3
153.05562	1.3
155.03508	0.5
161.02420	100.0
162.02765	5.0
163.03952	0.4
170.29184	0.3
173.04457	0.5
179.03462	2.7
191.05656	0.7
193.05064	0.9
297.09827	0.7
305.41962	0.4
315.10672	1.0
461.16925	0.8
503.17535	4.7
504.18372	0.7
535.17761	0.4
623.19623	0.7
636.68738	0.4
665.20764	49.0
666.21198	10.6
709.29810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28094	0.4
59.01376	8.0
69.03465	0.6
69.24728	0.4
71.01379	5.8
71.61318	0.5
73.02936	0.8
84.87780	0.4
85.02930	2.2
89.02441	1.2
95.01361	1.0
95.79596	0.4
96.96006	0.5
97.02911	0.8
99.92579	2.1
101.02419	1.8
105.03446	0.5
107.28670	0.5
113.02427	4.3
115.01878	0.5
115.40092	0.4
116.92853	14.5
116.98248	0.5
117.03449	1.5
118.36463	0.5
119.03548	0.7
119.05003	0.5
123.04527	1.4
125.02450	0.9
132.02167	2.7
133.02943	37.9
134.03391	0.9
135.04509	16.5
136.04836	1.1
153.05539	1.2
155.03471	0.7
157.92139	0.5
161.02423	100.0
162.02766	5.3
173.04529	0.6
177.05504	0.4
179.03461	5.9
191.05598	0.5
242.61609	0.4
262.16763	0.4
297.09863	0.8
315.11087	1.2
319.14105	0.6
323.07590	0.6
461.16586	0.9
503.17654	3.8
504.17563	0.6
506.46078	0.5
623.19415	1.2
665.20764	52.6
666.21112	10.8
691.15186	0.8
692.17090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
59.01365	1.1
61.53636	0.5
67.01897	2.7
68.99822	1.0
70.03025	1.9
71.01385	3.8
75.00885	0.5
85.02946	1.0
87.00863	1.0
89.02421	0.8
89.03977	1.5
93.03449	6.4
95.05006	7.1
96.96004	2.5
99.00862	2.5
101.02448	3.6
111.00882	1.3
111.04500	0.9
113.02450	0.7
114.16319	0.5
117.03452	6.8
119.03519	0.6
121.02939	1.2
127.03987	4.9
134.03725	74.5
135.04080	2.9
137.02440	2.3
139.00397	1.4
139.03996	1.5
147.02974	8.7
149.06056	7.3
155.03479	0.5
160.01620	0.6
165.04057	2.6
165.05464	1.1
173.04524	20.9
174.04845	0.7
175.04056	1.0
178.02696	5.4
191.05603	3.1
193.05028	100.0
194.05359	5.5
235.06174	0.6
241.07179	1.8
312.75894	0.5
338.29248	0.5
341.08710	32.4
342.08994	3.2
367.10275	6.1
548.98773	0.5
624.76251	0.5
709.19513	2.3
710.20782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03480	0.8
59.01373	13.5
61.98825	11.2
68.13571	0.6
71.01370	10.9
71.62086	0.8
72.88101	0.6
72.99310	1.3
73.02943	4.1
83.01394	1.5
85.02942	5.2
87.00917	1.5
89.02440	4.1
91.01580	0.7
93.03477	2.0
95.01418	0.8
96.96018	1.8
99.00916	2.1
101.02432	9.3
105.03457	0.7
111.00913	0.7
113.02428	4.9
113.68487	0.6
117.03448	3.9
118.03840	0.9
119.03494	0.9
119.05048	1.1
121.02932	21.0
122.03768	0.9
123.04501	0.9
132.02155	25.8
133.02989	6.8
134.03723	53.8
135.04575	18.6
136.01666	2.0
137.02454	1.3
147.04517	1.5
149.02451	2.2
149.06035	6.6
150.06406	1.1
151.03946	2.1
160.01634	100.0
161.02393	11.3
161.04529	1.4
161.05940	0.7
163.03981	2.5
164.04747	2.2
165.09294	0.6
175.03970	98.4
176.04311	5.7
178.02742	1.4
179.03459	10.7
180.03696	0.7
185.38138	0.6
191.07079	1.0
193.05022	48.8
194.05367	12.2
195.05490	4.1
205.04942	1.1
217.04956	1.6
221.18896	0.7
223.06107	4.7
235.05997	0.8
287.07288	0.7
322.07150	0.7
337.09225	65.6
338.09604	5.5
356.12589	20.7
357.13251	6.1
371.14941	8.3
372.15057	1.5
437.93085	0.6
469.32901	2.3
487.34476	7.0
488.34811	0.8
517.33685	4.2
552.98438	0.7
631.37518	2.2
649.39197	64.2
650.39514	8.5
655.39630	1.1
673.26788	1.2
708.31897	2.0
709.23962	51.0
710.24670	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	709.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87441	0.3
59.01373	7.4
59.12239	0.3
61.98830	1.2
62.85596	0.3
71.01383	2.5
71.80454	0.3
73.02951	0.6
73.70837	0.3
73.78259	0.3
85.02944	1.5
87.00886	0.4
88.67835	0.3
93.03446	2.5
99.00864	0.3
101.02449	1.2
105.03468	0.6
107.05061	0.4
108.02190	0.5
109.02913	0.6
113.02453	1.4
117.03470	1.0
119.05038	0.7
121.02945	18.3
122.03786	0.6
132.01367	0.3
132.02161	23.3
133.02902	3.0
134.03731	30.0
135.04593	4.1
136.01651	1.3
137.02420	1.2
145.02934	0.4
147.04535	1.1
149.06061	5.2
151.04013	1.3
159.04498	0.6
160.01639	97.9
161.02063	5.0
162.03133	0.7
163.03934	1.6
174.03195	0.6
175.03981	100.0
176.04332	5.8
177.01913	0.4
177.05583	1.0
178.02663	1.3
179.03462	2.3
191.07159	0.8
193.05043	21.6
194.05322	2.2
195.05623	0.4
202.02693	0.8
217.05014	1.5
223.06094	0.6
229.11871	0.3
235.06104	0.5
245.04568	0.4
277.06995	0.5
317.33493	0.3
322.06799	0.7
337.09247	61.9
338.09613	5.9
356.12601	21.0
357.13260	5.7
358.13437	0.5
371.14929	8.7
372.15274	0.7
432.83047	0.4
485.32254	0.4
487.34204	18.0
488.34674	2.1
546.64093	0.4
649.39050	2.5
650.38971	0.4
709.24780	58.6
710.25183	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	709.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46330	1.6
59.01373	72.4
61.66135	1.8
61.98830	11.8
71.01360	2.4
71.62013	2.2
71.62391	2.1
75.00865	2.6
80.48035	1.6
82.06599	1.7
82.91389	1.8
85.02941	2.2
88.98779	1.9
89.02431	4.0
96.95978	5.4
100.78873	1.8
101.02451	2.4
118.06608	5.0
118.20129	1.6
119.04971	2.8
130.08725	7.7
131.04980	4.6
134.03722	16.0
135.04565	10.3
138.14462	1.9
144.83409	2.0
146.06020	2.6
147.04497	2.6
149.05984	3.0
161.02396	5.4
161.04712	2.9
162.05547	3.4
164.07123	3.5
175.03873	2.2
176.07101	5.1
178.04974	2.4
179.03445	5.3
190.62309	1.8
193.04987	19.1
194.05385	5.0
195.06610	3.7
206.04530	2.2
216.13882	4.5
220.05994	2.6
260.12814	3.2
277.15524	2.2
317.35699	2.1
487.33585	2.2
515.80902	2.3
573.24200	7.5
578.19623	2.4
649.38916	2.3
673.28339	5.5
677.27417	2.8
709.29608	100.0
710.30048	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93769	0.6
56.46185	0.5
59.01369	5.3
61.98807	1.1
67.01889	0.7
71.01378	4.7
71.62677	0.8
73.02939	1.5
83.01370	1.6
85.02947	2.4
87.00878	0.8
89.02439	2.9
91.05529	1.3
91.11301	0.6
93.03461	1.7
96.96004	1.0
97.48598	0.6
99.00880	1.7
101.02433	3.2
105.03414	0.8
107.05021	1.9
110.90877	0.7
111.00870	0.9
113.02444	1.5
117.03448	2.0
119.05011	3.2
121.02892	0.8
123.04493	1.2
126.90382	24.3
126.93565	0.9
127.00375	3.0
128.03526	5.2
129.04384	0.6
132.02184	1.7
133.02946	18.6
134.03738	10.4
135.04514	100.0
136.04845	4.6
136.81476	0.7
137.02405	0.9
137.05064	0.7
145.02930	1.3
149.02406	2.4
152.01247	0.8
160.01634	1.9
161.02426	56.5
162.02773	2.9
163.04012	2.8
164.04773	13.4
165.05217	0.9
169.65137	0.6
170.03801	1.2
171.04451	1.8
173.04536	1.4
175.00351	1.3
175.03979	2.5
179.03476	53.7
179.07054	11.2
180.03806	2.7
190.02654	3.9
191.05571	0.7
193.04996	4.1
205.05026	4.8
215.03455	5.3
223.06107	3.4
225.09938	0.8
249.36382	0.7
263.12915	0.7
283.06146	0.9
287.09195	1.1
298.08377	0.7
337.09329	0.7
341.12296	2.1
367.10318	7.8
371.11798	0.8
529.14972	8.8
530.15326	1.7
541.08154	0.7
547.18079	3.9
548.17969	0.9
665.33612	0.8
709.30670	70.3
710.30920	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	709.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	2.9
63.02382	0.7
65.00314	16.1
66.00638	0.4
70.37018	0.4
71.62073	0.4
73.76751	0.4
79.01881	0.4
83.01368	4.8
93.03432	0.4
97.02940	0.4
107.01376	21.1
108.01716	0.6
109.02937	2.0
121.02935	0.7
125.02429	4.8
131.01358	1.2
134.03712	1.3
135.04504	52.6
136.04819	2.4
137.02414	0.7
146.00206	0.3
149.02415	0.4
149.99792	0.5
151.00346	89.0
152.00710	3.2
161.02449	0.9
165.01903	0.7
169.01376	0.9
175.00314	4.7
177.01962	0.7
193.01370	1.0
249.79134	0.4
269.04413	0.4
287.05563	100.0
288.05893	7.3
342.35364	0.4
642.47284	0.4
685.11841	0.5
709.32007	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	709.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81469	0.3
55.01863	0.9
57.03445	2.5
58.00573	1.2
59.01370	25.8
61.98813	1.3
67.71951	0.3
69.03426	0.5
69.31936	1.0
69.32356	1.9
71.01369	22.0
71.63239	0.3
72.99294	5.3
73.02937	2.3
75.00859	11.4
79.54025	0.4
83.01363	1.8
83.04926	0.4
84.02151	0.5
85.02938	16.9
87.00868	5.3
89.02428	10.6
95.01377	4.5
96.95986	0.5
99.00862	7.7
101.02431	6.4
103.00351	1.5
111.00832	0.6
113.02431	16.9
115.00331	1.4
117.01908	1.5
119.03493	2.4
119.72975	0.3
129.01871	1.1
131.03497	0.6
157.01465	0.6
175.02412	1.2
183.13849	1.0
205.07207	0.6
249.06125	2.2
251.38980	0.3
267.07166	1.8
279.23233	5.9
280.23651	0.5
297.24258	2.2
425.01913	0.4
459.29532	4.1
460.30179	0.5
515.98566	0.4
649.39673	2.2
650.39478	0.4
652.18549	0.3
691.35315	1.3
709.36389	100.0
710.36755	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	709.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03429	2.1
58.00581	1.2
59.01372	30.6
61.98817	1.8
65.05699	0.5
66.53987	0.5
69.93858	2.9
71.00988	1.1
71.01376	22.4
72.99299	5.1
73.02933	2.6
75.00864	10.3
83.01369	2.0
85.02937	17.4
87.00871	4.9
89.02430	9.6
93.03399	0.6
95.01378	3.2
96.95989	1.2
98.20588	1.0
99.00861	5.8
101.02430	9.4
102.02778	0.6
103.00322	1.1
113.02438	14.0
115.00349	1.5
117.01878	1.3
119.03500	3.1
129.01910	1.2
175.02464	0.9
183.13858	1.2
231.05092	0.6
249.06122	5.0
279.23230	6.3
280.23505	0.7
297.24313	2.3
303.20477	0.5
459.29672	4.8
460.29916	0.6
487.34207	1.4
631.38483	1.8
649.39429	43.2
650.39801	8.4
681.01251	0.6
691.35022	1.1
709.36407	100.0
710.36786	21.0
710.46521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03442	1.7
57.84247	0.9
58.00601	1.0
59.01373	94.9
61.98834	5.7
61.99118	1.1
62.46488	1.0
65.45071	1.0
68.99815	1.0
69.03444	1.9
70.93832	1.6
70.94148	1.1
71.01373	31.2
71.05016	1.2
72.99312	2.4
73.02940	6.1
73.24229	0.9
75.00860	1.1
80.05052	1.7
83.01362	6.2
83.34344	0.9
85.02945	17.1
87.00868	3.0
89.02435	12.4
95.01382	3.7
96.95995	3.6
97.02934	1.3
99.00893	3.4
101.02434	24.0
106.06626	1.0
110.40577	0.9
111.00865	3.3
113.02435	15.1
119.03499	4.4
119.05037	1.5
122.06101	11.6
124.01698	1.3
125.02434	5.9
129.09174	2.0
133.02957	3.7
134.06110	3.0
135.04506	4.3
143.03465	3.7
146.06087	1.3
151.01965	1.0
152.07150	13.8
153.07507	1.7
159.02991	1.7
161.02402	9.0
161.04578	3.4
162.02765	1.8
163.03978	1.0
174.05588	1.1
174.61482	0.9
179.03497	2.9
179.05479	1.4
180.06650	1.4
181.32558	1.0
188.07181	1.4
213.10405	3.0
217.95485	0.9
239.11897	2.9
241.13422	1.9
245.12947	1.8
265.09689	1.9
267.11243	1.2
277.09729	1.3
278.07053	1.3
278.10342	1.2
279.07755	1.6
279.11081	1.2
285.12531	7.2
293.09375	3.2
293.12906	1.9
294.09940	1.5
295.10733	2.4
307.10712	1.6
325.12161	1.3
337.08255	2.8
339.09668	1.0
358.15546	3.1
378.67892	1.1
383.80359	1.0
400.16852	2.4
425.34320	1.2
443.29999	2.2
459.18048	1.8
460.18661	2.8
461.31271	4.8
469.33279	6.8
487.17886	7.6
487.34195	100.0
488.17505	4.8
488.34595	16.9
489.17752	6.4
490.17740	1.3
503.16571	1.5
504.17322	2.8
513.39301	1.1
547.25555	1.5
550.22021	3.8
565.24542	6.8
597.26929	1.6
605.35345	68.7
606.35583	13.1
609.23035	5.0
623.36383	53.1
624.36646	9.4
641.26068	33.9
642.26123	8.4
649.39392	2.7
665.37506	13.6
666.37891	4.3
673.28729	16.8
674.28790	6.0
709.31049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21242	0.4
55.01865	1.4
56.26819	0.3
57.03439	2.2
58.00578	1.4
59.01372	32.2
61.98823	4.2
67.01871	0.7
68.99803	1.2
69.03439	0.9
69.46519	2.1
69.46953	0.5
69.86898	0.3
71.01374	27.8
72.99298	6.6
73.02934	3.4
75.00446	0.7
75.00864	13.1
78.95894	0.5
81.03439	0.5
83.01376	3.1
83.05000	0.5
84.02150	0.5
85.02943	18.6
86.03259	0.5
87.00873	4.3
89.01906	0.7
89.02433	11.5
91.03989	0.3
95.01371	4.8
96.95992	3.7
96.97008	0.3
97.02944	0.6
99.00867	7.2
101.02432	13.1
103.00358	0.8
111.00871	0.8
113.02437	17.1
114.02811	0.5
115.00343	1.3
117.01897	1.2
119.03461	2.7
123.04469	0.4
129.01912	1.0
131.03517	0.5
133.03006	0.3
134.03722	0.4
135.04515	0.7
139.00348	0.4
145.02954	0.5
157.01419	0.6
161.02412	1.1
161.04564	0.5
174.01620	0.4
175.02429	1.4
179.03494	0.6
180.65710	0.4
183.13840	1.4
193.05067	0.4
205.06938	0.4
231.05045	0.5
249.06122	4.7
250.06517	0.5
267.07101	0.9
279.23221	7.4
280.23489	0.6
297.21420	0.4
297.24277	2.3
335.85077	0.4
441.28519	0.4
459.29636	5.2
460.29922	0.7
468.59177	0.4
469.33038	1.1
487.34149	3.0
488.34708	0.4
501.31207	0.4
605.34814	0.4
631.38397	2.9
632.38654	0.6
649.39459	84.4
650.39777	18.6
650.50842	0.7
691.35419	1.0
709.36395	100.0
710.36768	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	709.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34122	0.2
59.01373	38.8
60.01709	0.4
61.98824	0.8
63.80007	0.3
65.72735	0.2
71.01374	0.9
71.39116	0.4
71.39478	0.3
75.42365	0.2
85.02916	0.3
89.02437	0.7
100.95984	0.2
101.02444	1.0
113.02438	0.4
119.03467	0.5
122.36098	0.2
130.82892	0.2
134.03732	4.4
135.04572	2.0
136.04259	0.3
149.02354	0.3
149.06093	0.4
151.04070	0.3
160.01627	0.4
161.02434	1.2
161.04602	0.5
165.05475	0.2
175.04007	0.5
176.04486	0.3
179.03520	0.9
191.05641	0.3
193.05051	3.9
193.06723	0.4
194.05368	1.9
195.05632	0.4
216.27306	0.2
221.06546	0.3
223.06049	0.5
323.85455	0.3
405.31433	0.6
421.31323	0.3
427.32272	0.6
437.30515	1.5
443.35333	0.5
469.33301	6.0
470.33527	1.1
472.68652	0.3
487.34213	100.0
488.34576	17.8
615.31207	0.3
647.28802	0.4
649.39569	1.6
650.39740	0.5
709.31061	2.2
709.42084	1.0
710.30792	0.4
710.42236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	34.5
60.01700	0.4
61.98823	2.0
71.01380	1.5
73.02952	0.4
73.88226	0.2
85.02927	0.7
89.02451	1.3
93.03392	0.2
95.01378	0.3
96.96008	0.6
101.02453	1.4
113.02460	1.4
119.03508	1.1
119.04990	0.2
133.02959	0.8
135.04504	1.0
137.06151	0.3
161.02467	1.2
161.04529	0.5
162.02783	0.3
173.04608	0.3
179.03427	0.9
193.05092	0.3
210.45853	0.2
221.06717	0.3
379.30148	0.3
409.30930	0.5
469.33093	0.5
487.34216	100.0
488.34552	18.9
497.32327	0.3
501.35751	0.5
529.35364	1.1
649.30170	0.4
649.39496	1.6
650.39606	0.3
709.30103	0.4
709.41443	1.3
710.42297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59277	0.2
55.56613	0.2
59.01372	34.7
60.01711	0.5
61.98833	1.1
65.57294	0.2
69.27209	0.7
69.27625	1.4
71.01378	1.2
72.99311	0.3
73.02946	0.3
85.02962	0.6
89.02439	0.9
93.03461	0.5
95.01362	0.3
96.96020	1.0
98.14197	0.2
101.02410	1.4
105.03429	0.2
113.02444	1.3
114.40646	0.2
117.82935	0.2
119.03493	0.4
119.55962	0.2
121.02936	3.3
132.02147	5.0
133.02940	0.7
134.03726	5.2
135.04546	1.1
136.01675	0.2
149.06062	0.7
151.03966	0.3
160.01639	19.4
161.02338	1.1
161.04544	0.6
163.04039	0.3
175.03976	19.8
176.04346	1.0
178.02663	0.3
179.03450	0.4
191.07199	0.2
193.05037	4.2
193.68590	0.2
194.05316	0.3
205.12419	0.2
262.03763	0.3
305.58170	0.2
337.09253	12.4
338.09668	1.1
351.11484	0.2
356.12610	3.7
357.13187	1.3
364.99179	0.2
371.14893	1.6
421.31146	0.7
441.33240	0.3
485.32349	0.5
487.34204	100.0
488.34540	17.2
501.36279	0.4
529.35205	1.7
623.36102	0.4
649.29224	0.3
649.39508	5.4
650.39630	0.9
709.24829	11.9
709.41400	0.8
710.25226	3.3
710.42389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06766	0.2
57.03477	0.3
58.00603	0.3
59.01373	42.6
61.78558	0.2
61.98830	0.9
66.32169	0.2
69.03465	0.4
70.79311	0.5
71.01366	3.7
71.01704	0.3
71.05013	0.7
72.99319	0.5
73.02930	0.4
77.78406	0.2
83.01371	0.4
83.05033	0.3
85.02919	1.6
89.02436	2.4
95.01377	0.5
96.95986	1.1
97.02951	0.3
99.00845	0.3
101.02430	2.9
113.02448	2.1
119.03495	1.3
129.09210	0.3
131.03529	0.3
133.02991	0.7
135.04494	1.1
137.73892	0.3
142.31111	0.2
143.03510	0.3
161.02446	2.7
161.04544	0.6
179.03510	1.1
179.05612	0.3
221.06784	0.3
280.85162	0.2
327.98367	0.2
407.33212	0.8
423.32538	1.0
425.34506	0.6
427.32425	0.5
439.32294	0.3
443.35162	0.5
461.31250	0.5
469.33218	7.1
470.33456	1.4
487.34216	100.0
488.34552	16.2
504.15649	0.4
605.35327	4.4
606.35925	0.6
623.36383	3.3
624.36829	0.6
649.39337	1.7
650.39984	0.5
665.37964	0.6
709.31293	0.4
709.41876	1.8
710.42041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39995	0.3
55.01861	0.9
55.38120	0.3
56.26275	0.3
57.03449	0.4
58.00588	0.4
59.01373	10.0
61.98573	0.3
61.98822	3.5
69.58273	1.8
69.58684	0.6
71.01375	7.2
72.99266	0.5
73.02955	2.6
77.87133	0.3
78.95904	0.4
83.01381	1.7
85.02945	4.0
89.02428	2.2
92.33260	0.3
95.01385	0.7
96.96014	4.8
97.02945	0.5
99.00837	0.9
101.02438	8.4
102.90048	0.3
113.02418	2.4
119.03454	0.8
120.09124	0.3
133.02945	0.6
135.04501	0.9
161.02385	1.4
179.03455	1.1
189.26593	0.3
211.07632	0.3
285.20660	0.7
319.91144	0.4
375.02444	0.4
425.30588	0.5
455.31564	1.3
467.31430	1.0
469.33200	1.4
487.34201	26.6
488.34616	4.0
501.30606	0.8
502.30594	0.6
503.31131	1.0
589.35162	0.6
649.39453	100.0
650.39801	21.2
698.20264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03434	1.0
58.00578	0.4
59.01372	13.1
61.98820	2.9
69.29610	0.3
69.29914	3.0
70.92834	0.3
71.01376	11.4
72.99298	0.8
73.02937	3.9
75.00845	0.7
75.71580	0.3
83.01383	2.8
85.02947	5.5
87.00864	0.6
89.02442	3.3
95.01379	1.1
95.26465	0.3
95.96954	0.3
96.35489	0.3
96.96001	0.8
98.19823	0.6
99.00858	1.5
101.02435	9.7
105.05700	0.3
106.06572	0.8
113.02445	5.0
117.03419	0.4
119.03503	1.0
119.05035	0.8
124.69458	0.3
125.02427	0.3
129.01918	0.5
133.02943	0.7
134.03732	5.1
135.04587	2.9
143.03506	0.5
149.02322	0.4
149.06104	0.5
150.05557	0.3
156.78502	0.3
159.02998	0.4
160.01620	0.9
161.02458	1.6
161.04558	1.3
163.03949	0.9
175.03934	1.1
179.03476	1.4
193.05023	5.3
194.05359	1.6
195.05510	0.4
208.59445	0.3
223.06107	0.3
285.04031	3.7
286.04581	0.4
318.72787	0.3
377.28519	0.3
393.31451	0.6
399.39490	0.3
406.12238	0.3
441.33667	0.8
443.35794	0.4
487.34305	6.5
488.34549	0.9
517.33710	0.7
603.39105	0.4
605.40771	0.5
619.38092	0.4
631.39172	0.6
649.39447	100.0
650.39825	20.5
673.28986	0.5
709.31458	2.7
725.43158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03440	1.1
58.00584	2.1
59.01372	100.0
69.03487	1.0
70.20937	2.9
71.01374	41.0
72.99305	2.1
73.02937	41.7
75.91881	0.8
83.01374	12.7
85.02935	11.3
87.00883	2.6
89.02435	23.8
95.01383	3.6
99.00878	2.6
101.02432	44.4
102.02769	1.6
113.02434	24.2
117.03434	2.3
119.03613	7.6
119.05010	50.6
120.05328	2.6
125.02430	1.5
131.03464	4.1
137.06068	1.9
137.35947	0.9
143.03464	3.7
145.02940	8.9
149.04558	6.3
158.53873	1.1
161.04515	12.1
163.03983	2.1
179.05595	1.9
203.05780	1.5
221.06606	2.3
272.44839	0.9
281.10275	51.8
282.10623	4.7
284.70395	1.2
299.11264	11.8
300.11569	1.9
325.09244	2.3
341.12338	72.7
342.12714	9.1
363.10489	0.9
425.62958	1.0
459.13824	1.1
628.85583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03429	1.3
58.00571	1.3
59.01371	100.0
69.03459	1.7
69.85407	6.3
71.01371	43.0
73.02937	39.5
83.01375	13.3
84.15797	1.0
85.02942	11.5
87.00878	2.8
88.63919	1.2
89.02428	23.7
92.97124	1.1
95.01369	2.0
99.00852	2.2
101.02429	46.3
102.02779	1.7
113.02427	25.0
113.23329	1.2
117.03420	3.5
119.03602	8.9
119.05009	50.5
120.05322	2.2
125.02364	2.1
131.03465	4.6
137.06039	2.7
143.03485	6.8
145.02940	10.7
149.04530	7.0
161.04552	11.3
163.03984	2.9
168.54404	1.2
179.05614	2.9
203.05580	1.4
221.06717	3.0
281.10254	68.1
282.10587	4.3
299.11273	15.5
300.11398	1.4
325.09332	2.8
341.12344	81.7
342.12643	10.3
360.57809	1.2
513.69110	1.2
514.99292	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	711.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
59.01088	1.5
59.01370	19.3
61.98822	1.8
67.01881	10.6
68.99811	7.4
69.03452	9.7
69.30635	4.3
69.31065	3.1
71.01379	19.0
71.48083	0.7
72.99281	3.4
73.02942	7.3
82.95406	8.8
83.01392	1.1
85.02933	5.4
87.00861	1.5
88.98799	1.0
89.02438	28.1
89.03957	1.9
93.03447	2.9
95.01375	0.9
95.05016	20.1
96.96011	2.4
97.02951	2.2
99.00875	11.5
99.04501	1.4
101.02434	20.8
108.02129	1.4
111.00867	11.7
113.02426	2.6
115.03973	0.9
117.03460	6.2
119.03502	0.9
119.05023	2.6
121.02939	38.6
121.06564	3.3
122.03290	2.1
123.04504	12.5
125.02465	5.4
127.03998	13.2
131.03490	6.3
132.02197	4.0
133.02914	2.0
134.03725	100.0
135.04384	4.2
137.02466	4.7
137.06050	1.4
139.00343	11.3
139.03975	3.0
143.03468	1.4
147.04459	2.6
149.02426	3.4
149.04521	16.5
149.06036	10.1
150.04887	0.8
153.01904	1.4
157.70258	0.7
159.04491	1.6
160.01634	19.2
161.02422	5.3
161.04533	1.3
163.04008	1.6
165.05499	6.5
173.04506	2.8
175.03979	23.6
176.04512	1.1
177.01793	0.7
177.05501	1.1
178.02675	5.0
179.03461	2.9
179.07057	2.1
181.05045	2.1
186.13527	0.8
186.22342	0.9
191.03610	1.6
191.05547	5.7
191.07076	1.7
193.05031	97.4
194.05354	5.5
206.05911	1.8
206.76222	1.0
207.06548	1.0
209.04533	1.0
221.06345	1.5
221.08395	4.8
223.06076	7.9
233.06619	2.9
235.06062	9.7
251.07732	2.1
265.07114	20.7
266.07431	1.9
293.08670	3.7
311.09732	3.4
325.09235	25.9
326.09531	2.0
367.10266	19.1
397.11346	15.0
398.11667	2.1
415.12421	2.4
427.12418	15.3
428.12756	3.0
447.11398	5.4
469.13181	4.7
485.13025	1.8
487.14023	1.4
494.75122	0.9
503.14056	4.0
504.14371	1.1
517.15344	3.4
535.16577	66.0
536.16943	10.1
539.17413	1.0
549.17010	1.3
635.19757	1.0
679.18707	9.2
711.20905	16.9
712.21399	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61926	0.5
59.01371	4.6
60.72046	0.4
61.52817	0.5
63.05814	0.5
67.01890	0.8
68.99837	0.5
69.03465	0.8
71.01376	5.6
73.02938	1.3
82.91840	0.4
83.01397	0.7
83.54778	0.4
85.02947	1.6
89.02439	3.5
89.03975	0.6
93.03455	1.0
95.05020	1.4
98.19862	1.8
99.00887	1.0
101.02420	3.9
105.03462	0.9
107.05017	0.5
109.02954	1.8
111.00895	1.1
113.02445	1.8
113.99596	0.9
114.96600	0.4
116.42667	0.4
117.03469	2.1
119.03493	0.8
119.05036	1.3
121.02937	4.5
122.03631	0.5
123.04494	1.6
125.02444	0.7
127.04046	0.9
132.02148	4.5
133.02940	41.8
133.06474	0.6
134.03740	12.2
135.04514	34.6
136.01651	5.6
136.04860	1.6
137.02434	4.7
139.00388	1.1
139.04039	1.2
145.02927	0.8
146.03711	0.6
147.04501	1.2
148.05289	0.6
149.02423	0.8
149.04692	0.7
149.06070	3.2
151.00342	2.5
151.03983	5.4
151.80548	0.5
153.05592	0.5
159.04482	4.2
160.01625	5.0
160.05229	1.5
161.02420	100.0
161.13332	0.8
162.02748	4.9
163.04025	0.8
165.05551	0.8
166.02689	7.2
174.01648	1.0
175.03963	7.9
176.04662	2.3
177.01984	1.1
177.05580	4.2
178.02646	0.8
179.03468	18.0
180.03818	1.4
181.05049	4.6
187.03993	0.6
187.11235	1.1
188.04901	0.7
189.05527	0.5
191.03506	0.9
191.05559	0.7
191.07135	1.2
193.05035	11.0
194.05463	0.8
203.03433	1.8
204.04243	0.9
205.04988	0.8
206.05751	0.6
220.03702	0.8
221.04518	2.9
221.08102	1.1
223.06300	0.8
235.05977	1.1
251.05330	0.5
255.19728	0.4
265.07092	2.0
271.67743	0.5
280.05673	0.8
295.08029	0.5
299.11432	0.8
309.07501	0.7
310.08389	0.4
323.07657	22.5
324.07870	1.8
325.09204	2.1
337.09094	1.7
342.11084	1.0
343.11652	2.1
354.74686	0.5
355.10272	3.1
357.09509	0.7
357.13382	1.1
358.10257	0.7
364.63696	0.5
367.10257	1.3
373.12808	4.0
374.13281	0.7
387.14230	0.5
397.11023	1.0
427.12277	1.5
485.12848	0.5
494.71179	0.6
526.44397	0.4
531.16003	3.0
531.23193	0.6
532.16431	0.9
535.09424	0.6
535.16608	6.2
536.16364	0.6
644.14795	0.5
681.21588	0.5
710.30200	1.3
711.22479	68.1
712.22906	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	711.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
57.03411	1.9
58.00581	4.3
59.01371	89.3
60.01711	1.4
61.98821	1.4
68.99799	1.8
70.61319	2.9
71.01374	53.9
72.01701	1.5
72.99286	3.9
73.02949	1.9
83.01369	3.0
85.02939	12.5
87.00854	1.9
89.02432	56.7
91.86616	1.3
92.85493	1.0
93.03442	1.4
95.01363	3.8
95.05025	2.5
99.04523	1.1
101.02426	30.5
102.23666	0.9
107.04980	1.5
113.02436	21.1
115.53608	1.1
119.03493	21.5
119.05003	20.3
120.03905	1.3
120.05809	1.5
131.03517	2.2
133.02945	4.0
135.04512	6.6
137.06070	3.7
141.18130	1.1
143.03461	4.0
149.04521	1.6
157.06541	2.4
159.11777	2.4
161.02443	7.7
161.04459	2.0
161.09714	1.5
161.13336	22.3
162.13748	2.3
169.10216	1.6
178.92206	1.1
179.03500	3.8
179.05617	7.5
185.09663	2.7
187.11244	55.6
188.11583	4.1
203.14520	1.6
205.12326	24.8
229.12308	2.9
231.10283	3.9
247.13345	2.3
249.11255	2.7
281.10272	2.5
299.11307	42.9
300.11627	3.1
384.24109	1.2
487.23297	23.4
488.23831	3.0
529.20569	1.2
531.22278	100.0
532.22626	18.3
549.23169	2.4
664.79218	1.2
711.28638	53.9
712.29181	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	711.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69826	1.3
57.03440	2.0
57.63895	1.2
58.00581	5.1
59.01373	100.0
60.01736	1.1
61.98835	10.9
63.34595	1.1
64.67999	1.2
64.87389	1.3
69.06047	1.4
69.28501	2.3
69.28838	12.1
71.01376	61.8
72.99300	5.3
73.02929	1.4
81.75169	1.2
83.01376	3.2
85.02933	14.8
87.00875	4.6
89.02434	66.7
93.03440	1.9
95.01380	4.2
95.05046	2.3
96.95984	7.2
99.00880	1.4
101.02432	36.3
105.84082	1.4
107.05012	4.7
111.04485	1.5
113.02434	27.1
115.03999	1.4
119.03512	21.1
119.04997	29.8
121.02917	1.8
131.03476	2.8
131.50981	1.2
133.02939	6.5
134.03702	4.2
135.04529	15.1
136.01669	1.5
137.02432	24.6
137.06081	4.8
139.03958	1.6
143.03493	2.9
145.02940	1.7
149.02461	2.2
149.04532	1.5
150.03145	1.9
157.06592	2.5
159.04466	6.7
159.11797	3.6
160.05331	3.1
161.02429	18.4
161.04533	3.0
161.05937	1.4
161.13335	32.5
162.13667	3.3
163.03993	3.9
169.10208	1.5
172.08884	3.2
173.04544	3.2
175.03934	2.3
179.03506	10.4
179.05554	9.3
185.09740	1.7
185.13368	1.7
187.11261	75.4
188.11612	5.7
191.05525	2.7
193.05051	5.3
203.14397	2.1
205.12311	31.6
206.12778	2.6
215.03487	3.5
229.12283	4.8
231.10211	3.7
247.13295	2.7
247.66830	1.5
281.10284	3.6
299.07861	3.0
299.11301	64.0
300.11725	5.3
303.96387	1.2
411.16754	2.7
417.09909	3.3
447.14374	11.0
487.23367	45.3
488.23737	8.2
499.14117	2.2
501.57303	1.5
503.33719	5.1
519.16425	4.0
531.16449	5.5
531.22449	92.1
532.15778	2.3
532.22711	16.0
549.17755	3.5
711.28748	59.3
712.29980	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	711.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95066	0.3
59.01368	5.0
61.98826	2.4
71.01380	4.1
72.99297	0.4
73.02946	1.0
81.03435	0.3
82.13642	0.3
85.02941	1.6
86.30525	0.3
87.00877	0.5
88.98824	0.4
89.02444	2.0
89.03970	0.6
91.05540	0.7
93.03518	0.4
95.01385	0.4
96.95991	0.5
98.20610	0.9
99.00855	0.8
101.02428	2.4
106.04269	0.5
107.05019	2.8
113.02450	1.0
116.92851	0.4
117.03447	2.0
119.05013	0.4
123.04499	0.4
125.02493	0.3
132.02138	0.8
132.33185	0.3
133.01906	0.4
133.02942	16.7
134.03743	11.4
135.04510	100.0
136.04842	5.0
137.02374	0.5
147.04596	0.3
149.02411	0.7
149.06041	0.6
151.03955	0.6
160.01653	0.4
160.05266	0.4
161.02422	43.1
162.02713	1.8
163.04005	0.9
163.06090	0.3
164.04727	0.4
169.87091	0.3
175.03951	0.5
175.07545	0.7
178.02695	0.7
179.03474	50.0
180.03865	2.8
185.36157	0.3
193.05025	5.9
195.06599	0.6
211.48344	0.3
223.06149	0.6
238.22838	0.3
266.13791	0.3
305.14191	0.3
325.10797	0.5
426.18954	0.5
508.18124	0.4
530.20209	0.5
549.17493	2.1
550.17755	0.5
607.37012	0.5
625.38361	0.7
675.28973	0.5
711.32202	70.4
712.32684	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	711.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82806	0.4
53.36619	0.3
55.01870	0.3
57.03444	0.4
59.01371	2.5
61.98837	1.5
66.58452	0.3
67.01842	0.3
68.37143	0.3
69.24240	3.0
71.01382	3.1
73.02935	1.1
83.01933	0.3
85.02952	1.2
89.02449	1.5
91.05528	0.8
93.03426	0.5
95.05010	0.5
97.02912	0.4
98.19902	0.5
99.00865	0.9
101.02431	1.7
104.02652	0.3
105.03452	0.4
107.05045	1.5
109.02963	0.8
113.02440	1.1
117.03456	1.5
119.03452	0.3
123.04520	0.4
132.02161	2.0
132.03004	0.3
133.02939	17.7
134.03737	8.2
135.04506	100.0
136.01624	0.6
136.04834	4.7
137.02411	0.8
149.02420	0.8
149.06119	0.4
151.03984	0.6
159.04457	0.7
160.01627	3.0
161.02420	45.2
162.02751	2.5
173.04512	0.6
175.03954	3.1
179.03467	50.8
180.03819	3.2
181.05061	0.8
191.05530	0.4
193.05048	1.2
223.06187	0.4
289.43030	0.3
291.06689	0.6
303.95212	0.3
337.09280	3.3
338.09729	0.5
347.06079	0.3
471.10919	0.4
520.31970	0.3
531.16547	0.8
593.97906	0.4
711.32269	69.8
712.20319	0.7
712.32635	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	711.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69960	0.2
55.01857	0.2
59.01368	5.7
61.98812	0.6
62.62621	0.2
65.33449	0.2
69.50471	1.5
69.63766	0.2
71.01375	3.2
72.99265	0.2
73.02939	1.1
74.66478	0.2
83.01368	0.6
85.02941	1.1
89.02431	2.6
93.79604	0.2
95.01355	0.3
96.96006	0.4
97.53493	0.2
101.02425	6.5
104.43201	0.2
113.02434	3.0
119.02634	0.4
119.03486	6.3
125.02436	0.3
135.04474	0.2
143.03482	0.9
159.09378	0.2
161.02510	0.3
161.04529	4.1
163.11183	0.2
199.68202	0.2
202.92078	0.2
301.21664	100.0
302.21997	11.8
302.25482	0.6
315.23328	0.8
316.23642	0.2
343.22864	0.3
373.23776	0.5
385.23734	0.3
445.25842	0.2
463.26910	0.6
487.34167	0.3
505.28040	3.6
506.28583	0.6
547.28918	0.4
625.32477	0.4
667.33234	7.1
668.33685	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	711.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	13.1
61.98825	18.2
62.24265	1.8
71.01374	5.6
73.02935	2.2
85.02951	5.1
87.00890	4.1
89.02439	6.7
96.96021	6.3
101.02453	7.1
113.02470	4.7
117.03451	18.1
119.05000	17.0
121.02946	68.7
125.02464	3.9
135.04495	3.2
143.03401	2.3
145.02934	81.0
146.03268	2.5
163.03993	8.1
181.05028	12.3
181.94952	2.1
235.08124	4.3
253.09302	2.7
277.21695	26.4
278.22131	3.4
397.13443	40.5
415.14438	22.4
416.14813	3.1
469.32974	3.5
486.86304	2.4
487.34015	4.8
513.32220	2.7
629.34174	11.1
630.35071	2.3
633.37897	100.0
634.38373	20.5
649.36938	2.5
651.39166	10.8
675.35681	2.8
711.33832	37.7
712.33838	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	711.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53063	1.0
53.96549	1.2
57.03429	1.5
58.00574	3.0
59.01373	100.0
60.01712	1.4
62.74622	1.1
64.83356	0.9
69.03448	4.5
69.26662	6.4
69.27087	4.1
71.01373	61.3
72.99296	3.7
73.02943	2.6
78.33235	1.1
83.01385	1.5
85.02943	83.9
86.03291	1.1
87.00870	4.1
89.02433	87.1
90.02766	2.0
95.01413	5.2
98.20686	2.0
101.02430	31.8
107.28844	1.1
113.02441	25.2
119.03487	35.7
119.04889	1.5
121.10181	6.5
131.03497	3.2
133.02898	1.6
135.04494	4.0
139.11298	2.0
143.03496	9.0
145.02957	5.3
149.04553	3.3
161.02489	5.2
161.04544	11.9
163.03963	1.2
179.03526	5.1
179.05586	61.9
180.05969	1.8
183.08597	2.5
183.10240	48.3
184.10513	2.8
192.50153	1.0
198.76271	1.1
282.95212	1.1
325.09283	2.1
360.50879	1.0
363.16556	72.0
364.16788	7.8
451.42700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.9
58.00580	3.2
59.01373	100.0
60.01710	1.0
69.03449	3.9
69.24284	0.8
71.01375	64.1
71.60780	1.5
72.99297	4.7
73.02917	1.2
74.83901	0.8
83.01378	2.8
85.02941	89.1
86.03312	1.2
87.00879	4.6
89.02431	92.7
90.02792	1.8
95.01391	4.4
101.02430	31.0
111.00883	1.4
113.02436	28.5
114.02766	0.9
119.03484	34.1
120.03767	1.1
121.10191	6.6
125.02467	1.7
129.01871	0.8
131.03458	4.6
133.02922	3.1
135.04492	3.1
137.02420	0.9
139.11241	2.3
143.03491	9.9
145.02921	1.9
149.04494	3.3
161.02470	5.7
161.04532	12.8
163.04097	1.2
179.03535	3.0
179.05580	64.0
180.05946	2.6
183.10231	53.9
184.10635	4.2
196.16805	0.8
325.09164	0.9
344.94891	0.9
363.16556	76.5
364.16937	6.5
589.56415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28199	0.6
55.01879	0.9
57.03424	2.2
58.00583	1.1
59.01369	20.5
61.98827	7.6
69.03439	0.9
71.01371	33.1
71.61610	1.0
71.61967	0.7
72.99306	1.7
73.02953	9.6
75.00858	1.3
81.03434	0.8
83.01373	5.6
85.02939	15.0
87.00871	3.6
87.11706	0.8
88.33149	0.8
89.02438	13.0
93.03440	0.8
95.01375	2.7
96.95992	2.1
97.02942	1.8
98.14471	0.7
99.00859	4.6
101.02432	29.6
111.00858	1.2
113.02442	12.5
119.03465	2.2
125.02458	5.1
129.01949	1.1
131.03488	1.3
133.02956	4.4
135.04514	9.3
137.06039	1.1
143.03462	2.0
159.02966	3.0
161.02464	8.8
161.04518	10.4
162.02753	1.1
179.03444	4.5
179.05579	0.8
180.98241	0.8
181.61913	0.8
206.08810	0.7
221.06578	1.3
271.07150	0.7
316.27515	0.7
357.22757	12.1
358.23251	1.4
385.59482	0.8
489.26913	9.0
489.34106	1.2
490.27350	1.5
519.28131	8.7
538.93329	0.9
607.36603	2.0
625.37720	1.8
651.32227	100.0
652.32581	19.0
711.32477	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	712.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15861	0.4
56.29731	0.4
59.01364	0.7
61.98822	100.0
71.61919	0.4
73.32671	0.3
78.95890	0.5
96.96005	0.8
109.27803	0.3
110.03754	0.4
111.95748	0.3
122.33972	0.3
133.02954	3.7
133.93860	0.3
134.03737	0.5
134.65022	0.4
135.04471	0.9
161.02419	10.7
162.02840	1.0
179.03493	1.0
201.42787	0.3
212.63350	0.4
219.78754	0.3
254.36778	0.4
261.13901	0.3
266.77640	0.3
273.07138	0.3
351.48682	0.4
490.93567	0.3
593.27399	0.6
649.37323	19.7
650.37659	5.6
656.61157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52741	0.1
59.01378	0.2
61.98825	100.0
79.65976	0.1
95.59251	0.2
95.59863	0.2
96.96027	0.7
111.88914	0.1
115.56343	0.1
116.47050	0.2
116.67439	0.2
133.01967	0.2
133.02943	3.9
133.03987	0.2
134.03751	0.3
135.04529	1.0
137.02437	0.4
161.02435	10.2
162.02771	0.4
179.03595	0.3
217.33302	0.1
270.65601	0.2
271.24915	0.1
531.71387	0.2
605.38531	0.3
620.41357	0.2
631.36322	0.4
649.37360	21.4
650.37683	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	712.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.1
60.01701	0.2
61.98822	100.0
62.98527	0.2
70.89059	0.3
71.01391	0.4
72.10805	0.1
76.14631	0.1
77.15041	0.2
85.02933	0.2
89.02430	0.2
89.32732	0.1
93.03476	0.2
96.96004	0.3
97.72564	0.1
101.02457	0.4
108.92114	0.1
119.04990	0.6
121.02946	0.5
133.02988	0.2
134.03752	0.6
135.00883	0.2
135.04514	0.9
136.04858	0.1
137.02428	0.2
139.00339	0.1
139.87480	0.1
145.02965	0.2
153.01903	0.2
161.02431	0.5
161.05855	0.2
163.03969	0.7
164.04568	0.1
179.03506	0.5
180.03856	0.1
182.02223	0.2
193.05025	0.5
197.04512	0.2
200.71761	0.1
226.95915	0.1
232.13863	0.1
341.08777	0.4
356.12646	0.4
371.14594	0.2
464.15826	0.1
487.34070	0.7
488.34543	2.0
489.34833	2.3
490.35165	2.5
652.27893	0.2
677.31763	0.3
712.28302	0.7
713.23584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.1
60.01701	0.2
61.98822	100.0
62.98527	0.2
70.89059	0.3
71.01391	0.4
72.10805	0.1
76.14631	0.1
77.15041	0.2
85.02933	0.2
89.02430	0.2
89.32732	0.1
93.03476	0.2
96.96004	0.3
97.72564	0.1
101.02457	0.4
108.92114	0.1
119.04990	0.6
121.02946	0.5
133.02988	0.2
134.03752	0.6
135.00883	0.2
135.04514	0.9
136.04858	0.1
137.02428	0.2
139.00339	0.1
139.87480	0.1
145.02965	0.2
153.01903	0.2
161.02431	0.5
161.05855	0.2
163.03969	0.7
164.04568	0.1
179.03506	0.5
180.03856	0.1
182.02223	0.2
193.05025	0.5
197.04512	0.2
200.71761	0.1
226.95915	0.1
232.13863	0.1
341.08777	0.4
356.12646	0.4
371.14594	0.2
464.15826	0.1
487.34070	0.7
488.34543	2.0
489.34833	2.3
490.35165	2.5
652.27893	0.2
677.31763	0.3
712.28302	0.7
713.23584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.98822	100.0
69.03453	0.4
71.01382	1.0
71.62846	0.2
72.99342	0.1
73.02939	0.3
75.28056	0.1
81.72073	0.1
85.02945	0.4
88.98797	0.2
89.02444	0.5
89.03963	0.3
93.03455	0.7
95.01354	0.2
96.96014	0.6
97.02936	0.7
101.02441	0.5
107.01403	0.3
107.05037	0.2
108.02154	0.8
109.02902	0.2
109.22994	0.1
113.02467	0.5
117.03432	0.9
119.05014	2.2
121.02938	1.5
123.04581	0.3
125.02444	0.6
132.02174	0.5
133.02994	0.5
134.03723	11.0
135.00905	0.8
135.04468	0.7
135.08176	0.2
136.01643	0.2
137.02422	1.2
139.04002	0.2
145.02975	0.7
146.03354	0.1
147.04521	0.4
147.08163	0.1
149.02475	0.2
149.06078	1.3
151.00314	0.1
151.04013	0.3
152.01140	1.2
153.09184	0.7
160.01613	1.3
161.02411	0.5
161.04672	0.2
161.06018	0.2
163.03986	3.7
164.04460	0.5
175.03989	2.2
176.04631	0.2
177.09203	0.2
178.02647	1.3
179.03534	0.2
179.07166	0.3
190.06332	0.2
193.05025	15.0
194.05434	0.4
197.08163	0.4
203.07213	0.3
219.10104	0.2
221.08269	0.3
223.06111	0.3
243.06544	2.1
263.09311	0.6
275.07736	0.3
327.12424	0.1
341.12567	0.4
356.12549	1.9
356.16348	0.2
367.10483	0.2
371.14917	2.2
411.09167	0.2
439.62799	0.1
469.13217	0.8
490.32727	0.2
519.15161	0.3
519.77917	0.2
525.57391	0.1
535.19769	0.3
605.15137	0.3
608.37775	0.2
651.39746	0.3
652.40387	1.7
653.41559	0.4
675.30414	0.7
676.30750	0.9
677.31866	1.3
683.25323	0.6
713.29584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.8
60.46253	0.6
60.99302	22.7
61.98826	2.8
69.46867	6.0
71.01369	3.7
85.02956	4.4
88.98800	100.0
89.02435	2.9
89.99125	1.5
93.03471	1.4
95.01391	1.8
113.02425	9.2
123.04528	1.3
132.02203	1.3
133.02946	23.4
135.04529	16.5
137.02370	1.8
147.04588	0.8
161.02438	88.4
162.02831	4.1
167.14027	0.8
179.03491	8.2
193.05087	1.0
276.45789	0.7
315.10815	1.4
461.16498	4.6
471.97372	0.9
586.52228	0.8
623.19769	79.1
624.20197	13.7
651.19293	2.9
713.21051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01378	4.7
60.99301	5.0
61.98820	1.6
71.01376	6.4
83.01450	0.7
85.02951	6.5
88.98795	17.7
89.02436	2.9
93.03450	0.7
95.01379	2.4
101.02448	1.1
113.02434	14.5
117.03457	0.9
117.63195	0.6
121.02913	0.7
123.04494	1.6
130.45749	0.6
132.02180	1.2
133.02940	29.9
134.03725	1.8
135.04512	17.9
135.05354	0.4
136.04843	0.6
137.02342	0.6
153.05597	0.8
160.01683	0.8
161.02423	100.0
162.02780	4.3
173.04567	1.1
179.03461	7.0
191.05569	0.9
193.04982	2.0
206.07895	0.6
270.60303	0.5
315.10721	1.6
335.08191	0.6
347.39267	0.7
366.64575	0.6
461.16522	5.0
623.19708	84.1
624.20081	17.7
651.19507	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	713.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52281	0.5
59.01362	2.3
62.97885	0.5
67.66901	0.5
69.03484	0.6
71.01371	14.4
71.61370	0.8
85.02891	0.7
87.00874	0.9
89.02430	1.8
89.03939	1.0
91.38433	0.5
91.83312	0.5
93.03449	1.0
93.55204	0.4
95.04984	3.1
96.95995	2.2
98.18407	0.5
101.02424	1.2
106.33762	0.5
111.00835	1.4
113.02423	0.6
115.00364	5.4
117.03467	4.4
119.03518	0.8
119.04946	0.8
121.02938	0.9
122.95087	0.6
126.05588	1.2
126.85924	0.6
133.02910	1.2
134.03717	50.0
135.04445	2.9
137.02414	1.8
144.22937	0.5
149.02399	0.5
149.06064	5.4
150.03224	1.1
150.06458	0.6
152.07146	0.8
153.01907	1.0
155.03438	0.6
160.01649	1.3
161.02429	1.0
165.05521	1.5
173.04594	0.9
175.03986	1.8
178.02701	5.1
179.03416	1.2
179.05722	0.8
183.10249	0.9
188.73163	0.5
191.05565	1.6
193.05022	100.0
194.05348	6.1
195.06534	0.9
267.06540	0.7
309.06064	3.0
309.09393	0.8
310.09335	2.2
337.09302	0.9
354.09256	0.6
389.12607	0.8
507.18808	0.7
566.70288	0.6
713.22046	3.2
716.76404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
59.01369	1.9
61.98822	18.1
65.00315	0.8
69.03434	0.4
70.52262	0.8
71.01367	1.8
72.99306	0.5
73.02946	0.3
79.48906	0.3
80.02682	0.5
80.92602	0.2
81.03455	0.5
83.01393	0.4
85.02937	0.8
87.00903	0.3
87.04459	0.3
88.28837	0.2
88.98808	1.1
89.02437	0.8
89.03960	0.8
91.01882	17.3
92.02246	0.3
93.03470	0.6
95.01370	1.3
96.96003	0.8
97.02953	1.0
101.02449	1.1
101.86836	0.2
107.05016	1.0
108.02160	20.1
109.02966	5.7
110.06102	0.3
111.04562	0.2
113.02440	1.0
117.03454	2.5
118.03796	0.3
119.05005	2.6
121.02946	4.0
123.00869	6.4
123.04509	0.7
124.01687	0.5
125.02393	0.7
132.02179	1.9
133.02945	0.5
134.03728	35.5
135.00870	16.9
135.03960	1.4
135.08147	1.1
136.01273	0.6
137.02434	4.0
145.02928	0.9
147.04547	0.5
149.02403	0.4
149.06056	4.0
151.04007	0.4
152.01137	19.2
153.01930	1.3
153.09207	1.3
160.01637	7.2
161.02315	0.6
161.04588	0.5
161.06055	0.9
163.03983	4.4
164.04358	0.3
169.06477	0.3
175.03973	7.9
175.07581	0.3
176.04359	0.4
177.09061	0.4
178.02672	1.3
179.03438	0.5
179.07085	0.7
193.05035	44.2
194.05408	2.7
197.06076	1.7
197.08177	1.0
199.07639	0.6
203.07133	0.5
213.05568	1.1
215.07018	1.0
217.66542	0.3
219.10335	0.4
221.08199	1.0
225.05429	0.4
235.06087	1.2
239.09190	0.8
241.04912	0.4
243.06584	100.0
244.04485	0.5
244.06929	6.9
263.09296	1.5
285.07553	0.7
325.09219	0.4
328.21579	0.3
341.12396	1.0
356.12518	4.1
357.13190	0.5
367.10248	1.2
371.14966	4.3
372.15262	0.3
455.11911	0.5
469.13431	21.2
470.13785	2.9
519.14990	15.2
520.15204	2.3
537.16260	1.4
538.16162	0.4
605.15033	1.2
652.40002	0.4
653.40912	1.4
675.30341	0.6
677.31958	1.5
678.30664	0.3
713.19836	7.7
714.19922	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	713.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47815	0.8
59.01383	6.8
59.11235	0.7
61.98819	2.7
71.01366	3.9
71.08471	1.0
80.79092	0.8
85.02941	3.3
89.02427	2.5
89.92164	0.8
93.03461	2.2
95.01390	0.8
96.96021	0.9
98.20584	1.4
101.02440	5.4
108.02161	1.6
109.02903	1.5
111.00869	2.6
113.02413	2.2
117.03441	1.1
119.04999	3.7
121.02924	5.1
122.03749	8.8
123.04488	1.9
123.19732	0.8
124.01656	1.8
127.03991	1.3
127.06507	0.8
132.02161	15.0
133.02985	4.8
134.03737	27.6
135.04550	7.0
136.01649	2.0
137.02437	2.6
137.06087	1.6
139.03967	1.7
145.02931	2.2
146.03729	40.3
147.04527	4.7
149.04549	1.0
149.06039	5.8
150.03191	1.9
151.03992	1.3
151.07597	1.6
153.01897	1.3
154.02652	1.7
160.01645	81.3
161.02301	5.2
161.06061	11.4
162.03221	0.7
163.03990	4.4
164.04790	27.7
165.05550	5.9
174.03278	1.1
175.03981	100.0
176.04703	9.9
177.01830	1.4
177.05453	1.5
178.02606	1.6
179.03636	4.6
179.07115	36.8
180.04271	13.9
180.07462	1.9
187.11244	0.9
191.07095	10.6
192.04251	4.2
193.05031	27.2
194.05484	1.2
195.06625	16.1
202.02652	1.1
207.06540	6.7
217.04990	2.0
235.06149	4.0
248.69489	0.9
270.04974	0.8
277.07053	0.9
278.06311	0.8
291.08633	5.1
295.08176	1.9
317.10205	1.4
327.12350	3.5
337.09253	85.7
338.09479	7.4
359.11383	1.2
375.14423	6.0
380.86145	0.8
412.79373	0.8
419.13144	1.3
475.15729	1.3
533.16577	88.8
534.16809	14.3
587.60168	0.8
640.66754	0.8
641.20923	0.9
665.22620	1.7
683.23419	5.7
684.23865	1.7
713.24078	16.7
714.24951	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	713.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64720	0.4
57.03436	0.6
59.01373	3.9
59.69867	0.4
61.98510	0.7
61.98822	9.5
71.01366	2.3
71.62742	0.4
72.99337	0.7
73.02927	0.9
75.00870	1.7
85.02942	1.3
88.98789	0.6
89.02453	1.5
89.03951	1.5
93.03453	0.4
96.95986	1.3
99.00902	1.0
101.02428	1.2
112.67332	0.4
117.03444	6.5
119.03494	0.4
119.05029	5.2
121.02876	0.8
125.02414	0.9
132.02138	2.7
133.02911	1.5
134.03726	89.1
135.04591	4.5
136.01682	0.4
136.04861	0.7
137.02463	1.0
145.02937	1.9
149.02454	0.4
149.06067	7.7
150.03175	0.5
151.04001	0.5
160.01639	10.1
160.02982	0.5
161.02470	3.4
162.02762	0.5
163.03972	7.5
164.04628	0.4
165.05504	0.6
175.03984	10.0
177.05605	0.5
178.02696	0.9
179.03458	3.6
180.03818	0.7
193.05026	100.0
194.05347	5.5
195.06732	0.4
207.06544	1.0
236.22633	0.3
258.64560	0.4
265.07007	0.9
304.91058	0.4
325.09174	1.5
337.09140	1.2
356.25293	0.4
367.10184	1.1
397.11319	1.2
427.12189	1.6
637.37781	0.5
675.29230	0.5
677.28052	35.2
678.28333	6.2
713.23596	1.1
713.34271	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	713.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65886	0.3
57.03439	0.6
59.01381	1.7
60.99300	0.7
61.74430	0.3
67.01881	5.2
68.03345	0.3
69.03448	0.6
70.44736	1.1
71.01372	3.5
72.72884	0.4
81.03446	0.7
83.05023	0.7
85.02942	1.4
87.00857	1.4
87.54034	0.3
89.24227	0.3
93.03447	27.7
94.03779	1.0
96.96024	0.5
99.04506	16.4
100.04852	0.7
109.02908	0.9
111.00859	1.2
111.04507	4.9
113.02438	0.5
119.05015	5.0
120.05269	0.4
127.03989	0.4
129.01920	0.4
137.02420	4.4
146.85558	0.3
155.03488	4.1
163.03995	3.8
173.04526	100.0
174.04860	4.6
174.22066	0.4
191.05592	7.6
193.05069	0.5
201.11328	2.2
241.73633	0.3
273.09711	0.4
337.05228	0.6
337.09222	9.2
338.09555	1.3
373.66367	0.3
375.16541	46.4
376.16901	4.8
638.29279	0.4
659.33459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
57.03444	1.0
58.00571	3.0
59.01374	40.6
66.10307	0.7
68.99786	0.8
69.03428	0.9
69.87436	3.4
71.00992	1.2
71.01375	20.9
72.99284	2.5
75.00845	0.8
79.05510	0.6
80.02656	2.1
83.01366	1.0
85.02461	0.8
85.02927	5.4
87.00853	1.7
87.04491	1.3
89.01905	1.3
89.02433	17.9
95.01358	1.5
98.20675	0.8
99.04517	11.9
101.02424	14.3
107.05003	1.5
107.08662	3.3
110.38586	0.7
111.00824	0.8
113.02441	10.5
119.03498	6.2
119.04992	6.6
120.05820	1.0
121.06549	2.3
127.04008	0.8
131.03459	4.7
135.04463	1.1
135.08174	1.6
137.06097	1.3
138.84645	0.6
139.00372	1.1
151.07596	0.7
161.02449	1.2
161.04601	0.8
171.11780	1.3
179.05585	1.3
189.11101	1.4
189.12825	28.2
190.13165	2.2
207.13869	2.9
231.13745	1.2
233.11807	1.5
251.12886	4.7
291.08710	2.4
299.11472	3.2
315.07211	0.8
361.12912	1.6
503.84167	0.7
533.23822	100.0
534.24213	17.0
571.75952	0.8
713.30200	38.5
714.30664	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	713.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
56.17884	0.6
57.03426	0.7
58.00583	2.2
59.01371	42.7
60.01668	0.7
68.99805	0.9
69.03440	0.6
71.01373	21.6
71.61149	0.8
72.01702	0.8
72.99302	3.5
73.02938	0.7
75.00896	0.9
80.02661	2.6
83.01373	1.4
85.02934	5.7
87.00860	2.0
87.04489	1.9
89.02437	21.7
90.39497	0.6
95.01391	2.0
95.05000	1.3
99.04505	13.2
101.02429	14.1
107.05003	1.6
107.08640	3.3
111.00873	0.8
113.02423	9.6
119.03516	8.0
119.05011	8.2
120.05824	0.8
121.06594	3.6
127.04005	0.6
131.03493	3.6
135.04489	0.9
135.08133	1.7
137.06044	1.0
147.08130	0.6
161.02464	1.3
161.04506	1.4
171.11710	0.7
179.05554	1.0
189.12827	27.9
190.13116	2.1
207.13849	4.5
231.13841	1.7
233.11752	1.7
251.12767	4.0
291.08539	2.9
299.11301	2.1
361.12631	1.0
362.14093	0.6
370.18063	0.5
413.18073	1.8
434.76596	0.7
521.54004	0.6
533.23846	100.0
534.24170	17.0
713.30194	38.8
714.30499	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	713.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01369	5.5
64.43490	0.6
67.01884	5.2
67.09403	0.6
69.03406	0.8
71.01370	6.3
71.60525	0.9
73.02940	1.2
81.03454	1.3
83.05019	2.7
85.02953	1.8
87.00871	1.3
89.02455	1.7
93.03447	27.0
94.03774	1.2
101.02429	1.8
109.02946	0.7
109.06569	0.9
111.00883	0.9
111.04525	5.0
111.08148	17.1
113.02423	1.2
113.98930	0.6
119.05021	2.0
129.09183	1.2
135.04495	2.8
136.04779	0.7
137.02425	6.5
137.72188	0.7
149.02402	1.2
150.03206	0.7
155.03511	5.3
161.02391	1.3
163.04008	4.7
173.04523	100.0
173.08147	27.2
174.04858	5.7
174.08490	1.1
179.03491	1.7
184.46840	0.8
191.05565	7.2
192.06102	0.7
192.37553	0.5
196.28204	0.7
199.09712	0.8
203.12851	0.7
325.09149	1.8
335.07745	0.8
347.13406	69.8
348.13754	6.8
349.14951	1.4
357.11865	1.7
365.18082	11.7
366.18210	1.5
367.10229	1.7
368.10550	1.0
387.16537	2.2
425.46417	0.7
498.82611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.3
59.44554	0.7
61.98824	8.5
63.10704	0.6
71.01367	6.8
73.02947	2.2
73.13770	0.7
77.66378	0.7
81.14722	0.7
85.02931	2.0
87.95956	0.7
88.98795	2.8
89.02432	2.6
89.03970	1.9
93.03458	1.2
96.96016	3.3
99.00887	1.6
101.02437	4.6
105.03419	0.9
107.05020	2.3
113.02438	1.5
117.03450	7.8
119.05036	0.9
125.02435	1.7
132.02159	2.8
133.02936	17.5
134.03726	100.0
135.04518	94.5
135.05611	1.7
136.04845	5.8
137.02480	0.8
145.02957	1.0
149.02419	2.2
149.04720	1.1
149.06064	7.0
151.03979	1.4
160.01637	10.0
161.02426	40.4
162.02762	2.6
163.03992	1.7
164.04771	2.3
175.03987	10.9
178.02707	1.2
179.03479	47.7
180.03781	2.2
185.78094	0.8
191.07178	1.0
193.05029	77.8
194.05435	4.3
197.04472	1.1
221.08162	2.4
223.06116	2.6
235.06065	3.6
237.93893	0.7
246.87814	0.7
265.07120	12.1
283.05316	0.8
285.04120	1.0
295.08069	0.8
325.09210	15.0
326.09659	1.1
340.85568	0.7
367.10291	11.4
368.10623	1.2
397.11325	15.6
398.11728	1.3
419.26532	1.1
427.12396	18.5
428.12665	2.3
469.13150	0.8
487.14499	3.8
677.28156	6.9
678.28479	1.6
713.33789	63.3
714.22375	1.2
714.34235	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	713.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06755	2.4
53.93961	2.4
56.25835	2.4
58.32141	2.2
59.01372	15.6
61.98826	45.5
63.75309	2.5
71.01384	14.3
71.18776	6.1
83.02559	2.8
85.02943	3.8
87.00829	3.3
89.02420	17.0
96.95988	14.3
97.02930	3.1
99.01395	2.9
101.02418	12.5
110.10619	2.3
113.02423	8.9
116.97234	5.7
119.03483	4.9
125.02450	4.9
128.08961	2.5
130.92091	2.3
161.04509	3.6
179.05576	4.0
193.72600	2.4
235.08128	9.7
245.71724	3.1
255.23384	3.7
267.96658	2.8
279.23236	50.2
280.23550	4.8
397.13443	100.0
398.13849	5.0
407.25150	2.7
415.14465	28.8
443.92041	3.0
577.26910	4.7
677.37421	12.5
713.35229	63.9
714.35095	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	713.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	21.6
60.99294	7.8
61.98819	37.0
69.52472	2.8
71.01376	13.5
71.53402	3.3
71.61393	4.2
78.91874	3.9
78.95886	17.2
81.44637	3.2
83.01376	3.8
85.02905	3.8
87.00874	4.5
88.98790	41.1
89.01939	4.3
89.02418	26.8
96.95976	5.2
96.96928	3.9
97.02943	5.2
101.02430	14.8
110.91934	3.2
113.02409	6.6
119.03520	4.5
121.26438	3.5
125.02438	7.5
152.99535	12.6
179.03473	5.1
179.05560	6.8
235.08186	9.1
277.21658	12.8
279.23251	55.4
280.23749	4.3
384.38745	3.5
397.13419	100.0
398.13889	7.1
415.14490	32.1
593.27484	16.9
594.27667	4.1
677.37262	14.2
678.38391	5.1
713.23718	2.9
713.34973	85.7
714.35431	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35640	0.6
55.01861	0.9
57.03439	1.1
58.00572	1.2
59.01373	27.4
61.98820	5.2
69.03436	1.4
69.36430	5.3
71.01370	24.8
72.99298	2.3
73.02930	5.1
75.00848	1.2
83.01378	2.3
85.02927	5.7
87.00869	6.6
88.26376	0.6
89.02435	22.0
93.22821	0.6
95.01362	1.6
96.95975	0.6
97.02943	4.2
99.00863	1.9
101.02425	20.9
113.02439	9.8
114.02762	0.7
119.03477	7.2
122.32985	0.7
125.02427	7.7
125.53829	0.6
127.04015	0.6
131.03490	1.0
143.03491	2.5
161.04543	4.6
179.05592	3.9
180.22839	0.7
213.84135	0.6
221.06604	1.5
235.08209	9.9
245.06567	0.7
253.09277	1.6
255.23248	70.8
256.23593	5.8
263.07684	0.7
277.21695	4.5
287.07599	3.4
305.08722	3.9
319.22824	1.8
323.09747	1.4
349.23901	1.4
397.13425	100.0
398.13757	9.0
415.14520	29.7
416.14667	1.5
438.01758	0.7
653.37207	5.8
654.37982	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	713.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
57.03444	0.9
58.00578	2.1
59.01372	26.9
61.98820	54.6
64.87525	0.7
69.03423	1.7
70.10428	2.1
71.00983	1.6
71.01371	25.5
72.99284	2.4
73.02940	4.4
74.81924	0.6
75.00854	0.8
78.91843	1.0
80.96879	0.8
81.03436	1.6
83.01376	3.6
85.02930	5.1
87.00858	5.9
89.02431	22.1
95.01383	1.9
96.95988	1.6
97.02932	4.1
99.00854	1.2
101.02431	20.7
102.29962	0.9
111.04472	0.9
113.02424	10.8
119.03465	6.9
119.05002	0.9
121.02924	1.6
123.04482	0.7
125.02425	10.3
131.03487	1.1
133.05020	1.1
137.02425	0.8
139.03987	0.8
143.03502	2.8
145.03004	1.0
152.26971	0.7
161.04543	4.4
161.05783	1.0
171.34192	0.7
179.05560	3.8
198.37395	0.8
221.06567	1.5
235.08192	9.9
253.09183	1.8
255.23254	70.8
256.23593	6.4
256.75714	0.9
265.14896	0.9
277.09174	0.9
287.07718	3.3
296.11325	0.7
305.08725	3.6
323.09753	1.6
379.12509	0.9
397.13428	100.0
398.13785	10.2
415.14487	31.8
416.14847	2.7
568.25488	0.9
577.26422	1.4
616.21057	2.4
653.37323	6.3
654.37476	1.6
697.45172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41846	0.5
59.01350	0.5
60.38678	0.5
69.56444	1.2
69.56853	1.6
74.02454	0.8
91.31322	0.5
98.20599	0.7
104.03537	0.4
104.95184	0.4
109.63887	0.5
128.19426	0.5
133.02963	0.7
135.04521	2.9
161.02400	2.1
179.03461	1.5
225.16025	0.8
296.15027	1.2
299.15103	1.1
308.70120	0.5
319.48306	0.5
327.98431	0.5
356.76007	0.5
381.67252	0.5
623.19788	0.9
677.49963	2.3
713.47260	100.0
714.47595	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	714.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49326	0.6
57.03448	0.7
59.01379	3.3
59.03005	0.6
60.25221	0.5
61.98822	89.5
65.79311	0.5
69.71745	2.7
71.01374	6.2
72.99246	0.6
73.02930	0.8
85.02948	5.1
88.16564	0.5
89.02442	1.6
93.03454	1.6
94.47624	0.5
95.01391	1.7
96.96020	0.7
97.02933	0.6
101.02431	0.6
102.73363	0.5
104.75735	0.5
107.05041	1.2
108.15363	0.7
109.02949	3.7
111.00874	0.6
113.02435	9.0
117.03468	0.9
121.02924	3.6
123.04497	0.9
125.02452	0.7
132.02159	1.0
133.02937	12.1
134.03760	4.9
135.04507	96.2
136.01610	0.7
136.04839	4.4
137.02425	6.2
138.03215	1.0
139.04005	0.7
143.03401	1.1
147.04509	0.9
148.05275	0.6
149.02420	5.7
149.06067	1.3
151.03979	1.2
161.02423	39.1
161.06012	1.8
162.02774	3.0
165.01907	5.7
165.05620	0.7
166.02655	1.8
171.04446	0.6
174.03224	0.7
175.03967	1.7
177.05511	1.6
179.03471	100.0
179.89041	0.5
180.03839	4.8
181.05093	2.7
187.03979	0.7
189.05531	2.2
191.03526	1.4
191.05518	0.7
193.05026	1.4
195.06540	0.6
215.03477	0.7
221.04488	1.0
225.59996	0.7
233.04474	9.8
243.06548	0.9
245.04489	2.0
251.05568	29.4
252.05812	1.7
265.07217	0.7
287.05490	1.9
305.03238	0.7
305.06635	10.3
323.07678	25.3
324.07996	2.3
327.12390	0.7
469.13174	0.6
487.14508	18.2
488.14932	2.8
489.15961	1.6
517.18732	1.1
535.19763	1.0
651.19196	60.6
652.19543	11.9
714.22845	0.8
715.22290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.3
59.01374	43.0
67.01873	1.4
69.03449	50.1
71.01374	14.8
71.43863	1.3
73.02926	1.6
85.02928	4.6
87.00867	1.8
89.02432	14.4
93.03455	4.2
95.05015	11.5
101.02433	9.8
106.04256	1.7
112.79154	1.2
113.02434	8.1
119.03483	6.1
119.05009	2.0
121.02944	5.3
121.05766	2.3
121.06577	23.2
123.04507	4.6
133.02953	2.7
139.00388	3.3
139.07614	2.4
161.04460	1.6
165.05588	10.3
167.03459	4.5
173.04518	1.8
179.05554	2.6
183.06606	3.9
191.05637	12.5
191.77458	1.4
209.04488	5.3
212.59677	1.4
281.10223	4.2
282.10678	1.8
341.12271	1.7
345.11905	11.8
346.12369	1.9
367.10251	3.2
389.10840	100.0
390.11230	8.7
690.91937	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	715.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39039	1.2
56.38169	1.1
57.87458	1.1
59.01374	39.8
67.01917	1.4
69.03447	35.7
71.01375	14.6
80.44895	1.1
85.02943	3.7
87.00861	1.6
89.02431	15.9
93.03439	3.6
95.05005	8.3
101.02436	9.2
105.03453	1.4
106.55252	1.2
111.08089	1.3
112.04341	1.2
113.02470	6.8
114.28848	1.4
119.03517	6.5
119.05068	1.7
121.02950	3.4
121.06580	23.2
122.84834	1.1
123.04510	3.4
133.02930	9.1
134.03752	1.5
137.06003	1.2
139.00380	2.1
139.07623	5.5
163.03894	2.7
165.05486	9.1
173.04414	1.7
177.01843	3.6
179.05608	2.9
183.06583	2.9
191.05531	11.6
209.04449	8.2
345.11807	8.7
367.10184	2.9
389.10843	100.0
390.11182	9.1
414.33948	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	715.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	46.1
64.48659	1.8
65.33761	1.7
65.88822	1.7
66.14746	1.7
69.03446	47.0
71.01374	17.3
71.60485	2.1
71.60860	2.2
73.02940	1.8
85.02955	4.6
87.00876	2.7
89.02428	13.8
93.03460	5.1
94.25182	1.8
95.01360	2.1
95.05006	11.2
101.02428	8.9
101.91495	1.8
106.04267	2.5
113.02431	9.0
119.03490	6.6
119.04991	2.4
120.35985	1.9
121.02930	3.4
121.06574	27.6
123.04519	4.9
133.02922	4.5
139.00392	4.2
139.07614	4.2
151.04015	2.5
165.05530	10.4
167.03468	5.6
173.04504	2.1
177.01938	3.8
183.06572	3.2
191.05589	18.7
209.04488	7.1
258.01031	2.0
281.10178	3.8
341.12283	2.0
345.11853	16.1
354.99350	2.2
367.10181	5.5
389.10843	100.0
390.11255	9.5
484.26709	1.9
551.57001	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	715.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.3
58.61356	0.2
59.01366	1.1
67.01872	0.4
69.78773	1.2
71.01371	0.7
83.05015	0.4
85.02934	6.0
87.00867	1.4
89.67288	0.2
93.03441	3.5
98.45351	0.2
99.04485	0.3
109.02934	0.5
111.04504	1.1
112.99864	0.2
113.69382	0.2
127.03985	1.4
134.03732	1.3
137.02431	0.3
150.48402	0.2
155.03406	0.3
160.01697	0.2
171.02995	0.8
173.04530	2.4
175.04057	0.4
179.03419	0.2
191.05583	100.0
192.05930	4.5
193.05080	1.0
242.57608	0.2
350.53363	0.2
367.10275	19.0
368.10626	1.6
543.96680	0.3
661.46112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52285	0.5
57.03425	3.3
59.01371	83.1
60.01705	1.0
60.25558	0.6
64.61418	0.6
71.01379	2.2
71.05015	1.8
71.62100	0.8
83.05021	1.0
85.02952	0.8
87.00864	1.7
89.02428	1.1
90.47079	0.5
95.04985	0.6
96.95998	1.6
101.02433	1.0
105.07119	0.6
113.02415	2.1
127.03947	0.5
133.02946	2.8
135.04506	4.0
161.02417	6.1
161.09705	1.0
161.13312	2.6
163.11275	1.5
179.03458	3.9
187.11263	0.8
191.05656	0.7
191.49318	0.6
205.12178	0.9
207.10201	2.2
223.13359	100.0
224.13707	8.4
249.11229	0.7
267.12326	54.6
268.12637	5.1
293.78271	0.6
353.79846	0.6
447.22208	1.2
499.01889	0.6
535.23419	0.7
553.22046	0.9
580.97552	0.6
588.90247	0.7
623.19733	0.9
624.20270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55294	3.4
59.01381	17.9
61.98801	13.2
65.33389	3.5
65.79813	4.1
71.01369	14.3
71.16630	6.6
87.00844	4.5
89.02448	14.8
99.00856	3.9
99.79733	3.7
101.02430	9.3
113.02467	5.3
125.02469	5.0
136.54678	3.3
137.32359	3.3
170.33429	3.4
210.28151	3.4
221.06511	3.8
235.08110	10.0
255.23143	21.0
277.21918	4.3
281.24796	46.2
282.25049	6.3
287.07736	4.0
346.26605	3.7
392.17615	4.6
397.13428	100.0
398.13776	8.2
415.14566	35.0
438.01752	3.7
679.39008	11.0
715.36670	72.4
716.36975	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	715.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94452	1.3
59.01371	10.5
61.98824	100.0
69.73795	1.2
69.76879	1.3
70.47254	4.5
71.01374	9.5
73.02943	1.3
85.02930	3.0
87.00869	1.7
89.02438	10.2
101.02443	7.2
113.02437	2.3
119.03498	2.5
119.66740	1.3
125.02415	3.1
147.02657	1.3
155.01622	1.4
168.82018	1.5
235.08136	3.8
255.23251	7.3
256.23688	3.9
257.23880	3.3
281.24817	18.1
282.25070	2.1
397.13437	42.5
398.13809	8.2
399.14240	6.2
415.14673	8.6
416.14688	3.3
679.38934	5.4
680.38751	2.0
715.36560	26.7
716.37347	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	716.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01384	3.8
60.35781	0.7
61.98823	18.2
63.45343	0.8
67.01881	1.7
69.39999	5.7
71.01371	4.6
85.02946	3.1
89.02424	1.7
89.68179	0.8
93.03447	9.0
94.03813	1.3
95.01408	1.2
95.23468	0.9
96.95976	1.5
97.02914	0.9
98.19833	1.4
105.03444	1.1
108.02227	1.0
109.02936	1.0
111.04499	1.3
113.02444	9.7
116.44553	0.7
117.03490	1.0
121.02982	1.8
122.45009	0.8
123.04505	7.9
123.05342	1.2
124.04890	1.1
131.83612	0.7
132.02145	2.5
133.02943	32.1
134.03717	2.4
135.04506	37.2
136.01666	1.0
136.04900	1.8
137.02429	2.7
147.04529	1.3
148.04956	0.9
149.02393	2.9
150.03214	9.8
151.02838	1.3
151.03989	20.6
155.03506	2.0
156.03777	0.9
161.02425	100.0
162.02721	4.7
163.03920	1.6
163.41011	0.7
165.05571	3.7
167.03389	1.3
173.04517	32.2
174.04842	6.5
177.05554	1.3
179.03476	50.1
180.03850	3.9
181.91631	0.9
183.10225	2.8
185.11763	2.8
195.06554	1.8
203.03543	1.1
315.11011	1.2
329.14099	0.9
350.88678	0.8
357.15491	13.0
358.15814	9.0
359.17117	1.3
459.15033	2.2
487.14499	5.3
507.20145	5.1
555.22418	4.8
621.18134	43.5
622.18500	9.8
653.20746	50.6
654.21387	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	716.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18112	0.1
59.01376	0.9
61.98825	100.0
62.98524	0.2
69.23595	0.1
71.01379	0.3
85.02943	0.1
88.04034	0.2
88.98859	0.2
89.02431	0.2
96.95992	1.2
96.96464	0.1
101.02439	0.3
105.79980	0.1
117.03436	0.2
119.05037	0.3
121.02998	0.2
134.03761	1.1
135.04230	0.3
145.02928	0.2
147.04526	0.2
149.02438	1.0
155.08287	0.6
160.01743	0.2
161.02419	0.2
163.04004	0.4
164.04776	1.2
175.03938	0.2
179.07130	0.3
190.02644	0.3
193.05009	1.4
194.05389	0.3
205.04999	0.2
223.06085	2.2
227.10382	0.4
653.28381	0.6
681.31311	0.2
716.33441	0.6
717.33044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97530	0.9
55.01872	1.0
55.96385	0.9
59.01371	44.8
60.61406	1.1
61.98823	11.9
64.91842	0.8
67.01893	8.4
68.99812	13.1
69.03454	4.0
69.27568	1.1
69.27966	9.4
71.01376	10.0
72.99301	1.7
73.02946	1.4
75.00870	1.9
80.65688	0.9
83.01391	1.7
83.05020	2.6
85.02943	6.9
87.00882	2.5
89.02431	5.0
91.05513	2.0
93.03450	66.3
94.03786	2.1
95.01376	7.0
95.05029	2.3
96.96004	1.9
97.02952	2.3
99.00890	3.1
99.04536	1.7
101.02429	22.1
107.05020	7.4
108.02171	2.5
109.02941	2.0
111.00863	30.5
111.01630	1.7
111.04515	14.1
113.02444	10.3
113.03198	1.2
113.03547	1.9
117.03452	2.1
119.03542	1.5
119.05004	9.6
120.99599	2.1
121.02952	8.0
123.04490	4.4
125.02425	1.5
125.06080	1.2
127.04005	16.1
128.03534	2.1
133.02962	8.0
134.03726	13.1
135.04541	19.3
136.01640	19.9
136.04114	0.9
137.02434	100.0
137.06050	3.1
137.09676	4.2
138.02763	3.7
139.00378	16.3
145.02966	1.8
147.04524	1.5
149.02414	7.3
149.06058	1.7
151.03992	8.7
151.07631	3.4
153.01933	2.3
153.05534	11.8
153.09145	1.5
155.03484	1.1
155.10748	5.8
160.01608	2.0
161.02423	22.3
161.04497	1.1
162.02979	1.4
163.03995	16.4
164.04701	1.0
165.01903	5.7
165.05539	1.8
171.02922	1.5
175.03990	3.1
177.05539	4.7
178.02734	1.0
179.03484	63.0
180.03815	5.0
181.08701	0.9
183.10228	3.9
189.01878	1.7
192.04259	1.0
193.05022	11.2
194.05385	3.6
195.06625	21.8
197.08194	1.5
199.09775	1.8
207.02959	3.8
209.04529	15.0
221.04555	2.7
223.06071	1.5
239.05574	58.5
240.05956	3.4
273.07663	17.5
274.08081	1.7
275.05612	9.4
281.06641	6.8
287.09369	1.1
299.07654	20.5
300.08084	1.4
307.08185	52.5
308.08493	4.0
315.08701	20.9
316.08997	1.9
323.07654	2.0
333.09711	7.9
337.09323	1.2
343.08289	3.4
357.09705	1.4
361.09003	1.6
368.10867	0.9
375.10791	4.7
403.10297	2.5
417.11938	1.4
435.12869	9.9
477.13931	2.8
519.16235	1.2
521.12750	2.3
569.22260	4.5
569.29724	2.1
579.17285	3.0
585.21417	1.5
597.18195	8.3
598.18854	2.2
655.02344	1.0
675.18439	1.2
679.29590	2.1
681.21527	12.1
682.22296	2.5
717.19202	30.2
718.20160	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	717.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78910	1.2
57.03423	3.0
59.01371	12.9
61.98816	1.8
67.01878	4.2
68.99811	5.5
69.03423	3.1
71.01372	17.7
81.03428	1.2
83.01349	1.7
83.05040	1.6
85.02934	23.6
89.02431	6.5
93.03447	20.4
95.01388	8.2
96.95984	3.0
97.02911	1.9
98.19823	3.3
101.02441	8.1
101.10245	1.4
107.05030	2.8
109.02940	2.0
109.06548	1.6
111.00856	8.2
111.04505	11.8
113.01682	2.7
113.02439	39.1
114.02741	1.3
119.03474	2.0
119.05000	4.1
121.02882	6.8
122.03739	15.1
123.04517	4.1
127.03999	2.9
133.02934	4.4
134.03716	3.4
135.04517	11.1
136.01680	2.3
137.02446	11.6
137.06033	5.4
139.00313	7.6
139.03984	3.6
143.03546	2.2
147.04489	4.5
149.02444	20.7
149.06032	3.2
150.03207	96.6
151.03806	4.4
153.05539	2.4
155.03426	1.9
159.04486	3.1
160.01682	1.9
160.05307	10.9
161.02400	5.6
161.04547	5.2
161.06029	5.1
162.02878	1.4
163.04004	6.0
164.04785	6.7
165.01917	7.3
165.05544	100.0
166.05885	3.6
173.04543	14.7
173.05980	2.8
174.04883	4.7
175.03802	1.5
175.07573	9.3
177.05579	6.3
178.06310	4.0
179.03459	4.4
179.05542	2.9
180.04219	5.4
181.05057	10.0
183.10240	1.5
191.07195	1.6
193.05063	2.4
193.08762	1.9
195.06595	68.7
196.06911	3.1
206.47847	1.4
207.02905	4.9
213.07654	4.0
224.88286	1.2
239.05569	2.2
273.07654	20.3
275.05444	2.1
305.45392	1.7
307.08206	5.8
329.13904	38.4
330.14148	3.4
343.08206	1.7
357.09338	2.0
357.15424	3.0
358.15750	3.6
359.15613	1.8
361.09213	4.0
375.10843	2.5
393.11871	14.8
394.12003	1.9
447.17935	1.7
477.19113	29.6
478.19482	4.7
507.20111	5.3
508.20590	1.7
521.16663	1.7
525.21265	47.3
526.21637	10.5
555.22314	15.0
556.22333	3.6
581.17218	4.8
622.18164	2.1
654.21021	1.4
717.22394	27.5
718.22424	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	717.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10088	0.3
57.03444	0.9
59.01357	1.2
60.93018	0.3
60.99298	1.0
67.01883	3.2
68.86692	0.3
69.03432	0.8
71.01385	2.0
78.50281	0.3
78.95909	0.3
81.03457	1.1
83.05017	0.9
85.02941	4.3
87.00871	4.8
89.02408	0.4
93.03445	24.0
94.03773	1.0
96.95994	0.4
99.00896	0.8
99.04490	0.9
109.02948	0.9
111.04507	3.6
113.02413	0.3
117.03486	0.4
119.05013	7.4
120.05337	0.4
121.02939	0.3
127.04002	1.5
129.01910	0.8
134.03764	1.6
135.04483	0.4
137.02385	1.6
145.02924	1.8
149.02423	0.4
155.03456	1.2
161.02423	0.3
163.03981	7.9
164.04361	0.8
173.04524	21.7
174.04846	0.8
183.40051	0.3
191.05583	100.0
192.05930	3.8
193.05013	1.9
208.30034	0.3
225.07465	0.4
229.17049	0.3
237.20959	0.3
248.48878	0.3
337.09241	38.1
338.09537	3.0
341.08847	0.3
367.10141	0.5
375.16415	0.7
552.63672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10088	0.3
57.03444	0.9
59.01357	1.2
60.93018	0.3
60.99298	1.0
67.01883	3.2
68.86692	0.3
69.03432	0.8
71.01385	2.0
78.50281	0.3
78.95909	0.3
81.03457	1.1
83.05017	0.9
85.02941	4.3
87.00871	4.8
89.02408	0.4
93.03445	24.0
94.03773	1.0
96.95994	0.4
99.00896	0.8
99.04490	0.9
109.02948	0.9
111.04507	3.6
113.02413	0.3
117.03486	0.4
119.05013	7.4
120.05337	0.4
121.02939	0.3
127.04002	1.5
129.01910	0.8
134.03764	1.6
135.04483	0.4
137.02385	1.6
145.02924	1.8
149.02423	0.4
155.03456	1.2
161.02423	0.3
163.03981	7.9
164.04361	0.8
173.04524	21.7
174.04846	0.8
183.40051	0.3
191.05583	100.0
192.05930	3.8
193.05013	1.9
208.30034	0.3
225.07465	0.4
229.17049	0.3
237.20959	0.3
248.48878	0.3
337.09241	38.1
338.09537	3.0
341.08847	0.3
367.10141	0.5
375.16415	0.7
552.63672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.9
59.01368	2.0
61.98826	0.5
64.94873	0.5
67.01884	4.0
68.37783	0.6
69.03445	3.9
69.60598	3.6
71.01380	4.1
71.05009	0.9
83.04977	0.8
85.02941	1.3
87.00885	0.6
89.02416	0.6
93.03444	27.4
94.03770	1.3
96.95983	0.8
101.02431	0.8
109.02936	0.8
111.00883	1.1
111.04512	7.2
113.02433	0.6
116.16167	0.5
123.04494	0.7
131.54626	0.7
133.02945	1.0
135.04503	1.7
135.63353	0.6
137.02396	6.1
139.11267	4.5
150.03181	1.0
155.03481	5.8
156.03940	0.6
161.02408	2.4
162.02792	0.6
165.05499	0.8
173.04518	98.1
174.04874	8.2
175.05067	1.5
179.03416	1.2
183.10228	6.6
185.11795	100.0
186.12134	5.6
217.30867	0.6
357.15494	42.7
358.15891	6.4
359.17032	50.1
360.17374	5.9
507.20514	1.2
540.52185	0.7
590.59943	0.6
622.18579	1.2
654.21655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54544	1.1
59.01373	9.1
61.98797	3.4
71.31691	1.9
80.91681	2.7
82.95391	1.3
94.86374	1.4
96.95997	22.9
117.03432	10.4
119.05008	30.2
121.02942	79.7
122.03276	2.9
145.02940	43.1
146.03256	1.7
163.04056	5.5
260.17752	1.3
263.83374	1.2
273.87381	1.1
305.73428	1.2
362.11041	1.4
362.15512	1.3
413.88461	1.2
453.33789	3.4
497.32455	2.0
509.95074	1.2
599.20947	2.7
617.38342	10.9
618.38757	3.5
639.36420	7.4
657.37579	100.0
658.37927	27.0
717.24304	6.3
718.23511	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	718.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
58.02968	12.7
59.01366	1.1
69.03434	0.5
70.79224	0.8
72.00903	4.5
74.02470	2.7
77.03949	3.2
81.03461	0.5
91.05512	1.1
93.03449	5.8
95.05033	1.8
96.04548	0.3
97.06519	0.4
106.04228	1.4
107.05009	1.2
108.02140	0.6
109.06587	0.5
111.04514	0.4
113.02421	0.4
119.05011	23.4
120.05338	0.7
121.02944	3.3
122.03703	0.8
125.09737	0.4
133.02965	0.7
134.06120	0.8
135.04514	1.7
136.07666	1.2
137.02419	1.5
137.06067	36.1
138.06396	1.2
148.01659	0.6
161.02377	2.4
162.05565	0.7
163.03989	22.7
164.04298	1.1
165.01906	9.5
165.12799	0.4
178.08702	13.9
179.03473	1.3
179.09039	0.7
180.06635	90.1
181.05148	0.6
181.06969	4.1
196.15097	0.4
207.02942	4.4
225.03986	1.1
266.13858	0.9
301.10684	1.7
345.09729	25.0
346.10187	2.3
372.18082	100.0
373.18430	12.8
486.67535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.7
69.23062	11.9
69.23426	2.3
71.01357	3.9
74.89905	1.1
78.95870	1.4
79.95724	4.2
85.02946	2.7
89.02438	2.3
93.74380	1.2
94.98058	3.9
95.01377	1.7
96.95997	100.0
113.02408	6.1
133.02934	15.4
134.03651	1.7
135.04503	26.1
136.04903	1.5
137.02437	1.5
140.93661	1.1
161.02429	41.7
162.02762	3.0
173.04495	3.0
179.03464	34.8
180.03848	2.2
211.95079	1.2
246.07562	1.5
260.07785	1.3
267.12387	1.6
429.17590	1.9
487.14288	3.8
623.19696	2.8
651.19141	18.1
652.19482	5.0
681.19861	2.7
683.22180	6.2
719.19849	1.8
719.31793	14.0
720.19128	2.1
720.31781	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	719.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.8
59.28823	1.1
69.72086	2.4
69.72496	3.8
71.01370	4.0
71.60144	0.9
89.02429	6.7
97.77124	0.9
98.19897	1.1
101.02419	2.9
113.02431	1.9
117.81631	1.2
119.03487	2.1
179.05577	4.3
180.13722	1.2
215.03218	4.7
279.15460	1.0
341.10822	19.4
342.11432	1.7
377.08493	100.0
378.08838	9.5
506.79239	1.1
529.74188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76086	1.1
55.49583	1.0
59.01373	7.1
69.56615	7.0
71.01376	6.1
85.02947	1.7
89.02444	6.1
96.96021	1.6
98.20023	2.8
101.02425	3.5
113.02430	3.3
119.03513	2.3
131.03439	1.4
135.04433	1.1
161.02444	2.0
161.04546	1.9
179.03400	1.4
179.05586	3.3
191.05585	1.5
215.03235	5.8
341.10980	19.3
342.11023	1.4
375.12924	1.8
377.08493	100.0
378.04599	1.4
378.08679	7.0
491.05792	1.3
598.00623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88717	0.5
57.03440	0.9
59.01369	5.2
59.99786	0.4
63.42478	0.5
71.01378	7.6
73.02962	0.6
73.45665	0.5
74.02471	6.3
77.03952	0.5
81.29172	0.4
85.02941	8.2
89.02434	2.2
95.01385	3.9
96.96006	2.1
99.94971	0.4
101.02435	1.9
105.03448	0.6
113.02437	15.9
114.02774	0.5
115.00424	0.4
116.03538	0.7
117.03454	0.6
123.04487	0.8
126.86701	0.4
128.66922	0.4
129.53165	0.4
132.02173	2.1
133.02939	42.4
134.03224	2.2
135.04510	9.9
145.03000	0.5
147.04489	0.6
159.04457	0.6
161.02422	100.0
162.02753	5.9
172.05342	0.6
173.06024	1.2
178.33350	0.4
179.03467	6.7
187.04018	0.7
187.07629	6.8
188.07919	0.5
190.56876	0.4
201.05534	1.8
202.06305	9.1
203.06654	0.6
203.10837	0.5
213.09163	0.5
216.07895	0.8
220.07512	0.6
230.33983	0.7
231.10197	7.3
232.10704	0.5
249.11247	1.9
266.13962	2.6
303.45242	0.5
310.16577	5.0
313.44025	0.5
411.16730	0.5
539.21045	0.8
557.22363	12.3
558.22827	2.4
701.24744	1.3
719.25446	60.7
720.25690	14.1
738.87421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22532	0.3
59.01372	12.4
60.99302	0.4
61.98823	100.0
62.58166	0.3
63.99253	0.3
68.99813	0.9
69.52014	2.4
71.01377	7.3
71.45096	0.3
72.50088	0.3
72.99316	0.8
76.78279	0.3
85.02910	1.7
87.00893	0.6
88.98830	1.1
89.02438	10.8
93.03443	0.8
95.01386	0.5
95.89401	0.3
96.96008	2.1
101.02428	5.7
111.00887	0.5
113.02438	3.7
115.00346	0.3
119.03484	3.6
121.02972	0.9
123.04505	0.5
127.04028	0.8
129.13901	0.4
131.03552	0.6
133.02962	1.3
134.03763	2.0
135.04515	5.3
136.04860	0.6
137.02406	4.0
138.03177	2.1
139.00378	0.4
139.04050	0.6
141.06715	1.0
143.03519	1.5
149.02440	0.7
149.04587	0.5
151.04050	0.4
153.01910	0.4
153.05602	0.6
153.09215	1.2
160.01614	0.4
160.04007	4.1
161.02415	2.9
161.04509	2.8
162.02785	0.7
163.03993	1.1
165.01904	2.0
166.02670	4.3
175.04099	0.5
177.05600	0.4
179.03526	2.5
179.05612	10.5
179.07153	0.6
180.03944	0.4
180.05933	0.7
181.05040	11.9
182.05417	0.6
190.64163	0.3
193.05061	1.4
195.06602	1.9
197.08224	1.0
221.04491	0.5
239.05547	1.1
258.98450	0.3
267.09998	0.4
281.06619	4.7
335.07648	0.5
367.10379	0.6
417.13889	0.8
418.13907	0.7
461.12802	5.3
462.13339	0.5
481.21066	0.3
498.28253	0.5
502.16260	0.6
605.23395	0.4
625.17761	4.9
626.18695	0.8
651.76105	0.4
684.23303	0.5
720.26746	2.2
721.25372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22532	0.3
59.01372	12.4
60.99302	0.4
61.98823	100.0
62.58166	0.3
63.99253	0.3
68.99813	0.9
69.52014	2.4
71.01377	7.3
71.45096	0.3
72.50088	0.3
72.99316	0.8
76.78279	0.3
85.02910	1.7
87.00893	0.6
88.98830	1.1
89.02438	10.8
93.03443	0.8
95.01386	0.5
95.89401	0.3
96.96008	2.1
101.02428	5.7
111.00887	0.5
113.02438	3.7
115.00346	0.3
119.03484	3.6
121.02972	0.9
123.04505	0.5
127.04028	0.8
129.13901	0.4
131.03552	0.6
133.02962	1.3
134.03763	2.0
135.04515	5.3
136.04860	0.6
137.02406	4.0
138.03177	2.1
139.00378	0.4
139.04050	0.6
141.06715	1.0
143.03519	1.5
149.02440	0.7
149.04587	0.5
151.04050	0.4
153.01910	0.4
153.05602	0.6
153.09215	1.2
160.01614	0.4
160.04007	4.1
161.02415	2.9
161.04509	2.8
162.02785	0.7
163.03993	1.1
165.01904	2.0
166.02670	4.3
175.04099	0.5
177.05600	0.4
179.03526	2.5
179.05612	10.5
179.07153	0.6
180.03944	0.4
180.05933	0.7
181.05040	11.9
182.05417	0.6
190.64163	0.3
193.05061	1.4
195.06602	1.9
197.08224	1.0
221.04491	0.5
239.05547	1.1
258.98450	0.3
267.09998	0.4
281.06619	4.7
335.07648	0.5
367.10379	0.6
417.13889	0.8
418.13907	0.7
461.12802	5.3
462.13339	0.5
481.21066	0.3
498.28253	0.5
502.16260	0.6
605.23395	0.4
625.17761	4.9
626.18695	0.8
651.76105	0.4
684.23303	0.5
720.26746	2.2
721.25372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.1
60.11163	0.1
63.65487	0.1
69.69604	0.6
73.16367	0.1
78.91520	0.1
79.95731	3.3
81.11001	0.1
85.02932	0.1
89.25207	0.1
96.96000	100.0
97.95943	0.4
98.20589	0.2
98.95536	0.1
113.02407	0.2
133.02928	0.6
135.04503	0.5
161.02420	1.8
163.12607	0.1
176.72116	0.1
179.03531	0.2
222.29234	0.1
246.29707	0.1
247.91908	0.1
383.71783	0.1
461.43320	0.1
522.35394	0.1
563.51685	0.1
599.57556	0.1
623.19867	1.1
624.19666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
66.19587	0.1
69.81491	0.7
71.01372	0.4
79.95736	3.4
85.02959	0.1
87.00843	0.7
96.95999	100.0
97.95939	0.4
98.20608	0.1
111.10081	0.1
113.02431	0.2
115.00343	1.1
125.84625	0.1
128.54361	0.1
133.02940	0.5
135.04529	0.2
161.02432	1.2
175.02460	1.9
179.03485	0.2
195.06635	0.6
278.74860	0.1
358.13028	0.2
623.19818	1.0
624.19861	0.2
721.30011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94227	0.1
55.80812	0.1
56.33754	0.1
59.01371	0.5
63.36995	0.1
69.24739	1.3
71.01358	0.2
79.95726	3.2
85.02937	0.2
96.95999	100.0
97.95946	0.5
98.20608	0.4
98.95609	0.3
113.02442	0.5
117.03404	0.2
119.05033	0.2
120.24799	0.2
133.02942	0.7
135.04501	0.6
145.02956	0.6
161.02412	2.1
173.04619	0.2
179.03493	0.5
201.11226	0.2
208.09959	0.2
229.74883	0.1
258.12155	0.1
460.14487	0.2
577.15906	0.2
623.19537	1.2
648.86530	0.1
720.31720	0.4
721.20264	0.2
721.32031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03066	0.1
58.60751	0.1
59.01374	0.5
65.89257	0.1
69.03452	0.1
71.01357	0.6
71.60690	0.1
73.05184	0.1
78.95894	2.4
79.95728	3.2
85.02911	0.5
89.02444	0.3
95.01374	0.2
95.05039	0.1
96.95999	100.0
97.95928	0.4
101.02450	0.2
101.03081	0.1
113.02435	1.1
135.04492	0.8
151.07674	0.1
153.05608	0.1
191.05623	0.4
227.05580	0.1
313.85678	0.1
341.08566	0.2
389.10739	0.1
407.15631	0.2
461.16562	2.6
462.16772	0.3
623.21619	1.0
624.22583	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	721.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79007	0.7
55.01840	0.9
57.03434	1.3
57.30619	0.8
59.01376	21.0
61.31435	0.7
67.01881	4.3
68.99805	0.9
69.03447	26.3
70.35732	0.8
70.36083	2.2
71.01370	17.2
73.02938	1.3
83.01392	1.2
84.02151	0.7
84.22105	0.7
85.02940	19.4
86.02477	5.1
87.00856	2.1
89.02427	6.3
92.05042	4.7
93.03442	3.3
95.01363	7.5
95.05019	16.7
96.95987	3.3
99.04507	0.8
99.08720	0.6
99.37582	0.7
101.02428	6.4
109.02919	0.7
111.00864	2.6
111.04520	1.0
113.02437	38.9
113.06093	1.0
114.02745	1.7
116.05041	4.8
117.09912	0.7
121.02908	1.0
121.06491	0.8
123.04488	2.1
123.32112	0.7
127.03999	8.0
129.07533	0.7
134.03732	4.0
135.04509	25.5
136.04855	1.1
139.00356	2.3
139.03952	2.3
139.07622	1.5
141.52081	0.7
142.06596	1.8
143.03433	1.0
153.05486	1.0
161.04562	1.7
165.05539	5.2
169.07635	0.7
171.09261	6.0
173.04482	2.0
183.06587	10.9
191.05592	33.7
193.05058	4.8
209.51070	0.8
215.08182	11.3
216.08574	1.1
241.07066	3.8
242.05769	1.8
257.08218	2.3
259.07123	9.8
285.11230	2.8
297.09845	1.1
315.10791	2.9
367.10178	1.6
373.09146	2.1
461.16571	100.0
462.16965	11.2
505.49670	0.8
547.14502	1.5
721.19318	4.6
722.19305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19050	0.3
58.02961	0.6
58.18561	0.3
59.01373	13.3
61.98820	1.7
69.34196	2.9
71.01357	1.5
71.07672	0.3
72.00894	0.7
72.59267	0.4
73.02908	0.5
74.02435	0.4
76.34444	0.4
78.95872	0.5
80.38927	0.4
82.02965	1.4
85.02943	0.6
88.98800	0.7
89.02430	0.9
95.02465	0.5
96.96004	4.1
97.04069	0.9
99.05625	1.4
100.00389	1.1
101.02422	0.7
106.04189	0.5
111.04471	0.5
113.02433	0.5
113.51057	0.3
118.06582	0.5
118.84913	0.4
119.05005	1.5
120.04550	0.6
125.03523	0.8
128.66167	0.4
130.06593	0.7
131.03500	0.5
132.08234	0.3
133.02895	0.5
135.04463	1.1
137.06067	16.0
137.07159	0.8
138.06371	0.5
144.08183	1.1
145.06618	0.4
146.06075	1.0
157.05304	0.9
160.07646	1.1
161.02415	1.6
162.04312	0.5
163.03973	0.4
163.07635	0.5
170.06125	0.5
172.07657	4.4
173.07059	0.8
175.08772	0.5
176.07124	0.8
178.08716	1.5
179.03499	1.0
180.06725	0.4
185.91307	0.4
187.08786	1.8
188.07146	0.4
190.05048	0.9
201.06660	0.7
201.10233	2.0
202.08707	1.3
203.08250	0.8
204.10229	1.3
205.09740	3.5
211.08646	0.6
213.06671	0.7
214.07373	1.3
215.08186	0.5
216.06650	0.7
219.10521	2.3
229.09770	12.9
230.10201	0.9
231.07756	0.7
243.32272	0.4
245.09282	2.9
246.09648	0.4
255.07719	0.8
261.12387	9.8
262.12650	0.5
263.10284	1.2
273.08698	3.3
277.11823	0.4
287.10312	0.8
305.11447	2.6
337.13901	2.3
349.10254	0.8
381.12994	1.1
393.14331	1.8
413.76501	0.4
425.16730	0.6
487.17191	1.7
496.80780	0.5
501.18707	100.0
502.19046	15.8
569.29633	3.1
570.30090	0.5
587.30359	0.9
645.39783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
57.45189	0.4
58.17768	0.5
59.01366	2.2
66.47500	0.4
67.01881	4.5
69.03442	0.7
70.92717	1.3
71.01383	3.0
79.27953	0.4
81.03463	0.9
83.05009	2.6
85.02947	0.7
89.02424	0.6
93.03443	25.2
93.59251	0.4
96.95988	1.3
108.92427	0.5
109.02928	1.3
111.00863	0.9
111.04514	5.2
111.41125	0.5
113.02421	0.9
133.02960	1.0
135.04550	1.1
137.02411	4.9
137.09717	2.5
155.03488	4.5
155.10764	7.5
158.69649	0.6
161.02405	1.8
171.87881	0.5
173.04521	100.0
174.04817	3.4
179.03432	1.6
181.08636	1.2
191.05554	1.2
199.09734	18.2
199.11592	1.1
200.10101	0.9
373.14960	46.1
374.15332	4.7
651.91510	0.6
726.13556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46049	0.3
51.22951	0.3
59.01384	2.6
61.98821	1.9
65.90661	0.3
71.01377	2.2
72.99331	0.3
73.02943	0.8
80.69234	0.3
85.02949	1.4
87.00870	0.4
89.02448	0.2
91.05514	0.4
96.96011	1.6
99.00883	0.5
101.02436	1.0
113.02457	1.1
117.03481	0.7
119.01393	0.9
119.05013	0.6
121.02937	7.3
122.03279	0.3
123.48103	0.3
130.70380	0.2
132.02164	1.1
134.03719	1.2
135.04538	0.5
147.00827	0.5
147.04497	3.5
149.02425	55.3
150.02768	2.7
152.01080	0.3
163.03984	0.9
164.04771	52.4
165.05078	2.6
175.00337	4.1
179.07108	6.9
180.07370	0.3
190.02702	11.3
191.03049	0.7
193.05025	1.3
205.05019	8.6
206.05359	0.6
208.03703	0.4
223.06084	100.0
224.06430	5.8
477.78632	0.3
662.59546	0.4
721.34290	14.1
722.34668	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	721.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
57.03444	2.0
58.00602	0.4
59.01370	17.4
61.98822	97.7
62.98537	0.8
62.99259	0.4
69.03433	2.5
71.01374	33.4
72.01678	0.5
72.99301	1.8
73.02940	3.7
81.03455	1.3
83.01395	2.2
85.02940	19.1
87.00880	1.5
89.02431	6.5
91.05534	0.6
95.01373	5.8
97.02950	3.1
99.00835	2.2
101.02427	6.0
103.03967	0.6
107.05045	1.2
113.02435	31.1
114.02772	0.9
119.03474	1.6
123.04509	9.5
123.05348	0.7
125.02426	3.7
128.98622	0.4
134.03740	1.9
135.04507	72.9
136.04832	3.8
137.20227	0.4
143.03458	1.7
153.05559	7.4
161.04552	0.8
163.06160	0.5
177.05539	0.4
211.44490	0.4
220.80209	0.4
223.39919	0.4
232.01256	0.4
232.58665	0.4
277.21680	35.4
278.21991	4.2
291.23279	1.5
297.09802	3.8
315.10812	4.6
373.23877	2.1
421.26184	0.8
426.70383	0.4
443.15457	1.5
444.15790	0.4
461.16544	27.1
462.17123	2.9
575.32336	1.9
603.21600	0.7
721.37915	100.0
722.38306	27.2
735.98059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89854	10.8
78.78516	4.0
88.99365	4.2
255.23283	100.0
256.23523	7.0
310.09164	4.4
389.38467	4.7
430.97400	4.3
532.59631	5.0
589.03558	4.9
721.42035	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	722.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28802	0.6
57.03442	1.9
57.91510	0.5
59.01376	8.8
71.01373	15.6
71.17197	1.6
72.87566	0.6
72.99295	0.8
73.02951	0.8
75.98730	0.6
79.95721	0.6
82.95439	0.6
83.01355	0.9
85.02937	18.9
87.00889	0.8
88.49325	0.5
89.02444	5.4
93.03429	1.1
95.01368	6.5
96.96002	7.7
101.02437	2.0
105.03470	0.8
113.02434	36.7
117.03432	1.5
119.03474	0.8
132.02130	4.0
133.02939	51.1
134.03320	1.0
135.03481	1.0
135.04509	14.2
137.73886	0.6
147.04443	0.7
148.04010	3.5
149.04800	15.1
160.03990	10.7
161.02420	100.0
161.04633	3.3
162.02750	5.8
162.05603	0.9
163.03961	1.0
174.05583	2.3
175.06381	4.7
179.03441	9.3
180.03700	0.8
188.07109	1.9
190.08705	43.8
191.05568	18.2
191.09088	2.3
192.05945	0.7
208.09796	1.6
234.07582	1.0
239.09210	1.4
337.09186	4.5
516.20587	1.6
560.19733	79.8
561.20117	12.5
678.23474	1.6
704.22186	1.1
722.22858	54.8
723.23181	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	723.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72646	1.4
55.01849	1.6
57.03435	3.1
59.01374	85.6
67.01884	4.2
67.08686	1.3
69.03432	2.0
71.01374	51.3
71.40861	1.2
71.60868	2.7
72.99321	1.6
73.02938	24.9
78.15416	1.3
81.03431	1.4
82.65726	1.3
83.01367	11.7
85.02941	21.3
87.00865	12.5
89.02438	19.6
92.39829	1.3
93.03448	31.6
95.01378	7.0
99.00866	10.3
101.02430	32.8
102.02716	1.6
109.02943	4.8
111.00893	2.2
111.04525	3.5
113.02431	30.8
115.00369	13.5
119.03497	6.5
119.05015	49.1
121.06642	1.8
127.04011	1.7
131.03453	2.7
133.02950	4.3
134.03700	2.1
135.04500	5.1
136.45918	1.5
137.06049	3.8
139.00343	4.3
143.03503	3.9
145.02936	5.0
147.04555	2.5
149.04594	4.4
149.06049	26.7
155.03476	2.6
157.01335	2.3
161.02451	19.5
161.04521	8.6
161.05841	1.9
163.03978	10.8
165.01903	1.5
173.04523	28.0
173.08160	5.5
174.03195	1.4
175.02452	8.0
175.04002	4.9
177.01901	19.8
179.03468	5.3
189.05589	2.4
191.05583	100.0
192.05898	4.1
193.05028	4.1
206.02216	3.9
219.02965	9.9
221.06583	2.1
233.04497	14.8
237.04037	13.4
277.03491	28.3
278.03702	2.2
281.10272	85.4
282.10477	6.8
293.06619	7.1
299.11282	11.7
319.04614	15.6
337.05530	33.0
337.09299	26.9
337.14883	3.5
338.05890	2.9
338.09619	3.5
341.12372	73.0
342.12717	6.6
367.10330	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	723.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	46.1
60.99310	1.2
64.32900	0.9
67.01888	4.2
69.03453	1.1
70.16346	1.0
70.17030	2.8
71.01373	22.4
71.05014	1.1
73.02942	19.2
79.95994	0.9
81.03433	1.3
83.01379	4.4
83.05015	1.2
85.02939	8.9
87.00863	6.3
89.02432	9.3
93.03453	30.8
94.03797	1.0
98.14369	0.9
98.20602	1.0
101.02432	22.2
109.02890	1.5
111.04504	3.9
113.02423	10.1
119.03592	5.2
119.05014	31.8
120.05408	1.5
127.03959	1.2
131.03436	1.0
137.02492	2.1
143.03508	1.9
145.02957	1.6
149.04517	2.7
155.03499	2.8
161.04562	5.6
163.04005	13.7
173.04535	54.3
174.04865	1.8
191.05591	100.0
192.05997	3.4
212.04408	1.0
214.00037	0.9
221.06625	1.1
258.50711	1.0
281.10254	30.1
282.10568	2.8
299.11237	7.0
337.09250	28.5
338.09558	2.4
341.12372	31.9
342.12689	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	723.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
57.03430	2.5
58.00583	4.5
59.01094	3.6
59.01372	58.2
61.03009	1.9
71.01373	80.8
71.27351	3.1
72.99290	4.9
73.02934	13.6
83.01363	7.8
85.02937	24.1
87.00826	3.7
88.87281	1.9
89.02442	29.5
93.03453	3.6
95.01375	4.8
96.96014	12.3
98.95564	3.4
99.00847	6.5
101.02429	36.2
106.04207	2.3
107.08735	3.7
109.06565	9.9
113.02433	27.7
119.03463	14.0
119.04971	11.0
121.06581	52.0
122.06919	3.7
123.04496	8.3
125.09596	2.2
133.06583	14.1
135.04500	7.9
135.08113	3.5
137.06056	24.4
139.07622	2.1
143.03453	3.1
151.07631	89.2
152.07977	4.3
153.05559	16.4
153.09190	12.6
155.67381	1.8
158.00208	1.8
161.04517	6.9
165.05516	4.6
165.09169	4.7
169.08733	3.7
177.05403	4.1
179.05554	6.1
183.06613	4.7
183.10217	6.1
191.05614	9.2
195.06589	3.6
197.08134	2.1
205.01097	3.0
207.02745	3.5
219.06401	4.9
227.07021	1.9
227.09196	44.5
228.09544	3.5
250.03729	2.0
262.16974	2.0
273.07327	2.5
281.10211	6.8
303.08347	7.0
313.12897	34.1
314.13214	2.8
315.10651	6.5
317.50562	2.1
321.09467	27.0
322.09866	4.1
337.08911	28.7
338.08902	3.0
345.11804	4.8
350.98328	2.0
357.11826	28.8
358.12207	2.2
363.10556	44.8
364.10809	3.5
365.08408	4.9
369.27048	1.9
374.67645	2.2
375.12885	19.1
377.14453	17.4
389.14499	69.1
390.14780	7.3
401.64478	2.1
407.15527	100.0
408.15787	10.8
418.69516	1.9
439.02570	1.9
452.22610	2.2
473.26974	2.4
518.00092	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	725.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39418	0.6
59.01372	9.6
69.03435	0.8
70.70053	0.6
71.01367	6.9
72.99306	0.7
73.02941	2.9
73.68651	0.6
78.49614	0.6
83.01371	1.2
85.02930	7.3
87.00857	2.6
89.02438	3.1
93.03435	4.1
98.20333	0.8
101.02436	5.7
109.02950	2.9
111.00932	0.7
113.02405	2.0
116.30867	0.5
119.03496	1.7
119.05006	2.1
127.03981	0.9
131.03485	1.0
133.02940	10.5
134.03728	1.1
135.04506	32.6
136.04837	1.8
137.02434	1.0
137.06158	0.7
143.03470	0.8
148.05249	1.0
149.06075	1.0
161.02425	29.4
162.02777	1.7
173.04564	3.8
175.03928	2.9
175.30844	0.6
177.02022	1.0
177.05496	4.0
179.03468	36.6
180.03790	1.3
189.05548	1.2
191.05583	100.0
192.05907	5.0
193.06139	0.9
196.54488	0.7
203.03473	18.8
204.03825	0.7
207.06544	1.0
221.04575	3.6
233.04509	2.9
244.31133	0.6
251.05603	2.2
263.05569	0.7
281.06668	19.4
281.10199	2.5
282.06873	1.5
293.06320	0.6
311.07663	2.1
341.08908	0.6
341.12427	2.7
351.07153	1.6
353.08698	15.4
354.08920	2.0
367.29080	0.8
371.09756	30.6
372.10165	3.1
381.17487	1.5
519.17480	0.7
561.61713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55756	0.7
57.03430	1.1
59.01366	6.8
67.01867	2.4
71.01373	7.1
71.62259	0.7
72.99281	1.0
73.02924	1.2
81.03437	1.7
83.05018	2.7
85.02944	3.8
85.06582	2.5
87.00858	2.1
89.02441	5.0
93.03446	14.7
96.95995	2.5
99.04507	10.9
101.02432	4.0
109.02951	1.3
110.80847	0.7
111.00849	1.3
111.04497	7.1
113.02427	2.3
113.06087	1.5
117.03442	0.9
119.03493	2.4
121.02930	4.0
122.03752	4.0
127.04048	1.6
129.01915	1.1
131.07123	9.9
133.02939	3.4
134.03726	46.8
135.04573	8.5
136.01605	1.4
137.02429	9.8
139.03984	3.2
145.64111	0.8
149.02420	10.6
149.06059	17.3
150.03215	39.3
151.03694	1.7
155.03477	7.0
161.02461	2.2
164.04797	4.6
165.05556	39.1
166.05862	2.2
170.77202	0.9
173.04527	56.4
174.04874	2.1
178.02710	27.4
179.03481	8.3
180.04175	3.3
191.05597	10.3
193.05034	100.0
194.05376	6.0
195.06609	17.8
196.06911	0.9
205.97672	0.8
223.06107	5.6
271.71640	0.8
282.08987	3.2
293.12366	33.2
294.12784	2.5
323.13736	1.0
341.10220	3.3
349.09625	0.8
349.15042	5.7
353.08820	8.8
354.09137	1.4
367.10031	1.6
371.09689	3.0
389.07291	1.4
389.12335	27.5
390.12552	3.6
455.35208	0.8
551.17621	23.1
552.18304	4.3
563.17346	1.3
685.96320	0.8
688.11371	0.8
725.22943	28.9
726.23322	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	725.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07682	0.7
57.03440	4.5
58.25294	0.7
59.01367	10.8
67.01888	3.8
69.03448	8.1
71.01378	9.6
71.05012	1.8
71.61549	1.0
73.02949	1.7
81.03432	0.8
83.05010	0.9
84.78880	0.7
85.02945	2.3
87.00879	1.6
89.02434	10.0
93.03448	29.1
94.03773	0.8
96.96021	1.1
99.00852	1.4
101.02428	4.0
102.06956	0.7
109.02942	0.9
111.00878	1.5
111.04508	6.8
111.08141	2.2
113.02441	2.0
113.06081	1.3
117.03468	2.5
119.03529	1.2
123.08119	1.1
125.02437	1.1
127.03985	0.9
127.26463	0.7
131.03497	1.6
133.03024	0.8
134.03723	17.2
135.04260	0.9
137.02437	4.4
139.11275	11.2
149.02376	0.8
149.04538	6.6
149.05957	0.9
155.03494	6.6
161.02408	2.0
173.04523	100.0
174.04913	4.2
183.10229	61.6
184.10562	3.2
190.22813	0.7
191.05574	5.0
193.05022	13.7
282.95724	0.8
323.92749	0.7
357.15482	49.3
358.15921	6.7
367.10275	28.4
367.15057	0.9
368.10544	1.9
379.56332	0.9
398.50198	0.8
409.54492	0.7
485.23975	0.8
609.99731	0.8
665.30530	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	725.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97590	1.2
52.88641	1.4
56.55028	1.4
58.00584	2.9
59.01371	95.9
59.09332	1.3
59.26661	1.3
60.88942	1.4
62.59202	1.2
67.01886	8.7
68.99811	11.4
69.03101	2.5
69.03445	29.3
69.71191	5.9
71.01369	60.3
72.99282	4.2
73.02917	3.3
83.01378	2.0
85.02937	9.3
87.00845	3.1
89.02431	79.9
91.52512	1.4
93.03398	1.7
95.01364	5.2
95.05012	34.4
96.05332	1.9
96.81524	1.4
98.19948	1.8
99.00864	1.4
99.04557	1.5
101.02425	51.4
111.00859	17.3
113.02433	28.2
119.03487	30.5
119.04861	2.7
121.02937	100.0
121.06582	4.1
122.03286	4.7
123.04507	23.0
127.03979	8.8
131.03452	3.3
135.04472	1.8
137.06035	2.9
139.00357	17.1
141.09169	5.9
143.03484	6.7
147.04491	8.1
149.02393	4.7
149.04495	3.4
153.05470	2.0
159.10233	2.7
161.02463	2.7
161.04536	11.7
165.04300	1.6
165.05556	15.3
179.05603	60.5
179.07072	9.5
180.05939	1.9
181.04997	4.1
191.03441	3.9
209.04451	3.1
211.39647	1.4
223.06062	44.5
224.06383	2.8
241.07086	1.7
321.15482	93.5
322.15714	9.2
323.92239	1.5
333.08148	3.6
371.09741	47.0
372.10007	6.4
403.12411	60.4
404.12616	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	725.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.2
58.00586	0.1
59.01372	2.7
60.99307	0.3
61.10163	0.1
61.98821	0.9
67.01871	0.2
69.03433	0.2
69.47070	0.4
69.47478	0.8
71.01368	2.3
71.05008	0.6
72.99295	0.7
73.02934	0.7
75.00848	0.2
83.01395	0.2
85.02925	0.9
87.00854	0.5
89.02450	0.9
89.03965	1.6
91.01863	0.2
93.03445	1.0
96.96018	1.2
97.02953	0.2
99.00849	0.4
101.01863	0.1
101.02413	1.0
106.04221	0.5
108.02142	0.2
113.02431	1.0
117.02614	0.3
117.03454	5.7
118.03763	0.2
119.03478	0.3
119.05017	0.2
119.91127	0.1
121.02959	0.3
123.04493	0.2
132.02161	2.9
133.02980	0.3
134.03725	92.4
134.25664	0.2
135.03999	3.8
136.01642	1.7
137.02409	0.6
139.03964	0.2
145.02977	0.3
147.00772	0.2
149.02452	0.7
149.06064	7.5
150.06407	0.5
151.03990	1.4
153.09192	0.5
155.03436	0.2
160.01634	11.7
161.02357	1.0
163.03949	0.3
164.04782	0.7
165.01903	0.2
165.05461	0.2
173.04544	2.4
175.00381	1.5
175.03972	12.4
176.04378	0.6
178.02676	0.6
179.03482	0.5
179.07173	0.2
179.65343	0.1
181.42860	0.1
190.02689	3.9
191.03333	0.3
191.05518	0.2
193.05026	100.0
194.05363	6.1
194.07126	0.3
199.10031	0.1
205.05019	3.3
205.06786	0.3
206.05525	0.3
223.06093	0.9
242.00996	0.1
265.07120	0.2
337.09265	0.3
342.10892	0.2
343.11508	0.2
357.13528	0.5
367.10306	2.9
368.10870	0.2
369.28482	0.2
383.11389	0.2
429.02924	0.2
439.32120	1.1
441.33624	2.8
442.34286	0.5
443.31537	0.3
459.34827	0.2
473.33102	0.3
485.32587	1.8
486.33096	0.3
503.33957	1.9
504.34302	0.3
531.28101	1.3
549.28955	0.3
551.28937	0.3
689.28253	0.3
725.24567	1.7
725.34198	17.8
726.25116	0.3
726.34589	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	725.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38712	0.2
55.82077	0.2
59.01370	2.1
61.98822	0.5
69.27666	1.4
69.28090	0.9
71.01364	1.7
73.02941	0.6
85.02959	0.9
87.00854	0.4
89.02409	0.5
89.03944	1.9
93.03471	0.5
96.95991	0.7
98.20612	0.5
99.00842	0.4
101.02448	0.7
106.04261	0.3
113.02460	0.7
117.03454	6.4
119.04913	0.3
123.74401	0.3
132.02145	2.8
133.02974	0.5
134.03725	92.6
135.04022	4.1
136.01643	0.8
136.04117	0.2
149.02348	0.3
149.06052	6.9
150.06306	0.3
151.03972	0.5
160.01637	11.5
160.36348	0.3
161.02184	0.8
161.04536	0.2
173.04510	1.0
173.22043	0.2
175.00421	0.9
175.03978	12.1
176.04274	0.7
178.02640	0.5
179.03546	0.4
185.26537	0.3
190.02666	1.6
193.05029	100.0
194.05354	5.9
205.05054	1.5
223.06041	0.3
265.07062	0.3
297.01495	0.3
337.09375	0.4
348.08273	0.3
367.10300	1.2
417.25241	0.3
439.32031	0.3
441.33612	1.0
485.32703	0.7
503.33554	0.6
513.26172	0.3
531.28247	1.5
532.28461	0.3
725.33972	18.1
726.23358	0.4
726.34564	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	725.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46598	0.2
54.81292	0.2
55.01869	0.2
57.03475	0.3
59.01370	2.3
60.99341	0.2
61.98818	1.0
71.01366	1.4
71.05002	0.2
71.54160	0.4
72.99294	1.0
73.02941	0.6
85.02948	0.8
87.00878	0.4
87.53856	0.2
88.98804	0.3
89.02431	0.8
89.03965	1.5
93.03416	0.5
95.01405	0.3
96.95984	0.6
97.02970	0.2
99.00861	0.5
101.02418	1.1
106.04211	0.4
106.78955	0.2
108.02241	0.2
111.59583	0.2
113.02432	0.5
117.03454	6.0
118.03716	0.2
119.04990	0.3
121.02938	0.7
130.20555	0.2
132.02156	2.4
132.63686	0.2
133.02960	0.6
134.03726	84.2
135.04016	4.0
137.02412	0.5
139.04002	0.2
147.04492	0.6
148.01619	0.2
149.06059	6.5
150.06323	0.4
160.01636	9.7
160.47763	0.2
161.02271	0.8
163.04047	0.5
173.04529	0.5
175.03978	9.3
176.04359	0.6
178.02705	1.0
179.03525	0.2
188.35602	0.2
191.03470	0.5
193.05028	100.0
194.05363	6.6
195.05428	0.2
205.05063	0.3
209.11520	0.2
233.04662	0.3
278.84329	0.2
337.09241	1.5
338.09583	0.2
353.09082	0.3
356.12686	0.6
357.13425	0.4
367.10086	0.3
371.14743	0.3
387.14279	0.3
417.25082	0.3
441.33563	0.8
467.75742	0.2
473.32504	0.2
485.32672	0.3
503.33749	1.8
504.34180	0.3
531.28088	1.2
545.34515	0.3
590.95789	0.2
665.39008	0.3
689.28168	0.5
692.18805	0.2
725.34039	14.2
726.23303	0.4
726.34314	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	725.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01382	10.0
61.98824	5.6
65.68866	0.9
69.03440	1.7
71.00988	1.4
71.01376	27.8
72.99272	1.2
73.02930	3.5
82.94420	0.8
83.01374	2.5
85.02939	13.1
87.00913	0.9
89.02410	5.1
95.01389	4.5
97.02918	2.4
98.19833	2.5
99.00857	2.8
101.02446	4.6
104.21320	1.0
113.01688	1.8
113.02433	27.0
119.03493	1.5
123.04499	7.1
125.02430	4.2
134.03711	1.5
135.04510	64.7
136.04800	2.3
143.03432	1.3
153.05548	5.9
161.04575	1.2
229.33492	1.2
262.85379	0.8
281.24802	41.4
282.25223	3.0
295.26364	4.0
297.09662	2.4
315.10834	3.2
324.32611	0.9
377.26791	2.3
434.14053	1.0
443.15213	1.3
461.16602	18.6
462.16852	2.1
579.35413	1.5
586.14069	1.1
725.41046	100.0
726.41516	28.4
726.52850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.55429	0.4
59.01089	0.6
59.01370	9.9
61.98816	0.4
71.01370	7.1
71.04980	0.5
72.99294	0.6
73.02937	2.6
75.00875	2.1
83.01372	2.2
83.01798	0.3
85.02937	3.6
87.00824	0.7
89.02429	1.7
95.01371	0.7
96.96013	0.6
98.20656	0.7
99.00852	1.2
99.26133	0.4
101.02428	8.0
102.02742	0.5
113.02430	2.9
113.76089	0.4
117.03442	1.4
132.02211	0.6
133.02948	0.7
134.03720	20.7
135.04094	1.2
149.06097	2.3
159.02972	0.5
160.01657	2.3
161.02385	0.5
161.04550	0.6
175.03978	2.4
179.03458	0.5
193.05016	22.7
194.05402	2.0
194.69905	0.4
205.04950	0.5
210.92870	0.4
453.29977	0.6
459.34753	0.5
471.31125	1.1
485.32443	2.5
486.33017	0.7
503.33682	19.8
504.34045	2.9
532.90601	0.4
647.38049	3.2
648.38251	0.6
665.38947	100.0
666.39313	23.7
725.22113	0.6
725.33704	3.4
726.34290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.6
57.03431	0.5
59.01092	0.5
59.01375	9.2
61.98808	1.1
71.01375	7.7
71.05029	0.6
72.99294	0.5
73.02935	3.0
75.00855	0.9
79.73177	0.3
83.01376	2.0
84.24094	0.3
85.02946	3.8
87.00855	1.0
87.77615	0.3
89.02444	2.3
89.03966	0.8
96.93533	0.4
96.95972	0.8
99.00873	0.9
101.02431	7.8
103.72653	0.3
113.02451	3.3
117.03463	1.8
121.02928	0.5
124.66666	0.3
132.02138	0.9
133.02989	0.3
134.03725	27.6
135.04114	1.2
149.06071	3.3
151.04012	0.5
160.01640	3.5
161.02347	1.0
175.04016	3.3
178.02705	0.4
179.03468	1.0
191.03409	0.3
193.05029	31.8
194.05389	2.9
274.53848	0.4
356.12402	0.4
443.32037	0.4
453.29907	0.9
459.34668	0.5
471.30817	1.3
478.70618	0.4
485.32452	3.8
486.33173	0.6
501.32263	1.1
503.33698	19.7
504.34109	3.3
647.38019	3.1
648.37769	0.5
665.38959	100.0
666.39282	21.2
689.28357	0.9
725.34033	5.6
726.34082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43378	0.2
53.25600	0.2
53.63407	0.2
59.01373	31.4
60.01711	0.4
61.98820	0.6
67.16472	0.2
69.31999	1.9
71.01363	1.7
71.05018	0.6
73.02944	0.3
83.01394	0.2
85.02930	0.4
87.00902	0.2
89.02421	1.3
93.03465	0.3
96.95988	1.2
101.02428	1.1
113.02441	0.5
116.92850	1.0
119.03492	0.5
119.05013	0.4
121.02940	0.4
125.02421	0.3
127.89452	0.2
132.02171	0.7
133.02948	0.7
134.03719	2.3
135.04535	1.5
149.02370	0.5
149.06071	0.3
160.01643	3.1
161.02420	1.5
161.04567	0.2
164.04781	0.7
173.04588	0.4
175.03954	2.3
179.03474	1.3
185.09151	0.2
193.05061	1.7
210.37669	0.2
223.06067	1.0
312.88449	0.2
407.29697	0.3
409.30820	0.5
421.31381	0.5
423.28809	0.3
443.31592	0.6
453.29999	1.9
454.30273	0.6
459.34607	0.7
485.32635	6.4
486.33066	1.1
503.33704	100.0
504.34055	18.9
504.41766	0.4
542.88782	0.2
545.34790	0.7
641.47101	0.2
663.27594	0.3
665.39349	1.5
666.38922	0.4
725.30438	4.3
725.41449	0.8
726.30719	1.0
726.41669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
56.90335	0.5
57.03439	0.6
59.01089	0.8
59.01373	12.2
61.98814	1.1
71.01379	10.6
71.62505	0.7
71.96534	0.6
72.99286	1.0
73.02938	2.9
75.00862	1.3
82.50342	0.5
83.01379	2.9
85.02941	5.0
87.00841	1.1
88.42304	0.5
89.02419	3.1
93.03424	1.5
95.01361	1.1
96.95995	1.9
99.00865	1.9
101.02425	13.1
113.02438	5.0
117.03434	2.2
119.03481	1.2
120.03236	0.5
128.10910	0.5
133.02902	0.8
134.03729	25.3
135.04408	2.2
149.06032	2.3
151.03983	1.0
156.34996	0.6
160.01624	3.1
161.02394	2.0
161.04535	1.3
173.04495	2.1
175.03955	2.9
179.03406	1.7
193.05025	31.9
194.05356	2.7
209.83882	0.5
211.58281	0.5
279.60687	0.6
409.31125	2.6
421.30557	0.7
441.33618	1.2
453.29965	0.9
456.55484	0.5
457.33307	1.7
459.34799	1.3
470.67758	0.6
471.31058	0.8
483.30853	0.6
485.32813	1.6
501.31882	0.7
503.33710	12.2
504.34015	2.1
592.79749	0.6
665.38959	100.0
666.39233	23.4
689.28412	0.7
707.30872	0.9
712.39795	0.6
725.33350	7.5
726.34119	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	727.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.6
59.01370	33.1
65.11533	1.2
66.58784	1.3
67.01881	4.7
68.99795	1.8
69.03443	14.3
69.24204	1.3
69.60323	1.2
71.01373	18.9
71.60120	1.5
72.01755	1.3
72.71978	1.4
72.99300	2.8
73.02937	14.3
81.03433	5.2
83.01389	6.7
83.01820	1.2
83.05015	3.4
85.02942	59.9
86.03283	1.2
87.00867	100.0
88.01237	1.6
89.02422	2.3
93.03442	8.9
95.01369	19.7
96.96003	2.1
97.02948	28.4
98.03259	1.3
99.00864	2.0
99.04520	4.2
101.02430	2.9
103.03992	10.4
109.02953	8.0
110.38054	1.3
111.00889	7.5
111.04529	2.0
113.02447	19.8
115.00367	10.8
115.04028	2.1
125.02416	2.3
127.04013	19.0
129.01953	1.7
135.04518	2.8
137.02434	2.0
139.00349	15.8
141.05560	1.7
145.05026	7.9
149.44681	1.5
155.03491	2.5
157.01389	9.9
169.05066	4.4
171.02977	1.4
173.04527	5.7
175.02466	59.2
176.02802	1.6
181.01367	2.9
191.05557	3.6
199.02443	37.0
200.02826	1.7
207.88510	1.2
213.04010	1.8
217.03523	21.6
223.06148	3.3
259.08279	1.4
285.06116	2.4
303.07196	19.4
304.07550	2.0
321.08215	8.0
345.08246	11.0
373.90778	1.5
387.09253	22.7
388.09122	1.8
405.10437	5.9
581.13031	1.5
623.14490	6.6
662.71838	1.4
685.19403	2.8
709.18152	18.6
710.18445	4.6
727.19305	26.6
728.19861	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	727.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
58.00577	0.8
59.01374	43.0
60.58025	0.6
69.93931	3.0
71.01372	24.8
71.97345	0.5
72.99292	1.6
73.02934	13.7
80.43114	0.7
83.01374	5.1
85.02946	7.0
87.00879	1.7
89.02431	13.2
93.03481	0.8
95.01369	2.4
96.95981	0.8
98.20164	1.8
99.00867	1.1
101.02431	18.0
113.02441	14.0
119.03564	4.5
119.05016	20.2
120.05361	0.8
121.48493	0.6
125.02409	0.8
128.76740	0.6
131.03494	1.7
132.02092	0.7
133.02937	24.2
134.03387	0.7
135.04504	12.0
135.32364	0.6
137.06076	1.7
143.03514	1.8
149.04544	2.4
152.14824	0.6
153.58093	0.7
155.03525	0.7
161.02423	100.0
161.04572	5.2
162.02769	4.9
163.04227	0.6
177.05544	0.9
179.03484	19.2
179.05531	1.8
180.03799	1.3
191.05560	3.3
203.03458	3.5
221.04593	1.2
221.06607	0.7
251.05605	1.2
281.07172	0.9
281.10263	32.2
282.10590	2.5
299.11353	5.2
341.08722	45.0
341.12387	32.9
342.09232	4.2
342.12302	3.4
358.21939	0.5
645.77649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	30.2
60.01698	0.4
69.59419	1.9
69.59829	1.3
71.01376	14.3
72.99292	0.7
73.02940	12.6
83.01371	3.4
85.02943	4.3
85.35918	0.5
87.00858	1.0
89.02434	7.2
95.01372	1.2
98.20007	1.5
99.00919	0.5
101.02425	13.6
105.03487	0.5
113.02431	9.0
113.03136	0.8
117.23977	0.5
119.03540	2.9
119.05010	14.2
120.05335	0.5
130.40181	0.5
131.03529	1.1
132.02165	1.4
133.02943	24.0
134.03313	1.0
135.03484	0.9
135.04514	16.1
137.06038	1.2
143.03505	1.1
149.04532	1.8
149.06062	1.1
156.35326	0.5
161.02426	100.0
161.04564	4.2
162.02744	4.6
164.91087	0.5
177.05516	1.1
179.03471	25.9
180.03827	1.8
191.05525	0.8
203.03484	1.5
221.04462	1.3
221.06601	1.1
221.25327	0.5
240.57428	0.5
251.05583	0.6
256.20984	0.5
281.07025	0.9
281.10251	17.2
282.10580	1.8
299.11319	3.5
341.08704	45.5
341.12433	25.2
342.09326	3.9
342.12204	3.5
349.09433	0.5
357.12067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24373	0.5
58.00566	0.6
59.01371	21.1
69.32906	3.3
69.33334	1.7
71.01369	9.4
73.02938	6.0
83.01376	2.2
85.02950	1.8
87.00819	0.5
87.63901	0.5
89.02434	5.2
95.01400	1.4
101.02431	8.8
104.69421	0.7
105.30892	0.5
106.82050	0.5
113.02444	6.1
119.03493	2.2
119.05009	8.5
132.02142	0.8
133.02933	23.4
134.03285	0.8
134.16527	0.5
135.04501	8.0
143.03543	0.8
149.04567	1.2
161.02417	100.0
161.04587	2.8
162.02750	5.3
177.05545	1.2
179.03470	16.0
180.03731	0.7
192.15779	0.5
203.03493	2.2
221.04637	1.1
221.06625	1.0
281.07025	1.2
281.10239	17.6
282.10608	1.2
299.11353	2.8
341.08722	46.4
341.12460	16.7
342.09024	4.4
342.12796	2.0
343.24930	0.5
367.58542	0.7
374.71204	0.6
383.46356	0.6
427.59500	0.6
465.79169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17449	0.7
58.00576	0.7
59.01373	34.2
59.37840	0.6
62.46028	0.5
63.91494	0.7
69.03436	1.1
71.01375	19.4
71.60799	1.0
72.99312	1.2
73.02940	13.7
75.01745	0.7
81.72343	0.7
83.01392	3.4
85.02937	7.9
87.00874	2.4
89.02439	11.6
93.03445	4.8
95.01352	1.3
96.96013	0.7
99.04486	0.8
101.02435	16.8
109.02964	1.0
113.02431	10.3
119.03569	3.8
119.05009	17.3
120.05386	1.0
129.05719	0.7
131.03462	1.4
133.02940	28.9
134.03778	1.3
135.04510	32.2
136.04881	1.6
137.06010	1.1
143.03477	1.8
149.04530	2.9
149.06133	0.9
161.02425	100.0
161.04570	3.9
162.02769	4.2
163.04016	1.0
167.88318	0.8
173.04504	2.9
175.04060	0.8
177.01909	1.5
177.05536	2.1
179.03474	48.3
180.03821	2.6
191.05582	41.1
192.05917	2.7
199.39352	0.7
203.03534	3.0
205.57916	0.7
215.05618	3.1
221.04430	1.6
221.06566	0.8
281.06738	2.2
281.10223	24.3
282.10471	1.6
289.10007	0.8
289.13162	0.7
299.11264	4.5
323.56598	0.8
341.08710	54.0
341.12433	30.1
342.09055	6.0
342.12683	3.2
347.62650	0.7
351.07123	4.6
353.08792	4.6
354.08969	0.9
375.06833	1.2
389.10901	2.6
685.90204	0.8
745.33356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03442	1.9
58.00576	1.9
59.01372	100.0
60.01703	1.2
69.03440	1.2
71.01374	60.2
71.59930	1.0
71.60326	1.4
72.99300	2.6
73.02938	31.1
76.19375	0.8
78.60741	1.0
80.62936	0.8
82.54251	0.9
83.01385	9.4
85.02940	21.3
86.03290	0.9
87.00852	4.7
89.02436	30.6
90.48544	0.9
95.01374	7.1
97.02972	1.4
99.00876	2.1
101.01762	2.0
101.02430	35.6
113.02434	43.5
119.03549	12.1
119.05006	44.5
120.05357	1.8
125.02436	1.4
131.02586	0.9
131.03481	3.8
133.02950	3.2
135.04510	1.6
137.06046	2.8
143.03470	3.5
146.38214	0.8
149.04536	3.9
161.02440	12.5
161.04495	11.0
162.02821	0.9
179.03499	3.4
179.05545	6.2
191.05589	3.0
221.06500	2.1
281.10248	93.9
282.10623	8.9
299.11368	11.3
300.11646	1.4
341.12415	86.2
342.12744	7.7
659.03613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
58.00580	2.5
59.01371	100.0
68.83186	1.1
69.03430	1.3
71.01371	58.6
71.60462	1.7
72.01709	1.4
72.99284	2.7
73.02932	33.4
75.27921	1.0
78.95883	3.8
83.01382	10.0
85.02941	14.1
87.00867	2.2
87.13170	1.1
89.02435	27.5
95.01407	5.5
99.00851	2.6
101.02428	40.7
111.00842	1.4
113.02437	34.6
114.02727	1.7
119.03557	10.6
119.05003	48.7
120.05317	2.3
131.03482	2.9
133.02010	1.7
133.02934	19.8
135.04510	8.0
137.06071	3.2
141.09337	1.1
143.03458	4.9
149.04514	5.8
151.02621	1.1
151.07681	1.4
155.95407	1.0
161.02422	71.1
161.04419	12.4
162.02739	4.6
162.04855	1.3
179.03471	13.7
179.05571	5.1
191.05557	3.6
221.06702	1.6
226.84570	1.1
265.08432	5.6
281.10254	75.6
281.72281	1.3
282.10660	6.1
299.11304	10.1
341.08664	23.8
341.12228	96.8
342.09015	3.5
342.12863	8.4
344.96368	1.2
407.15637	2.0
609.05450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
57.21768	0.4
58.00574	1.6
58.61040	0.4
59.01371	46.8
61.98808	0.7
68.25145	0.5
69.32642	3.5
71.01373	27.4
72.99287	2.2
73.02927	1.0
83.01366	1.5
85.02943	5.5
87.00854	1.3
88.98787	3.5
89.02435	26.3
90.02750	0.6
93.03421	0.5
95.01371	2.3
96.95975	1.0
99.00856	0.6
101.02431	19.3
106.56634	0.4
106.62062	0.4
107.05006	1.1
107.58358	0.4
109.02950	1.2
113.02429	11.5
114.02761	0.6
119.02637	0.7
119.03481	11.4
119.04978	1.3
123.04514	3.1
131.03497	0.8
133.02870	0.9
134.03723	0.9
135.04506	54.9
136.04855	2.6
143.03456	1.2
144.59171	0.4
149.04463	0.7
149.06046	0.4
153.01894	1.0
153.05566	3.4
161.02434	2.2
161.13309	1.5
164.04697	0.5
175.00299	0.5
175.03981	0.5
179.03540	0.9
179.05582	1.1
187.11226	3.6
190.02678	0.9
193.05089	0.6
205.04974	1.8
205.12285	0.8
229.12267	1.0
297.09756	3.2
315.10800	100.0
316.11127	8.5
359.14615	0.5
367.10147	1.4
409.85327	0.5
411.16425	0.5
501.13724	0.5
503.22784	12.2
504.23053	2.0
547.21729	29.9
548.22083	6.9
555.46881	0.4
727.28058	29.8
728.28455	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	727.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99860	0.4
54.89424	0.5
55.01898	0.5
57.03450	0.6
58.00581	1.9
59.01373	47.7
60.01698	1.5
61.98824	100.0
67.05916	0.5
68.99818	0.8
69.03497	0.8
71.00984	1.2
71.01376	22.0
71.04996	0.6
72.99306	2.0
73.02946	1.9
78.63272	0.5
83.01386	2.1
85.02945	5.8
87.00841	1.1
89.02433	23.6
93.03440	1.1
95.01393	1.7
96.96020	0.8
98.19802	0.7
99.00880	0.9
101.02431	16.9
107.05029	1.1
111.00908	0.7
113.02428	10.4
119.03483	8.9
119.05020	1.9
121.02977	0.7
123.04532	1.9
125.02486	0.5
133.02936	3.6
134.03734	5.6
135.04509	60.0
136.04897	2.1
143.03503	0.9
149.02443	1.0
149.04578	1.0
149.06094	1.6
150.03223	1.9
151.03970	0.7
153.05580	2.3
153.09203	0.6
160.01678	0.9
161.02429	9.7
161.04567	1.3
161.13371	1.4
163.03986	1.2
165.05591	2.2
173.05971	0.6
175.04008	2.1
178.02675	1.1
179.03484	11.3
179.05618	0.9
187.11252	3.1
191.05511	0.9
193.02490	0.5
193.05045	4.6
195.06589	1.2
204.79774	0.5
205.12241	1.0
215.03723	0.5
229.12433	0.6
291.06500	0.7
297.09787	3.5
307.08530	0.7
315.10809	76.0
316.11111	6.3
319.93988	0.5
400.18207	0.5
409.30850	0.5
410.31522	0.7
454.30588	0.6
454.90292	0.6
455.30881	0.6
463.37259	0.6
485.32904	0.6
486.33246	1.5
487.33554	0.9
503.22800	7.6
503.33722	10.6
504.23138	1.4
504.34055	27.1
505.34344	18.9
506.34814	1.7
547.21771	33.2
548.22058	7.0
565.26660	1.1
665.28070	16.4
684.23151	0.6
727.28821	23.5
728.28662	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	727.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43348	0.3
55.03896	0.3
59.01376	3.2
61.98821	9.6
69.36415	2.8
71.01373	2.4
72.99287	0.4
73.02931	0.9
74.58967	0.3
79.31488	0.3
82.95411	1.1
83.01370	0.7
85.02936	0.9
87.00889	0.4
88.98801	0.4
89.02435	0.8
89.03947	1.8
95.01408	0.4
96.96008	1.2
98.13130	0.3
98.19866	0.5
99.00906	0.4
101.02436	2.1
106.04248	0.4
111.00862	0.7
113.02447	1.0
117.03445	6.8
118.03819	0.4
119.05017	1.1
132.02151	2.8
133.02982	2.0
134.03726	93.5
135.04594	8.7
136.04886	0.5
137.06117	0.3
145.02878	0.9
149.02414	0.6
149.06055	7.6
150.06409	0.5
159.17007	0.3
160.01642	9.6
161.02446	5.3
163.03999	0.5
165.05386	0.4
175.03986	10.0
176.04376	0.6
178.02698	0.7
179.03477	5.2
183.10254	1.2
183.22685	0.3
193.05028	100.0
194.05373	7.1
201.41783	0.3
225.11192	0.5
255.12404	0.5
266.82941	0.3
291.08762	0.8
370.30811	0.3
419.26511	1.0
505.34991	0.7
533.29730	2.7
534.29907	0.4
561.01093	0.3
666.39398	0.4
667.39630	2.7
668.39740	0.4
689.28754	0.4
691.29651	5.8
692.30103	1.4
727.35376	22.2
728.36133	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	727.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.03428	1.0
59.01367	11.8
61.98820	6.1
66.76575	0.7
68.41935	0.8
70.66483	2.1
71.01371	26.9
73.02943	9.0
75.00866	1.3
83.01373	3.5
85.02940	10.8
85.30813	0.8
87.00857	1.5
88.98796	1.3
89.02444	8.6
95.01376	2.0
96.96011	3.5
97.02925	1.2
99.00883	6.9
99.94317	0.8
101.02424	16.3
113.02424	10.7
119.05011	1.0
121.02965	1.3
125.02427	1.4
131.03438	1.0
133.02965	1.5
134.03719	3.5
135.04526	8.0
143.03474	1.4
147.04486	0.9
149.70262	0.8
159.02936	1.8
161.02420	2.9
161.04509	7.7
163.04063	1.3
170.56107	0.9
179.03448	3.5
183.13867	2.9
192.06157	0.8
193.04988	2.8
193.12337	1.0
211.13356	30.4
212.13625	2.6
213.15028	1.3
216.41560	0.9
223.05957	1.2
271.99652	0.9
383.24234	7.1
513.26813	3.4
514.27191	2.8
515.28485	100.0
516.28900	16.0
691.28802	5.1
692.29614	1.2
727.34833	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	728.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02083	0.5
52.79002	0.5
56.32729	0.5
57.42888	0.5
59.01373	5.2
60.99303	1.4
61.98825	29.5
67.01869	0.8
69.27995	4.7
69.28383	1.0
71.01373	5.0
72.89157	0.5
72.99297	0.6
73.02946	1.7
79.14121	0.5
83.01362	0.5
85.02957	3.9
85.46515	0.6
87.00870	1.1
88.98795	5.6
89.02412	3.0
89.03971	0.5
93.03461	2.3
96.96002	2.1
99.00866	1.1
101.02435	3.4
105.03465	0.6
107.05007	1.9
109.02951	0.8
111.00874	0.8
113.02443	2.0
117.03448	1.4
119.05012	1.4
121.02959	2.2
132.02162	1.5
133.02951	15.5
134.03752	10.7
135.04512	100.0
136.04817	6.2
137.02397	0.9
144.20827	0.5
149.02440	1.9
149.06053	0.6
150.03188	0.9
151.04008	0.6
151.93866	0.5
153.09177	1.0
161.02428	44.8
162.02768	3.1
163.03998	1.6
164.04729	2.4
165.05583	1.2
166.05849	0.7
173.04529	4.3
175.00339	2.0
175.03958	0.7
177.05516	0.7
178.02385	0.5
179.03477	57.3
180.03831	4.2
190.02679	5.5
191.05591	30.2
193.05092	3.9
195.06618	0.8
197.08171	0.7
205.05022	3.7
223.06131	1.9
261.05960	1.1
367.10312	1.3
371.14496	0.8
372.15250	0.5
379.37897	0.5
383.09921	0.6
488.35312	0.7
642.91901	0.5
665.28003	82.6
666.28375	18.2
666.36951	0.4
691.29822	1.1
692.29761	2.0
693.31195	4.3
729.27197	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	729.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29124	0.2
59.01374	0.8
67.01881	0.3
69.03436	0.2
70.62040	0.6
71.01372	0.7
79.11724	0.2
79.42517	0.2
81.03459	0.3
81.45184	0.2
83.05025	0.5
85.02944	5.4
87.00867	1.2
90.01630	0.2
93.03448	2.8
94.03718	0.2
96.96008	0.4
99.04506	25.4
100.04837	0.7
104.56966	0.2
109.02918	0.6
111.04495	1.3
113.02442	0.3
119.05014	0.5
127.04002	1.6
133.02946	0.9
134.03728	0.2
135.04510	3.4
136.04854	0.2
137.02390	0.3
145.55302	0.2
151.07625	5.1
152.07962	0.5
155.03505	1.1
161.02397	2.0
163.03976	0.5
171.03004	0.4
173.04526	4.3
174.04872	0.3
179.03471	2.9
191.05579	100.0
192.05916	4.2
201.01584	0.6
201.11301	4.2
202.11658	0.2
264.56763	0.2
307.08206	0.3
353.08710	16.4
354.08972	1.5
375.06921	4.3
375.16568	15.3
376.07126	0.3
376.17004	1.7
445.81195	0.2
497.77460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.9
59.01374	66.8
61.98813	12.5
66.30467	1.9
67.01885	9.9
68.99812	9.5
69.03448	3.9
71.01375	40.5
72.99305	2.5
73.02962	8.3
76.66692	1.6
83.01367	3.7
85.02930	14.2
87.00892	2.0
88.98802	9.7
89.02440	43.8
91.05501	1.8
93.03449	20.9
95.01384	6.6
96.96003	2.9
99.00878	3.1
99.04498	3.1
101.02428	33.3
106.04211	1.7
107.05002	6.5
109.02945	5.7
111.00877	34.4
111.04510	17.0
112.01170	2.4
113.02424	11.5
116.45907	1.6
119.03490	3.5
119.05013	6.2
120.56009	1.7
121.02895	9.2
123.04487	3.1
125.02467	2.7
127.04002	13.3
131.03484	11.9
132.02161	1.6
133.02939	23.9
134.03741	28.3
135.04514	68.7
136.01591	2.7
136.04836	3.6
136.62692	1.5
137.02434	34.2
137.06027	2.8
139.00337	19.4
139.03993	5.4
140.01114	2.2
143.03484	2.7
145.02934	3.4
147.04509	2.5
149.02455	7.0
149.04532	23.8
149.05931	2.8
150.03154	4.8
151.03954	4.9
151.07620	3.2
152.71278	1.7
153.01956	3.1
153.05566	13.8
155.03488	4.4
159.04491	4.5
161.02417	25.9
161.04460	2.3
162.03209	26.2
163.03996	17.9
165.01898	5.3
165.05551	4.0
173.04547	4.0
173.05928	2.2
175.03970	2.4
177.01944	2.5
177.05499	14.2
178.02698	14.8
179.03484	46.9
179.05090	2.4
180.03929	3.1
181.08669	2.2
189.01872	1.7
191.05612	6.9
193.05029	8.9
195.06587	27.3
199.04002	3.2
204.04153	2.2
205.05008	2.7
207.03006	3.6
211.03879	2.9
215.03433	2.0
223.05870	1.5
227.03535	2.3
228.04135	3.3
239.03558	3.5
239.05663	4.4
256.03827	8.8
257.04465	4.6
258.04968	1.8
271.06119	27.9
272.06830	9.5
273.07614	15.1
274.07938	1.7
275.05569	11.3
279.06647	2.4
281.06592	2.2
285.04041	5.2
285.07593	6.1
286.08420	21.4
287.09100	14.3
294.09012	2.1
295.05878	2.3
299.61917	2.3
307.08179	66.2
308.08600	8.0
311.09586	4.8
315.08713	17.7
315.58276	1.7
316.08939	2.9
333.09702	12.5
341.10013	2.5
343.08121	2.9
369.09738	12.9
370.10242	2.0
371.11273	4.1
375.10822	10.1
403.09833	1.7
425.12332	4.6
426.24313	2.1
435.13196	22.9
436.13422	4.0
465.15414	2.2
519.16541	12.5
520.16443	2.2
531.16455	5.0
549.17560	7.5
550.69885	1.8
567.18921	3.3
593.17493	2.8
597.17822	2.5
645.21960	7.4
646.20911	2.2
666.20593	8.7
729.23798	100.0
730.23853	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.9
59.01374	66.8
61.98813	12.5
66.30467	1.9
67.01885	9.9
68.99812	9.5
69.03448	3.9
71.01375	40.5
72.99305	2.5
73.02962	8.3
76.66692	1.6
83.01367	3.7
85.02930	14.2
87.00892	2.0
88.98802	9.7
89.02440	43.8
91.05501	1.8
93.03449	20.9
95.01384	6.6
96.96003	2.9
99.00878	3.1
99.04498	3.1
101.02428	33.3
106.04211	1.7
107.05002	6.5
109.02945	5.7
111.00877	34.4
111.04510	17.0
112.01170	2.4
113.02424	11.5
116.45907	1.6
119.03490	3.5
119.05013	6.2
120.56009	1.7
121.02895	9.2
123.04487	3.1
125.02467	2.7
127.04002	13.3
131.03484	11.9
132.02161	1.6
133.02939	23.9
134.03741	28.3
135.04514	68.7
136.01591	2.7
136.04836	3.6
136.62692	1.5
137.02434	34.2
137.06027	2.8
139.00337	19.4
139.03993	5.4
140.01114	2.2
143.03484	2.7
145.02934	3.4
147.04509	2.5
149.02455	7.0
149.04532	23.8
149.05931	2.8
150.03154	4.8
151.03954	4.9
151.07620	3.2
152.71278	1.7
153.01956	3.1
153.05566	13.8
155.03488	4.4
159.04491	4.5
161.02417	25.9
161.04460	2.3
162.03209	26.2
163.03996	17.9
165.01898	5.3
165.05551	4.0
173.04547	4.0
173.05928	2.2
175.03970	2.4
177.01944	2.5
177.05499	14.2
178.02698	14.8
179.03484	46.9
179.05090	2.4
180.03929	3.1
181.08669	2.2
189.01872	1.7
191.05612	6.9
193.05029	8.9
195.06587	27.3
199.04002	3.2
204.04153	2.2
205.05008	2.7
207.03006	3.6
211.03879	2.9
215.03433	2.0
223.05870	1.5
227.03535	2.3
228.04135	3.3
239.03558	3.5
239.05663	4.4
256.03827	8.8
257.04465	4.6
258.04968	1.8
271.06119	27.9
272.06830	9.5
273.07614	15.1
274.07938	1.7
275.05569	11.3
279.06647	2.4
281.06592	2.2
285.04041	5.2
285.07593	6.1
286.08420	21.4
287.09100	14.3
294.09012	2.1
295.05878	2.3
299.61917	2.3
307.08179	66.2
308.08600	8.0
311.09586	4.8
315.08713	17.7
315.58276	1.7
316.08939	2.9
333.09702	12.5
341.10013	2.5
343.08121	2.9
369.09738	12.9
370.10242	2.0
371.11273	4.1
375.10822	10.1
403.09833	1.7
425.12332	4.6
426.24313	2.1
435.13196	22.9
436.13422	4.0
465.15414	2.2
519.16541	12.5
520.16443	2.2
531.16455	5.0
549.17560	7.5
550.69885	1.8
567.18921	3.3
593.17493	2.8
597.17822	2.5
645.21960	7.4
646.20911	2.2
666.20593	8.7
729.23798	100.0
730.23853	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03432	0.2
57.82945	0.2
59.01374	3.3
60.99300	1.0
61.98823	2.1
67.01877	0.4
68.99792	0.8
69.03458	0.4
69.42582	0.2
69.42925	1.4
71.01372	2.9
72.99286	0.2
73.02935	0.6
76.81879	0.2
81.03426	0.3
83.04996	0.4
85.02943	6.3
87.00867	1.6
88.98799	4.7
89.02435	2.1
93.03448	3.1
96.95995	0.4
99.00830	0.2
99.04480	0.4
101.02432	1.9
102.67550	0.2
105.88928	0.2
108.02133	0.2
109.02941	0.8
111.00863	0.5
111.04517	1.1
113.02454	0.9
119.03479	0.8
119.05003	0.4
120.97155	0.2
121.02935	0.2
121.57114	0.2
123.04494	0.2
125.23259	0.2
127.04003	2.2
133.02924	0.7
134.03735	2.6
135.04518	2.6
137.02423	0.5
139.00352	0.2
139.03973	0.2
141.19194	0.2
143.03456	0.4
145.02908	0.2
149.02383	0.4
149.06010	0.4
150.03185	0.3
151.07622	0.5
153.01942	0.2
153.55115	0.2
155.03465	0.3
159.79053	0.2
160.01582	0.2
161.02415	1.8
162.03018	0.5
163.03925	0.3
164.04723	0.3
165.05548	0.2
171.02948	0.6
172.60257	0.2
173.04515	2.9
175.00264	0.3
177.02023	0.2
177.05544	0.3
179.03505	1.8
179.05060	0.3
179.05447	0.2
180.03862	0.2
190.02643	0.5
191.05580	100.0
192.05922	4.3
193.05016	2.5
194.05457	0.3
205.05084	0.5
223.06143	0.3
249.23808	0.2
259.09631	0.4
261.06073	1.5
291.08630	1.0
339.08890	0.2
341.48257	0.2
367.10257	2.9
666.28070	1.0
669.40588	1.0
691.29755	0.6
693.30457	1.2
694.32239	0.3
729.26892	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	729.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78474	0.3
59.01361	0.6
63.59288	0.4
68.67233	0.3
71.06182	0.6
81.03436	0.3
83.05013	0.7
85.02952	2.4
85.66125	0.3
87.00874	0.9
91.54501	0.3
93.03450	4.0
99.04507	100.0
100.04840	3.1
111.04510	2.8
119.05053	0.5
127.04022	0.6
133.02933	0.8
135.04527	4.1
137.02409	0.7
155.03496	2.7
160.43492	0.3
161.02429	0.8
173.04518	9.7
173.05992	0.5
174.04845	0.5
179.03493	2.7
181.05038	0.4
183.10129	1.8
191.05585	32.3
192.05954	1.3
201.01656	0.5
201.11296	16.6
202.11607	1.5
204.94887	0.3
237.58138	0.3
277.94565	0.3
353.08691	6.7
354.09219	0.9
375.06876	4.5
375.16531	59.0
376.07135	0.4
376.16910	7.2
638.36615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
67.01881	0.3
69.03455	0.2
69.49220	1.1
71.01376	0.6
73.02933	0.2
83.05014	0.4
85.02939	5.6
87.00874	1.2
90.99902	0.2
93.02908	0.3
93.03448	2.4
95.01389	0.1
98.78754	0.1
99.00885	0.2
99.04504	0.7
109.02940	0.4
111.04492	0.7
127.04030	1.5
133.02945	0.6
135.04509	0.6
137.02391	0.3
161.02432	2.1
162.02843	0.2
171.02986	0.4
171.34219	0.2
173.04521	3.2
179.03453	0.6
191.05585	100.0
192.05925	3.6
193.26878	0.1
201.11414	0.2
353.08719	22.5
354.09088	2.2
366.57452	0.2
375.16534	1.1
459.26187	0.2
690.84290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61802	0.2
57.22787	0.2
59.01372	2.2
69.03465	0.2
69.78952	0.5
69.79367	0.4
71.01379	1.4
73.02929	0.5
78.95893	100.0
83.01382	0.2
83.70174	0.2
85.02926	0.3
87.00886	0.2
89.02448	0.5
96.96942	7.5
101.02428	0.8
113.02436	0.8
118.79989	0.2
119.04987	0.8
120.05363	0.2
133.02957	1.2
134.03293	0.3
135.04501	0.5
136.04803	0.3
161.02420	4.9
161.04448	0.3
162.02768	1.5
163.02913	0.3
179.03447	0.7
180.03804	0.4
191.05602	0.5
249.08862	1.0
259.99246	0.2
267.09979	66.8
268.10306	4.3
281.10303	1.0
282.10641	0.3
283.10925	0.3
341.08658	1.3
341.12418	0.8
342.09012	1.1
342.12711	0.4
343.09158	1.2
346.50616	0.2
389.10983	0.6
461.16577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	4.7
60.32881	0.9
60.99290	1.1
61.98823	15.3
67.01892	1.7
68.27992	0.7
69.62533	3.5
71.01377	7.6
73.02964	1.2
80.28706	0.7
81.03405	0.8
85.02943	5.5
87.00871	1.6
88.98793	5.9
89.02433	2.2
93.03437	6.2
95.01373	1.6
96.95992	3.5
101.02438	3.5
107.04994	0.8
108.02164	1.8
109.02947	2.8
111.04483	1.3
113.02470	1.3
116.92876	1.0
119.05032	1.4
121.02940	3.3
122.03687	1.3
123.00861	2.4
123.04510	1.9
125.02389	1.3
127.04001	1.4
133.02924	3.2
134.03741	3.9
135.04512	11.0
136.01645	49.7
137.02457	7.8
139.03951	2.7
145.02963	0.8
147.04425	0.8
147.65225	0.8
149.02457	1.4
149.06085	1.4
150.03178	0.9
151.00362	9.0
151.03989	74.7
152.01036	1.2
152.04402	3.8
153.09175	1.3
155.03386	1.1
159.04497	0.8
160.01662	0.8
160.05275	1.8
161.02420	7.6
161.06026	0.9
162.03082	1.9
163.03973	2.9
163.14931	0.8
165.01843	0.8
165.05569	1.0
166.02689	35.0
167.03267	3.0
167.52480	0.7
173.02298	1.0
173.04533	24.0
173.06021	1.8
174.03186	1.2
175.03957	1.7
175.07486	1.3
176.04770	1.4
177.01898	2.1
177.05478	1.2
179.03436	5.0
179.07069	1.2
181.05043	53.6
182.05339	3.1
189.05519	2.4
190.06371	1.9
191.03679	2.3
191.05574	31.6
191.07269	1.2
192.04147	0.8
192.05896	1.5
193.04987	3.7
195.06628	1.0
197.08113	1.0
203.03523	1.0
205.05003	4.1
205.08698	2.1
206.05803	3.9
207.06473	1.2
218.13051	0.7
220.07339	1.6
221.06274	1.3
221.08174	10.7
222.08447	1.1
235.38330	0.8
261.06021	4.5
262.06396	0.9
282.05197	1.1
296.06985	1.0
308.06543	0.9
309.07657	2.1
310.08408	0.9
324.09946	1.6
327.08588	1.6
327.12164	1.2
329.10391	2.5
342.10968	5.7
343.11517	1.6
357.09601	13.0
357.13431	33.4
358.09955	1.8
358.13925	2.8
367.10062	1.4
369.13342	3.1
370.13486	0.9
371.15009	1.9
372.12054	13.4
373.12585	3.3
387.14426	100.0
388.14786	11.4
401.16095	1.5
537.21259	12.9
538.21570	2.5
540.03271	0.7
549.21082	2.7
567.22266	77.0
568.22552	15.1
604.06201	0.8
666.28522	2.4
667.28815	1.0
669.41010	1.8
691.29370	1.4
693.31537	4.2
729.30200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.4
61.98824	9.8
65.45587	0.4
71.01371	4.5
71.62576	0.8
72.99280	0.5
73.02948	1.4
75.00848	0.7
78.91878	0.7
85.02948	1.3
89.02443	2.7
93.03442	1.4
95.01405	0.7
96.95992	6.5
98.95557	0.9
99.00877	1.6
101.02452	1.7
107.05024	2.9
109.02920	0.5
113.02396	1.2
117.03469	1.5
119.05019	1.9
121.02946	1.0
123.04476	0.6
132.02158	1.0
133.02939	16.0
134.03767	9.0
135.04510	100.0
136.01668	1.2
136.04846	4.8
137.02483	0.8
147.04483	0.6
149.02429	1.9
150.03197	1.6
151.04083	0.7
153.01862	0.6
161.02422	47.4
162.02812	2.7
163.03966	2.2
164.04720	1.6
165.05322	0.9
173.04460	1.3
179.03471	54.4
180.03773	2.8
182.55350	0.5
190.06236	0.5
193.04974	2.6
195.06575	0.7
197.08182	0.6
207.80801	0.5
223.06036	2.2
224.06375	1.6
227.96571	0.5
245.30495	0.6
367.11395	0.5
414.85446	0.6
501.14856	0.6
523.28986	2.8
533.18268	1.5
553.47729	0.6
583.98260	0.6
663.37195	1.0
666.27911	1.3
691.29559	5.3
692.30176	0.9
693.31140	77.2
694.31451	19.3
694.43573	1.0
711.25739	0.7
729.23975	0.9
729.36194	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	729.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03436	1.3
58.00583	0.6
59.01375	12.3
71.01375	11.4
71.05017	1.6
72.99304	0.6
73.02934	2.2
75.00839	0.6
83.01373	2.0
85.02925	4.4
89.02419	4.1
93.03470	0.8
95.01383	1.5
98.20654	1.0
101.02439	8.0
104.81435	0.6
107.79404	0.5
111.08211	0.5
113.02440	3.2
119.03481	1.6
119.04991	0.6
143.03459	0.6
155.10742	0.9
157.12453	0.6
161.02478	1.2
163.03967	1.3
165.09138	1.3
173.04530	0.8
183.10223	2.3
185.11850	1.4
191.05540	3.1
201.11281	6.5
202.11592	0.7
203.12857	2.1
258.54623	0.5
310.45325	0.5
327.63495	0.6
345.15695	3.2
347.17007	4.9
348.17499	0.6
353.41391	0.6
363.16553	100.0
364.16888	11.7
365.18079	27.8
366.18298	2.1
387.16577	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	729.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.0
59.91435	0.3
61.98824	0.7
69.58116	2.1
71.01366	0.8
81.79350	0.3
83.05023	0.7
89.02442	0.5
93.03422	0.3
96.95999	0.8
97.06600	0.4
101.02447	0.4
102.03204	0.3
133.02989	0.6
135.04509	1.1
141.01695	0.4
161.02441	1.3
161.04617	0.3
177.12842	3.3
179.03473	1.2
195.13872	100.0
196.14220	6.6
203.10742	0.9
239.12851	99.6
240.13177	7.1
265.40924	0.4
359.61957	0.3
434.88440	0.3
566.17297	0.4
669.22803	0.7
670.22980	0.4
693.31238	0.9
729.25543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01715	1.7
61.82170	0.5
61.98827	2.8
62.09535	0.5
68.80432	0.6
69.43015	2.8
69.43436	1.5
71.01372	12.7
72.99306	0.9
73.02924	3.0
83.01384	1.1
85.02941	5.6
87.00825	0.5
89.02432	3.5
93.03447	0.8
95.01379	1.4
96.96005	10.3
97.02939	0.8
99.00883	1.9
101.02428	8.3
108.82030	0.6
111.82101	0.6
113.02432	5.4
119.03495	1.2
133.02956	2.9
134.03755	0.6
135.04515	8.5
136.04811	0.6
137.02464	0.7
149.02467	0.7
159.03024	0.8
161.02438	7.8
161.04495	3.7
162.02747	0.6
163.04044	0.9
172.85092	0.6
179.03464	7.0
180.03923	0.7
206.73027	0.6
209.12048	0.6
211.13405	1.1
227.06816	0.7
229.14513	0.9
231.10425	0.6
299.11536	0.9
315.18069	9.4
316.18536	0.7
327.21756	3.5
357.19226	4.6
474.41565	0.5
531.22284	4.5
532.22296	0.8
555.28674	0.6
693.31360	3.8
694.31659	0.7
729.33093	0.9
736.84161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21486	0.2
61.26629	0.2
61.98823	100.0
70.75372	0.5
70.75738	0.5
71.31586	0.3
71.93250	0.2
126.71116	0.2
171.10262	0.3
172.10567	0.2
521.60712	0.2
602.25403	0.2
731.37775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.8
59.01373	30.2
62.61692	0.5
65.03968	0.7
69.03449	23.6
71.01372	11.9
71.61126	0.9
71.61486	0.8
72.66428	0.6
72.99314	0.9
73.02938	1.0
85.02931	2.1
89.02437	11.3
95.01381	1.4
95.05007	7.5
101.02435	6.9
106.04221	2.1
113.02434	6.0
119.03490	4.5
119.05001	1.4
121.02943	3.4
121.06573	15.0
123.04526	1.4
132.02103	1.0
133.02940	22.5
134.03300	1.3
135.04510	9.4
136.04863	0.7
139.00354	2.7
139.07634	4.0
143.57307	0.7
161.02428	100.0
162.02774	6.4
165.05557	6.5
177.05534	1.5
179.03488	15.0
179.05246	0.9
180.03868	0.8
183.06577	1.7
191.05659	0.8
203.03497	2.1
209.04541	4.4
209.08379	0.6
221.04567	1.2
272.20633	0.6
280.68192	0.6
281.06711	1.3
341.08701	53.8
342.09076	5.3
343.09296	0.7
345.11966	6.9
389.10828	73.1
390.11194	7.6
703.81439	0.6
750.78961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.5
61.98824	8.7
62.47574	0.6
70.89585	1.1
70.89924	0.9
71.01369	2.5
73.02921	0.8
75.79337	0.6
85.02930	0.9
89.02439	1.0
93.03466	1.9
96.61821	0.6
96.95995	0.9
98.02455	1.1
101.02425	1.1
109.02966	1.1
112.19292	0.7
113.02404	1.0
117.03454	1.8
119.05014	2.7
121.02950	7.8
128.03535	1.0
132.02151	2.1
133.02948	36.4
134.03777	4.1
135.04517	33.5
136.01665	1.0
136.04852	1.4
137.02428	1.6
145.03014	0.8
149.02431	1.5
149.06116	0.9
150.03209	0.9
151.03999	0.9
153.09181	5.7
160.01692	1.5
161.02429	100.0
162.02769	5.1
163.04022	4.8
164.04826	1.2
175.04010	2.1
177.05545	3.4
178.02704	0.7
179.03485	18.9
179.07054	1.2
180.03903	1.4
193.05049	2.0
197.08145	7.4
203.03471	1.7
207.11507	0.7
220.03679	1.0
221.04442	3.2
223.06084	1.1
236.90981	0.7
263.05533	0.8
280.05893	0.9
323.07666	13.9
324.07986	1.6
343.11871	0.8
356.12579	8.6
357.13147	2.1
371.14905	3.9
388.14920	0.7
398.01462	0.7
452.23676	0.7
462.08127	0.7
517.19250	0.8
617.79413	0.8
693.31567	3.7
694.31592	0.8
695.23322	78.7
696.23712	20.3
713.26080	0.9
731.28345	3.2
732.28180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.2
61.98825	7.9
64.89105	0.3
66.77737	0.3
71.01385	1.5
71.62453	0.4
71.62838	0.4
73.02955	0.5
76.34050	0.3
85.02956	0.4
88.98806	0.5
89.02451	0.9
89.33487	0.3
92.08727	0.3
93.03461	0.7
96.95985	1.5
99.00993	0.3
101.02444	1.0
109.02926	0.7
110.33513	0.3
111.00835	0.4
113.02484	0.4
113.03590	0.8
114.05620	0.4
116.92877	0.9
117.03458	0.8
119.03626	0.3
119.05009	6.2
120.05386	0.4
121.02961	1.0
123.00880	0.3
123.04483	0.5
125.09725	0.5
128.03525	0.6
130.01221	0.3
132.02133	0.5
132.70457	0.3
133.02956	0.9
134.03732	3.1
135.04524	5.0
135.08159	0.4
136.01640	1.7
136.04837	0.5
137.02402	0.7
141.09238	0.4
145.02913	1.9
146.03711	0.9
147.04578	0.5
149.02461	0.3
149.06114	0.5
150.03249	0.5
151.04028	2.3
153.01968	0.7
153.09193	71.4
154.09541	3.7
157.76820	0.3
160.01617	2.8
161.02429	3.0
161.05907	0.3
163.02693	0.7
163.03990	9.4
164.04582	1.3
165.05603	0.5
169.08609	0.4
174.03209	0.5
175.03949	3.5
179.03448	2.9
179.07150	0.9
185.08180	0.4
191.07118	0.8
193.05058	2.6
195.06596	0.6
197.08159	100.0
198.08508	6.7
198.10217	0.6
205.05013	0.5
207.15900	0.4
215.09193	3.0
238.04808	0.4
256.77325	0.3
267.06494	0.6
269.04538	0.4
279.06671	0.7
282.08862	0.5
296.10226	0.4
309.07388	0.4
313.10602	0.4
323.08957	0.4
327.12436	0.5
337.09372	1.6
338.08044	0.7
339.08408	0.7
339.12363	0.4
341.10208	1.8
343.11850	0.7
353.10144	2.0
356.12601	1.3
357.13287	1.3
369.13354	0.6
371.10947	0.6
371.15021	1.9
395.11047	1.0
413.12280	0.6
443.13510	1.7
455.14175	0.4
473.14401	2.3
533.16742	0.8
534.16229	0.5
551.19324	0.7
669.21808	0.9
693.31293	3.1
694.31171	0.7
695.21088	1.7
695.33337	3.8
696.32831	1.0
731.25641	5.2
732.26282	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.5
61.98826	1.8
64.59270	0.2
65.24998	0.2
69.42885	1.5
69.64486	0.2
70.68102	0.2
71.01381	0.5
88.98805	0.4
89.02452	0.2
96.96010	0.4
125.09737	0.2
125.84320	0.2
134.03717	0.8
135.04471	0.5
135.08069	0.4
150.03227	0.5
153.09193	72.2
154.08359	0.3
154.09543	3.7
161.02408	0.4
165.05597	0.2
169.08656	0.5
175.92143	0.2
179.03470	0.3
193.05078	0.8
195.06537	0.2
197.08165	100.0
198.08495	6.8
215.09283	0.3
233.45107	0.2
267.06537	0.3
279.06720	0.3
283.31317	0.2
293.07974	0.3
294.05417	0.3
294.08813	0.2
297.11298	0.3
309.07587	0.3
320.07034	0.2
323.05673	0.5
323.09006	0.4
338.07950	0.8
341.10303	0.7
353.10312	1.8
365.06485	0.3
371.11450	0.3
380.08936	0.4
383.11383	0.3
395.11279	1.0
439.82129	0.2
443.13004	0.3
455.13431	0.4
473.14462	0.7
533.16473	1.4
610.22626	0.2
731.25427	4.0
731.37195	0.2
732.25940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
59.01364	6.0
61.98812	2.2
63.00441	0.9
67.01881	31.9
68.99807	16.8
69.03429	4.1
71.01364	4.4
71.62779	1.7
73.02910	1.9
85.02943	2.6
87.00851	4.2
89.02421	2.8
93.03430	2.3
95.05014	90.1
96.05339	2.7
96.95992	1.9
99.00843	1.3
99.04494	2.9
101.01767	2.2
101.02431	44.0
111.00868	17.7
111.04480	4.5
112.89105	1.0
113.02434	1.1
119.03500	1.3
119.04997	1.8
121.02136	1.6
121.02937	24.4
121.06593	1.7
123.04526	6.9
127.03995	84.6
128.04324	3.3
133.02943	2.0
134.03679	1.3
135.04500	2.9
135.08127	2.0
137.02391	1.8
137.09705	16.7
139.00362	55.2
139.03986	24.3
140.00668	1.4
140.04346	1.4
147.02974	2.4
147.04401	2.4
149.02362	3.5
150.03181	2.1
153.09161	5.5
154.09592	1.4
155.10765	27.7
156.11082	2.1
161.02367	2.1
163.03920	1.3
165.05542	12.1
171.02942	3.5
179.03423	2.0
179.10751	1.9
181.04994	1.0
181.08653	3.4
191.05479	2.7
197.08173	3.3
199.09749	12.6
209.04503	3.2
223.09718	3.2
229.14368	1.5
241.05029	1.6
241.07130	30.9
241.10777	1.6
242.07327	1.6
294.26492	1.1
301.13022	1.8
585.21765	100.0
586.13544	1.6
586.22107	18.0
733.25391	70.6
734.25519	17.0
753.98700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01369	3.3
60.99305	1.5
65.03961	0.3
67.01883	4.5
69.03445	1.1
71.01372	4.3
73.02940	0.9
79.95772	0.3
81.03452	0.5
83.01388	0.6
83.05023	0.8
85.02942	5.4
87.00865	6.8
89.02435	0.9
91.64716	0.3
93.03445	29.7
94.03801	0.7
95.01373	0.4
96.95998	9.1
98.20622	0.8
99.00852	0.5
99.04491	0.5
101.02415	2.0
109.02928	0.5
111.04507	4.1
113.02435	1.5
117.03454	0.9
119.03461	0.4
127.04001	1.4
129.01936	0.8
134.03720	9.9
135.04102	0.3
137.02460	0.4
143.03505	0.3
149.06070	0.7
151.98814	0.3
155.03491	0.9
156.07761	0.3
158.68608	0.3
160.01721	0.3
161.02394	0.6
167.10663	0.3
171.03091	0.4
173.04521	14.8
173.08174	0.6
174.04871	0.5
175.03932	0.5
179.03447	0.6
185.11789	1.1
187.77014	0.3
191.05585	100.0
192.05923	4.9
193.04999	5.8
194.05377	0.3
203.12886	0.7
203.96043	0.3
242.75200	0.3
256.36795	0.3
300.19171	0.3
347.13382	0.9
347.17078	3.7
348.17435	1.1
349.17725	0.7
365.18100	24.4
366.18488	6.5
367.10278	38.8
367.18564	4.1
368.10605	4.0
371.41406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10818	1.6
57.03425	1.3
59.01373	100.0
65.25500	1.3
66.19523	1.3
67.01893	1.9
67.87237	1.3
70.92191	3.6
71.01375	49.0
73.02937	44.3
83.01372	12.2
85.02937	12.6
87.00856	2.8
89.02441	21.7
93.03448	12.4
95.01376	3.4
96.96030	3.0
99.00845	2.4
101.02426	44.9
111.04507	2.5
113.02435	26.4
114.02845	1.6
119.03579	10.5
119.05009	51.4
121.40708	1.4
131.03447	3.4
137.02397	1.6
137.06027	4.2
143.03476	4.2
149.04547	5.8
150.01288	1.5
161.04564	10.1
163.03990	4.2
173.04532	30.6
174.04910	1.7
191.05588	24.4
221.06554	4.1
247.59682	1.9
271.17624	1.7
281.10269	65.5
282.10608	5.7
299.11313	16.9
337.09262	14.1
341.12323	93.0
342.12665	10.5
347.13168	3.0
365.18167	2.9
367.10110	3.5
553.30310	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	733.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03453	1.7
57.43987	0.7
59.01372	71.0
69.62415	3.5
69.62827	1.4
71.01373	43.4
72.01725	1.2
72.99319	1.6
73.02936	13.4
83.01372	4.2
85.02937	22.5
87.00863	2.1
89.02426	13.0
91.50136	0.8
95.01374	6.7
98.20203	2.9
99.00877	3.4
101.02435	15.8
104.50413	0.8
113.02438	39.4
117.37745	0.9
119.03498	3.0
119.05014	35.0
120.05375	1.0
131.03519	1.8
137.06062	2.9
143.03430	2.0
149.04539	2.3
161.04523	7.0
191.05600	1.8
227.12500	0.9
275.00659	1.0
281.10266	100.0
282.10571	8.1
299.11301	8.2
333.69638	0.8
341.12360	40.1
341.16501	1.9
342.12701	5.1
386.54996	0.8
654.81885	0.9
679.18127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79212	0.4
59.01366	1.4
67.01881	20.4
68.99810	15.7
69.03449	1.8
71.01373	1.0
71.17671	0.8
74.94962	0.4
79.22314	0.4
80.35873	0.4
95.05016	100.0
96.05346	3.2
99.04520	0.5
101.02431	33.8
102.02770	0.9
111.00861	8.3
111.04497	1.1
112.01675	1.0
121.02122	0.8
121.02946	9.9
123.04490	2.5
127.03999	67.0
128.04323	2.5
129.94029	0.4
137.05980	0.7
139.00359	27.4
139.03995	16.8
139.05092	0.7
140.00757	0.6
140.04326	0.6
149.02423	0.7
165.05544	7.1
171.02977	1.6
181.05017	0.4
196.08952	0.4
209.04494	3.4
241.07141	41.4
242.07466	2.6
316.04065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51122	0.3
57.03452	0.7
59.01374	5.9
61.98818	2.1
71.01371	3.7
72.99286	0.5
73.02941	1.2
75.00854	0.4
78.95892	0.5
83.01402	0.4
84.50022	0.3
85.02943	2.3
87.00835	0.5
87.76192	0.3
89.02436	1.1
96.95992	1.2
97.83295	0.3
101.02415	1.8
113.02445	2.1
117.03451	29.6
118.03790	1.1
119.05006	12.1
120.05333	0.6
126.93136	0.3
143.05002	4.6
145.02931	100.0
146.03268	4.7
161.04590	0.4
161.06049	1.1
163.03987	8.3
164.04324	0.4
179.03484	0.4
179.07158	0.5
187.03986	3.6
205.05013	3.5
211.13406	0.8
223.06062	2.7
382.57605	0.4
489.23682	0.3
501.27319	1.4
543.26581	1.1
561.58795	0.3
569.34534	0.6
647.30939	1.3
658.13629	0.3
689.31671	35.6
690.31989	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	733.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35861	0.2
61.98805	0.5
62.19575	0.2
72.00413	0.2
84.95098	0.3
98.20670	0.4
139.37994	0.2
215.38731	0.2
277.21667	4.1
278.21832	0.3
407.33075	0.9
455.35208	100.0
456.35541	17.2
496.55676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01364	1.6
60.99282	0.6
67.01873	1.7
69.03445	0.7
71.01365	2.0
73.02929	0.5
79.86354	0.3
81.03448	0.8
83.01390	0.3
83.05013	0.9
85.02943	14.7
86.03298	0.3
86.53026	0.3
87.00863	4.7
93.03448	12.3
93.20618	0.2
94.03786	0.5
96.95999	0.7
97.71452	0.2
99.00845	0.4
99.04489	0.7
101.02464	0.3
108.77298	0.2
109.02950	1.9
111.04498	2.8
113.02435	0.7
115.00392	0.3
117.03420	0.3
117.47293	0.3
123.04494	0.3
127.04015	3.5
129.01991	0.4
134.03723	4.7
135.04518	0.5
137.02463	0.6
141.27379	0.3
143.03494	0.3
145.02914	0.6
146.03757	0.4
147.04509	0.5
149.06091	0.5
155.03496	1.0
158.03624	0.3
159.04454	0.4
165.05537	0.3
171.02985	0.9
173.04521	10.2
173.06009	0.7
174.04897	0.4
191.05580	100.0
192.05927	4.3
193.05031	2.3
211.50758	0.3
241.05090	0.6
256.07312	0.7
263.67654	0.3
271.09564	1.6
281.08130	0.4
295.06061	0.6
300.27344	0.3
305.07043	0.5
310.08456	0.7
325.10693	0.6
333.06067	0.5
333.75473	0.3
343.11774	0.3
367.10278	3.2
369.09579	0.8
387.10779	2.7
388.11035	0.5
543.15155	1.2
561.15680	1.7
735.21271	38.1
736.21588	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	735.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.2
59.01368	1.7
60.99304	1.2
67.01885	3.7
69.03445	1.0
70.32336	0.8
71.01373	2.1
81.03445	0.9
83.05008	0.9
85.02939	4.6
87.00333	0.2
87.00858	6.1
93.03446	28.8
94.03786	0.9
96.95996	1.6
98.19899	0.3
99.00868	0.6
99.04498	0.5
101.02365	0.3
109.02923	0.6
111.00821	0.2
111.04504	4.1
113.02434	0.4
115.03989	0.2
117.03442	1.1
121.15463	0.2
127.03988	1.2
129.01907	0.9
130.33354	0.2
133.03859	0.2
134.03725	9.2
135.04124	0.7
137.02435	0.8
137.06046	0.3
139.15273	0.2
139.34235	0.2
149.06056	0.7
155.03465	0.9
160.01660	0.4
173.04518	15.8
174.04913	0.7
175.03947	0.6
178.02672	0.4
179.03410	0.4
191.05582	100.0
192.05905	4.4
193.04982	5.4
194.05289	0.4
196.42880	0.2
221.28717	0.2
235.29463	0.2
347.13455	0.7
367.10263	41.3
368.10623	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	735.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.7
59.01367	2.0
60.99297	1.6
67.01889	4.3
69.03452	1.0
69.22908	4.4
71.01366	2.1
77.12936	0.4
78.12611	0.4
81.03464	1.2
83.05019	0.8
83.98706	0.4
85.02942	4.5
87.00858	6.1
93.03447	35.6
94.03771	1.1
96.96008	1.4
97.37906	0.5
98.20256	2.8
99.00885	0.5
99.04543	0.7
109.02949	1.0
111.04511	5.4
113.02442	0.7
117.03457	1.2
127.04006	1.3
129.01913	0.7
134.03725	13.9
135.04076	0.6
137.02426	2.3
149.06047	1.2
155.03473	2.4
160.01654	0.4
161.02408	0.6
173.04523	43.3
174.04893	1.5
175.03973	0.6
179.03458	0.6
191.05586	100.0
192.05925	3.4
193.05000	10.6
194.05257	0.7
234.75565	0.5
290.37213	0.6
367.10272	50.5
368.10675	5.3
395.30765	0.6
597.77869	0.6
721.35022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	7.5
59.01369	3.9
69.03448	13.6
71.01379	9.6
71.05000	3.4
71.45204	0.6
73.02939	18.5
85.02927	1.4
87.00856	3.7
89.02419	1.8
93.03438	1.4
96.96002	2.2
101.02427	5.9
103.04008	3.4
111.08143	2.6
113.06092	2.7
119.03490	2.7
123.08112	0.9
131.65454	0.6
134.03752	1.2
139.11275	21.9
140.11630	1.2
147.02931	1.8
157.07921	0.6
159.04416	0.6
165.70972	0.6
173.04404	0.9
176.80800	0.5
178.02625	0.6
183.10236	100.0
184.10571	6.4
188.27295	0.6
191.05600	5.1
193.04991	0.9
225.18121	0.6
287.33997	0.6
331.13931	96.9
332.14325	9.3
369.09650	0.7
387.10706	8.0
388.11252	1.0
561.15601	1.3
735.21240	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	735.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
58.00584	1.6
59.01373	99.8
67.88158	1.4
69.03389	1.4
71.01376	43.5
71.05908	1.3
71.06215	2.2
72.99306	1.5
73.02941	41.3
78.77101	1.4
81.53092	1.5
83.01376	9.9
85.02959	8.8
87.00867	2.4
89.02436	22.1
90.10252	1.4
95.01393	3.4
96.96000	4.8
97.02975	1.5
101.02431	40.1
105.39095	1.4
106.45660	1.4
113.02427	27.8
119.03583	9.6
119.05013	53.6
120.05352	2.8
125.02406	2.3
131.03488	1.5
137.06047	2.5
143.03464	4.0
149.04521	5.3
161.04555	11.7
190.28984	1.5
203.05571	1.5
221.06538	1.5
245.25851	1.5
281.10263	58.8
282.10632	3.8
299.11279	12.7
341.12341	100.0
342.12595	12.7
582.01001	1.7
681.49091	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	735.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30936	1.2
55.01859	1.5
55.46182	1.1
57.03457	1.7
59.01371	100.0
67.50174	1.1
70.49328	1.1
71.01376	55.3
71.61224	1.2
72.99292	2.2
73.02935	29.5
75.00864	1.3
83.01376	11.1
85.02935	18.0
86.88982	1.1
87.00853	2.6
89.02427	21.3
89.02923	2.0
95.01373	6.2
96.96006	5.3
99.00853	2.9
101.02429	38.1
102.02808	1.5
113.02429	30.1
119.03622	6.9
119.05009	52.2
120.05355	2.9
125.02446	2.6
131.03476	1.7
135.04509	1.3
137.06046	2.5
143.03500	3.6
149.04530	4.8
159.94058	1.2
161.04489	10.0
162.86839	1.2
191.05641	5.8
221.06532	1.3
245.12576	1.4
281.10254	87.5
282.10547	10.0
299.11264	12.5
341.12347	80.0
342.12695	10.2
349.14822	1.6
349.18872	2.0
387.16278	1.4
436.61453	1.4
597.28210	1.3
617.12195	1.7
655.98883	1.4
671.82574	1.3
688.13031	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51826	0.3
59.01375	3.8
61.98820	4.6
71.01373	2.9
72.99303	0.5
73.02921	0.7
74.58734	0.4
78.11107	0.3
85.02946	1.3
87.00884	0.6
89.02438	1.7
89.03944	0.6
93.03452	0.9
96.95999	5.6
99.00887	0.7
101.02435	2.0
113.02438	1.0
117.03444	0.7
119.01406	0.8
119.03505	0.4
119.05019	1.0
121.02940	9.5
122.03242	0.5
127.44771	0.4
130.08739	0.6
132.02141	1.0
134.03717	1.5
135.04512	2.1
137.02481	0.4
139.03999	0.6
147.00838	0.6
147.04495	3.6
149.02419	60.8
150.02748	2.1
152.03477	0.5
153.09184	0.4
160.01616	0.7
161.02441	1.6
163.03986	1.1
164.04764	56.5
165.05116	3.0
175.00311	4.7
175.02522	0.5
175.03860	0.5
179.03545	0.8
179.07095	5.1
190.00954	0.7
190.02676	11.0
190.04309	0.7
191.03055	0.8
191.05612	0.4
193.05042	1.7
205.05016	9.2
206.05371	0.7
213.14883	1.7
223.06075	100.0
224.06404	6.1
230.69449	0.5
234.88210	0.4
306.85809	0.4
354.77924	0.4
359.18262	0.5
363.67010	0.4
395.59113	0.4
426.51083	0.4
436.20633	1.1
461.51837	0.3
675.32379	1.6
676.32581	0.4
735.32208	17.3
736.32800	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	735.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
56.58381	0.8
57.03442	2.0
58.00573	1.6
59.01371	32.1
61.98822	9.7
69.03449	2.9
71.01372	33.4
71.41481	1.1
72.99290	2.3
73.02938	9.4
77.41026	0.9
81.03446	2.3
82.95406	1.3
83.01368	5.2
85.02934	12.6
87.00867	18.7
89.02429	27.1
92.92810	1.1
95.01375	3.1
96.95991	2.7
97.02923	6.3
99.00860	3.7
101.02428	41.8
111.30321	0.9
113.01727	0.7
113.02432	21.9
113.03222	1.4
116.25905	1.2
119.03481	8.0
121.02932	3.3
125.02428	14.0
126.04670	0.9
131.03484	0.9
135.04488	0.9
141.11633	0.9
143.03477	8.6
145.03015	1.3
149.04482	0.8
161.04544	8.5
179.03844	1.0
179.05539	6.2
199.06117	1.4
203.05589	0.9
216.63832	1.0
221.06677	2.3
235.08206	17.1
253.09241	9.3
277.21674	100.0
278.22046	9.2
279.98730	0.9
287.07709	6.8
291.23196	1.5
305.08749	7.5
323.09845	3.7
397.13422	97.3
398.13742	9.3
415.14490	62.2
416.14978	5.8
497.24643	1.0
603.42542	3.6
675.36371	3.3
735.46991	9.3
736.36237	2.5
736.47687	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	735.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50557	0.5
57.03456	0.7
59.01370	6.6
61.98820	1.6
69.03441	2.0
71.01359	3.5
71.05016	0.7
71.61516	0.5
73.02952	1.0
78.38995	0.5
78.95894	2.7
85.02934	1.0
89.02431	2.9
93.03399	0.6
101.02430	3.7
101.47255	0.4
109.06618	0.6
109.68536	0.4
113.02438	2.0
119.03483	0.7
136.86472	0.5
152.99510	2.7
161.02356	0.6
161.04518	1.8
162.18875	0.5
167.10783	3.3
177.12767	1.0
179.05559	0.6
179.10893	0.9
179.14375	3.3
195.13872	15.9
196.14282	1.2
205.12308	9.6
223.13356	100.0
224.02859	0.5
224.13678	7.5
225.14806	0.8
228.13487	0.6
231.21095	0.5
235.08197	3.8
245.37575	0.5
253.09236	19.2
254.09453	0.6
256.13205	0.8
265.21710	0.9
269.11475	0.5
275.20126	4.1
277.21628	1.2
293.21188	85.0
294.21515	10.4
294.24609	0.9
441.21240	0.9
459.22324	12.7
460.22656	1.9
499.34534	0.6
529.30206	1.8
547.77057	0.6
577.32690	0.5
735.43134	1.6
736.31281	0.7
736.44470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47976	1.2
58.36651	1.2
59.01373	9.9
60.33490	1.3
61.98825	19.5
64.01092	1.1
71.01365	3.6
71.44776	1.2
71.61855	1.8
73.02910	1.4
77.17139	1.4
80.05045	5.0
85.02928	1.4
88.98797	1.4
89.02438	2.7
94.06626	2.2
96.96002	13.0
101.02427	3.1
104.05035	2.5
106.06612	3.0
107.03752	3.4
108.53230	1.2
111.00854	1.3
113.02417	1.9
120.04536	1.8
121.02917	2.1
121.05316	1.5
122.05313	1.9
122.06123	24.6
130.06598	1.6
134.03714	4.3
134.06087	7.7
135.04375	1.7
136.07599	1.4
145.02985	1.6
147.04448	1.6
149.02449	16.3
150.05580	1.6
152.05989	2.2
152.07175	42.8
153.09236	1.6
160.04027	2.6
160.06361	1.3
161.02409	2.9
164.04776	17.1
165.05292	1.0
173.04544	1.3
174.05548	2.4
175.00288	1.2
175.04018	1.7
179.03401	2.8
188.07127	3.5
190.02710	3.5
193.05014	6.3
195.06622	2.6
197.81725	1.3
205.05067	3.3
213.10371	7.3
223.03996	2.2
223.06081	26.7
224.06354	3.8
225.10323	3.0
237.10170	2.3
238.07570	1.4
239.11902	7.8
241.13362	3.1
245.12944	6.7
251.11787	1.3
252.09196	1.4
253.09695	2.2
265.09744	5.7
266.10391	2.1
267.11267	4.7
277.09778	1.8
278.07104	1.6
278.10455	1.6
279.07593	4.7
279.10913	2.6
284.03156	2.0
285.03543	1.7
285.12448	18.4
291.08640	2.3
293.09247	11.5
293.12854	4.7
294.09808	4.8
295.10831	11.0
299.05490	2.0
300.05704	1.9
306.09515	1.3
307.10791	4.6
313.11841	2.1
323.10263	3.7
325.11893	1.5
337.08481	9.2
340.14481	1.8
353.10220	1.9
358.15485	6.1
384.13434	2.0
400.16513	10.6
412.16489	4.3
427.83722	1.3
431.18646	1.5
432.19135	1.6
458.16669	1.5
459.17758	2.7
460.18784	10.1
474.20212	2.6
476.17993	1.6
486.16638	1.8
503.16687	4.4
504.17712	11.2
505.17413	1.7
518.19238	5.2
535.19794	1.2
536.20740	2.3
550.22198	11.2
565.24500	19.7
566.24847	5.2
597.27100	4.9
609.23621	18.8
610.23816	3.7
641.26050	100.0
642.26355	21.6
673.28656	56.9
674.29034	12.7
702.49438	1.3
736.28125	2.9
737.32928	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	737.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.4
58.20156	0.4
58.27499	0.4
59.01371	12.4
61.98824	1.7
69.03417	0.4
71.01381	7.3
71.62591	0.6
72.99304	0.5
82.95409	1.1
83.01383	1.3
85.02930	2.3
88.98816	0.7
89.02425	4.4
93.03452	0.8
95.01357	0.8
96.96001	5.0
101.02422	3.2
113.02436	2.0
117.03428	0.4
119.05013	100.0
120.05338	4.3
121.02957	0.5
122.06107	0.5
123.04491	0.5
129.50174	0.4
129.91013	0.5
133.02946	0.8
134.03712	1.7
135.04500	1.9
145.02907	0.6
149.02434	0.6
150.03214	0.6
153.09108	0.5
155.08223	0.7
160.01639	0.7
161.02409	1.6
161.04550	0.5
161.13324	1.2
163.03989	94.4
164.04311	5.1
165.05602	0.6
175.03949	0.8
179.03413	0.7
179.05606	0.8
179.07056	0.6
180.47026	0.5
187.11259	4.3
191.05537	0.6
193.05029	1.9
205.12291	1.2
325.09320	3.0
338.08026	0.4
393.15350	1.6
411.16629	1.0
513.21265	6.8
514.21777	1.4
519.19629	0.5
557.20233	11.1
558.20941	2.5
573.21436	1.6
737.26581	19.6
738.26782	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	737.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.4
58.20156	0.4
58.27499	0.4
59.01371	12.4
61.98824	1.7
69.03417	0.4
71.01381	7.3
71.62591	0.6
72.99304	0.5
82.95409	1.1
83.01383	1.3
85.02930	2.3
88.98816	0.7
89.02425	4.4
93.03452	0.8
95.01357	0.8
96.96001	5.0
101.02422	3.2
113.02436	2.0
117.03428	0.4
119.05013	100.0
120.05338	4.3
121.02957	0.5
122.06107	0.5
123.04491	0.5
129.50174	0.4
129.91013	0.5
133.02946	0.8
134.03712	1.7
135.04500	1.9
145.02907	0.6
149.02434	0.6
150.03214	0.6
153.09108	0.5
155.08223	0.7
160.01639	0.7
161.02409	1.6
161.04550	0.5
161.13324	1.2
163.03989	94.4
164.04311	5.1
165.05602	0.6
175.03949	0.8
179.03413	0.7
179.05606	0.8
179.07056	0.6
180.47026	0.5
187.11259	4.3
191.05537	0.6
193.05029	1.9
205.12291	1.2
325.09320	3.0
338.08026	0.4
393.15350	1.6
411.16629	1.0
513.21265	6.8
514.21777	1.4
519.19629	0.5
557.20233	11.1
558.20941	2.5
573.21436	1.6
737.26581	19.6
738.26782	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	737.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
57.03427	0.9
58.00580	0.7
59.01371	36.9
61.98825	4.0
65.94312	0.4
69.03431	1.6
70.80207	1.1
71.01372	25.2
72.01698	0.7
72.99290	1.3
73.02934	18.1
75.00844	1.3
75.09383	0.4
77.13709	0.4
81.03432	0.8
83.01372	5.4
85.02940	6.7
87.00861	4.4
89.02430	6.8
95.01385	1.7
96.95996	3.5
97.02921	5.5
99.00795	0.4
101.02429	29.2
102.02782	0.6
112.98535	0.6
113.02429	9.5
115.03976	1.6
119.03489	4.6
125.02441	2.1
131.03490	1.7
133.02953	0.8
135.04469	0.6
136.56900	0.4
143.03477	7.7
145.02917	0.6
147.04453	0.5
161.02373	1.7
161.04523	0.9
176.52968	0.5
179.03442	0.9
179.46082	0.5
183.13834	2.0
191.05574	3.0
203.05618	0.9
279.23224	11.8
280.23495	1.1
297.24286	3.6
321.24551	0.5
441.28308	3.8
459.29565	12.7
460.29733	1.9
465.28607	0.7
483.29547	6.2
484.29846	1.2
501.30612	100.0
502.30936	15.5
543.32257	0.5
573.31787	0.7
585.32166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.8
59.01373	46.1
60.01695	0.6
61.98825	7.1
69.03425	1.6
71.01371	29.3
71.61060	1.1
72.95354	0.6
72.99285	2.3
73.02940	19.4
75.00870	3.2
81.03462	0.7
83.01384	6.1
85.02949	6.7
87.00853	3.2
88.98806	1.4
89.02438	8.1
95.01353	1.8
96.96000	20.1
97.02943	3.2
99.00868	0.9
100.74371	0.8
101.02431	31.9
113.02429	12.5
114.44419	0.8
115.03982	0.7
117.03383	0.8
119.03468	6.0
124.01645	1.0
125.02404	2.4
131.03513	1.3
133.02924	1.2
135.04466	0.9
143.03474	6.1
155.03452	0.8
161.02374	1.2
161.04492	1.3
163.03998	0.9
177.05977	0.7
177.64046	0.8
179.03464	1.1
183.13872	1.3
183.27428	0.7
191.05598	2.3
203.05608	1.9
279.23224	14.3
280.23465	1.2
293.24817	1.6
297.24274	2.8
321.24341	1.0
360.02634	0.7
441.28629	5.8
442.29083	1.0
459.29587	13.8
460.30194	1.5
465.28543	1.0
483.29648	11.0
484.29913	2.6
501.30624	100.0
502.31021	16.2
525.30585	1.3
543.31879	1.7
555.31061	0.7
571.62122	0.8
573.32697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
57.03439	0.5
58.00579	1.5
59.01370	36.9
60.01697	0.5
61.98818	3.7
68.99546	0.8
69.03438	1.4
69.74436	1.6
71.01372	25.3
72.99303	1.5
73.02935	17.3
75.00868	1.1
81.03440	1.0
83.01367	6.3
85.02936	6.1
87.00867	3.4
89.02435	7.9
89.23521	0.3
95.01357	2.6
96.96002	3.2
97.02933	6.2
99.00845	1.0
101.02428	29.3
102.02766	0.7
112.98564	0.7
113.01679	0.7
113.02425	9.1
114.46253	0.3
115.03979	0.8
115.21672	0.3
119.03475	5.4
121.56968	0.4
124.01618	0.6
125.02431	1.9
125.29440	0.4
131.03468	1.1
133.02924	0.7
143.03461	7.1
143.48186	0.3
155.03394	0.4
161.02425	1.9
161.04460	0.7
164.54462	0.4
179.03418	0.5
183.13803	1.6
191.05557	3.4
198.05048	0.4
203.05573	1.1
279.23239	11.0
279.26331	0.6
280.23605	1.4
293.24805	0.7
297.24286	2.9
321.24234	0.5
413.45999	0.4
441.28387	4.9
442.28851	0.7
459.29572	11.4
460.30121	1.9
465.28345	0.6
483.29544	7.0
484.29675	0.9
501.30594	100.0
502.30899	17.1
502.38361	0.6
508.62762	0.4
514.22107	0.4
525.31244	0.7
543.31677	0.7
555.31293	0.8
573.33008	0.7
585.33923	0.4
651.39178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.3
61.98811	1.7
71.01373	2.1
71.61172	0.8
72.41927	0.5
73.02958	1.0
79.05527	5.3
83.01363	0.7
85.02934	0.6
93.07019	0.6
95.19945	0.6
96.96001	0.8
97.02943	4.5
99.00871	0.7
101.02417	1.9
105.07091	1.1
111.04503	2.6
113.02428	1.3
129.07072	4.7
133.10229	0.8
136.12041	0.5
142.07890	0.9
143.08647	6.7
157.10207	2.6
159.11777	44.4
160.12100	2.5
161.02415	1.2
161.04553	0.6
175.07597	0.8
185.09671	2.0
203.10754	55.5
204.11052	4.1
247.09708	100.0
247.59886	0.7
248.10043	7.8
265.11169	0.5
281.71445	0.6
357.22787	5.1
375.75717	0.7
420.91885	0.6
489.26920	5.1
490.27753	0.8
556.46704	0.6
669.02380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
61.98820	3.6
64.69646	0.6
70.93960	1.1
71.01357	1.1
72.99312	0.5
77.53741	0.6
78.92033	0.6
78.95880	0.8
81.07079	1.6
83.05026	0.5
85.02940	0.4
88.98779	0.9
96.95998	3.2
99.04514	2.3
105.07101	1.0
113.02462	0.5
113.06055	1.0
116.92863	0.5
125.06117	0.5
135.04495	0.6
161.02403	1.2
161.13344	11.8
162.02986	0.5
162.13654	0.7
179.03442	0.8
187.11263	0.8
205.12305	31.7
206.12698	1.8
249.11285	100.0
250.11618	8.5
250.14200	0.7
287.22388	0.6
685.37360	1.5
737.35980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
56.58593	0.5
57.03427	0.9
58.00570	1.3
59.01373	33.7
59.96618	0.5
61.98798	0.9
65.39329	0.5
67.01878	0.5
69.03440	2.0
71.01374	24.2
72.99280	2.1
73.02941	3.0
81.03430	0.9
83.01369	4.0
85.02940	5.7
87.00857	5.5
89.02431	21.3
94.84481	0.5
95.01376	1.8
96.96004	0.9
97.02929	4.0
98.19838	1.2
98.55976	0.5
99.00854	1.7
101.02434	20.4
109.02946	0.6
111.04495	0.9
113.02432	9.4
119.03487	5.9
125.02435	8.5
131.03510	1.0
132.39212	0.5
133.05006	0.8
141.01726	2.0
141.03342	0.5
143.03490	4.6
161.04549	4.7
163.50583	0.6
179.05594	4.2
195.74652	0.5
217.07082	0.6
221.06671	1.6
235.08202	10.9
253.09189	1.9
279.23245	80.9
280.23596	8.7
287.07755	3.2
305.08713	4.1
323.09836	1.1
379.12134	0.7
397.13443	100.0
398.13791	9.3
415.14523	33.0
416.14758	2.3
446.24182	0.5
614.86945	0.6
627.33978	0.6
656.93341	0.5
677.37689	3.6
678.37476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14231	0.5
55.01870	0.9
55.39848	0.5
55.82581	0.5
57.03442	0.7
58.00582	1.6
59.01374	28.9
61.98801	0.6
69.03437	1.5
71.01375	26.2
72.97077	0.5
72.99303	1.5
73.02943	3.8
75.00883	0.9
78.95898	1.0
81.03447	1.0
83.01392	2.8
85.02934	4.8
87.00862	4.1
88.64169	0.5
89.02435	21.4
95.01373	1.9
97.02937	5.0
99.00868	1.9
101.02431	18.9
102.02760	0.7
109.02950	0.7
111.04514	1.0
112.98566	0.7
113.02434	10.0
119.03487	6.1
125.02433	9.4
127.03943	0.5
131.03432	0.8
139.03966	0.8
143.03484	3.3
161.04558	4.9
161.46124	0.5
179.05609	4.1
220.11656	0.5
221.06624	1.2
235.08194	10.9
245.13289	0.6
253.09337	3.0
253.11649	0.7
263.07578	0.7
279.23242	78.5
280.23529	8.6
287.07608	2.5
305.08643	3.5
323.09726	1.1
327.36081	0.6
333.14117	0.5
347.25919	0.6
379.12488	0.8
397.13434	100.0
398.13702	8.3
415.14505	30.5
416.14990	3.3
677.37158	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	737.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	13.1
61.39202	0.3
63.36599	0.3
71.01380	0.3
81.03445	4.0
83.05015	11.2
84.05284	0.3
86.68163	0.3
90.87718	0.3
91.73414	0.3
96.95976	0.3
108.04514	0.3
110.47748	0.3
119.05022	1.5
120.24950	0.3
125.07188	0.4
133.02962	0.4
145.02986	1.4
145.03992	0.3
161.02408	1.1
163.04010	0.8
207.14961	1.1
224.17616	1.9
225.16042	11.0
226.16364	0.9
309.21817	0.7
324.26450	0.6
333.23090	0.5
341.29056	0.4
367.27051	1.3
398.73822	0.3
413.15833	0.8
433.31778	1.0
450.34473	0.8
451.32828	6.7
452.33133	1.1
550.43225	1.1
623.19641	0.4
659.48810	2.1
660.48706	0.7
677.49573	100.0
678.49896	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62056	0.7
59.01371	3.4
61.98822	43.6
70.11359	3.6
71.01364	3.1
72.99340	0.8
73.02930	1.5
83.01392	0.8
85.02952	1.2
91.05511	0.8
96.95983	2.8
98.20512	1.2
101.02449	1.9
103.93761	0.9
107.04984	2.0
113.02458	1.4
117.03487	1.3
133.02937	13.2
134.03734	7.5
135.04509	100.0
136.04839	3.9
161.02422	47.3
162.02745	2.0
179.03471	59.5
180.03802	3.1
191.79623	0.9
242.09610	0.8
244.89157	0.8
279.23230	2.9
515.29248	1.0
635.71014	0.9
675.30096	94.0
676.30353	21.6
683.66351	1.0
738.49713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23938	0.4
59.01376	2.0
61.98824	40.0
64.48254	0.6
70.04989	2.1
71.01376	2.1
72.99285	0.6
73.02946	1.6
76.11288	0.5
83.01374	0.5
85.02934	1.2
89.02438	1.3
91.05526	0.6
96.95986	1.2
99.00908	0.8
101.02430	2.1
104.50098	0.5
107.05026	1.7
113.02448	1.2
117.03436	1.3
133.02946	13.9
134.03743	6.4
135.04510	100.0
136.04843	4.6
161.02422	47.2
162.02795	2.8
163.04056	0.5
179.03474	59.4
180.03734	3.1
193.05045	0.5
279.23056	0.7
300.18378	0.5
419.53885	0.5
675.30090	92.8
676.30463	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98825	100.0
62.98512	0.1
62.99233	0.1
70.50790	0.2
71.01392	0.3
85.02920	0.1
89.02457	0.2
97.02937	0.1
101.02456	0.2
113.02410	0.2
125.02454	0.1
162.04877	0.1
178.89070	0.1
185.07129	0.1
217.83269	0.1
235.08205	0.1
250.95479	0.1
277.21689	0.4
278.22046	0.4
279.22498	0.3
280.22641	0.2
295.23453	0.1
308.17752	0.1
309.88773	0.1
397.13699	0.3
398.13705	0.3
399.14081	0.6
400.14304	0.4
416.14853	0.1
417.15176	0.2
418.15347	0.1
439.42944	0.1
602.70837	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	738.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98823	100.0
62.98534	0.2
63.33643	0.1
66.41188	0.1
69.69137	0.6
69.69544	0.2
71.01392	0.4
78.95889	0.1
88.98781	0.1
89.02435	0.3
90.36639	0.1
97.02946	0.2
98.19960	0.2
101.02452	0.3
113.74602	0.1
209.11758	0.7
211.13385	0.1
227.12924	0.1
235.08150	0.1
277.21750	0.5
278.21970	0.6
279.22629	0.3
280.22733	0.1
293.21262	0.4
385.85071	0.1
397.13593	0.4
398.13779	0.5
399.14011	0.6
400.14590	0.5
417.15292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37046	0.2
57.03462	0.2
57.42839	0.2
57.74544	0.2
59.01089	0.3
59.01369	4.6
61.01781	0.2
67.01848	0.2
70.62958	0.5
71.01372	2.3
73.02926	1.7
76.31618	0.2
77.38644	0.2
83.01366	0.4
83.05035	0.2
85.02941	6.4
87.00861	1.2
88.69575	0.2
89.02439	0.9
93.03441	2.7
95.01358	0.2
96.90116	0.2
99.00790	0.2
99.04506	0.3
101.02441	1.8
109.02934	0.5
111.04501	1.1
113.02432	1.1
119.03465	0.4
119.05003	1.9
127.03977	1.6
133.02931	0.7
135.04510	0.9
137.02414	0.2
155.03476	0.3
161.02441	1.6
161.04530	0.7
170.74802	0.2
171.02939	0.4
173.04518	1.7
179.03551	1.1
191.05580	100.0
192.05917	4.4
281.10272	3.4
299.11328	0.6
308.56848	0.2
341.12326	4.7
342.12582	0.6
353.08722	15.3
354.09024	1.7
455.05655	0.2
514.85925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94403	0.6
57.03453	0.9
57.44855	0.6
59.01368	6.5
67.01878	3.9
69.03429	0.6
70.08549	2.4
71.01382	5.5
73.02944	2.5
75.20685	0.6
83.05000	1.3
85.02938	7.7
87.00854	1.5
89.02420	1.7
93.03447	24.7
94.03774	0.9
98.19994	0.9
98.20559	1.1
99.04508	0.6
101.02440	2.5
109.02934	1.6
111.00848	1.2
111.04504	5.2
113.02465	1.7
119.05013	3.0
127.03983	2.2
133.02942	1.5
134.03696	2.9
135.04509	64.6
136.04874	3.2
137.02406	4.2
139.38806	0.6
143.03450	0.9
149.04538	0.8
155.03439	3.7
161.02423	3.9
161.04536	0.9
171.02916	0.7
173.04517	100.0
174.04854	4.6
179.03470	61.2
180.03775	3.0
191.05582	53.2
192.05913	1.8
219.10553	0.7
239.51367	0.6
281.10269	5.3
341.12311	6.7
353.08713	90.3
354.09061	7.9
368.47052	0.6
407.92752	0.7
460.13678	0.6
500.10764	0.7
568.68542	0.8
703.71332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68081	0.3
54.09290	0.3
59.01376	2.4
60.99282	0.3
61.88714	0.3
67.01897	0.3
68.57478	0.2
70.42394	0.6
70.42789	0.6
71.01362	1.3
73.02934	0.7
79.66013	0.3
81.03426	0.4
85.02431	0.4
85.02946	6.4
87.00841	1.5
89.02416	0.4
93.02911	0.4
93.03451	3.8
96.95986	1.3
101.02445	0.7
101.03976	0.3
109.02955	0.7
111.04506	1.1
113.02430	0.6
119.03471	0.3
119.04996	0.8
127.04005	1.5
133.02963	1.7
135.04536	1.6
136.04852	0.4
137.02449	0.4
137.06053	0.9
155.03465	0.3
161.02431	2.3
163.03957	0.5
171.03008	0.4
173.04530	3.4
179.03391	1.9
191.05583	100.0
192.05914	3.9
239.09259	0.8
243.10017	0.3
276.15161	0.3
337.09314	1.2
341.12259	0.8
352.07739	0.3
353.08722	22.4
354.09012	2.1
384.08786	0.3
468.34741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.8
69.03457	0.9
71.53306	0.6
71.59271	0.6
71.61018	1.3
72.84959	0.7
72.96887	0.6
77.03964	6.6
85.02955	1.0
87.00904	0.8
91.05535	3.3
93.03453	0.9
93.07079	9.1
95.05021	3.4
96.96000	1.3
99.24603	0.7
101.58578	0.7
107.05012	1.0
111.04516	0.9
113.02424	2.1
116.51007	0.7
119.05016	21.6
120.05328	1.4
121.02950	7.3
122.03754	2.5
133.02972	2.2
135.04504	4.6
137.02441	2.4
137.06065	100.0
138.06383	5.2
161.02406	4.8
162.02849	1.1
163.03981	11.8
164.04306	0.8
165.01909	21.5
166.02277	1.3
179.03531	2.2
181.05078	1.7
200.01787	0.6
207.02972	9.5
225.03941	3.3
301.10663	2.4
345.09717	51.3
346.10068	7.4
424.49911	0.7
449.43945	0.7
636.44470	0.7
716.75073	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.98819	1.5
65.00308	0.6
69.31260	3.7
70.16279	0.4
71.01373	2.0
73.02927	0.5
83.01406	0.5
85.02943	1.3
87.00878	0.6
88.98759	0.4
91.01853	1.8
93.03442	3.9
96.96032	0.6
98.19874	0.6
101.02435	1.2
105.03490	0.4
109.02971	0.5
113.02429	0.4
119.01362	7.0
121.02939	28.9
122.03188	0.6
122.03788	0.8
132.02132	0.5
134.03726	2.7
135.04509	4.1
136.01651	1.3
137.02400	1.0
145.02885	0.5
147.00873	5.6
147.04510	1.0
149.02422	16.3
150.03088	1.2
151.03979	2.4
152.01131	1.2
159.04552	0.5
161.02444	1.2
162.03194	1.4
163.03983	3.3
164.04778	16.2
165.01932	1.8
165.05188	0.8
169.04955	0.5
175.00339	42.6
175.74132	0.4
176.00708	2.0
177.01958	0.5
177.05580	0.9
177.63637	0.4
179.03508	0.4
179.07098	3.6
189.01918	1.3
190.02689	100.0
191.03114	7.0
192.04004	0.4
193.01442	1.2
193.05009	1.9
194.02139	0.5
205.05026	92.4
206.05374	5.4
207.02786	0.4
208.03745	1.9
209.04501	1.7
223.06088	15.5
224.06516	1.1
232.03709	0.4
237.59897	0.4
247.06079	1.3
251.05441	0.4
265.07285	0.5
307.08279	0.6
337.05560	0.9
352.08063	0.9
353.08475	0.7
356.12589	26.7
357.13101	5.2
367.10269	61.9
368.10568	6.5
371.10208	0.7
371.14926	10.9
372.15201	1.1
454.90060	0.4
601.13867	0.4
724.23645	0.9
739.25934	62.7
740.26300	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	739.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03437	0.5
58.00572	1.2
59.01376	25.9
61.98822	2.4
66.33591	0.5
69.03444	0.9
71.01374	24.4
72.99303	2.6
73.02947	4.0
75.00855	0.6
81.03432	1.0
83.01399	3.1
85.02945	4.9
87.00866	5.7
89.02431	21.2
95.01379	2.6
97.02943	3.4
99.00863	1.6
101.02433	19.4
111.04521	0.5
113.02428	9.7
119.03476	6.3
121.02927	0.7
125.02422	7.5
130.44914	0.5
131.03458	0.9
133.04985	0.6
139.03967	0.7
141.01924	0.6
143.03465	3.4
149.04527	0.5
161.04539	4.2
167.03528	0.6
179.05583	4.4
199.06161	0.6
217.07156	0.5
219.05182	0.6
221.06624	2.1
235.08183	10.5
253.09198	2.4
263.07690	0.8
263.10349	0.5
277.09155	0.6
277.21774	0.5
281.24811	83.1
282.25174	7.1
287.07578	3.3
305.08707	4.0
323.09674	1.2
379.12424	1.2
397.13434	100.0
398.13766	8.8
415.14499	32.0
416.14780	1.8
539.60211	0.4
679.39020	4.4
680.39099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57203	0.4
59.01368	2.1
61.98824	42.3
71.01374	3.9
73.02947	1.0
83.01395	0.7
84.10203	0.4
85.02945	1.9
88.98862	0.4
92.56943	0.4
98.19901	1.0
99.00868	0.6
101.02444	2.0
105.01899	0.5
105.03409	0.6
106.04223	0.4
107.05014	2.4
113.02437	1.5
117.03449	1.6
128.68329	0.4
132.02180	0.9
132.33444	0.4
133.02948	15.4
134.03749	8.0
135.04512	100.0
136.04837	4.5
161.02425	50.2
162.02740	2.6
162.06801	0.4
168.22894	0.5
179.03474	57.5
179.84947	0.4
180.03825	2.8
193.05037	1.9
198.90402	0.4
301.73468	0.5
453.15396	0.5
502.67233	0.5
516.84808	0.5
677.31641	92.5
678.31989	22.3
678.44006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15024	0.2
59.01362	0.6
61.98820	100.0
71.01390	0.4
82.73188	0.2
87.00864	0.2
88.98806	0.4
89.02428	0.4
96.96040	0.2
98.19833	0.4
101.02430	0.2
105.01980	0.2
113.02480	0.2
119.03509	0.2
145.02905	0.3
237.13716	0.2
272.52872	0.2
279.23325	0.4
280.23639	0.7
281.24008	0.3
373.51138	0.2
397.13617	0.5
398.13864	0.5
399.14154	0.8
400.13852	0.4
417.14993	0.3
427.96881	0.2
505.15784	0.2
577.26648	0.3
624.53784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09105	0.1
59.01372	1.1
61.98824	100.0
62.98530	0.2
69.46198	0.2
69.46598	0.7
71.01382	0.3
73.47408	0.1
83.04996	0.2
85.02966	0.2
88.98868	0.1
89.02423	0.3
93.03455	0.2
96.96046	0.3
98.00983	0.1
108.02154	0.1
121.02944	0.1
122.03752	0.2
123.04501	0.4
125.46938	0.1
133.02890	0.2
134.03735	0.1
135.04538	0.5
137.02515	0.2
145.02968	0.1
149.02420	0.1
161.02464	0.3
162.87859	0.1
173.04530	0.7
177.01889	0.2
187.11281	0.3
191.05656	0.1
193.05002	0.1
195.06624	0.2
214.77870	0.1
353.20584	0.1
561.19690	0.2
678.50531	0.2
679.50378	0.2
680.50446	1.1
681.50757	0.1
740.24091	0.3
740.49152	2.1
740.61292	0.2
741.25281	0.7
741.48523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63689	0.2
57.39402	0.2
67.31333	0.2
71.01379	0.4
73.19468	0.2
80.87688	0.2
85.02957	0.4
87.45490	0.2
88.98788	0.5
96.95999	0.4
99.92573	9.8
99.93236	0.5
100.92598	0.5
101.02461	0.3
103.00677	0.2
107.66788	0.2
113.02441	0.6
114.52505	0.2
114.93428	0.3
116.92847	100.0
117.92860	5.8
133.02934	0.6
135.04489	0.7
160.03989	0.2
161.02415	2.6
165.05569	0.4
173.04587	0.3
179.03424	0.4
187.90268	0.2
223.06107	0.5
257.61917	0.2
325.26300	0.2
401.50671	0.2
434.99860	0.2
446.99393	0.2
450.37402	0.2
623.19629	3.3
624.20251	0.6
687.09851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.134
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18876	0.3
65.08392	0.3
71.01389	0.4
71.61661	0.4
76.56654	0.3
79.10600	0.3
85.02918	0.5
88.98787	0.3
88.99827	0.3
89.05786	0.3
99.92570	10.2
100.92580	0.7
108.01321	0.2
113.02423	0.5
114.93398	0.3
116.92842	100.0
117.92852	6.0
117.93633	0.6
121.08884	0.3
133.02930	1.8
135.04509	0.6
161.02414	4.5
179.03545	0.4
339.41174	0.3
480.05530	0.3
522.81799	0.3
623.19910	3.5
624.20380	0.6
687.10297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63689	0.2
57.39402	0.2
67.31333	0.2
71.01379	0.4
73.19468	0.2
80.87688	0.2
85.02957	0.4
87.45490	0.2
88.98788	0.5
96.95999	0.4
99.92573	9.8
99.93236	0.5
100.92598	0.5
101.02461	0.3
103.00677	0.2
107.66788	0.2
113.02441	0.6
114.52505	0.2
114.93428	0.3
116.92847	100.0
117.92860	5.8
133.02934	0.6
135.04489	0.7
160.03989	0.2
161.02415	2.6
165.05569	0.4
173.04587	0.3
179.03424	0.4
187.90268	0.2
223.06107	0.5
257.61917	0.2
325.26300	0.2
401.50671	0.2
434.99860	0.2
446.99393	0.2
450.37402	0.2
623.19629	3.3
624.20251	0.6
687.09851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83302	0.4
55.16527	0.4
59.01360	0.6
59.21803	0.4
61.98819	2.2
63.44304	0.4
64.16068	0.4
69.49490	0.4
76.90233	0.5
77.03951	2.5
78.95905	0.5
79.95737	0.6
88.98837	1.2
96.95998	13.0
121.02944	100.0
122.03302	3.8
132.13556	0.4
141.52965	0.5
144.87485	0.5
145.50777	0.4
165.01917	75.4
166.02235	3.2
181.06558	2.3
181.29282	0.5
191.03448	1.8
201.85370	0.5
208.74834	0.5
209.11720	0.8
215.89763	0.5
225.05615	1.4
277.21732	0.7
293.21008	0.5
313.07135	1.3
344.69928	0.5
357.06122	9.6
358.06485	1.3
363.14764	0.5
505.25424	1.2
517.36597	0.5
549.10400	0.9
575.12256	0.6
629.52893	0.6
741.14410	7.9
742.15161	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	741.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50397	0.2
57.03440	0.5
59.01371	1.1
60.99289	0.8
67.01882	3.2
69.03448	0.8
70.30509	0.7
71.01378	1.8
73.02943	0.4
80.83735	0.2
81.03442	0.5
83.05025	0.5
85.02939	3.9
87.00867	4.7
93.03448	23.3
94.03797	0.8
96.96027	0.4
98.19865	0.2
99.00871	0.3
99.04504	0.4
109.02943	0.3
111.00849	0.4
111.04513	3.2
113.02398	0.3
119.05014	7.2
120.05354	0.2
127.03974	1.3
129.01910	0.5
135.04587	0.3
137.02425	0.8
143.03455	0.2
145.02899	1.1
151.04025	0.2
155.03453	1.0
163.03990	8.6
164.04295	0.4
171.03030	0.2
173.04524	20.1
174.04839	1.2
191.05586	100.0
192.05914	3.8
267.94711	0.3
289.92569	0.2
337.09256	33.0
338.09549	3.5
356.84702	0.2
357.13467	0.5
427.64059	0.2
459.82092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72100	0.3
55.01856	0.5
57.03443	0.3
59.01374	4.4
60.60302	0.4
61.76000	0.3
61.98822	8.5
71.01377	4.8
72.99306	1.4
73.02952	1.9
80.85831	0.3
83.01376	0.6
85.02927	2.2
87.00862	0.5
88.15010	0.3
88.98792	1.4
89.02438	2.3
89.03944	1.6
90.99203	0.3
96.96008	1.6
97.02948	0.4
98.20615	0.9
99.00877	1.2
99.92553	0.5
101.02443	3.1
106.04234	0.4
111.00854	0.6
113.02444	1.0
115.03972	0.4
116.92841	5.9
117.01980	0.4
117.03455	6.4
117.92847	0.4
119.05052	0.4
131.03572	0.4
132.02161	2.3
133.02899	0.9
134.03722	93.3
135.04019	4.2
137.02419	0.5
149.02458	0.6
149.06047	7.8
150.03210	0.4
150.06477	0.5
160.01628	9.6
161.02173	0.7
161.04573	0.5
163.04021	0.5
165.05502	0.5
175.03972	10.2
176.04305	0.6
177.01820	0.4
178.02620	0.5
179.03581	0.6
193.05023	100.0
194.05345	6.0
223.06024	0.4
229.26276	0.4
451.85269	0.3
464.34760	0.3
511.24896	0.4
609.38177	0.9
610.39453	0.4
705.31158	33.7
706.31445	8.9
741.42987	9.8
742.43243	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	741.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03434	1.8
58.00610	0.7
59.01096	0.8
59.01375	15.1
59.60110	0.4
61.98830	3.4
67.31569	0.4
68.99774	0.4
69.03456	0.8
70.47433	1.4
71.01372	25.9
72.99303	1.7
73.02937	10.9
75.00872	0.8
81.03442	0.4
83.01386	5.3
83.38139	0.4
85.02940	12.2
86.00082	1.3
87.00861	2.5
89.02432	6.7
93.59480	0.4
95.01405	2.1
96.15622	0.5
96.96014	2.6
97.02921	1.7
99.00873	5.8
101.02433	19.7
101.88743	0.5
102.02747	0.7
106.04243	0.4
111.00858	4.3
111.79702	0.4
113.02438	8.8
115.03986	0.8
117.03429	1.5
119.03492	0.7
125.02438	2.1
129.01918	0.9
131.03485	1.3
132.02180	0.7
134.03725	20.4
135.04077	0.8
141.01863	0.7
143.03467	1.0
149.06021	1.9
159.02966	1.4
160.01639	2.6
161.04619	2.3
161.65527	0.4
175.03970	2.4
179.03378	0.4
193.05020	23.5
194.05359	1.4
233.06702	0.6
252.94054	0.5
256.42755	0.4
270.86896	0.5
274.74466	0.5
323.96930	0.5
357.48584	0.5
366.12329	0.5
447.33008	2.5
473.30743	0.5
579.37653	1.3
605.69391	0.5
609.38385	7.1
610.38715	0.8
705.31012	8.2
706.31427	1.8
741.42719	100.0
742.42957	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	742.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32410	0.2
59.01374	0.5
60.99299	0.3
61.98824	100.0
62.98536	0.2
71.01389	0.3
72.83794	0.1
84.76749	0.2
87.00890	0.4
88.00396	0.4
88.98796	2.2
89.02442	0.6
98.20637	0.3
125.02444	0.2
217.09241	0.2
229.59471	0.2
281.24918	0.4
282.25327	0.5
283.25723	0.2
397.13489	0.4
398.13943	0.3
399.14008	0.7
400.14194	0.4
421.52814	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
58.00585	1.2
59.01374	29.4
59.01674	1.4
66.67024	0.5
68.50591	0.6
69.03451	1.5
70.28291	2.4
70.53546	0.6
71.01379	20.3
72.99290	1.0
73.02939	23.7
83.01376	6.0
85.02940	4.2
87.00862	2.0
89.02431	8.7
93.03434	1.9
95.01355	1.4
98.19915	0.7
99.00812	0.8
101.02432	18.2
106.32853	0.6
107.05006	0.7
113.02431	8.8
119.03500	4.1
119.05017	1.9
123.04491	1.7
131.03439	0.9
133.02950	1.9
134.03732	0.8
135.04507	48.5
136.04848	2.4
143.03532	0.8
145.72475	0.6
147.04529	0.7
153.05556	1.3
161.02419	6.2
161.04556	1.8
163.03993	2.5
173.04527	5.2
179.03473	8.4
185.54849	0.6
191.05566	11.9
269.82095	0.7
281.06839	0.6
281.10312	0.8
296.62012	0.6
297.09729	9.0
298.10040	1.1
315.10828	29.8
316.11118	2.6
341.08603	1.9
341.12408	1.3
353.08716	6.6
354.09079	1.0
357.11859	100.0
358.12207	11.2
389.10724	2.1
463.61737	0.7
476.73645	0.6
528.02802	0.7
552.68640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.8
60.99303	20.7
61.94906	0.8
62.88713	0.8
69.36732	7.8
71.01365	3.6
80.79548	0.8
85.02922	4.6
88.98799	100.0
89.02453	2.4
95.01373	1.5
109.02929	1.1
110.59531	0.9
113.02435	8.9
113.64230	0.9
116.92848	2.6
123.03741	1.0
123.04495	6.2
132.02133	1.9
133.02946	27.2
134.03471	0.8
135.04504	29.9
136.04851	2.4
149.02397	1.1
150.03160	5.7
151.03987	16.8
161.02429	86.9
162.02797	4.4
163.16751	1.0
173.04532	4.1
179.03481	52.9
180.03812	3.2
343.36368	0.9
357.15292	1.1
423.38702	0.9
459.15036	2.3
487.14578	5.8
621.18158	50.3
622.18420	9.2
653.20795	57.3
654.21063	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	743.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28239	0.8
59.01372	15.0
67.01883	4.2
69.03451	8.8
69.53289	5.7
71.01379	9.2
72.01688	0.8
72.99259	0.8
73.02922	2.2
81.03444	0.9
83.01384	1.4
83.74194	1.0
85.02931	8.0
87.00861	2.6
89.02439	4.5
91.16690	0.8
93.02851	1.2
93.03447	24.8
95.05058	1.3
98.19904	1.7
101.02440	4.9
107.04993	0.8
109.02930	2.1
111.00840	1.6
111.04513	4.6
113.02438	5.0
119.03451	1.9
119.04979	3.4
119.19611	0.7
121.02953	1.3
121.06553	5.2
123.04499	1.1
126.73027	0.7
127.03981	1.6
133.02907	2.5
134.03708	3.4
135.04507	68.8
136.04805	4.4
137.02422	4.3
137.06082	0.9
137.96326	0.7
139.00348	0.8
139.07568	2.4
147.04474	1.5
151.03836	0.9
153.54823	0.9
155.03500	6.2
161.02411	8.8
161.65135	0.8
163.03983	2.4
165.05524	1.9
173.04529	100.0
174.04878	3.8
177.01895	0.9
179.03470	67.7
180.03824	4.3
187.11314	1.1
191.05583	56.6
192.05901	2.4
205.12337	1.1
209.04482	2.3
216.31218	0.8
249.11302	1.6
269.07965	0.8
281.10217	3.2
290.32700	0.9
299.11261	1.2
311.11353	6.2
330.33600	0.9
337.09146	2.8
341.12271	3.4
345.11676	2.2
353.08713	84.4
354.09052	8.7
357.80283	0.8
389.10776	21.0
390.10953	2.1
425.90204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	21.1
61.98822	51.6
67.01885	3.7
68.99812	11.1
69.03426	1.4
71.01371	4.4
80.89803	0.8
81.03474	0.9
85.02956	4.4
89.02447	2.3
91.05503	1.1
93.03441	5.6
95.01389	1.6
96.96021	2.6
99.00848	1.6
99.04525	0.8
101.02428	15.9
105.01914	1.4
105.03430	0.9
107.05029	2.0
108.02175	1.0
109.02949	1.9
111.00866	7.3
111.04514	2.6
113.02451	2.1
117.03486	3.1
119.03506	0.9
119.05013	6.3
120.05338	0.8
121.02946	5.0
125.02448	2.8
127.04010	8.2
132.02177	3.6
133.02939	38.7
134.03745	18.2
135.00912	1.0
135.04515	37.6
136.01646	2.5
136.04916	1.2
137.02435	5.5
137.06065	6.0
139.00343	4.2
143.03494	1.5
145.02907	3.5
147.04501	1.3
149.02435	4.3
149.06032	5.2
150.03198	0.9
151.03998	4.2
151.07634	4.2
153.01933	2.7
153.05574	1.0
160.01631	3.7
161.02425	100.0
162.02719	5.0
163.03954	6.6
164.01027	0.7
164.04761	3.4
165.01913	0.9
165.05527	1.9
171.02954	2.3
175.03929	3.1
176.04472	0.8
177.05539	8.7
178.02750	0.9
179.03477	30.2
180.03859	1.9
181.04994	0.8
189.01891	9.9
189.05656	0.6
190.02576	2.1
191.03453	0.8
193.05029	16.7
194.05408	2.1
195.06599	5.3
203.03453	1.1
205.04994	2.2
207.02946	1.4
209.04518	1.1
221.04498	18.6
221.06541	1.4
222.04797	0.7
223.06087	6.1
235.06065	2.0
243.06567	0.8
251.05583	9.1
257.08206	1.9
265.07132	1.6
269.04483	1.9
281.06616	18.1
282.06949	1.0
285.04074	0.9
291.08701	17.8
292.09012	1.4
299.09097	1.3
307.08093	2.1
315.12167	1.2
317.10178	3.6
323.07669	19.5
324.07968	1.5
327.08633	3.4
337.19208	0.7
341.08664	14.5
342.09222	1.1
357.13333	1.3
358.13895	0.8
359.11261	2.8
419.13376	2.3
499.14713	1.0
513.09448	0.7
545.12830	5.7
546.12823	1.0
581.19147	0.9
597.18182	1.3
605.15100	1.2
620.95868	0.7
651.17181	1.0
683.19525	0.9
705.30786	2.1
707.31946	3.3
743.21674	32.1
743.33655	1.5
744.21930	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	743.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.2
57.80482	2.0
59.01375	41.0
61.98824	66.1
66.77868	2.1
67.01898	11.8
67.23085	2.2
68.99820	10.0
69.03448	92.3
71.01373	18.1
85.02959	4.3
87.00863	2.8
89.02406	9.8
91.27651	2.0
93.03448	46.9
95.01352	3.4
95.05014	30.5
96.95999	5.0
98.20641	4.8
101.02412	19.5
105.82001	2.0
106.04243	9.3
108.02207	2.6
109.02956	3.7
111.00867	13.8
111.04511	5.8
111.08115	2.7
113.02431	9.5
119.05023	5.0
121.02950	33.1
121.06582	66.8
122.06912	2.2
123.04520	13.9
125.02420	3.5
127.03992	3.5
132.26784	2.1
133.02983	2.6
134.03720	10.0
135.04501	7.2
137.02432	6.8
137.06114	2.2
139.00360	30.7
139.07637	25.3
145.02943	4.7
147.04500	4.8
149.02386	11.3
149.06078	2.4
155.03459	6.9
161.02431	10.1
165.05534	26.9
173.02333	4.9
173.04535	100.0
174.03186	14.3
174.04727	4.1
175.04004	3.7
179.03502	5.0
183.06602	5.1
183.10226	5.0
188.04768	3.5
191.07170	4.5
193.05005	7.6
195.06593	2.2
202.02719	3.9
209.04489	26.1
209.06136	2.2
215.03545	2.8
217.04999	7.0
221.06071	2.7
222.06596	2.5
233.06046	2.7
235.07841	2.7
237.05568	6.9
239.07094	3.3
248.04782	2.7
249.05467	7.3
250.06209	4.0
251.07147	3.0
256.71918	2.2
261.05429	5.2
261.11273	2.5
262.06219	3.9
263.06891	5.9
264.07870	4.6
265.04974	12.6
265.08545	2.3
266.05759	4.1
267.06622	14.5
268.07211	3.9
277.05017	7.7
278.05966	4.4
279.06558	14.5
279.10013	4.1
280.07263	8.4
281.08160	3.5
282.08945	6.7
283.09753	2.5
285.03412	2.1
293.04514	8.8
293.08102	6.0
294.05246	7.5
294.08966	8.1
295.05914	4.7
295.09317	3.0
297.11285	3.8
305.04520	6.9
305.10519	2.5
305.13654	3.4
306.05261	4.2
307.06155	5.4
308.06812	20.7
309.07706	15.9
310.08289	2.5
320.06827	7.1
321.07571	10.4
322.08252	7.4
323.05615	9.3
323.09134	61.4
324.09760	11.8
326.07870	3.6
335.09152	7.0
336.10220	3.5
337.06952	4.0
338.07828	15.9
339.08496	7.0
339.12189	4.8
341.10233	19.9
353.10284	88.8
354.10657	9.2
364.09329	4.1
365.06415	5.5
367.11563	2.9
371.11304	5.3
375.14154	2.7
380.08969	9.4
381.09540	2.5
383.11261	14.0
389.10870	10.0
395.11301	41.0
396.11603	3.6
407.17047	5.0
413.12231	7.1
425.12262	5.4
443.13333	9.0
455.13492	9.6
473.14423	8.8
483.12921	2.1
485.14648	4.1
497.14502	3.3
503.15863	2.5
515.15509	5.4
533.16315	10.8
534.17096	2.5
559.10187	2.4
563.17719	3.7
569.22095	20.3
570.22699	5.8
631.91632	2.7
655.23120	2.7
669.21997	27.5
670.21991	5.3
681.21649	26.6
682.22058	7.3
699.23206	10.2
700.22449	2.7
713.20734	17.3
714.21179	4.3
725.20392	12.5
726.20343	2.9
743.21014	67.6
744.21259	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	743.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.2
57.80482	2.0
59.01375	41.0
61.98824	66.1
66.77868	2.1
67.01898	11.8
67.23085	2.2
68.99820	10.0
69.03448	92.3
71.01373	18.1
85.02959	4.3
87.00863	2.8
89.02406	9.8
91.27651	2.0
93.03448	46.9
95.01352	3.4
95.05014	30.5
96.95999	5.0
98.20641	4.8
101.02412	19.5
105.82001	2.0
106.04243	9.3
108.02207	2.6
109.02956	3.7
111.00867	13.8
111.04511	5.8
111.08115	2.7
113.02431	9.5
119.05023	5.0
121.02950	33.1
121.06582	66.8
122.06912	2.2
123.04520	13.9
125.02420	3.5
127.03992	3.5
132.26784	2.1
133.02983	2.6
134.03720	10.0
135.04501	7.2
137.02432	6.8
137.06114	2.2
139.00360	30.7
139.07637	25.3
145.02943	4.7
147.04500	4.8
149.02386	11.3
149.06078	2.4
155.03459	6.9
161.02431	10.1
165.05534	26.9
173.02333	4.9
173.04535	100.0
174.03186	14.3
174.04727	4.1
175.04004	3.7
179.03502	5.0
183.06602	5.1
183.10226	5.0
188.04768	3.5
191.07170	4.5
193.05005	7.6
195.06593	2.2
202.02719	3.9
209.04489	26.1
209.06136	2.2
215.03545	2.8
217.04999	7.0
221.06071	2.7
222.06596	2.5
233.06046	2.7
235.07841	2.7
237.05568	6.9
239.07094	3.3
248.04782	2.7
249.05467	7.3
250.06209	4.0
251.07147	3.0
256.71918	2.2
261.05429	5.2
261.11273	2.5
262.06219	3.9
263.06891	5.9
264.07870	4.6
265.04974	12.6
265.08545	2.3
266.05759	4.1
267.06622	14.5
268.07211	3.9
277.05017	7.7
278.05966	4.4
279.06558	14.5
279.10013	4.1
280.07263	8.4
281.08160	3.5
282.08945	6.7
283.09753	2.5
285.03412	2.1
293.04514	8.8
293.08102	6.0
294.05246	7.5
294.08966	8.1
295.05914	4.7
295.09317	3.0
297.11285	3.8
305.04520	6.9
305.10519	2.5
305.13654	3.4
306.05261	4.2
307.06155	5.4
308.06812	20.7
309.07706	15.9
310.08289	2.5
320.06827	7.1
321.07571	10.4
322.08252	7.4
323.05615	9.3
323.09134	61.4
324.09760	11.8
326.07870	3.6
335.09152	7.0
336.10220	3.5
337.06952	4.0
338.07828	15.9
339.08496	7.0
339.12189	4.8
341.10233	19.9
353.10284	88.8
354.10657	9.2
364.09329	4.1
365.06415	5.5
367.11563	2.9
371.11304	5.3
375.14154	2.7
380.08969	9.4
381.09540	2.5
383.11261	14.0
389.10870	10.0
395.11301	41.0
396.11603	3.6
407.17047	5.0
413.12231	7.1
425.12262	5.4
443.13333	9.0
455.13492	9.6
473.14423	8.8
483.12921	2.1
485.14648	4.1
497.14502	3.3
503.15863	2.5
515.15509	5.4
533.16315	10.8
534.17096	2.5
559.10187	2.4
563.17719	3.7
569.22095	20.3
570.22699	5.8
631.91632	2.7
655.23120	2.7
669.21997	27.5
670.21991	5.3
681.21649	26.6
682.22058	7.3
699.23206	10.2
700.22449	2.7
713.20734	17.3
714.21179	4.3
725.20392	12.5
726.20343	2.9
743.21014	67.6
744.21259	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	743.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40535	0.6
59.01094	0.7
59.01372	8.7
61.98827	12.0
63.02389	1.5
65.00318	1.0
65.03944	1.1
67.01879	2.8
68.99825	5.3
71.01370	2.6
71.62750	0.9
79.74370	0.6
81.03453	0.6
85.02934	2.5
88.98768	0.7
89.02422	1.7
91.01886	7.4
93.03442	2.9
95.01401	1.2
96.96007	2.1
99.04522	0.6
101.02427	9.1
107.01376	1.3
107.05019	1.6
109.02936	6.9
109.06607	0.7
111.00878	6.2
111.04489	1.4
113.02468	1.5
114.05585	0.6
117.03446	6.0
119.05013	2.8
121.02945	3.7
125.02393	1.8
127.04018	4.8
132.02138	1.1
133.02959	5.0
133.06590	0.8
134.03734	16.9
135.00871	17.4
135.04533	7.2
136.01636	0.7
137.02417	2.3
137.06099	1.6
139.00359	2.4
145.02925	5.2
147.04501	1.4
149.02420	13.7
149.06084	1.9
150.03073	2.0
151.00374	1.3
151.03978	1.2
152.01167	0.7
153.01918	19.9
153.05542	0.8
154.02260	0.9
155.10648	0.7
159.04485	1.7
160.01640	2.9
161.02432	17.0
161.06082	1.2
163.03986	4.9
164.04779	11.4
165.05524	1.7
170.03647	0.8
171.02946	1.8
171.04437	1.9
175.00389	1.4
175.03967	2.7
177.05461	1.0
179.03464	6.3
179.07111	1.6
183.04460	1.2
189.01895	1.1
190.02689	4.0
193.01367	1.0
193.05038	16.7
194.05377	1.6
195.06543	1.4
197.06133	0.7
201.53323	0.6
203.03474	2.2
205.05038	5.0
208.03738	3.9
209.11751	1.0
215.03494	5.6
223.06091	39.0
224.06418	2.9
225.05481	1.5
227.03542	0.8
243.06706	0.7
257.08099	1.7
265.07309	0.7
268.03754	12.6
269.04507	100.0
270.04858	7.9
273.07874	1.0
285.07599	0.7
291.08704	15.0
292.09091	1.2
307.08191	1.9
315.08701	0.8
317.10181	3.0
356.12302	0.8
359.11395	1.0
371.14944	1.4
411.09351	2.5
419.13501	1.4
435.12833	0.9
499.14392	4.9
567.75238	0.7
577.15887	1.0
597.18304	2.3
635.16150	2.7
705.31354	2.1
706.32422	0.8
707.32581	7.3
708.33301	1.4
725.24347	0.9
743.25110	47.2
744.25537	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	743.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03429	3.2
58.70473	0.7
59.01372	45.7
60.01714	1.4
65.00307	1.7
65.03938	1.4
67.01878	10.7
68.99809	25.0
69.03437	1.4
69.30796	1.9
69.31207	4.8
71.01370	27.8
73.02932	1.9
75.00868	1.1
81.03429	1.2
82.42638	0.8
83.01376	2.5
84.02180	0.9
85.02941	29.4
86.03272	0.9
87.00873	4.2
89.02431	15.8
91.05516	2.4
92.99833	0.7
93.03445	11.9
95.01379	15.4
95.29207	0.7
96.95979	1.2
97.02924	4.7
99.00858	4.3
99.04496	1.1
101.02432	43.3
102.02773	1.1
107.05007	3.6
108.02171	0.7
109.02926	1.2
111.00855	15.6
111.04492	2.8
113.02432	72.3
114.02764	2.2
117.03422	3.0
119.03522	5.1
119.05011	15.4
120.05280	0.9
121.02930	9.0
123.04516	1.1
125.02451	5.0
125.06052	3.0
127.04021	14.3
127.48024	0.7
130.36676	0.9
131.03464	2.2
133.02948	10.5
134.63133	0.8
135.03494	0.9
135.04507	17.5
136.05327	0.7
137.02394	2.6
137.06064	7.4
138.06416	0.9
139.00380	7.7
143.03456	8.3
145.02881	2.6
149.06039	2.2
151.03955	3.2
151.07623	19.0
153.01903	3.7
153.05524	3.6
159.04489	0.9
161.02402	32.0
161.04523	28.4
162.02724	2.2
162.04895	1.2
163.03987	18.3
165.05516	0.9
167.07109	5.0
171.03014	4.8
175.04005	2.2
177.05534	3.8
179.03445	15.3
179.05574	9.3
180.03845	1.1
189.01917	33.2
189.83810	0.8
190.02293	1.3
193.05032	4.8
195.06592	22.7
196.06993	1.6
197.51537	0.9
203.03487	1.5
207.02882	3.0
221.02385	1.3
221.04521	25.1
222.04785	1.7
223.13316	1.1
239.05579	1.7
257.08209	4.9
259.05963	0.7
275.09204	1.8
281.06522	1.3
291.08710	50.1
292.08997	3.6
305.06744	0.7
313.58408	0.9
315.12329	14.7
316.12704	1.5
317.10266	12.5
323.09833	1.8
327.08661	3.5
331.11786	6.0
333.06064	0.9
341.10431	2.2
359.11295	100.0
360.11642	10.4
365.08966	0.9
419.13333	10.7
420.13620	1.4
485.14471	1.6
503.15488	2.1
683.22052	2.4
692.49866	0.8
743.24011	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	743.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
59.01376	9.3
61.98824	10.7
63.99235	0.6
65.03960	1.0
67.01884	8.2
68.03448	0.6
68.99810	8.9
69.03451	6.5
71.01371	6.9
71.37142	0.5
71.62783	0.8
73.02978	0.7
74.78947	0.6
81.03448	1.4
83.01372	0.7
83.05025	1.6
85.02949	1.1
87.00884	1.2
89.02450	2.3
93.03448	46.4
94.03800	1.7
95.01363	1.0
95.05029	1.8
96.96019	2.0
99.00900	0.6
99.04537	0.8
101.02432	11.4
107.05029	0.7
108.02168	1.1
109.02966	1.0
111.00867	7.5
111.04499	7.1
113.02459	1.4
116.92846	0.7
119.05021	1.4
121.02945	12.6
121.06615	1.1
121.10210	1.3
123.04522	1.1
125.02424	1.0
127.03969	1.1
132.02164	1.1
133.02980	1.8
134.03725	5.7
135.04507	7.4
136.01646	0.9
137.02431	8.0
139.00374	3.8
143.03500	0.7
145.02919	0.9
147.04485	1.6
149.02408	14.0
150.03101	1.1
151.04036	1.3
153.01944	4.4
155.03484	6.5
160.01656	1.8
161.02417	4.6
164.04758	4.6
165.05502	2.0
165.09195	1.3
173.04521	100.0
174.03339	0.8
174.04843	3.4
175.03976	2.0
176.04475	0.6
179.03464	2.7
179.07088	0.8
183.10228	13.6
184.10617	0.8
191.03432	0.5
191.05554	1.4
193.05040	4.9
194.05334	0.8
195.06618	1.4
205.05040	1.0
223.06081	7.6
225.11296	1.7
226.49153	0.6
233.11736	1.3
261.11316	2.9
295.08105	0.7
305.10388	1.4
305.13806	3.0
323.09180	1.9
337.12830	3.6
353.10101	1.9
375.14621	3.2
407.17001	5.8
408.17722	0.7
427.12436	0.8
457.13339	1.3
547.25293	1.9
549.20270	1.0
569.22308	34.1
570.22626	6.8
581.21704	1.0
669.21741	1.1
681.21313	1.1
699.22485	0.7
700.94830	0.6
707.28943	2.6
708.29547	0.8
733.48901	0.7
743.27075	23.0
744.27954	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	743.306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.3
61.22142	0.4
61.98825	5.2
62.02822	0.4
63.99255	0.4
69.03439	2.1
71.01364	2.5
72.99304	0.6
73.02943	0.9
79.01888	0.9
83.01398	0.5
85.02944	1.4
89.02432	1.6
89.03972	1.5
93.03444	0.9
96.95994	1.9
97.02944	0.9
99.00845	0.6
101.02428	1.7
103.65702	0.4
106.04198	0.5
107.01386	0.8
108.02130	1.8
109.02931	0.7
113.02427	1.6
117.03435	5.5
119.05021	0.6
121.02938	3.8
125.02430	1.6
130.26735	0.4
132.02170	3.4
134.03722	94.2
135.00850	2.4
135.03983	5.0
137.02432	1.0
147.04488	1.2
149.02409	21.5
149.06056	8.0
150.02806	1.0
150.06429	0.6
151.00304	0.4
151.04021	0.4
152.01134	5.4
153.01756	0.6
160.01628	10.1
161.02280	0.9
161.04587	0.6
163.03946	0.9
163.53325	0.4
164.04767	17.4
164.06866	0.7
165.01904	0.4
165.05290	1.0
169.05051	0.5
175.00298	1.6
175.03969	9.5
176.04181	0.5
178.02762	0.6
179.03517	0.5
179.07132	2.4
190.02686	3.8
193.05023	100.0
194.05348	7.1
195.05554	0.6
205.05078	4.1
208.03712	4.4
223.06075	40.6
224.06413	3.0
229.27267	0.4
243.06552	6.3
244.06865	0.8
255.02475	0.5
264.55862	0.4
275.07791	0.9
299.56757	0.4
367.73544	0.4
411.09326	0.7
429.10175	0.7
478.18317	0.4
499.14661	2.3
516.28192	0.5
519.15265	0.7
622.38239	0.4
683.39197	0.9
705.31165	7.1
706.31659	2.2
707.32629	30.0
708.32928	6.6
742.43298	0.6
743.22809	1.3
743.42383	1.1
744.58148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64224	3.0
61.98818	19.4
65.21604	2.3
70.62232	7.7
71.80631	2.4
77.61067	2.3
78.95886	4.4
134.04253	2.4
152.99490	3.3
255.23264	5.6
265.49658	2.5
277.21683	100.0
278.22021	11.0
279.23227	2.7
358.38089	2.6
447.22607	2.9
463.21396	2.9
743.41077	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	743.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29042	12.2
61.98822	100.0
62.37022	14.0
66.72023	14.6
68.99577	22.5
71.61875	26.4
74.18764	11.9
112.98553	37.2
120.03650	15.0
147.49551	13.2
169.57118	14.2
207.57260	14.5
211.13376	19.5
277.21671	23.7
280.39694	13.0
304.88406	14.8
341.89194	16.0
463.05081	15.6
562.86188	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46222	0.2
58.28254	0.2
59.01363	0.6
61.98821	0.3
69.41364	2.1
71.01373	2.0
71.37926	0.2
73.02934	2.4
75.33526	0.3
76.52969	0.2
85.02966	0.4
87.00858	1.8
89.02432	0.4
89.03954	1.9
93.03461	0.6
99.00881	0.4
101.02444	0.6
103.04013	0.7
108.02116	0.3
117.02044	0.5
117.03457	7.3
118.03802	0.4
133.02953	0.3
134.03726	78.5
135.04028	3.3
137.02420	0.7
139.04050	0.3
147.02979	0.8
147.04544	0.5
149.02417	0.5
149.06062	6.4
150.06409	0.4
153.17180	0.2
161.20238	0.2
164.04781	0.3
165.04063	0.7
165.05493	0.6
167.03468	0.7
173.04543	0.5
178.02696	2.9
179.03419	0.4
191.05579	0.4
193.05032	100.0
194.05345	5.6
210.09091	0.2
222.75882	0.3
223.06105	1.1
224.06430	0.3
296.37457	0.3
321.15433	0.3
341.08719	26.6
342.08905	2.4
532.18170	0.3
568.03027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47103	0.4
59.01376	6.7
69.36713	0.4
70.86941	0.8
70.87286	0.8
71.01369	5.0
74.38242	0.4
76.52266	0.4
89.02438	3.8
93.03461	1.4
101.02432	2.0
107.52751	0.5
113.02435	1.4
119.03496	1.6
153.09192	84.7
154.09532	5.1
173.04568	3.9
175.65021	0.5
193.04903	0.6
197.08157	100.0
198.08479	6.3
377.14468	63.7
378.14700	5.4
381.31421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31106	0.6
58.00595	1.2
59.01372	20.0
59.01673	1.1
61.77460	0.5
61.98849	1.0
62.24519	0.5
69.03458	1.8
69.44618	1.2
69.45016	3.5
71.01373	13.9
71.01759	0.8
72.99316	0.9
73.02969	0.7
81.03508	0.5
83.01377	0.8
84.01682	0.5
84.02181	0.6
85.02936	3.3
87.00909	1.1
89.02435	15.7
93.03435	5.5
95.01392	1.2
95.05044	0.7
95.28059	0.5
101.02432	6.8
101.03062	0.7
105.03394	0.7
105.51322	0.6
108.02221	0.7
109.02995	0.8
111.00901	0.7
113.02428	5.2
119.03484	7.1
119.04950	0.5
121.02942	11.5
122.03727	18.2
123.00885	1.1
123.04498	1.0
124.01658	1.1
125.02438	0.7
131.03517	0.7
132.02170	1.2
133.02933	2.6
134.03699	1.7
135.04515	9.3
136.01646	13.3
137.02477	4.0
139.03986	1.5
143.03520	1.0
145.02977	0.7
146.03741	0.6
146.77641	0.6
147.04509	1.8
149.02422	31.0
149.06052	1.3
150.03204	100.0
151.00348	3.0
151.04010	18.1
152.01067	1.0
152.04442	0.9
153.01828	0.7
153.05499	0.7
154.02536	0.9
155.10716	0.7
159.04504	1.4
160.01662	0.8
160.05235	1.7
161.02399	2.2
161.04547	1.3
161.05994	0.9
162.03207	7.0
163.03966	2.9
164.04765	6.5
165.05542	93.1
166.02699	11.6
166.05873	4.6
167.03519	2.9
172.05315	0.9
173.02341	0.9
173.04532	0.7
174.03151	0.7
175.03970	4.4
176.04568	0.9
177.05515	3.8
179.03419	1.1
179.05566	4.6
179.07124	1.4
180.04224	7.2
181.05037	15.7
182.05377	1.3
189.05569	2.9
190.06284	7.3
191.06998	1.0
194.05623	0.6
195.06599	54.1
196.06895	3.2
203.07098	1.1
205.04996	0.7
205.08589	1.1
206.05780	0.6
221.08232	1.0
239.03218	0.5
252.14723	0.6
266.05707	1.0
279.06427	0.6
282.05328	1.1
297.07468	1.6
299.09042	0.7
309.07376	0.9
312.06232	1.0
314.08011	1.0
315.08545	1.9
322.08331	0.7
323.09106	1.3
324.09836	1.3
325.06976	1.0
325.10571	0.9
326.01566	0.5
327.08661	2.7
327.11911	0.7
329.10214	2.9
339.08490	3.2
339.12320	1.9
342.10883	4.0
343.11398	0.7
354.10876	1.2
355.11502	1.3
356.12454	2.3
357.09564	2.3
357.13205	10.0
358.13977	0.7
369.13300	7.7
370.13150	0.6
372.11908	3.0
373.12756	0.8
386.13776	1.2
387.14417	35.7
388.14844	4.8
489.15195	0.7
490.15857	1.6
505.18845	3.9
517.17920	1.0
520.16968	0.8
535.19635	58.7
536.20074	10.8
553.20447	2.3
565.20349	2.3
566.37708	0.6
583.21741	37.2
584.22034	8.1
697.25012	3.3
745.26349	4.2
746.25592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
57.15226	0.6
59.01374	7.4
60.99302	0.7
61.98821	4.3
65.03963	0.6
65.07954	0.5
67.01882	7.8
68.99803	7.9
69.03452	3.1
71.01372	6.1
72.99326	0.5
73.02943	0.8
81.03439	1.6
81.39604	0.5
83.05027	1.7
85.02934	1.5
87.00861	0.6
88.75600	0.5
89.02444	1.3
93.03445	48.3
94.03788	1.7
95.01372	1.2
96.95998	10.9
98.20640	1.4
99.00873	0.7
99.04537	0.8
101.02427	12.9
103.12379	0.5
108.02036	0.6
109.02949	2.1
111.00881	3.3
111.04511	7.7
113.02456	1.1
119.05005	0.8
121.02943	13.9
123.04540	0.7
125.02462	0.6
127.03984	0.6
133.02951	1.9
134.03741	2.7
135.04500	8.0
137.02444	7.0
139.00375	1.5
145.02959	0.8
147.04500	1.5
149.02419	13.6
150.03160	1.7
151.03954	1.0
153.01884	2.8
155.03473	6.1
161.02428	4.2
163.03964	1.1
164.04759	4.9
165.05441	1.1
173.04520	100.0
174.04843	4.2
175.03941	0.5
178.02643	0.6
179.03467	5.9
179.07036	0.7
183.10240	0.6
185.11804	9.8
186.12112	0.6
190.02710	0.8
191.05606	0.6
193.05014	1.8
194.05597	0.6
195.06645	0.8
205.04967	0.9
221.11763	0.8
223.06117	5.4
227.12875	2.3
235.13390	6.5
244.09482	0.5
263.12894	6.6
264.13150	0.7
295.08313	0.7
307.11844	1.9
307.15488	4.3
332.83783	0.4
339.14587	3.8
355.10461	0.7
358.52829	0.5
359.14844	0.9
373.12360	0.6
377.15897	2.2
382.08392	0.5
384.21588	0.6
397.11127	1.0
409.18579	5.4
410.19159	1.0
450.84525	0.5
457.13480	0.8
501.19379	1.0
571.23810	28.7
572.23950	3.9
632.37494	0.7
707.29285	1.3
709.30853	4.8
710.31036	0.7
745.28986	29.2
746.29260	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	746.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21712	0.6
59.01375	6.0
61.98823	23.3
69.03483	0.7
71.01381	7.8
73.02941	0.7
79.38004	0.6
85.02950	6.9
87.00861	0.9
88.09439	0.6
89.02420	3.9
93.03455	1.4
95.01356	3.6
95.05004	1.8
96.96001	1.0
97.02940	0.8
101.02435	2.3
105.03447	0.8
106.04247	1.0
107.05050	0.9
108.02183	1.1
109.02976	1.0
111.00877	0.7
113.02437	14.1
117.03466	0.9
119.05074	0.8
121.02928	1.3
121.06561	2.2
122.03766	0.8
123.04482	1.3
125.02385	0.6
125.74566	0.6
132.02156	1.2
133.02951	35.4
134.03831	4.2
135.04517	74.3
136.01668	0.9
136.04858	2.8
137.02457	6.5
138.03218	2.1
139.04005	1.0
147.04543	1.0
148.01799	0.7
149.02399	1.8
149.06021	0.8
150.03236	5.5
151.03989	2.9
153.09166	1.3
159.04427	0.7
160.01660	1.5
161.02432	95.6
162.02783	4.7
164.04749	1.0
165.01906	6.4
165.05560	5.1
166.02721	3.8
167.03433	1.1
175.03972	2.3
179.03482	100.0
180.03860	6.3
181.05064	3.6
183.06612	4.4
191.05614	2.7
193.05029	1.5
195.06583	3.6
197.08205	1.4
203.03484	1.9
209.04575	2.0
223.06145	0.9
227.05522	7.0
233.04588	0.7
299.07578	0.8
325.09219	1.2
329.08725	3.4
354.48859	0.8
389.10895	6.5
487.14496	16.1
488.08273	0.7
488.14798	2.2
489.16080	1.0
555.22107	0.8
585.22900	0.8
595.36292	0.7
651.19220	61.5
652.19586	11.9
683.21765	24.7
684.22137	6.9
746.24072	1.6
747.25140	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	747.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41892	0.3
58.51614	0.3
59.01371	1.7
61.98822	2.8
71.01379	1.3
71.61738	0.4
72.01066	0.3
82.95387	0.4
85.02936	1.1
87.00838	0.4
89.02448	0.9
93.03444	0.4
95.05024	0.3
96.95996	0.8
101.02438	1.2
103.33675	0.3
109.02914	0.6
113.02415	1.1
114.01944	0.4
119.03486	0.4
121.03014	0.5
123.08141	2.1
125.09718	7.5
127.04010	0.5
133.02968	0.7
134.03722	1.3
135.04480	1.2
135.08127	0.6
136.69957	0.3
137.02397	0.3
141.09195	12.2
142.09564	0.6
149.02426	0.6
149.06067	0.4
150.03198	1.3
151.07707	0.3
153.09190	62.4
154.09549	3.3
160.01672	0.5
161.01225	0.3
161.02396	1.5
162.03055	0.6
163.03928	0.4
165.05423	1.5
167.07056	1.6
169.08649	0.4
171.10245	9.2
172.10593	0.8
173.04488	0.5
175.04036	0.4
177.05511	0.5
178.02647	0.6
179.03474	0.6
179.69405	0.3
185.08167	6.1
191.05576	1.0
193.05028	2.3
195.06619	1.8
197.08160	44.6
198.08469	2.4
215.09200	100.0
216.09531	6.3
220.90352	0.3
235.06029	0.6
241.79698	0.3
247.89197	0.4
291.08868	0.4
361.11954	0.4
377.16150	0.5
389.12207	0.8
573.23987	0.4
585.22028	0.4
685.30792	0.7
746.50110	0.4
747.29639	1.1
748.28027	0.5
752.68671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.7
57.69240	0.7
59.01368	3.1
67.01872	2.4
68.30733	0.7
71.01389	3.7
73.02939	2.7
85.02945	2.4
86.55345	0.7
87.00883	2.9
89.02427	0.9
91.05526	0.8
93.03448	14.5
96.95985	0.7
99.04522	10.0
101.02440	1.0
105.01913	1.3
111.00856	0.9
111.04511	2.3
113.02440	1.2
114.38223	0.7
117.03441	1.3
121.02950	12.3
129.01871	1.2
132.02190	1.6
132.09453	0.8
134.03749	7.6
135.04419	0.7
137.02414	3.1
146.32686	0.7
147.02951	1.5
147.04437	4.3
149.02428	58.1
150.02837	2.2
153.09218	2.9
155.03494	3.0
163.03995	1.6
164.04771	46.7
165.03914	1.0
165.05194	1.7
173.04527	49.9
174.04892	2.0
177.04050	1.0
178.02625	1.1
179.07146	3.7
191.05566	5.6
193.01364	1.3
193.05029	10.1
195.04985	1.3
197.08170	9.9
201.11259	1.0
208.03769	3.6
209.04561	4.1
223.06084	100.0
224.06454	5.6
351.12729	0.8
367.10358	1.1
371.09705	40.1
371.13495	3.4
372.10028	4.4
375.16547	28.8
375.21420	1.0
376.16827	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	747.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.7
57.69240	0.7
59.01368	3.1
67.01872	2.4
68.30733	0.7
71.01389	3.7
73.02939	2.7
85.02945	2.4
86.55345	0.7
87.00883	2.9
89.02427	0.9
91.05526	0.8
93.03448	14.5
96.95985	0.7
99.04522	10.0
101.02440	1.0
105.01913	1.3
111.00856	0.9
111.04511	2.3
113.02440	1.2
114.38223	0.7
117.03441	1.3
121.02950	12.3
129.01871	1.2
132.02190	1.6
132.09453	0.8
134.03749	7.6
135.04419	0.7
137.02414	3.1
146.32686	0.7
147.02951	1.5
147.04437	4.3
149.02428	58.1
150.02837	2.2
153.09218	2.9
155.03494	3.0
163.03995	1.6
164.04771	46.7
165.03914	1.0
165.05194	1.7
173.04527	49.9
174.04892	2.0
177.04050	1.0
178.02625	1.1
179.07146	3.7
191.05566	5.6
193.01364	1.3
193.05029	10.1
195.04985	1.3
197.08170	9.9
201.11259	1.0
208.03769	3.6
209.04561	4.1
223.06084	100.0
224.06454	5.6
351.12729	0.8
367.10358	1.1
371.09705	40.1
371.13495	3.4
372.10028	4.4
375.16547	28.8
375.21420	1.0
376.16827	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	748.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.4
58.25781	1.3
59.01373	23.0
70.91893	2.0
70.92229	2.0
71.01373	16.9
72.99308	2.0
75.24772	1.1
83.01373	1.6
85.02950	2.5
89.02427	17.8
95.95992	1.3
101.02443	12.3
113.02437	6.2
119.03489	10.5
143.03441	2.1
156.79037	1.2
174.13249	1.3
179.05576	8.1
225.22127	4.7
255.23154	2.6
296.26215	1.4
379.15381	1.5
439.85599	1.2
447.85214	1.4
452.20639	1.4
532.47357	15.2
533.47412	4.1
550.48285	6.3
712.53564	100.0
713.53882	23.5
748.51318	34.2
749.51569	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	749.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.98812	1.7
71.01371	1.0
72.99308	0.3
74.84856	0.3
75.00843	0.3
82.95425	0.5
85.02937	0.7
88.98784	0.5
89.02431	0.4
93.03440	0.3
96.95996	2.3
98.19895	0.5
101.02412	0.6
104.69886	0.2
112.15354	0.3
113.02441	0.7
117.03410	0.3
121.02930	0.7
122.03638	0.5
123.04575	0.3
125.09726	0.3
132.02148	0.3
133.02914	1.1
134.03725	2.1
135.04581	1.5
135.08080	0.4
136.01663	0.4
137.02422	0.7
139.03987	0.3
147.04521	0.3
148.05243	0.2
149.02420	1.0
149.06096	0.5
150.03206	3.8
151.03773	0.4
153.09189	72.9
154.09538	3.3
160.01668	0.8
161.02423	2.1
163.04028	0.3
164.04791	0.5
165.05527	3.4
169.08585	0.5
173.04506	0.6
175.03954	1.1
176.04739	0.5
176.42952	0.3
177.05482	0.4
178.02679	0.3
179.03590	0.6
179.07127	0.5
180.04208	0.5
191.07152	0.9
193.05016	3.0
194.05397	0.3
195.06580	1.9
197.08160	100.0
198.08499	6.1
209.11826	1.1
215.09218	1.1
216.09564	0.3
221.08249	0.3
227.12918	0.4
229.34271	0.3
235.06023	1.3
265.06915	0.3
297.10999	0.4
305.45572	0.2
314.29492	0.2
327.12366	0.5
356.12582	0.3
357.13226	0.7
389.12521	0.9
431.13245	0.5
523.19556	0.3
684.26367	0.3
686.25439	0.9
687.27057	0.3
711.20355	0.3
731.27374	0.4
749.26617	2.3
750.27222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.98813	0.6
63.68089	0.4
93.03423	0.5
96.95987	1.2
98.34157	0.7
113.03571	0.6
121.02961	0.5
122.03727	1.2
125.68948	0.6
127.55294	0.5
128.03479	0.8
133.02960	1.2
134.03731	3.8
135.04556	1.2
136.01617	1.0
137.64897	0.5
147.04501	0.8
149.02382	1.2
149.06097	1.5
150.03217	7.0
151.03995	2.5
153.09193	72.5
154.09555	4.3
155.08232	0.9
160.01653	1.0
161.02434	1.2
164.04750	0.9
165.05542	7.5
175.04030	1.0
176.04747	1.2
178.02647	1.0
180.04182	0.9
191.07117	1.2
193.05014	4.1
194.58008	0.6
195.06602	3.4
197.08159	100.0
197.42180	0.5
198.08464	6.0
229.90228	0.6
235.06032	1.8
295.08493	0.7
305.46127	0.5
307.15875	0.5
343.12134	0.5
389.12338	6.8
431.13437	1.2
484.10809	0.6
505.18756	0.6
749.26471	5.2
750.26691	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	749.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73282	0.3
59.01371	5.0
61.10078	0.4
63.93277	0.3
67.01884	23.8
67.05521	0.4
68.02204	0.4
68.99809	16.8
69.03443	2.5
69.84911	2.0
70.41982	0.3
71.01366	3.1
72.04169	0.3
84.07229	0.3
85.02945	3.3
86.47675	0.3
87.00858	0.4
87.87140	0.3
89.02433	2.9
95.05017	100.0
96.05342	3.5
96.96004	0.9
99.04507	0.6
99.41756	0.4
101.02431	36.6
102.02794	0.5
111.00869	9.6
111.04537	1.1
112.01714	0.5
113.02443	1.0
115.05760	0.4
119.03492	1.1
121.02941	11.2
122.03281	0.6
123.04507	2.7
125.02433	0.5
127.03999	66.3
128.04330	1.7
133.02939	0.7
135.04517	0.7
137.06039	0.5
139.00359	25.8
139.03992	18.2
140.00688	1.0
140.04309	0.5
147.04506	1.0
149.02420	0.6
154.06306	0.4
161.02483	1.2
161.04607	0.4
165.05556	6.1
171.02992	1.3
178.36330	0.4
179.03474	0.4
179.05566	2.6
179.46245	0.4
183.10179	1.9
209.04521	4.1
218.90004	0.3
223.06161	0.5
225.05962	0.3
241.07152	42.0
242.07509	3.1
363.16611	3.4
446.94537	0.5
477.12262	0.4
539.25952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
61.98820	0.1
70.22980	0.2
70.23373	0.1
70.55358	0.1
71.01361	0.2
77.04831	0.1
77.88511	0.1
79.95730	3.3
85.02924	0.2
96.96001	100.0
97.95937	0.4
113.02448	0.2
123.04593	0.1
133.02936	0.7
135.04538	0.6
146.20593	0.1
151.03923	0.1
161.02429	1.7
162.02718	0.1
173.04523	0.3
179.03481	0.7
250.76414	0.1
341.08957	0.1
363.16406	0.1
503.83420	0.1
621.18427	0.3
623.19769	0.5
653.20459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63434	0.4
55.01871	0.8
58.00576	2.5
59.01372	59.9
59.87516	0.5
67.01882	6.8
68.99811	9.3
69.03445	26.8
69.77017	2.0
69.77426	0.9
70.03782	0.8
71.01374	44.6
72.99310	2.6
73.02943	2.1
78.49937	0.4
83.01357	1.5
85.02949	6.8
87.00850	3.1
89.02434	55.3
90.02763	0.7
93.03442	1.8
95.01372	4.6
95.05014	28.6
95.37262	0.5
96.05367	0.9
97.03000	0.7
98.20665	0.5
99.00858	1.0
99.04510	1.8
101.02435	40.1
101.90737	0.5
102.02759	1.0
106.04253	0.5
107.03458	0.7
108.02191	0.5
110.37468	0.6
110.89290	0.5
111.00873	17.3
113.02438	18.3
114.02783	0.7
119.03492	20.9
119.04983	2.4
121.02943	100.0
121.06563	3.8
122.03271	3.6
123.04507	21.2
124.04829	1.1
125.02446	1.0
127.03999	10.2
127.54118	0.5
128.04321	0.5
131.03508	3.1
133.02930	0.8
135.04512	2.1
137.06035	2.6
137.07004	0.5
139.00348	16.7
139.01401	1.0
139.03995	1.6
140.00713	0.6
143.03482	6.5
147.04532	6.4
149.02444	4.7
149.04532	2.3
153.01953	0.8
153.05453	0.6
161.02504	3.0
161.04518	8.5
163.03999	1.4
165.05547	16.5
166.05850	1.3
177.05594	0.6
179.05614	53.1
179.07114	10.6
180.05922	1.3
180.07423	0.6
181.05037	4.4
191.03510	5.0
209.04573	2.8
215.09215	1.5
223.06075	39.7
224.06403	2.7
241.07138	1.4
327.10861	0.6
333.08313	3.2
371.04922	1.2
371.09756	45.6
372.10086	4.7
403.12387	61.1
404.12686	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	751.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
57.83865	0.5
58.00593	1.4
59.01371	31.4
59.98525	0.5
69.37954	4.3
71.00986	1.0
71.01373	19.9
72.99311	0.8
83.01370	1.2
85.02941	4.2
87.00861	1.8
89.02428	19.7
90.02762	0.6
93.03407	0.5
95.01370	1.6
96.95981	0.6
97.03025	0.6
99.04498	1.8
101.02422	12.9
113.02418	7.3
113.09705	12.1
113.49252	0.5
114.10101	0.6
119.03489	9.3
135.04611	0.6
136.64951	0.5
141.09230	3.4
143.03467	2.1
143.10767	0.9
155.10704	1.8
158.52884	0.6
159.10237	36.5
160.10558	2.1
161.02425	1.2
161.04538	1.7
161.13324	4.4
173.04486	1.5
179.05574	7.9
187.11299	1.1
201.11380	0.6
205.12292	11.6
206.12593	0.6
249.11281	19.8
250.11719	1.2
260.45294	0.5
312.10321	0.5
321.15472	100.0
322.15771	8.1
385.18515	1.2
429.17551	18.8
430.17859	1.9
453.97458	0.5
474.20850	0.5
584.56433	0.6
598.90649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61248	0.3
59.01370	1.4
61.98821	0.8
71.01385	1.0
71.62353	0.4
72.99301	1.7
75.00863	100.0
76.01202	0.9
89.02443	1.2
96.96009	0.7
101.02422	0.9
101.31154	0.4
104.84832	0.4
111.81316	0.4
119.03512	0.8
125.02462	0.5
181.86031	0.4
190.11635	0.4
200.16998	0.4
235.08131	0.6
240.54268	0.3
241.19194	0.3
277.21704	4.1
295.74152	0.4
340.05106	0.4
397.13446	6.1
398.13867	1.1
415.14490	1.6
535.23285	0.4
619.64172	0.4
732.44427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.1
59.01382	9.9
59.81240	1.5
61.50986	1.8
61.98832	13.2
66.33849	1.6
69.03455	3.4
71.01041	2.6
71.01377	29.9
73.02915	5.1
81.03414	3.4
83.01377	2.3
85.02942	17.0
89.02418	3.5
92.92780	1.9
95.01368	3.3
96.96011	4.0
97.02911	3.0
99.00864	2.0
101.02464	3.9
113.02448	21.1
116.92896	2.3
119.76486	1.7
125.02424	5.5
137.02449	1.6
138.03210	1.9
150.03212	38.3
159.04465	1.8
160.23782	1.8
165.05525	5.7
168.04163	2.2
175.07536	2.0
214.33517	1.7
255.48726	1.7
277.21674	48.6
278.21878	3.7
291.23160	2.4
293.21121	4.1
311.17014	9.7
329.13791	6.1
363.50412	1.9
373.24084	3.6
491.17661	19.2
520.14404	2.1
736.36096	3.4
751.38947	100.0
752.39569	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10299	0.2
57.03444	0.3
58.00551	0.2
59.01370	3.3
61.75803	0.2
61.98840	0.4
71.01369	3.9
73.02945	0.2
78.95928	0.3
83.01379	0.3
85.02941	4.0
87.00849	0.3
89.02435	0.9
89.03980	0.3
91.13658	0.2
95.01387	1.2
95.05042	0.3
95.15121	0.2
96.96001	0.5
98.20679	0.7
101.02421	1.3
105.03462	0.9
107.05018	0.3
113.02441	4.5
115.01933	0.4
117.03464	1.9
119.03496	0.3
123.04519	0.4
132.02156	2.3
133.02939	39.5
134.03191	1.5
135.04507	7.0
136.04791	0.3
137.02422	0.3
143.03505	0.2
144.04512	0.5
147.04482	0.5
160.01616	0.3
161.02422	100.0
162.01488	0.4
162.02757	4.0
179.03474	2.6
199.75735	0.2
249.07903	0.7
264.10477	0.3
444.16617	0.3
590.22144	0.6
752.25439	32.4
753.25574	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	752.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76426	0.4
57.03436	0.8
57.68489	0.5
58.02966	2.4
59.01371	1.4
59.67333	0.5
67.01885	3.2
69.03448	0.9
69.56464	3.3
71.01366	2.8
73.02927	0.5
78.81154	0.4
81.03446	1.4
83.05022	0.9
85.02930	1.0
93.03446	21.7
94.03797	0.5
95.05025	2.2
97.38948	0.5
109.06545	1.0
110.09731	0.7
111.00841	0.8
111.04500	3.9
123.04479	0.8
128.10803	8.6
130.08720	100.0
131.09053	2.3
135.08144	2.2
137.02420	3.6
154.08716	2.6
155.03488	2.6
164.86014	0.5
172.09741	3.4
173.04521	77.2
174.04871	3.3
177.09190	1.0
179.07097	0.7
181.08701	1.0
181.12309	1.7
225.11256	7.8
226.11621	0.9
246.18671	1.7
254.13910	0.6
257.23456	0.5
290.17636	1.8
308.18607	7.7
309.19009	0.8
334.16470	4.2
335.17053	0.7
346.82391	0.5
352.17581	94.8
353.17957	10.5
390.36261	0.5
399.16513	43.4
400.16962	4.7
473.45422	0.5
630.81830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01371	1.6
60.99298	1.1
61.77584	0.2
65.03950	0.2
67.01547	0.4
67.01885	6.4
69.03444	1.3
70.94626	0.5
71.01376	3.3
81.03446	1.0
83.05003	1.1
85.02936	2.8
87.00864	3.6
89.03959	0.6
93.03448	39.1
94.03781	1.1
98.19906	0.2
99.00864	0.5
99.04527	0.5
103.35255	0.2
109.02936	0.9
111.00856	0.8
111.04506	6.6
113.02476	0.6
117.03456	2.0
127.03997	1.0
129.01883	0.4
134.03726	21.3
135.04024	0.5
137.02429	4.0
148.48418	0.2
149.02460	0.2
149.06050	1.8
155.03476	4.3
159.26564	0.2
160.01617	0.3
165.71237	0.2
171.03035	0.4
173.04526	100.0
174.04857	3.7
187.68123	0.3
191.05591	54.6
192.05920	1.8
193.05032	15.4
194.05370	0.8
195.06592	0.4
306.37534	0.3
367.10278	51.7
368.10602	4.9
442.63101	0.3
656.45508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78779	0.1
57.03429	0.4
59.01360	1.1
60.99299	1.4
61.42520	0.2
65.03947	0.2
67.01884	3.8
68.31597	0.1
69.03453	1.1
70.64839	0.2
70.65176	0.2
71.01366	1.7
73.02916	0.2
77.55848	0.2
80.43449	0.1
81.03455	0.9
81.03851	0.2
83.05014	0.6
85.02937	4.3
87.00866	6.2
89.03968	0.2
93.03448	26.9
94.03780	0.7
99.00868	0.6
99.04511	0.6
109.02947	0.6
111.04509	4.2
112.04826	0.2
113.02430	0.6
115.04025	0.3
117.03463	0.8
117.04232	0.1
127.03965	1.2
129.01936	0.7
134.03731	8.7
135.04024	0.4
137.02483	0.4
137.06082	0.5
143.03433	0.2
149.06081	0.4
155.03525	0.9
160.01663	0.2
161.02295	0.2
171.02983	0.3
173.04527	10.8
174.04842	0.4
175.03989	0.7
178.02736	0.4
191.05586	100.0
192.05931	4.2
193.05009	5.7
194.05293	0.3
225.11235	0.2
359.30212	0.1
365.18219	0.3
367.10281	47.2
368.10638	5.4
379.79276	0.1
628.49231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03435	0.7
58.00590	0.4
59.01373	37.2
60.01698	0.7
67.01852	0.4
68.29005	0.4
70.64860	1.2
71.01374	12.4
72.99297	1.0
73.02937	1.0
80.55992	0.3
83.00399	0.4
83.01379	1.2
85.02943	3.7
87.00863	1.2
89.02435	8.7
90.53939	0.4
93.03449	2.3
95.01353	1.0
98.20749	0.4
99.00840	0.4
101.02422	9.4
109.06593	0.5
111.04544	0.4
113.02451	4.1
119.03503	3.5
131.03482	0.6
133.02914	1.1
134.03726	0.6
135.04488	1.2
161.02390	1.6
161.04575	0.4
163.11258	4.4
173.04491	1.8
179.03508	1.2
185.11746	0.7
188.06473	0.4
191.03937	0.6
191.05576	6.6
192.05940	0.4
207.10226	9.3
308.81412	0.4
328.38913	0.4
347.17032	3.5
363.16669	2.8
364.16922	1.7
365.18048	16.2
366.18304	1.7
367.10257	2.4
387.16537	100.0
387.69037	0.4
388.16852	13.0
388.21844	0.7
389.17151	2.6
529.15509	0.6
639.10291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51223	0.4
55.01888	0.5
56.82154	0.4
57.03428	0.6
58.00576	0.8
59.01376	31.4
67.01878	1.3
69.03451	0.8
69.44277	3.6
71.01374	22.1
72.99297	1.2
73.02940	23.0
81.03422	0.6
83.01376	5.7
85.02944	4.5
87.00858	2.7
89.02444	7.9
93.03446	7.5
95.01379	1.7
95.34601	0.5
98.20657	1.0
99.00865	0.9
101.02437	17.4
103.61607	0.4
107.05054	0.6
107.27285	0.5
111.00845	0.7
111.04499	1.3
113.02444	9.2
113.64513	0.5
115.00334	1.0
119.03497	4.3
119.04977	2.4
123.04491	1.6
125.02440	0.8
131.03471	1.5
133.02960	0.9
134.91100	0.5
135.04510	53.3
136.04855	2.2
137.02391	1.0
143.03532	0.8
149.04538	1.1
153.05534	1.0
155.03494	1.8
161.02495	0.7
161.04523	2.0
162.50845	0.5
173.04533	16.1
174.04877	0.8
175.02492	3.8
179.03459	9.9
179.05257	0.6
179.05710	0.7
180.03743	0.6
191.05600	17.5
191.07346	0.9
192.05803	0.6
247.95628	0.4
281.10257	3.8
293.12463	0.5
297.09766	9.7
298.10056	1.1
299.11447	0.7
315.10818	25.4
316.11151	2.1
323.13452	4.6
341.12387	5.9
342.12662	1.0
353.08762	11.8
354.08984	1.1
357.11862	100.0
358.12195	10.3
369.08096	0.5
372.13147	0.5
377.35211	0.5
450.74460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01364	1.9
60.99298	1.2
61.98795	0.4
67.01891	5.3
69.03451	1.5
69.29500	0.9
69.29916	3.0
71.01379	3.2
81.03442	1.0
82.15187	0.4
83.05001	0.6
85.02930	3.0
87.00858	3.0
93.03448	34.4
94.03787	1.6
95.05033	0.7
99.04499	0.5
109.02950	0.9
111.00893	0.7
111.04504	5.5
113.02415	0.7
114.64126	0.5
117.03455	1.1
121.02961	0.4
127.03977	1.1
129.01877	0.6
133.01445	0.7
134.03726	20.9
135.04117	1.3
137.02449	3.3
149.06032	2.0
155.03481	4.8
173.04524	100.0
174.04834	6.0
175.05034	0.9
191.05585	49.0
192.05943	2.8
193.05006	15.1
194.05392	1.7
367.10284	43.9
368.10580	6.3
369.10806	1.7
452.84732	0.4
562.90558	0.4
755.21704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35489	0.3
57.03426	0.4
59.01374	10.9
59.62178	0.4
65.89491	0.4
69.03457	0.7
69.75292	1.3
69.75706	1.0
70.47314	0.4
71.01369	10.0
72.26998	0.4
73.02941	0.7
83.01408	0.6
85.02925	2.5
85.89180	0.4
87.00878	0.8
89.02431	7.5
93.03439	1.1
95.01342	0.7
97.02928	0.6
98.19904	0.5
101.02438	1.4
105.03450	0.8
110.96660	0.4
113.02458	3.3
115.77909	0.4
117.03461	1.6
119.03474	0.7
119.05003	2.8
123.04530	2.9
124.40427	0.4
125.02438	2.5
128.76889	0.4
131.03499	1.3
132.02165	2.3
133.02940	41.2
134.03317	1.3
135.04515	13.2
136.04840	0.7
145.02934	1.5
149.04546	1.0
153.05553	1.6
161.02425	100.0
162.02769	5.2
163.03970	2.6
164.86357	0.4
177.89618	0.4
179.03474	3.6
179.05722	0.5
191.05739	0.6
204.02937	0.4
215.10559	0.8
225.12866	0.5
233.43527	0.5
247.09718	0.4
257.97562	0.4
267.12289	0.4
283.16895	0.6
290.63925	0.5
291.06659	0.8
308.03268	0.4
369.16843	0.5
387.18134	0.8
413.15930	0.9
428.05051	0.5
431.17148	4.1
447.14935	1.3
461.16660	0.6
593.21246	8.9
594.21722	1.6
624.19653	0.5
755.23889	49.8
756.24329	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	755.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64567	0.8
59.01384	12.0
69.76465	2.5
69.76879	1.8
71.01376	9.6
73.02930	1.0
76.84129	0.8
85.02933	2.5
87.00851	1.6
89.02431	8.0
93.03446	2.2
97.02967	1.2
101.02409	1.6
113.02427	2.6
113.29523	0.8
117.03469	1.2
117.30578	0.8
119.05014	8.6
123.04491	2.6
125.02388	1.4
131.03441	1.5
132.02118	1.8
133.02945	37.9
135.04506	14.7
142.25269	0.8
145.02948	3.9
153.05539	1.8
161.02428	100.0
162.02782	5.3
163.04030	5.4
179.03488	3.2
191.05624	1.2
194.23038	0.7
215.10780	0.8
223.13300	1.0
225.12866	1.1
278.68921	0.7
283.16925	1.9
291.06372	4.4
325.09204	0.9
325.18250	0.9
345.68228	0.9
369.16647	1.2
387.18106	1.8
413.15839	1.9
431.17108	12.5
432.17532	0.9
555.80884	0.9
575.21307	1.3
593.21606	13.4
594.21899	3.0
755.23889	50.7
756.24268	12.1
757.41089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01094	0.5
59.01373	7.7
60.99294	0.8
67.01880	4.7
69.03444	1.6
71.01380	5.7
81.03442	0.8
83.05016	1.0
85.02938	1.8
87.00879	2.1
89.02440	1.9
93.03449	31.0
94.03805	0.8
96.95994	0.8
99.00842	0.5
99.04503	0.6
101.02440	1.6
109.02936	1.5
111.00869	0.9
111.04509	5.2
112.04877	0.4
113.02438	1.7
117.03445	1.8
119.03471	0.7
127.03986	1.3
133.01379	0.7
134.03728	22.0
135.04128	0.6
137.02446	4.5
149.06047	1.5
155.03494	4.2
161.02513	0.8
163.11267	0.8
173.04521	100.0
174.04846	3.6
191.05588	33.8
192.05911	1.7
193.05019	15.8
194.05363	1.2
207.10144	1.9
233.04523	0.5
328.83997	0.4
338.28647	0.4
341.08423	0.5
367.10269	36.5
368.10648	4.5
369.10986	0.4
387.16541	25.2
388.16998	2.6
698.64349	0.4
755.21039	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	755.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.7
57.03426	2.7
58.00583	2.0
59.01374	44.0
61.98815	7.6
69.03429	1.8
69.25463	9.7
71.01373	53.3
72.01713	1.3
72.99281	3.5
73.02943	8.7
74.12938	1.1
81.03437	1.5
83.01379	6.6
85.02945	30.5
87.00863	5.8
88.98802	5.5
89.01910	1.8
89.02438	28.1
93.03458	6.3
95.01398	5.4
96.95999	15.0
97.02944	3.8
99.00876	20.7
101.02437	36.1
109.02926	1.5
113.02436	38.5
114.02753	1.8
117.03431	2.3
119.03503	12.4
119.04945	2.4
121.02944	14.6
122.03347	0.9
125.02406	5.1
131.03477	1.9
131.04996	2.2
133.02924	1.6
134.03691	2.7
135.04478	3.8
137.02428	3.4
143.03487	13.4
145.02954	6.4
149.02464	1.6
155.03426	1.6
158.03777	2.5
159.02934	2.1
159.04480	3.3
160.12718	1.1
161.02486	2.1
161.04530	35.9
162.04858	1.4
163.04082	1.1
173.04520	2.0
179.03557	1.4
179.05545	8.8
179.07013	2.2
191.05571	2.6
193.05038	1.8
203.05598	1.5
205.03499	1.1
221.06680	4.9
223.06046	1.6
242.23291	1.0
245.06633	3.0
263.07669	1.9
265.08658	13.5
266.08878	1.5
323.09790	100.0
324.10089	7.9
356.12540	13.2
357.12927	1.6
371.14880	6.2
398.37646	1.2
458.45871	1.1
527.43958	1.1
564.42078	1.2
575.24768	1.2
711.26392	3.7
755.27692	6.4
756.26630	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72506	0.4
57.03429	0.6
59.01379	2.4
60.99290	1.9
67.01884	7.2
69.03445	1.9
71.01365	4.5
81.03454	1.3
83.05014	1.5
85.02950	1.5
87.00873	5.2
89.02432	0.6
93.03447	43.7
94.03775	1.3
95.05022	1.5
99.00864	1.2
99.04509	18.4
101.02436	0.9
101.06049	0.9
103.02927	0.5
105.03444	2.8
109.02940	1.7
111.00867	1.5
111.04508	7.2
113.02425	1.1
118.49850	0.4
127.03973	1.0
129.01895	1.0
133.01421	0.7
133.02950	15.8
134.03328	0.7
135.04524	2.9
137.02451	3.5
149.02458	0.5
155.03464	4.3
161.02399	1.0
173.04523	100.0
174.04845	3.9
177.01933	5.3
179.03424	1.1
183.10263	1.4
191.05600	16.5
192.06012	1.2
201.11266	6.2
209.48477	0.5
215.05580	3.5
273.09781	0.6
273.49521	0.5
297.07855	0.6
307.08099	0.6
337.08990	0.6
351.07193	11.3
351.12216	1.0
352.07233	0.6
353.06628	1.7
375.16553	85.4
376.16898	8.0
383.07846	0.7
541.94623	0.6
650.99896	0.6
755.20667	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98823	11.1
71.01376	2.8
71.62466	0.6
71.62843	0.4
73.02946	0.9
85.02932	1.6
85.59737	0.3
88.98788	0.6
89.02450	1.4
91.01893	0.7
93.03452	1.0
95.38716	0.3
96.95987	2.5
97.02998	0.4
99.00879	0.8
101.02405	1.7
108.72964	0.3
110.30614	0.3
111.00893	0.4
113.02431	1.6
117.03427	0.5
119.01352	0.8
119.05017	0.6
121.02942	9.7
132.02150	1.1
133.02933	1.5
134.03749	2.5
135.03584	0.6
135.04521	6.0
136.04886	0.5
137.85703	0.3
147.00940	0.8
147.04497	4.0
149.02425	61.5
150.02750	3.1
151.03908	0.4
160.01627	0.8
161.02443	4.7
161.04556	0.6
162.02925	0.4
163.04018	0.8
163.65543	0.4
164.04776	57.0
165.05113	2.9
169.05090	0.4
173.04530	0.7
175.00349	4.6
175.03905	1.0
179.03476	3.9
179.07114	5.4
180.03793	0.6
190.02707	11.6
191.03133	0.9
191.05630	0.4
193.05104	1.7
205.05029	11.5
206.05429	0.8
208.03557	0.8
223.06085	100.0
224.06429	6.4
254.79381	0.4
337.09253	0.6
403.13934	0.4
531.28241	1.7
622.35516	0.4
651.39569	0.7
692.29645	1.2
693.31085	4.4
719.46454	0.4
755.34875	18.6
756.25067	0.4
756.35608	5.0
762.23029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	40.0
61.98823	100.0
63.82011	34.9
71.61366	85.8
78.95896	42.9
95.80669	31.4
96.96005	71.9
153.17311	33.8
195.31020	35.7
251.23421	38.5
277.21609	54.8
478.06375	35.5
501.88358	36.1
629.67151	43.8
755.40649	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
58.56455	0.2
59.01372	2.3
69.03442	0.3
69.23369	2.1
71.01370	4.5
72.99284	0.3
73.02981	0.3
76.61172	0.3
81.79137	0.3
82.10094	0.3
85.02938	7.3
89.02446	1.0
89.03974	0.5
89.07235	0.2
95.01376	2.8
104.02662	0.3
105.03452	1.2
113.02436	10.5
114.02796	0.4
117.03453	2.2
132.02158	3.0
133.02939	46.0
134.03781	7.1
135.04510	14.8
136.04782	0.5
137.02452	0.3
138.03127	0.3
143.03499	0.7
149.06041	0.7
160.01616	0.8
161.02419	100.0
162.02754	4.8
175.04002	0.6
178.02692	0.4
179.03470	16.5
180.03870	1.0
193.05020	10.8
194.05377	0.6
225.04274	1.1
235.06024	0.3
253.03749	4.4
254.04485	4.4
255.05058	0.4
268.06152	2.0
312.03027	0.3
325.09256	0.5
350.15424	0.3
484.72406	0.3
487.14276	0.7
594.18274	2.1
714.74316	0.3
730.52985	0.3
756.21320	38.1
757.21667	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	756.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
61.98823	40.8
71.01382	4.4
71.58744	0.4
72.99293	0.6
73.02943	1.8
80.96502	0.8
83.01395	0.5
85.02941	1.9
87.00860	0.9
88.98775	0.8
89.02443	1.6
89.03954	0.9
91.05536	0.9
93.03493	0.8
96.95986	2.3
99.00891	1.2
101.02445	1.9
105.01904	0.5
107.04997	1.8
111.00907	0.4
113.02422	1.4
117.03457	1.9
119.04963	0.7
121.02895	1.0
123.04495	0.5
132.02110	1.4
133.01895	0.6
133.02939	19.4
134.03743	12.2
135.04510	100.0
136.04857	5.3
137.02484	0.7
139.00334	0.6
144.86794	0.5
149.02429	0.9
161.02423	45.1
162.02736	2.9
163.03996	0.7
164.04729	0.9
175.02524	0.7
175.04007	0.7
179.03474	58.1
180.03844	2.8
183.10271	1.1
193.05013	3.8
236.94792	0.5
276.09412	0.7
315.25409	0.5
331.61475	0.5
333.65042	0.5
356.12695	0.5
368.48303	0.6
408.53821	0.5
675.57037	0.5
693.31134	84.8
694.31439	22.6
721.30554	1.0
757.32605	1.6
760.62604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96329	0.6
54.72722	0.5
59.01384	4.6
64.38854	0.6
69.03445	4.5
69.88457	0.6
69.88782	2.7
71.01384	2.4
78.43439	0.6
85.02941	1.0
87.00874	0.7
89.02448	2.1
89.03981	1.0
90.01235	0.6
93.03458	3.4
95.05010	1.4
96.95996	0.7
101.02442	1.2
106.04273	0.8
110.23113	0.5
110.56750	0.5
111.04510	2.6
113.02429	0.8
117.03452	7.1
119.03500	1.5
119.05008	3.3
121.02937	4.2
121.06579	1.8
123.04525	0.7
133.02911	0.9
134.03722	71.7
135.03975	2.8
137.02394	1.0
147.04456	0.6
147.94698	0.6
149.02425	35.4
149.06029	5.0
150.02765	1.6
152.01129	2.6
155.03526	2.8
161.02513	0.9
163.04004	4.9
164.04764	37.3
165.05225	1.9
169.05046	1.3
173.04526	7.0
178.02739	0.7
179.03560	0.6
179.05797	0.5
179.07109	14.2
180.07434	0.6
183.06519	0.7
191.05579	9.0
193.01405	6.2
193.05025	90.5
194.05391	6.0
208.01865	1.2
208.03734	19.1
209.04265	1.1
223.06075	100.0
224.06436	5.7
265.07181	1.3
297.49173	0.7
345.12006	0.9
367.10257	44.3
368.10715	5.2
385.11334	8.1
386.11493	0.8
389.11020	9.3
390.11090	1.1
461.03882	0.6
557.98883	0.7
584.15033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20813	0.5
54.39971	0.5
59.01085	0.8
59.01373	10.1
70.31413	1.0
70.31802	1.2
71.01371	7.7
72.99341	0.5
73.02917	0.9
80.67946	0.4
83.01408	0.9
85.02932	1.6
87.00854	0.8
89.01894	0.8
89.02428	7.0
93.03438	1.3
98.20396	1.0
99.00887	0.5
101.02434	5.0
113.02428	3.1
115.00398	0.5
117.03448	10.9
119.05010	100.0
120.05336	3.9
125.02411	0.5
127.03896	0.4
131.03487	1.3
133.02943	0.6
134.16406	0.6
135.04527	2.2
145.02931	58.7
146.03271	2.8
149.04527	1.7
161.02364	1.4
161.04593	1.1
161.05927	0.9
163.03984	88.1
164.04321	4.6
165.26747	0.5
175.02440	0.6
179.03484	2.0
181.12328	0.4
187.04073	2.2
191.05603	2.0
205.04990	1.4
265.07144	1.7
280.07523	0.5
281.06680	0.8
281.10248	0.5
295.70297	0.5
299.11401	2.2
310.01221	0.5
325.09232	36.0
326.09531	2.3
341.12204	1.0
342.12515	0.6
353.69446	0.6
371.09808	1.0
431.15500	30.8
432.15668	3.5
763.35468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20813	0.5
54.39971	0.5
59.01085	0.8
59.01373	10.1
70.31413	1.0
70.31802	1.2
71.01371	7.7
72.99341	0.5
73.02917	0.9
80.67946	0.4
83.01408	0.9
85.02932	1.6
87.00854	0.8
89.01894	0.8
89.02428	7.0
93.03438	1.3
98.20396	1.0
99.00887	0.5
101.02434	5.0
113.02428	3.1
115.00398	0.5
117.03448	10.9
119.05010	100.0
120.05336	3.9
125.02411	0.5
127.03896	0.4
131.03487	1.3
133.02943	0.6
134.16406	0.6
135.04527	2.2
145.02931	58.7
146.03271	2.8
149.04527	1.7
161.02364	1.4
161.04593	1.1
161.05927	0.9
163.03984	88.1
164.04321	4.6
165.26747	0.5
175.02440	0.6
179.03484	2.0
181.12328	0.4
187.04073	2.2
191.05603	2.0
205.04990	1.4
265.07144	1.7
280.07523	0.5
281.06680	0.8
281.10248	0.5
295.70297	0.5
299.11401	2.2
310.01221	0.5
325.09232	36.0
326.09531	2.3
341.12204	1.0
342.12515	0.6
353.69446	0.6
371.09808	1.0
431.15500	30.8
432.15668	3.5
763.35468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.4
59.01376	10.1
63.03256	0.4
71.01379	9.3
71.60497	0.4
71.60922	0.5
73.02926	1.1
75.00858	0.4
80.58855	0.4
83.01391	0.8
84.33552	0.4
85.02945	1.6
87.00864	1.1
89.02431	8.4
93.03457	0.8
99.00851	0.5
101.02428	5.0
113.02441	2.9
115.00338	0.9
117.03458	12.8
118.03780	0.5
119.05012	100.0
120.05370	4.4
131.03465	1.7
135.04501	1.8
137.05925	0.4
145.02937	64.9
146.03278	2.7
148.63364	0.5
149.04539	1.7
149.05940	0.4
161.02423	2.1
161.04562	0.9
161.06078	1.2
163.03989	95.3
164.04330	4.0
173.04520	0.6
179.03487	2.9
179.05359	0.5
187.03981	2.6
191.05591	1.9
203.03450	0.7
205.05019	1.1
219.12389	0.4
233.04549	0.7
235.05969	0.6
251.05516	0.6
265.07104	1.2
281.06763	1.2
281.10403	1.4
282.10342	0.7
299.11252	2.2
308.08505	0.4
325.09232	40.9
326.09534	3.4
341.12534	1.1
343.12726	0.5
371.09750	1.6
380.24649	0.5
389.10794	0.6
431.15512	31.5
432.15933	3.6
652.02289	0.5
690.50916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93328	0.2
61.98821	1.4
64.22789	0.2
70.68445	0.7
71.01358	0.3
71.99742	0.3
84.02135	0.2
85.02914	0.5
93.03439	1.0
108.02177	1.2
109.02944	0.8
112.49444	0.2
121.02946	4.2
122.03727	2.0
123.00871	0.5
123.04524	0.3
124.01635	0.6
134.03725	0.8
135.04497	0.4
136.01643	75.3
137.02240	1.9
145.06589	0.3
149.06027	0.7
151.03984	95.5
152.04333	4.0
154.02737	0.4
159.04453	0.7
160.05273	1.3
161.02368	0.6
162.03200	0.8
163.03978	1.0
173.05940	0.3
175.03975	0.5
175.07605	1.1
176.04790	0.4
177.05550	0.8
179.03497	0.5
188.04652	0.3
189.05635	0.5
190.06204	0.3
200.29114	0.3
255.23312	2.0
311.12726	0.6
342.11026	5.4
343.11279	0.6
353.70486	0.3
357.13367	100.0
358.13715	11.2
368.84949	0.3
411.16675	0.3
634.04413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90990	0.5
58.45678	0.4
59.01372	2.0
59.42949	0.4
59.44268	0.5
60.48649	0.4
61.98824	100.0
70.47341	1.3
71.01385	1.9
83.01389	0.5
85.02958	0.8
89.03898	0.5
93.03455	1.3
96.96016	0.6
97.48329	0.4
98.19880	0.5
101.02435	0.9
105.38659	0.5
107.05042	0.6
111.00919	0.7
113.02462	0.7
117.03450	1.9
119.05002	0.9
121.02940	6.5
123.04536	0.8
132.02187	2.3
133.02943	30.7
134.03795	4.4
135.04514	22.3
136.01653	1.1
136.04843	1.7
137.02434	1.6
137.03381	0.5
142.77911	0.5
147.04480	0.5
149.02454	0.9
149.06079	1.5
151.03999	1.8
153.05496	0.4
159.04488	0.6
160.01649	0.7
161.02432	78.9
162.02802	3.8
163.03986	0.8
164.04840	0.5
166.79880	0.5
175.03992	1.5
177.01944	0.6
177.05568	2.9
178.02742	0.5
179.03476	15.5
180.03851	0.6
192.06471	0.5
193.05017	4.4
197.08145	0.7
203.03445	1.1
221.04555	2.9
223.06169	0.6
263.05594	0.5
269.04477	1.0
270.04703	0.7
280.05960	0.7
323.07657	11.4
324.08044	1.0
356.12585	5.4
357.13226	2.1
371.14899	2.3
695.23279	72.2
696.23657	17.3
723.32831	0.8
757.42664	0.7
758.42615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	28.4
61.98822	32.6
67.01885	9.6
68.99806	13.4
69.03445	4.2
71.01368	8.6
71.13927	0.7
73.02924	1.1
78.91824	1.1
81.03468	1.2
83.01381	1.5
83.05016	3.2
85.02941	5.4
86.22633	0.8
88.98810	1.4
89.02438	6.5
91.05515	1.9
93.03444	27.4
95.01384	3.7
97.02949	1.0
99.04517	1.8
100.02090	0.9
101.02435	16.2
107.05023	6.4
109.02943	2.5
109.82926	0.7
111.00871	48.7
111.03786	1.5
111.04499	19.0
112.01202	1.3
112.04861	0.9
113.02448	9.5
114.05573	1.8
116.92822	1.0
117.03433	2.0
119.03494	2.6
119.05020	4.8
121.02926	4.4
123.04500	2.7
125.02466	1.5
125.06081	1.2
127.03993	15.5
132.02147	2.8
133.02939	31.5
134.03738	16.1
135.04514	25.2
137.02417	14.1
137.06056	3.0
139.00349	21.6
140.00647	1.0
143.03548	1.3
145.02913	1.0
149.02417	4.3
149.06061	3.5
151.03963	1.5
151.07625	1.3
153.05531	6.8
155.10721	1.1
160.01669	1.8
161.02420	100.0
162.02766	4.9
163.03976	13.9
164.04343	1.1
165.01913	7.2
165.05482	0.8
166.08800	0.9
167.06990	0.8
169.31012	0.8
171.02979	1.7
175.03961	4.0
177.05566	2.4
179.03484	14.6
179.05585	1.6
189.01968	1.0
193.05026	15.9
195.06573	11.1
197.08211	1.0
203.03447	5.9
207.02960	2.6
221.04489	1.8
223.06143	1.5
239.05516	2.2
273.07635	15.7
274.07974	1.6
275.05542	10.0
284.03253	1.0
285.04102	1.3
307.08176	40.4
308.08560	2.9
315.08652	13.1
316.09030	1.1
325.13910	1.8
333.09848	7.4
339.07196	1.1
341.08813	1.8
343.08020	2.7
361.09283	1.1
365.84814	0.8
375.10770	4.3
403.10403	1.5
435.12900	19.7
436.13129	2.4
519.14777	1.8
561.35046	0.9
597.18097	49.3
598.18671	9.3
696.32477	2.3
723.31952	5.4
759.21106	19.6
759.32361	1.2
759.44232	1.1
760.21356	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	759.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
57.03456	1.5
58.00595	2.9
59.01371	86.8
64.81480	1.4
66.78585	1.5
67.01880	13.3
68.99812	15.7
69.03447	7.9
69.55756	1.4
71.01374	39.2
72.99289	1.7
73.02921	9.9
79.60568	1.7
79.89977	1.8
83.01385	5.2
83.05015	2.6
85.02939	17.4
87.00883	5.6
89.02428	41.3
91.05506	2.3
93.03443	36.8
93.03998	2.6
95.01386	7.9
97.02937	2.4
99.00887	4.7
99.04494	3.7
100.11008	1.5
101.02433	48.5
107.05014	8.0
111.00871	44.5
111.04501	24.4
113.02430	23.8
117.96700	1.5
119.03501	12.3
119.04993	10.8
121.02963	6.1
123.04530	4.3
125.02441	2.9
127.03976	22.3
131.03459	4.7
133.02933	4.6
134.03697	2.7
135.04510	24.1
136.04878	1.5
137.02422	19.7
137.06059	3.1
139.00363	27.6
143.03511	5.6
145.02899	2.2
149.02455	3.3
149.04553	1.7
151.03996	4.1
151.07634	3.0
153.01909	1.6
153.05551	25.5
153.09151	2.4
155.03534	1.9
159.02977	1.8
161.02419	6.6
161.04562	7.3
163.03973	20.4
165.01830	9.1
165.05565	3.1
173.04518	12.7
177.01897	2.0
177.05580	5.9
179.03491	14.4
179.05591	45.1
179.07175	2.6
180.05914	2.0
189.01971	1.7
192.04138	2.6
193.05099	2.4
195.06607	40.9
196.06836	2.2
199.57968	1.7
207.02937	5.5
221.04535	3.1
221.06598	29.7
239.05554	9.5
271.05966	2.0
273.07629	23.4
274.07950	2.4
275.05646	15.6
281.08890	2.4
285.03998	11.5
286.08582	1.7
287.09030	2.4
291.08743	2.2
307.08185	100.0
308.08575	9.2
315.08707	35.6
316.09039	3.4
332.68808	1.6
333.09808	15.9
341.10727	3.7
343.08264	4.4
345.15390	6.1
357.09787	3.4
369.09714	1.9
375.10883	14.3
403.10220	3.9
431.15677	3.8
435.12762	18.5
436.13116	3.7
462.95456	1.9
585.29358	2.4
611.22925	1.6
623.18579	4.5
759.23126	41.2
760.24121	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	759.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.4
58.00595	2.2
59.01373	88.6
64.10152	1.9
65.03961	2.6
67.01883	14.7
68.99809	13.8
69.03448	5.0
71.01379	35.0
71.62607	1.8
73.02941	7.3
73.72570	1.4
75.00870	1.9
83.01387	2.0
83.05025	4.2
85.02947	18.2
87.00878	6.0
87.22737	1.5
89.02438	40.8
93.03446	42.2
95.01390	8.9
97.02978	2.1
99.00892	5.8
99.04546	3.6
101.02437	57.9
107.05018	5.9
109.02938	3.4
111.00874	48.4
111.04512	25.4
113.02432	23.6
117.03458	2.2
119.03501	18.3
119.04990	10.2
121.02935	5.6
123.04519	7.1
125.02419	4.5
127.04004	22.3
131.03496	5.9
133.02953	4.0
134.03735	5.2
135.04514	26.3
136.01649	2.0
137.02432	23.9
137.06039	5.4
139.00365	26.9
143.03453	5.7
147.02965	1.7
148.01471	1.9
149.02390	5.2
149.04547	2.1
150.03189	3.4
151.03941	3.2
151.07637	5.5
153.05559	30.1
153.09163	2.1
161.02406	7.4
161.04529	7.5
162.03099	2.2
163.03993	19.6
165.01907	5.2
165.05516	2.0
171.02989	2.2
173.04514	13.3
177.05568	4.8
178.02773	2.0
179.03476	14.9
179.05580	49.1
179.07161	3.7
189.01907	1.9
191.05542	2.3
193.04988	2.9
195.06607	42.5
196.06880	2.2
207.03015	5.8
221.04575	2.6
221.06610	35.4
222.06906	2.4
239.05568	6.6
271.06049	3.1
273.07678	26.6
274.07932	2.8
274.33859	1.8
275.05606	16.4
285.04166	10.6
286.08844	1.7
287.09207	3.5
307.08197	100.0
308.08472	10.1
315.08749	36.3
316.09085	4.5
317.15729	1.8
333.09717	14.5
341.10574	2.5
343.08176	6.3
345.15451	4.4
357.09763	3.3
361.09283	3.2
375.10898	10.7
393.12045	2.7
403.10065	4.1
404.10471	2.1
425.12296	2.2
431.15530	3.6
435.12909	23.2
436.13229	5.1
546.38232	1.8
585.29199	2.7
623.18353	4.8
663.62543	2.1
708.94873	2.0
759.23035	33.7
759.34442	4.2
760.23633	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	759.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49448	6.1
59.01380	18.6
61.42353	8.1
61.98819	100.0
71.01352	8.6
78.95888	41.0
86.66455	7.1
98.19777	11.8
139.39423	7.9
143.40762	8.5
152.99609	58.5
195.31464	9.1
211.13362	62.0
222.34624	7.3
236.82927	7.2
253.09319	15.0
277.21710	15.4
293.21161	44.0
361.68021	8.1
447.22064	11.4
450.33624	7.2
471.71402	7.0
590.27557	8.4
610.32922	8.1
759.40710	46.5
760.40869	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	761.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	32.7
65.03950	1.7
67.01865	5.9
68.99794	2.5
69.03450	72.6
70.03756	1.8
71.01376	8.5
73.02905	2.3
83.95200	1.3
85.02927	5.3
87.00853	3.4
89.02426	4.7
93.03449	17.8
94.92684	1.4
95.01353	5.9
95.05015	19.9
98.19853	4.6
99.04489	4.0
101.02419	8.4
106.04213	9.5
111.00807	6.2
111.04521	3.1
112.01189	1.6
113.02428	9.7
117.03405	1.8
119.03458	1.6
119.05000	3.6
121.02941	18.0
121.06587	37.0
122.03750	14.3
122.28105	1.6
123.04520	11.4
127.03927	3.1
132.02138	12.4
133.02945	20.3
134.03723	30.0
135.04434	6.6
136.01634	3.0
137.02350	6.2
139.00377	18.6
139.07625	10.6
147.04448	5.7
148.05269	1.8
149.02415	21.8
149.06076	9.1
150.03206	100.0
151.04018	8.4
153.05557	2.1
160.01645	62.4
161.02434	35.3
162.02904	2.1
164.04721	5.1
165.05550	89.9
166.05818	4.5
173.04495	11.3
175.03976	98.2
176.04729	14.8
177.01884	2.8
178.02690	9.6
179.03375	5.7
179.05637	1.8
179.07008	5.9
180.04156	6.2
181.04950	6.8
183.06520	6.1
191.03745	1.4
191.05486	7.1
191.07057	13.5
193.05048	32.4
195.06604	21.4
196.33546	1.6
207.06534	1.5
209.04536	15.4
220.03590	3.3
223.56126	1.5
235.06046	25.6
236.06314	2.9
265.07065	4.7
295.08167	8.1
323.07797	2.3
337.09009	3.4
341.10172	2.1
345.11584	4.8
371.10983	2.5
383.11127	4.5
389.12070	6.1
431.13293	5.7
491.15021	2.5
507.94067	1.7
520.15723	8.5
521.16534	69.5
522.16791	11.1
535.17511	2.0
552.52728	1.5
564.14233	4.2
565.15289	4.3
575.17670	2.9
587.22815	2.9
669.21381	3.4
699.21820	3.1
717.23572	17.7
718.23407	5.3
725.22583	2.4
761.22406	81.3
762.22852	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	761.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90476	0.3
59.01376	1.2
61.98826	3.2
68.08028	0.2
70.88988	0.5
71.01396	0.8
82.95412	1.5
87.00874	0.4
87.88013	0.3
88.98790	0.4
89.02434	0.4
93.03451	0.5
95.04980	0.3
96.96004	1.8
99.04590	0.2
101.02443	0.7
113.02426	0.4
119.04984	0.3
124.00403	0.3
125.09687	0.3
131.71980	0.3
134.03725	1.2
135.04503	0.7
135.08104	0.4
137.02446	0.6
149.02364	0.4
150.03174	0.4
153.09195	73.5
154.09526	3.1
155.08272	0.8
160.01616	0.3
161.02463	0.8
163.03993	0.4
164.04753	0.4
165.05516	0.4
174.03210	0.3
175.03970	0.4
179.03506	0.7
193.05042	1.2
194.05565	0.4
195.06615	0.5
197.08167	100.0
198.08508	5.5
205.05061	0.3
223.06119	0.5
266.03098	0.3
268.03778	0.4
269.04517	7.1
270.04880	0.7
276.76694	0.3
285.04004	0.5
297.07971	0.5
324.06393	0.4
329.13766	0.7
337.07175	0.6
338.07922	0.4
339.08588	0.3
340.09302	0.3
353.06549	0.4
353.10471	0.4
357.13504	0.3
368.09192	0.3
369.13483	0.3
371.11063	0.5
379.08020	0.4
383.11234	1.8
394.10663	0.5
401.12247	0.4
413.12320	0.4
425.12134	0.8
443.13437	0.3
451.13788	0.3
473.14780	0.6
485.14346	0.6
503.15350	0.7
563.17676	1.2
629.15527	0.3
761.25989	3.6
762.28046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87212	0.2
59.01390	0.5
59.98514	0.3
69.03440	0.4
69.45351	1.1
69.45773	1.2
69.79479	0.2
71.01373	0.5
73.02953	0.7
83.05025	1.2
85.02953	0.3
87.76327	0.3
93.03458	2.1
111.04495	2.2
121.10220	0.4
127.03889	0.3
134.03716	0.7
147.08208	0.3
153.09216	2.4
155.03464	2.1
165.09178	5.4
166.09624	0.4
168.40120	0.3
168.63986	0.3
173.04510	4.2
174.04906	0.3
183.10239	100.0
184.10597	5.2
193.05022	1.0
194.05409	0.2
221.53995	0.3
267.97421	0.3
269.08218	0.4
357.15494	36.4
358.15820	4.0
390.11081	0.3
417.81677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	3.8
58.78410	1.7
59.01375	80.6
60.48757	1.6
70.92729	3.3
71.01378	57.9
72.43491	2.0
72.99287	5.6
73.02933	2.5
81.03436	2.0
83.01373	3.8
83.05016	5.4
85.02936	11.9
87.00891	2.2
89.02435	49.6
95.01374	5.4
101.02433	27.3
105.88725	1.8
113.01664	2.7
113.02441	27.7
119.03493	21.2
120.05824	2.5
123.04470	1.9
123.08143	2.7
131.03377	2.0
133.02902	4.8
135.33513	1.8
141.12834	1.9
143.03442	2.8
159.11781	2.6
161.02402	5.9
161.04517	6.5
161.13338	12.7
163.48503	2.0
179.03447	1.9
179.05569	10.9
185.13303	2.5
187.11241	19.2
187.13203	3.3
205.12311	100.0
206.12621	5.6
219.13896	3.3
219.66658	2.0
229.12308	24.6
230.12578	3.3
247.13304	5.0
249.11285	99.4
250.11610	6.5
259.13348	3.5
291.12445	9.0
349.18631	69.9
350.18921	6.2
411.16537	53.1
412.16733	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	761.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
58.00178	0.8
59.01369	7.2
61.98827	7.1
64.08049	0.7
64.42820	0.7
67.37075	0.7
69.03433	2.4
70.74547	0.7
71.01374	23.1
71.53383	1.1
72.01698	0.9
72.99300	1.2
73.02935	2.3
83.01369	1.6
85.02935	10.3
85.30531	0.8
87.00851	1.4
89.02409	3.7
95.01376	3.2
97.02927	2.6
99.00866	1.4
101.02428	3.0
113.01679	1.6
113.02432	21.3
116.45560	0.8
121.74079	0.8
123.04506	5.4
125.02393	3.0
135.04509	48.6
136.04811	1.9
153.05566	5.1
161.04507	0.9
177.05589	1.2
180.38611	0.7
185.67348	0.7
281.24799	28.3
282.25104	3.5
295.26376	1.7
297.09689	2.7
315.10892	3.9
329.13962	1.6
377.27017	1.5
461.16666	7.7
725.41034	100.0
726.28754	1.5
726.41455	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	761.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	5.9
61.98823	14.0
67.01883	14.5
67.40893	1.2
68.99806	38.5
69.03451	13.3
69.52075	6.9
69.52484	2.5
71.01363	4.4
71.34974	1.1
76.05999	1.3
83.01376	1.3
85.02959	2.6
93.03433	2.0
95.01362	3.2
95.05006	9.2
98.19887	2.9
99.00869	1.2
99.04513	1.5
101.02432	71.2
102.02768	1.8
111.00871	27.5
113.02445	1.9
116.92835	1.5
119.04974	1.3
121.02944	4.4
125.02450	5.9
127.03992	29.5
137.06050	6.7
139.00340	15.3
139.04002	9.9
143.03479	3.9
143.88214	1.2
149.02440	2.5
153.01927	5.6
165.05556	1.4
171.01813	1.0
171.03023	9.8
193.00500	1.3
223.06046	5.7
255.23302	11.9
256.23599	1.7
259.09692	37.7
260.10049	2.7
269.24835	6.7
291.08701	100.0
292.09155	8.2
297.24371	2.1
361.12860	36.6
362.13184	3.6
385.11530	2.6
505.17035	6.5
523.18152	1.7
687.43701	2.0
699.06097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.4
61.98831	5.6
71.05003	4.0
71.42188	3.2
96.48252	2.3
96.95994	11.4
121.02850	2.5
128.90205	3.0
141.36636	2.9
143.71858	2.1
162.34770	2.3
177.90915	2.5
195.13905	7.8
223.13319	5.9
275.19897	5.8
293.21204	100.0
294.21490	11.8
322.56427	3.1
396.34171	3.0
423.32724	5.6
425.34137	23.2
426.34479	2.8
439.32135	12.1
457.33112	47.3
458.33487	6.9
469.33194	69.0
470.33405	9.6
722.13892	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	763.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
58.70717	0.4
59.01347	0.6
60.90347	0.5
61.98830	4.7
69.81020	2.1
73.38802	0.4
78.95871	0.7
91.29226	0.5
96.26897	0.5
96.95969	1.0
97.06561	1.0
111.08145	0.6
121.10221	3.6
125.09686	1.8
141.12869	0.5
185.11821	5.6
192.51001	0.5
197.11755	1.1
209.11761	0.5
211.07097	0.5
211.13306	0.8
223.13321	0.7
237.24455	0.4
247.20389	0.6
267.11935	0.5
291.19620	73.3
292.19925	6.7
382.41357	0.5
393.31732	0.6
412.24573	0.5
453.33624	1.7
471.34729	100.0
472.28122	0.7
472.35062	14.8
512.43524	0.5
543.32074	0.6
719.47919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.58055	0.2
59.01374	1.1
61.79839	0.3
61.98824	2.0
67.36624	0.2
68.99825	0.3
69.03435	0.8
71.01385	1.2
71.83582	0.3
75.00871	1.1
82.30741	0.3
85.02943	0.7
86.33791	0.2
87.00873	0.6
89.02444	0.3
93.03490	0.4
93.76244	0.3
95.01408	0.5
96.95996	5.2
97.02937	1.4
98.95586	1.8
101.02409	0.4
113.02428	0.6
113.87145	0.3
116.74528	0.3
121.02938	1.2
122.03716	1.1
123.00948	0.3
123.04482	0.3
123.08250	0.3
125.09742	1.3
131.03477	0.3
133.02957	0.9
134.03717	5.0
135.04533	1.4
135.08115	0.4
137.02376	0.3
141.01912	1.1
141.09193	2.0
147.04507	0.5
149.02405	2.5
149.06064	1.1
150.03203	5.9
151.03802	0.5
153.09192	79.9
154.09511	4.6
160.01616	1.0
161.02438	1.2
164.04774	0.6
165.05550	6.8
167.01746	0.6
167.03342	0.2
167.07022	0.4
169.08623	0.5
171.10269	1.7
173.04411	0.3
175.02563	0.5
175.03908	1.5
176.04712	0.8
178.02740	1.8
179.03348	0.6
179.07256	0.3
180.04213	0.7
185.08128	1.0
191.05600	0.3
191.07132	0.7
193.05020	7.6
194.05338	0.9
195.06607	4.5
197.08160	100.0
198.08484	5.7
215.09207	16.7
216.09477	1.0
231.40102	0.3
235.05988	0.9
250.06271	0.4
282.08853	1.1
307.08255	2.1
335.07889	0.3
341.10257	4.6
341.77502	0.3
342.10623	0.6
345.15421	0.8
375.78717	0.3
383.11319	0.3
389.12363	8.7
390.12643	1.0
401.14404	0.4
435.13797	0.3
455.13486	0.6
503.15521	0.7
504.15817	0.4
531.15039	0.7
562.71527	0.3
603.22699	0.3
658.15051	0.3
729.23755	0.5
747.24902	1.9
748.25507	0.4
765.30682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37530	0.3
59.01371	1.2
61.98810	2.0
65.16328	0.3
68.99826	0.4
69.03459	1.0
71.01383	0.7
71.62800	0.6
72.99294	0.5
72.99722	0.3
75.00869	0.8
85.02942	0.7
87.00880	1.0
93.03427	0.5
95.01362	0.4
96.96008	4.6
97.02953	1.1
98.95599	2.4
98.96435	0.4
113.02435	0.6
121.02956	1.7
122.03783	0.6
125.02406	0.4
125.09698	1.2
133.02982	0.6
134.03714	4.7
135.04507	1.2
135.08147	0.7
137.02412	0.8
139.04051	0.3
141.01923	1.1
141.09215	1.4
147.04568	0.4
149.02423	2.5
149.06082	1.0
150.03204	6.1
151.03928	0.3
153.09190	76.5
154.09525	3.8
160.01591	0.6
161.02376	1.1
163.03996	0.4
164.04764	0.7
165.05536	7.1
166.05896	0.4
171.10251	1.1
175.03993	1.7
176.04715	1.0
178.02687	1.5
179.03474	0.9
180.04259	0.6
185.08138	0.8
191.07167	0.8
193.05023	8.2
194.05531	0.4
195.06604	5.0
197.08156	100.0
198.08492	5.5
215.09198	15.1
216.09555	1.0
235.06000	1.0
250.06282	0.4
282.08920	0.8
307.08212	2.1
329.14163	0.3
341.10223	4.7
389.12399	7.6
390.12711	1.1
455.13474	0.7
503.15579	0.7
520.45050	0.4
531.14868	1.3
569.20245	0.4
729.23322	0.8
730.24249	0.6
747.24896	1.9
765.31830	0.5
766.26453	0.4
786.45020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.9
60.99289	0.6
61.98827	8.3
70.90311	0.6
71.01377	2.2
71.62621	0.6
79.95708	0.6
82.95392	0.9
85.02924	0.5
89.02432	1.9
89.03976	0.8
93.03442	2.1
95.05048	0.6
96.96000	11.4
98.95598	1.7
98.96451	0.5
99.00844	0.6
101.02425	1.8
109.02939	0.8
111.00829	1.2
113.02390	0.9
116.07128	0.5
117.03432	2.8
119.05029	1.4
121.02936	9.2
122.03750	6.3
124.01626	0.7
132.02139	3.3
133.02965	2.5
134.03723	73.7
135.04391	3.2
136.01651	1.5
137.02441	5.8
139.03996	1.5
141.01933	0.9
147.04526	1.6
149.02422	15.2
149.06056	13.5
150.03206	38.5
150.06375	1.1
151.03801	2.1
153.01912	0.5
153.09190	9.6
160.01628	10.3
161.02289	1.8
163.03896	0.6
164.04768	3.3
165.05545	36.5
166.05884	1.7
175.00339	0.5
175.03970	14.0
176.04378	0.8
178.02679	16.0
179.03362	1.6
180.04190	2.7
181.04967	0.8
190.02625	0.9
193.05028	100.0
194.05368	6.3
195.06599	16.3
196.06995	0.9
197.08168	9.7
205.05017	0.9
207.06709	0.6
215.09253	2.8
221.06149	1.2
233.06015	0.9
234.06888	1.2
235.07578	0.6
239.07095	2.0
250.06252	2.9
253.08688	0.9
254.09290	0.7
267.06595	2.0
282.08929	7.3
285.04041	1.6
297.07562	0.6
307.08176	0.7
341.10242	26.6
342.10684	2.9
371.11261	11.2
372.11752	1.2
386.98129	0.5
389.12369	31.1
390.12640	3.2
396.68765	0.6
548.78198	0.6
565.25659	0.6
569.22284	29.7
570.22900	5.4
639.88922	0.6
663.27869	0.7
729.27325	1.2
761.27502	0.7
765.29474	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59879	0.3
59.01371	0.9
61.98818	1.6
68.99805	2.0
69.03445	1.9
69.93485	0.9
71.01366	0.4
71.05018	0.4
79.95723	7.1
80.96498	0.3
89.02459	0.2
93.03439	0.3
95.01376	1.1
95.05030	0.5
95.95244	0.5
96.95995	100.0
97.95931	0.6
98.20568	0.3
99.08152	0.6
101.02433	1.3
110.97558	4.0
111.00867	1.4
111.08126	0.4
116.92843	0.3
119.04980	0.7
121.02941	4.1
123.04513	0.9
127.03991	0.3
129.09209	1.5
134.98009	0.2
138.47514	0.2
138.97040	0.9
139.00356	2.8
147.04512	1.0
149.02420	10.6
150.02730	0.4
151.29257	0.2
153.01848	0.4
161.02492	0.4
165.05478	0.3
191.03494	0.6
203.05081	0.2
259.01178	1.9
361.20422	1.2
377.26901	3.0
378.27188	0.3
379.21512	1.2
380.22214	0.2
395.34314	0.2
403.28445	0.4
421.25626	0.8
421.29950	0.7
447.30984	0.7
453.28464	1.2
473.28989	0.9
491.30032	0.8
527.26654	2.7
528.27112	0.5
571.25610	3.8
572.26227	0.6
587.28802	0.5
603.28314	2.0
604.28491	0.4
765.33563	47.5
766.33832	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	765.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15030	0.2
59.01367	0.6
60.99302	16.8
61.98820	2.8
71.01366	0.5
71.50468	0.2
71.50800	0.3
78.95879	0.3
84.48841	0.2
87.00853	2.2
88.00399	2.5
88.98799	100.0
89.02433	22.7
89.99132	1.1
101.02442	0.4
113.02450	0.2
191.04440	0.2
204.06656	0.2
235.07875	0.2
243.34399	0.2
277.21719	0.7
397.13434	1.9
415.14767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
60.99300	16.5
61.98816	0.7
71.01373	1.5
71.62022	0.6
81.63602	0.3
87.00873	1.9
88.00401	3.6
88.98795	100.0
89.02431	20.4
89.03259	0.4
89.99148	1.4
96.96002	0.7
98.36333	0.4
99.24919	0.3
101.02446	0.4
101.46159	0.3
106.63103	0.3
113.02438	0.5
142.59276	0.3
147.44325	0.3
277.21613	0.7
381.99493	0.4
397.13467	1.6
415.14212	0.6
463.37299	0.3
472.00354	0.3
569.92310	0.4
575.04663	0.4
765.47528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.442
Annotation	Eryloside F3
Peak:m/z	Relative Intensity
55.01873	0.3
58.00588	0.3
59.01372	5.0
61.98824	0.9
71.01370	5.2
72.99294	0.4
73.02930	0.6
83.01376	0.9
85.02937	1.5
87.00855	0.3
89.02435	3.0
95.01376	0.1
96.95979	0.4
97.10912	0.1
99.00849	0.4
101.02430	11.3
101.95118	0.1
102.02774	0.1
111.00799	0.1
113.02434	1.5
116.92804	0.1
119.03477	1.9
131.03493	2.2
134.03674	0.4
135.04459	0.1
138.20615	0.1
143.03445	0.2
149.04543	0.7
161.04533	0.4
162.92627	0.1
191.05600	1.4
193.05017	0.4
210.80566	0.1
218.34264	0.1
233.06680	0.3
281.22662	0.1
293.08685	0.3
393.31317	0.2
407.49887	0.1
471.34692	100.0
472.35040	16.8
481.33148	0.1
485.36267	5.0
486.36652	0.9
513.35779	6.8
514.36066	1.5
543.37286	0.5
543.44342	0.1
557.34882	0.4
573.37701	0.2
603.38940	0.6
645.40015	0.9
646.39886	0.2
687.40985	0.9
688.41632	0.2
765.44409	2.0
766.32013	0.2
766.44696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4416
Annotation	Eryloside F3
Peak:m/z	Relative Intensity
55.01860	0.6
58.00572	0.4
59.01371	7.3
59.23575	0.1
61.98819	0.4
64.92342	0.1
67.95111	0.1
69.04568	0.1
71.01376	5.6
71.05015	0.3
72.99289	0.5
73.02937	0.7
75.75452	0.1
83.01363	1.1
85.02941	1.4
86.00043	0.1
87.00853	0.4
89.02434	4.0
90.61204	0.1
96.95989	0.3
99.00862	0.2
101.02433	15.0
102.02718	0.3
112.01254	0.1
113.02431	1.5
119.03487	2.3
131.03493	2.4
143.03423	0.2
144.15120	0.1
149.04546	0.8
161.04498	0.3
191.05582	1.4
233.06586	0.5
254.81491	0.1
293.08521	0.2
393.31650	0.3
407.33179	0.2
411.32458	0.5
423.32892	0.4
427.36188	0.2
441.33856	0.2
453.33615	2.2
454.34222	0.3
467.34732	0.2
471.34702	100.0
472.35056	17.2
485.36316	6.2
486.36746	1.1
507.53922	0.1
513.35773	6.7
514.36108	1.1
543.36707	0.6
544.36938	0.1
561.37817	0.2
603.38867	0.7
635.07520	0.1
645.40271	1.0
646.40491	0.2
687.40973	1.3
688.41803	0.3
765.44312	1.4
766.43994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4416
Annotation	Eryloside F3
Peak:m/z	Relative Intensity
55.01875	0.6
58.00591	0.4
59.01372	7.9
61.84748	0.1
61.91381	0.1
61.98813	0.5
65.28903	0.1
68.99789	0.1
70.46918	0.4
71.01373	6.7
72.99302	0.5
73.02940	1.1
83.01369	1.7
85.02945	1.5
85.95929	0.1
87.00861	0.6
89.02431	4.7
99.00858	0.4
101.02429	17.5
102.02772	0.3
113.02431	1.7
119.03489	2.5
131.03479	2.4
134.03749	0.2
143.03491	0.2
149.04555	0.9
161.04546	0.4
179.03490	0.2
191.05565	1.8
233.06650	0.4
234.07156	0.1
293.08844	0.2
356.54636	0.1
393.31458	0.9
394.31924	0.2
405.31537	0.2
425.30560	0.2
437.55682	0.1
471.34695	100.0
472.35037	17.3
475.15213	0.2
481.33148	0.1
485.36279	5.8
486.36612	1.0
513.35815	5.8
514.36053	1.2
543.36975	0.7
544.36884	0.2
557.34784	0.3
573.38080	0.2
603.39020	0.6
645.39667	0.8
646.40540	0.2
687.41010	1.2
688.41718	0.3
765.44708	0.6
766.45087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.03437	2.4
58.00579	1.6
59.01373	18.5
61.98810	1.1
63.31956	0.5
67.01856	0.7
69.03452	0.8
69.48701	4.5
71.01374	39.1
72.99297	1.7
73.02943	11.3
77.67188	0.6
83.01376	6.0
85.02937	20.5
87.00868	1.3
89.02428	6.5
95.01355	3.7
96.95997	6.3
97.02942	1.9
98.20644	1.0
99.00878	4.4
101.02427	26.0
111.00868	0.9
113.02435	15.9
119.03481	2.3
125.02421	2.1
130.49010	0.5
131.03427	0.7
136.19469	0.6
143.03445	1.4
150.00192	0.5
159.03032	2.7
161.04546	9.0
168.12506	0.5
179.05656	0.6
259.75754	0.6
394.23517	0.7
485.33188	0.7
543.37756	0.7
603.42810	5.8
604.43079	1.1
765.47791	100.0
766.48096	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	765.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32835	0.4
59.01360	1.2
60.99286	1.4
61.98824	2.3
65.68401	0.4
68.33191	0.4
77.71277	0.4
77.84627	0.5
78.95883	0.6
82.34586	0.4
97.06595	0.8
102.11059	0.4
114.93394	0.8
121.10216	0.4
155.86674	0.5
171.10252	1.9
275.20050	2.5
293.21173	4.4
374.16602	0.5
391.30167	1.2
405.31787	1.0
407.33167	2.7
408.33533	0.7
425.34238	0.8
441.33768	1.4
451.32159	1.9
453.33688	11.7
454.34036	2.1
471.34720	100.0
472.35092	16.4
472.41949	0.6
795.08594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77817	0.3
57.03441	1.6
58.25802	0.3
59.01365	0.7
60.70187	0.3
61.98819	1.0
65.38278	0.3
69.29305	2.0
69.29709	0.6
72.69138	0.3
74.04852	0.3
84.95124	0.3
97.06541	0.3
98.19819	0.6
104.15000	0.3
109.06573	0.3
113.09705	8.8
115.49690	0.3
135.11768	0.4
139.11253	0.8
167.10760	1.5
177.12738	0.4
179.10742	1.3
195.13901	1.3
197.97311	0.3
236.02171	0.3
246.96985	0.3
249.22224	1.3
293.21188	83.7
294.21509	9.3
356.77744	0.3
463.42862	0.3
471.34708	100.0
472.35046	17.4
644.60516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03437	1.0
57.25079	0.3
58.00594	0.6
59.01375	11.3
63.35253	0.3
67.01903	0.3
71.01375	9.8
71.05005	0.6
71.17947	0.4
71.18298	0.7
72.99284	0.5
73.02946	2.6
75.00851	0.3
83.01372	2.0
85.02943	4.4
87.00861	1.0
89.02435	3.3
93.03438	1.0
95.01372	1.0
96.96009	0.4
99.00887	1.1
99.08133	0.5
101.02431	7.7
102.02707	0.3
102.04456	0.3
111.00873	0.5
113.02435	3.9
119.03455	1.1
133.02957	0.4
134.03687	0.4
134.87630	0.3
135.04518	0.5
137.06081	2.4
157.12300	0.6
159.03018	0.4
161.02422	1.2
161.04547	0.4
167.10759	0.6
173.04529	0.9
179.03442	0.4
185.11842	3.2
191.05627	2.8
193.43280	0.3
197.08086	0.4
201.11279	0.5
203.12848	5.2
204.13132	0.5
221.74539	0.4
228.85951	0.3
329.16177	0.6
347.17044	18.3
348.17413	1.6
363.16556	3.6
364.17041	0.4
365.18097	100.0
366.18448	9.8
367.10437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36155	0.6
55.77421	0.7
56.18951	0.6
59.01372	13.3
61.98816	2.6
62.05812	0.8
64.68689	0.7
71.01367	2.1
83.02931	0.8
89.02425	1.9
92.74423	0.8
98.20674	1.2
101.02409	1.5
113.42682	0.6
119.03476	0.9
124.63935	0.9
150.18771	0.7
159.44456	0.7
161.04401	1.1
164.44315	0.7
179.05431	0.8
183.13904	5.6
193.12241	1.4
211.13359	100.0
212.13669	6.4
229.82893	0.7
235.08093	2.6
253.09270	4.9
277.21677	65.3
278.22031	5.2
306.19186	0.7
365.31146	0.8
429.21204	1.2
447.22220	7.8
448.22934	1.0
519.66180	0.9
707.42950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
61.98819	2.7
66.48415	0.8
70.18864	3.1
71.01380	2.9
74.51999	0.8
78.95897	1.8
85.02946	1.5
89.02404	1.9
96.14818	0.7
100.89632	0.7
101.02432	1.3
109.67014	0.7
116.40326	0.9
126.86012	0.8
130.01285	0.8
159.40445	0.8
161.04613	0.9
166.06453	0.8
211.13336	1.0
253.17049	0.9
277.21667	100.0
278.22061	10.9
447.22339	4.2
489.33984	1.5
729.44025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97367	0.3
59.01379	0.4
70.36706	0.9
77.59985	0.3
86.99904	0.3
94.77662	0.3
98.19962	0.4
114.24816	0.3
125.09660	0.4
141.12906	0.3
148.41360	0.4
171.10248	7.9
172.10587	0.5
196.70056	0.3
259.20773	0.4
263.50388	0.4
277.21677	12.4
277.24731	0.6
278.22043	1.2
295.22739	54.6
296.23056	4.7
314.38501	0.4
423.32507	0.4
471.34723	100.0
472.35086	16.0
656.29712	0.4
727.00458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
57.99369	0.3
59.01370	3.5
63.03478	0.3
68.19332	0.3
71.01371	3.5
71.42812	0.4
75.24651	0.3
77.04005	0.4
85.02942	3.2
89.02429	1.6
89.03956	0.3
95.01378	1.0
95.01974	0.3
95.05032	0.4
101.02432	0.7
105.03457	1.2
112.55337	0.3
113.02438	4.9
115.01881	0.4
117.03468	2.3
119.04996	0.4
123.04485	0.3
125.74068	0.3
127.19805	0.2
132.02164	3.1
133.02939	40.6
134.03331	1.3
135.04510	6.0
136.04860	0.3
145.02937	3.2
161.02428	100.0
162.02783	4.6
163.03918	0.3
163.80164	0.3
179.03474	1.7
185.35754	0.3
193.04944	0.3
461.16559	0.6
606.21814	2.7
607.20758	1.0
623.19507	0.8
768.24957	23.3
769.24274	11.5
769.50476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
60.99303	0.2
61.98822	100.0
71.01368	0.4
71.52493	0.2
73.02960	0.2
85.69425	0.1
88.98794	0.9
89.02444	0.2
96.96013	1.3
98.20583	0.3
101.02492	0.2
113.02386	0.2
116.92882	0.2
117.03461	0.2
117.05588	0.1
121.02909	0.2
133.02948	0.3
134.03732	2.4
135.04515	0.4
149.02429	0.4
149.06133	0.2
150.03185	0.3
155.08156	0.2
160.01683	0.4
161.02466	0.5
165.05565	0.2
175.04008	0.4
193.05023	3.2
194.05428	0.4
223.06125	0.2
241.40709	0.2
473.36005	0.9
474.36835	0.7
516.38507	0.2
573.27240	0.6
705.30975	1.1
706.31561	0.3
732.34448	0.2
768.33588	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
61.98821	100.0
68.99543	0.4
71.01389	0.8
71.16730	0.6
71.82547	0.3
73.02930	0.3
88.98819	1.0
89.02427	0.5
96.95995	2.8
112.98549	0.5
116.92901	0.7
121.02940	0.8
133.02994	0.3
134.03716	2.9
135.04510	0.8
139.48827	0.3
145.02902	0.3
149.06110	0.6
150.03258	0.7
160.01709	0.8
161.02448	0.7
165.05589	0.6
170.94653	0.3
175.03992	1.0
179.03461	0.6
193.05051	3.1
195.06660	0.6
223.06038	0.4
371.14780	0.4
372.15289	0.5
473.36182	0.7
474.37097	0.5
527.56812	0.3
573.27191	1.3
705.31293	1.0
767.45319	0.3
769.42847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	1.3
59.01363	0.9
79.45448	0.6
81.03432	1.2
85.02955	0.7
95.05025	1.7
96.08177	0.8
114.09232	8.1
116.07162	100.0
117.07510	2.5
123.04528	0.9
133.02979	1.2
135.08150	1.6
140.07166	2.6
158.08241	4.5
161.02412	1.9
161.98424	0.6
170.16545	0.5
177.09190	1.4
179.07254	0.7
181.08769	1.0
232.17050	1.6
240.12535	0.7
276.16107	1.7
294.17053	8.0
295.17175	0.6
320.14963	3.1
334.64011	0.5
338.16025	85.4
339.16327	9.3
379.08542	0.7
604.41113	0.6
624.19629	1.2
676.79718	0.7
703.87933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24324	0.4
58.02974	1.3
59.01374	1.4
60.91841	0.5
62.54806	0.5
81.03454	0.9
92.57487	0.5
95.05020	1.3
96.08158	0.8
97.35020	0.5
104.05170	0.5
107.72507	0.5
109.06596	1.0
114.09225	7.7
116.07163	100.0
117.07513	2.7
123.04499	0.8
133.02965	1.1
135.04544	0.6
135.08128	2.1
138.05545	0.5
140.07175	2.5
158.08188	4.7
161.02420	2.2
162.02734	0.9
176.58228	0.6
177.09183	1.4
179.07033	0.7
221.08124	0.6
223.76219	0.5
232.17029	1.6
276.16010	2.9
294.17059	8.3
320.15094	2.7
338.16040	88.5
339.16364	8.6
368.46521	0.5
392.32834	0.5
407.25858	0.5
624.19690	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	768.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39731	0.2
58.00633	0.2
59.04801	0.2
61.98824	100.0
69.48242	1.3
77.10246	0.2
87.64833	0.2
96.96002	1.3
143.45143	0.2
162.83907	0.2
291.16586	0.2
733.23126	0.2
793.03625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.2
59.01369	2.5
69.03429	0.2
69.54780	0.7
69.55201	0.7
70.21892	0.2
71.01379	3.3
77.03965	0.4
85.02938	3.3
87.00878	0.6
89.02426	1.6
89.03969	0.4
93.03442	0.3
95.01373	1.3
95.05017	0.3
96.96056	0.2
98.19845	0.3
101.02421	0.7
103.73749	0.2
105.03459	0.9
113.02439	7.4
113.09063	0.2
115.02014	0.2
117.02616	0.3
117.03449	6.9
119.03556	0.4
119.05013	10.2
120.05325	0.4
123.04527	1.0
132.02141	2.7
133.02942	43.1
134.03244	2.1
135.04510	12.4
136.04839	0.5
143.03505	0.4
145.02933	20.2
146.03273	0.8
153.05505	1.2
161.02423	100.0
162.02765	4.8
163.03975	6.0
163.61388	0.2
164.04337	0.3
179.03481	2.8
196.07602	0.2
237.21678	0.2
297.09552	0.2
315.10892	0.9
443.15677	0.4
461.16656	4.9
462.16718	0.5
605.18646	1.0
607.20251	7.8
608.20599	1.2
623.19757	5.9
624.20074	0.8
769.23370	42.2
770.23706	10.3
770.37946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.3
59.01366	2.2
60.99295	1.2
66.32871	0.4
67.01882	7.0
69.03450	1.9
70.21844	1.6
71.01375	3.5
77.23422	0.3
81.03433	1.7
83.05022	1.2
85.02931	4.9
87.00859	5.6
89.03960	0.7
93.03443	46.1
94.03780	1.7
96.96005	1.2
98.19874	0.6
99.00883	0.7
99.04490	0.7
105.80783	0.4
109.02923	1.2
111.00832	0.8
111.04510	6.3
113.02449	0.7
117.03466	1.1
123.06308	0.5
127.04006	1.5
129.01935	0.7
134.03719	25.1
135.04079	0.4
137.02425	3.4
149.06058	2.0
155.03462	3.3
173.04518	97.8
174.04860	3.6
175.03995	0.5
178.02731	0.5
191.05580	100.0
192.05917	4.0
193.05023	16.1
194.05421	0.9
226.48701	0.4
367.10254	66.9
368.10623	6.2
629.78333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
58.00599	0.8
59.01366	12.6
59.89093	0.8
60.99302	2.8
64.75790	0.7
68.99780	0.7
69.03427	0.9
69.40894	5.5
71.01371	11.3
72.99296	4.5
73.02959	1.4
76.81506	0.8
80.46459	0.7
83.01362	1.1
85.02934	4.9
87.00871	1.9
88.98797	14.8
89.02435	10.1
89.03968	1.8
89.99158	1.3
93.03455	1.3
95.01376	0.8
96.96021	2.9
97.02935	1.9
99.00883	2.6
101.02409	7.3
111.00886	0.9
111.04537	0.8
113.02448	6.5
117.03442	7.0
119.03493	2.2
119.05005	4.1
125.02448	5.9
131.03481	1.2
132.02135	6.3
133.02979	1.7
134.03722	100.0
135.04556	4.0
137.02432	3.2
137.06091	2.0
139.04013	1.5
143.03448	0.9
149.04761	1.3
149.06038	11.2
150.03203	0.9
160.01637	26.2
161.02383	4.9
161.04488	0.9
163.91173	0.9
165.05551	1.5
175.03969	30.4
176.04289	1.8
178.02673	11.4
179.03435	3.4
179.05533	0.9
190.14087	0.8
191.05560	1.9
193.05023	87.5
194.05319	4.4
233.06667	0.8
254.61339	0.8
275.08313	0.7
350.35388	0.8
377.12482	1.2
402.49106	0.8
413.14453	6.6
425.30627	1.0
461.16675	1.2
575.19666	19.2
576.20087	2.2
593.20880	4.7
679.25800	3.0
692.02136	0.9
769.25336	40.6
770.25641	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	770.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	100.0
62.98515	0.2
87.73154	0.1
98.19923	0.4
112.26170	0.1
121.77074	0.1
139.31470	0.1
142.48656	0.1
214.92630	0.1
265.90509	0.1
272.96478	0.1
277.21808	0.3
278.22043	0.2
346.41266	0.1
442.29242	0.1
443.08252	0.1
542.92572	0.1
614.94403	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	770.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
71.24593	0.3
81.84434	0.3
88.08014	0.3
100.39777	0.3
100.70367	0.3
121.21175	0.3
205.02428	0.3
211.13289	0.3
277.21600	0.4
278.22110	0.7
328.89291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.5
57.03436	1.6
58.00597	2.8
59.01374	92.5
67.01888	2.2
68.99812	22.6
69.03447	23.2
70.56429	1.2
71.01376	60.5
72.99294	1.9
73.02939	28.7
76.40102	1.2
81.27773	1.3
83.01378	8.9
85.02945	13.6
87.00845	2.9
89.02433	30.1
91.05524	2.1
93.03458	4.4
95.01385	4.5
96.95951	1.4
98.04114	1.3
98.19844	3.3
99.00851	7.6
101.02431	58.4
104.54563	1.2
105.03493	1.6
113.02438	30.4
119.03564	12.5
119.05016	46.1
121.02942	27.1
123.04519	7.2
127.04003	3.5
131.03488	1.6
133.02962	5.4
135.04501	8.2
137.06055	3.1
143.03484	3.8
145.02930	2.6
147.04486	3.2
149.02425	5.0
149.04512	3.9
153.05563	12.3
161.02425	9.3
161.04565	9.7
161.05824	2.0
163.04022	4.3
173.04573	2.1
177.05571	1.7
179.03456	4.9
179.05545	4.3
179.07135	4.1
181.01392	1.5
181.05046	3.8
191.03458	3.2
203.10684	1.6
205.01309	1.6
205.05045	4.4
209.39812	1.5
209.78468	1.3
223.06087	100.0
224.06433	4.7
233.02167	1.3
247.09674	6.0
252.21393	1.5
281.10269	46.0
282.10577	5.0
299.11325	42.1
300.11578	3.7
315.07294	1.3
341.12344	45.9
342.12650	3.8
361.09201	6.0
453.13919	1.6
463.16486	2.3
495.15067	2.7
523.18237	2.5
772.22058	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	771.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.8
67.01884	0.8
67.80156	0.3
69.39131	1.5
69.39553	0.7
71.01388	2.0
71.21947	0.3
73.02931	0.4
81.03439	0.3
83.05069	0.3
85.02938	6.3
87.00858	1.7
89.02410	1.6
93.03442	5.1
95.01371	0.3
96.95985	0.9
99.04554	0.4
101.02425	0.8
103.98921	0.3
109.02930	0.7
111.04516	1.5
113.02407	1.0
116.72753	0.3
119.03479	0.6
127.04000	2.2
131.07097	0.7
133.02948	0.8
134.03749	3.6
135.04527	1.9
137.02396	0.7
143.03503	0.3
149.06042	0.5
150.03142	0.4
153.05534	0.3
155.03474	0.4
157.13141	0.3
160.01682	0.4
161.02402	1.3
161.04483	0.3
165.05562	0.4
171.02928	0.5
173.04518	5.1
173.08267	0.3
175.04021	0.6
179.03511	1.4
179.05574	1.2
183.10263	0.7
191.05583	100.0
192.05913	4.1
193.05042	2.5
194.05287	0.4
208.97092	0.3
223.06039	0.4
300.02701	0.3
327.04904	0.6
357.15433	0.7
367.10272	20.6
368.10538	2.1
369.13507	1.0
447.09268	0.8
448.08554	0.4
519.18646	0.3
531.18719	0.9
623.97449	0.3
771.22156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81189	5.8
59.01377	100.0
60.00938	6.2
69.22910	54.3
69.23310	16.9
69.56763	5.9
71.01375	52.0
73.02940	40.5
83.01384	14.9
85.02941	9.9
89.02429	21.4
101.02428	35.4
113.02447	30.1
119.03515	13.3
119.05019	53.2
135.04509	21.3
149.04414	8.6
158.19064	5.7
159.49840	6.1
161.04514	8.3
173.04483	9.4
179.03476	39.8
215.88535	5.8
281.10239	64.1
296.65268	7.1
299.11353	12.9
341.12372	94.7
364.19571	6.1
477.12872	6.6
539.04553	6.3
591.52527	5.4
624.72949	7.2
655.41583	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	771.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94871	0.7
55.01885	1.2
55.63287	0.9
58.00572	2.2
59.01372	100.0
59.05590	0.9
63.91136	0.8
66.30430	0.9
71.01374	45.4
72.01717	0.9
72.99281	2.1
73.02940	47.4
76.72859	0.8
83.01371	12.2
85.02935	10.7
87.00858	2.6
89.02434	23.9
95.01376	3.2
97.02901	1.8
98.20134	5.7
99.00855	1.8
101.02432	44.1
103.04620	0.9
103.66136	0.9
113.02436	26.3
113.55254	1.1
119.03615	8.6
119.05007	54.9
120.05344	2.3
125.02391	1.1
131.03453	3.1
137.06052	3.3
143.03506	4.3
149.04578	5.8
155.03476	1.2
160.67444	0.9
161.04555	13.7
179.05550	1.2
184.99641	0.9
191.05629	1.9
203.05513	1.7
207.31140	1.0
221.06534	3.5
252.26494	0.9
281.10254	60.7
282.10510	4.6
299.11346	13.5
300.11429	1.2
341.12350	94.1
342.12698	10.8
382.45395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
57.03435	0.5
58.00584	0.2
59.01373	100.0
60.01695	0.9
69.32203	0.9
69.32624	0.5
71.01375	11.0
72.01743	0.2
72.99308	0.4
73.02943	3.8
75.00862	0.3
79.80952	0.2
83.01389	1.7
85.02941	5.5
87.00867	0.4
89.02433	2.5
92.23159	0.2
95.01377	0.9
97.02940	0.4
98.19896	0.3
99.00864	1.3
101.02434	8.3
102.02790	0.3
104.92854	0.2
113.02435	4.3
119.03490	0.2
125.02422	0.3
131.03502	0.7
133.02934	0.5
135.04494	1.3
143.03493	0.5
149.04558	2.1
159.02972	1.0
161.02505	1.2
161.04532	4.8
162.02797	0.2
162.04903	0.3
179.03503	1.9
179.05054	0.2
179.05710	0.2
191.05600	0.5
251.09187	0.2
269.10257	11.9
270.10724	0.6
279.47165	0.2
311.11328	7.6
312.11758	0.7
322.22369	0.2
415.16003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.2
59.01373	48.2
61.98817	4.2
67.01884	11.3
68.99813	16.9
69.03449	6.7
71.01375	10.4
72.99304	1.7
73.02945	1.1
81.03445	1.0
83.05028	4.2
85.02945	8.6
87.00886	1.6
88.98832	1.3
89.02451	7.1
91.05531	1.6
93.03448	37.6
95.00887	1.1
95.01372	6.5
95.05009	1.2
96.95998	5.8
97.02946	2.2
98.19879	2.1
99.00848	2.4
99.04512	3.1
101.02426	24.2
107.05036	7.4
109.02965	2.4
110.23630	1.0
111.00873	60.6
111.04507	26.5
112.04852	1.6
113.02441	14.1
115.00314	0.9
117.03443	3.6
119.03510	1.7
119.05015	8.2
121.02939	6.8
123.04535	2.9
125.02396	2.5
125.06084	2.6
127.03997	24.5
132.02148	11.0
133.02980	8.1
134.03726	39.6
135.04529	30.7
136.01643	2.9
136.04901	1.2
137.02437	23.3
137.06052	3.0
138.02774	1.4
139.00363	28.0
140.00687	1.9
143.03505	2.5
145.02956	2.0
147.04529	9.2
148.05244	4.4
149.02400	4.7
149.06052	11.8
150.03110	1.5
151.03983	4.7
151.07642	4.0
153.01897	1.4
153.05556	20.2
154.05914	1.2
158.03647	1.5
160.01651	41.2
161.02414	8.8
163.02710	1.6
163.04008	23.7
163.07542	1.5
164.04610	2.1
165.01912	9.1
165.05586	2.1
166.02425	1.0
167.07092	1.3
171.02972	2.8
173.06049	3.7
174.03253	1.7
175.03992	46.5
175.74695	0.9
176.04768	22.5
177.01936	6.6
177.05438	5.0
178.02719	7.0
179.03465	15.3
179.05026	1.2
179.05653	1.3
181.80040	1.0
181.83762	1.0
187.00266	1.0
189.01945	2.2
190.02592	1.2
191.07141	30.4
192.04269	3.8
192.07413	1.8
193.05037	48.3
194.05434	2.4
195.06610	32.5
207.02979	4.3
207.06573	13.0
208.11794	1.0
217.05045	2.2
219.06522	1.2
220.03725	6.0
221.04494	4.8
223.06082	2.3
235.06088	64.0
236.06433	4.4
239.05566	9.1
265.07126	15.7
266.07205	1.2
273.07654	28.9
274.07846	2.2
275.05566	22.2
276.05972	1.3
276.42276	1.2
281.06732	2.9
287.09406	1.2
291.08878	2.5
295.08194	18.0
296.08493	1.5
299.09024	1.7
306.35416	1.0
307.08182	100.0
308.08554	7.3
315.08704	37.3
316.09024	2.6
321.09879	1.1
333.09741	17.6
334.09927	1.4
337.09305	2.4
343.08270	6.0
355.10349	11.3
357.09702	4.3
361.09201	4.6
375.10791	13.7
376.11169	2.0
403.10349	5.3
435.12857	24.9
436.13318	3.6
461.12659	1.7
579.17102	2.9
597.18152	41.4
598.18768	6.2
773.22235	13.4
774.23328	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	773.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
57.03429	3.7
59.01371	60.2
61.98816	6.3
65.03939	2.0
67.01885	12.8
68.99812	15.0
69.03445	6.3
69.92815	1.4
71.01373	33.9
72.99303	2.5
73.02918	4.1
81.03447	2.3
82.84485	1.4
83.01393	2.8
83.05005	3.1
85.02944	22.7
87.00845	1.7
89.02450	14.8
89.03949	1.8
91.05514	3.3
93.03449	35.7
95.01343	10.9
95.05009	2.2
96.96004	9.8
98.20576	2.8
99.00893	3.4
99.04511	3.6
101.02427	29.8
101.03073	2.0
104.58696	1.3
107.05024	9.4
111.00867	58.4
111.01641	3.0
111.04497	30.8
113.02435	36.0
117.03439	4.4
119.03494	3.4
119.05018	10.6
121.02927	8.2
123.04588	3.4
125.02422	3.5
125.06038	2.5
127.03999	22.5
132.02155	16.2
133.02930	9.8
134.03729	61.8
135.04517	37.5
135.06119	1.6
136.01701	2.4
137.02440	21.2
137.06061	4.9
139.00371	29.5
143.03445	2.8
147.04477	11.2
148.05241	5.5
149.02432	8.4
149.06070	9.6
151.03990	4.9
151.07591	3.8
153.05557	17.3
155.03595	2.7
160.01646	64.8
161.02464	11.5
161.04491	7.4
162.03079	1.6
163.03981	30.3
164.04695	6.0
165.01903	10.9
171.02969	1.6
174.03189	3.6
175.03975	64.1
176.04747	25.7
177.01915	4.6
177.05495	5.6
178.02650	6.8
179.03458	15.5
179.05588	3.9
179.07028	1.7
189.01918	3.2
191.07144	22.3
192.04280	2.2
193.05022	48.0
194.05333	3.8
195.06596	33.6
196.06941	2.7
202.02699	4.0
205.05135	1.7
206.05765	1.8
207.02910	5.8
207.06580	9.2
217.04997	13.9
219.06552	1.6
220.03757	4.0
221.04399	1.6
223.06067	8.6
235.06084	44.6
236.06520	3.2
239.05528	6.9
247.77815	1.4
265.07098	7.7
273.07675	28.1
274.07938	2.6
275.05624	18.2
276.05942	1.9
281.06592	3.4
284.03238	4.1
287.09222	3.1
291.08798	2.9
295.08200	4.4
296.23288	1.9
299.05508	4.2
307.08188	86.6
308.08527	6.3
315.08682	30.1
316.08932	2.5
333.09714	17.5
337.09143	3.6
343.08163	5.3
355.10391	7.4
357.09686	3.5
361.09097	2.3
369.25574	1.5
375.10721	15.6
376.11084	3.1
397.31384	1.5
399.10614	1.5
403.10318	2.3
435.12863	42.1
436.13089	7.1
451.12460	2.8
461.13080	1.8
537.15906	2.6
579.17102	17.8
580.17444	3.0
597.18134	100.0
598.18469	19.0
737.34088	5.1
773.22534	14.0
774.23590	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	773.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98821	0.7
69.29615	2.1
69.30028	1.1
70.84050	0.3
71.01378	1.6
72.99311	0.4
73.02936	0.5
85.02954	0.9
87.00889	0.4
87.20035	0.3
88.98800	0.7
89.02428	0.7
89.03958	0.7
93.03445	2.1
95.01381	0.5
95.04997	0.4
96.96022	0.7
101.02422	0.8
103.06969	0.4
106.04198	0.6
108.02155	0.5
109.02966	0.5
113.02446	1.1
117.03451	4.0
119.05012	1.6
121.02937	11.4
122.03748	5.2
123.04523	0.6
125.63434	0.4
132.02151	2.5
133.02968	2.2
134.03725	77.6
135.04417	3.5
136.01636	1.6
137.02422	4.2
139.03993	1.5
145.02942	0.9
147.04497	1.0
148.01643	0.8
148.05319	0.4
149.02423	17.9
149.04874	0.7
149.06055	13.2
150.03206	39.1
151.03490	2.0
153.05492	0.8
158.85274	0.3
160.01636	10.8
161.02328	0.8
161.04617	0.4
163.03935	1.1
164.04779	3.5
165.05544	38.8
166.05899	1.9
175.03975	11.5
176.04395	0.7
176.84636	0.3
178.02689	17.7
179.03300	1.3
180.04279	2.8
181.04813	0.4
190.02809	0.3
192.04309	0.8
193.05025	100.0
194.05348	6.1
195.06587	18.6
196.06966	1.1
205.06639	0.5
207.06436	0.4
220.49324	0.3
221.06039	1.3
222.06593	0.4
223.07674	0.4
233.06107	1.0
234.06726	1.1
235.07578	0.5
238.06367	0.7
239.07101	2.4
250.06410	2.9
251.07088	0.6
253.08679	0.9
254.09377	0.9
265.08688	0.5
267.06567	2.5
269.10141	0.4
281.08405	0.5
282.08936	8.9
283.09155	0.7
285.03986	0.5
297.07846	0.5
297.11276	1.0
326.07852	0.8
327.12009	0.4
341.10242	35.1
342.10532	4.1
371.11292	10.4
371.16040	0.6
372.11487	1.2
389.12360	30.0
390.12766	4.0
407.12790	0.4
418.84839	0.4
438.46988	0.4
577.19147	28.6
578.11481	0.6
578.19562	5.4
627.21539	0.4
773.26294	3.5
773.37756	0.4
774.26855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	43.8
60.53071	2.2
71.01371	25.7
71.61600	3.5
72.99284	3.2
83.01364	2.8
85.02948	6.8
89.02431	15.2
92.98668	1.9
93.03449	2.9
95.01384	2.5
96.96011	3.7
99.04494	15.2
101.02423	13.2
101.90330	1.7
108.66576	2.2
109.02900	2.1
113.02393	9.2
116.47201	1.8
119.03490	4.9
119.04990	3.7
121.03010	3.5
123.04540	2.4
132.02135	3.4
133.02939	27.1
134.03728	32.3
135.04512	88.2
136.04863	4.6
137.02437	5.4
148.05278	2.8
149.02438	6.1
149.06062	19.9
150.03195	14.8
151.00374	2.7
160.01630	14.4
161.02412	93.8
162.02814	7.6
165.04182	2.8
165.05484	12.0
175.03984	22.7
177.05539	30.5
178.02733	4.2
179.03470	100.0
180.03813	4.2
189.12804	2.9
191.05579	2.8
193.05048	35.2
195.06645	9.0
207.13866	25.8
210.28995	1.9
221.04514	41.1
222.04865	1.9
251.05542	21.8
251.12831	35.8
252.13264	2.6
281.06616	38.6
282.06808	2.8
323.07822	2.1
341.08630	28.7
371.11447	4.7
379.15952	2.7
389.12350	3.7
431.19141	25.7
526.50281	2.4
577.19379	18.7
578.19489	2.4
593.22235	77.8
594.22827	13.6
611.25513	25.3
616.92865	2.1
641.91534	2.3
773.28656	80.4
774.28693	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
60.01717	1.0
61.98823	5.0
70.47081	0.5
70.47419	1.3
71.01364	2.5
73.02936	0.7
83.01382	0.5
85.02942	1.4
87.00864	0.6
88.73612	0.4
93.00020	0.5
93.03443	3.2
96.95994	11.7
98.95543	0.5
101.02432	1.4
113.02448	1.3
119.05018	0.8
121.02940	32.6
122.03726	0.9
123.04485	0.7
133.02962	1.3
134.03735	1.6
135.04501	4.2
135.08134	4.1
136.01657	1.7
137.02393	0.6
147.04483	1.4
149.02417	23.7
150.02774	0.9
151.03964	2.2
153.09186	3.1
154.09631	0.5
161.02391	1.5
161.04555	1.2
163.03998	1.7
164.04768	22.0
165.05153	1.0
175.00308	2.0
175.03989	0.6
177.05540	0.6
177.09122	0.5
179.03458	1.3
179.07089	7.2
190.02647	4.0
193.05025	1.0
197.08159	28.0
198.08472	0.9
205.05043	3.6
221.08090	1.2
223.06076	35.0
224.06390	2.3
259.80725	0.6
285.04010	1.1
334.83279	0.5
341.12366	1.8
356.12589	54.1
357.12930	7.7
371.14929	99.4
372.15250	12.0
382.40396	0.5
664.38483	0.6
713.27905	0.7
735.32330	0.9
737.33899	9.3
738.34076	2.9
766.59241	0.6
773.36407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.1
61.98817	0.2
62.41765	0.1
70.88380	0.1
71.01385	0.1
77.10231	0.1
78.95894	1.4
79.95729	3.8
84.13371	0.1
95.97592	0.1
96.95997	100.0
97.95924	0.3
111.01669	0.1
127.31239	0.1
147.72652	0.1
171.10193	0.1
257.43030	0.1
289.29230	0.1
291.85034	0.1
295.19604	0.1
435.07877	0.1
453.09079	0.3
459.85025	0.1
465.12881	0.1
500.15286	0.1
713.29999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96618	0.1
56.67001	0.1
59.01378	0.2
61.98829	0.9
71.61427	0.2
78.16850	0.2
78.95890	1.2
79.65247	0.2
79.95730	3.4
80.26170	0.1
83.40027	0.1
94.56231	0.1
95.97613	0.2
96.96001	100.0
97.95950	0.5
111.04766	0.1
122.15137	0.2
148.14276	0.2
152.99620	0.2
172.02515	0.2
182.32045	0.2
249.85649	0.2
277.21841	0.2
333.23563	0.1
453.09113	0.2
593.27960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.3
67.91927	0.1
71.01363	0.1
78.95882	0.3
79.95730	3.5
96.95998	100.0
97.95950	0.4
113.02450	0.2
117.03441	0.4
119.05029	0.1
127.04049	0.1
130.08699	0.3
135.04433	0.1
145.02927	1.3
161.02429	0.5
173.04535	0.2
225.11226	0.1
229.34682	0.1
352.17639	0.2
353.17850	0.2
407.95343	0.1
633.21594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
61.98802	0.1
71.01353	0.3
71.61229	0.1
79.95730	3.6
96.95997	100.0
97.95915	0.3
101.02467	0.1
103.82847	0.1
113.02431	0.2
117.03452	0.5
119.05034	0.2
130.08762	0.2
133.02942	0.2
135.04465	0.3
145.02931	1.9
146.03235	0.1
156.00752	0.1
161.02403	0.6
161.23404	0.1
163.04008	0.1
179.03554	0.2
333.93463	0.1
541.68213	0.1
633.21832	0.8
667.04279	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	775.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	2.0
59.01373	72.3
65.59617	1.0
67.01885	1.8
69.03448	46.3
71.01376	34.3
71.33820	2.6
72.99288	2.0
73.02598	1.2
73.02934	7.6
83.01342	1.4
85.02936	11.4
87.00830	1.1
89.02433	16.5
90.90098	1.1
95.01385	5.7
95.05028	11.3
99.00830	1.5
101.02437	17.9
102.28359	1.1
103.05476	1.2
106.04230	2.3
113.02435	24.6
119.03535	6.1
119.05013	15.9
121.02933	4.5
121.06581	22.0
122.06934	1.5
123.04501	2.7
137.06100	1.5
139.00374	3.6
139.07629	2.4
143.03433	2.1
149.04539	1.3
149.64294	1.4
161.04530	3.5
165.05556	9.6
179.05577	1.7
183.06522	3.4
209.04507	6.3
281.10263	52.9
282.10675	5.9
287.60767	1.2
299.11401	2.7
341.12305	22.1
342.12543	1.9
345.11853	12.3
389.10834	100.0
390.11185	8.7
488.74411	1.3
535.71759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38344	0.5
57.77584	0.4
59.01376	3.8
61.98821	12.2
62.03227	0.4
67.01878	1.8
68.99810	1.2
69.03477	0.4
69.86412	1.1
69.86818	1.0
71.01367	2.3
73.02925	0.4
85.02969	0.7
87.00864	0.5
88.98798	1.0
89.02444	2.1
93.03446	4.0
95.01415	0.8
95.05016	3.5
96.95994	5.5
96.98969	0.4
97.75424	0.5
99.24117	0.5
101.02428	3.2
105.03487	0.5
109.02935	1.2
110.79697	0.5
111.00871	4.1
113.02438	1.1
116.92844	3.3
119.03465	0.8
121.02943	6.7
122.03728	14.0
123.00845	1.2
123.04594	1.2
127.03991	5.0
133.02939	1.6
134.03717	2.4
135.04507	1.5
136.01697	2.5
137.02449	3.6
139.00348	2.4
139.03987	1.7
147.04652	0.4
149.02422	18.5
149.03592	1.0
149.06114	0.7
150.03204	99.5
151.00368	4.5
151.03777	4.4
152.04706	0.4
159.04453	0.4
160.01648	2.0
161.02432	1.5
161.04521	0.4
163.03981	0.6
164.04756	4.0
165.01907	4.8
165.05544	100.0
166.02692	14.0
166.05872	5.0
167.03320	0.7
173.04520	0.5
175.03998	3.0
177.01926	0.8
177.05614	0.5
179.03494	1.6
179.05573	0.7
180.04256	9.3
181.05040	19.1
182.05356	1.0
190.06313	1.0
191.05550	0.6
192.04271	0.6
193.05049	2.8
195.06598	92.1
196.06938	5.1
198.67740	0.5
205.04999	1.1
207.06569	0.8
209.04550	0.5
210.05310	0.7
215.67470	0.4
220.07379	1.3
221.08209	0.5
223.06073	0.6
225.07646	3.5
226.07980	0.6
235.06223	0.4
241.07092	3.7
253.04904	0.5
264.48230	0.5
268.35312	0.5
343.11694	0.9
357.13602	0.5
359.11697	0.5
372.12335	0.7
387.10544	2.4
387.14743	8.6
388.15121	0.8
402.13156	2.2
403.13763	1.9
417.15482	31.5
418.15906	3.9
503.33173	0.6
565.20575	6.8
566.21008	1.6
579.17126	2.9
583.21564	1.6
595.21912	0.9
613.22797	23.9
614.23108	4.5
624.59222	0.6
625.04187	0.5
775.31628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84333	0.5
59.01382	1.5
60.99311	0.8
61.98826	5.8
71.01393	1.5
71.43970	0.6
71.44395	0.5
85.02943	1.2
88.98812	3.2
93.03442	4.8
95.01411	0.8
95.05034	1.0
96.96012	0.6
101.02447	0.6
103.23424	0.6
103.70254	0.6
107.05041	0.8
108.02183	0.8
109.02934	3.6
111.00891	0.9
113.02451	1.1
119.78166	0.5
121.02936	7.3
122.03732	14.5
123.00883	1.2
123.04600	1.4
124.01644	1.5
125.02412	0.6
126.13936	0.6
133.02971	1.9
134.03729	2.1
135.04535	2.6
136.01671	2.3
137.02429	13.7
138.03224	0.6
139.00394	0.8
139.04004	1.0
147.04530	0.7
149.02431	28.8
149.06055	1.3
150.03209	100.0
151.00360	6.6
151.03743	5.4
152.01160	1.2
152.04764	3.5
153.05545	0.8
159.04471	1.1
160.01756	0.9
161.02426	1.8
161.06091	0.5
162.03162	0.8
163.03989	1.0
164.04782	7.3
165.05550	98.0
166.02699	23.5
166.05855	5.0
167.03433	3.3
174.03165	0.6
175.03999	1.8
176.01036	1.0
176.04761	1.1
177.01894	1.3
177.05548	2.5
178.02740	0.9
179.03503	2.6
179.07094	1.8
180.04262	5.5
181.05048	31.3
182.05350	0.9
183.53047	0.5
184.03841	0.9
187.04004	2.2
190.02754	0.8
190.06340	1.7
191.03445	1.5
192.04285	0.7
193.05038	4.9
195.06599	55.7
196.06952	2.2
202.06296	1.1
205.05014	8.0
206.05670	1.0
207.06589	1.1
207.10146	0.6
219.06696	0.7
220.07420	4.5
221.08020	0.9
223.06119	1.1
282.05240	1.1
313.07242	0.7
315.08691	1.6
324.86954	0.5
325.07190	0.7
329.10172	1.7
341.10266	1.0
355.11725	0.7
359.11349	1.0
371.11249	1.1
372.12262	1.3
386.13812	1.0
387.09882	3.7
387.14899	5.9
388.11145	1.1
402.13089	2.8
403.13733	2.5
416.14697	2.5
417.15494	49.8
418.16107	5.4
520.17352	0.7
535.16467	2.2
543.20947	0.8
547.19757	0.8
550.18256	1.8
565.20721	62.3
566.12854	0.4
566.21021	12.3
580.89606	0.6
583.21454	1.5
595.21741	3.1
613.22815	41.9
614.23035	10.2
775.26392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95402	0.1
61.98824	0.2
64.46652	0.1
69.49644	0.2
69.50055	0.8
78.95895	1.6
79.08897	0.1
79.95727	3.6
93.87356	0.1
93.88461	0.1
94.92498	0.2
96.92213	0.6
96.95998	100.0
97.95933	0.4
117.03432	0.1
128.33243	0.1
145.02948	0.4
162.05592	0.1
252.72192	0.1
454.10681	0.1
462.67123	0.1
500.54358	0.2
715.36395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	16.3
61.98806	11.3
64.70563	2.0
69.81190	2.3
71.01376	5.7
71.61631	3.4
89.02425	2.6
90.67093	2.5
96.95996	42.4
98.95580	2.8
101.02443	5.2
113.02421	4.4
133.02910	3.1
134.03680	4.0
135.04480	7.1
141.01665	6.9
149.02469	3.3
161.02409	5.9
164.04782	5.9
177.05760	2.3
179.03516	4.0
193.05095	3.9
223.06017	7.9
224.06468	2.9
399.84772	2.5
452.31253	2.7
739.42755	5.4
775.40393	100.0
776.40778	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	775.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	100.0
70.88376	23.0
116.92866	47.6
117.68339	16.1
148.13443	13.6
158.78012	14.7
276.43250	17.8
279.23462	19.7
396.93140	17.2
775.50488	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	775.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
70.33987	0.3
80.96446	0.1
82.81413	0.1
87.02814	0.1
98.19956	0.2
106.52151	0.1
112.72975	0.1
152.70146	0.1
155.00558	0.2
159.73280	0.1
321.35013	0.1
332.72604	0.1
334.10104	0.1
360.24857	0.1
383.84662	0.1
408.11118	0.1
519.81128	0.2
550.90204	0.1
650.45367	0.2
722.13892	0.1
772.99744	0.2
774.64178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
71.01354	1.4
71.61757	0.7
78.95894	100.0
85.02940	0.7
89.02454	1.0
93.28690	0.5
96.96947	9.2
100.60889	0.5
101.02436	0.9
113.02435	1.2
123.04483	0.7
133.02931	5.9
135.04504	6.3
150.98041	0.6
152.99564	26.5
153.05620	0.5
161.02425	18.8
162.02774	0.7
171.00615	14.5
179.03448	1.3
207.00583	1.0
225.01854	0.6
239.03232	0.5
315.10834	1.8
330.23779	0.5
343.25421	0.5
477.14148	0.6
523.12140	2.2
541.13367	1.2
550.59906	0.5
615.16534	3.7
623.19934	1.1
685.15582	0.7
719.26001	0.6
771.60779	0.6
777.19983	51.6
778.20331	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	777.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.7
61.98824	5.8
67.01881	1.7
68.99520	0.4
68.99826	3.3
69.03458	0.5
69.36508	1.1
69.36916	3.6
69.76106	0.4
71.01374	5.2
72.99287	0.7
81.03446	0.5
85.02953	1.6
85.54158	0.5
87.00867	0.8
89.02428	4.7
89.03944	0.6
91.05540	1.0
93.03448	5.7
95.01395	2.2
101.02429	7.0
106.04202	0.6
107.05018	4.7
108.02197	0.6
109.02934	2.3
110.02277	0.5
111.00861	8.1
111.04519	3.8
113.02444	2.9
117.03475	1.7
119.03495	2.1
119.04990	2.2
121.02963	3.0
123.04491	2.2
127.04004	3.0
133.02960	1.7
134.03731	11.1
135.04507	100.0
136.04822	4.6
137.02428	7.9
137.06081	1.9
139.00354	7.5
145.02930	0.8
149.06024	0.9
151.03981	0.9
151.07726	0.6
153.01900	0.7
153.05551	5.2
153.09180	0.7
161.02406	10.5
162.03163	0.9
163.04004	8.4
164.04222	0.7
165.01895	6.9
165.05499	2.2
173.04559	0.5
177.01842	0.7
177.05511	1.2
179.03470	22.4
179.05269	0.7
179.05655	1.0
180.03951	1.1
181.05199	0.6
189.01944	2.3
193.04997	2.3
194.02240	0.6
195.06618	4.7
196.06966	0.6
197.08217	1.1
207.02942	3.5
221.04500	0.6
239.05556	0.7
251.67717	0.5
271.09747	1.1
273.07574	3.0
275.05588	2.0
275.21060	0.5
285.04089	2.9
286.04300	1.2
287.04660	1.0
297.07474	1.1
307.08130	5.2
312.43549	0.5
315.08701	17.4
316.08981	1.4
329.10062	0.8
333.09744	3.2
343.07968	0.6
357.09818	1.7
375.10699	2.8
435.12604	2.8
436.12772	0.5
437.08640	1.3
453.11847	0.9
455.09567	2.7
461.12643	0.7
469.11328	5.4
477.11932	1.3
487.12311	3.0
490.97949	0.5
495.13141	2.8
505.11530	0.6
513.13617	1.4
519.12781	0.8
523.11847	0.7
583.14368	1.6
597.17761	5.3
598.18073	1.2
759.21014	2.8
760.21503	0.7
777.22217	25.4
778.22217	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	777.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79388	0.4
55.99126	0.4
57.03431	0.7
58.00601	1.3
59.01373	33.1
69.36974	3.7
71.01371	20.4
72.01698	0.7
72.99302	1.6
73.02929	1.0
82.64709	0.4
82.84622	0.4
83.01376	1.1
85.02945	3.3
87.00858	1.1
89.02432	21.4
95.01368	1.9
95.75782	0.5
101.02433	14.5
107.05000	0.8
113.02438	8.9
119.03490	8.3
119.04993	2.0
123.04502	2.8
131.03424	0.6
134.03697	1.1
135.04510	36.0
136.04843	2.0
143.03493	1.2
151.03955	1.0
153.05551	5.1
161.04507	0.9
179.05559	1.4
186.11591	0.5
216.99100	0.5
299.11310	11.8
300.11646	1.5
301.11780	0.5
313.09207	0.5
315.10806	100.0
316.11102	8.3
391.04239	1.8
461.16843	2.4
462.16879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
58.28131	0.5
59.01367	7.8
61.98821	10.0
68.99868	0.5
69.03445	0.9
71.01373	10.8
72.99290	1.1
73.02942	6.0
75.00874	0.5
83.01369	2.0
85.02942	6.4
87.00857	1.1
89.02425	4.7
95.01358	1.0
96.96014	3.1
97.02926	0.6
99.00870	2.9
100.75043	0.5
101.02428	10.4
111.00871	2.9
113.02443	4.9
119.03419	0.7
125.02415	1.3
127.03963	1.3
127.75371	0.5
131.03485	0.6
134.03719	2.2
135.04485	2.1
141.01877	0.8
159.02908	1.4
161.02399	1.2
161.04524	1.4
179.03484	1.4
193.05009	2.5
224.94119	0.5
291.08777	0.7
424.54889	0.5
447.33109	2.3
471.34604	2.1
609.38446	4.0
733.43799	1.0
741.42645	100.0
742.42987	22.6
777.40570	9.2
777.87659	0.6
778.41895	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	779.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
59.01373	5.8
59.72655	1.2
67.87250	1.3
70.44476	1.4
71.01374	8.4
85.02946	7.3
89.02455	1.8
93.03452	3.3
95.01386	3.3
101.02409	1.9
113.02457	13.8
115.45319	1.6
117.03464	2.1
119.05093	1.5
132.02180	3.2
133.02939	46.3
134.03340	1.8
135.04514	24.9
137.02432	3.5
143.03490	1.5
145.02908	2.3
147.21266	1.6
161.02429	100.0
162.02757	6.3
176.01724	5.5
179.03470	21.9
190.03265	7.2
191.05573	2.4
191.11359	1.5
192.04843	5.6
204.04912	3.9
217.20712	1.5
229.95898	1.7
243.12305	2.0
247.05388	18.9
265.06433	1.9
273.73169	1.4
460.41980	1.7
525.16290	1.7
573.17798	2.6
617.16315	11.6
735.20569	10.9
736.21313	2.7
743.21869	16.9
744.21838	4.2
761.18073	1.9
779.19641	33.8
780.20087	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	779.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
57.03442	2.3
59.01370	28.6
61.98820	4.7
67.01884	7.5
68.99812	15.7
69.03455	1.3
69.48074	2.0
69.48485	5.0
71.01373	20.0
73.02949	1.8
82.95440	1.0
83.01363	0.9
85.02931	19.9
87.00871	2.4
89.02425	12.6
91.05495	1.8
93.03450	8.8
95.01383	8.1
95.05009	1.4
96.95995	2.8
97.02950	2.4
98.20602	1.1
99.00887	1.7
99.04453	1.0
101.02429	29.0
107.05036	2.8
111.00865	10.5
111.04501	2.2
113.02435	49.0
113.90721	0.8
114.02794	0.9
117.03415	1.9
119.03503	4.4
119.05006	9.5
121.02950	6.1
123.04510	1.3
125.02409	3.2
125.06016	2.4
127.03972	8.9
128.63992	0.9
131.03426	1.5
133.02939	5.7
134.03735	2.5
135.04504	11.7
136.01619	1.1
137.02432	1.6
137.06064	5.7
139.00342	5.0
143.03477	5.8
145.02927	2.4
149.02509	0.9
149.06056	2.3
150.03209	2.0
151.03981	1.6
151.07619	14.9
152.08008	1.3
153.01944	2.0
153.05530	4.1
153.09198	6.7
161.02461	21.8
161.04515	33.7
163.03981	12.9
163.07556	1.0
165.05551	2.3
167.07124	3.9
171.02963	3.3
175.03938	2.3
177.05554	4.1
179.03479	11.7
179.05588	11.8
179.07057	1.3
189.01901	23.8
189.14606	0.9
190.02100	1.1
191.03439	0.9
193.04955	4.3
195.06592	16.8
197.08099	5.2
203.03476	1.7
207.02928	2.7
212.69534	0.9
221.04514	20.3
223.05852	0.9
231.06483	0.8
239.05559	2.0
257.08093	3.2
281.06763	1.7
282.26324	0.8
291.08704	34.8
292.09055	4.4
315.12390	11.8
316.12668	1.2
317.10150	10.4
323.09830	4.0
325.10303	1.3
327.08621	2.0
331.11960	4.7
341.10385	2.7
357.13528	1.1
359.11301	100.0
360.11600	10.6
419.13431	15.4
420.13724	2.0
485.14526	1.2
503.15714	2.0
683.21832	6.0
743.23834	8.7
744.23871	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	779.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.6
58.49674	0.4
59.01373	31.8
59.35872	0.4
59.58291	0.4
60.01711	0.4
61.87235	0.4
65.03938	0.4
67.01875	0.8
69.03448	41.8
69.30164	2.9
69.31292	0.3
70.03783	1.0
71.01375	11.3
72.99297	0.9
73.02920	0.5
83.01385	0.5
83.99408	0.4
85.02941	2.4
87.00879	0.6
89.02434	12.5
89.02987	0.6
93.03448	0.9
93.07112	0.6
95.01368	1.5
95.05016	10.3
96.50076	0.5
96.95975	2.4
98.20685	0.6
101.02433	7.6
103.05549	0.4
106.04254	1.8
111.00855	0.6
113.02441	5.1
119.03489	5.3
119.05013	0.8
120.03822	0.4
121.02963	3.1
121.06580	19.6
122.06884	0.7
123.04512	2.8
134.03726	0.8
135.04523	0.5
137.30190	0.4
139.00352	3.4
139.03984	0.8
139.07669	2.6
147.04486	0.6
149.02428	0.4
149.04546	0.6
161.02484	0.7
161.04567	0.8
165.05544	8.2
166.05894	0.4
173.04521	1.6
173.88326	0.4
179.05577	1.3
183.06598	3.7
191.05688	0.9
193.05022	0.6
209.04527	6.5
210.04935	0.6
213.73122	0.4
268.10034	0.4
303.90240	0.4
345.11847	11.7
346.12241	0.8
374.64584	0.4
389.10831	100.0
390.11145	10.1
565.19391	0.4
779.20050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.98823	0.9
62.18675	0.3
70.92656	0.3
71.01389	0.6
71.61906	0.3
93.03443	0.5
96.96017	1.2
98.95573	0.7
101.02444	0.6
111.00797	0.3
116.93258	0.3
121.02941	0.5
122.03698	0.6
123.04552	0.4
125.09711	0.4
134.03708	1.5
135.04532	1.4
137.02414	0.3
149.02435	2.2
150.03214	5.7
151.00363	1.4
151.03819	0.3
151.21170	0.3
153.09190	75.4
154.09534	3.4
160.01564	0.3
161.02402	0.7
163.03963	0.8
164.04742	0.8
165.05533	5.0
166.02580	0.3
166.05881	0.3
169.08646	0.4
175.03986	0.6
177.05528	0.5
179.07153	0.8
181.05011	0.5
190.02740	0.7
191.03398	0.4
193.05040	1.0
195.06621	3.0
197.08157	100.0
198.08461	5.5
205.04979	0.7
206.05753	1.0
207.02908	0.4
208.03758	0.6
221.08168	0.6
223.06047	1.8
265.07025	2.0
267.06339	0.4
268.07416	0.4
283.06177	0.4
283.09543	0.3
287.05511	0.7
308.06897	0.4
323.09189	0.7
324.10153	0.3
326.07834	0.5
326.11514	0.3
327.08627	1.1
327.12253	0.3
339.08679	1.7
340.09244	0.5
341.10162	0.8
342.11020	1.2
343.11722	1.7
354.11069	0.7
356.12677	0.4
357.13315	2.9
369.13336	4.4
370.13925	0.5
381.07959	0.3
419.13400	1.1
461.14700	0.7
731.26837	1.0
779.26935	2.4
780.27966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41845	0.3
58.74342	0.2
59.01377	1.3
61.98815	0.4
68.99805	0.2
69.03474	0.3
69.26909	2.1
71.01387	0.8
85.02946	0.6
89.02439	0.6
93.03464	0.5
95.01417	0.3
96.95994	0.8
97.02957	0.8
101.02430	0.5
111.00861	0.4
113.02451	0.7
115.41237	0.3
117.03517	0.2
119.03545	0.3
119.05044	0.4
121.02932	1.2
122.03719	1.0
125.09728	0.8
131.49593	0.3
132.28424	0.2
133.02946	0.7
134.03711	3.1
135.04489	1.0
135.08115	0.4
136.01631	0.4
137.02420	0.7
139.04065	0.2
141.01921	0.7
141.09196	0.6
146.03700	0.7
149.02406	2.4
149.06090	0.6
150.03210	7.3
151.00316	0.3
151.03836	0.4
153.09195	76.0
154.09546	3.1
160.01662	0.5
161.02419	0.8
161.06010	0.4
163.03975	0.5
164.04791	1.0
165.01979	0.6
165.05548	7.5
166.05864	0.4
169.08659	0.6
171.10231	0.4
175.03999	1.1
176.04724	0.5
177.01860	0.3
178.02696	0.9
179.03459	0.5
179.07126	0.8
180.04257	1.0
181.04965	0.5
191.07130	0.6
193.05035	6.5
193.06760	0.5
195.04799	0.3
195.06627	5.2
197.08162	100.0
198.08498	5.1
201.10771	0.2
206.05806	0.5
215.09186	3.3
217.49709	0.3
221.08247	0.4
223.06110	1.1
235.06007	0.6
256.06958	0.3
265.06934	0.5
268.07437	0.4
282.08658	0.3
283.09695	0.3
285.03986	0.4
296.06879	0.3
307.08206	1.0
308.06714	0.3
309.07559	0.5
311.09094	0.4
312.06442	0.4
323.09097	0.5
324.10037	0.6
327.08621	0.9
327.12250	0.4
339.08551	1.3
339.12143	0.5
340.08817	0.4
341.10239	1.9
342.10806	1.3
343.11609	1.2
354.11176	0.6
356.12805	0.3
357.13318	2.9
358.14011	0.3
359.11493	0.3
369.13345	3.4
370.13864	0.5
373.12595	0.4
389.12296	2.9
390.12827	0.4
419.13403	1.1
461.14825	0.6
521.16803	0.5
535.20093	0.4
583.21472	0.4
599.27448	0.5
731.27020	0.5
747.25549	0.3
779.27570	1.7
780.28046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30960	0.9
59.01094	1.3
59.01374	23.2
61.98813	1.5
69.03444	2.2
70.55822	2.9
71.01382	3.8
71.04992	1.0
71.12890	0.8
73.02934	1.0
85.02957	1.5
89.02417	3.1
96.95948	0.8
101.02446	4.6
113.02438	2.3
116.92813	1.8
143.65483	0.7
148.39450	0.8
161.04576	1.0
167.10760	3.8
179.05406	1.2
179.10759	1.4
179.14363	3.3
195.13869	9.4
205.12296	8.3
206.12552	0.7
215.41281	0.8
218.31790	0.7
223.13358	100.0
224.13704	7.1
235.08232	3.5
253.09262	9.0
266.59161	0.8
275.20325	0.8
277.21677	91.5
278.22028	8.6
321.76089	0.9
433.61285	1.1
441.21707	3.6
459.22165	13.6
460.22220	2.2
513.30286	1.8
644.49854	0.9
719.43805	3.1
779.39465	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	779.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73450	0.3
61.98814	2.4
67.58503	0.3
68.62643	0.3
71.05009	1.4
71.61217	0.5
78.95919	0.4
96.96011	0.8
119.59871	0.4
121.10210	1.0
122.86652	0.4
128.90169	0.4
171.10254	3.6
172.06361	0.4
183.13910	0.4
231.21156	0.4
242.12114	0.4
264.80847	0.4
275.20114	6.3
293.21191	12.8
294.21490	1.1
369.27698	0.5
375.92035	0.4
399.96039	0.5
407.29489	0.5
421.31348	0.5
423.32629	1.4
425.30560	1.3
426.31033	0.4
437.30316	0.9
441.33765	1.1
467.31567	11.0
468.31897	1.3
485.32635	100.0
486.33032	16.6
486.38364	0.3
514.61877	0.4
551.05188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02216	0.3
59.01365	1.5
59.98510	0.3
61.98820	0.7
69.03437	1.2
69.49424	2.3
71.01373	6.8
73.02938	7.0
77.93144	0.3
81.48496	0.4
87.00851	2.2
89.02444	0.8
98.19828	0.3
99.27254	0.3
101.02448	2.6
102.56169	0.3
103.03993	2.1
119.03479	1.3
133.02942	0.6
139.11273	2.3
147.02965	1.3
151.44434	0.3
161.02451	0.4
175.03891	0.4
185.11797	100.0
186.12135	5.4
256.03799	0.3
262.50980	0.3
284.03180	6.3
285.03992	15.9
286.04288	1.3
310.99774	0.3
333.15497	77.5
334.15826	6.8
348.22549	0.4
412.03778	0.4
416.61377	0.4
437.54630	0.4
447.09235	11.0
448.09525	1.5
460.92648	0.4
555.68250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.34249	1.0
57.03425	2.1
58.00593	1.4
59.01371	100.0
60.01711	1.2
69.97707	1.3
71.01373	62.1
71.60703	1.2
72.99282	3.7
73.02937	41.2
74.03249	1.2
83.01386	13.6
85.02943	12.2
87.00871	3.0
89.02435	25.3
93.03420	2.7
95.01375	5.2
97.02932	1.7
99.00827	1.9
101.01762	2.4
101.02430	47.2
113.02441	28.8
119.03605	9.6
119.05012	55.0
120.05289	1.6
125.02421	2.7
131.03467	3.7
135.04474	2.4
137.06068	2.7
143.03471	6.9
149.04527	7.8
161.02414	5.0
161.04530	13.0
173.04500	2.5
179.03447	2.9
179.05504	1.7
191.05592	6.8
221.06631	3.8
248.87137	1.2
281.10269	62.7
282.10648	5.7
293.08719	2.7
299.11325	15.0
337.09158	3.9
341.12350	99.6
342.12668	9.3
455.89505	1.4
663.83966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54013	0.4
56.91585	0.5
59.01365	0.7
61.51905	0.4
61.98817	1.6
71.01367	0.5
71.62170	0.6
85.02941	0.6
93.03441	0.8
100.93744	0.5
108.02140	1.2
109.02927	0.7
109.06580	1.5
113.18427	0.4
121.02940	4.1
122.03715	2.5
126.24680	0.5
134.03746	0.7
134.89484	1.0
136.01642	81.8
137.02245	2.0
137.23874	0.5
149.05989	0.5
151.03987	100.0
152.04320	4.0
159.04482	1.2
160.05302	1.6
162.03145	0.9
163.03958	1.0
163.11275	1.1
175.03917	1.3
175.07634	1.6
177.05557	1.1
179.03406	0.5
187.03978	0.8
189.05643	0.6
202.13168	0.5
207.10266	3.2
225.11310	1.6
244.70296	0.5
277.21667	3.5
279.23193	1.7
311.12759	1.1
338.41321	0.6
342.10968	4.7
343.11356	0.8
357.13370	99.3
358.13690	10.2
358.17963	0.6
688.80627	0.6
721.40808	1.2
792.37970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98804	0.3
73.97774	0.2
83.92877	0.2
93.03465	0.8
96.95992	0.2
108.02156	0.3
111.00942	0.3
121.02936	4.2
122.03761	1.1
123.00844	0.9
123.04485	0.4
124.01645	0.4
125.57475	0.2
131.05061	0.4
131.06342	0.2
134.03700	0.2
135.04510	0.5
136.01682	0.3
136.05336	1.0
136.89154	0.5
137.02457	1.8
137.06064	0.5
137.89189	0.3
138.02852	0.3
139.00328	0.5
143.04982	0.8
145.02942	0.3
145.06514	0.2
146.03682	0.3
147.00801	0.2
147.04492	2.8
149.02394	1.8
149.06026	0.2
150.03210	6.1
151.03889	0.3
153.05571	0.4
158.03719	2.5
159.04489	8.9
160.05275	27.1
161.06061	8.0
162.03185	0.4
162.06422	0.4
163.03975	6.2
164.04770	5.4
165.05389	0.2
168.04225	0.3
173.06064	3.0
174.06570	0.3
175.07611	23.5
176.04729	0.5
176.07959	1.2
177.05536	6.8
178.06325	6.8
179.03468	0.2
179.06691	0.2
191.07056	0.4
192.07825	0.6
193.05067	0.3
193.08659	3.3
193.63422	0.2
201.56128	0.2
220.54393	0.2
237.09259	0.2
277.21686	1.9
299.12723	0.3
310.91348	0.2
314.11441	1.0
329.13879	100.0
330.14221	10.0
359.14868	1.9
375.56757	0.2
503.19144	0.5
730.56653	0.2
732.17786	0.2
781.42334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4364
Annotation	cimifoetiside A
Peak:m/z	Relative Intensity
55.01869	0.5
56.84551	0.1
57.03431	0.4
58.00584	0.6
59.01372	8.5
62.33074	0.1
71.01374	6.6
71.05007	0.9
72.99300	0.6
73.02936	1.0
74.84370	0.1
83.01373	1.5
83.05027	0.3
85.02947	1.6
87.00855	0.6
89.02435	4.8
95.01398	0.1
96.96000	0.2
99.00851	0.4
101.02431	16.2
102.02785	0.3
109.08630	0.1
113.02431	1.3
119.03487	3.1
130.08690	0.2
131.03481	2.6
134.03731	0.2
135.86823	0.1
143.03535	0.2
149.04514	1.0
161.04510	0.3
191.05563	2.1
233.06657	0.2
293.08740	0.3
339.26904	0.2
377.28177	0.2
391.29962	0.5
393.31680	0.6
405.31473	1.2
421.31351	0.2
425.30310	0.2
427.32092	1.9
428.32419	0.2
435.29016	0.3
437.30530	2.4
438.30832	0.4
443.35379	0.8
444.35587	0.2
451.31976	0.4
457.33514	0.2
463.60715	0.1
469.33322	9.7
470.33752	1.5
483.34964	0.8
487.34201	100.0
488.34543	17.3
501.35760	3.1
501.42487	0.2
502.36331	0.5
529.35260	7.0
530.35699	1.4
559.36401	0.4
573.34467	0.2
589.37177	0.2
619.38556	0.7
620.38721	0.2
661.39417	1.5
662.39703	0.4
667.67889	0.1
703.40417	1.3
704.40894	0.4
781.43829	2.7
782.44183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03438	0.3
57.85490	0.1
58.00585	0.6
59.01371	8.0
61.98832	0.6
69.03432	0.1
71.01372	6.9
71.05013	0.9
72.72314	0.1
72.99296	0.5
73.02939	1.0
83.01369	1.5
83.05012	0.1
85.02943	1.5
87.00872	0.4
88.98790	0.1
89.02430	5.0
96.96004	0.3
97.02927	0.1
97.06557	0.2
98.20612	0.3
99.00891	0.5
101.02430	16.0
102.02806	0.2
113.02430	1.5
119.03484	3.0
131.03485	2.4
134.03656	0.2
135.04468	0.2
137.02412	0.1
143.03441	0.2
149.04546	0.9
150.03311	0.1
153.01869	0.1
161.04512	0.4
165.05496	0.1
165.43948	0.1
179.03458	0.2
191.05588	1.9
194.90494	0.1
197.08125	0.2
198.84665	0.1
233.06657	0.4
254.70631	0.1
268.43225	0.1
285.26358	0.1
293.08704	0.2
330.13919	0.1
371.29538	0.2
377.28583	0.2
405.31552	0.4
407.33228	1.0
408.33554	0.1
409.21619	0.1
415.28427	0.2
421.31204	0.2
423.32596	0.9
425.34155	1.0
426.34647	0.2
427.32028	2.6
428.32306	0.3
439.32028	0.3
441.33722	0.3
443.35181	0.7
444.35898	0.2
455.31644	0.3
467.31689	0.2
469.33139	10.1
470.33447	1.8
483.34900	0.7
487.34189	100.0
488.34525	16.2
501.35767	2.9
502.36038	0.4
513.32068	0.5
527.33173	0.2
529.35242	7.4
530.35724	1.2
559.36035	0.7
589.37543	0.4
590.38000	0.2
619.38971	0.6
620.38977	0.2
661.39648	1.3
662.39771	0.3
703.40527	1.5
704.40674	0.2
781.43774	2.8
782.44061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.1
57.03451	0.4
59.01371	3.7
61.98816	0.8
69.03427	0.2
69.25288	1.2
69.25709	0.4
71.01368	4.3
72.99308	0.3
73.02956	0.2
77.03947	0.4
83.01372	0.3
84.02185	0.2
85.02941	4.2
87.00893	0.3
88.98730	0.1
89.02432	1.4
89.03957	0.4
95.01379	1.6
96.96001	0.6
98.19894	0.3
99.00874	0.1
101.02420	0.8
104.02678	0.2
105.03452	0.9
113.02433	5.5
114.80544	0.1
114.99265	0.1
115.01879	0.3
117.03448	1.8
123.04529	0.4
132.02155	3.0
133.02937	42.1
134.03352	1.2
135.04507	5.8
136.04840	0.3
137.02370	0.3
143.03525	0.2
155.82106	0.1
160.01588	0.2
161.02419	100.0
162.02753	4.3
179.03465	1.9
183.16618	0.2
193.05051	1.0
303.55261	0.2
375.05627	0.2
394.60840	0.2
485.82889	0.2
501.04077	0.2
782.26526	30.4
783.26837	7.2
783.41724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	18.1
59.01374	5.5
61.98822	2.9
64.38796	0.5
69.03449	1.0
69.31819	5.3
71.01366	3.5
72.00893	4.4
73.02916	0.6
74.02462	4.6
79.05555	0.7
82.88765	0.5
85.02942	1.8
87.00851	0.6
88.98786	1.3
89.02459	2.2
93.03444	5.0
95.01427	0.8
95.04983	0.8
97.02929	1.1
99.04484	0.8
101.02422	3.4
106.04229	1.6
107.05033	2.6
110.72576	0.5
113.02441	3.5
119.03538	0.8
119.05013	13.9
121.21696	0.5
129.34819	0.5
133.02927	3.3
134.06116	0.7
135.04506	3.5
136.07668	1.1
145.02917	0.8
146.60033	0.5
153.05533	0.6
159.11780	5.3
161.02417	9.5
161.04546	0.6
162.02751	1.0
163.03987	18.5
164.04305	1.0
178.08708	19.3
179.03435	4.1
179.09065	1.0
180.06635	91.6
181.06960	5.1
185.09673	1.0
187.11292	1.3
188.11627	0.8
201.12764	0.7
203.10719	8.2
205.12244	1.1
222.07678	3.2
245.11864	0.7
247.09711	31.1
248.10025	3.6
249.11255	1.6
266.13898	0.8
289.10941	1.0
372.18097	100.0
373.18414	11.6
409.14899	6.2
410.15152	0.7
458.22232	0.8
487.34393	3.8
488.34665	5.1
489.08719	0.7
602.19012	0.6
621.19299	0.6
719.25586	2.4
782.35559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50845	0.4
57.03443	0.9
58.00582	0.3
58.09361	0.3
59.01374	2.1
60.71914	0.4
60.99291	1.6
65.41777	0.3
67.01543	0.5
67.01884	6.6
69.03462	1.3
70.78740	0.3
71.01385	4.4
71.62361	0.4
78.95873	0.7
81.03439	1.7
83.05021	0.9
85.02947	3.3
87.00871	4.3
93.03449	41.8
94.03790	1.2
96.96011	0.7
99.04485	0.6
109.02946	1.5
111.00856	0.8
111.04505	6.0
113.02436	0.6
113.82061	0.3
115.04023	0.5
117.03415	0.4
121.02958	1.5
127.03993	1.9
129.01938	0.8
134.03743	1.8
135.04514	0.4
136.01622	0.8
137.02412	4.2
143.03450	0.4
147.04482	0.8
149.02431	14.1
150.02890	0.5
151.03841	0.6
153.09126	0.6
155.03442	4.1
164.04787	10.1
165.05406	0.4
171.02998	0.4
173.04526	100.0
174.04877	3.8
179.07127	0.6
191.05589	66.9
192.05974	2.6
193.04980	1.2
197.08170	0.7
205.05121	0.4
223.06073	12.8
224.06483	0.9
341.88885	0.4
367.10266	3.3
368.10471	0.5
377.14188	0.5
397.11331	41.3
398.11713	5.7
644.64886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	6.3
61.98825	18.9
62.07587	0.8
65.03950	1.0
65.88137	0.8
67.01884	14.9
68.99809	45.3
69.03457	12.4
69.32645	7.7
69.33047	1.8
71.01362	4.4
79.95736	1.0
80.96511	4.7
85.02940	2.3
87.00872	1.9
89.02468	1.7
93.03473	1.5
94.98112	1.1
95.01392	4.1
95.05010	11.0
96.96034	1.1
97.03012	0.9
99.00865	1.7
99.04494	1.4
101.02433	79.6
102.02769	1.4
102.31437	0.9
111.00866	31.5
113.02431	3.6
119.04987	2.0
121.02939	4.9
121.06611	1.1
123.04505	1.4
125.02428	6.7
127.03998	29.5
130.99945	1.0
135.04512	1.3
137.06053	6.5
139.00368	15.0
139.03976	11.7
143.03513	5.7
149.02423	1.9
153.01917	7.1
153.05557	1.1
161.04729	0.8
165.05472	1.4
171.02982	9.6
179.07188	1.1
180.09270	0.9
197.08275	0.9
223.06078	7.5
223.13341	1.1
225.00676	1.9
227.12988	1.0
236.02971	0.9
259.09717	35.7
260.10080	1.8
277.21689	12.6
278.22021	1.3
291.08704	100.0
291.23309	2.8
292.09003	6.2
292.75595	1.2
319.22760	1.8
361.12860	33.9
362.13214	3.4
385.11154	3.1
403.13760	1.2
455.35492	1.1
505.17056	5.0
506.17560	2.1
523.17877	1.4
647.39185	1.0
730.28210	1.1
740.38391	0.9
783.42090	8.0
784.40454	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	783.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39251	0.5
57.03419	0.5
58.31160	0.5
58.47575	0.6
59.01370	7.5
61.98814	3.1
63.23982	0.5
69.03466	0.6
69.36398	5.0
71.01381	2.7
78.95886	1.2
88.37966	0.5
89.02443	1.8
98.20676	1.3
101.02416	2.5
106.31905	0.6
113.02409	0.9
119.03523	0.8
133.13867	0.7
161.04546	1.6
167.14384	0.8
183.13892	5.5
193.12262	1.6
195.13934	4.0
195.56987	0.6
196.14366	0.9
207.30060	0.6
209.11789	1.6
211.13376	100.0
212.13750	5.8
223.13396	3.0
228.13708	0.9
235.08228	3.7
236.68758	0.6
253.09282	13.8
275.20139	4.3
293.21201	62.3
294.21558	6.1
337.84467	0.5
447.22302	10.1
448.22650	1.4
487.34335	1.1
529.30182	2.2
612.35785	0.6
670.51599	0.7
723.43335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.375
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	2.5
59.01369	3.9
61.75625	0.7
71.01375	1.7
71.61989	0.8
78.95920	0.7
81.03461	2.4
85.02944	0.7
89.02438	1.3
95.05000	1.9
99.04516	3.3
109.06624	1.1
110.09791	1.0
113.02474	0.9
115.82384	0.6
123.04485	1.2
128.10800	9.7
130.08728	100.0
131.09030	3.8
133.02925	1.7
135.04512	1.9
135.08180	1.8
154.08723	2.8
161.02411	5.1
172.09773	4.3
177.09172	1.7
179.03471	1.6
179.07202	0.9
207.13858	3.9
246.18608	1.3
251.12857	6.9
252.13271	0.9
290.17548	2.1
290.55682	0.7
308.18610	8.7
334.16589	2.6
352.17603	85.9
353.17944	9.5
431.19183	16.1
432.19611	1.5
524.06561	0.8
785.23004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.193
Annotation	CHEBI:75517
Peak:m/z	Relative Intensity
59.01374	9.3
63.98747	0.7
65.00294	0.8
70.07981	0.7
71.01371	6.7
71.62389	1.3
73.02942	1.1
74.91560	0.9
83.01394	0.9
85.02931	5.6
87.00854	2.9
89.02425	6.9
93.03429	2.9
96.95963	2.0
101.02422	3.8
109.02916	1.8
111.04485	1.0
113.02438	6.0
117.03429	1.3
119.03477	1.8
119.05027	1.6
121.02908	1.1
123.04475	2.8
125.02434	1.8
127.03976	1.8
131.07097	1.4
132.02122	2.2
133.02933	38.6
134.03612	1.2
135.04503	12.3
145.02910	1.1
149.02425	0.9
151.00397	1.0
153.05566	2.1
161.02425	72.2
162.02742	3.1
163.00334	1.1
163.03957	3.6
165.05542	1.7
173.04526	1.4
175.03908	2.5
177.01930	0.8
179.03433	3.0
191.05583	65.1
192.05904	4.7
223.06036	1.0
234.74208	0.8
253.05089	1.1
269.04373	1.1
283.14557	0.9
284.03201	5.0
285.03949	12.2
286.04279	1.1
297.03998	17.2
298.04749	12.1
299.05420	7.8
307.31363	1.0
309.04034	0.9
311.05536	3.3
325.03479	1.2
327.05054	47.3
328.05386	5.0
337.05392	1.0
337.09268	16.3
338.09500	2.9
339.05133	5.7
339.08752	1.3
357.06128	39.7
358.06381	3.4
369.06061	1.9
397.10892	1.1
426.92197	0.9
429.08041	3.0
447.09238	100.0
448.09583	13.4
461.16586	1.2
474.62881	1.1
551.18756	1.1
623.20801	8.3
624.21429	1.5
785.24908	30.5
786.24890	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	785.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75801	0.6
57.03442	0.6
59.01372	4.5
63.44133	0.5
65.78105	0.5
70.79817	0.5
71.01376	3.6
71.62814	0.7
72.99310	0.8
73.02931	0.5
85.02946	4.2
89.02428	3.2
95.01365	1.3
99.00907	0.7
101.02438	1.7
105.03458	0.5
109.02917	0.5
111.34871	0.5
113.02436	9.6
116.92880	0.5
117.03446	0.9
119.03504	0.5
119.04973	0.9
121.00164	0.5
121.02930	0.8
123.04517	1.9
132.02158	1.9
133.02946	37.7
134.03302	1.1
135.04507	13.3
136.04865	0.6
145.02930	1.3
145.30643	0.5
146.03676	0.8
147.04514	0.9
148.05328	1.2
153.05588	0.8
161.02425	100.0
162.02754	5.0
173.02379	0.7
174.03160	1.8
176.04733	0.8
179.03468	4.1
191.07118	0.6
193.04935	0.8
208.08855	0.6
214.06204	0.6
220.03740	0.8
223.07631	0.7
229.09534	0.5
233.06238	0.7
237.05499	1.0
239.07097	1.6
249.05487	0.5
250.06264	1.1
251.07242	2.6
253.87503	0.6
262.06238	1.1
263.07031	2.6
264.07892	1.8
265.08688	0.9
266.05814	0.7
267.06580	5.1
268.06830	0.8
277.05069	0.8
279.06613	6.1
279.10229	2.4
282.08972	4.9
290.05673	0.6
293.07956	0.7
294.05359	1.3
294.08917	5.3
295.05963	1.5
297.11328	1.4
308.06772	1.1
309.07483	2.1
310.08340	0.7
315.10928	0.9
322.08450	1.4
323.05515	4.6
323.09180	2.4
324.05789	0.6
326.07788	1.3
338.07922	6.3
341.10266	5.8
342.10419	1.0
353.10242	42.3
354.10571	4.2
371.11371	2.4
413.14478	3.1
461.16617	2.7
548.32941	0.7
586.82050	0.5
623.19629	16.8
624.19684	2.8
674.88794	0.6
678.17938	0.6
740.63892	0.7
755.25415	6.0
756.25134	1.1
767.25568	3.0
785.22974	34.0
786.23224	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	785.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17687	0.6
57.03452	0.9
59.01374	5.0
61.26855	0.5
61.58815	0.5
71.01379	4.5
71.61806	0.8
72.99301	0.6
85.02930	3.5
89.02442	2.1
95.01398	1.8
98.06638	0.6
99.00889	0.7
101.02431	1.3
105.03472	0.7
105.90130	0.6
113.02428	7.6
117.03456	1.0
118.28329	0.5
119.03480	0.6
120.96155	0.5
121.03016	0.6
123.04532	1.7
132.02145	2.3
133.02943	34.0
134.03352	1.4
135.04507	14.1
136.61307	0.5
147.04518	1.2
148.05309	1.0
161.02420	100.0
162.02783	5.1
163.65588	0.5
168.84085	0.6
173.02368	0.6
174.03207	1.1
177.74869	0.6
179.03430	3.9
183.26839	0.6
190.07568	0.6
191.07002	0.8
203.03383	0.5
232.83725	0.6
235.05940	0.7
237.05547	0.8
239.07062	1.1
249.05420	0.6
250.06131	0.9
251.07190	2.9
262.06293	0.9
263.07022	1.5
264.07886	1.3
265.08536	0.8
267.06738	5.1
279.06552	3.6
279.10156	2.0
282.08856	1.7
292.36441	0.6
294.05789	0.7
294.08945	4.0
295.06119	1.4
297.11246	0.8
304.45264	0.6
307.06281	0.6
308.06924	1.2
309.07571	1.3
310.08380	0.9
315.10779	0.7
322.08453	2.1
323.05518	3.8
323.09204	2.0
338.07828	5.9
339.08347	1.1
341.10175	5.8
353.10220	36.2
354.10602	4.0
371.11365	1.1
413.14340	2.0
461.16528	2.4
520.23413	0.7
623.19696	17.9
624.20081	2.3
674.85992	0.7
755.25244	4.9
756.25946	1.6
767.25232	1.8
785.22919	32.2
786.23248	8.5
797.99463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01374	2.7
61.76865	0.2
67.75645	0.2
71.01375	3.3
73.02952	0.3
77.03940	0.3
81.94544	0.2
85.02943	3.8
89.02438	2.0
89.03967	0.3
95.01385	1.4
98.20733	0.3
101.02415	1.0
105.03462	1.0
107.05039	0.5
109.02962	0.3
113.02436	8.6
114.02758	0.2
117.03450	0.8
119.03472	0.4
123.04514	1.0
127.05420	0.2
132.02155	2.3
133.02939	40.5
134.03624	1.2
135.04509	23.4
136.04839	1.0
136.28989	0.2
151.22949	0.2
153.05573	0.8
161.02423	100.0
162.02759	5.2
179.03465	6.1
180.03839	0.4
215.83060	0.2
229.82881	0.3
289.52121	0.2
297.09897	0.4
315.10800	1.3
461.16470	3.8
462.17340	0.3
623.19727	8.3
624.19904	1.2
713.24750	0.5
785.22839	45.8
786.23224	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	785.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52855	0.8
57.23077	0.7
59.01380	8.3
60.96623	0.8
61.98800	0.8
67.01882	1.2
69.25782	7.8
71.01381	12.0
73.02947	1.0
78.95885	0.9
79.95747	2.3
85.02940	14.5
89.02443	4.1
93.03447	5.2
95.01384	5.4
96.96003	57.1
101.02451	2.4
109.02937	16.4
113.02442	24.1
114.02831	0.8
117.03477	1.7
119.03479	1.2
119.05083	1.2
132.02150	2.3
133.02939	42.8
134.03812	1.3
135.04507	14.4
145.02928	15.0
147.04478	1.1
151.03998	0.8
153.09210	1.6
155.03442	0.7
159.04521	1.6
161.02426	100.0
161.05975	4.3
162.02768	4.2
173.04562	4.9
175.03992	2.9
179.03439	5.5
181.05000	1.0
187.03983	5.1
191.05562	4.4
201.01915	1.1
225.09167	6.3
237.05716	1.2
239.03419	3.7
240.04109	1.6
241.08768	0.9
243.10164	1.1
253.04984	2.2
255.06514	3.7
281.04556	9.1
282.04938	1.0
291.05069	1.7
297.07623	8.6
298.07782	1.0
305.04492	2.1
347.68069	0.9
381.82877	0.8
435.12900	1.2
445.16891	1.2
461.16647	7.8
477.13766	1.5
551.20935	4.2
581.18225	2.2
611.22858	1.9
623.19769	33.2
624.20062	6.5
655.16583	1.7
663.19257	2.3
713.24347	14.2
714.24414	2.9
741.23480	1.2
785.22614	39.5
786.23047	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	785.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03448	0.6
59.01370	4.3
70.09362	1.1
71.01370	6.2
74.39877	0.3
78.39516	0.3
81.26620	0.3
85.02937	7.5
89.02419	2.0
89.03963	0.3
95.01383	3.1
98.20650	0.3
99.00893	0.3
101.02429	1.4
105.03471	1.2
113.02435	12.2
114.02739	0.5
117.03445	1.1
119.03500	0.5
122.03703	0.8
123.04546	0.3
132.02145	2.9
132.73058	0.3
133.02940	42.5
134.03171	1.6
135.03476	0.4
135.04503	7.9
136.04816	0.3
139.70154	0.4
143.03485	0.4
161.02419	100.0
162.02754	5.6
179.03464	3.7
209.06102	0.7
213.09181	0.5
225.09174	7.6
226.09395	0.4
243.03006	0.4
243.10172	1.1
250.88083	0.3
257.03149	0.4
305.04471	0.4
405.15518	0.5
460.49057	0.3
551.21191	7.0
552.21851	1.1
623.19867	2.3
624.20325	0.5
677.80579	0.4
713.24414	20.4
714.24805	5.5
741.23846	0.9
785.22797	15.5
786.23206	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	785.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.66880	0.3
59.01375	4.2
69.36213	2.9
71.01373	5.5
73.02932	0.5
85.02937	5.4
87.00877	0.4
89.02449	2.6
95.01357	1.9
98.20599	0.5
101.02426	1.1
105.03443	0.7
113.02441	10.9
117.03442	0.9
121.02892	0.3
123.04502	1.6
132.02159	2.6
133.02939	33.1
134.03331	1.3
135.04509	14.8
136.04822	1.0
153.05553	1.1
160.01653	0.5
161.02422	100.0
162.02744	5.4
162.48903	0.3
164.44952	0.4
179.03481	3.3
191.05545	0.4
274.33408	0.4
315.10803	1.0
447.56058	0.4
461.16617	4.0
623.19714	42.4
624.20245	7.9
785.24963	20.6
785.39557	0.8
786.25287	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	785.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
56.77913	0.4
59.01373	6.7
67.01900	1.1
68.99803	0.6
69.03480	0.6
69.39791	1.0
69.40199	3.0
70.03090	0.5
71.01369	8.1
72.99308	1.0
73.02940	1.0
85.02945	8.0
87.00891	0.5
88.98800	0.5
89.02440	6.0
93.03443	1.8
95.01370	2.8
95.05027	0.7
96.96015	1.4
97.02901	0.5
99.00890	0.6
101.02428	3.5
105.03453	0.7
107.93887	0.5
109.02956	0.7
111.08150	0.6
113.02437	14.7
114.02777	0.6
117.03468	1.4
119.03503	1.1
121.02974	0.6
123.04498	2.1
125.02455	0.6
128.67293	0.5
132.02171	2.0
133.02940	34.6
134.03796	2.3
135.04510	25.1
136.04877	0.8
136.07683	1.3
137.02402	0.6
145.02971	0.5
147.04495	12.8
149.02370	0.7
150.03204	2.2
153.05556	1.6
157.08600	0.8
160.01625	1.9
161.02426	100.0
162.02754	5.5
163.03934	0.6
165.05550	2.2
173.04520	2.9
175.04005	1.2
179.03467	6.7
180.03922	0.7
183.10153	0.5
191.05574	1.3
193.05048	2.0
205.01317	0.7
223.06078	0.6
245.04395	0.6
251.05542	0.7
271.02448	0.9
297.09772	0.7
300.02701	2.1
301.03375	0.8
315.10797	2.1
319.13959	2.4
320.14203	0.8
321.09641	3.3
325.11386	0.5
331.13947	0.6
333.15469	1.1
357.15448	0.9
363.49854	0.5
461.16644	5.5
463.08774	3.7
551.17975	0.7
591.19476	0.9
609.20746	2.3
623.19751	37.2
624.20050	6.6
785.24939	29.2
785.46350	0.7
786.25098	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	785.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.3
67.49760	0.5
69.38188	4.5
69.38525	0.8
71.01373	5.0
84.25560	0.6
85.02928	5.0
86.17164	0.5
89.02429	2.0
95.01394	2.5
100.64191	0.5
101.02451	1.3
105.03454	0.7
113.02431	14.8
114.02736	0.7
117.03468	1.0
119.03551	0.6
123.04492	1.3
132.02158	2.8
133.02945	40.7
134.03241	1.5
135.04510	16.5
153.05577	1.8
161.02425	100.0
162.02760	5.1
176.07144	2.6
179.03416	3.4
220.06097	7.3
260.53659	0.6
289.58865	0.5
306.09805	1.8
315.10822	1.2
362.63211	0.6
461.16641	6.3
598.01318	0.6
616.87054	0.6
623.19757	31.9
624.20282	5.6
726.60272	0.7
785.25031	27.2
786.25171	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	785.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01374	4.1
71.01375	6.3
71.18060	0.9
85.02937	5.9
89.02431	3.2
95.01382	2.6
99.00896	0.4
101.02450	0.8
105.03434	1.0
109.02981	0.5
113.02431	15.6
117.03455	1.1
119.03495	0.6
122.97330	0.4
123.04523	1.7
124.64311	0.4
131.07104	1.0
132.02145	2.8
132.26636	0.4
133.02937	36.4
134.03343	0.9
135.04506	18.3
153.05539	1.5
160.01685	0.5
161.02419	100.0
162.02768	4.9
179.03471	5.1
191.05678	0.5
233.04710	0.5
251.28798	0.4
261.20068	0.4
315.10928	2.1
461.16507	6.7
462.16794	0.8
532.79901	0.4
623.19720	29.4
624.19946	3.6
709.15656	0.5
714.13312	0.5
755.06921	0.4
785.24957	30.3
786.25031	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	785.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01368	5.5
63.43454	0.5
67.00147	0.6
67.01881	4.3
68.48326	0.6
69.03439	1.3
69.35615	1.1
69.36023	4.0
71.01390	4.7
81.03446	1.6
83.05017	1.2
85.02937	7.4
87.00275	0.5
87.00854	1.7
89.02438	1.6
93.03445	25.8
95.01364	0.7
95.05009	0.8
96.96002	1.5
98.19936	1.4
99.04510	2.7
101.02443	1.4
107.04990	0.8
109.02947	0.9
111.00844	1.1
111.04520	5.2
113.02432	1.5
114.19765	0.6
119.03497	1.2
124.41953	0.6
127.03986	2.4
133.02914	3.2
134.03751	4.0
135.04510	66.5
136.04831	2.6
137.02443	6.4
140.10046	0.6
155.03499	4.7
161.02412	9.9
171.02982	0.8
173.04526	100.0
174.04895	2.8
179.03474	63.5
180.03831	3.0
191.05586	73.8
192.05943	2.6
193.05029	1.0
206.74434	0.6
311.95175	0.6
323.13464	4.9
351.06934	0.6
353.08725	90.0
354.09058	8.4
519.00610	0.7
623.20135	0.8
785.24854	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	786.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44744	0.3
57.03442	0.5
59.01373	5.0
59.88264	0.3
61.98824	1.0
70.93015	0.6
71.01378	5.7
72.99292	0.6
73.02953	0.4
74.08681	0.3
76.96708	0.4
77.03992	0.4
85.02937	5.8
87.00892	0.3
89.02435	2.5
89.03965	0.5
92.52850	0.3
93.03456	1.5
95.01383	1.5
95.05034	0.5
96.95984	0.5
101.02415	1.7
102.70603	0.3
105.03447	1.0
113.02438	11.2
115.01910	0.4
117.03439	1.4
119.03457	0.9
123.04559	0.6
132.02167	2.6
133.02940	45.4
134.03796	3.2
135.04507	9.8
147.04427	0.5
148.03992	0.5
149.04788	0.7
161.02419	100.0
162.02763	4.8
164.07182	1.0
179.03465	6.0
193.05103	0.4
208.09689	0.5
247.09894	0.5
265.07458	0.4
331.00198	0.3
344.13480	0.5
490.19229	1.2
606.21832	0.9
623.19592	0.6
624.22791	8.9
625.23254	1.1
651.21875	0.6
652.22351	31.3
653.22644	5.3
768.24988	10.2
769.25372	2.5
786.25854	8.9
787.26532	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	786.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	0.2
61.98824	100.0
68.68036	0.2
71.01392	0.7
71.62431	0.2
85.02969	0.3
93.74430	0.2
98.85131	0.2
113.02450	0.7
114.74258	0.2
133.36005	0.2
135.04489	1.0
165.05542	0.6
187.56139	0.2
191.10675	0.2
279.23389	0.7
295.92007	0.2
461.16684	0.2
723.39581	4.2
724.40259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16615	0.1
59.01393	0.2
61.98822	100.0
62.98523	0.2
69.69981	0.3
69.70387	0.6
72.32330	0.1
78.95933	0.2
111.47700	0.1
161.02390	0.2
211.13414	0.3
212.13814	0.2
277.21667	0.3
294.21683	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.6
63.41900	0.5
68.16724	0.4
69.03446	4.6
69.26114	4.9
70.89181	0.5
71.01385	1.8
81.03458	0.7
81.66292	0.5
83.05011	0.9
85.02960	0.7
89.02447	0.9
93.03445	4.3
95.05012	1.0
101.02458	0.9
108.77312	0.4
111.04510	2.5
113.02393	0.7
117.03469	1.0
119.05000	0.7
121.02934	9.4
121.06567	1.6
122.03354	0.4
127.03949	0.6
132.02179	0.8
134.03714	0.9
135.04514	0.7
147.04498	3.8
149.02422	62.8
150.02779	2.4
155.03487	2.9
161.02519	0.8
163.04037	0.9
164.04770	51.9
165.05078	2.6
170.94865	0.5
173.04514	10.4
174.04846	0.7
176.48456	0.5
179.07115	3.3
191.05559	6.2
193.05070	1.0
209.04469	0.7
223.06075	100.0
224.06415	6.0
262.75732	0.5
345.11703	0.7
346.30469	0.5
389.10764	6.3
390.11160	0.7
397.11313	49.0
398.11728	5.1
787.24622	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	787.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01378	0.8
60.99284	0.2
67.01881	0.4
67.92867	0.1
69.03443	0.2
69.80779	0.4
69.81191	0.3
70.50304	0.1
71.01366	0.9
73.02933	0.3
81.03425	0.2
83.05025	0.3
85.02940	6.7
85.84277	0.1
87.00864	1.6
89.02464	0.1
93.03447	3.2
96.95988	0.3
98.19875	0.3
99.00842	0.1
99.04494	0.3
101.02396	0.2
108.02160	0.1
109.02898	0.8
111.04499	1.0
113.02436	0.2
127.03999	1.7
130.29947	0.1
130.52890	0.1
133.02922	0.8
134.03699	0.2
135.04509	2.8
137.02451	0.3
155.03493	0.3
160.04053	0.3
161.02405	1.7
171.02933	0.3
173.04529	3.1
177.01942	0.1
179.03465	2.1
180.03702	0.2
186.21115	0.1
191.05583	100.0
192.05930	3.9
351.06909	0.2
352.07706	0.1
353.08722	15.8
354.08978	1.5
628.59937	0.1
717.61676	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
57.03434	0.5
58.00582	0.7
58.13264	0.4
59.01375	34.5
60.01699	0.9
69.65536	3.1
69.65917	0.6
69.66559	0.4
71.01376	21.6
72.01752	0.5
72.99300	1.1
73.02941	25.0
74.03283	0.6
81.46003	0.5
83.01384	6.4
85.02937	3.9
87.00861	1.5
89.02428	11.2
93.71030	0.5
95.01385	1.1
97.02910	0.6
99.00863	0.8
101.02431	19.3
102.02798	0.6
107.04996	0.8
113.02438	8.8
119.03503	4.3
119.05001	5.6
123.04554	1.0
125.02470	0.7
131.03470	1.4
134.03737	0.6
134.42778	0.5
135.04510	40.9
135.69005	0.5
136.04839	1.9
139.25996	0.5
143.03502	1.3
145.02951	0.8
149.04561	1.2
153.05539	1.9
156.17358	0.5
161.04535	2.9
163.03986	4.5
171.21898	0.5
175.03992	0.5
179.05609	0.5
221.24490	0.5
281.10248	0.9
297.09723	9.9
298.10004	0.6
315.10825	25.7
316.11121	2.0
325.09171	1.3
341.12329	1.6
342.12491	0.6
357.11856	100.0
358.12161	10.1
461.16931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32453	0.9
57.03425	1.5
59.01376	14.8
61.98804	3.5
62.83601	0.8
69.03436	1.8
71.01373	16.3
71.62716	1.0
71.63081	1.0
72.99287	1.7
73.02911	1.2
77.79859	1.0
81.03425	0.9
85.02514	0.9
85.02950	13.7
87.00858	1.8
89.02423	11.4
89.03907	0.8
93.03417	2.7
95.01395	4.0
95.05000	0.9
96.95969	3.8
97.02886	1.0
99.00860	1.6
101.01883	0.7
101.02434	6.2
105.03384	0.8
107.04986	2.4
109.02924	1.2
110.84146	0.8
113.02438	30.0
117.02732	1.3
117.03457	14.1
118.03799	1.1
119.03432	3.3
119.04237	1.4
119.05013	24.9
120.05282	1.3
121.02898	2.7
122.20383	0.7
123.04470	3.8
125.02403	0.8
132.02092	1.9
133.02942	28.4
134.03763	9.2
135.04510	100.0
136.04837	4.4
137.02402	1.0
145.02934	40.2
147.04434	2.5
149.02446	1.5
150.03157	1.1
151.03888	0.9
153.05510	3.2
160.01576	3.8
161.02420	77.4
161.04559	3.5
162.02788	5.0
163.03972	8.4
165.05406	1.2
168.60051	0.9
169.08699	1.1
173.04491	1.5
174.03142	2.2
175.03958	9.7
178.02733	1.0
179.03404	18.8
179.05490	3.3
180.03864	1.3
187.38660	0.8
191.05556	1.0
193.04982	1.7
206.02068	0.9
213.07353	0.9
223.06035	3.2
231.65280	0.9
264.93420	0.9
274.86441	0.9
281.08145	5.1
285.03836	0.9
297.09732	1.1
315.10776	3.2
325.06628	1.1
368.41800	1.0
403.12384	7.7
444.97101	0.9
461.16644	7.0
607.20032	8.5
623.19574	8.6
624.19586	1.5
625.21228	20.0
626.21564	4.0
641.20886	10.5
642.20593	2.5
709.19641	1.0
725.22723	1.6
743.24750	2.0
769.23083	9.0
770.22784	1.8
787.24194	45.4
788.24426	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	787.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.8
57.89383	0.6
59.01369	15.2
61.98836	2.9
69.03467	2.5
69.42784	2.1
69.43213	2.8
71.01369	18.2
72.99316	1.2
73.02968	1.6
83.01383	1.0
84.44379	0.7
85.02941	15.8
87.00883	0.9
88.98799	1.6
89.02433	10.1
89.03974	0.7
91.05524	0.9
93.03464	1.8
95.01377	5.2
95.05033	0.8
96.96004	3.8
98.95615	0.8
101.02445	5.6
102.18886	0.7
105.03461	1.2
107.05035	2.9
108.02189	0.8
109.02948	1.5
113.02433	35.6
114.02775	0.9
114.55096	0.6
117.03451	10.0
118.03787	0.8
119.03511	3.2
119.05011	30.9
120.05340	1.3
121.02960	2.3
123.04547	5.1
125.02455	0.8
127.04042	0.7
132.02199	1.8
133.02937	42.5
134.03786	7.2
135.04507	76.8
136.04799	3.6
137.02446	1.5
143.03537	1.3
145.02936	26.2
146.03333	0.7
147.04495	2.6
149.02434	1.3
149.06044	1.0
150.03218	1.9
150.04922	0.6
153.05577	3.3
160.01643	2.6
161.02422	100.0
161.04582	2.8
162.02750	6.5
163.03967	8.9
165.05537	2.2
169.08682	1.5
173.04509	1.8
174.03181	2.0
174.04677	0.7
175.03946	7.4
178.02744	1.2
179.03456	17.8
179.05537	1.7
180.03879	1.0
187.11261	1.1
191.05489	1.6
193.05023	2.2
195.06598	1.3
203.60864	0.8
213.07635	1.3
223.06133	1.6
247.05969	0.7
251.05643	0.8
252.98421	0.6
255.10117	0.6
263.64365	0.7
281.08121	3.1
297.09839	1.4
315.10757	2.3
323.05453	1.6
324.06058	0.8
325.06784	1.0
331.13852	1.2
375.12854	1.0
403.12448	3.7
461.16586	6.5
462.17102	0.8
513.85956	0.7
563.24994	1.7
607.19904	5.8
608.20770	0.9
623.19678	9.4
624.20026	1.6
625.21246	36.6
626.21320	5.6
641.20801	8.0
642.20605	1.4
725.22302	1.6
743.23975	1.8
769.23248	11.7
770.22803	2.4
787.24048	38.4
788.24457	10.1
794.98846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02954	0.5
59.01369	0.6
66.12074	0.3
69.76437	1.8
71.01370	1.2
73.02905	0.6
75.00865	0.6
84.45550	0.3
85.02914	0.7
85.66917	0.3
87.00842	0.7
89.02428	0.4
93.03442	0.6
99.82095	0.3
101.02406	0.8
108.02236	0.3
109.02962	0.6
113.02442	0.6
121.02934	3.9
133.02911	0.6
134.03719	1.1
135.04532	2.5
137.02480	0.6
147.04506	0.6
149.02425	28.5
150.02766	1.1
151.00307	0.4
151.03931	0.6
152.01140	5.8
161.02423	1.2
161.04547	1.0
163.03992	4.4
164.04771	24.0
164.07010	0.7
165.01883	1.2
165.05138	1.0
167.03450	0.8
169.05042	2.5
173.04436	0.5
179.03494	0.4
179.07104	8.5
180.04179	0.5
180.07466	0.7
184.06006	0.3
191.05577	0.6
193.01392	12.0
193.04970	0.4
194.01744	0.7
205.05214	0.4
206.08231	1.6
208.03734	37.1
209.04042	1.7
223.06081	100.0
224.06425	5.9
231.57784	0.3
254.08606	0.3
292.96924	0.3
305.95764	0.3
385.11322	29.0
386.11725	2.5
401.14609	2.5
410.07996	0.3
787.24982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
58.00610	1.9
59.01372	36.5
60.99322	0.5
61.98822	7.9
71.01373	24.6
71.62805	0.9
72.01681	0.7
72.99315	1.6
73.02959	1.5
80.96513	0.6
83.01390	1.6
83.97295	0.5
85.02932	6.1
87.00885	1.9
88.98791	3.2
89.02431	34.6
89.70064	0.6
93.03445	4.9
95.01390	1.7
96.95990	3.6
97.02962	0.8
99.00880	0.6
101.02425	13.6
101.03075	0.9
105.03480	0.7
108.02205	0.8
113.02435	13.0
116.92774	0.8
119.03484	13.6
121.02951	6.5
122.03730	15.6
123.04568	1.3
125.02443	0.8
130.24519	0.6
131.03465	1.7
132.02141	0.9
133.02950	3.6
134.03732	9.9
135.04532	2.8
136.01639	2.3
137.02408	1.2
143.03496	3.5
149.02428	22.4
149.04449	1.5
149.06084	2.2
150.03203	100.0
151.03636	3.5
160.01622	1.5
161.02420	4.4
161.04517	5.9
163.03987	0.6
164.04802	4.2
165.05542	95.4
166.05876	4.5
173.04559	1.2
175.03905	1.5
178.02669	2.0
179.03375	1.3
179.03772	1.1
179.05582	17.3
179.07167	1.0
180.04292	5.3
180.05821	1.0
181.04968	1.1
191.05505	1.0
193.05016	9.9
195.06589	68.5
196.06918	4.5
205.04961	0.8
223.06035	1.1
233.86137	0.7
269.04489	1.8
270.04764	1.4
285.03854	2.3
323.08997	0.8
339.08530	1.8
341.10126	2.5
351.12100	0.9
354.11057	1.4
369.13333	6.9
389.12357	9.2
390.12634	1.2
411.14444	1.1
517.18494	5.0
518.18604	1.0
531.18616	29.4
532.19086	4.3
591.20233	2.0
679.23114	1.9
727.25323	2.9
787.28101	1.2
787.48010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
56.49596	0.5
57.03446	1.3
58.00595	1.8
59.01373	59.5
61.98816	3.1
69.26232	3.0
69.26666	2.7
71.01376	35.2
72.99310	1.9
73.02937	5.3
83.01404	2.3
85.02944	11.6
87.00885	2.1
89.02432	33.9
90.02774	0.5
93.03463	5.2
93.57786	0.5
95.01392	2.5
95.05019	0.6
96.95959	2.7
99.00879	2.1
101.02438	19.6
102.02833	0.6
103.27092	0.5
103.92273	0.5
105.57269	0.5
108.02177	0.7
113.02442	15.2
114.14017	0.5
119.03486	13.9
120.03886	0.6
121.02943	8.0
121.03727	0.8
122.03735	15.1
123.04577	0.9
125.02477	0.6
131.03471	1.3
132.02161	0.8
133.02946	2.0
134.03735	1.6
135.04530	2.0
136.01645	1.8
137.02415	0.6
143.03479	3.2
149.02426	32.3
149.04529	1.7
149.06050	1.0
150.03207	100.0
151.03535	4.7
152.54472	0.5
153.05547	0.8
153.09219	1.0
159.02986	1.0
161.02422	2.1
161.04532	9.0
163.03976	0.7
164.04793	6.3
165.05550	90.8
166.05875	4.8
173.04546	0.5
175.03957	1.0
179.05586	15.6
179.07135	1.2
180.04277	6.2
180.05811	0.8
191.05644	1.0
193.05096	1.5
195.06596	60.2
196.06950	3.9
201.15681	0.5
207.06609	0.9
210.47336	0.7
215.09238	1.7
297.11411	0.6
311.09091	0.7
323.09210	1.2
323.12744	1.3
332.72690	0.6
337.10651	1.3
338.11572	1.1
339.08603	2.2
340.09311	1.1
353.13882	1.2
354.10950	1.6
355.11755	1.0
369.13272	8.3
408.03833	0.6
411.14627	1.0
499.86636	0.6
502.15973	1.3
516.15948	0.6
517.18616	30.9
518.18787	5.5
531.18671	31.4
532.19019	4.9
577.20544	1.2
595.14020	0.8
679.23877	10.6
680.24115	2.3
697.24841	0.8
727.26050	5.2
728.26385	1.7
739.26166	2.6
787.28687	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	787.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.56609	0.8
57.03442	1.1
58.00578	2.2
59.01371	42.1
61.98822	1.1
66.33344	0.9
68.99815	4.7
69.03440	2.5
71.00990	1.4
71.01373	25.7
72.99295	2.5
73.02936	2.2
79.05508	0.8
83.01379	5.4
85.02938	9.7
87.00872	1.7
89.02427	19.6
93.03450	6.2
95.01375	2.2
95.05022	1.8
96.96017	1.9
98.19891	2.2
99.00872	2.2
99.04491	1.4
101.02428	15.9
107.04999	1.4
108.02076	0.9
111.00835	1.4
111.04507	1.0
113.02432	13.2
118.29294	0.8
119.03468	6.4
120.05816	1.0
121.02934	5.8
122.03728	6.8
122.76797	1.0
123.04529	2.0
125.02472	1.2
131.03387	0.9
133.02943	3.8
134.03697	1.0
135.04520	6.9
137.02422	1.1
143.03488	1.7
145.42778	0.8
146.03699	6.8
149.02386	2.5
150.03214	54.3
151.03902	4.0
153.01895	1.0
153.05490	2.2
153.09201	1.5
157.06564	1.2
159.04482	1.7
160.01492	1.1
161.02441	8.4
161.04495	2.6
161.05998	1.9
161.09641	1.1
161.13333	4.9
162.02882	1.3
164.04735	5.7
165.05547	100.0
166.05843	5.4
169.10286	1.1
172.64275	0.9
173.04494	3.3
174.03200	2.6
175.03938	3.3
179.03474	2.7
179.05554	5.2
179.07117	11.0
180.07401	1.4
181.05035	1.0
187.03963	5.5
187.11255	15.1
188.11559	1.4
190.44954	0.9
205.12370	5.0
213.07657	12.1
214.08032	1.0
223.05997	5.3
229.12248	1.6
231.10204	2.5
245.91313	0.9
249.11263	3.7
273.11176	1.9
281.08072	4.4
283.08405	1.2
315.07162	2.7
315.12222	0.9
325.07336	0.9
333.13611	0.9
349.16348	2.0
385.11301	7.9
393.15390	3.8
403.12094	2.1
425.58569	0.9
458.10428	1.1
463.16315	2.4
495.14859	3.2
547.16553	2.7
565.18561	2.0
607.23950	54.5
608.24298	10.6
743.25812	2.2
787.30487	30.0
788.30988	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	787.302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.7
59.01374	62.5
61.98822	7.9
62.80217	1.9
64.70930	1.6
71.01375	36.8
72.99293	4.2
73.02936	3.1
73.16570	1.7
83.01374	3.8
85.02914	8.8
89.02435	28.0
95.01357	3.6
96.28687	1.5
96.95992	6.4
98.19862	3.2
99.04506	38.6
101.02429	17.6
111.04533	2.8
113.02444	16.8
117.03445	5.1
119.03513	9.2
119.05022	3.9
121.02985	4.0
132.02170	4.5
133.02933	10.2
134.03729	67.1
135.04561	17.4
137.02420	3.9
145.02953	3.2
147.04518	11.8
148.05293	9.1
149.06093	15.1
158.03755	3.2
160.01643	24.8
161.02388	11.1
162.03047	1.8
163.03981	4.2
163.07639	3.2
164.04724	3.7
165.05562	2.5
174.03174	2.5
175.03973	35.6
176.04764	36.3
177.01898	8.0
177.05426	2.9
178.02634	8.2
179.03418	5.5
189.12819	11.0
191.05447	4.0
191.07118	42.9
192.04260	4.0
193.05034	70.9
194.05415	4.5
207.06543	11.2
207.13882	51.6
208.14200	3.1
220.03665	8.2
233.11737	2.7
235.06078	69.0
236.06396	3.6
251.12845	100.0
252.13194	7.4
265.07129	15.1
267.06369	2.7
269.04446	4.0
279.06616	4.0
282.09195	2.1
295.08212	23.9
308.06995	1.6
323.05450	4.1
323.09207	1.9
341.10144	3.0
353.10208	25.7
354.10266	2.3
355.10275	19.5
371.11380	1.9
387.20386	2.0
431.19110	86.7
432.19666	8.2
561.24213	1.9
607.23859	70.1
608.24512	12.1
611.25671	7.4
671.05438	2.8
729.38696	2.0
769.22675	2.8
787.30255	95.4
788.30621	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	3.0
59.01371	87.6
61.98818	2.5
67.01897	2.3
69.03449	81.8
69.58527	5.0
69.58929	10.2
71.01379	60.6
72.69964	2.0
72.99280	4.6
73.02930	3.8
80.18166	2.3
81.03458	4.4
83.01394	3.7
85.02949	18.7
85.07994	2.2
87.00858	11.7
89.02435	35.8
93.03435	16.7
95.01376	5.1
95.05029	7.3
99.00862	4.5
99.04523	13.1
101.02428	23.5
107.04352	4.5
107.05021	47.0
111.04503	4.9
113.02437	57.7
117.03467	2.5
119.03500	12.2
119.05014	7.3
121.02921	3.3
123.04493	3.2
125.06068	21.4
127.51027	2.1
133.02943	37.2
133.06564	6.4
134.03741	2.6
135.04517	26.9
145.02939	6.6
149.02463	3.0
150.03160	3.4
151.07637	20.5
153.05577	5.7
154.31441	2.5
155.10739	11.8
161.02425	100.0
161.04524	5.6
161.13336	8.9
162.02724	7.5
164.04724	2.4
169.08710	19.1
173.04591	12.1
175.03969	8.3
179.03514	10.5
179.05635	3.5
179.07094	3.3
185.13373	3.9
187.11269	35.9
188.11635	2.7
193.05046	2.2
195.06625	5.1
199.09764	5.0
203.14310	2.5
205.12389	11.0
213.07654	49.6
225.17751	2.2
229.12297	5.4
247.13397	3.6
249.11372	5.0
285.91260	3.1
330.97797	2.3
357.11908	10.3
375.12885	49.0
376.13098	3.6
383.18787	3.7
411.16541	3.9
563.24902	46.3
564.25439	7.1
607.24005	52.1
608.24152	9.4
613.24951	6.5
623.19708	19.9
624.20355	3.7
625.19885	3.2
769.23456	8.1
787.30847	94.9
788.31311	22.6
817.79913	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	787.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
58.00573	3.5
59.01373	65.2
61.98817	9.8
62.36311	1.7
68.99785	2.0
71.01379	36.9
72.99306	2.9
85.02934	10.5
87.00877	2.4
89.02430	30.0
95.01376	3.6
96.95992	4.5
99.04512	36.2
101.02439	12.9
111.04492	2.9
113.02428	12.7
117.03482	5.2
119.03489	7.3
121.06544	1.9
123.04471	2.1
124.01677	3.2
132.02139	2.8
133.02924	10.6
134.03732	60.5
135.04546	13.0
137.02455	4.8
145.02988	3.2
147.04506	12.8
148.05310	10.4
149.02367	2.7
149.06068	13.5
153.05624	2.4
155.22560	2.7
158.03725	3.9
160.01666	25.5
161.02422	10.2
163.04039	3.0
164.04639	1.9
173.06035	3.4
174.03160	2.8
175.03983	33.3
176.04774	32.9
177.01897	4.5
177.05331	2.5
178.02699	8.7
179.03482	5.6
189.12852	8.5
191.07127	44.2
192.04176	4.5
192.07465	2.2
193.05048	69.1
194.05396	4.4
207.06598	14.0
207.13884	55.2
208.14186	2.9
220.03716	7.6
235.06088	71.3
236.06406	4.8
251.12845	100.0
252.13162	6.8
265.07138	19.9
267.06592	3.0
269.04523	5.3
279.06458	2.4
295.08163	27.4
338.08005	2.8
341.10168	4.2
353.10223	19.0
354.10449	3.2
355.10345	19.2
425.81052	2.2
431.19168	84.0
432.19629	7.6
563.25098	2.2
576.13922	2.1
607.23840	75.8
608.24078	12.8
611.25452	6.4
612.25897	2.6
625.23621	2.3
757.24738	2.3
787.30316	88.2
788.30634	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01376	7.4
67.01879	8.2
67.14226	0.5
68.99806	27.2
69.03100	0.7
69.03448	7.8
70.36933	0.5
71.01376	4.5
85.02921	0.6
87.00859	0.9
89.02425	4.2
93.03439	0.9
95.01351	2.3
95.05016	7.2
97.02930	1.3
101.02430	59.0
102.02750	1.7
105.07080	0.7
108.05797	1.6
109.02934	0.7
109.06593	0.7
111.00867	21.6
111.04486	2.1
113.02407	1.1
113.06047	1.8
113.13131	0.6
119.03500	1.1
119.08635	1.0
121.02929	2.6
121.06554	2.0
122.03751	3.1
123.04523	1.0
123.08127	1.6
124.05247	0.5
125.02419	3.2
125.06083	3.6
127.03999	21.2
135.04483	0.9
135.08130	0.7
136.05281	2.5
137.06073	5.6
138.06857	5.0
138.37883	0.5
139.00343	9.8
139.03014	0.8
139.04001	9.9
139.07632	5.9
140.08020	0.5
143.03448	2.8
146.19638	0.6
148.05252	1.2
149.02406	2.3
149.06070	0.5
151.07634	13.7
152.04767	1.1
152.08421	6.3
153.01909	4.2
153.05551	0.6
153.09131	2.0
159.11871	0.5
161.02330	0.7
161.09705	1.5
163.07597	2.5
165.05502	1.5
167.07086	1.3
171.02968	8.7
179.05505	0.9
185.09691	0.5
197.08057	0.6
201.12837	3.7
203.10687	3.2
204.11536	9.4
218.98526	1.2
219.13869	11.9
220.14154	1.0
223.06110	3.3
228.09641	0.5
259.09702	30.2
260.10007	2.1
263.12820	8.7
291.08698	80.6
292.09079	6.4
323.31042	0.6
329.10214	0.7
361.12863	100.0
362.13181	12.9
403.12399	1.2
523.18103	25.9
524.18610	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	45.1
60.01700	0.7
66.39548	0.5
69.03427	1.1
70.03538	0.5
71.01373	13.8
71.61490	0.9
72.24935	0.5
72.99296	1.4
73.02937	1.6
83.01366	0.8
85.02930	2.9
87.00874	1.6
89.02432	13.8
93.03442	0.7
95.01389	1.1
101.02428	10.6
113.02448	5.5
119.03493	5.6
119.04983	0.9
121.02963	0.9
124.01521	0.7
130.79080	0.5
135.04503	1.0
137.06070	4.6
138.06367	0.7
148.46214	0.6
161.02420	1.7
163.11264	4.1
163.18292	0.6
165.05557	0.6
167.02069	2.2
173.04504	1.1
179.03406	1.1
179.05577	1.7
191.05609	1.6
193.05000	0.9
207.10236	8.1
208.10640	0.7
223.06094	2.3
225.11235	1.1
237.55440	0.7
341.12320	1.1
387.16544	100.0
388.16833	12.0
403.12482	1.6
404.12814	0.6
536.23944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.7
59.01372	17.0
61.98818	7.3
64.15244	0.5
71.01373	9.5
83.01379	0.9
83.05016	0.8
85.02949	2.2
87.00877	0.9
87.45023	0.5
88.98811	0.7
89.02434	9.2
93.03445	1.9
95.01395	0.7
96.96000	2.4
97.41737	0.5
99.04532	2.2
101.02412	6.4
107.05077	0.9
111.00879	0.6
111.04527	0.8
113.02422	3.9
117.03438	0.5
119.03515	4.1
125.09595	0.6
133.02940	1.2
134.03694	1.5
135.04562	3.2
135.08119	0.9
137.02475	0.8
150.03227	0.7
153.09193	100.0
154.09549	3.8
161.02422	2.6
161.13319	4.4
165.05602	0.7
167.07834	0.5
173.04485	1.3
179.03435	1.7
179.05605	1.9
179.07039	0.7
184.79416	0.6
185.13316	1.8
187.11263	11.0
191.05586	0.7
193.05008	1.5
195.06540	0.7
197.08167	55.7
198.08475	3.1
201.12791	0.7
203.14439	0.9
205.12297	10.2
223.06087	0.6
229.12289	3.9
231.10262	0.8
247.13315	1.3
249.11301	7.1
273.11328	0.8
285.04028	3.6
291.12271	2.6
339.93396	0.6
351.14587	2.8
369.13412	0.7
385.18643	1.3
411.16534	4.4
412.16632	0.7
429.17535	10.3
430.18036	1.0
447.42416	0.7
471.18491	1.8
501.19547	3.2
502.21054	0.8
531.20782	23.1
532.21240	3.1
591.22864	28.6
592.23340	4.5
609.25562	2.7
610.23578	0.8
627.17169	0.9
789.31738	32.4
790.31592	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	789.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	87.5
60.14376	1.0
61.98820	2.9
62.13663	1.0
68.99560	22.5
70.16485	3.7
71.01376	12.3
73.02940	2.4
85.02940	3.8
93.03465	2.9
93.89535	0.9
96.95991	4.2
98.19886	1.1
98.95591	1.1
99.00861	1.1
101.02406	3.8
112.98553	18.8
113.02419	5.0
121.02941	40.7
122.03266	1.1
125.02378	1.5
133.02924	4.2
134.03712	3.1
135.04503	18.4
136.01651	2.1
137.02431	1.1
141.69623	0.9
143.03441	2.2
151.04007	2.1
155.59679	1.0
159.02989	1.2
161.02475	8.2
161.04521	11.2
163.03958	1.6
179.03465	10.9
183.13873	4.9
195.13869	3.7
213.14919	77.0
214.15259	4.3
227.16463	2.0
237.14905	2.2
240.77103	1.0
249.14848	2.1
255.15913	3.0
309.17062	2.9
356.12558	67.0
357.12976	7.0
371.14929	100.0
372.15295	10.4
555.18671	1.1
663.33594	1.1
675.30029	18.2
676.30505	3.4
789.44904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.6
59.01373	85.2
59.53651	0.7
60.01686	1.1
67.51401	0.8
67.58768	0.6
68.99798	1.0
71.05030	1.7
72.25021	0.7
83.05019	1.2
87.00847	2.2
87.69348	0.6
101.02441	2.2
120.26716	0.7
135.04526	1.0
153.12233	0.7
161.02483	1.4
161.13324	2.8
163.11253	1.7
177.79968	0.7
187.11241	0.9
205.12183	0.8
207.10257	3.3
223.13353	53.9
224.13686	3.5
267.12326	100.0
268.12640	9.4
291.09024	1.4
361.12796	1.5
695.88519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.0
59.01371	82.0
69.48204	3.4
69.48638	2.7
71.05027	1.5
78.33234	0.9
83.05021	1.3
87.00861	1.9
98.19913	1.7
101.02435	2.0
104.38957	0.8
127.04019	0.9
133.02936	1.1
149.09219	0.9
158.06334	1.0
161.02441	1.8
161.13326	2.6
163.11292	1.2
179.03421	1.3
182.26630	0.8
205.12318	1.1
207.10165	2.1
223.13365	53.0
224.13663	3.6
262.97409	0.9
267.12329	100.0
268.12616	8.7
291.08557	1.3
292.08829	1.3
361.12848	3.3
424.88632	0.9
517.98907	0.8
576.68628	1.0
692.79736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.6
59.01373	85.2
59.53651	0.7
60.01686	1.1
67.51401	0.8
67.58768	0.6
68.99798	1.0
71.05030	1.7
72.25021	0.7
83.05019	1.2
87.00847	2.2
87.69348	0.6
101.02441	2.2
120.26716	0.7
135.04526	1.0
153.12233	0.7
161.02483	1.4
161.13324	2.8
163.11253	1.7
177.79968	0.7
187.11241	0.9
205.12183	0.8
207.10257	3.3
223.13353	53.9
224.13686	3.5
267.12326	100.0
268.12640	9.4
291.09024	1.4
361.12796	1.5
695.88519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	2.5
61.98800	3.2
71.01382	1.5
72.50537	1.0
73.02941	0.8
79.95729	1.0
85.02926	1.6
89.02417	1.3
96.96002	12.1
98.95565	3.0
99.00852	2.1
101.02435	1.4
107.04994	2.1
122.16447	0.9
132.02216	1.0
133.02928	14.8
134.03732	10.0
135.04510	100.0
136.04826	3.7
161.02423	35.5
179.03467	48.7
180.03815	2.9
193.05096	1.1
220.46919	0.9
226.27187	0.9
281.46790	0.8
318.70108	1.0
335.26944	0.9
413.10757	1.1
515.14001	8.9
516.14465	1.3
791.34796	46.9
792.34998	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	791.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
64.07420	16.2
96.92522	15.9
96.95985	14.6
98.19852	42.6
102.09161	13.1
133.02972	18.0
152.99606	16.2
161.02422	31.9
195.90735	13.4
211.13383	61.0
234.25595	15.3
236.01942	13.4
241.42575	14.6
293.21167	40.5
471.34885	45.8
791.43213	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.1
69.41048	1.3
71.05012	0.5
82.90014	0.1
96.96040	0.2
98.19882	0.3
100.79708	0.2
161.02496	0.3
162.54027	0.1
168.13898	0.3
205.15898	0.2
316.74017	0.2
371.29453	0.4
391.30090	0.2
400.63873	0.2
407.33258	1.0
408.33426	0.3
423.32666	0.5
425.34204	1.3
426.34589	0.2
427.26685	0.2
427.31949	1.0
439.32031	0.5
443.35339	0.9
454.79117	0.2
455.31454	0.2
467.31195	0.3
469.33151	11.4
470.33728	1.6
487.34216	100.0
488.34549	16.2
637.27161	0.3
757.32495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
56.24443	0.2
59.01358	0.7
61.98823	3.2
68.99528	0.2
71.01360	0.5
71.28307	0.3
73.02937	7.1
75.00851	0.7
87.00893	0.3
89.02443	0.3
96.96022	0.3
99.00855	2.0
99.92571	11.5
100.92586	0.5
101.02348	0.2
114.93427	0.5
116.92847	100.0
116.97232	8.1
117.01923	11.4
117.05553	0.4
117.92855	5.5
118.02293	0.3
127.94248	0.2
184.20889	0.2
277.21768	0.4
335.17526	0.7
397.13455	0.6
415.14603	0.4
473.10660	0.3
778.10114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4374
Annotation	A 77003
Peak:m/z	Relative Intensity
56.60480	0.5
57.03231	0.4
57.03442	5.1
59.01144	0.4
59.01374	6.2
60.72744	0.5
61.98825	2.8
67.01866	0.7
68.99803	1.8
69.03432	0.6
69.93439	2.7
71.01375	6.3
72.99285	3.4
73.02929	1.0
75.00864	43.1
83.01373	1.4
84.96532	0.5
85.02940	28.5
87.00867	3.1
89.01884	0.5
89.02431	1.7
90.60570	0.4
95.01375	3.6
95.28046	0.5
96.95991	2.1
99.00868	2.5
99.05617	0.5
101.02402	1.0
112.01679	0.9
113.02437	12.5
115.00354	1.0
116.01179	0.6
117.01931	1.2
117.03409	0.6
129.01918	1.1
129.69345	0.7
133.02928	5.2
134.03316	1.1
135.04488	1.9
135.97383	0.5
145.02916	1.6
152.03410	0.6
157.01367	1.1
161.02425	9.7
162.02730	2.6
179.03502	1.4
187.11278	0.8
189.79332	0.5
237.09500	0.6
261.99887	0.5
281.13913	1.1
370.96191	0.6
437.33374	0.5
455.35309	3.8
456.35556	0.8
497.36594	2.4
509.35687	0.7
555.36627	0.8
569.38654	6.2
570.38751	1.8
587.39978	0.7
588.39148	0.7
613.37384	1.1
631.38367	8.0
632.38617	2.0
673.38959	0.8
714.56494	0.5
714.83185	0.5
749.35687	0.8
793.43628	100.0
794.44098	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4374
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03438	6.1
59.01130	0.4
59.01369	4.4
60.99286	0.4
61.98814	1.8
67.01881	0.9
68.99808	1.4
69.03434	0.6
71.01370	6.1
72.99301	4.2
73.02929	0.7
75.00861	45.6
76.01188	0.6
80.54953	0.4
83.01363	1.6
85.02940	27.3
86.00098	0.4
86.03269	0.7
87.00857	2.6
89.02413	0.6
95.01377	3.1
96.95993	1.8
97.21731	0.4
98.20694	0.9
99.00883	2.7
101.02391	0.7
111.00827	0.7
112.01678	0.8
113.02437	12.3
115.00340	1.5
117.01894	1.4
117.03403	0.7
129.01888	1.2
133.02942	1.8
134.03120	0.4
135.04483	1.2
145.02939	1.6
152.03606	0.4
157.01402	0.9
161.02440	4.3
162.02731	0.7
175.02405	0.7
179.03506	0.7
230.56273	0.4
242.00117	0.6
336.00592	0.5
437.33939	0.5
453.33731	0.5
455.35312	5.0
456.35706	1.0
471.26804	0.4
497.36398	2.2
498.36304	0.4
501.18665	1.2
509.36032	0.7
569.38336	8.7
570.38666	1.6
571.36298	0.5
587.39325	1.3
613.37292	0.7
623.19574	1.1
631.38306	10.3
632.38776	1.6
793.43622	100.0
794.44012	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	795.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.7
59.01373	22.9
60.17018	0.5
64.15845	0.6
69.02039	0.6
70.09132	1.0
70.09498	1.7
71.01375	12.9
72.99313	0.7
73.02923	1.2
75.00866	0.9
79.05504	0.5
83.01373	1.2
85.02943	4.7
89.02431	11.5
95.01361	1.9
97.02915	0.8
101.02435	6.2
107.05023	0.7
107.80518	0.6
113.02434	8.8
113.06103	0.6
119.03484	3.9
120.05813	3.0
124.31121	0.6
133.10258	3.1
135.04544	0.9
135.11794	11.7
143.08653	1.1
146.07333	2.9
149.09697	0.7
152.04781	1.3
159.08151	1.2
159.11789	3.6
161.04503	2.2
161.09695	23.1
162.09973	1.1
177.12898	0.8
179.05556	2.6
179.10748	64.9
180.11105	3.3
182.56938	0.5
193.12265	0.8
200.98338	0.6
203.10741	10.4
204.11115	0.6
205.08730	1.2
221.11847	2.7
223.09720	100.0
224.10040	6.7
247.09703	4.3
265.10690	2.2
325.12769	1.1
385.14975	27.0
386.15201	2.4
409.15094	0.7
633.26215	0.8
644.58038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01372	12.2
69.45205	3.3
71.01376	17.3
71.01759	0.9
72.99303	1.5
73.02946	1.7
73.54778	0.5
83.01388	1.2
85.02947	4.1
87.00864	34.4
89.02451	1.7
89.03943	0.5
93.03436	0.5
93.56068	0.5
95.01395	1.0
96.96003	0.9
99.00868	0.7
101.02448	1.9
105.03414	0.7
112.98801	0.9
113.02447	5.6
115.00359	46.6
116.00697	0.9
123.00818	0.6
123.04495	1.3
127.00345	0.6
129.01909	0.6
133.02948	9.6
134.03735	0.9
135.04515	16.5
136.04855	0.8
145.01418	0.9
145.02945	0.6
147.04460	0.8
149.02458	0.7
150.03206	0.8
151.03955	2.2
151.29051	0.4
159.04488	0.6
161.02429	17.6
162.02989	0.7
173.02405	0.7
174.03131	0.9
175.02469	100.0
176.02785	3.0
177.01920	6.6
179.03477	18.5
180.03850	0.6
187.03951	2.3
189.01962	1.0
190.02698	52.4
191.03192	3.3
191.05592	0.9
193.05095	0.4
201.01886	0.9
201.05498	0.8
203.03514	3.1
204.04099	0.6
205.04985	0.8
214.02689	0.5
229.04982	1.4
231.02911	1.3
247.06055	0.9
248.76810	0.5
291.05072	27.5
292.05490	2.2
335.04025	71.5
336.04437	6.0
348.30457	0.4
459.14774	0.6
461.16547	4.7
462.16895	0.7
487.14426	3.7
488.15036	0.5
524.35486	0.5
539.75928	0.5
621.18097	12.9
622.18439	2.2
623.19482	0.6
651.19836	0.9
779.20630	0.9
797.21448	3.6
798.21558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.1
61.98818	2.7
63.34018	1.1
71.01379	1.9
71.04985	1.3
71.61994	1.4
85.02950	1.5
96.96031	2.6
97.02914	2.1
97.75566	1.2
111.08141	11.5
133.02913	1.7
135.04503	1.6
161.02443	2.8
169.12300	3.3
179.03447	1.7
181.12387	1.7
197.11804	49.3
198.12088	2.8
199.13351	2.0
209.15486	4.5
211.13371	3.5
223.17067	1.8
251.16428	2.2
263.16031	1.4
263.20102	2.0
285.03983	1.9
291.19644	17.1
309.20679	100.0
310.21124	10.0
444.06833	1.6
467.31317	1.5
469.33261	9.6
487.34210	67.1
488.34457	12.3
627.45129	1.3
775.36047	1.5
797.45221	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	798.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01373	4.6
61.98817	0.6
64.07753	0.4
69.44469	3.0
71.01372	9.0
72.51649	0.4
72.73134	0.4
72.99305	0.6
75.68079	0.4
85.02940	10.6
86.03267	0.5
89.02434	1.5
95.01387	3.6
101.02442	1.2
105.03462	1.0
109.02949	0.6
113.02438	19.5
117.03465	1.2
123.04531	0.6
132.02148	3.7
133.02943	56.0
134.03639	3.2
135.04510	11.1
137.02426	0.4
145.13596	0.4
161.02423	100.0
162.02757	5.1
165.01904	0.6
179.03471	6.8
180.03839	0.5
193.04961	2.7
195.99817	0.4
266.04477	3.8
267.05344	5.4
268.06012	2.5
282.07693	0.6
295.04825	10.7
296.05499	3.6
301.33026	0.5
310.07108	3.0
313.05908	1.3
328.08264	0.6
341.39355	0.4
475.11475	0.5
605.63483	0.4
621.16901	1.6
636.19208	16.4
637.19427	2.2
764.97565	0.4
798.22351	46.2
799.22583	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	798.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.2
59.58542	0.1
61.98823	100.0
62.98539	0.2
71.61289	0.2
78.95905	1.2
80.32822	0.1
82.85334	0.1
96.96962	0.3
104.14818	0.1
120.96044	0.1
121.98256	0.1
125.00781	0.1
137.06059	0.2
147.09058	0.1
154.89565	0.1
223.13481	0.3
224.13739	0.3
277.21732	0.4
293.21027	0.2
294.21698	0.2
295.22049	0.1
345.55179	0.1
368.05270	0.2
405.28922	0.1
493.54376	0.1
520.13824	0.2
542.14435	0.1
798.36530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61382	0.2
57.03431	0.4
59.01380	1.5
60.99314	0.3
67.01880	0.7
69.44592	1.6
71.01375	1.5
81.03441	0.4
83.05010	0.6
83.30367	0.2
85.02936	3.1
87.00870	1.1
89.02425	0.6
93.03445	5.2
95.01410	0.4
98.19859	0.4
99.04482	0.2
101.02433	0.5
109.02957	0.3
111.04519	2.4
113.02443	2.6
117.03436	0.2
119.05015	48.4
120.05350	1.9
121.02969	0.3
121.32851	0.2
127.04011	0.6
129.01955	0.2
133.02924	0.3
134.03601	0.2
135.04518	1.8
137.02446	0.5
145.02931	0.4
155.03490	2.3
163.03990	100.0
164.04321	5.1
173.04527	7.5
174.04893	0.2
175.09685	0.2
177.01921	0.3
179.03372	0.4
191.05586	24.1
192.05972	0.8
230.61714	0.3
277.05627	0.3
281.86191	0.2
313.72632	0.2
337.09250	44.3
337.15558	1.1
338.09549	4.0
353.08664	0.3
412.17560	0.2
461.16559	7.1
462.16852	0.8
611.98608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
59.01381	3.7
60.99295	0.7
67.01897	4.4
69.03436	1.4
70.22004	2.2
71.01368	5.8
73.02947	0.9
81.03455	1.2
83.05023	0.9
85.02942	8.2
87.00875	2.5
89.03941	2.0
93.03449	29.3
94.03817	1.1
96.95992	3.0
98.19872	0.9
99.04478	4.0
107.05041	1.8
109.02964	1.9
111.00869	1.4
111.04507	7.4
113.02470	1.2
115.00362	1.0
117.03448	6.2
119.05107	0.9
127.04003	2.2
133.02948	2.9
134.03728	82.9
135.04523	62.5
136.04854	2.9
137.02449	5.7
144.41046	0.8
149.06090	6.5
151.04144	0.8
155.03464	7.5
161.02420	6.1
173.04524	100.0
174.04858	4.1
177.01886	1.0
179.03473	62.2
180.03827	2.6
191.05589	65.4
192.05911	2.5
193.05028	94.8
194.05391	4.7
217.00258	0.7
231.22186	0.7
283.19067	0.9
321.99612	0.8
349.14999	2.2
353.08740	80.5
354.09113	6.4
367.10281	49.7
367.15054	1.5
368.10675	5.0
445.13361	2.3
473.13257	0.9
500.22375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02124	0.7
57.03439	1.2
58.00581	3.7
59.01373	100.0
60.01715	0.9
66.63933	0.7
66.67326	0.6
69.67505	1.7
69.67907	3.1
71.01376	56.8
72.99294	3.8
73.02917	1.0
77.20500	0.6
81.07092	1.9
83.01390	2.3
85.02953	9.7
87.00869	3.6
89.02436	69.7
90.02802	1.0
93.07116	0.9
95.01412	4.4
95.47958	0.8
98.19909	1.3
99.04507	8.5
101.02430	29.2
111.04520	1.1
113.02445	21.8
119.03487	29.1
120.03836	1.0
125.06111	0.8
131.03490	3.3
133.02913	0.8
135.04555	0.8
143.03514	7.1
146.62115	0.6
149.04541	2.5
149.06172	0.7
150.06911	1.9
161.02515	1.2
161.04539	8.6
161.13332	21.4
162.13739	1.3
179.05592	32.3
180.05919	1.3
187.11298	2.9
205.12303	57.8
206.12604	3.4
231.10335	0.9
249.11285	86.0
250.11595	6.3
296.15237	1.3
321.17004	0.7
330.84183	0.7
347.49857	0.9
385.18655	5.7
386.19019	1.5
429.17593	83.0
430.17996	10.0
637.27051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
58.00582	3.9
59.01372	100.0
59.98513	1.3
60.01712	1.5
69.82475	3.2
69.82825	1.1
71.01374	57.9
72.99316	3.8
73.02928	1.5
74.02460	0.8
81.07092	2.3
83.01389	2.2
85.02929	10.7
87.00856	3.5
87.92210	0.6
89.02432	79.4
90.02789	1.2
93.07088	0.7
93.88500	0.7
95.01376	4.9
99.04505	11.0
101.02429	31.1
111.04520	1.0
113.01804	0.4
113.02432	22.0
119.03484	36.8
120.03792	0.9
131.03525	3.7
143.03476	7.5
149.04506	3.7
150.06883	1.6
161.02385	2.0
161.04530	8.2
161.11958	0.8
161.13335	20.3
162.13661	2.8
179.05576	33.7
180.05901	1.3
187.11226	2.5
205.12294	62.1
206.12628	4.1
225.54298	0.7
242.18356	0.7
249.11275	97.0
250.11595	7.9
296.15085	1.5
308.04550	0.6
344.75089	0.7
364.27344	0.6
369.23737	0.6
385.18625	8.8
386.18759	0.7
411.16467	0.8
429.17563	88.0
430.17978	10.6
507.01627	0.6
551.15326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83524	1.2
57.03441	3.5
58.42157	1.0
59.01372	24.8
61.98820	7.7
70.42397	1.2
70.44508	1.2
71.01376	48.3
72.99302	2.5
73.02932	12.4
83.01387	8.4
85.02934	22.4
87.00868	2.3
89.02438	11.0
95.01350	2.8
96.96015	3.5
98.20754	2.6
99.00860	7.5
101.02437	32.6
106.51312	1.2
113.02441	17.0
119.03473	3.5
125.02369	1.5
130.47478	1.2
133.03046	1.5
134.03722	2.6
140.57817	1.2
143.03456	3.3
149.02357	1.3
159.02951	2.8
161.02452	2.6
161.04523	14.7
165.05487	1.7
179.05592	2.2
193.04976	3.0
219.58426	1.3
244.50169	1.3
284.03247	1.6
285.04050	7.1
375.82892	1.2
469.32788	2.1
577.37134	7.1
702.54462	1.2
739.42621	100.0
740.43048	24.8
799.35815	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	799.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
58.00591	0.6
59.01374	21.6
59.34322	0.4
61.98827	8.3
64.24664	0.5
67.36049	0.5
68.99814	0.5
69.03441	1.6
71.01376	47.5
72.01699	1.1
72.99297	2.1
73.02940	18.0
75.00867	0.6
83.00897	0.6
83.01388	7.8
83.86204	0.5
84.02151	0.6
85.02940	21.8
87.00864	2.2
88.98807	0.6
89.02436	9.5
95.01378	3.5
96.95996	2.2
97.02921	2.1
99.00870	6.0
101.02432	34.9
111.00851	0.9
113.01687	1.0
113.02441	17.6
119.03503	3.9
125.02454	3.1
129.01895	1.0
131.03442	0.7
133.89418	0.5
134.03716	1.6
134.97517	0.6
135.04530	1.1
143.03458	1.9
149.02403	0.5
159.02922	3.8
161.04532	14.1
164.04820	0.5
179.03485	0.9
179.05528	2.0
193.05037	1.1
221.06660	1.0
223.06151	0.7
245.06450	0.6
263.07547	1.1
268.04813	0.6
319.68271	0.6
377.91135	0.6
577.37341	8.5
578.37946	1.6
739.42615	100.0
740.42975	23.7
799.48352	2.8
800.49835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57437	1.5
59.01372	16.7
61.98816	6.7
68.31223	1.2
70.11004	3.5
70.11407	1.8
71.01373	1.8
85.02932	1.5
94.56178	1.4
101.02452	1.4
113.02469	2.0
157.03294	1.5
164.22760	1.4
183.13910	5.8
198.70866	1.4
211.13373	100.0
212.13756	6.4
233.14464	1.4
235.08205	2.4
253.09343	6.2
263.31915	1.2
277.21701	68.6
278.21826	7.2
379.17776	2.0
429.21161	2.1
447.22372	11.5
448.22531	1.6
508.64636	1.5
513.30548	1.6
646.35272	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	801.244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04642	0.2
56.90893	0.2
58.45043	0.2
59.01367	1.7
60.72859	0.2
67.01886	0.2
69.03445	0.3
71.01366	1.7
73.02930	0.7
81.03427	0.3
83.20979	0.2
85.02431	0.4
85.02942	6.4
86.03280	0.3
86.55585	0.2
87.00882	1.4
89.02445	1.3
89.03996	0.2
93.03445	3.4
99.00858	0.9
99.04519	0.3
101.02453	1.0
105.03463	0.3
109.02925	0.7
111.04504	1.3
113.02424	0.9
119.02547	0.2
119.05017	2.7
120.05363	0.9
121.06544	0.2
127.04002	1.6
131.03490	0.6
133.02951	1.7
134.03687	0.4
135.04509	3.3
136.04846	0.2
137.02412	0.3
149.02431	0.3
149.04570	0.3
155.03421	0.3
161.02417	2.6
163.04002	5.0
164.04341	2.0
165.04346	0.3
165.05554	0.7
171.02971	0.4
173.04518	2.2
175.02493	0.2
176.01048	0.2
177.01906	12.5
178.02188	0.4
179.03484	1.3
180.50377	0.2
191.05585	100.0
192.05930	3.8
193.03423	0.3
193.04866	0.3
206.73494	0.2
223.06168	0.3
229.46155	0.2
262.53098	0.2
315.10773	0.2
317.24860	0.2
337.09180	1.5
338.09464	1.6
339.06870	3.5
339.10120	0.6
340.07404	0.5
341.08765	0.6
353.08728	16.9
354.09113	1.6
447.14990	7.1
448.09525	0.2
448.15341	0.8
461.16824	1.2
462.16650	0.4
615.74988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04642	0.2
56.90893	0.2
58.45043	0.2
59.01367	1.7
60.72859	0.2
67.01886	0.2
69.03445	0.3
71.01366	1.7
73.02930	0.7
81.03427	0.3
83.20979	0.2
85.02431	0.4
85.02942	6.4
86.03280	0.3
86.55585	0.2
87.00882	1.4
89.02445	1.3
89.03996	0.2
93.03445	3.4
99.00858	0.9
99.04519	0.3
101.02453	1.0
105.03463	0.3
109.02925	0.7
111.04504	1.3
113.02424	0.9
119.02547	0.2
119.05017	2.7
120.05363	0.9
121.06544	0.2
127.04002	1.6
131.03490	0.6
133.02951	1.7
134.03687	0.4
135.04509	3.3
136.04846	0.2
137.02412	0.3
149.02431	0.3
149.04570	0.3
155.03421	0.3
161.02417	2.6
163.04002	5.0
164.04341	2.0
165.04346	0.3
165.05554	0.7
171.02971	0.4
173.04518	2.2
175.02493	0.2
176.01048	0.2
177.01906	12.5
178.02188	0.4
179.03484	1.3
180.50377	0.2
191.05585	100.0
192.05930	3.8
193.03423	0.3
193.04866	0.3
206.73494	0.2
223.06168	0.3
229.46155	0.2
262.53098	0.2
315.10773	0.2
317.24860	0.2
337.09180	1.5
338.09464	1.6
339.06870	3.5
339.10120	0.6
340.07404	0.5
341.08765	0.6
353.08728	16.9
354.09113	1.6
447.14990	7.1
448.09525	0.2
448.15341	0.8
461.16824	1.2
462.16650	0.4
615.74988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
57.45232	0.5
59.01362	1.9
60.99305	1.2
66.82031	0.5
67.01875	2.8
69.03452	1.0
71.01362	2.6
71.62560	0.9
79.22678	0.6
81.03443	1.1
83.05000	1.6
85.02941	5.1
87.00861	3.3
89.02435	0.6
91.05505	0.7
92.59747	0.5
93.03450	20.9
93.83482	0.5
94.03789	0.8
96.95990	1.9
99.00923	0.6
99.04519	1.0
101.02431	0.8
101.35735	0.6
109.02895	1.1
111.00890	0.6
111.04504	4.9
112.04906	0.5
113.02434	0.8
117.03480	0.7
119.04987	1.4
121.02951	8.0
127.04016	2.1
129.01949	0.8
129.70300	0.5
132.02174	0.5
133.02931	0.7
134.03723	2.0
135.04489	1.2
137.02419	2.2
147.04512	3.5
149.02422	60.7
150.02779	2.6
155.03474	4.7
161.02368	1.5
163.03963	1.2
164.04768	60.3
165.05092	2.9
173.04521	55.6
174.04880	2.0
179.03391	0.7
179.07104	5.2
191.05583	64.6
192.05908	1.7
193.05070	1.8
206.41954	0.5
208.03712	0.6
223.06081	100.0
224.06406	5.4
346.16113	0.5
362.91922	0.6
397.11325	56.0
398.11646	5.0
694.49567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	2.9
59.01372	81.4
60.01710	1.1
67.01884	2.8
69.03447	80.8
69.22913	10.3
70.03765	1.5
71.01371	36.6
72.99299	3.3
73.02910	2.0
78.10826	1.0
80.33202	0.9
83.01361	3.1
84.88055	1.2
85.02949	8.6
87.00870	1.6
89.02431	25.0
93.07122	1.4
93.90899	1.0
95.01375	3.5
95.05009	22.4
96.77779	0.9
96.95952	0.9
98.19888	1.8
99.04502	1.9
101.02435	15.2
106.04244	6.8
107.04998	1.2
111.00860	3.0
113.02438	15.8
116.29485	0.9
116.92796	1.7
119.03502	8.2
119.05014	1.3
121.02927	10.1
121.06580	29.9
122.06903	1.7
123.04508	6.3
133.02919	2.5
135.04454	2.9
139.00330	8.8
139.04019	1.8
139.07648	8.2
143.03380	1.0
145.02956	1.4
150.03310	1.0
161.02422	6.1
161.04532	1.2
161.13322	6.7
165.05565	12.0
166.05818	1.1
183.06593	4.3
185.13345	1.9
187.11237	16.1
203.14243	2.0
205.12288	6.8
209.04535	2.9
219.13734	1.2
229.12254	4.4
231.10365	1.7
247.13268	2.3
249.11227	3.6
295.04254	0.9
343.86652	1.0
345.11877	19.3
346.11929	1.2
351.14499	1.3
389.10748	8.4
411.16360	1.1
463.02170	1.0
500.58441	1.1
531.20166	1.5
533.23792	3.4
577.22803	14.0
578.22748	2.2
591.21832	1.8
603.19452	1.3
621.21729	22.3
622.21887	3.2
757.29321	7.4
758.29871	1.2
759.72620	1.1
783.26892	2.1
801.28088	100.0
802.28455	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	801.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.8
59.01373	100.0
59.24708	0.4
59.82645	0.4
60.01715	0.7
67.29000	0.3
68.99816	0.8
69.03452	0.5
71.01370	13.5
73.02933	2.8
78.95896	3.8
83.01372	5.6
85.02939	3.1
85.24241	0.4
87.00861	0.6
87.90720	0.4
89.02465	0.8
93.03454	0.6
95.01364	0.4
95.05061	0.4
96.96026	0.8
96.96972	0.4
97.02965	0.9
99.00880	0.9
101.02419	3.0
104.74491	0.4
109.06591	0.8
113.02423	3.1
113.03061	0.3
121.06622	0.5
125.02462	1.4
133.02965	4.3
135.04506	3.1
137.09741	2.1
139.07660	1.0
139.11320	0.8
143.03545	1.1
149.09732	0.4
152.99698	0.4
155.03461	0.5
161.02437	10.2
161.04594	1.4
179.03490	2.8
183.10243	40.2
184.10532	2.0
189.12820	0.5
192.11539	4.7
203.05569	16.4
204.05963	0.6
207.13873	31.7
208.14261	1.7
221.06711	0.5
237.24545	0.4
245.04572	0.7
296.09299	0.6
411.20163	0.4
535.86963	0.4
622.21686	1.4
623.20239	0.6
717.46918	0.4
772.24060	0.6
801.25317	0.8
802.26392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35257	0.2
57.03439	0.4
58.00589	1.2
59.01372	30.9
60.01722	0.3
64.46293	0.2
69.45190	1.2
69.45590	0.5
69.77556	0.2
71.01374	16.4
72.01719	0.3
72.77251	0.2
72.99304	1.5
73.02928	0.5
78.95911	0.2
83.01380	1.1
85.02942	3.4
87.00877	0.8
89.02435	19.8
90.02727	0.3
93.03439	0.3
95.01363	1.6
96.95973	0.2
99.00902	0.4
101.02431	12.8
107.51118	0.2
113.02436	7.1
113.09732	0.8
119.03487	7.4
131.03458	0.4
133.02925	1.1
135.04588	1.0
137.02435	0.3
141.09203	6.3
143.03514	0.6
149.04491	0.5
159.10249	2.2
161.02423	2.3
161.04507	0.5
173.04547	1.0
179.03448	0.9
179.05609	0.6
204.45143	0.2
321.15485	100.0
322.15829	7.6
322.19653	0.3
347.17169	0.3
373.15030	0.7
417.15076	0.3
450.08392	0.2
729.22980	0.3
801.23749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13411	0.3
59.01373	0.5
61.98825	2.7
70.89139	0.5
70.89450	0.3
78.46558	0.3
222.64017	0.3
255.23326	0.4
277.21646	0.4
278.22763	0.3
279.23245	100.0
280.23599	8.5
374.60544	0.2
518.79291	0.3
710.33777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.5
59.78674	0.3
61.98841	1.1
69.51283	1.6
71.01379	0.4
72.46996	0.3
81.28753	0.2
85.02943	0.4
88.98788	0.3
96.95975	1.3
98.20619	0.5
127.11272	0.4
133.02916	0.4
135.04515	0.5
139.11235	0.4
155.10724	1.8
161.02429	1.0
169.12361	0.3
169.41641	0.2
171.10243	2.6
179.03539	0.3
198.23473	0.2
252.92468	0.2
277.21832	0.4
295.19406	0.3
295.22714	4.6
311.22275	0.5
313.23792	100.0
314.24124	8.7
381.17834	0.3
391.30103	0.4
393.31570	0.6
405.31616	0.7
437.30728	0.6
457.33292	0.3
469.33109	0.5
487.34216	22.5
488.34647	3.7
654.64020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.3
61.98825	100.0
66.33700	0.1
71.01385	0.1
71.61343	0.2
78.95884	0.9
101.14048	0.2
101.93832	0.1
123.17818	0.1
152.99588	0.6
209.33905	0.2
211.13400	0.8
212.13776	0.6
257.12924	0.1
277.21765	0.7
278.22137	0.5
279.22742	0.3
364.00464	0.1
442.82123	0.2
500.50131	0.2
534.00952	0.2
589.58966	0.2
802.39673	0.5
805.65198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01376	5.0
66.72900	0.6
67.26177	0.5
69.68728	3.4
71.01369	6.9
73.02934	0.7
77.04011	0.6
83.01394	0.6
85.02940	8.1
87.00894	0.6
89.02434	2.6
89.03986	0.6
91.05506	0.7
93.03448	0.9
93.27029	0.5
95.01369	3.0
98.20628	0.6
99.50531	0.5
101.02426	1.4
103.58820	0.5
105.03455	1.0
107.05009	2.1
109.02971	1.3
113.02434	19.4
114.02815	0.9
117.03436	1.9
119.03475	0.7
121.02965	1.0
123.04539	0.9
132.02190	1.9
133.02939	34.0
134.03754	7.9
135.04507	100.0
136.04817	4.2
143.03455	0.6
147.04471	0.6
149.06056	0.7
149.51221	0.5
151.03897	0.5
153.05614	1.5
161.02422	85.8
162.02747	4.2
163.03955	3.6
175.03944	0.6
179.03473	21.9
180.03818	1.2
193.05031	0.9
297.07455	1.1
315.10812	1.5
382.64117	0.6
461.16553	4.9
623.19714	13.1
624.20313	1.8
641.20758	43.2
642.21118	6.4
785.22766	5.3
786.22400	0.9
789.18903	0.6
803.23907	23.2
804.24268	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	803.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
57.56392	0.6
59.01373	46.8
60.01710	1.1
64.45649	0.7
69.47813	4.8
71.01375	14.8
72.01723	0.6
72.18131	0.7
73.02952	1.8
74.33382	0.6
74.35143	0.6
83.01356	0.8
85.02940	9.8
89.02426	8.8
89.03992	0.7
95.01381	3.7
99.00867	0.8
101.02428	4.5
107.05002	2.5
108.69910	0.7
109.02943	1.2
113.02435	22.2
113.03227	1.1
114.02774	0.9
117.03462	2.1
119.03479	2.6
123.04522	1.9
131.03484	0.7
132.02161	2.1
133.02945	37.2
133.36984	0.6
134.03740	6.8
135.04509	94.7
136.04837	5.0
143.03412	1.1
147.04668	0.6
153.05563	1.1
161.02423	100.0
161.04594	3.6
161.09689	0.9
162.02760	5.7
163.03986	3.5
168.90392	0.7
179.03470	19.7
179.05768	0.9
179.10754	1.4
180.03839	1.2
194.02347	0.7
205.01424	1.5
205.12314	1.5
206.12759	0.9
223.09720	2.1
223.79953	0.6
249.11339	2.9
250.11757	1.5
251.11697	0.8
261.65881	0.7
315.10925	2.4
331.17496	4.4
341.06586	1.6
350.11102	0.6
373.18622	4.7
429.17569	2.1
430.17734	1.9
431.18082	1.2
461.16553	3.5
462.31659	0.7
623.19702	13.8
624.19867	2.4
625.19312	0.9
641.20764	37.8
642.21069	6.6
785.22528	5.3
786.23724	1.7
803.08752	1.4
803.23865	26.9
804.24384	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	803.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94729	0.6
59.01374	3.5
69.38012	2.0
69.38439	2.8
71.01379	5.1
73.02939	0.5
85.02938	5.3
89.02441	2.0
95.01368	2.2
100.37756	0.7
100.52337	0.6
101.02432	0.9
113.02435	10.8
117.03455	0.9
119.03545	0.7
119.39148	0.6
123.04527	1.2
132.02168	2.2
133.02937	32.6
134.03310	1.1
135.04506	22.4
136.04803	0.8
153.05559	0.9
161.02422	100.0
162.02791	4.1
173.04562	1.4
179.03484	3.6
197.26913	0.6
211.58797	0.6
235.57262	0.7
315.10806	1.7
338.16101	0.6
341.06717	0.7
373.14920	0.9
383.37619	0.6
461.16495	3.1
550.30127	0.7
623.19720	40.2
624.19958	7.2
785.22998	6.6
786.24005	2.0
803.23889	11.1
804.24445	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	803.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51278	0.3
58.81112	0.3
59.01376	5.8
70.83910	0.8
71.01377	4.7
72.99318	0.3
73.02936	0.3
73.76504	0.3
83.01360	0.3
85.02930	2.4
89.02434	3.2
90.68675	0.3
95.01381	0.9
101.02412	1.8
105.03474	0.2
107.05166	0.3
108.22947	0.2
113.02441	5.8
117.03493	0.3
119.03490	1.3
119.05023	0.4
132.02127	1.4
133.02940	24.4
134.03285	1.0
135.04510	12.6
136.04832	0.5
143.03374	0.3
145.50339	0.3
149.06013	0.5
151.03960	0.4
153.05518	0.4
160.01674	0.3
161.02422	100.0
162.02740	4.4
163.04015	0.3
175.04024	0.5
177.05545	1.7
179.03477	19.2
180.03784	0.9
191.40515	0.3
203.03481	1.9
221.04480	1.3
251.05612	0.9
267.09933	0.3
281.06781	1.3
281.09552	0.3
315.10806	0.4
341.08701	50.3
342.09091	5.3
461.16608	13.6
462.16907	1.2
477.15958	1.4
499.99185	0.3
606.90643	0.3
761.51703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.4
57.58841	0.3
59.01088	0.6
59.01371	6.6
61.98827	0.6
71.01374	7.2
73.02973	0.6
76.32436	0.3
77.03976	0.4
81.03427	0.4
83.01377	0.3
85.02942	9.0
87.00873	0.9
89.02437	3.4
89.03974	0.5
95.01381	3.5
96.95998	0.6
101.02422	2.6
105.03439	0.9
106.04200	0.3
107.05031	0.4
109.02959	0.6
111.69597	0.4
113.02437	14.3
114.02772	0.5
117.03455	1.0
119.03471	0.7
121.02952	0.4
122.03732	0.4
123.04517	1.4
123.12201	0.4
132.02151	2.8
133.02942	43.7
134.03372	1.9
135.04509	26.4
136.04843	1.1
137.02435	0.4
137.06119	0.4
145.02962	0.3
146.03697	0.7
147.04523	3.5
149.06049	4.9
150.03296	0.4
153.05554	0.7
153.09174	2.5
161.02423	100.0
162.02760	5.5
163.02852	0.4
173.05988	0.5
174.03236	1.4
175.04002	2.1
176.04759	2.0
179.03459	8.9
180.03802	0.7
188.98837	0.3
189.05516	2.3
271.13354	5.1
272.13831	0.5
289.14377	0.7
314.11688	0.5
315.11649	1.5
355.95514	0.4
461.16550	2.6
514.37915	0.4
582.38055	0.4
597.25513	6.3
598.26111	1.6
623.20038	0.7
641.24414	18.0
642.24835	3.2
759.28564	28.2
760.28973	6.3
771.22516	0.6
803.27289	11.1
804.28076	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	803.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65232	0.8
59.01377	8.1
59.45821	0.8
69.26601	7.9
71.01376	11.4
72.99304	1.8
85.02956	9.2
89.02425	5.9
89.03951	2.4
89.30779	1.0
89.57728	1.0
93.03459	1.7
93.77476	0.9
95.01374	3.4
99.00877	1.6
101.02438	3.3
107.05016	1.5
108.02187	1.1
109.02942	3.8
110.13020	0.8
113.02431	20.1
114.17589	1.0
117.03450	7.1
119.03532	1.3
119.05016	1.9
121.02946	4.4
122.03719	3.6
123.04534	5.0
125.02350	0.9
132.02159	5.7
133.02945	30.4
134.03728	85.3
135.04523	57.9
136.01646	1.4
136.04887	2.3
137.02451	5.5
139.03992	2.0
147.04489	1.6
149.02454	9.2
149.06067	14.7
150.03217	30.7
151.03696	1.5
153.05548	2.6
160.01639	16.8
161.02425	88.0
162.02806	2.1
163.03989	4.9
165.05545	24.8
166.99416	0.8
175.03983	25.7
176.04422	1.6
178.02684	15.1
179.03482	17.9
180.04060	1.8
193.05035	100.0
194.05342	6.0
195.06590	9.0
207.06482	1.0
219.03041	1.5
265.07144	1.4
267.06229	0.9
282.08975	2.3
297.07312	1.4
315.10736	1.5
323.07639	0.9
341.10187	4.2
371.11224	9.1
372.11636	1.5
389.12314	5.0
413.14368	8.1
431.15372	3.1
431.94281	0.9
461.16498	4.2
465.13528	1.5
607.20203	46.2
608.20728	8.3
623.19647	10.3
624.19446	1.6
641.20837	8.5
642.21399	1.9
759.24500	1.8
785.23218	13.4
786.23077	4.4
803.23926	25.7
804.24634	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	803.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01372	1.7
59.07272	0.3
60.99299	0.5
65.17263	0.3
66.48117	0.3
67.01884	4.1
69.03435	1.1
69.35288	3.0
71.01371	3.9
73.02927	0.5
79.41678	0.3
81.03433	0.6
83.05016	0.9
85.02972	0.7
93.03446	25.0
94.03781	0.7
98.20676	0.7
109.02956	0.9
111.00876	1.1
111.04501	4.2
113.02439	1.0
133.02965	1.9
135.04527	2.0
137.02428	4.9
137.09714	1.5
154.50517	0.3
155.03468	4.4
155.10764	22.7
156.11095	1.2
161.02419	5.5
162.02849	0.4
164.07077	0.4
167.53198	0.3
173.04520	100.0
174.04858	3.6
179.03537	0.3
181.25581	0.3
195.94344	0.3
199.09746	10.9
200.10037	0.7
267.12375	0.4
373.14957	60.7
374.15298	5.5
490.36063	0.4
495.49765	0.4
623.19690	1.8
803.24036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71601	1.1
57.03445	2.0
59.01373	23.6
61.90048	0.8
61.98827	5.5
68.99789	1.1
69.03430	1.3
70.00498	4.2
71.01374	50.2
72.99287	1.4
73.02943	13.1
79.95721	4.9
83.01365	7.5
85.02943	21.4
87.00887	3.1
89.02440	11.5
93.03468	1.1
95.01388	3.4
96.96000	97.8
97.02923	1.4
98.95634	1.0
99.00881	5.5
101.02438	36.7
111.00873	1.8
113.02433	19.1
114.29795	1.0
119.03486	3.4
119.04958	1.2
123.04456	1.5
125.02436	2.6
128.03452	1.1
129.01939	1.1
133.02943	1.9
134.03783	4.5
135.04514	8.0
136.04843	1.4
137.02470	2.4
139.00366	1.3
143.03514	2.1
149.06009	1.4
150.03192	1.1
153.05534	1.1
153.09193	3.4
159.02936	2.4
160.01616	1.3
161.02481	4.9
161.04533	13.2
162.02852	1.0
163.07640	1.4
165.05588	1.2
171.17175	0.9
175.03973	2.3
176.04840	1.0
179.03465	2.9
179.05554	1.8
181.21155	0.9
191.05632	1.2
193.05017	4.6
197.08115	3.4
235.06015	1.6
285.04050	1.2
371.49500	1.0
473.36136	3.4
546.20575	1.0
550.51611	1.0
551.39722	0.9
565.23981	1.3
581.40625	4.6
627.18451	1.2
641.42810	1.3
737.33984	1.0
743.45782	100.0
744.32733	1.4
744.46112	22.8
767.45770	7.3
768.46051	3.1
803.43774	10.4
804.44690	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	805.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.4
69.70406	0.7
69.70822	1.9
71.01367	4.1
72.99310	0.9
73.02944	0.8
73.97832	0.4
83.01354	0.7
85.02942	2.2
85.33124	0.4
87.00874	0.5
89.02451	1.7
89.03960	0.6
93.03443	2.5
95.01400	0.4
95.05006	0.4
97.02953	1.1
99.00870	0.8
101.02443	1.5
107.05032	0.7
108.30215	0.4
113.02435	3.1
117.03453	3.5
118.07588	0.5
119.05020	2.0
121.02940	9.4
122.03752	4.7
123.00899	1.1
123.04489	1.2
124.01653	4.0
125.02394	1.7
132.02112	2.1
133.02959	4.1
134.03723	72.5
135.04588	6.8
136.01657	0.8
137.02420	8.1
138.02968	0.4
139.03984	2.8
140.09743	0.4
147.04512	1.0
149.02428	14.6
149.06062	14.3
150.03203	38.3
151.03633	1.3
153.05588	0.9
153.09122	0.6
159.04433	0.5
160.01636	9.4
161.02441	7.2
162.02811	0.5
163.03906	0.7
164.04807	2.9
165.05540	36.1
166.05907	1.8
173.04535	1.2
175.03983	13.1
176.04382	0.6
178.02695	17.6
179.03412	2.8
180.04247	2.5
191.05342	0.6
192.04272	1.0
193.05026	100.0
194.05386	5.3
195.04816	0.9
195.06595	17.1
196.06992	1.0
197.04443	0.7
210.13660	0.4
221.06024	1.1
233.06129	0.9
234.06792	1.1
238.06377	0.7
239.07120	2.3
249.05589	0.6
250.06244	2.4
253.08774	0.5
254.09439	0.5
265.06903	0.8
267.06595	1.8
275.07660	1.6
282.08926	7.2
283.09341	1.0
284.03076	0.7
285.04025	1.6
297.11227	0.6
326.07858	1.0
341.10226	27.8
342.10809	3.1
357.15393	0.5
371.11240	9.3
372.11639	0.9
389.12350	26.7
390.12787	2.7
407.05621	0.5
415.12399	1.6
431.13162	0.8
447.09366	2.2
461.15994	0.6
469.13373	4.0
470.13644	0.8
503.17508	0.8
581.29419	0.5
609.18152	22.4
610.18414	3.1
637.82111	0.5
665.20898	1.6
769.24261	0.5
805.25677	6.6
806.26080	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	805.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.6
58.00594	3.4
59.01373	100.0
60.01702	1.0
64.45608	0.6
67.01886	1.9
68.99806	15.2
69.03449	20.4
71.01373	67.0
72.99307	6.1
73.02938	1.8
75.68021	0.6
83.01368	1.3
85.02940	11.5
87.00857	5.2
89.02435	92.8
90.02766	1.2
93.03429	1.1
95.01386	5.0
95.05032	3.9
97.02922	0.8
99.00861	4.6
101.02435	48.9
102.02746	0.9
111.00837	0.8
113.02432	27.5
114.02689	0.8
119.03490	36.9
119.04851	1.5
121.02123	1.3
121.02941	16.2
121.06519	1.1
122.03146	0.8
123.04513	3.4
125.02439	1.0
127.04009	5.1
131.03479	4.5
133.02893	0.8
134.79060	0.6
135.04485	1.4
137.06023	2.8
139.00327	2.3
139.04057	0.9
143.03481	8.7
147.04463	2.1
149.02390	2.2
149.04462	3.0
153.05560	3.1
161.02419	1.7
161.04529	10.3
163.03958	1.5
165.05534	1.8
173.04442	0.8
179.05594	45.6
179.07076	3.8
180.05957	1.6
181.04970	1.9
191.03371	2.2
191.05467	1.5
197.08104	2.5
223.06085	51.7
224.06314	2.2
227.76334	0.7
239.09157	0.7
241.07005	1.4
248.57959	0.7
333.08029	1.9
342.64096	0.7
347.12863	0.8
359.13074	1.9
371.09348	2.5
387.16409	1.9
403.12408	31.3
404.12604	3.9
625.17780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01372	2.8
61.98827	0.4
69.03426	0.2
70.13152	0.1
71.01376	2.5
71.11182	0.1
72.99306	0.2
73.02942	0.4
80.19033	0.1
83.01400	0.3
83.05032	0.2
85.02953	0.5
87.00879	0.5
89.02435	1.9
89.92659	0.1
95.01393	0.2
97.02916	0.2
97.06615	0.2
101.02431	2.3
102.03207	0.1
108.29462	0.1
109.06622	0.1
111.08153	0.3
113.02438	1.1
113.09705	0.3
119.03465	0.6
121.10208	0.1
126.02956	0.1
137.90778	0.1
143.03459	0.2
149.09706	0.2
161.04530	1.2
167.10724	0.2
171.10226	0.6
177.12823	0.2
177.99438	0.1
179.05586	0.5
179.14365	0.9
180.18680	0.1
181.12346	0.2
195.13881	8.1
196.14452	0.8
205.12340	0.8
205.15891	0.5
211.13361	0.6
223.13368	5.2
224.13780	0.4
225.14960	0.2
228.13692	0.8
231.21155	0.3
235.08170	1.0
239.12840	0.1
249.22160	0.2
253.09256	17.6
254.09576	0.8
256.13129	1.4
265.21725	0.5
275.20111	5.8
276.20410	0.6
293.21185	100.0
294.21506	9.3
331.21326	0.1
381.35516	0.1
382.53571	0.1
492.21652	0.4
529.30145	1.3
530.29712	0.2
569.42035	1.3
570.42133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.8
67.01881	29.4
68.02229	0.6
68.99805	19.4
69.03442	3.2
70.00157	0.3
71.01367	3.4
71.06750	0.3
77.44299	0.2
83.01374	0.5
85.02925	0.9
87.00832	0.3
89.02434	5.3
93.03441	1.2
95.01411	0.7
95.05014	66.9
96.05348	1.8
97.02910	0.4
99.04513	1.9
101.02432	37.9
102.02763	0.8
103.33938	0.3
105.13376	0.2
111.00864	13.6
111.04504	1.4
112.01633	1.1
113.02426	1.1
119.03481	2.0
119.04937	0.4
121.02940	17.4
121.06621	0.4
122.03267	1.0
123.03677	0.5
123.04511	3.5
125.02496	0.6
127.03995	75.4
128.04340	2.5
137.06058	0.9
139.00357	44.9
139.03986	19.7
140.00688	1.6
140.04332	0.7
143.03461	0.5
147.04497	2.0
149.02432	1.4
153.05457	0.4
161.04572	0.3
165.05545	7.0
171.02937	1.5
173.04521	2.9
179.05580	1.9
179.07022	0.5
180.04376	0.3
181.05096	0.4
191.05576	0.3
191.79704	0.3
195.06659	0.4
209.04514	3.5
223.06071	3.5
233.96828	0.3
241.07135	100.0
242.07454	6.2
371.09625	0.5
375.16595	1.6
382.23245	0.3
403.12311	2.0
404.13089	0.4
564.46930	0.3
748.54877	0.3
788.16547	0.3
793.41949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84277	16.6
61.98818	100.0
90.45692	13.8
121.03001	19.1
131.01210	15.5
193.74231	16.4
202.52234	14.7
216.37827	23.6
277.21658	45.6
278.21927	24.3
280.16364	16.1
300.35226	15.6
357.13412	19.8
376.21332	15.7
446.65271	17.7
463.16754	17.5
591.76813	14.5
751.05798	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	808.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	1.5
62.85582	0.4
63.26705	0.3
69.64498	1.7
69.64899	0.8
78.54098	0.3
78.76384	0.4
78.95896	100.0
83.84126	0.4
96.96950	8.3
98.20592	0.5
103.83968	0.5
111.23308	0.3
117.47245	0.4
118.06591	0.5
144.04523	0.5
144.18567	0.4
145.05272	0.6
148.03986	0.5
150.98000	3.0
152.99570	92.7
153.99875	1.7
160.04008	0.4
171.00612	1.5
176.07153	2.6
186.01949	0.9
202.05063	3.4
203.05881	3.5
204.03027	1.7
204.06673	3.2
208.09703	2.4
219.05453	0.6
220.06094	1.4
234.07684	15.8
235.07962	0.6
255.23262	31.7
256.23615	2.7
263.21841	0.4
267.90356	0.4
297.83731	0.4
297.91327	0.3
300.50500	0.4
349.88342	0.4
372.14456	1.7
373.14911	0.5
391.22388	3.6
409.23511	8.9
410.24023	1.1
552.16254	7.0
553.16455	0.8
808.40320	59.5
809.40717	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	808.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98811	0.7
64.67991	0.2
67.88206	0.2
69.27638	0.8
69.28056	1.4
71.01365	0.3
78.95892	5.2
84.29362	0.2
88.49105	0.2
95.05021	0.3
97.06564	0.5
98.20640	0.5
119.05008	0.4
125.06083	0.3
127.07640	0.3
141.09212	0.2
142.92126	0.2
146.57913	0.2
148.08907	0.9
150.10475	0.8
151.11263	0.4
152.99605	1.5
163.11276	1.0
165.12816	22.3
166.13165	0.9
168.04297	1.2
170.57896	0.2
175.11249	0.8
176.11996	0.3
177.12785	0.6
191.14384	0.9
202.09944	0.3
217.15923	0.4
219.17375	0.2
223.13483	0.3
224.06964	0.6
242.07936	2.3
245.18925	0.5
247.20624	10.6
248.21017	0.9
259.20520	0.4
263.33875	0.2
273.18564	5.7
274.18787	0.6
277.21671	60.3
278.22015	6.4
291.19608	100.0
292.19958	8.8
502.29327	35.5
503.29678	4.6
649.99384	0.2
655.13092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
60.67356	0.2
62.47977	0.2
63.02384	0.4
64.05850	0.2
65.00327	1.1
82.69820	0.2
83.01380	0.7
93.03444	0.4
96.95995	2.0
98.95580	0.4
101.02414	0.2
107.01382	2.6
121.02905	0.6
132.02197	0.6
133.02942	13.2
135.04498	0.3
145.60918	0.3
149.02422	1.9
151.00352	4.5
153.09167	0.7
159.91158	0.2
161.02412	0.5
163.04080	0.3
165.05524	0.3
169.06561	0.2
171.04489	0.3
175.03998	3.1
179.03455	0.3
185.06117	0.3
189.05566	0.3
195.06613	0.3
196.63760	0.2
197.06171	0.3
197.08148	1.1
198.03261	0.3
199.03981	2.5
201.01892	0.9
213.05588	0.6
215.03491	0.4
217.05052	1.3
223.03949	0.2
230.21150	0.3
237.70618	0.2
241.04994	0.8
243.02899	0.5
257.04544	0.5
267.03036	0.3
285.04010	100.0
286.01349	0.3
286.04355	7.8
347.53851	0.3
379.58530	0.3
642.16241	0.3
809.26062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
58.00575	0.3
59.01376	4.3
61.98814	0.4
69.58212	1.4
71.01379	5.3
72.99290	0.3
73.02930	0.5
77.03988	0.4
78.95898	0.4
83.01392	0.3
85.02942	4.9
86.35780	0.2
88.03392	0.2
89.02439	2.3
95.00828	0.3
95.01371	2.1
96.95980	0.4
101.02437	1.4
103.36435	0.2
105.03452	1.0
113.02439	8.6
114.57879	0.2
116.05055	0.8
117.03442	1.3
119.03487	0.8
121.02971	0.2
123.04555	0.4
125.02395	0.2
132.02171	2.4
133.02943	40.5
134.03197	1.1
135.04517	8.2
136.03986	0.4
137.02475	0.3
143.03432	0.4
143.75505	0.2
146.06119	0.6
148.04048	0.6
149.04778	0.8
149.05891	0.2
157.05293	0.6
161.02428	100.0
162.02759	4.4
164.07175	0.9
164.29555	0.2
171.10281	0.3
179.03488	5.3
180.03857	0.3
182.08133	0.6
194.84613	0.2
211.13321	0.4
271.55084	0.2
327.21692	0.8
329.23227	0.7
344.13461	0.4
373.51056	0.3
480.20352	0.3
487.14236	0.2
490.19330	0.8
629.23517	0.4
647.24188	2.2
648.24976	0.4
651.21808	0.8
652.22375	40.4
653.22723	6.4
657.26599	0.2
692.22052	1.3
693.21576	0.3
791.26617	5.1
792.26971	1.4
809.27692	3.2
810.28003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.98821	2.2
69.38674	3.1
71.01374	0.9
88.98792	0.8
93.03449	5.0
95.01392	0.4
95.05010	0.4
96.96003	2.6
101.02415	0.4
108.02169	0.9
109.02964	0.9
111.00850	0.5
116.92860	0.8
119.05024	0.7
121.02954	5.6
122.03731	17.2
123.00880	0.5
123.04495	1.3
124.01683	0.4
133.02959	1.4
134.03757	2.8
135.04520	1.4
136.01634	2.8
137.02451	3.5
139.00426	0.7
146.03702	1.1
147.04532	0.4
149.02428	22.2
149.06067	1.1
150.03209	100.0
151.00372	1.5
151.03926	6.6
152.04677	0.3
153.09148	0.7
160.01636	0.5
161.02429	0.7
161.06081	0.3
163.03984	0.5
164.04776	4.0
165.05550	93.4
166.02689	3.4
166.05907	4.6
167.03400	0.4
175.03966	0.8
176.04733	0.4
177.05544	1.0
179.03503	1.0
179.07098	5.8
180.04265	5.6
181.05042	6.2
193.05045	1.6
195.06598	64.1
196.06914	3.6
197.08124	0.5
204.04329	0.4
205.05025	1.6
215.06599	0.3
218.39201	0.4
219.06564	1.3
220.07433	0.4
227.28465	0.4
387.10400	0.5
387.14597	2.4
401.12714	0.5
417.15512	8.0
418.15695	0.5
425.59372	0.4
535.19421	0.7
550.18030	0.5
564.19055	0.4
565.20593	11.4
566.21130	1.6
583.21588	0.7
595.22223	2.0
596.21790	0.5
613.22906	4.2
614.23212	1.0
667.23596	0.6
713.25806	1.0
743.26770	0.8
761.28027	1.4
791.29413	0.8
809.30438	1.5
809.43298	0.6
810.29993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01619	0.4
59.01374	6.2
61.98825	2.2
67.01887	1.1
68.99814	1.1
69.03477	0.6
69.24805	3.9
71.01394	1.2
85.02985	0.6
89.02472	0.8
93.03450	8.2
93.03993	0.7
95.01378	0.8
95.05044	0.6
96.96001	5.2
100.38419	0.4
101.02457	1.6
105.03472	0.6
107.05035	0.9
108.02202	0.9
109.02950	2.0
111.00881	3.9
111.04538	1.8
113.02467	1.1
116.92894	0.4
117.03460	0.6
117.83540	0.4
119.05000	1.0
121.02938	7.0
122.03722	15.8
123.04512	1.4
126.28178	0.4
127.04014	1.5
132.02168	1.1
133.02950	3.9
134.03746	6.7
135.04533	4.1
136.01640	6.9
137.02432	6.9
137.06062	0.5
139.00391	2.6
139.03943	0.5
144.94585	0.5
145.02989	0.7
146.03693	1.3
147.04500	1.8
148.01637	0.7
148.05212	0.5
149.02426	28.7
149.06039	4.2
150.03210	100.0
151.00357	1.9
151.04010	17.8
151.07706	0.4
152.01154	0.5
152.04660	1.0
153.05557	1.7
160.01645	2.9
161.02429	2.3
161.06036	0.8
162.03235	1.2
163.04007	1.8
164.04773	6.7
165.01866	1.6
165.05550	88.5
166.02716	4.3
166.05896	4.2
167.03391	1.3
175.03958	3.7
176.04727	2.1
177.01915	0.6
177.05553	3.3
178.02690	1.1
179.03519	2.5
179.07115	8.3
180.04257	6.2
181.05048	7.7
184.03806	0.5
187.04021	0.8
190.06306	0.5
191.07143	2.6
192.04231	1.1
193.05074	5.6
195.06602	49.2
196.06995	2.1
199.82387	0.5
205.05032	2.8
207.03001	0.7
207.06540	1.3
219.06604	1.8
220.07285	1.2
221.07965	0.5
235.06091	4.0
265.07126	1.2
273.07617	2.1
275.05582	1.3
295.08069	1.2
307.08267	5.5
315.08777	2.3
333.09641	0.6
355.10294	0.6
375.10876	0.8
386.13641	0.8
387.14127	1.6
402.12793	0.9
417.15442	7.6
435.12796	2.0
535.16406	0.8
551.18964	1.0
564.19641	1.4
565.20721	17.9
566.20935	3.5
595.21912	2.4
596.22070	0.8
597.18347	3.5
598.19104	0.8
613.22827	5.1
614.22577	0.8
619.21399	1.3
667.23602	1.0
713.25824	8.1
714.26355	2.9
743.27539	3.2
744.26923	1.2
761.27582	1.9
773.22284	3.0
774.23804	0.8
791.29132	1.0
809.29547	2.8
810.30121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
61.98808	0.4
64.46383	0.2
71.01382	0.3
71.19179	0.3
79.01912	0.2
84.02171	0.2
85.02956	0.5
86.73767	0.2
88.59845	0.2
93.03445	0.8
95.01403	0.2
96.96012	0.3
108.02177	0.6
109.02936	0.7
116.74652	0.2
117.03459	0.3
121.02943	4.8
122.03735	1.7
123.00874	1.4
123.04536	0.3
124.01630	0.5
125.02431	0.6
134.03726	0.5
135.04601	0.3
136.01642	26.4
137.02467	3.2
138.02902	0.2
141.01649	0.3
147.04475	0.3
149.02457	0.6
149.06049	0.4
151.00354	15.0
151.03984	35.7
152.01074	1.0
152.04297	1.6
153.01923	0.3
154.02702	0.6
159.04515	0.5
160.05301	0.6
161.02309	0.4
162.03183	0.4
163.03979	0.8
164.04774	0.3
165.01872	0.5
166.02690	43.1
167.03227	1.8
173.02536	0.3
175.03923	0.8
175.07611	0.7
177.01924	1.8
177.05498	0.6
179.03436	0.5
181.05037	43.9
182.05354	1.7
184.03772	0.3
187.04097	0.2
188.04776	0.2
189.05515	0.3
190.06310	0.7
191.03574	0.3
192.04268	0.5
193.05029	0.5
203.07114	0.3
205.05069	0.3
205.08694	0.3
206.05821	0.3
207.06619	0.5
219.06607	0.6
224.03082	0.2
271.06076	0.3
277.21738	2.1
286.08536	0.2
291.23355	0.5
299.09116	0.2
329.10263	0.9
341.13763	0.6
357.09714	7.6
357.14023	0.5
358.10184	0.8
372.12094	5.9
373.12326	0.5
374.14948	0.2
387.14423	100.0
388.14774	10.2
499.98505	0.3
511.71329	0.2
531.18146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
58.00575	0.9
59.01373	17.9
61.35137	0.4
61.98826	4.5
62.87661	0.4
67.01875	0.7
68.99804	1.6
69.03445	0.6
71.01375	22.4
72.99297	2.1
73.02931	3.0
73.03275	0.4
75.00862	8.4
83.01375	2.7
85.02942	12.5
86.00099	0.5
87.00859	1.6
89.02434	9.2
95.01377	4.3
96.95995	3.6
97.02924	0.5
98.95605	0.4
99.00866	16.7
101.02422	9.8
111.00871	0.7
112.01629	0.4
113.02437	9.9
115.00373	0.8
116.92839	1.3
119.03467	1.7
133.02972	0.5
133.33488	0.4
134.03754	2.2
135.04517	0.8
139.00333	0.5
150.03131	0.7
157.01407	1.2
161.02493	0.6
179.03488	0.6
193.05040	2.0
195.06467	0.5
357.43799	0.4
407.33289	0.8
424.43268	0.4
469.33154	1.6
470.33664	0.5
471.34628	1.8
539.37164	2.7
540.37402	0.7
567.53528	0.5
578.49670	0.4
583.36469	0.5
585.38129	1.0
629.36420	0.9
747.43262	1.3
749.44922	0.5
809.43176	100.0
810.43567	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
58.00576	0.9
59.01371	24.4
59.31714	0.3
60.01696	0.9
61.98820	2.2
62.15385	0.3
67.01867	0.6
68.95544	0.3
68.99820	1.4
69.03443	0.3
71.01373	24.7
71.20316	0.2
72.99305	2.0
73.02929	2.4
75.00861	10.0
77.99390	0.3
80.17937	0.3
83.01369	2.7
85.02941	18.1
86.00069	0.5
86.03246	0.4
87.00856	2.8
89.02433	9.7
89.02988	0.6
95.01376	4.4
96.95996	1.7
97.02941	0.4
98.20603	0.9
99.00868	17.5
100.01193	0.4
101.02433	9.7
111.00834	0.6
112.01634	1.0
113.02435	14.7
114.02770	0.4
115.00327	0.6
119.03477	2.7
125.24041	0.3
131.03447	0.6
133.02921	0.3
134.03697	1.0
135.04433	0.6
136.68764	0.3
139.00352	1.1
157.01358	1.6
159.02892	0.4
161.02484	0.4
161.04488	0.8
179.05518	0.5
193.05023	0.9
194.37378	0.3
222.25818	0.3
227.08884	0.3
232.01585	0.3
423.32336	1.4
437.30548	0.8
439.31903	1.8
451.31970	0.5
453.33545	0.8
469.33255	1.4
470.33228	0.3
471.35043	5.3
472.34985	1.1
492.34082	0.3
513.36115	0.5
516.49493	0.3
553.35529	1.6
585.38086	2.9
586.37823	0.3
603.38220	0.9
629.36743	3.9
630.37341	0.9
749.45258	1.7
809.43152	100.0
810.43500	24.8
810.59424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01379	1.5
60.99301	3.7
61.98820	0.7
65.03954	0.3
67.01881	7.8
69.03447	3.8
71.01373	3.8
71.04993	0.3
73.02943	0.2
73.17767	0.2
81.03432	1.8
83.05007	1.3
85.02954	1.0
87.00864	11.6
93.03445	63.3
94.03773	1.6
94.55178	0.2
95.04905	0.2
95.97735	0.2
96.95994	0.5
98.19810	0.4
99.00866	1.1
99.04515	0.9
101.02428	0.5
105.51929	0.2
109.02934	0.7
111.00861	0.4
111.04511	9.6
111.08164	0.3
112.04844	0.2
113.02434	1.2
115.03982	0.7
119.05015	0.2
127.04052	0.5
129.01926	1.4
133.02951	0.3
134.03757	0.3
135.04530	0.4
137.02455	1.2
139.11287	1.3
143.03481	0.9
153.01904	0.3
155.03484	3.1
161.02348	0.5
166.32916	0.2
173.04524	50.6
174.04831	1.6
183.10219	4.0
191.05582	9.2
192.05980	0.3
264.00653	0.2
284.40268	0.2
308.52893	0.3
345.10919	0.4
357.15479	100.0
358.11197	0.4
358.15802	8.1
391.54297	0.2
574.24957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	64.0
70.34247	100.0
78.60516	34.3
109.91222	37.2
124.61337	32.6
125.36673	27.2
167.72704	29.6
244.92836	31.6
277.21729	81.2
422.58209	34.0
547.53741	30.1
606.86627	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	809.6293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70035	0.1
61.98822	0.9
62.38508	0.1
69.63107	0.6
69.63524	0.4
71.05228	0.1
72.99297	0.2
78.95898	0.2
80.96505	0.4
137.43625	0.2
178.09134	0.2
228.44981	0.2
236.94075	0.1
253.21722	0.2
324.15787	0.2
455.35226	100.0
456.35553	17.3
647.53522	0.2
809.43213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.6293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.5
64.56966	0.2
69.63759	0.8
78.49027	0.2
78.95861	0.3
80.96496	0.2
98.59035	0.2
143.28210	0.2
178.47774	0.2
226.48453	0.2
243.94565	0.2
255.23242	0.2
259.49933	0.2
407.33066	0.3
455.35226	100.0
456.35571	15.1
722.93317	0.2
809.43475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99756	0.6
58.02982	2.7
59.01374	3.9
64.77221	0.6
69.41419	2.8
69.41848	2.1
71.01366	0.7
78.95914	1.7
81.03435	1.6
93.03447	0.6
95.05023	1.2
96.96018	1.5
97.73928	0.5
113.02453	1.4
123.04504	0.9
128.10812	9.3
130.08723	100.0
131.09113	3.6
133.02951	2.1
134.03497	0.6
135.04497	6.0
135.08163	1.3
136.04834	1.3
154.08725	2.8
161.02434	5.1
162.02750	1.6
172.09737	4.3
173.04510	1.9
177.09155	1.4
179.03476	4.1
179.07083	1.0
180.03867	0.8
181.08762	0.9
246.18562	1.1
254.13957	0.7
277.06491	0.8
290.17474	1.7
291.17517	0.6
291.48514	0.6
308.18655	9.0
309.18967	0.7
316.75656	0.6
334.16672	3.8
352.17584	94.4
353.17926	11.4
354.18048	1.6
648.17670	0.8
810.20715	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	811.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44992	0.4
57.03443	2.1
58.00575	0.5
59.01092	0.7
59.01373	12.2
66.91569	0.4
67.01888	0.4
70.99400	0.7
71.01374	19.4
72.99291	1.2
73.02931	1.5
74.54066	0.4
75.00873	0.6
83.01367	1.0
85.02940	19.1
86.03305	0.5
87.00855	1.1
89.02437	8.7
90.76937	0.4
91.04717	0.3
93.03471	0.5
94.70560	0.4
95.01369	6.7
97.02962	0.4
99.00854	0.8
99.04507	19.6
101.02440	5.0
107.08618	0.6
113.02435	40.6
114.02770	0.9
119.03494	1.9
119.04966	0.4
123.04495	1.7
131.03482	0.4
133.02924	0.7
135.04510	26.2
136.04820	1.0
143.03453	0.6
147.02992	0.8
153.05560	1.1
161.04530	1.9
169.08624	0.7
173.04424	0.6
183.10265	0.4
191.05586	1.9
201.11293	2.1
215.05731	0.4
236.49036	0.4
259.17053	0.3
267.07162	1.2
270.08417	0.3
297.09668	1.3
315.10867	3.2
349.11179	5.3
349.14978	23.1
350.15329	2.3
351.07132	0.6
390.23044	0.4
461.16565	100.0
462.16901	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	811.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.4
61.98819	7.5
69.54213	6.3
71.01353	3.8
79.95735	1.1
85.02934	1.6
88.98789	1.1
89.02428	2.8
96.95994	10.3
98.69479	0.7
101.02406	2.8
105.03403	0.8
105.79224	0.7
109.02966	0.8
113.02471	1.0
117.03468	1.1
121.02872	1.1
121.13229	0.8
132.02129	1.5
133.02940	39.8
134.03761	9.6
135.04506	16.8
137.02411	3.5
139.03979	2.1
145.02928	1.2
161.02423	100.0
162.02766	6.0
163.03958	1.2
178.02637	1.9
179.03413	2.5
193.05035	3.4
431.40479	0.9
453.36700	1.0
487.33972	1.4
587.37634	1.6
605.38477	1.5
631.36115	1.1
649.37341	80.3
650.37695	19.6
751.46429	3.7
752.46240	1.4
811.42657	32.9
812.42889	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	813.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01373	3.1
61.25348	0.3
61.98819	4.3
71.01373	3.2
71.09647	0.6
72.99312	0.4
73.02937	0.6
79.95735	0.3
80.96526	0.7
83.01402	0.5
85.02948	1.2
87.00850	0.9
87.31472	0.4
88.98795	0.7
89.02444	0.8
89.03962	2.5
93.03439	0.5
96.95993	3.2
98.95589	0.8
99.00846	0.4
101.02435	2.3
106.04216	0.4
109.02900	0.4
111.00896	0.3
113.02466	0.9
116.92862	0.7
117.03454	7.0
121.02953	0.9
125.02415	0.7
130.89508	0.4
132.02142	2.3
133.03024	0.6
134.03726	100.0
135.03998	4.3
135.05397	0.4
137.02422	0.8
145.03023	0.4
149.06073	6.5
160.01634	8.8
161.02466	1.9
173.04485	0.4
175.03973	9.7
178.02701	1.8
179.03465	1.0
193.05029	92.6
194.05354	4.1
237.07726	0.3
285.04095	0.5
299.18237	0.4
347.26422	0.4
351.15915	0.7
505.33749	0.8
619.36945	5.9
620.37085	1.2
651.71136	0.4
777.43054	0.6
813.42810	19.0
814.43091	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	815.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.1
59.01379	0.9
67.01884	0.2
69.74665	0.4
69.75090	0.3
71.01376	0.8
73.02910	0.2
81.03459	0.3
83.05025	0.2
85.02943	6.1
86.03279	0.2
87.00865	1.4
93.03446	2.5
95.01368	0.2
98.20641	0.2
99.04490	0.2
108.80295	0.1
109.02964	0.6
111.04512	0.8
112.59104	0.2
113.02452	0.7
127.04000	1.7
133.02968	0.7
134.03661	0.1
135.04512	1.9
136.04759	0.2
137.02415	0.3
155.03520	0.1
161.02397	1.5
171.02968	0.5
173.04510	1.4
179.03514	1.0
191.05583	100.0
192.05925	3.8
309.12921	0.1
315.11176	0.1
353.08725	17.0
354.09015	1.9
461.16513	2.6
462.16931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
59.01369	0.9
60.99271	0.1
66.47611	0.1
67.01873	0.2
71.01383	0.7
73.02524	0.1
73.02945	0.3
81.03448	0.1
83.05013	0.2
85.02941	6.0
87.00864	1.4
93.03444	2.4
99.04448	0.2
101.02478	0.2
109.02925	0.5
111.04506	1.0
112.15434	0.1
113.02438	0.2
119.05029	0.1
127.04001	1.9
133.02951	0.7
135.04510	1.2
137.02478	0.1
143.03455	0.1
155.03427	0.2
161.02437	1.9
171.02995	0.4
173.04498	1.2
179.03436	0.9
180.03792	0.1
191.05580	100.0
192.05920	3.9
193.06042	0.2
256.87054	0.1
281.10315	0.1
284.26782	0.1
336.73520	0.1
337.22168	0.1
341.12463	0.2
353.08707	17.5
354.09061	1.9
461.16644	0.2
489.98917	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	815.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
60.99286	0.3
61.98825	1.9
69.03463	0.2
71.01370	1.5
71.20131	0.2
72.99300	0.6
73.02955	0.4
79.95737	0.3
80.96529	0.8
85.02945	0.6
86.00057	0.2
88.98792	1.1
89.02438	1.2
93.03449	1.0
95.01407	0.2
96.95998	1.8
97.02954	0.2
99.00864	0.2
101.02406	1.2
103.00378	0.2
105.03462	0.2
107.05042	0.2
108.02166	0.4
109.02951	0.2
110.03334	0.2
111.00861	0.2
113.02432	0.7
116.92816	0.2
117.03438	0.5
119.05026	0.7
121.02974	1.4
122.03716	2.2
123.04545	0.2
125.02418	0.7
131.04938	0.3
132.02147	0.7
133.02936	1.3
134.03726	12.7
135.04584	1.6
136.01689	0.4
137.02457	1.4
139.03995	0.3
145.02939	0.4
147.04503	2.0
148.05286	2.5
149.02538	2.6
149.06064	100.0
150.03207	8.5
150.06401	4.2
151.03587	0.4
153.09093	0.2
154.02704	0.2
160.01631	2.9
161.02454	1.7
163.04054	0.4
164.04834	0.4
164.98630	0.2
165.05551	7.3
166.05943	0.4
173.04529	0.5
175.03978	4.1
178.02701	3.8
179.03410	0.6
180.04250	0.6
191.07115	1.8
193.05035	16.3
194.05351	0.9
195.06616	2.9
235.06076	0.3
245.08241	0.4
250.06337	0.3
265.07074	0.9
267.06607	0.2
282.09003	0.6
285.04022	0.2
293.10406	0.2
299.05505	0.5
323.11386	0.3
341.10278	1.9
342.10547	0.2
365.12418	0.3
367.10474	0.6
371.11261	1.5
389.12415	3.3
390.12555	0.3
425.14474	10.5
426.14902	1.1
431.13693	0.9
443.15421	0.6
461.14749	0.2
469.13461	8.8
470.13718	0.9
485.32922	0.4
488.09369	0.2
614.29089	0.2
617.18408	0.3
619.20197	6.5
619.30042	0.4
620.20874	1.2
653.21753	0.3
665.21204	1.7
666.20978	0.3
725.65979	0.2
767.25836	0.3
814.46069	0.3
815.26508	0.4
815.47174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
58.00587	0.2
59.01374	6.8
71.01376	4.0
71.52598	0.1
73.02935	0.3
76.41347	0.2
77.03957	0.3
79.54671	0.1
81.53698	0.1
83.01376	0.3
85.02940	4.6
87.00871	0.5
89.02428	1.9
89.03978	0.3
93.03440	0.2
95.01380	1.6
95.05020	0.2
96.95988	0.2
101.02428	1.1
103.04015	0.2
104.02615	0.2
105.03432	0.9
107.05042	0.1
109.02947	0.3
113.02436	9.0
115.01820	0.2
115.37976	0.1
117.03468	1.1
119.03487	0.6
123.04510	1.5
127.04003	0.2
131.03462	0.1
132.02158	3.0
133.02939	41.8
134.03313	1.3
135.04507	14.4
136.04810	0.5
137.02386	0.5
139.00273	0.2
143.03473	0.3
145.02921	0.2
153.05542	1.2
153.51871	0.1
160.01688	0.3
161.02420	100.0
162.02760	4.5
177.05568	0.1
178.02654	0.5
179.03470	4.2
180.03830	0.3
203.03517	0.3
209.11816	0.9
227.37210	0.1
269.04578	0.2
297.09689	0.3
315.10782	1.2
443.15454	0.6
461.16562	4.7
462.17087	0.4
477.13800	0.2
502.36496	0.1
605.18384	0.9
623.19708	5.9
624.20135	0.3
653.28149	1.2
654.28595	0.2
665.20959	0.7
745.72540	0.3
746.24011	0.2
815.31207	27.5
816.31525	7.1
816.47174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01372	5.5
69.32587	2.3
71.01375	4.2
73.02946	0.7
76.09476	0.2
79.98368	0.2
80.96518	0.5
83.01360	0.6
85.02943	4.1
86.92452	0.3
87.00884	0.4
89.02419	2.1
89.03944	0.3
91.12814	0.2
95.01376	1.6
96.96005	0.4
97.02920	0.3
99.00857	0.3
101.02420	1.3
104.02707	0.3
105.03448	0.9
113.02434	8.4
115.01929	0.5
117.03450	1.1
119.03482	0.5
123.04511	2.1
125.02497	0.2
128.04829	0.2
130.29228	0.2
132.02148	2.5
133.02939	44.4
134.03162	1.1
135.04509	15.4
136.04826	0.6
143.03407	0.3
145.02917	0.8
153.05563	1.5
160.01758	0.3
161.02420	100.0
162.02763	3.6
171.10208	0.3
179.03444	2.7
182.41707	0.3
185.11771	0.3
209.11761	2.3
282.15021	0.2
297.09689	0.7
307.19058	2.1
315.10867	1.1
325.20111	2.7
326.20444	0.3
327.21997	0.4
390.19803	0.3
461.16534	3.3
605.18359	0.4
623.19562	1.7
624.20148	0.5
653.28088	2.7
654.28192	0.4
665.21143	0.3
669.26642	0.3
815.31232	34.6
816.31482	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	815.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91263	0.6
57.03441	2.0
58.00579	4.7
59.01372	100.0
59.98504	1.2
60.01709	1.4
65.13571	0.6
68.93086	0.6
69.27422	5.7
71.01373	53.4
72.01727	0.9
72.99296	4.0
73.02941	1.9
81.07102	2.0
83.01371	2.0
85.02935	10.4
87.00856	3.5
89.02432	71.2
90.02760	1.1
95.01381	5.0
99.04510	8.3
101.02431	27.7
111.04513	1.6
113.02438	23.5
119.03488	27.7
120.05828	1.3
125.02434	1.0
125.06118	1.0
131.03488	3.3
133.02972	3.1
133.10211	0.9
135.04527	5.0
135.11823	4.9
143.03493	5.6
149.04529	2.7
149.06104	1.0
150.06870	1.1
159.08174	0.9
159.11784	1.0
161.02429	10.3
161.04492	7.5
161.09714	7.5
161.13339	15.8
162.10034	0.7
162.13655	1.1
171.87093	0.6
178.55573	0.7
179.03488	4.3
179.05585	34.5
179.10759	18.4
180.11014	1.1
187.11246	4.0
203.10736	3.0
205.12306	48.5
206.12663	2.9
221.11816	1.0
223.09726	33.9
224.10106	1.9
249.11275	85.7
250.11626	6.2
279.78702	0.7
355.32098	0.8
385.14423	10.1
385.19479	6.4
386.15283	1.6
429.17575	94.1
430.17944	10.2
621.18188	2.2
622.18884	2.9
622.69110	0.7
623.19421	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	815.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69694	1.2
57.03433	1.4
57.94099	1.0
59.01373	9.1
61.98825	7.8
63.71714	1.0
63.96247	1.7
69.02825	1.2
69.03452	1.5
71.01379	18.0
71.61756	1.3
73.02918	1.7
78.98587	8.6
79.95729	19.4
80.96506	100.0
81.03437	1.8
85.02944	4.9
87.00867	3.6
89.02448	3.8
94.98076	21.6
95.01376	1.3
96.96001	11.7
97.02916	2.2
99.00851	1.8
101.02446	6.2
106.98058	4.3
113.02418	3.4
119.03442	1.5
122.97566	4.9
125.02438	4.4
127.03973	2.4
134.97519	7.2
135.04486	5.3
136.99158	1.6
148.99135	8.8
152.98590	8.2
161.02512	2.4
161.04604	2.8
164.98601	14.6
176.01398	1.3
178.32410	1.2
179.05609	1.9
182.99648	1.6
206.99673	2.7
225.00716	21.8
255.23116	2.9
277.21695	1.4
323.09811	7.6
334.63803	1.3
359.07431	30.1
455.35214	74.7
456.35641	10.8
472.64722	1.1
559.25989	1.6
593.74042	1.4
671.39819	1.6
771.42297	1.9
779.45819	13.2
780.45691	2.2
815.48169	85.0
816.49115	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	815.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
58.60695	0.5
59.01375	1.0
63.96236	2.1
69.03435	1.2
69.52870	1.5
69.53304	2.0
71.01373	10.4
71.06719	0.5
72.89530	0.5
73.02943	2.2
78.98583	8.3
79.95258	1.0
79.95728	19.0
80.96506	100.0
81.03471	0.9
83.01331	0.5
85.02942	3.0
87.00877	3.4
87.99064	0.5
94.98074	22.5
95.01410	0.6
96.96008	1.9
97.02934	1.9
99.00815	0.7
101.02444	3.2
106.98074	4.3
113.02416	0.6
122.97585	4.2
125.02439	3.4
127.03950	1.0
134.97566	7.5
136.99107	2.0
146.97501	0.6
148.99112	8.1
152.98618	7.2
153.21060	0.5
164.98615	13.2
165.00012	0.8
167.00179	1.0
169.86475	0.5
179.00153	0.7
206.99631	3.1
225.00723	19.2
226.01010	0.6
228.55673	0.5
255.23267	1.5
275.18829	0.5
277.21689	1.2
283.04788	0.6
364.92722	0.5
537.27338	1.1
559.25702	1.8
577.54791	0.5
632.88190	0.6
685.43903	0.6
815.49683	93.3
816.50073	24.3
843.54858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68884	1.7
61.10258	1.9
61.98815	4.0
63.96224	2.5
70.10918	8.8
71.01371	9.6
78.98577	9.3
79.95726	15.5
80.96508	90.8
83.19687	2.1
85.02934	3.4
85.43596	1.7
87.00867	3.8
89.36188	2.0
94.98067	17.6
101.02391	4.1
106.98082	3.5
122.97524	5.2
125.02436	3.0
134.97536	8.3
136.48615	2.0
148.99136	4.2
152.98573	6.1
164.98619	9.8
176.57561	2.2
222.26465	2.2
225.00671	18.1
255.23286	2.8
395.63525	2.2
401.15182	3.0
464.30072	2.2
466.27356	2.0
537.77948	2.1
559.25861	3.1
665.43292	2.2
678.03699	2.7
733.50336	2.1
815.49701	100.0
816.49878	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	817.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
57.45594	0.5
58.80672	0.5
58.84876	0.5
59.01364	8.2
61.98812	0.6
70.61678	1.0
70.62043	1.0
71.01371	13.5
72.99301	0.7
73.02938	0.8
80.96482	0.7
83.01396	0.6
85.02942	14.6
89.02431	5.5
89.03953	1.1
89.12389	0.6
90.39256	0.5
93.03477	0.7
95.01373	6.9
96.95986	1.5
101.02434	2.6
103.04010	0.6
105.03454	1.1
107.05032	1.4
109.02914	1.0
113.02433	32.8
114.02770	1.1
117.03467	1.8
119.03497	1.1
119.05033	1.2
121.02963	0.7
123.04489	2.8
132.02176	3.6
133.02940	42.0
134.03732	20.3
135.04509	52.4
136.04854	1.6
137.02454	1.2
143.03424	1.2
147.04501	1.6
149.02332	0.6
149.06073	7.2
150.03209	0.9
153.05519	2.9
160.01636	8.1
161.02420	100.0
161.04582	2.6
162.02753	4.4
165.05598	1.0
174.03215	1.0
175.03972	9.3
176.04356	0.5
178.02597	1.3
179.03459	14.5
180.04074	0.6
186.19221	0.6
191.05574	1.1
193.05042	6.1
206.02107	0.9
233.04823	0.6
285.11267	0.8
297.09784	0.9
303.62192	0.5
311.09262	1.0
315.10846	2.2
415.50565	0.5
428.04459	0.5
461.16663	6.0
462.16684	0.7
500.50470	0.8
623.19330	4.6
624.20160	0.9
637.21893	5.2
638.21869	0.8
641.20526	2.4
642.23920	0.5
655.22308	39.9
656.22473	6.9
773.26825	0.6
785.23492	0.7
799.24396	11.5
800.24701	2.3
817.25439	27.9
818.25598	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	817.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.8
66.04973	0.7
68.42204	0.7
71.01385	7.0
73.34027	0.7
85.02943	7.9
89.02451	2.9
95.01389	3.4
101.02417	1.0
105.03434	0.9
109.02950	1.0
113.02441	15.2
117.03470	1.2
117.41228	0.6
121.02971	1.5
123.04520	1.2
132.02161	2.5
133.02945	42.8
134.03648	2.5
135.04514	22.7
137.02438	0.6
139.04099	0.7
147.04434	0.7
153.05579	1.7
161.02428	100.0
162.02756	5.0
163.03992	3.9
175.03941	0.7
179.03464	10.1
193.05031	3.0
194.02216	1.0
230.19890	0.8
243.74358	0.6
249.79837	0.6
297.07562	1.5
315.10709	1.0
461.16757	2.7
510.37344	0.7
623.19714	36.2
624.19781	5.2
634.24304	0.7
655.22198	4.5
734.59528	0.7
785.23029	19.2
786.23059	4.3
817.25671	6.0
818.26514	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.6
58.04279	0.3
59.01374	5.3
69.27022	3.1
69.27348	0.7
71.01369	5.8
72.99287	0.3
73.02938	0.4
79.05484	0.4
83.01385	0.3
83.41405	0.3
85.02930	6.3
87.00835	0.4
87.14614	0.3
89.02433	2.1
89.03948	0.5
89.70690	0.3
93.03400	0.3
95.01379	1.7
96.95991	0.8
97.06595	0.3
101.02433	1.3
105.03438	0.6
107.05014	0.6
109.02956	0.8
113.02433	13.4
117.03461	2.4
119.03538	0.5
119.05022	2.2
121.02879	0.5
123.04512	2.8
132.02142	2.0
133.02937	36.9
134.03812	3.5
135.04506	32.2
135.85172	0.3
136.04822	1.2
137.02425	0.7
143.03488	0.6
145.02936	0.9
147.04506	0.5
150.03177	0.8
151.03954	0.5
153.05568	2.9
160.01610	0.8
161.02420	100.0
162.02786	4.3
163.03996	2.4
165.05540	0.9
173.02339	0.3
173.28340	0.3
175.04022	2.3
178.02614	0.7
179.03479	10.5
180.03795	0.6
191.03481	0.4
193.05054	2.6
194.05359	0.3
201.01877	1.0
219.02991	1.2
223.13376	0.8
267.12375	0.7
271.98743	0.3
283.11945	0.9
297.10156	0.5
302.27081	0.3
315.10876	1.0
341.06717	1.6
342.06985	0.4
373.62637	0.3
431.13397	0.4
457.02576	0.3
461.16559	3.1
469.13788	0.6
549.19257	0.6
623.19727	23.6
624.20172	3.8
663.19275	0.4
697.10529	0.3
698.40845	0.4
785.22852	27.5
786.23096	7.6
817.25525	2.9
818.26434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.4
58.00592	1.3
59.01373	100.0
60.01798	0.6
69.03460	1.1
71.01375	47.1
72.99299	1.7
73.02939	36.2
74.03271	0.8
74.61532	0.5
75.22667	0.5
81.15916	0.5
83.01381	12.2
85.02939	12.1
87.00878	2.0
89.02436	24.4
93.03450	1.1
95.01371	3.7
99.00864	3.8
101.02433	43.5
102.02796	0.9
106.17307	0.5
113.02431	26.0
114.02767	0.7
119.03573	11.0
119.05012	50.8
120.05360	1.0
121.91357	0.6
125.02418	1.4
131.03513	3.9
132.10686	0.6
133.02855	0.6
135.04539	1.8
137.06082	2.5
143.03485	3.3
149.04529	6.2
155.03499	0.8
161.04532	11.8
173.04494	2.8
179.03496	1.9
179.05605	1.8
180.03833	1.0
191.05609	3.7
192.05910	0.8
203.05692	1.2
205.18295	0.6
216.57207	0.6
221.06577	3.8
224.93625	0.7
262.06274	0.6
281.10263	61.4
282.10666	4.0
298.90955	0.6
299.11310	10.0
341.12354	92.1
342.12714	7.7
353.08612	1.3
354.09018	1.0
355.09384	1.2
385.11081	0.8
429.44443	0.6
431.15613	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	817.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
61.94538	0.5
61.98821	25.0
68.99863	0.6
69.88514	0.5
71.01376	2.5
71.61190	0.7
78.95904	1.1
80.96492	1.3
85.02927	0.6
87.00864	0.6
89.02438	2.8
96.99305	1.7
97.02921	1.1
101.02438	2.5
110.36690	0.5
111.00847	0.5
113.02449	1.1
116.92922	0.6
125.02438	1.1
141.01689	54.8
142.02075	0.8
152.99631	0.7
175.02434	0.7
178.91112	0.5
179.05714	0.7
235.08237	0.8
277.21597	5.8
278.22186	0.7
279.34457	0.6
359.21869	4.6
369.37674	0.6
397.13379	10.3
398.14114	0.7
415.14575	1.9
419.11758	3.0
437.12631	4.1
439.72641	0.6
541.11835	0.6
631.42261	0.6
675.36456	0.8
697.33820	3.4
817.51245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
59.01371	100.0
60.01708	0.9
60.02216	0.3
61.98831	1.7
69.03452	0.4
69.61224	2.2
71.01368	2.7
73.02945	0.4
79.95731	0.7
80.96507	3.9
82.96099	0.9
85.02945	0.4
85.84710	0.3
87.00838	0.4
89.02428	2.1
94.98080	1.0
96.99332	0.6
97.02949	1.1
99.00852	0.5
101.02415	2.0
102.25326	0.3
113.02425	0.9
119.03460	0.6
121.02961	0.4
125.02445	1.2
129.92256	0.3
141.01682	54.3
142.02008	1.0
142.05090	0.5
143.03529	0.3
148.99089	0.5
152.98610	0.4
153.02960	0.3
161.04475	0.6
164.98604	0.5
178.23703	0.3
197.06712	0.3
225.00781	0.6
235.08173	0.7
243.04956	0.6
277.21738	5.5
278.22098	0.4
359.22021	5.3
360.22086	0.5
397.13425	11.6
398.13776	0.9
403.97937	0.4
412.30875	0.3
415.14575	1.9
419.11432	2.6
437.12711	4.3
438.13037	0.4
675.35913	1.3
697.33917	3.4
698.33539	0.6
816.49854	1.0
817.50513	4.7
818.50238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12047	14.7
58.87233	17.5
61.98819	60.9
71.62661	31.2
79.44854	14.8
91.74921	15.9
96.96016	28.9
112.17244	16.8
116.92873	14.8
119.05036	20.9
121.02927	29.0
137.20244	17.7
141.48195	17.6
145.02959	40.0
160.41747	19.1
164.08185	15.6
181.07071	34.6
213.24167	17.1
329.13956	100.0
617.38556	22.9
635.38892	28.4
777.76447	22.9
838.02148	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	818.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
58.00593	1.0
59.01372	63.3
60.01723	0.6
67.28550	0.5
69.03447	0.8
71.01373	31.9
72.14510	0.5
72.99307	1.1
73.02937	24.9
74.03307	0.6
75.00896	0.6
83.01376	8.7
85.02940	7.7
85.43551	0.5
87.00868	1.8
88.42566	0.5
89.02433	14.3
93.03421	0.8
95.01385	2.2
99.00890	0.9
101.02429	27.1
102.02770	1.0
108.02165	11.0
113.02432	16.8
119.03597	6.2
119.05009	33.8
120.05305	1.4
125.02403	0.8
131.03532	2.8
133.02834	0.6
135.04510	1.3
137.06047	1.6
138.01955	100.0
139.02362	2.5
143.03519	2.6
149.04538	4.8
155.03432	0.8
161.02460	0.9
161.04521	9.6
161.32616	0.5
179.03528	1.1
179.05464	0.9
191.05554	3.8
203.05624	0.7
221.06659	1.4
229.61935	0.7
281.10254	37.1
282.10519	2.9
299.11292	6.5
300.11823	1.2
337.09351	0.9
341.12347	49.8
342.12698	5.9
411.11969	0.6
481.15897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35913	0.1
60.06674	0.1
61.98822	100.0
62.98524	0.2
71.61229	0.2
78.95918	0.2
99.87656	0.1
134.04417	0.1
142.87781	0.1
246.43251	0.1
256.79010	0.1
353.72327	0.1
399.29785	0.2
452.44376	0.2
471.35056	0.4
631.14679	0.2
805.28687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98819	2.3
63.02407	1.9
65.00336	1.5
69.27114	4.3
69.27521	0.9
79.01903	0.4
83.01405	1.0
85.02956	0.6
85.36413	0.4
87.47261	0.4
88.98811	0.6
90.98602	1.8
93.03473	1.3
96.96008	1.1
101.02461	0.7
105.03475	0.5
107.01371	2.8
108.02215	1.2
109.02961	1.8
113.02450	0.8
117.03468	0.8
119.05027	1.3
121.02970	2.2
122.03768	2.2
123.04530	2.0
125.02370	0.5
132.02203	1.8
133.02953	11.4
134.03781	3.1
135.04526	6.2
136.40279	0.5
137.02428	0.7
145.02962	1.2
146.03717	0.6
147.04494	0.8
149.02429	4.8
149.06097	1.0
150.03218	12.5
151.00372	5.1
151.03999	2.2
151.07402	0.5
153.01862	0.6
153.05602	0.6
160.01669	4.4
161.02440	8.4
162.02811	1.3
164.04747	0.6
165.01996	0.5
165.05547	6.9
173.02402	1.1
173.04562	1.2
175.03972	4.8
176.04260	0.5
177.01897	1.0
177.05508	0.6
179.03482	4.6
179.07185	0.5
180.04222	1.0
185.06061	0.8
193.05069	1.3
195.06581	0.8
197.06033	0.7
197.08080	0.5
199.03993	3.1
201.01967	1.0
207.11859	0.5
211.03973	0.8
213.05687	0.5
214.18698	0.5
215.03415	0.9
217.05002	1.4
227.03459	1.0
230.36021	0.5
240.04242	0.5
241.05028	0.8
243.03033	1.0
255.02959	13.4
256.03671	3.7
269.04529	0.6
283.02487	6.1
284.03232	50.8
285.04001	100.0
286.04358	7.1
297.03802	2.3
298.04819	0.9
299.05551	14.8
300.05899	1.1
313.03494	4.2
314.04117	0.5
323.07516	1.2
327.05011	1.7
549.64648	0.5
621.12488	1.3
622.13220	7.4
623.13922	20.5
624.14380	3.2
627.16754	0.6
637.15576	0.9
677.14612	3.0
771.19165	3.9
772.19391	0.8
783.18970	1.1
801.20428	9.3
802.20258	1.9
819.21228	35.8
820.21307	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	819.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.6
58.00595	1.6
59.01089	2.6
59.01374	46.7
62.15808	1.2
67.10175	1.2
69.03445	5.1
71.01376	37.6
72.99301	89.6
73.02946	7.6
73.99651	1.9
75.00858	1.6
76.15961	1.2
79.94505	1.2
83.01392	3.1
85.02946	13.4
87.00862	5.7
89.02434	35.2
93.03448	4.3
95.01365	1.6
97.02930	3.5
98.19810	3.1
99.00884	11.3
101.02431	23.6
102.59058	1.4
109.02972	1.7
112.01635	1.5
112.52812	1.2
113.02444	25.7
117.03423	1.8
119.03510	9.9
119.05030	1.3
121.02918	7.2
122.03727	7.9
123.04513	17.3
125.02460	2.4
129.01910	2.9
131.03458	3.5
132.02188	6.6
133.02914	3.9
134.03728	49.6
135.04515	83.6
135.38634	1.4
136.04868	3.0
137.02414	5.7
138.02759	1.4
139.03995	1.8
143.03456	2.3
149.02428	13.7
149.04604	4.0
149.06058	11.7
150.03214	40.1
151.03644	1.6
153.05568	11.3
160.01651	22.2
161.02504	6.8
164.04781	2.4
165.05544	28.5
173.04538	4.7
175.03975	22.3
178.02704	14.9
179.03453	4.7
180.04256	3.1
191.05606	3.9
193.05032	38.3
194.05499	1.9
195.06624	9.5
239.06990	2.8
252.07921	1.3
282.08923	3.7
297.09683	3.6
311.27811	1.5
315.10800	52.8
316.11206	3.8
341.10361	6.3
357.11819	4.4
370.08698	2.2
371.11008	1.5
389.12506	4.7
411.13071	1.4
429.13959	100.0
430.14270	9.3
447.14996	57.4
448.15292	7.8
559.42767	1.4
623.19775	80.4
624.20142	11.9
677.20563	3.6
771.24945	5.0
819.27277	22.5
820.27869	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	819.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.1
59.01371	39.0
61.90420	1.1
69.03432	4.3
71.00984	2.0
71.01372	30.9
72.99300	67.1
73.02949	6.7
83.01365	3.4
85.02949	11.9
87.00860	4.7
89.02431	29.7
89.03954	1.1
93.03439	2.8
95.01366	3.3
97.02945	2.3
99.00863	9.6
101.02439	19.8
101.12930	1.0
107.04998	1.7
111.04517	1.2
113.01705	1.2
113.02439	16.8
115.00166	1.1
117.03458	1.4
119.03487	6.9
121.02931	4.3
122.03731	7.1
123.04514	14.2
125.02364	1.3
129.01964	2.2
131.03474	3.1
131.90367	1.0
132.02158	5.6
133.02924	5.1
134.03725	39.9
135.04515	65.9
136.04848	3.0
137.02437	6.8
139.03976	1.3
144.91876	1.1
149.02443	10.7
149.04533	4.8
149.06046	10.0
150.03207	45.5
151.03816	1.7
153.05544	9.8
160.01625	21.8
161.02435	6.1
165.05545	28.0
173.04521	3.0
175.03966	24.5
178.02686	16.7
179.03421	3.0
180.04247	2.8
191.05534	2.8
191.25227	1.2
192.90987	0.9
193.05019	36.3
194.05461	1.2
194.58609	1.1
195.06641	5.7
244.84135	1.1
297.09885	1.9
315.10809	38.6
316.11066	2.4
341.10114	1.1
354.34833	1.1
357.11850	3.6
370.08832	1.9
372.88086	1.3
389.12427	1.9
411.12909	1.6
429.13928	77.4
430.14105	6.5
447.14990	83.4
448.15311	6.5
473.12921	1.5
490.96793	1.2
623.19714	100.0
624.20142	18.4
677.20905	2.1
735.03033	1.2
771.25012	3.4
819.27191	12.9
820.26849	4.8
830.70740	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
61.98817	1.8
63.55762	0.5
67.99852	0.4
69.57229	3.1
71.01386	1.8
73.02960	0.8
89.02439	1.7
89.03932	1.0
93.03455	1.2
94.85328	0.4
96.95996	3.1
99.00877	0.7
101.02422	1.2
106.04208	0.7
113.02452	0.5
117.03436	3.3
119.05019	0.7
121.02943	4.6
122.03717	3.9
123.04523	0.6
127.81210	0.4
132.02187	2.5
133.02937	1.5
134.03725	74.6
135.04124	2.0
135.08061	0.4
136.01654	1.1
137.02452	4.5
137.32004	0.4
139.03995	1.4
144.99763	0.5
147.04456	0.8
149.02431	9.2
149.06064	12.1
150.03203	32.9
151.03566	1.4
160.01637	10.7
161.02213	0.6
163.03981	0.5
164.04761	1.8
165.05542	31.4
166.05855	1.2
175.03969	10.4
178.02696	13.6
179.03275	0.6
180.04295	2.4
191.05603	0.5
192.04254	0.6
193.05023	100.0
194.05376	4.1
195.06581	15.0
196.06769	0.6
213.14877	0.7
221.05916	0.6
239.07057	0.9
250.06300	1.2
259.15704	0.6
267.06680	0.6
282.08978	2.8
285.03961	0.5
341.10245	11.9
342.10544	1.1
371.11276	10.5
372.11694	1.1
389.12360	11.4
390.12540	0.7
597.56415	0.5
623.26996	31.2
624.27228	4.8
771.11841	0.5
819.47192	4.4
820.46716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
59.47400	0.4
59.84790	0.3
61.98826	1.0
64.19225	0.3
71.01382	2.1
73.02954	0.8
85.02936	1.1
86.08299	0.3
87.00884	0.5
89.02441	0.5
89.03954	0.6
93.03452	2.7
95.01373	0.6
96.96008	1.1
98.13644	0.3
100.69060	0.4
101.02439	1.0
105.03455	0.4
106.04226	0.7
113.02421	0.8
117.03462	3.0
119.04983	0.7
121.02943	13.0
122.03743	5.8
132.02139	3.2
133.02945	2.2
134.03726	80.9
135.04396	2.6
136.01675	0.8
137.02434	4.7
139.03981	1.7
147.04524	0.9
148.01698	0.5
149.02425	17.5
149.06059	13.4
150.03209	41.3
151.03552	1.5
153.05580	0.6
160.01643	10.1
160.02991	0.5
161.02301	0.4
161.04442	0.5
164.04774	4.0
165.05548	42.0
166.05881	1.7
174.01755	0.4
175.02571	0.5
175.03976	12.5
176.04393	0.4
178.02679	16.6
179.03313	0.7
180.04251	2.9
192.04285	0.8
193.05028	100.0
194.05365	4.2
195.06598	18.8
196.06921	0.6
205.06477	0.5
221.06015	1.4
223.07620	0.6
229.11131	0.4
233.06065	0.9
234.06812	0.7
235.07660	0.8
238.06361	0.6
239.07066	2.6
249.05522	0.4
250.06322	3.0
251.06892	0.9
253.08707	1.1
254.09424	0.8
267.06702	1.8
282.08936	9.2
283.09378	0.5
285.03967	0.5
294.05368	0.4
297.07944	0.5
297.11050	0.9
325.98373	0.4
326.07947	0.7
341.10226	33.6
342.10587	3.3
371.11295	10.2
372.11618	0.9
389.12363	30.4
390.12668	2.7
623.26996	26.9
624.27228	4.1
771.31927	0.4
783.44373	0.4
819.33862	2.4
820.34637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98815	0.1
71.01357	0.2
71.61653	0.2
73.02942	0.2
78.95902	1.1
79.88954	0.1
79.95730	3.6
85.02959	0.1
96.96001	100.0
97.95942	0.3
99.00903	0.1
101.02411	0.5
113.02430	0.2
121.02955	0.1
131.03488	0.1
135.04492	0.2
153.05585	0.2
161.04495	0.1
227.87149	0.1
257.33701	0.1
499.11966	0.3
624.92267	0.1
721.37805	0.5
722.38354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90579	2.2
59.01378	11.8
61.98825	16.0
69.11967	1.9
71.01363	9.4
71.62354	2.3
83.01376	2.5
85.02936	4.8
88.98786	2.1
89.02423	3.9
90.93784	2.2
96.96001	32.5
101.02412	8.7
110.69447	2.2
113.02382	3.2
123.04549	2.7
124.56396	2.0
133.02928	5.9
134.03720	3.6
135.04507	7.0
137.51363	2.4
147.25481	1.9
149.02393	2.4
161.02425	15.3
162.02771	2.5
164.04747	2.7
179.03494	4.1
193.05063	4.5
223.06000	4.8
255.07506	2.2
265.06607	2.0
269.04611	2.0
280.18857	2.1
354.04486	2.4
456.47083	2.0
457.42542	2.1
535.28296	1.8
783.26984	5.5
783.45435	19.5
784.26813	2.7
784.46124	3.4
819.43042	100.0
820.43439	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37590	0.6
59.01369	2.7
60.27454	0.7
61.98824	2.4
62.19938	0.6
62.44531	0.6
69.29629	4.4
69.30037	1.5
71.01379	3.8
72.99307	0.6
73.02939	1.2
83.01375	0.6
85.02956	2.1
89.02435	1.1
93.91864	0.6
96.96005	5.3
98.95624	0.7
101.02448	3.4
112.62821	0.8
113.02416	1.7
128.55431	0.6
133.01857	0.5
133.02937	0.8
135.04485	1.0
135.23260	0.6
161.02454	0.8
161.04572	1.2
179.03520	0.7
182.46141	0.6
184.60075	0.6
210.34224	0.6
300.99924	0.6
339.89612	0.7
348.40179	0.8
387.49875	0.8
479.53406	0.7
506.37473	0.8
540.49579	0.6
553.86139	0.6
589.81854	0.9
641.39410	0.8
781.47491	3.2
782.46918	0.9
783.48608	6.1
819.46539	100.0
820.46851	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	6.5
61.98825	19.6
63.96311	2.4
66.60314	2.4
69.41769	18.6
71.01355	8.9
72.65965	2.5
85.02976	2.6
89.02430	4.0
96.95982	15.8
98.20629	5.0
101.02435	4.0
113.02386	4.5
126.58294	2.3
133.53784	2.6
134.03720	7.6
135.04489	8.7
136.79675	2.4
137.02400	3.2
149.02377	2.8
161.02455	4.6
164.04665	3.1
179.03510	3.2
193.04921	4.1
315.24866	2.7
447.89151	2.4
465.53506	2.7
612.22577	2.5
612.36029	2.6
621.60919	2.7
624.00464	2.5
819.46454	100.0
820.46912	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	820.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
77.41135	0.1
83.69864	0.1
88.95576	0.2
96.05618	0.1
115.92763	0.2
136.01698	0.2
151.04054	0.3
277.21594	0.2
357.13385	0.2
358.13724	0.2
358.45917	0.2
359.13925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.9
59.01421	1.6
60.99079	0.5
60.99295	2.1
65.00346	0.7
67.01881	3.6
67.71519	0.5
69.03457	3.0
69.16875	0.5
69.28397	2.5
69.28818	1.6
69.41767	0.4
71.01362	2.7
72.99351	0.7
74.25069	0.4
81.03484	1.0
83.01435	0.5
83.05067	0.6
85.02991	1.2
87.00875	8.4
89.02482	1.0
93.03448	43.9
94.03812	1.0
95.01414	0.5
99.00933	1.1
99.04573	0.9
99.45750	0.5
101.02498	0.7
107.01440	1.4
108.02235	0.5
108.95068	0.5
109.02993	1.5
111.04507	7.0
113.02486	1.9
116.49854	0.4
119.05042	0.8
120.99689	0.5
121.02948	2.3
123.01002	0.6
123.04537	0.5
124.01701	1.0
129.02000	1.6
129.09883	0.5
133.02948	3.4
134.03815	0.9
135.00877	0.8
135.04504	3.3
136.01662	0.5
137.02481	1.3
139.04044	0.8
139.11334	0.8
145.06630	0.5
148.01706	0.8
149.02426	0.6
150.03250	0.8
151.00346	6.9
151.04037	1.3
152.00920	0.6
155.03528	1.9
161.02426	11.9
161.03673	0.8
162.02759	0.5
163.00375	1.0
165.05554	0.6
168.74553	0.4
169.01530	0.5
173.04529	27.4
174.04929	0.6
175.03999	0.6
178.99850	4.0
179.03525	2.0
183.10168	2.1
191.05583	7.6
191.07129	0.7
193.05060	0.9
226.02724	0.8
227.03525	1.5
229.05086	0.7
243.02933	6.4
245.04572	1.1
254.02222	1.2
255.02922	17.2
256.03271	1.1
271.02435	32.7
272.02933	2.8
273.03986	0.7
283.02463	1.3
299.01984	0.9
300.02707	71.3
301.03436	36.1
302.03622	2.6
323.07828	0.9
357.10156	2.1
357.15482	64.4
358.15811	3.5
413.14487	2.2
431.15582	1.0
449.15387	0.5
463.08582	100.0
464.08926	11.6
473.16760	1.1
539.09393	0.5
623.19464	1.1
785.25031	2.3
821.23517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.3
61.98826	3.6
71.01368	1.0
71.62648	0.3
73.02928	0.3
78.95918	0.2
79.95730	7.2
80.96521	0.3
85.02922	0.4
85.83270	0.2
89.02435	0.9
93.03481	0.5
95.95213	0.7
96.96000	100.0
97.95951	0.3
100.19934	0.2
101.02436	0.8
110.97558	0.8
111.00871	0.7
113.02422	0.3
121.02951	1.2
127.07655	0.3
131.30258	0.2
133.02899	0.4
134.03734	1.0
135.04485	0.6
135.08217	0.3
137.02438	0.4
148.18021	0.2
149.06107	0.3
150.03174	0.3
151.04019	0.3
153.01889	0.3
153.50861	0.2
160.01660	0.3
161.02388	0.7
165.05528	0.3
171.10229	0.3
175.04037	0.4
179.03517	0.4
193.05016	1.3
195.06499	0.4
212.53816	0.2
225.11275	3.0
241.00311	0.6
251.06863	0.2
271.09818	0.3
287.05933	0.6
305.07013	2.6
306.07150	0.2
307.07932	0.3
328.37357	0.2
341.10172	0.2
347.08026	0.3
353.10400	0.4
356.12680	1.2
371.15005	0.5
377.09167	0.6
389.08691	0.3
449.11127	3.3
450.11447	0.5
488.34418	0.6
597.17590	0.3
694.26758	0.2
785.44641	0.4
820.42474	0.3
821.26849	27.7
821.40576	1.2
822.27179	6.4
822.42975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	3.2
61.98820	100.0
69.29694	20.3
69.30103	6.0
72.93356	2.8
78.95886	4.7
85.47877	2.5
94.66690	2.9
96.95985	12.7
98.20692	4.7
100.18776	2.9
135.04521	4.2
147.92122	2.6
161.02370	6.4
174.11897	2.7
179.03494	3.8
357.04562	2.9
368.49127	2.8
382.12039	3.1
444.01517	3.6
487.33939	7.1
488.34555	4.7
655.22705	2.9
785.39612	11.3
786.38934	4.7
821.37616	15.3
821.54755	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	821.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
58.00564	0.2
59.01370	2.2
60.99293	0.6
67.01881	4.1
69.03442	2.3
70.75446	0.6
71.01374	3.9
71.05022	0.3
72.99298	0.8
73.02922	0.3
75.07023	0.2
81.03455	0.9
83.01454	0.3
83.05011	0.9
85.02927	0.9
86.85081	0.3
89.02441	0.4
93.03444	24.3
94.03783	0.6
99.00883	0.3
100.52270	0.2
101.02454	0.4
109.02933	1.0
111.00869	0.9
111.04501	4.3
111.08177	0.4
113.02441	1.0
119.05004	0.3
123.73234	0.2
127.04001	0.4
133.02911	0.5
135.04489	1.8
136.01646	0.4
137.02428	4.7
139.11275	2.0
149.02406	0.2
151.03966	0.7
155.03465	4.3
161.02390	1.3
165.05516	0.4
173.04518	100.0
174.04868	3.6
179.03383	0.3
183.10222	8.0
184.10530	0.5
185.11731	0.3
271.02713	0.3
300.02731	0.4
301.03497	0.5
357.15485	50.3
358.15875	4.8
413.14499	0.9
431.15405	0.7
463.08676	1.1
473.16553	0.3
672.84601	0.2
785.24469	0.5
821.24896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08256	0.4
61.98814	1.4
69.45932	3.1
74.39062	0.5
78.95908	1.0
79.04847	0.4
96.96031	0.8
98.20573	0.9
101.38258	0.4
152.43030	0.4
152.99547	0.7
166.46806	0.4
229.63130	0.4
232.46269	0.4
233.48563	0.4
244.25735	0.5
277.21661	0.6
293.21402	0.5
469.33145	100.0
470.33496	14.5
821.40894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
59.01371	10.9
61.98824	100.0
67.01894	1.7
68.99801	2.6
69.03445	1.1
71.01376	8.3
71.62648	0.5
78.00826	0.4
85.02937	9.3
88.98822	0.5
89.02436	3.7
93.03445	5.3
95.01377	4.2
96.95998	1.4
99.00886	0.6
101.02426	4.2
101.99862	0.4
107.05033	1.8
111.00860	9.2
111.04530	3.9
113.02435	19.7
119.03499	1.4
119.05045	1.5
121.02953	1.3
125.02393	0.6
126.85571	0.4
127.03963	3.0
135.04514	5.8
137.02446	3.6
137.06096	1.1
139.00357	4.5
139.71124	0.4
143.03506	0.6
145.02980	0.7
149.02448	0.8
151.04022	0.6
151.07660	0.9
153.05577	3.1
161.02426	2.1
161.04559	4.6
163.03975	7.4
165.01909	1.3
177.05557	2.7
179.03429	2.4
179.05614	1.4
189.01917	2.0
195.06604	6.5
199.12703	0.5
207.03044	2.2
221.04758	0.7
239.05608	0.9
273.07596	4.6
274.08151	0.6
275.05673	2.5
307.08182	10.7
307.11597	0.6
308.08615	1.0
310.21970	0.5
315.08606	4.3
316.09088	0.5
333.09750	2.8
343.08307	1.5
357.10013	0.9
375.10791	9.6
376.11145	0.6
435.12708	5.3
436.13251	0.7
461.90207	0.5
594.85181	0.5
597.18225	0.5
623.18616	0.8
699.21295	0.9
745.00848	0.5
759.23444	23.5
760.23425	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	823.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
67.01883	1.1
69.03455	1.3
71.01376	0.9
71.01937	0.6
71.95370	0.3
72.66782	0.3
78.59186	0.2
81.03455	0.5
83.05006	0.9
84.02278	0.3
85.02930	0.4
93.03445	6.2
93.03996	0.5
94.03799	0.8
95.01318	0.3
109.02966	0.4
111.04514	3.2
113.02464	0.5
127.03976	0.4
133.02940	0.6
134.03696	0.2
135.04483	1.0
137.02431	1.0
139.11302	2.6
155.03494	3.6
161.02377	1.5
173.04536	17.7
174.04890	4.1
175.04999	1.9
179.03503	0.4
183.10214	1.0
185.11816	100.0
186.12158	5.0
255.03101	0.3
271.02386	0.4
300.02798	0.5
301.03360	0.6
357.15448	3.9
358.15875	3.6
359.17041	53.4
360.17395	5.0
463.08826	1.3
823.26538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	22.7
61.98825	2.8
69.29166	3.3
71.01376	6.6
72.99301	0.4
73.02938	1.1
77.51918	0.3
83.01373	1.5
85.02952	2.7
87.00846	0.7
89.02435	4.0
99.00877	0.8
101.02435	15.5
102.02828	0.4
107.04138	0.3
113.02443	2.4
116.92879	0.7
117.59696	0.3
119.03486	2.8
131.03496	2.2
149.04503	0.6
161.04546	1.1
191.05548	1.8
212.86986	0.3
218.94029	0.3
233.06529	0.9
293.08661	0.5
387.43073	0.4
471.34717	100.0
472.35059	16.4
472.41949	0.4
485.36356	3.7
486.36362	0.7
513.35773	5.6
514.36096	1.2
543.37109	0.5
603.39911	1.6
604.40149	0.6
645.39911	3.0
646.40442	0.5
687.41199	3.9
688.41364	0.9
765.44275	8.8
766.44275	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	825.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.2
67.18940	0.4
71.01373	7.4
72.99293	0.5
73.02921	1.0
82.95396	0.6
83.01394	1.1
85.02948	1.7
89.02436	4.1
98.20750	0.9
101.02425	17.1
113.02426	1.4
119.03487	3.2
124.17207	0.4
124.36150	0.4
125.46227	0.5
131.03458	2.9
149.04538	1.2
191.05589	2.1
218.16190	0.4
233.06644	0.7
235.94734	0.4
405.31631	0.5
411.32678	0.8
440.13815	0.5
449.78235	0.5
453.33713	4.4
454.33945	0.7
467.34641	0.5
471.34708	100.0
472.35028	16.3
485.36176	4.4
487.09946	0.4
513.35687	6.5
514.36218	1.3
543.37061	1.0
603.38928	2.2
615.22552	0.5
645.40198	3.8
646.40125	0.8
687.40948	5.1
688.41504	1.1
765.44116	9.9
766.44824	2.7
777.34119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	87.5
69.63694	54.2
71.29651	100.0
74.77436	58.8
136.58150	55.3
138.19255	58.0
192.02974	69.7
263.60251	64.8
277.21820	88.9
380.22247	62.9
432.65228	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	82.1
68.41321	79.5
71.61947	100.0
87.06905	65.0
88.09844	67.1
112.38017	66.3
327.59592	74.2
541.51160	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	19.8
60.08052	1.0
61.98832	8.0
69.50888	1.2
71.01373	34.9
73.02943	13.3
75.00878	2.2
76.09078	1.1
79.72835	1.1
83.01369	8.7
85.02939	18.9
87.00839	1.1
89.02441	7.5
95.01382	4.1
96.96007	6.2
97.02952	1.2
98.20620	3.5
99.00881	5.0
101.02434	27.3
101.08869	1.4
113.02434	16.6
125.02422	2.8
134.03709	1.6
159.02968	2.2
161.02454	1.3
161.04529	8.2
175.88289	1.2
193.05031	2.1
206.45905	1.1
221.06573	1.3
259.49573	1.2
291.36261	1.1
310.76349	1.1
603.42358	3.5
765.47827	100.0
766.48206	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	825.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	20.0
61.98817	4.8
71.01376	44.3
71.62017	1.3
71.63065	1.0
73.02941	12.6
75.00843	1.3
80.65582	1.0
83.01386	8.9
85.02935	19.6
87.00868	2.8
88.98804	2.9
89.02423	11.7
95.01367	3.4
96.96008	2.1
97.02940	1.6
99.00877	5.5
101.02435	29.7
113.02432	18.8
115.54138	1.2
119.03484	3.5
125.02444	2.2
133.03006	1.1
134.03702	2.3
135.04533	1.8
143.03502	3.0
159.02977	2.0
161.02402	1.1
161.04527	10.9
193.05066	1.6
550.87885	1.3
603.42816	7.1
618.67542	1.1
663.38727	1.9
765.47797	100.0
766.48083	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00554	1.1
59.01372	21.7
61.98825	9.0
69.03448	1.1
71.01370	43.6
71.41670	1.8
72.99313	1.9
73.02932	13.3
83.01373	5.6
85.02944	21.2
87.00854	1.8
89.02431	8.9
95.01371	3.8
96.96033	1.5
97.02926	1.8
99.00839	5.8
101.02431	32.1
111.00861	1.2
111.29100	0.9
113.02433	14.8
119.03513	1.5
122.70342	1.0
125.02442	2.3
131.03447	1.0
143.03522	2.4
159.02975	2.8
161.04520	14.1
179.05528	1.7
271.73026	1.0
282.55060	1.0
284.21103	0.9
349.93582	0.9
438.34872	0.9
603.42767	6.6
604.42511	1.3
765.47760	100.0
766.48022	23.1
766.62042	1.5
795.00629	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98817	0.9
65.00310	0.8
69.69441	1.4
69.69861	1.2
71.01374	0.6
83.01382	0.5
103.59719	0.4
106.58502	0.4
107.01376	2.1
108.02175	0.9
109.02935	1.2
121.02952	1.4
131.07144	1.9
133.02902	0.5
135.00792	0.5
135.04520	1.7
148.01620	0.5
151.00348	8.8
161.02385	2.0
162.07886	0.5
163.00343	1.6
169.01431	0.5
173.08174	0.6
178.99858	4.1
179.03455	0.7
183.10217	0.6
211.03992	0.8
226.02597	1.3
227.03433	1.2
243.02939	5.0
245.04471	0.9
254.02086	0.9
255.02942	17.2
256.03308	1.1
271.02432	35.8
272.02759	3.2
273.04025	0.9
283.02499	0.6
299.01898	1.0
300.02698	69.8
301.03421	26.7
302.04025	2.3
342.14859	0.5
410.97134	0.5
609.14478	100.0
610.14850	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	827.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.6
59.01370	25.8
61.98820	13.4
69.03448	1.2
70.82417	1.4
70.82752	1.4
71.01370	45.1
71.73418	0.8
72.01710	1.3
72.99309	2.2
73.02938	12.8
83.01378	7.7
85.02934	18.9
87.00886	1.9
89.02430	13.7
95.01379	3.0
96.96000	28.7
97.02948	3.1
99.00865	4.1
101.02429	36.1
111.00847	1.4
113.02433	14.4
119.03498	5.2
125.02434	3.2
131.03453	1.9
134.03743	1.3
135.04562	1.1
142.07901	1.0
143.03497	2.5
143.07970	1.0
145.02943	1.0
149.24695	1.0
159.02953	2.2
160.01476	0.9
161.02448	1.6
161.04552	9.0
163.03966	2.3
169.75310	1.0
175.03954	1.2
179.05673	2.0
221.06606	1.0
223.67017	0.9
320.66843	1.1
605.40527	11.9
606.40900	2.5
767.45746	100.0
768.46210	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	828.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.2
59.34883	0.5
69.42207	0.4
71.01373	6.6
71.61973	0.7
77.60026	0.4
83.01404	0.5
85.02945	8.9
89.02421	1.4
89.03981	0.5
95.01374	3.1
96.95995	0.9
99.00890	0.5
101.02458	1.0
105.03452	0.9
107.05045	0.7
110.31604	0.5
113.02433	14.9
115.01918	0.5
117.03453	1.5
123.04516	0.6
132.02150	3.8
133.02943	56.5
134.03828	3.6
135.04509	10.7
136.04826	0.9
143.03577	0.5
161.02425	100.0
162.02785	4.9
179.03456	6.5
193.04997	2.1
254.04494	2.3
282.04044	5.1
283.04724	2.8
284.93808	0.5
293.93555	0.4
297.06421	4.1
298.07132	0.9
310.03494	1.2
312.08594	1.1
315.07745	0.5
325.05847	2.0
326.06509	1.4
340.08191	1.1
400.65753	0.6
623.19110	1.6
636.15265	0.5
651.17548	1.1
666.20264	10.8
667.20752	1.9
728.64258	0.5
793.32971	1.4
828.23431	36.7
829.23773	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	828.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
61.98822	100.0
62.98530	0.2
70.89828	0.2
71.01384	0.4
73.02936	0.1
85.02953	0.2
96.96013	0.3
101.02442	0.3
113.02433	0.1
119.03452	0.1
134.03780	0.1
135.04509	0.1
135.80394	0.1
161.02539	0.1
193.04950	0.1
328.72455	0.1
379.52618	0.1
471.34756	0.5
472.35367	1.0
473.35345	0.7
474.35767	0.6
475.58670	0.1
648.28448	0.1
768.45776	0.3
828.43518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
60.93699	0.1
61.02399	0.1
61.43377	0.1
61.98824	100.0
62.98534	0.3
71.01390	0.2
71.61929	0.1
71.62246	0.1
73.02960	0.1
80.65800	0.1
83.56490	0.1
88.98809	0.3
89.02431	0.1
96.96017	0.1
101.02472	0.5
113.02465	0.1
134.03798	0.1
149.02502	0.1
161.02452	0.3
180.32268	0.1
227.05331	0.1
254.13412	0.1
321.87488	0.1
329.41064	0.1
352.19104	0.1
471.35001	0.4
472.35141	0.8
473.35281	0.8
474.35693	0.6
666.37207	0.2
768.44916	0.1
828.44324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.5
60.99291	0.7
61.47766	0.2
65.18105	0.2
66.72504	0.2
67.01878	4.6
69.03451	1.0
69.43848	1.5
71.01373	3.7
72.99287	0.3
79.53035	0.2
80.37109	0.2
81.03449	0.6
83.05010	0.8
85.02940	1.4
87.00848	1.0
89.02432	0.9
89.03942	0.4
93.03445	27.5
94.03791	1.0
95.01369	0.3
99.04526	0.2
101.02407	0.3
109.02927	1.2
110.61302	0.2
111.00852	1.0
111.04495	4.7
113.02416	0.5
115.39358	0.2
117.03449	1.8
121.25986	0.2
127.04002	0.5
134.03722	18.1
135.04086	0.3
137.02431	4.4
138.02621	0.2
140.48198	0.2
149.06053	1.5
153.09149	0.3
155.03484	3.6
163.52754	0.2
164.41415	0.2
173.04518	100.0
174.04846	3.3
175.51508	0.2
178.02724	0.4
179.05641	0.2
182.66624	0.2
191.05586	14.1
192.05867	0.6
193.05011	15.8
194.05394	0.8
197.08142	0.4
272.85718	0.2
367.10260	31.9
368.10532	3.1
406.65869	0.3
443.11920	0.6
495.31375	0.2
605.81494	0.2
818.35907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
62.64874	0.4
71.01374	0.9
81.02268	0.3
81.03468	0.4
81.28674	0.3
83.05022	0.7
85.02937	2.6
87.00864	0.6
88.82001	0.3
89.03949	1.8
93.03442	3.1
106.04244	0.4
111.04488	2.7
113.02451	0.9
117.03451	8.2
121.02949	0.3
127.03995	0.7
134.03725	88.4
135.04019	3.2
137.02403	0.6
138.05412	0.3
147.02898	0.6
149.06058	5.8
149.95293	0.3
155.03479	2.8
163.03873	0.3
173.04530	4.8
175.03958	0.4
191.05576	13.1
193.05023	100.0
194.05328	5.3
231.18768	0.3
264.21451	0.3
301.87119	0.3
315.90356	0.3
323.07703	0.9
367.10269	55.5
368.10626	5.4
434.31464	0.4
461.16782	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	829.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
67.01894	0.3
69.03455	0.3
71.01379	1.0
71.60929	0.3
73.02943	0.3
81.03461	0.4
83.05018	0.8
85.02945	2.1
87.00859	0.3
89.03960	1.6
89.13454	0.2
91.28766	0.3
93.03449	3.0
96.95992	0.4
101.02449	0.4
111.04517	2.8
113.02451	0.9
117.03448	8.4
117.57644	0.2
118.03784	0.4
121.02960	0.3
129.01907	0.5
133.02951	1.5
134.03725	87.1
135.03989	4.1
137.02412	0.9
149.02414	0.4
149.06068	5.9
150.06451	0.3
155.03511	2.6
163.03973	0.5
165.05435	0.3
173.04532	5.3
177.01822	0.4
178.02650	0.5
179.03468	0.4
191.05586	11.6
192.05896	0.6
193.05026	100.0
194.05357	5.5
212.30835	0.3
215.90636	0.3
337.09073	0.3
351.07004	1.3
353.08926	0.6
367.10284	53.3
368.10635	4.7
430.74658	0.3
453.20532	0.3
461.16904	1.2
536.00958	0.3
646.83118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21937	0.4
59.01369	4.3
70.77755	0.6
71.01380	7.6
72.99306	0.8
73.02930	0.5
83.01398	0.5
85.02946	7.0
89.02448	2.8
95.01368	2.8
96.96004	2.3
99.00864	0.4
101.02404	2.0
101.74255	0.4
103.63804	0.4
104.02637	0.4
105.03452	1.2
107.05027	0.6
113.02438	16.2
113.03244	0.8
113.68952	0.4
117.03476	0.8
119.03513	0.7
123.04513	2.7
132.02130	3.1
133.02943	47.2
134.03333	1.9
135.04517	21.0
136.04822	1.1
143.03528	0.7
145.02892	0.6
153.05588	2.0
161.02425	100.0
162.02756	4.2
179.03505	3.2
179.10710	0.9
216.02649	0.4
217.15352	0.4
284.05701	0.5
297.09756	1.0
315.10880	1.6
316.10965	0.7
424.77063	0.5
461.16592	5.1
462.16861	0.7
609.25366	0.5
623.17609	2.3
623.28479	3.6
667.25897	13.7
668.25989	2.7
785.30182	14.8
786.30652	3.1
791.27875	0.6
829.29163	15.3
830.29242	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	829.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
61.98821	0.8
66.83634	0.3
69.35955	2.2
69.36376	0.7
71.01378	8.0
73.02937	0.6
75.00867	0.3
83.01363	0.5
85.02941	6.5
87.00842	0.6
89.02425	2.9
95.01386	2.8
95.04998	0.4
96.96008	1.9
101.02438	1.8
105.03419	0.7
107.05025	0.5
109.02921	0.4
113.02443	14.3
113.03237	0.8
115.01888	0.6
117.03447	1.1
119.03522	0.7
123.04522	2.5
132.02150	3.7
133.02943	49.0
134.03221	1.7
135.04514	21.8
136.04787	0.6
153.05502	1.9
161.02426	100.0
162.02765	5.0
179.03458	3.1
179.10704	1.4
231.25517	0.3
297.09708	0.7
315.10809	1.6
337.19995	0.3
357.73123	0.3
461.16568	6.2
462.16879	0.5
570.76544	0.4
623.19458	2.3
623.28455	3.0
624.28040	0.8
667.25983	13.0
668.26306	2.3
745.36548	0.5
785.30133	13.2
786.30316	3.5
829.29138	16.4
830.29596	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	829.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.5
69.03452	0.9
69.52590	2.4
69.53005	1.1
71.01370	9.6
72.99306	0.6
73.02962	1.3
77.03947	0.8
81.03469	0.5
83.01376	0.6
83.38945	0.4
85.02939	9.3
87.00871	2.7
89.02438	5.9
89.03953	0.5
95.01400	2.5
96.96010	1.0
101.02426	3.5
103.03970	0.5
105.03393	1.1
107.05009	1.0
109.02936	0.7
113.02438	18.5
114.02731	0.5
115.01895	0.7
117.03407	0.9
119.03484	1.8
123.04539	2.5
125.02396	0.4
127.03980	1.4
132.02164	3.8
133.02940	50.7
134.03343	2.1
135.04506	28.4
135.11736	1.0
136.04791	1.1
139.00352	0.6
143.03554	0.6
149.02390	0.6
149.57375	0.5
153.05559	2.0
160.01611	0.5
161.02423	100.0
162.02756	5.2
179.03473	8.6
179.04947	0.9
179.10799	1.8
180.03830	0.7
206.84035	0.5
215.78580	0.5
218.76567	0.6
297.09805	0.8
297.26938	0.7
297.47513	0.4
315.10846	3.1
316.11093	0.7
443.15695	1.5
461.16620	4.8
623.19305	1.6
623.28137	0.7
667.25983	46.4
668.26300	8.2
785.30273	4.5
786.30603	1.2
829.29132	25.9
830.29559	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	829.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.9
71.01372	6.2
71.60652	0.2
71.63801	0.3
72.01715	0.3
73.02960	0.4
74.01614	0.3
77.03958	0.5
83.01362	0.3
85.02935	6.6
87.00860	0.6
89.02427	2.8
89.03950	0.5
93.03426	0.3
95.01373	2.3
95.05037	0.3
96.96016	0.6
99.04498	0.4
101.02420	1.5
105.03445	0.8
107.05019	0.4
109.02930	0.2
113.02436	13.7
114.02758	0.5
116.75130	0.3
117.03468	0.8
118.87666	0.3
119.03480	0.7
119.05002	0.5
121.02968	0.2
122.34962	0.3
123.04531	1.6
132.02144	3.2
133.02939	47.1
134.03307	1.6
135.04506	17.7
136.04805	0.6
137.06058	0.9
153.05556	1.2
158.76852	0.3
161.02420	100.0
162.02771	4.5
179.03477	3.2
179.10698	0.4
181.04996	0.3
297.09747	0.6
315.10825	1.9
345.09799	0.7
443.15546	0.6
450.29459	0.3
461.16580	10.7
462.16699	0.8
605.19043	0.4
623.19263	4.2
623.26398	0.4
624.20081	0.5
667.25977	14.2
668.26251	2.7
785.30090	15.9
786.30298	3.9
829.29089	11.9
830.29401	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	829.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	100.0
93.03410	26.8
103.96384	30.2
117.19438	24.7
144.02264	25.0
175.11641	26.0
229.27959	40.9
319.99384	25.9
330.43768	26.9
357.13376	41.1
371.14874	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98813	0.8
62.96402	0.6
70.34510	1.2
78.95897	100.0
85.77992	0.3
88.17973	0.3
88.98779	0.7
96.96950	9.1
97.34383	0.3
102.72088	0.3
105.01977	0.5
116.92908	0.3
118.02972	0.5
123.50121	0.3
132.04466	0.3
137.11865	0.3
138.89630	0.3
139.06580	0.3
139.86519	0.3
144.04572	0.6
145.05312	0.8
146.02455	0.5
148.04036	0.8
150.98015	2.3
152.99571	92.3
153.99898	1.0
158.06100	0.4
160.04039	0.5
171.00595	1.5
176.07133	2.2
186.01964	0.4
189.04236	0.6
202.05040	3.0
203.05821	3.5
204.02942	1.8
204.06648	3.5
208.09779	2.0
220.06024	1.4
234.07693	13.5
235.07993	0.9
260.91235	0.3
272.36548	0.3
277.21683	20.9
278.22037	1.6
372.14517	2.1
413.21082	3.3
414.21170	0.5
431.21927	8.9
432.22333	0.7
458.53894	0.3
496.13605	0.5
552.16364	8.5
553.16699	0.9
570.16949	0.4
726.85791	0.4
756.51782	0.3
830.38745	49.0
831.38971	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	831.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.4
59.01373	98.2
59.59529	0.8
60.01707	0.9
69.03460	1.2
71.01374	52.2
71.61121	0.8
72.99301	2.0
73.02938	26.7
77.06448	0.7
77.81283	0.8
78.95843	1.0
83.01377	7.5
85.02431	1.3
85.02941	20.8
86.03242	0.8
87.00858	2.3
89.02437	21.6
95.01361	5.8
97.02947	0.9
99.00861	2.9
101.02432	30.7
110.31461	0.8
113.02436	37.1
119.03632	6.5
119.05010	45.4
120.05327	1.3
125.02444	1.4
131.03496	3.3
137.06085	2.6
143.03474	3.2
149.04515	4.3
155.03503	1.0
161.04523	8.9
175.15472	0.8
179.05548	0.9
203.05594	0.9
281.10266	100.0
282.10535	6.7
299.11331	12.4
341.12354	61.8
341.18448	1.1
342.12704	4.7
445.16998	12.2
446.17645	1.8
463.50641	0.8
490.26288	1.0
502.05347	0.9
531.86407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.5
66.29610	0.5
71.01373	15.7
71.61723	1.2
72.01751	0.7
72.99318	0.8
73.02952	2.3
78.95915	1.0
83.01399	0.9
83.41960	0.6
85.02943	14.1
89.02435	6.4
89.03999	0.7
95.01371	5.2
96.15971	0.6
96.95981	2.8
97.02953	0.7
99.00880	0.8
101.02435	3.8
105.03452	0.7
113.02438	35.6
114.02765	0.8
117.03481	1.0
119.03498	1.6
123.04513	3.0
125.02458	0.8
132.02126	3.7
133.02945	52.8
134.03252	5.6
135.04512	36.5
136.04839	1.7
137.06100	0.6
143.03510	1.0
145.02946	1.8
153.05602	3.0
159.90558	0.6
161.02425	100.0
161.04572	2.9
162.02745	13.0
163.02890	2.7
163.11281	1.0
177.05632	0.6
179.03461	3.0
181.12329	4.1
183.13971	0.5
211.13361	0.7
225.11308	6.7
297.09787	1.9
315.10696	3.8
329.23309	3.5
422.69418	0.6
461.16541	14.1
462.16919	1.9
468.94125	0.6
501.00897	0.7
502.32141	0.6
623.19861	1.3
631.23907	0.6
669.27545	90.7
670.27942	17.2
793.27234	12.4
794.27185	1.8
795.27942	1.7
831.30481	19.0
831.47357	0.9
832.30389	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	831.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.5
66.29610	0.5
71.01373	15.7
71.61723	1.2
72.01751	0.7
72.99318	0.8
73.02952	2.3
78.95915	1.0
83.01399	0.9
83.41960	0.6
85.02943	14.1
89.02435	6.4
89.03999	0.7
95.01371	5.2
96.15971	0.6
96.95981	2.8
97.02953	0.7
99.00880	0.8
101.02435	3.8
105.03452	0.7
113.02438	35.6
114.02765	0.8
117.03481	1.0
119.03498	1.6
123.04513	3.0
125.02458	0.8
132.02126	3.7
133.02945	52.8
134.03252	5.6
135.04512	36.5
136.04839	1.7
137.06100	0.6
143.03510	1.0
145.02946	1.8
153.05602	3.0
159.90558	0.6
161.02425	100.0
161.04572	2.9
162.02745	13.0
163.02890	2.7
163.11281	1.0
177.05632	0.6
179.03461	3.0
181.12329	4.1
183.13971	0.5
211.13361	0.7
225.11308	6.7
297.09787	1.9
315.10696	3.8
329.23309	3.5
422.69418	0.6
461.16541	14.1
462.16919	1.9
468.94125	0.6
501.00897	0.7
502.32141	0.6
623.19861	1.3
631.23907	0.6
669.27545	90.7
670.27942	17.2
793.27234	12.4
794.27185	1.8
795.27942	1.7
831.30481	19.0
831.47357	0.9
832.30389	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	831.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	10.1
65.10961	0.4
71.01373	8.9
71.52491	0.5
73.02934	1.2
77.03973	0.5
83.01397	0.6
85.02943	8.6
87.00864	1.4
89.02439	5.1
93.03481	0.5
95.01371	2.4
95.05003	0.6
96.95982	0.8
101.02418	3.3
105.03431	0.8
107.05068	0.9
109.02961	0.9
113.02438	15.7
114.02757	1.2
117.03465	1.2
119.03509	2.0
123.04494	2.0
125.02451	0.5
127.03982	1.0
128.03453	0.4
132.02115	2.8
133.02937	51.0
134.03230	3.2
135.04509	23.4
136.04840	1.7
137.06071	1.9
143.03442	0.5
145.02940	1.0
147.34560	0.5
153.05553	1.9
161.02422	100.0
162.02760	10.0
163.02843	1.0
163.04102	0.8
163.11293	0.9
165.01938	0.6
179.03500	3.2
180.06650	1.8
181.12349	4.1
191.05573	0.6
199.96573	0.4
225.09303	0.6
225.11250	3.9
297.09796	0.5
315.10712	2.9
345.09848	1.2
372.18097	1.4
396.44940	0.5
443.15546	1.0
461.16446	1.9
462.16925	0.9
463.17068	0.8
605.06946	0.4
625.20386	0.5
668.26544	0.9
669.27521	43.6
670.27808	7.0
787.30640	3.0
788.30640	0.6
813.28522	0.6
831.30640	29.0
832.30939	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	831.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02689	0.3
59.01372	8.1
65.46535	0.3
69.65683	0.7
69.66094	1.1
71.01371	11.2
72.99303	0.4
73.02938	0.8
83.01399	0.4
85.02940	10.2
87.00868	1.0
89.02438	4.9
89.03948	0.3
91.53857	0.3
93.03467	0.4
95.01379	4.3
95.05018	0.7
96.96040	0.3
97.02951	0.3
101.02439	2.0
105.03470	1.0
107.05043	0.5
109.02945	0.3
113.02436	26.6
114.02742	0.3
117.03454	0.9
117.61980	0.3
119.03495	1.2
123.04510	2.4
131.03461	0.4
131.39828	0.3
132.02167	2.8
133.02940	48.5
134.03314	1.4
135.04507	30.0
136.04826	1.1
143.03462	0.8
144.51997	0.3
153.05557	2.0
160.01520	0.4
161.02423	100.0
162.02769	4.1
163.11264	0.8
179.03444	2.6
181.12355	2.0
225.11264	2.8
242.49368	0.3
297.09695	1.1
315.10764	4.3
316.11157	0.3
358.22513	0.3
419.74487	0.3
428.20581	0.3
461.16577	12.8
462.16824	1.4
544.99298	0.3
623.19812	2.5
624.19812	0.6
669.27545	53.2
670.27881	8.7
670.36908	0.2
831.30670	26.9
832.31110	7.6
832.43707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	64.7
62.83087	21.1
63.98178	24.1
75.19077	17.8
78.57545	21.1
78.95890	100.0
100.33350	22.3
111.25443	21.2
185.43851	20.2
241.01154	23.9
255.23157	62.9
277.21786	26.4
291.90616	22.7
571.38599	24.3
800.92444	26.9
831.49945	94.3
832.49426	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
59.11930	0.2
59.12234	0.2
60.01705	0.6
60.25608	0.2
61.98824	2.6
63.21087	0.2
66.06574	0.2
78.95915	0.7
87.92295	0.2
93.03457	0.6
96.18386	0.2
103.50596	0.2
121.02939	7.5
122.03745	0.2
135.04552	0.5
136.01683	0.2
151.03966	0.3
152.99619	0.2
163.04002	0.3
177.05544	0.2
255.23198	1.0
277.21625	0.5
356.12592	12.2
357.12909	1.0
371.14929	23.9
372.15256	2.1
831.50970	0.7
832.50470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	3.2
62.96372	0.6
67.52959	0.4
69.23476	5.1
78.95895	100.0
90.44390	0.5
96.95981	0.7
96.96947	9.4
98.19847	1.2
148.04028	0.7
150.97997	2.2
152.99568	97.0
153.99919	0.6
171.00618	1.8
176.03532	0.6
176.07123	2.3
186.01915	0.6
189.04192	0.5
193.64211	0.5
195.67209	0.6
202.05164	2.6
203.05893	3.1
204.02992	1.5
204.06570	2.7
205.07138	0.5
220.06111	1.2
234.07664	14.5
235.07930	1.0
278.84180	0.5
279.23233	27.8
280.23483	2.5
372.14594	2.3
415.22467	3.0
433.23517	8.3
434.23572	1.2
552.16272	6.9
553.16382	1.1
832.40332	54.6
833.40625	12.5
833.55151	0.9
850.24207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
60.01702	0.2
61.98821	100.0
62.98530	0.1
67.38196	0.1
69.39962	0.2
69.40378	0.5
94.89005	0.1
95.50585	0.1
98.20599	0.1
123.20785	0.1
314.57999	0.1
334.69333	0.1
341.75543	0.1
371.14917	0.1
373.15521	0.2
374.15619	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	835.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.2
63.40490	0.5
65.03946	0.5
67.01883	4.3
69.03457	1.0
70.17109	0.4
71.01376	6.0
72.99310	0.8
81.03431	1.1
83.05003	1.2
85.02940	1.3
87.00883	0.8
89.02436	4.3
93.03448	26.5
94.03785	0.6
101.02436	1.8
109.02948	1.2
111.00867	1.1
111.04507	4.6
113.02425	2.6
116.92840	0.5
117.03442	0.5
119.03497	1.3
121.10217	1.6
123.04514	5.9
125.02470	0.7
132.02208	0.7
133.02940	25.0
134.03775	4.6
135.04507	12.9
136.04845	0.7
137.02432	5.6
143.03432	0.6
147.43578	0.5
149.02496	0.6
149.06013	0.9
153.05563	4.8
153.09190	0.6
155.03471	4.0
160.01607	0.9
161.02426	100.0
162.02765	4.4
165.01909	1.7
167.03545	0.5
168.00674	0.6
173.04524	84.0
174.04907	3.1
175.03973	1.6
177.05583	0.7
178.02676	1.5
179.03473	4.6
179.05573	0.9
180.04222	0.8
183.10222	12.1
183.11826	1.0
184.10463	0.8
193.05016	4.7
194.05199	0.5
195.06564	1.3
197.08141	0.7
217.01350	0.4
221.04561	1.1
263.81000	0.5
273.12277	0.5
281.06635	0.8
284.03372	0.8
285.03943	1.5
315.10806	4.2
317.11499	0.8
323.07712	2.4
357.15491	36.8
358.15747	3.5
371.13077	1.7
387.10785	0.9
419.13440	1.4
447.09485	1.0
477.13947	92.0
478.14362	13.1
609.18030	1.1
659.44604	0.5
835.25659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00545	0.2
59.01373	0.7
67.01887	0.4
69.03422	0.3
69.89951	0.5
69.90354	1.0
71.01368	1.3
73.02950	0.3
81.03438	1.6
83.05022	0.8
85.02945	1.0
87.00854	0.3
89.02427	0.5
93.03446	4.8
96.50327	0.2
99.04505	100.0
100.04832	2.0
101.02458	0.3
111.04504	2.8
113.02440	0.9
127.03973	0.4
129.01872	0.4
135.04518	0.5
137.02406	0.6
151.07593	1.8
155.03482	3.2
161.02391	0.3
173.04512	11.6
174.04893	0.5
191.05579	2.3
195.06538	0.3
199.09726	23.1
200.09947	1.2
250.09483	0.3
273.09766	0.8
370.07513	0.3
373.14963	57.2
374.15320	4.4
375.12790	0.8
375.17047	0.4
461.16757	1.2
523.02289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.3
59.01374	100.0
60.01719	0.9
69.03446	0.3
69.28141	1.1
69.28571	0.7
71.01379	11.9
72.99308	0.3
73.02940	4.6
83.01378	2.2
85.02943	6.2
87.00900	0.5
89.02444	1.5
95.01394	0.8
95.05026	0.3
97.02989	0.3
99.00868	1.8
101.02438	9.1
107.20470	0.2
111.00919	0.2
113.02439	4.7
119.03495	0.3
121.21439	0.2
125.02444	0.2
127.04050	0.2
131.03542	0.3
133.02983	0.3
135.04523	0.2
143.03502	0.6
149.36946	0.2
159.02974	1.0
161.02502	1.1
161.04536	4.7
179.03539	0.3
185.11850	0.5
191.05544	0.2
195.76994	0.2
202.10318	0.2
269.10263	10.5
270.10654	0.3
311.11337	8.5
312.11838	0.5
347.17050	11.0
348.17328	0.9
355.10373	0.2
479.21304	8.9
480.21500	1.1
623.20099	0.5
673.23425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	0.9
59.01375	14.7
65.46287	0.4
69.03467	0.4
71.01373	8.7
71.61105	0.5
72.99306	0.7
73.02926	2.7
73.89750	0.4
83.01350	0.7
85.02943	2.1
87.00925	0.5
89.01910	0.7
89.02431	8.4
95.01368	0.7
95.05026	1.0
99.04498	0.8
101.02413	4.3
113.02451	3.2
116.82244	0.4
119.03481	2.5
131.72333	0.4
142.06943	0.4
161.02438	1.0
163.11252	2.7
173.04498	0.8
181.12318	23.6
182.12585	0.8
207.10233	1.4
223.13231	0.5
225.11282	58.8
226.11630	3.5
243.12448	0.7
267.12335	1.1
329.69797	0.4
405.17581	100.0
406.17947	9.4
459.03494	0.4
548.00452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
62.98525	0.2
67.80726	0.1
72.75541	0.1
76.15449	0.1
80.96494	0.7
85.58147	0.1
94.98109	0.1
164.98546	0.1
204.00899	0.1
225.00690	0.1
277.21863	0.1
278.22144	0.1
837.48303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.8
59.01374	38.7
71.01376	27.1
71.37862	1.2
72.99289	1.8
73.02934	1.2
81.03457	0.7
83.01381	1.5
85.02934	10.5
87.00866	1.8
89.02438	28.0
93.03426	4.4
95.01385	4.3
99.04507	52.8
100.04849	1.9
101.02432	12.3
111.04516	1.1
113.02440	21.0
119.03492	9.7
121.06564	1.4
123.04496	5.2
125.02472	0.8
126.96872	0.6
131.03514	1.6
133.02921	0.7
133.06548	0.8
135.04506	10.0
137.02417	1.2
143.03484	1.5
149.04497	0.7
151.07625	100.0
152.07990	5.4
155.03470	2.6
161.02444	0.7
161.04526	2.8
173.04521	11.5
174.04944	0.7
179.03464	1.5
179.05603	6.2
183.10315	0.6
191.05556	1.5
195.04774	1.2
195.06590	24.1
196.06979	1.2
199.09787	0.7
201.01688	1.1
201.11299	7.7
220.87329	0.6
315.10730	0.9
373.14890	1.2
375.06973	6.0
375.12830	57.4
375.16693	26.7
376.12842	4.7
376.17014	2.1
461.16553	43.0
462.16962	4.2
619.26318	0.7
787.91821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98814	1.4
63.02403	1.8
65.00332	1.2
70.17410	2.1
93.72668	0.6
96.95994	1.4
98.20583	0.5
107.01385	1.7
109.59407	0.5
115.43636	0.5
117.03434	4.2
124.80014	0.4
135.04552	0.6
148.01611	0.6
149.02425	1.0
151.00342	1.5
159.04474	1.2
161.02438	0.6
167.48407	0.4
169.06619	0.6
173.61664	0.5
183.04520	1.4
197.06099	1.2
201.05540	0.6
207.64944	0.5
225.05542	1.6
227.03389	0.7
239.03539	0.5
268.03717	12.3
269.04504	100.0
270.04822	7.0
277.21603	1.0
318.15094	0.6
371.93179	0.6
435.60162	0.5
465.78647	0.5
476.83514	0.5
508.13980	0.5
546.15656	0.6
556.95135	0.5
559.14624	0.7
577.15570	0.9
580.11835	0.6
837.36865	37.0
838.37231	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	837.411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	2.3
59.01374	45.2
60.30459	0.6
61.98826	9.0
68.99829	0.6
69.03441	2.8
71.01374	43.9
72.01694	0.7
72.99309	3.3
73.02930	7.7
78.95901	1.7
80.96508	0.6
81.03449	2.0
83.01377	8.2
85.02944	11.9
86.00076	0.8
87.00373	1.2
87.00867	14.5
89.02433	35.9
90.27451	0.6
95.01377	3.3
96.95995	2.3
97.02939	4.2
99.00868	2.3
99.04507	1.0
101.02428	36.0
102.02708	0.8
111.00852	1.4
113.02430	23.2
115.04021	0.7
119.03490	7.9
125.02425	11.9
125.09662	0.7
131.03499	5.3
135.04529	1.0
143.03499	5.5
149.04541	0.8
153.71214	0.7
161.02419	1.6
161.04523	11.0
167.03502	1.1
169.15532	0.6
179.03723	0.9
179.05576	11.4
203.05562	1.2
217.14473	0.7
221.06578	5.7
222.07057	0.9
235.08192	5.8
253.09279	7.7
263.07736	1.3
268.30008	0.6
277.21671	26.7
278.21973	1.8
287.07700	1.0
305.08807	1.4
323.09753	3.0
331.20154	0.6
365.10507	0.8
379.12433	2.1
383.11832	1.7
397.13434	39.0
398.13742	2.7
415.14514	16.7
416.14694	1.2
439.14453	0.9
449.12650	0.7
485.14856	2.2
559.18695	100.0
560.18994	9.0
577.19745	36.8
578.20038	4.7
675.36243	1.2
837.40686	5.4
838.42053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.4
59.01374	20.0
61.98826	4.3
69.03445	4.1
71.01378	42.2
71.16547	1.9
72.78840	1.0
72.99297	1.5
73.02946	13.3
83.01376	8.1
83.97958	0.9
85.02944	21.2
87.00871	2.5
88.98765	1.2
89.02447	7.9
92.48635	1.1
94.70912	0.9
95.01372	4.1
96.80396	1.0
96.95998	5.2
97.02966	2.0
99.00871	4.3
101.02431	32.0
101.03079	2.1
101.41726	1.0
113.02444	17.7
119.03507	2.5
125.02425	2.3
134.03720	5.1
135.04529	1.2
143.03490	1.3
159.02945	1.7
160.01688	1.1
161.02502	1.9
161.04536	9.6
179.03572	1.2
179.53860	1.1
193.05037	5.1
252.31812	1.3
389.12143	1.1
441.33691	2.2
485.32248	1.5
536.68341	1.2
572.20544	1.2
615.38794	3.2
733.45093	8.1
734.45111	1.9
777.44177	100.0
778.44525	20.6
787.99194	1.3
837.46350	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	837.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.2
61.98816	1.1
63.96206	2.5
71.01370	11.1
73.02928	1.8
73.38742	0.8
78.98588	7.6
79.95721	19.9
80.96505	100.0
81.03436	1.0
83.26235	0.8
85.02934	3.9
87.00845	2.8
87.62555	1.0
94.98074	21.7
96.95996	1.7
97.02914	1.8
99.00848	1.2
101.02412	2.4
106.98067	4.0
122.97586	4.4
125.02408	2.6
127.04053	1.3
134.97551	6.6
136.99150	1.8
148.99124	7.3
152.98630	7.7
164.98599	14.4
206.99583	2.5
224.98576	1.5
225.00690	16.7
277.21643	1.8
384.16946	0.9
475.96127	1.0
500.58725	0.9
559.25818	3.0
785.24011	1.0
795.32056	1.0
837.48126	81.8
838.48444	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	837.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98522	7.3
61.98828	100.0
61.99324	6.4
69.47722	6.9
71.61115	10.6
79.95712	14.7
80.29731	5.5
80.96497	46.6
94.98091	14.2
95.95107	7.4
137.16017	6.3
182.98207	7.2
189.81969	6.4
225.00726	7.5
231.30106	6.5
247.05182	6.5
259.71735	7.2
327.87692	6.3
336.07779	6.9
623.32922	7.9
837.47900	47.0
838.48077	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	839.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.5
61.98792	0.4
69.99303	1.6
71.01368	5.1
72.73752	0.4
72.99289	0.7
73.35780	0.3
81.89961	0.4
85.02940	1.2
89.02434	4.7
93.03444	0.4
95.01428	0.5
96.95990	1.0
99.00886	0.5
101.02423	2.5
105.03409	0.6
113.02427	1.1
117.03453	0.8
119.03506	1.6
123.04502	0.8
129.01950	0.4
132.02182	1.1
133.02942	21.8
134.03279	0.5
135.04512	11.3
136.04778	0.7
137.02429	0.4
139.68584	0.4
149.06116	0.5
153.09192	31.0
154.09523	1.4
161.02426	100.0
162.02776	4.5
173.04514	0.9
177.04108	0.5
177.05588	1.0
179.03468	3.6
197.08168	32.3
198.08524	1.1
203.89368	0.5
221.04501	0.7
273.12460	0.4
281.06479	0.8
290.97836	0.4
291.00955	0.4
315.10764	3.7
361.14993	15.5
362.15311	1.4
477.13953	98.3
478.14337	11.1
608.28864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	22.7
61.98827	0.6
68.99542	0.3
70.69656	0.3
70.69996	0.6
71.01357	0.3
84.02154	0.3
93.03469	0.6
107.05072	0.3
108.02180	1.1
109.02948	0.8
121.02917	2.3
122.03749	1.4
123.00903	0.4
123.04572	0.4
124.01637	0.5
132.39462	0.2
134.03755	0.7
135.04520	0.6
136.01642	58.8
137.02386	2.0
137.68913	0.2
138.03242	0.2
142.44168	0.2
145.02919	0.6
149.06058	0.6
149.32079	0.3
151.03984	64.7
152.04321	2.2
159.04517	0.8
160.05295	1.3
161.02438	0.4
162.03220	1.1
163.03990	2.0
168.21382	0.2
175.04007	0.7
175.07625	0.7
176.04684	0.3
177.05542	0.9
179.03465	0.8
188.04741	0.3
189.05498	0.5
193.05077	0.3
267.06836	0.3
277.21631	1.8
296.10483	0.4
311.13116	0.3
342.11020	9.7
343.11490	0.9
357.13367	100.0
358.13739	9.0
487.93747	0.2
617.37402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.4
61.98829	12.4
63.54955	0.9
71.01385	13.1
71.61964	1.1
72.99300	1.3
73.02948	2.8
75.00858	0.9
80.96513	3.4
85.02952	2.9
87.00880	1.4
89.02441	11.7
91.55704	0.9
96.96008	4.5
97.02959	1.1
99.92573	1.3
101.02441	7.6
113.02457	6.2
116.92850	14.5
119.03485	6.4
125.02439	4.3
131.03508	1.7
133.02988	1.4
143.03497	1.6
161.02441	1.4
161.04538	4.3
179.05600	6.6
219.43596	0.9
221.06657	3.7
234.76663	1.0
272.43015	1.0
315.89731	1.0
323.09805	21.9
455.35245	100.0
456.35593	17.8
779.45654	23.9
780.45587	5.5
839.50452	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	839.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.6
59.46289	0.3
61.58497	0.3
61.98819	4.0
69.79859	0.3
71.01373	8.3
71.18297	0.7
72.99292	0.7
73.02928	1.4
78.30524	0.3
80.96507	0.5
80.98036	0.3
83.01369	0.9
85.02932	2.0
87.00856	0.7
87.09675	0.3
87.95978	0.3
88.98772	0.3
89.02433	6.6
94.31349	0.3
94.81802	0.3
95.01374	0.4
96.95981	1.3
97.02916	0.7
99.00867	0.5
101.02427	5.9
113.02422	3.4
119.03477	3.8
125.02406	2.6
131.03497	0.5
134.03722	0.8
135.04501	1.6
143.03465	1.1
161.02419	1.1
161.04536	2.1
162.83871	0.4
164.83574	0.4
179.03462	0.4
179.03929	0.4
179.05586	4.0
181.19299	0.3
191.46016	0.3
193.05061	0.9
197.30016	0.3
221.06601	3.0
245.06534	0.4
263.07623	1.2
286.43301	0.3
303.73544	0.3
323.09769	16.4
324.10025	0.9
455.35220	100.0
456.35562	14.3
457.82623	0.3
489.32953	0.4
614.11798	0.3
617.39893	0.5
642.72412	0.3
678.64844	0.3
732.63519	0.3
758.99573	0.3
779.45752	17.4
780.46252	4.5
839.49609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	20.7
61.98829	3.8
67.27821	0.5
68.99818	0.7
69.03433	0.8
71.01370	40.1
71.09422	1.2
71.45029	0.6
72.99298	2.0
73.02938	11.7
73.47410	0.7
75.00838	1.3
83.01385	6.8
84.93792	0.6
85.02425	1.2
85.02937	19.1
87.00851	2.7
89.02427	9.5
93.03413	0.7
95.01374	3.7
96.96000	7.2
97.02947	2.1
98.95576	1.7
99.00850	5.4
99.85088	0.6
100.03685	0.6
101.02428	27.8
109.02926	0.8
111.00874	0.6
113.02439	14.5
119.03478	3.7
125.02418	2.4
129.01900	0.8
131.03511	1.0
133.17621	0.6
134.03679	1.9
135.04482	3.1
143.03426	1.4
159.02954	2.0
160.01651	0.8
161.02391	1.7
161.04501	8.5
179.03427	0.9
179.05638	1.1
193.05101	1.0
204.06720	0.7
233.06490	0.8
267.06607	0.9
294.08829	0.9
338.07758	1.0
341.10306	1.1
353.10318	3.8
354.10748	0.9
371.15057	0.8
455.35406	3.6
471.34647	11.6
472.34903	1.6
513.35297	1.1
617.40472	9.6
618.41016	1.0
677.31342	1.0
771.32281	1.9
779.45709	100.0
780.46014	24.0
783.32764	1.4
791.86890	0.7
801.33081	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	841.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
67.01847	0.3
71.01379	1.8
72.13152	0.4
85.02945	7.6
85.25552	0.3
87.00877	1.8
89.02474	0.5
90.68315	0.3
93.03434	2.7
95.01389	0.8
100.12387	0.4
100.41285	0.3
109.02942	1.0
111.04510	0.9
113.02444	2.0
115.49678	0.4
119.05006	0.5
127.03983	1.9
133.02950	3.9
134.03726	1.4
135.04512	35.7
136.04823	1.5
161.02429	11.0
162.02937	0.5
163.04010	0.4
173.04509	1.1
179.03470	61.3
180.03818	2.5
191.05582	100.0
192.05934	3.4
193.50383	0.3
261.48920	0.3
318.65317	0.4
353.08704	16.9
354.09103	1.2
392.38458	0.4
413.95041	0.4
487.14514	14.4
488.14944	1.4
707.60449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
59.85877	0.4
69.03432	0.6
70.44978	0.8
71.01379	2.1
73.02950	1.5
83.05028	0.7
85.02939	1.2
87.00859	0.9
89.02451	1.5
89.03957	1.8
93.03445	3.2
96.95994	1.2
99.00876	2.4
99.04482	0.6
101.02462	0.6
103.81975	0.4
106.04191	0.4
107.05004	0.4
109.02943	0.6
111.04485	2.3
113.02481	0.3
117.03455	8.0
121.02898	0.3
121.06557	0.4
125.02406	0.5
127.04030	0.4
133.02966	4.4
134.03726	88.7
135.04529	27.7
136.04865	1.0
137.02390	1.2
149.06059	7.8
155.03506	2.8
161.02425	20.0
162.02797	0.9
173.04536	6.3
177.05490	0.3
178.02620	0.4
179.03476	29.2
180.03827	1.1
191.05573	7.1
193.05028	100.0
194.05363	5.0
207.06569	1.4
223.06071	0.4
251.05594	7.6
252.05731	0.5
273.09714	0.5
311.07675	8.2
353.08740	15.3
354.09091	1.2
367.10275	54.5
368.10565	4.6
383.09784	17.6
384.10028	1.2
389.10825	1.6
413.10834	26.6
414.11218	2.3
437.10999	1.1
455.11691	0.6
473.12909	9.4
474.13522	0.7
494.04553	0.4
783.10364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.5
70.35280	1.0
70.35634	0.7
71.01375	7.3
71.16825	0.3
73.02943	1.1
77.03959	0.7
81.98553	0.3
85.02935	7.4
85.03439	0.5
89.02422	2.7
93.03477	0.4
95.01382	2.8
95.05101	0.4
96.96015	0.7
101.02435	2.7
105.03449	0.9
113.02444	12.9
113.03234	0.8
117.03448	1.5
119.03522	0.5
121.41986	0.4
123.04546	0.5
129.92964	0.4
130.44632	0.4
132.02129	3.2
133.02940	49.7
134.03653	3.8
135.04507	10.0
140.35472	0.4
145.03107	0.4
146.06044	0.5
161.02419	100.0
162.02754	4.4
173.04561	0.7
175.03912	0.7
179.03470	5.2
179.23311	0.4
180.03827	0.5
193.04977	2.1
203.10481	0.4
203.87352	0.4
253.06096	2.4
265.06070	0.5
268.08392	1.2
271.52182	0.4
293.09183	0.9
294.10001	1.7
309.12427	1.5
339.09824	0.6
380.29242	0.4
487.34213	2.8
517.24493	0.6
582.40948	0.5
611.41736	0.4
679.23242	15.9
680.23834	2.7
781.43042	0.5
841.26544	28.1
842.26752	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	841.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	43.0
61.98819	6.8
65.00310	1.7
65.03935	1.3
67.01878	13.5
68.99458	1.7
68.99812	26.7
69.62420	5.7
71.01374	2.7
73.02937	1.3
79.95733	1.3
80.96496	4.8
83.05034	1.3
85.02938	10.7
91.05506	5.3
93.03436	10.3
94.98058	1.0
95.01359	3.0
96.95985	1.6
97.02867	1.3
99.00852	1.4
99.04491	1.9
101.02431	41.5
107.04993	2.7
111.00867	23.1
111.04494	4.0
113.02490	1.7
116.92860	1.4
117.03471	2.0
119.05003	21.2
121.02946	12.2
123.04530	1.5
125.02446	6.0
125.06053	3.8
127.03994	22.6
133.02902	1.7
135.04509	6.0
137.02385	6.6
137.06075	9.1
139.00365	11.0
143.03462	3.3
145.02953	1.7
146.40312	1.2
149.06068	1.8
151.00313	2.5
151.03969	3.7
151.07622	29.8
153.01910	6.6
153.05553	2.5
161.02489	6.4
163.04028	10.4
164.98663	1.2
166.02686	7.1
168.20625	1.1
171.02954	7.6
175.03967	2.2
177.05528	3.7
179.03477	18.9
181.05060	7.6
189.01958	5.2
195.06589	25.7
196.06845	1.3
207.02988	1.7
221.04544	2.9
239.05518	4.3
257.08234	5.3
275.09149	3.2
277.21588	7.5
291.08701	100.0
291.23206	4.2
292.09189	7.1
315.12335	33.0
315.15060	0.7
316.12750	2.0
317.10248	25.7
327.08652	4.6
359.11276	20.1
360.11603	2.0
387.10849	1.4
417.15491	10.4
419.13345	7.5
508.51947	1.4
563.17493	1.5
841.51495	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	841.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.5
61.98827	3.1
64.87787	0.6
69.80419	0.5
71.01368	9.2
71.62793	0.7
72.99302	0.7
73.02930	1.7
75.58536	0.5
83.01361	2.8
85.02941	3.2
87.00861	0.9
89.02429	5.0
93.03423	0.8
96.96015	2.4
99.00848	0.7
101.02434	21.1
113.02428	1.9
115.00383	0.8
116.92870	1.2
119.03483	3.0
125.02419	0.6
131.03482	3.2
133.02916	0.8
134.03720	3.6
135.04515	0.6
137.02419	0.7
145.02908	0.7
149.04565	1.1
160.01680	0.8
161.02402	1.0
161.04524	0.5
165.01871	0.7
175.02507	0.9
175.03952	1.1
179.03586	0.8
191.05582	2.3
193.04997	1.8
195.06599	1.5
202.69115	0.5
225.07693	0.7
246.68053	0.6
267.08850	0.9
307.85272	0.6
377.28381	0.8
393.31519	2.2
423.32648	7.3
424.32913	1.1
425.34210	2.9
437.30731	0.6
439.32202	1.5
441.33670	3.2
457.33240	2.1
467.31635	2.1
468.32217	0.6
469.33371	3.8
470.33173	0.8
474.67361	0.5
483.34711	1.3
487.34219	100.0
488.34592	14.7
501.36020	3.1
502.36188	0.7
529.35291	9.3
530.35651	1.1
559.36176	1.0
589.37030	0.9
619.38678	1.8
661.39636	3.3
703.40674	5.8
704.40637	1.4
781.44055	7.0
782.44482	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	841.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.7
67.95042	0.4
70.03511	0.8
70.03893	0.7
70.61655	0.4
71.01374	6.8
71.05017	0.6
72.48324	0.4
72.99289	0.6
73.02947	0.9
83.01368	1.4
85.02945	1.2
89.02431	4.0
97.20779	0.4
98.19925	0.4
101.02428	17.1
113.02428	1.4
119.03501	3.2
131.03444	2.1
149.04498	1.1
170.52675	0.4
191.05612	1.4
233.06677	0.4
307.92026	0.5
354.78632	0.4
393.31705	0.7
405.31448	0.6
427.32089	1.2
428.32431	0.6
437.30579	1.4
469.27884	0.5
469.33340	8.4
470.33334	1.2
487.34204	100.0
488.34494	15.4
501.35693	3.0
529.35242	5.7
530.35455	0.8
589.36993	0.5
619.38226	2.1
649.39844	0.7
661.39685	3.6
662.39960	0.7
703.40631	4.5
704.40851	1.1
781.43567	13.0
782.43982	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	841.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	9.2
61.98812	1.4
63.45576	0.7
69.42631	1.0
69.43034	4.2
71.01376	8.4
71.04996	0.7
73.02924	2.2
83.01389	1.1
85.02934	2.6
89.01997	0.5
89.02442	5.0
95.70960	0.7
96.95972	0.6
99.00879	0.8
101.02431	16.2
113.02443	2.1
119.03478	3.3
131.03502	1.9
134.03757	1.1
134.66301	0.6
149.04550	1.2
191.05551	1.7
193.05055	1.0
195.06604	0.8
407.32849	1.4
425.34744	0.8
427.32043	3.1
457.20541	0.7
469.33215	8.1
470.33453	1.7
487.34225	100.0
488.34570	16.0
501.35669	2.8
502.35663	0.8
529.35162	7.8
530.35455	1.3
589.37152	1.2
619.38580	0.9
661.39331	4.3
703.40228	4.9
781.44202	14.9
782.44684	2.8
841.32465	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	841.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	12.8
61.98825	20.1
63.47618	12.0
71.62463	18.8
79.95744	18.3
80.96512	83.4
84.52804	13.2
94.98092	27.0
97.43106	13.5
140.63168	14.6
149.72209	15.9
155.51518	13.3
156.77895	12.5
164.98666	15.5
165.04283	12.1
175.43584	12.3
277.21683	26.0
309.20703	20.7
530.20502	19.4
773.82458	15.6
841.50861	100.0
842.50775	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	21.1
71.62292	11.4
72.01669	9.4
79.95716	14.7
80.96507	90.1
94.98092	18.2
102.34473	8.9
213.19905	10.3
225.00822	15.8
261.40323	9.5
277.21631	23.0
292.41669	10.7
294.08252	9.5
309.20990	11.7
338.75754	11.2
841.51038	100.0
842.51019	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	841.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	8.7
71.53979	5.1
79.95694	4.8
80.96516	23.4
85.21780	3.5
85.44192	3.6
101.02413	4.1
106.99734	3.4
116.92863	5.9
119.54377	3.6
145.04684	4.2
225.00833	4.1
253.09299	18.2
293.21191	100.0
294.21463	6.9
376.73102	3.7
529.29474	8.3
592.37354	4.2
729.37274	3.9
841.49524	62.9
842.50043	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	841.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	29.5
61.98823	40.0
70.17085	7.4
71.01371	48.9
72.99300	3.7
73.02945	12.5
73.83441	2.3
75.00876	4.8
83.01388	6.1
85.02937	21.1
87.00898	2.7
89.02448	16.0
90.66097	2.4
95.01417	4.0
96.96006	28.9
97.02949	2.5
98.19969	2.8
98.67632	2.3
99.00887	5.5
101.02439	37.8
102.02660	2.5
104.00840	2.3
104.62930	2.4
111.00880	2.7
113.02434	16.3
119.03493	4.1
125.02425	4.2
133.02919	3.0
135.04486	2.6
143.03474	3.9
161.02422	5.7
161.04587	11.2
177.01523	2.4
179.05576	4.7
193.05113	2.5
232.56052	2.1
242.05115	2.7
263.07785	3.8
454.52850	2.7
458.46536	2.3
554.69440	2.8
619.42279	7.4
781.47321	100.0
782.47461	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	841.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	5.4
63.96223	3.2
66.21253	0.8
69.03455	1.5
71.01367	10.4
71.53065	1.4
73.02943	1.9
73.30178	0.8
73.82096	0.8
78.98588	7.6
79.95726	16.9
80.96507	100.0
81.03437	0.9
85.02937	3.2
87.00858	3.3
87.01371	0.7
94.98076	19.4
96.58333	0.7
96.95995	1.4
97.02942	2.5
99.00859	1.7
101.02439	2.5
106.98061	3.5
113.02337	0.8
122.97567	6.3
125.02433	3.8
134.97586	5.4
136.99165	1.3
146.52834	0.8
148.99152	6.4
152.98625	6.0
164.98611	13.9
166.45714	0.8
168.72247	0.7
191.21188	0.8
206.99628	2.7
225.00720	16.5
225.02945	1.1
271.07587	0.8
281.24747	1.4
390.57535	1.1
559.26025	1.6
563.28937	2.2
655.78381	1.0
841.51306	89.8
842.51532	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	842.396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
61.98824	100.0
62.98526	0.2
65.45438	0.1
70.94345	0.2
80.96517	0.1
99.92554	0.1
111.61443	0.1
116.92834	0.6
117.92855	0.1
136.01631	0.4
137.02026	0.2
138.02281	0.1
151.04001	0.6
152.04364	0.3
263.08868	0.1
357.13510	0.2
358.13837	0.3
359.14084	0.3
360.14249	0.1
392.27090	0.1
476.29144	0.1
509.54385	0.1
700.92035	0.1
842.52264	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	843.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
67.01890	0.3
69.74957	1.1
71.01372	1.1
73.02968	0.3
74.88294	0.2
81.03443	0.2
83.05018	0.3
85.02946	6.3
87.00857	1.2
87.24339	0.2
93.03452	4.1
95.05007	0.2
96.96040	0.2
96.99305	0.2
98.19863	0.3
99.04514	0.8
103.93477	0.2
107.62971	0.2
109.02948	0.7
111.00853	0.2
111.04501	1.0
115.00356	0.2
119.05013	1.5
122.03720	0.2
127.03988	2.1
131.05008	0.5
131.20403	0.2
133.02954	1.3
133.03804	0.2
134.03743	0.4
135.03574	0.3
135.04507	2.8
135.13745	0.2
136.04889	0.2
137.08717	0.2
143.05002	0.5
145.02928	0.2
145.04779	0.2
145.06563	0.4
153.01895	0.2
155.03380	0.2
159.04407	0.2
161.02426	2.4
162.02788	0.3
163.04022	0.6
165.05621	0.2
171.03021	0.5
171.04431	0.3
173.04506	2.2
177.01843	0.2
177.05618	0.3
179.03482	3.5
180.03792	0.6
181.03978	0.2
191.05585	100.0
192.05931	4.5
193.06004	0.7
210.06850	0.6
211.07608	2.3
215.05531	0.4
223.07672	0.2
235.07628	0.4
237.09180	4.1
238.09702	0.5
239.10806	0.9
240.02263	0.2
253.08644	0.5
265.08682	1.4
278.29181	0.2
279.08899	0.2
309.07736	0.3
351.07242	0.6
353.08725	14.7
354.09009	1.4
355.09180	0.3
375.06711	0.2
375.16571	0.3
446.55084	0.2
461.58044	0.2
488.15100	0.3
489.13977	13.2
490.14487	1.3
681.50549	0.2
798.44012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	41.8
61.98820	34.4
62.61086	1.2
69.03434	2.9
71.01373	58.1
72.01707	1.4
72.99305	3.5
73.02946	13.1
75.00851	2.5
77.02615	1.3
83.01366	7.4
85.02935	21.9
87.00872	4.9
89.01904	2.4
89.02431	38.4
95.01376	5.3
96.95990	10.7
97.02941	4.8
98.95567	1.2
99.00860	5.3
101.02431	40.0
111.00864	3.4
113.02441	22.4
119.03477	14.4
125.02423	6.9
131.03481	3.2
133.02951	11.2
134.03685	3.3
135.04510	10.0
143.03442	7.3
161.02417	27.3
161.04472	10.9
162.06894	1.2
179.03497	3.1
179.05568	25.1
193.04997	2.4
199.10791	1.2
217.32295	1.2
218.77019	1.3
221.06622	3.6
233.06668	1.8
234.63620	1.2
245.06665	2.1
263.07666	4.5
274.86526	1.2
287.29364	1.2
305.08670	4.1
323.09796	11.4
347.35684	1.3
353.21219	1.4
381.20544	3.8
427.32108	1.9
459.34570	1.9
610.93970	1.3
621.39899	6.8
783.45355	100.0
784.45612	20.3
827.45233	3.2
843.37885	14.9
844.38281	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	843.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	24.4
61.98822	40.4
69.88223	1.8
69.88636	3.5
71.01373	38.3
71.16662	0.9
72.99294	2.5
73.02940	12.5
75.00851	2.7
77.81540	0.9
80.96498	1.3
83.01379	7.6
85.02940	21.8
87.00847	2.9
88.98793	1.1
89.02431	9.4
95.01359	3.2
96.95998	11.4
97.02934	1.3
99.00874	5.5
101.02430	37.7
111.00896	1.3
113.02440	16.1
115.03953	0.9
119.03468	3.5
119.04970	1.0
121.02879	1.4
125.02401	1.2
133.02937	5.1
134.03722	6.1
135.04517	5.4
136.01686	1.4
143.03494	2.0
146.53526	1.0
151.04007	1.6
159.02988	1.5
160.01639	2.2
161.02400	10.7
161.04436	5.4
164.04742	1.5
175.03964	1.4
179.03380	2.3
193.04965	3.3
195.06465	1.6
356.35635	1.0
427.31799	1.3
459.34561	3.7
586.03516	1.2
621.39771	4.7
783.45288	100.0
784.45679	24.0
791.36707	1.1
843.37994	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	843.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	23.4
61.98824	6.0
69.03455	1.2
71.01373	46.4
71.61109	0.4
72.01703	0.5
72.99299	1.8
73.02937	15.1
75.00869	1.0
81.03460	0.5
83.01376	7.0
85.02940	22.5
85.09846	0.3
86.03255	0.3
87.00865	1.8
89.02433	9.3
95.01393	4.1
96.96011	0.5
97.02924	1.5
99.00864	5.6
101.02431	32.4
102.02797	0.4
109.29875	0.3
111.00861	1.5
113.02434	17.5
114.02790	0.4
119.03499	2.8
125.02441	1.8
129.01930	0.6
131.03499	0.7
133.02919	0.9
134.03726	0.6
134.97609	0.3
135.04509	1.6
141.01953	0.4
143.03481	2.1
159.02969	2.7
160.01622	0.6
161.02493	2.3
161.04533	11.5
164.35512	0.3
179.03477	1.1
179.05635	1.1
221.06511	0.4
228.18698	0.4
245.06531	0.7
263.07733	0.5
277.24283	0.3
329.23431	0.6
367.94788	0.3
432.04175	0.4
550.25781	0.3
621.43597	5.4
622.43921	1.1
623.19672	0.4
783.48871	100.0
784.49194	23.1
843.37946	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	843.51
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	20.6
61.18797	0.5
61.98819	6.8
65.91286	0.5
69.03447	0.7
70.02893	1.4
70.03310	0.8
71.01373	43.4
71.46580	0.5
72.01681	0.8
72.99292	1.7
73.02936	13.1
75.00858	0.6
75.07340	0.5
80.96487	0.7
83.01369	5.7
84.02132	0.5
85.02940	21.9
87.00862	2.4
89.02438	7.6
95.01360	3.0
96.95974	1.2
97.02930	1.5
99.00864	4.7
101.02432	31.3
102.02766	0.5
106.40000	0.5
111.00864	0.9
113.01689	0.9
113.02441	16.0
114.02789	0.6
119.03503	2.5
125.02403	1.6
133.02913	1.3
135.04491	1.2
143.03448	1.9
145.04868	0.6
159.02983	2.2
161.02531	2.3
161.04521	11.2
162.06924	0.5
179.03389	0.8
179.05592	1.5
190.87355	0.5
238.18286	0.5
263.07556	0.6
264.60861	0.6
421.93604	0.6
430.40695	0.5
480.25974	0.5
504.84879	0.5
582.75256	0.6
621.43384	5.0
668.31989	0.5
707.68091	0.6
783.48846	100.0
784.49164	22.7
843.38336	0.8
843.53003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.0
61.98823	1.6
70.40317	0.5
71.01378	5.8
72.99288	0.7
78.95885	0.7
83.01375	0.6
85.02934	6.0
87.99551	0.4
89.02428	2.7
93.03432	0.7
95.01367	1.7
95.05022	0.7
96.96008	2.1
98.04705	0.4
101.02436	1.8
105.03441	0.6
107.02124	0.5
107.05026	0.7
113.02428	11.0
117.03441	1.1
119.03488	0.7
123.04523	0.6
132.02129	3.4
133.02936	47.8
134.03314	1.8
135.04486	11.8
136.04787	0.7
137.09706	1.0
159.22008	0.5
160.04025	1.9
161.02417	100.0
162.02756	5.7
173.04486	1.5
174.55705	0.5
175.06358	0.6
179.03432	5.7
190.08647	1.8
198.44679	0.4
208.09862	0.6
257.20056	0.5
355.17593	0.6
461.17249	0.6
516.20746	0.6
601.21826	0.5
623.20526	0.6
638.28088	3.8
652.22717	1.3
662.20947	2.2
678.23871	5.2
679.23767	0.8
800.31219	34.1
801.31506	7.9
844.30231	6.2
845.31610	1.7
870.45203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01725	0.9
65.16467	0.7
70.61195	0.7
70.61536	2.0
71.01401	0.7
84.38238	0.6
85.02935	1.1
88.04031	16.4
88.04562	1.1
94.02974	1.4
96.04549	0.6
99.39364	0.7
104.05078	2.6
113.02448	1.1
122.02461	0.9
123.03267	3.9
123.04514	3.8
124.04037	6.6
132.04529	9.8
133.02983	2.8
134.06104	5.2
135.04538	2.2
137.06049	3.4
138.05592	81.6
139.05974	2.9
148.07719	1.1
149.91016	0.8
161.02420	6.8
164.07138	44.3
165.07510	2.4
174.09218	0.9
179.07114	55.9
180.07498	2.3
192.06645	1.0
193.54564	0.7
200.07034	0.8
206.11891	1.4
208.06111	38.3
209.06467	1.9
221.88898	0.8
224.09164	0.8
232.09840	2.9
249.11353	1.2
250.10797	3.8
270.09827	1.1
271.09619	1.4
432.16547	90.0
433.16876	10.6
845.26263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
59.73394	0.1
61.80951	0.1
61.91620	0.1
61.98824	100.0
69.55188	0.4
69.55591	0.2
71.01366	0.3
89.02448	0.1
96.96018	0.1
98.61008	0.1
101.02458	0.4
104.71069	0.1
131.48552	0.1
133.02985	0.1
135.04565	0.1
161.02441	0.2
176.83221	0.1
198.70334	0.1
305.79065	0.1
470.33859	0.1
487.34296	0.3
488.34732	1.0
489.34912	0.9
490.35059	0.7
784.44989	0.4
844.43597	0.3
845.43921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	1.1
59.01375	13.2
61.57167	0.6
61.98815	1.7
67.01877	2.8
68.99816	5.7
70.14731	0.6
71.01370	3.6
71.62749	0.7
72.99293	0.8
80.96477	1.0
83.01433	0.6
83.05004	0.9
85.02934	4.3
87.00835	0.7
89.02419	2.5
91.05527	0.7
91.43641	0.6
93.03439	2.6
95.01363	0.9
96.95977	0.6
97.02951	1.2
97.67498	0.6
101.02433	12.8
107.05018	1.1
108.02121	0.8
109.02898	1.1
111.00877	6.1
111.04491	2.5
113.02449	2.4
119.04999	5.7
121.02943	5.7
122.03680	1.1
125.02399	1.1
125.06052	2.1
127.04006	5.8
133.02917	3.8
134.03700	2.9
135.04506	34.1
136.01639	1.2
136.05197	0.6
137.02414	1.7
137.06052	3.6
138.06834	0.9
139.00357	2.7
139.07629	1.7
143.03477	1.7
145.02873	1.0
149.02386	2.9
149.06009	1.2
151.03979	1.7
151.07632	13.1
152.08385	2.3
153.01892	2.2
153.05566	0.9
161.02414	10.5
161.09712	1.1
163.04008	3.0
163.07632	0.9
171.02962	2.5
175.03934	1.0
177.05525	1.2
179.03471	44.0
180.03732	2.0
187.03784	0.7
189.01898	2.2
189.05409	0.7
193.05081	1.4
195.06586	6.3
196.98363	5.2
201.12901	1.3
203.10725	1.5
204.11479	3.0
205.04979	1.2
207.03096	0.7
218.98572	100.0
219.13863	4.2
219.98920	2.2
233.04416	4.6
239.05554	0.9
241.04907	0.9
245.04349	0.9
251.05566	6.1
257.08115	2.4
262.97543	31.9
263.09247	0.7
263.12823	1.7
269.04510	1.7
275.09375	1.5
282.05191	0.9
283.05927	1.1
285.03995	0.6
291.08694	40.1
292.09079	2.1
305.06509	1.6
309.04169	0.9
310.04764	2.7
315.12302	8.5
316.12640	1.3
317.10220	11.3
318.10474	1.2
323.07675	4.9
325.07141	2.4
327.08734	1.1
353.10114	1.7
357.09744	16.5
358.10242	1.5
359.11249	7.8
360.11609	1.3
419.07803	1.2
419.13406	22.5
420.13950	1.9
487.14801	3.9
516.16095	0.7
526.92145	0.8
581.18640	4.1
637.17731	2.7
721.19330	0.8
725.29492	0.7
845.24402	3.3
845.48358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
64.36485	0.3
67.01884	0.4
69.03449	13.0
71.01366	0.9
71.05007	2.6
71.61980	0.6
73.02927	0.6
75.00882	0.3
77.11458	0.3
81.03429	0.7
83.05012	2.0
85.02944	0.9
87.00835	0.4
93.03448	4.9
93.21195	0.3
95.21645	0.3
96.96010	1.0
101.02448	0.4
111.04507	4.2
111.08139	2.5
113.02422	0.5
113.06081	1.8
119.03482	0.4
123.08173	1.3
127.04002	0.5
134.03720	1.3
135.04507	0.5
137.02419	0.6
139.11270	20.0
140.11595	0.8
155.03479	5.8
173.04517	11.3
179.03462	0.4
183.10233	100.0
184.10571	4.8
191.05571	3.4
193.05057	1.6
219.86885	0.4
234.30688	0.3
247.37167	0.3
261.19824	0.4
311.09735	0.4
347.33765	0.3
357.15482	88.9
358.15814	8.3
367.10303	1.3
425.12350	0.4
487.14609	1.8
618.72937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	30.7
60.81306	0.5
65.03935	1.4
66.56652	0.5
67.01879	6.3
67.97077	0.4
68.99805	17.2
69.03451	0.6
69.63504	3.0
71.01376	4.5
76.28890	0.5
81.03448	1.4
83.01366	1.3
83.05016	0.8
85.02940	7.9
85.29398	0.5
89.02435	4.3
91.05521	2.0
91.26338	0.5
93.03447	7.3
95.01353	3.0
95.05025	0.5
97.02933	2.2
99.00896	0.6
99.04509	2.0
101.02430	33.5
102.02764	1.0
105.07076	0.8
107.05022	2.3
108.05815	0.6
108.80741	0.5
109.02914	1.6
109.06576	0.9
111.00863	19.2
111.04512	4.2
111.65389	0.5
113.02442	1.9
113.06065	1.2
117.03474	1.1
119.03513	1.5
119.05010	13.7
121.02934	7.1
122.03759	3.0
123.00848	0.5
123.04486	0.9
123.08173	1.8
125.02424	3.8
125.06075	5.3
127.03992	20.1
128.04333	0.6
129.43500	0.5
133.02945	1.4
134.03735	1.1
135.04503	5.3
135.08138	0.9
136.01631	0.7
136.05286	2.9
137.02437	3.9
137.06071	7.2
138.06821	4.1
139.00334	8.2
139.07646	5.3
139.77637	0.5
143.03502	2.7
145.87329	0.5
148.05299	1.4
149.06009	1.7
151.03983	1.6
151.07622	33.2
152.04732	1.0
152.08408	4.8
153.01935	4.0
153.05588	3.2
153.09166	1.5
159.11790	0.7
161.02415	3.4
161.04553	0.8
161.09727	0.6
163.03979	7.8
163.07640	2.3
167.07112	1.1
171.02979	5.9
175.03922	0.6
177.05536	2.2
179.03474	18.2
179.05539	1.6
180.03831	0.9
186.10370	0.5
189.01903	4.6
189.09241	1.1
193.05040	0.9
195.06587	16.2
196.06944	0.6
201.12848	3.4
203.10750	3.1
204.11507	8.1
207.02937	1.6
218.98607	0.9
219.13837	8.6
221.04596	2.7
239.05518	2.3
257.08093	5.6
257.10037	0.5
263.12830	4.0
275.09103	3.5
291.08694	100.0
292.09030	6.8
315.12329	21.7
316.12540	1.2
317.10220	29.4
318.10663	2.3
321.76959	0.6
327.08679	3.0
341.10251	0.7
359.11288	21.5
360.11652	1.9
419.13391	50.8
420.13782	6.4
450.84592	0.5
521.16412	0.9
581.18658	11.8
582.18988	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	845.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	24.6
61.98819	8.4
62.27107	1.8
71.01365	18.3
73.02944	3.5
75.00896	2.6
85.02940	4.6
87.00877	4.9
89.02430	16.5
90.38332	2.2
96.95986	8.5
97.02924	2.5
101.02405	12.3
113.02436	9.2
125.02436	5.9
133.02907	2.2
134.54761	2.1
161.02454	3.4
162.97287	2.4
171.10190	4.8
173.39891	2.2
179.05582	4.4
194.02811	2.1
200.00981	2.0
210.64912	2.2
221.06714	2.4
293.21216	5.9
315.17874	1.9
325.25220	5.2
343.26199	4.2
346.02365	2.4
359.26047	4.1
369.24033	6.6
374.91318	1.9
387.25146	10.9
397.13208	6.0
405.26392	19.1
514.64130	2.2
785.39526	100.0
786.39905	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	22.5
61.98835	7.0
68.95972	1.3
71.01372	16.4
72.99287	2.9
73.02938	3.5
78.95910	6.5
83.01374	1.7
85.02971	6.5
87.00852	4.6
88.98814	2.9
89.02427	13.2
95.01360	1.6
95.04972	1.4
96.95985	8.3
96.96956	1.5
97.02967	2.3
97.06578	1.4
98.20638	3.3
99.00886	1.8
101.02436	12.0
106.45155	1.4
111.08182	1.5
113.02457	7.3
116.92879	1.6
119.03510	2.0
124.62108	1.7
125.02412	5.4
135.04526	2.4
152.99557	3.7
161.02373	4.3
161.04561	1.9
179.03439	1.6
179.05528	3.2
213.14966	1.6
221.06535	1.9
229.18741	1.4
239.16653	2.0
288.72870	1.4
291.06406	2.8
293.21216	2.2
315.26825	1.7
325.25296	4.7
343.26257	3.2
353.84860	1.4
359.25882	2.4
361.27301	2.1
369.24237	5.6
387.25565	10.0
397.13312	5.2
405.26385	22.6
406.27359	1.6
588.27655	1.6
785.39618	100.0
786.39954	17.9
846.38196	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	846.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
61.98823	100.0
62.98527	0.3
71.01380	2.0
71.62189	0.2
72.01717	0.3
72.99322	0.1
73.02938	0.4
78.91893	0.5
80.91681	0.5
81.90895	0.1
83.01397	0.4
84.98892	0.1
85.02945	0.8
89.02436	0.4
96.78317	0.1
96.96014	0.3
99.00846	0.2
101.02422	1.2
102.02797	0.2
113.02448	0.5
119.03484	0.2
130.08766	0.2
134.03690	0.2
135.04570	0.4
161.04530	0.3
164.37288	0.1
176.97984	0.1
232.91052	0.1
297.07840	0.2
301.59970	0.1
363.44492	0.1
431.01047	0.1
471.34644	0.8
472.63034	0.2
678.22119	0.2
784.49835	0.3
785.49188	0.7
786.49841	4.4
787.50085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
60.91925	0.2
61.98826	3.0
63.13184	0.2
65.00319	0.3
68.99797	1.2
69.03447	0.3
69.78608	0.3
70.01666	1.4
71.01373	3.7
71.05021	0.3
72.99303	0.5
73.02934	0.4
75.00852	0.8
75.65353	0.2
79.98161	0.3
80.96519	0.4
83.01388	0.8
83.05052	0.4
85.02943	1.3
87.00838	0.5
88.98805	0.6
89.02444	1.8
89.03968	0.3
93.03432	0.5
95.01398	0.6
96.95988	1.6
97.02961	0.7
98.20573	0.3
98.91048	0.3
99.00862	0.4
101.02428	3.1
105.03461	1.1
108.02075	0.3
111.00900	0.4
113.02422	1.6
117.03439	1.7
119.03469	0.8
119.04996	1.9
121.02961	0.5
122.03745	0.3
123.04511	0.4
125.02403	0.5
132.02162	1.9
133.02937	28.5
134.03659	1.7
135.04506	10.5
135.08153	0.8
136.01642	1.8
137.02419	0.8
137.06058	0.5
139.00365	0.4
145.02953	1.4
147.03008	0.4
147.04364	0.3
149.02432	0.6
149.06104	1.4
150.03198	0.8
151.03973	2.7
153.01945	0.5
153.09187	0.7
160.01678	0.7
161.02422	100.0
162.02748	4.1
163.03934	0.9
165.05597	0.7
175.03944	0.7
175.07584	0.4
177.05496	0.7
178.02667	0.4
179.03470	5.2
179.07133	0.4
180.03957	0.6
193.05034	1.1
195.06621	0.5
203.07170	0.4
221.04538	0.6
221.08072	0.5
223.06055	0.5
239.09221	0.3
263.09204	0.3
279.06439	0.4
281.06607	0.6
285.04077	0.6
327.12161	0.6
339.08655	0.6
342.10818	0.5
354.11536	0.3
357.13327	1.8
369.13388	1.1
419.12897	0.4
461.14459	93.1
462.14795	11.6
487.34283	2.5
615.20557	0.9
623.19635	0.9
649.39191	2.2
650.39386	0.4
699.26294	2.1
700.26715	0.3
847.27814	3.8
847.42554	3.0
848.28638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
61.98800	0.2
67.01877	0.6
68.99812	2.1
69.03442	0.3
70.64507	0.3
71.01374	4.4
71.61465	0.3
73.02951	0.4
81.03439	0.3
83.01376	0.3
85.02937	5.1
87.00866	0.4
89.02429	2.0
89.03963	0.5
93.03456	0.7
95.01385	3.0
95.05042	0.4
96.95994	0.8
97.02917	0.3
101.02411	1.7
105.03454	0.5
107.05003	0.3
109.02968	0.4
111.00865	3.1
113.02435	9.7
117.03453	1.6
119.03490	0.4
121.02943	6.3
123.04498	1.8
132.02165	2.1
133.02939	35.8
134.03212	1.2
135.04509	14.1
136.04791	0.4
137.02432	0.4
139.00352	3.3
143.03525	0.4
145.02974	0.3
149.02422	7.4
153.05545	1.0
160.01678	0.5
161.02422	100.0
162.02753	4.4
165.01891	1.1
173.04533	0.4
175.03918	0.3
179.02019	0.4
179.03476	5.0
205.01347	0.3
288.66769	0.2
297.09720	0.3
315.10880	1.0
379.22903	0.3
443.15762	0.5
461.16531	3.8
462.16879	0.4
477.14349	0.3
491.19223	0.2
503.17545	1.3
605.18982	0.6
623.19678	16.7
624.20074	3.0
649.17554	2.5
650.18475	0.3
665.20764	24.3
666.20996	3.5
685.25024	0.3
701.20477	0.3
717.20941	0.8
745.21875	8.9
746.21118	1.5
749.23303	0.2
771.22546	0.4
777.22485	3.1
778.22180	0.6
803.31372	0.4
815.23853	1.3
816.23712	0.4
847.27917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
61.98835	2.7
64.41734	0.4
68.99817	1.3
71.01373	3.1
73.02949	0.6
75.00864	0.6
83.01379	0.6
85.02939	1.2
87.00878	0.5
88.98773	0.9
89.02441	2.1
89.74587	0.3
93.03420	0.8
95.01421	0.5
96.95994	1.4
97.02960	0.6
99.00859	0.4
101.02425	3.2
105.03438	0.7
109.02953	0.5
113.02438	1.5
117.03462	1.2
119.03539	0.6
119.05026	1.5
121.02973	1.0
123.04493	0.6
125.02414	0.7
132.02147	1.5
133.02943	30.5
134.03688	2.1
135.04514	9.7
135.08128	0.4
136.01642	1.7
137.02429	0.9
137.06009	0.5
138.42688	0.3
145.02930	1.6
149.02391	0.5
149.06068	1.5
150.03194	0.7
150.06320	0.4
151.03970	1.7
153.09135	0.7
159.04486	0.3
160.01674	0.6
161.02426	100.0
162.02776	3.9
163.04033	1.0
165.05472	0.8
170.24997	0.3
175.04031	0.5
177.05527	0.5
179.03471	6.7
179.07245	0.3
180.04126	0.5
193.04999	0.9
195.06557	0.6
216.47922	0.3
221.04507	0.6
223.06053	0.5
281.06467	0.8
342.10770	0.4
357.13516	1.1
369.13641	0.9
410.17310	0.6
461.14474	96.6
462.14853	9.7
471.83215	0.3
487.34409	2.3
583.21924	0.6
615.21100	0.7
623.19714	1.3
649.39294	3.0
650.74866	0.4
675.22888	0.7
699.26862	1.5
791.15149	0.4
847.27356	3.3
847.42212	2.6
848.29089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
69.03453	1.6
69.69334	4.3
70.60121	0.6
70.90090	0.7
71.01375	56.1
72.01719	0.8
72.99296	2.3
73.02934	36.4
83.01371	10.9
85.02943	26.9
85.03445	1.4
87.00861	2.1
89.02433	21.2
90.09669	0.6
90.29087	0.6
95.01379	9.9
97.02939	1.0
98.19896	1.2
99.00873	1.6
101.02434	36.2
102.02792	0.8
113.02438	57.8
114.02751	1.2
115.08768	0.7
119.03579	8.8
119.05015	44.9
120.05396	1.0
120.16470	0.6
120.69246	0.7
123.04526	1.5
125.02453	1.4
131.03499	2.3
135.04517	18.4
136.04839	1.0
137.06093	2.7
143.03514	4.8
149.04523	4.6
155.03503	0.9
158.13341	0.7
161.04538	9.3
174.51601	0.7
179.05679	1.2
203.05675	0.9
221.06664	1.8
281.10263	56.8
282.10550	4.3
297.09735	0.8
299.11362	9.7
315.11002	2.1
341.12354	70.7
342.12784	6.6
377.72195	0.8
461.16568	75.4
462.16977	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	847.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.9
61.98826	23.1
68.99825	1.7
69.03468	1.4
70.47501	4.1
71.01376	19.5
72.99274	1.5
73.02936	3.6
78.95900	3.9
83.01389	3.5
85.02942	8.6
87.00898	1.3
89.02438	9.8
95.01409	2.0
96.95997	5.6
99.00864	2.0
101.02438	14.3
111.04504	1.3
113.02429	11.2
119.03449	3.1
121.02953	2.2
125.02419	2.0
133.02994	1.2
134.03700	2.8
135.04500	2.8
137.09749	1.9
159.03050	1.2
161.02443	1.8
161.04544	2.3
165.01840	1.1
179.03522	1.8
179.05574	1.3
180.55598	1.1
193.05081	2.0
195.06473	1.2
202.38570	1.0
223.06093	2.0
232.13181	1.1
371.14944	1.3
383.49146	1.2
403.12503	1.8
463.26260	1.4
469.33276	2.4
487.34222	15.9
488.34607	2.9
517.15302	1.3
649.39209	9.8
710.88544	1.3
715.30194	3.0
811.44733	100.0
812.45221	21.0
847.42462	74.4
848.42932	17.6
866.65741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	16.1
61.98824	14.2
64.19971	1.3
64.44630	1.3
69.03424	3.0
71.01379	16.1
71.62897	2.3
72.99293	4.0
73.02913	5.4
75.00862	11.3
83.01354	2.9
83.05004	3.0
85.02935	17.4
87.00841	4.4
87.04478	3.9
89.02431	4.1
93.03423	4.3
95.05029	1.8
96.95966	3.5
97.02382	1.3
97.02942	9.6
97.06557	5.3
99.00896	1.6
101.02432	9.7
105.01934	6.5
108.02154	2.2
109.02905	4.3
109.06539	2.7
111.04476	3.2
113.02434	9.5
119.04991	1.5
119.08671	1.6
121.02903	4.6
121.06544	5.8
122.03769	2.3
123.04497	2.5
123.08146	1.6
123.78180	1.3
125.02427	16.3
125.06056	6.1
129.01900	2.7
133.02867	4.0
134.03702	4.6
135.04507	6.9
135.08133	6.3
136.01648	95.7
137.02328	5.7
137.06033	3.7
137.09703	59.5
138.06798	1.3
138.10042	3.4
139.07596	4.2
147.03015	7.3
147.04352	1.8
149.02428	1.6
149.05980	1.5
149.09673	2.1
150.03139	2.0
151.03987	83.6
151.11278	7.9
152.04347	3.0
153.05499	1.3
155.10757	68.5
156.11000	2.2
159.04358	1.7
160.05247	1.5
161.02460	8.3
161.04655	1.4
161.06018	2.0
161.09650	3.3
162.02968	2.1
163.06465	1.7
163.07643	25.2
165.05511	2.9
165.09122	5.6
167.10736	4.9
169.12201	2.3
175.03893	3.1
175.07614	1.7
176.04634	2.4
177.09157	5.0
179.03444	4.1
179.10751	17.8
181.08664	17.9
191.10759	2.7
193.04959	2.6
193.12225	1.8
195.06570	1.4
195.10234	40.4
196.10429	1.6
199.09727	19.2
203.10588	1.7
205.08638	8.7
213.11450	1.3
223.09703	29.4
237.11230	3.1
241.10764	16.8
265.10785	23.3
283.11792	9.8
313.10663	2.1
327.12167	6.7
329.12543	1.6
342.10953	4.5
343.14374	15.7
347.16846	4.0
357.13379	26.8
358.13901	2.5
389.23169	1.6
441.83655	1.6
492.49692	1.3
563.45264	1.4
649.39429	6.2
650.40521	1.5
651.39398	1.5
701.28088	100.0
702.28381	16.1
849.31311	74.9
849.47070	2.8
850.31720	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	851.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.9
65.00311	0.4
65.48360	0.3
69.03436	0.5
69.44595	0.6
69.45004	1.8
71.01359	0.6
71.79874	0.3
72.09382	0.3
77.03954	0.5
81.03432	0.3
83.01358	0.4
89.02422	0.8
93.03436	0.5
95.01301	0.3
95.04977	0.3
97.02918	0.7
107.01369	0.7
109.02943	1.7
111.00858	0.3
119.03387	0.3
119.04980	0.6
121.02926	2.1
123.00834	0.5
125.02417	1.0
132.02194	0.3
133.02930	12.3
133.86301	0.3
134.03726	0.4
135.00880	0.3
135.04501	1.1
137.02422	0.5
139.11316	0.3
145.02946	0.4
147.04474	1.1
149.02438	1.6
151.00313	0.6
151.03983	0.6
152.07166	0.7
161.02393	1.6
163.00291	1.5
163.03975	3.3
165.01910	1.7
165.39534	0.3
173.02408	0.4
173.04494	0.4
174.03224	0.4
175.00298	0.4
175.03973	3.3
177.01970	0.6
183.10240	1.4
185.06059	0.3
191.03397	1.7
192.06590	0.4
193.01318	1.8
198.03011	0.3
199.03960	1.2
201.01855	1.6
209.37514	0.3
211.03961	0.5
212.04707	0.3
213.05510	0.9
215.03438	0.7
217.04988	0.4
219.71295	0.3
225.05458	0.6
227.03511	0.5
227.07059	0.4
229.05066	0.4
231.06467	0.6
237.05507	0.4
239.03366	0.4
240.04254	0.8
241.05109	0.9
242.01952	0.4
243.03056	0.4
253.04971	0.9
254.05852	0.3
255.02972	0.7
255.06616	0.7
256.03824	0.5
257.04510	0.4
266.02390	0.4
266.05499	0.3
269.04596	1.0
271.06210	0.5
281.04480	0.5
284.03198	9.3
285.03961	6.7
286.04184	0.3
297.03983	15.2
298.04721	8.8
299.05524	18.3
300.05902	0.9
307.55267	0.3
309.04083	1.1
311.05576	2.7
324.02621	0.3
325.03439	0.9
327.05029	100.0
328.05377	8.1
328.09000	0.6
331.14127	1.4
339.05026	3.7
341.06577	1.0
357.06085	26.0
357.14636	0.9
358.06384	2.3
369.06107	2.3
370.06274	0.4
393.06204	1.0
425.12424	0.3
447.09250	99.0
448.09634	11.2
448.15884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
62.98495	0.1
66.01182	0.1
70.30997	0.4
216.17390	0.1
381.09561	0.1
522.94867	0.1
545.92371	0.1
592.19543	0.1
864.22595	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	853.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.3
69.41490	2.1
71.01379	5.9
72.99316	0.4
73.02937	0.5
83.01362	0.6
85.02942	5.3
87.00858	0.8
89.02437	2.3
95.01381	1.7
95.04958	0.3
96.96012	0.5
97.02907	0.3
101.02433	1.5
104.02673	0.3
104.55039	0.2
104.61240	0.3
105.03442	1.0
106.57376	0.2
107.05038	0.4
109.02969	0.4
111.04523	0.3
113.02435	10.6
117.03470	1.1
119.03466	0.7
123.04498	1.8
127.03965	0.4
132.02156	3.1
133.02940	48.6
134.03317	1.6
134.06480	0.3
135.04504	17.1
136.04868	0.4
137.02399	0.3
143.03506	0.4
145.35907	0.3
153.05551	1.0
159.11743	0.9
161.02423	100.0
161.32481	0.3
162.02756	4.7
177.05505	0.3
179.03459	3.0
180.03824	0.4
185.09688	0.4
195.06651	0.3
203.10712	1.9
247.09654	0.6
297.09741	0.5
303.86740	0.3
315.10654	1.5
443.15375	0.8
444.15826	0.3
461.16544	4.9
462.16837	0.5
605.18225	0.9
623.19604	3.1
624.20026	0.5
647.26758	1.4
691.25983	12.4
692.26404	1.8
717.23981	0.4
761.22992	0.4
809.30139	22.7
810.30475	4.7
853.28979	10.9
854.29462	2.4
860.38190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98838	0.3
61.98828	0.6
69.03439	0.5
69.47150	0.8
69.47565	1.6
71.01375	6.6
72.99294	0.5
77.03985	0.4
78.95916	0.3
81.03442	0.4
83.01397	0.5
85.02939	6.7
87.00863	1.0
89.02433	4.0
89.03935	0.4
90.16711	0.3
91.05519	0.3
95.01371	2.1
95.04963	0.3
96.96006	2.1
97.02927	0.5
101.02444	2.4
105.03444	1.0
107.05045	0.6
109.02965	0.5
112.24148	0.3
113.02437	11.9
115.01869	0.5
117.03461	1.5
119.03504	1.2
121.81839	0.3
123.04505	2.1
124.01747	0.3
127.03989	0.6
128.62735	0.3
132.02136	3.3
133.02939	45.3
134.03233	1.7
135.04509	16.7
136.04840	0.8
137.06030	0.4
143.03491	0.5
145.03009	0.6
153.05525	1.4
159.11765	1.0
161.02420	100.0
162.02776	4.3
179.03458	4.0
179.10745	0.8
185.09637	0.4
189.48599	0.3
203.10806	1.4
221.12302	0.3
247.09700	0.5
315.10806	2.1
321.14963	0.5
343.83069	0.3
443.15518	1.1
461.16574	9.1
462.16833	0.5
511.23798	0.6
529.24146	0.5
553.21313	0.3
599.19678	0.4
605.18390	1.6
623.19617	4.3
624.20349	0.8
647.26855	1.6
691.25946	16.1
692.26172	3.3
717.24005	0.5
761.23700	0.6
809.30145	17.8
810.30457	4.6
817.33289	1.1
853.28967	7.5
854.29474	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	853.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01699	2.7
66.41587	0.7
69.46068	5.0
93.03451	2.1
121.02942	34.4
122.03650	1.0
135.04480	1.8
136.01706	1.5
140.22575	0.6
144.11139	0.6
151.03976	1.6
162.03204	0.8
163.03976	1.1
277.21640	2.1
326.07828	0.7
356.12585	51.9
357.12979	4.6
371.14935	100.0
372.15277	9.6
485.99960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	31.9
69.40765	1.5
69.41192	0.5
71.01376	4.0
72.99316	0.3
73.02953	0.4
75.75919	0.2
77.03955	0.4
80.21334	0.2
80.60099	0.2
83.01351	0.3
83.04959	0.2
85.02936	4.1
87.00820	0.2
89.02429	2.4
89.03950	0.7
90.24114	0.2
91.05555	0.2
95.01374	1.6
96.95999	0.6
101.02402	1.2
104.02680	0.4
105.03400	1.3
113.02430	6.9
114.02744	0.3
117.03460	2.1
119.03479	0.5
120.47325	0.2
123.04523	0.9
132.02145	2.7
133.02939	46.3
134.03197	3.0
135.04509	8.7
135.05351	0.2
136.04858	0.9
147.03314	0.3
153.05489	0.3
158.02573	0.2
159.03215	0.5
159.11723	0.3
161.02419	100.0
162.02762	7.8
174.05618	0.5
179.03458	2.3
193.05093	0.3
196.72604	0.2
197.64041	0.2
203.10722	0.3
204.40332	0.2
275.04709	0.2
286.30048	0.3
303.11221	0.6
370.31329	0.3
444.16574	0.3
461.16656	0.9
462.16714	0.3
507.78879	0.2
623.20227	0.4
624.20001	0.6
629.23303	1.8
647.27405	0.3
648.27185	0.4
691.26434	0.6
692.25653	1.4
791.26569	35.2
792.26843	7.8
810.30670	3.5
811.31042	0.7
854.29266	2.2
855.29675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98852	0.3
67.24339	0.3
68.78195	0.3
69.43492	2.6
71.01367	6.4
73.02953	0.4
77.98624	0.3
83.01389	0.5
85.02943	5.9
88.98817	0.6
89.02425	2.2
89.03981	0.5
95.01357	2.1
96.96004	1.5
101.02410	0.8
105.03465	1.3
107.05002	0.6
113.02431	11.3
114.02731	0.3
114.16397	0.3
115.01918	0.5
117.03494	0.6
119.03535	0.4
123.04523	2.3
130.14325	0.4
132.02136	3.0
133.02939	48.5
134.03223	1.8
135.04507	17.8
136.04848	0.6
143.03543	0.5
153.05573	1.3
156.53529	0.3
161.02420	100.0
162.02788	3.6
179.03468	3.1
179.05025	0.5
180.03876	0.4
205.12361	0.4
315.10895	1.3
343.41516	0.4
379.21597	0.5
461.16553	4.6
606.87738	0.4
623.19666	5.8
624.19409	0.6
649.28473	3.0
650.29358	0.6
656.60883	0.4
693.27209	4.6
694.27582	0.8
811.31659	29.8
812.31958	6.0
855.30518	6.9
856.31085	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00307	0.2
68.22827	0.2
70.35143	0.4
71.01375	4.9
72.95882	0.2
72.99332	0.2
73.02951	0.2
74.21175	0.2
83.01380	0.3
85.02941	5.3
87.00862	0.4
89.02436	2.4
89.03971	0.6
93.03451	0.2
95.01379	1.7
96.52763	0.2
96.96013	0.3
97.02950	0.2
98.19926	0.2
99.04515	0.2
101.02431	0.9
105.03438	0.9
107.05035	0.3
108.02243	0.2
109.02990	0.3
113.02436	11.0
115.01868	0.4
117.03470	1.3
119.03500	0.5
123.04517	1.4
127.04042	0.2
132.02158	2.8
133.02942	47.5
134.03246	1.7
135.04510	15.9
136.04851	0.7
140.49059	0.2
143.03482	0.4
145.02907	0.2
151.03954	0.2
153.05536	1.3
161.02423	100.0
162.02759	4.0
163.04092	0.2
179.03485	3.1
205.12257	0.3
297.09680	0.4
315.10828	1.4
420.87076	0.2
443.15265	0.2
461.16617	7.0
461.23184	0.3
462.17062	0.6
477.68619	0.2
602.08557	0.2
605.18817	0.6
623.19708	9.0
624.20117	1.5
649.28638	0.6
693.27509	6.4
694.27832	1.1
811.31689	28.3
812.31927	6.8
837.30042	0.3
855.30652	6.0
856.31030	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	855.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01698	3.3
61.98823	3.6
68.90605	0.7
69.88194	3.5
75.44597	0.7
93.03456	3.4
116.61134	0.8
117.47964	0.7
121.02930	29.1
122.03747	0.7
135.04501	2.0
136.01581	1.8
151.04001	1.5
163.03986	1.1
166.08127	0.8
182.84354	0.8
198.04163	0.7
205.32712	0.8
279.23193	2.6
356.12604	56.7
357.12827	5.2
371.14926	100.0
372.15289	9.6
443.29990	0.8
480.08322	0.7
491.17303	0.7
788.39594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99301	3.3
61.98826	1.8
71.01373	9.1
71.61968	0.4
72.99310	0.7
73.02941	1.6
76.43955	0.2
79.95722	0.2
83.01388	0.8
85.02946	3.0
85.58210	0.2
87.00856	1.2
88.00422	0.3
88.98801	16.5
89.02437	9.9
93.03444	0.3
95.01374	1.1
96.96002	1.5
97.02943	0.3
101.02431	9.7
113.02433	6.6
119.03487	6.0
125.02430	1.7
131.03471	1.0
133.02959	0.5
134.03694	0.4
135.04492	0.8
137.02382	0.3
137.09729	0.4
138.62347	0.2
141.01691	0.3
143.03455	1.6
146.99243	0.2
149.04459	0.3
161.02452	0.5
161.04544	6.7
162.04803	0.3
179.03448	0.4
179.03705	0.5
179.05582	7.5
193.05035	0.4
221.06642	2.2
263.07709	0.6
305.08667	0.7
305.62772	0.3
323.09824	1.3
341.10312	0.4
393.31378	0.4
407.33029	1.1
425.34143	0.3
427.31903	0.6
453.33459	0.5
471.34723	100.0
472.35062	14.8
472.41956	0.4
485.36240	0.9
513.35931	1.3
525.88129	0.3
529.35443	0.3
543.37048	1.1
555.36237	0.4
633.30859	0.3
633.39471	1.5
675.41205	2.3
676.41101	0.4
717.42010	1.0
795.45233	3.2
796.45331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99298	16.5
61.98819	4.9
64.61983	0.5
71.01373	10.9
72.99304	0.9
73.02943	2.7
73.44251	0.5
75.00864	1.1
83.01379	1.8
85.02546	0.6
85.02953	5.2
87.00887	2.7
88.00372	1.0
88.98795	100.0
89.02427	10.4
95.01361	1.1
96.96000	3.7
101.02439	6.8
104.11789	0.6
113.02437	4.2
116.92845	0.9
119.03473	0.7
134.03691	0.8
135.04512	1.2
148.34926	0.6
159.02913	0.8
161.02406	0.8
161.04544	0.8
161.31660	0.6
171.10179	0.8
179.05571	0.8
193.04988	0.6
261.36005	0.6
279.28275	0.6
323.09851	0.6
341.23370	1.9
471.34708	30.5
472.34952	3.6
480.85986	0.6
505.00296	0.6
615.39557	1.0
633.40033	4.6
795.45184	50.1
796.45447	10.3
855.45154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	2.3
70.99564	0.6
70.99902	0.6
71.01369	10.9
71.05413	0.6
72.99286	1.1
73.02953	3.2
83.01368	1.9
85.02941	6.7
87.00853	1.0
88.98808	1.2
89.02448	6.4
89.69891	0.6
93.03460	0.9
93.76350	0.6
95.01374	1.3
96.95993	2.6
99.00867	1.7
101.02434	15.2
111.00871	0.9
113.02431	12.3
117.03453	1.4
119.03500	7.0
121.02939	2.7
122.03699	2.7
125.02347	0.6
127.03938	0.7
132.02219	0.9
133.02931	1.3
134.03729	36.0
135.04430	3.5
136.01691	0.9
137.02426	2.1
139.03999	1.1
141.82616	0.7
143.03467	1.7
149.02412	4.4
149.06042	6.7
150.03204	13.1
151.03795	0.7
160.01669	4.5
161.02388	2.5
161.04527	12.4
165.01956	0.8
165.05542	16.9
166.05817	0.8
175.03981	6.0
176.23395	0.7
178.02675	6.8
179.03403	1.7
179.05606	2.1
180.04184	1.3
193.05028	62.6
194.05344	2.9
195.06589	9.5
209.93130	0.5
221.06546	1.1
243.84863	0.7
263.07458	0.7
264.01398	0.6
267.06570	0.8
282.08737	1.3
291.08841	1.2
298.24377	0.7
341.10254	7.9
342.10489	1.0
353.10303	1.8
371.11319	8.2
389.12369	12.6
390.12646	1.5
425.42853	0.6
471.34720	100.0
472.35001	14.6
485.35922	1.7
513.35986	2.2
543.36774	1.8
614.11615	0.6
623.27008	43.2
624.27332	7.7
633.39874	7.8
634.39923	0.9
675.41711	3.4
717.42322	1.5
795.45294	18.0
796.45862	3.1
819.34131	4.6
820.35242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.411
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01714	0.3
61.01791	0.2
61.91605	0.1
61.98821	100.0
62.05910	0.1
62.98527	0.2
68.98318	0.1
69.40746	0.4
121.02963	0.2
133.85620	0.1
205.87740	0.1
356.12628	0.2
357.13074	0.2
358.13431	0.2
371.15088	0.2
372.15353	0.3
373.15488	0.3
374.15878	0.1
379.34103	0.1
390.05573	0.1
519.84998	0.1
741.22211	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	857.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82151	0.4
61.98829	0.9
70.21573	0.4
71.01376	9.7
71.60884	0.7
85.02940	11.4
87.00861	0.7
89.02442	4.5
89.03973	0.5
95.01376	3.9
96.96018	0.9
99.04523	0.9
101.02438	3.2
103.03959	0.5
105.03453	1.0
107.04971	0.6
111.71084	0.4
113.02438	23.7
115.01828	0.7
117.03435	1.4
119.03503	0.7
123.04523	2.2
127.04026	0.6
132.02153	3.7
133.02940	52.7
134.03189	2.0
135.04510	25.6
136.04842	1.3
143.03438	0.6
145.02979	0.5
153.05537	1.6
161.02425	100.0
162.02762	5.7
179.03502	3.0
189.12869	0.7
189.43219	0.4
193.62886	0.4
206.84157	0.5
207.13863	0.9
251.12825	1.7
297.09723	1.0
315.10858	3.1
461.16537	10.8
462.16733	1.1
535.91486	0.5
560.34363	0.4
623.19666	2.8
624.20221	0.7
695.29077	50.8
696.29425	7.3
813.32648	1.4
839.31055	0.5
857.32233	30.2
858.32794	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	857.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79977	0.8
61.98815	1.3
65.03969	1.8
67.01879	12.9
68.99811	17.3
69.03455	8.0
71.01375	11.6
73.02946	7.9
75.00860	1.5
75.98079	0.7
78.52338	0.8
81.03439	1.4
83.01374	1.5
83.05021	5.8
85.02931	8.3
87.00867	1.8
89.02429	3.4
91.05531	2.6
93.03448	40.6
94.03799	0.8
95.01376	6.4
95.05025	1.2
96.95962	0.9
97.02932	1.2
97.06609	1.3
99.00867	4.0
99.04509	2.5
101.02428	19.8
102.02804	0.8
107.05016	7.5
109.02930	2.1
111.00867	59.3
111.04503	27.6
111.08135	1.2
113.02436	14.8
115.57477	0.7
117.03450	2.3
119.03535	1.7
119.05004	8.0
121.02929	6.9
123.04514	2.9
125.02431	3.6
125.06053	2.4
127.03998	20.6
133.03003	0.9
135.03481	1.2
135.04512	21.7
137.02425	21.8
137.06093	3.8
139.00357	28.6
139.07640	1.5
140.00688	1.3
143.03510	1.6
145.02968	3.9
149.02417	3.4
149.06012	1.8
151.03989	2.7
151.07635	4.0
153.01910	1.5
153.04301	1.0
153.05554	18.6
161.02353	2.7
161.04541	1.1
163.03986	20.0
165.01878	9.0
165.49886	0.8
167.07057	1.2
171.02977	1.8
177.05502	4.5
179.03487	10.9
179.05019	1.1
179.05518	0.7
180.18417	0.7
181.04951	0.8
189.01888	1.7
193.04942	0.9
195.06599	32.1
196.06915	1.0
207.02972	8.0
221.04495	2.7
239.05582	9.3
255.21202	1.4
261.22159	1.0
263.23718	1.1
273.07642	29.6
273.22131	4.2
274.07919	2.0
275.05545	19.7
276.05835	1.3
277.21661	34.1
278.21979	2.9
281.06607	2.6
287.09039	1.6
291.08759	2.6
291.23257	25.6
292.23523	2.7
299.09271	1.4
301.21777	2.8
307.08179	100.0
308.08459	7.1
315.08682	38.1
316.08981	2.3
319.22696	11.8
320.23044	1.3
329.09744	1.1
333.09750	16.2
334.09830	1.3
343.08163	7.4
349.23477	1.4
357.09659	3.4
361.09222	3.4
375.06021	1.0
375.10764	16.9
376.11313	1.2
385.09079	0.9
398.06326	0.9
403.10300	2.8
435.12863	17.5
436.13303	2.4
563.47614	0.9
579.17377	4.8
597.18207	12.8
598.18402	1.5
617.38269	2.0
618.38373	2.0
619.38605	1.0
678.15405	1.0
735.48132	0.8
771.12177	1.0
857.39612	6.9
858.39056	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	857.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	1.8
71.01374	7.2
71.05025	1.3
71.62793	0.6
72.99304	0.8
73.02931	0.9
82.95413	1.9
83.01373	1.8
84.36387	0.6
85.02946	3.1
89.02438	2.9
93.03468	0.6
96.95998	4.1
101.02438	14.2
107.05035	0.6
110.23991	0.5
111.00904	0.5
113.02435	1.6
119.03500	2.4
126.28860	0.6
131.03465	2.3
133.02933	1.3
134.03763	1.0
135.04506	2.1
137.02414	0.8
145.02852	0.5
149.04538	1.0
159.04500	1.0
161.02411	3.3
165.01984	0.5
175.03983	0.5
179.03436	1.8
188.57663	0.5
191.05571	2.2
193.05103	0.8
195.06552	0.5
196.63718	0.5
301.97113	0.6
439.32288	0.7
441.33823	1.5
443.31650	1.7
457.33273	0.6
459.34680	1.3
483.32263	0.6
485.32620	10.4
486.32974	0.8
503.33707	100.0
504.34064	11.8
517.35382	0.9
545.34747	18.3
546.35217	2.5
575.35870	1.5
617.37311	2.7
635.39673	1.2
677.38928	13.6
678.39496	2.5
695.22968	1.9
719.40002	6.8
720.40826	1.4
797.43182	18.8
798.43097	3.5
849.37933	0.6
857.31335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98805	1.4
67.96513	0.4
71.01368	5.0
71.62151	0.6
75.63351	0.5
78.56409	0.4
79.05524	0.7
81.03442	0.8
81.07107	1.1
85.02946	1.7
89.02430	4.1
90.30135	0.5
95.05027	0.8
96.95999	15.2
99.04498	1.9
101.02421	2.2
102.05572	1.2
107.00864	0.5
113.02419	3.0
119.03479	1.0
122.02464	1.2
133.02966	2.8
135.04507	1.4
137.06143	0.6
145.02933	1.0
161.02437	4.6
161.04521	0.7
161.13341	6.7
162.02711	0.8
178.08748	1.4
179.03476	1.3
187.11256	3.5
205.12302	21.6
206.12625	1.3
222.07700	1.0
229.12422	0.8
249.11279	100.0
250.11635	5.0
411.16833	24.4
412.17181	2.5
446.18195	3.3
447.18417	0.5
461.09515	0.6
498.60101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	1.5
67.01893	2.5
68.76077	0.3
71.01373	4.6
71.61929	0.7
73.02939	0.8
78.65857	0.3
83.01331	0.5
85.02932	5.0
89.02430	2.4
93.03449	0.7
95.01375	2.0
95.05021	0.7
96.95998	1.4
98.38930	0.4
101.02426	1.3
105.03479	0.4
107.05006	0.4
109.02929	1.0
111.00860	3.3
113.02425	8.1
117.03441	0.8
119.03549	0.7
121.02945	0.9
123.04523	0.8
125.02395	0.6
125.37894	0.4
127.03992	1.8
132.02168	2.4
132.02997	0.4
133.02939	35.3
134.03769	4.7
135.04509	30.8
136.04832	1.2
137.02423	1.5
139.00351	8.1
139.03973	0.4
141.03632	0.3
143.03485	0.5
145.02908	0.7
149.06036	0.4
150.03207	0.6
151.00357	0.4
151.03915	0.7
153.05548	0.8
160.01672	0.5
161.02422	100.0
162.02748	4.0
165.09181	8.6
171.03021	0.7
173.04547	1.1
175.04027	0.5
177.05595	0.6
178.02710	1.0
179.03471	31.9
180.03880	1.0
193.05037	0.9
203.03490	1.0
203.07141	0.6
245.04457	0.5
251.05469	0.8
285.03952	4.1
305.06271	0.4
315.10715	1.1
339.14273	2.7
395.20819	0.5
440.21512	0.4
477.13931	32.5
478.14465	3.1
487.14282	1.8
557.52386	0.4
577.19519	0.5
621.18384	0.9
622.18726	3.0
623.19714	8.7
624.19989	1.0
691.22296	45.8
692.22754	8.0
717.23914	1.2
723.66608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.5
71.01372	18.9
71.60620	0.4
72.99313	0.9
73.02937	23.0
74.03281	0.5
75.00851	0.4
81.20049	0.3
83.01374	5.6
85.02943	3.2
87.00869	1.0
89.02431	8.4
91.05534	0.3
95.01392	1.1
95.53075	0.3
97.02916	0.3
99.00896	0.6
101.02431	16.2
102.02760	0.5
107.05008	0.6
113.02436	7.3
119.03489	3.1
119.04987	2.0
123.04507	1.6
125.02422	0.4
131.03485	1.3
134.03751	0.7
135.04509	40.7
136.04843	1.2
137.06076	0.3
143.03494	0.8
149.04544	0.5
153.05539	1.4
155.03487	0.4
161.04599	1.3
163.04048	1.4
173.04575	0.3
179.05560	0.7
181.45149	0.3
208.05890	0.3
214.49727	0.3
297.09750	9.6
298.10178	0.6
315.10812	26.7
316.11191	1.9
357.11853	100.0
358.12201	7.6
461.16357	0.3
597.28900	0.3
625.78741	0.3
642.21979	0.3
734.76135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98805	0.8
71.01379	0.1
78.95892	1.2
79.22509	0.1
79.95729	3.8
85.02924	0.1
93.03457	0.1
96.95998	100.0
97.95917	0.3
107.64343	0.1
113.02464	0.1
133.02913	0.3
135.04510	0.5
161.02422	0.3
165.05495	0.1
179.03494	0.4
196.63495	0.1
223.06122	0.1
280.49420	0.1
520.12457	0.1
792.78320	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	863.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	4.6
66.25243	0.2
70.21347	0.4
71.01358	0.4
76.15402	0.2
78.91872	0.3
78.95882	1.2
79.51515	0.2
79.95728	3.4
82.95419	0.3
87.44720	0.2
96.96002	100.0
97.95944	0.3
98.95544	0.4
101.02452	0.3
121.02907	0.2
134.03735	0.6
135.04526	0.3
147.43707	0.2
161.02426	0.6
179.03488	0.2
193.05083	0.5
223.34886	0.2
354.10437	0.2
419.89810	0.2
423.96707	0.2
528.55786	0.2
543.57733	0.2
699.63489	0.2
827.42090	0.3
863.42151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	11.8
71.01373	0.3
71.61973	0.1
78.95882	1.1
79.95728	4.1
96.95998	100.0
97.95945	0.4
113.02476	0.2
118.07200	0.1
133.02966	0.2
134.03720	0.2
135.04521	0.5
161.02406	0.4
179.03477	0.5
235.05994	0.1
240.99020	0.1
267.06458	0.1
323.79898	0.1
324.05670	0.1
338.07706	0.2
339.08298	0.2
353.10254	0.6
354.10806	0.5
355.10806	0.4
417.18484	0.1
437.38864	0.1
471.34680	0.1
654.22681	0.1
773.33057	0.2
785.33337	0.2
803.34528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	2.1
69.51804	6.9
71.01372	27.0
72.99283	1.0
73.02943	2.2
75.00831	1.0
75.57686	0.9
77.30309	0.8
79.05521	3.5
81.03429	1.0
83.01376	3.6
85.02936	5.6
89.02436	14.0
91.05520	2.0
95.01431	1.3
95.04982	1.1
96.95993	17.2
97.02946	8.4
99.00849	1.1
101.02435	8.1
107.05016	3.1
109.06572	1.4
111.04484	1.5
113.02444	9.6
117.07059	1.8
119.03484	4.4
119.10952	1.0
119.57491	0.9
125.02410	2.3
129.07065	2.5
133.02950	3.8
135.04501	3.7
137.09749	1.8
143.03503	0.9
143.08609	5.5
147.04491	3.4
155.08664	1.2
157.10228	1.9
159.11768	23.7
161.02412	9.4
162.02908	1.0
169.06567	1.0
170.07358	7.7
179.03511	2.5
179.05580	4.4
183.08138	3.7
183.11778	2.4
185.09695	19.2
192.11508	3.8
201.12849	2.1
203.05598	16.2
203.10745	39.6
204.11125	1.7
207.13860	28.9
208.14125	2.2
211.07651	1.3
227.10713	4.2
229.08607	6.7
245.11803	1.6
247.09712	100.0
248.10081	6.6
250.32019	1.0
271.09625	9.6
289.10693	3.7
305.17816	0.9
319.11877	1.4
349.12659	2.8
391.13605	1.0
409.14963	53.2
410.15387	5.0
865.37762	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	867.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09331	8.0
61.98820	64.0
71.01377	91.3
71.62388	11.0
73.02945	29.6
83.01368	17.6
84.54292	8.3
85.02974	51.6
88.98808	9.5
89.02450	9.2
95.01405	20.3
96.96004	100.0
98.95598	12.7
99.00860	23.3
101.02427	52.7
113.02438	38.3
135.04491	10.7
142.54280	9.0
159.02925	9.6
161.04556	31.3
175.67801	8.6
177.21283	9.4
188.01471	9.2
290.30136	9.5
513.34711	9.9
603.43152	10.0
632.77832	10.6
738.22247	11.1
747.46796	47.7
765.48096	30.3
807.48895	55.7
809.43097	16.1
867.36719	43.7
867.52759	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	868.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50484	0.1
61.98822	100.0
62.98510	0.2
66.13672	0.1
70.24514	0.3
78.95938	0.1
80.47913	0.1
82.95421	0.1
93.80903	0.1
102.60531	0.1
152.99557	0.1
199.52196	0.1
293.21259	0.2
294.21692	0.2
295.21826	0.2
437.42474	0.1
474.32648	0.1
869.48456	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	869.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	2.5
64.63809	0.3
65.00318	15.0
67.01886	1.0
67.87937	0.3
68.99809	2.9
69.38229	2.9
71.01376	1.2
81.03449	0.4
83.01377	5.7
85.02938	1.6
85.15090	0.4
89.02452	1.0
93.03460	1.7
95.01392	0.5
99.04527	0.4
101.02430	6.9
107.01381	21.7
107.05020	0.7
108.01686	0.5
108.99255	0.4
109.02957	3.0
111.00878	3.2
111.04510	0.6
113.02454	0.5
119.05019	2.1
121.02931	1.6
121.45358	0.3
123.04521	0.7
125.02437	4.9
127.03997	3.8
133.02983	0.9
134.03758	2.1
135.04510	98.7
136.04840	3.3
137.02451	1.1
137.06056	1.0
137.60915	0.3
139.00375	1.3
143.03529	0.6
149.06082	0.4
151.00354	100.0
151.07605	4.2
152.00713	2.7
153.01971	0.7
153.05566	0.8
159.04471	0.3
161.02403	2.4
161.04509	0.3
163.04013	1.3
165.01877	0.9
169.01363	1.7
171.02971	0.8
173.04514	0.9
177.01935	1.1
177.05493	0.5
179.03467	3.9
179.05635	0.3
189.01941	0.8
193.05142	0.5
195.06583	2.9
199.04062	0.5
216.75697	0.3
221.04488	0.6
225.05511	0.3
239.05592	0.7
257.08139	1.0
269.04514	0.6
275.09061	1.0
285.04025	2.6
286.04321	1.9
287.05582	66.6
288.05975	4.5
291.08713	23.2
291.12042	0.7
292.09052	1.8
315.12344	5.9
317.10263	6.9
318.10529	0.7
327.08575	0.6
359.11371	5.1
360.11816	0.5
419.13416	11.7
420.13748	0.8
420.86981	0.4
433.65121	0.3
562.53876	0.4
581.19141	2.0
582.18732	0.5
869.29755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	0.2
70.36292	0.5
71.01375	23.2
72.99299	0.9
73.02952	1.6
79.45575	0.2
83.01382	1.6
84.02168	0.3
85.02942	19.5
87.00864	0.9
89.02436	10.1
95.01377	7.3
96.01692	0.3
96.95987	0.3
97.02957	0.3
99.00883	0.9
101.02437	5.5
102.02750	0.2
103.04025	0.3
107.04990	0.2
107.08684	0.4
109.06553	1.1
111.00873	0.2
113.02438	39.5
114.02766	1.1
119.03476	2.0
121.06579	1.9
123.04512	1.5
127.04023	0.2
131.03493	0.5
133.06625	1.1
134.03729	0.7
135.04510	25.7
135.08156	0.4
136.04820	1.0
139.00377	0.3
139.07623	0.3
143.03476	1.1
149.04585	0.2
149.06090	0.3
151.07628	4.1
152.07964	0.3
153.05571	1.4
153.58092	0.2
161.04547	2.4
165.05557	0.6
169.08627	0.4
177.05626	0.4
179.05710	0.2
183.06606	0.4
183.10280	0.3
189.10532	0.2
191.02008	0.3
195.06641	0.3
224.48370	0.2
297.09671	1.5
313.12820	1.8
314.13147	0.4
315.10794	3.7
315.14127	0.4
316.11029	0.3
345.11884	0.4
357.11829	2.0
358.12009	0.3
375.12900	1.4
377.14532	1.5
389.14481	4.4
390.14752	0.7
407.15475	7.4
408.15936	0.7
409.15933	0.2
447.14835	0.3
461.16562	100.0
462.16974	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	869.492
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48126	0.2
69.30838	1.1
69.31265	0.6
79.95732	2.2
80.12920	0.2
96.95998	100.0
97.95905	0.2
98.20625	0.4
109.43246	0.2
113.02445	0.2
117.03455	0.6
119.05003	0.3
135.04491	0.4
145.02948	1.1
161.02438	1.1
179.03535	0.3
248.13741	0.2
336.99292	0.2
379.21527	72.4
380.21857	5.0
576.22168	0.2
690.61847	0.2
742.15082	0.2
826.99518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	1.4
69.52118	3.1
71.01373	17.1
72.99281	1.5
73.02934	4.7
75.00848	1.0
78.19023	0.4
79.67788	0.4
83.01383	3.5
85.02943	8.4
87.00852	1.3
88.98764	0.8
89.02441	6.9
95.01369	1.5
96.95984	1.5
97.02946	0.8
98.20611	0.6
99.00853	1.6
101.02428	12.8
105.40417	0.4
111.00834	0.9
113.02431	7.0
113.91016	0.5
118.61113	0.4
119.03487	1.8
123.00467	0.4
125.02406	0.5
131.03453	0.6
134.03697	1.3
139.65828	0.4
153.09218	0.5
159.02965	1.0
161.02405	0.6
161.04517	1.2
174.89322	0.5
175.04018	0.5
179.03500	0.5
193.04942	0.8
201.41618	0.5
204.32426	0.4
221.06535	0.7
225.20915	0.4
273.05600	0.6
439.32166	0.8
469.33218	2.6
487.34222	16.1
488.34427	1.9
598.31799	0.5
607.23364	0.6
631.38684	2.2
649.39502	12.0
650.39893	1.6
811.44745	100.0
812.45160	17.4
871.38037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99288	1.3
61.98824	3.7
62.02855	0.4
68.99807	0.9
69.03452	0.6
69.24837	3.7
71.01376	10.7
72.99306	0.8
73.02939	2.7
75.00858	0.6
82.95406	1.2
83.01382	1.7
85.02946	5.9
87.00859	0.6
88.98801	6.5
89.02428	2.6
92.82416	0.4
93.03450	1.9
95.01379	1.8
96.96014	2.3
98.19910	0.8
99.00861	0.9
100.70615	0.4
101.02437	9.6
111.00852	1.5
113.02442	6.4
116.92828	0.6
117.03480	0.5
119.03490	2.1
119.05001	0.8
121.02924	0.5
123.04510	0.4
125.02432	0.7
127.04028	0.6
132.02151	0.4
133.02977	2.6
134.03746	3.8
135.04512	2.4
136.01628	0.9
137.02396	1.7
139.00366	0.9
143.03502	0.9
145.02960	0.8
149.02422	0.7
149.06030	0.7
150.03207	1.2
151.03928	0.9
153.05602	0.5
153.09193	1.4
154.44537	0.4
159.03006	0.6
160.01642	1.2
161.02444	4.9
161.04494	3.5
162.02745	0.7
164.04701	0.7
165.01877	1.2
165.05527	1.4
167.03394	0.7
169.26880	0.4
173.04529	1.3
175.04016	1.5
178.02745	0.6
179.03488	2.1
179.05473	0.4
180.04295	0.6
190.23294	0.4
191.05577	1.4
193.05025	3.7
195.06609	1.1
197.08154	0.9
221.06308	0.4
223.06044	0.8
273.07718	0.7
275.05698	0.6
285.04022	2.8
307.08112	1.4
315.08624	0.7
389.12549	1.1
469.33362	2.3
470.33817	0.6
487.34213	27.7
488.34448	4.2
529.35138	2.1
533.23993	0.8
605.41400	1.0
639.26337	1.1
649.39484	100.0
650.39832	16.9
669.38519	0.8
671.39728	0.9
691.40442	3.3
692.40997	0.8
711.73132	0.5
811.45044	3.1
871.31415	1.6
871.46783	3.4
872.47137	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78290	0.2
61.82475	0.2
67.97480	0.2
69.51757	0.2
70.35643	0.5
70.36009	0.4
71.01378	4.6
73.02945	2.1
83.01393	1.0
85.02946	3.8
87.00898	0.2
89.02426	1.6
89.03976	0.2
95.01389	1.0
98.19960	0.2
98.20496	0.3
101.02422	2.8
107.05001	0.6
107.77007	0.2
109.02950	0.3
113.02437	5.2
117.03429	0.4
119.03491	0.6
119.05007	3.3
132.02167	0.3
133.02943	5.5
134.03769	2.2
135.04510	58.3
136.04846	1.9
143.03505	0.3
149.04553	0.6
161.02428	15.5
161.04575	0.8
162.02731	0.8
163.03958	0.4
179.03474	100.0
180.03815	3.7
191.05606	1.5
203.03439	0.3
210.70457	0.2
245.04529	0.4
281.10245	4.5
282.10532	0.4
285.28946	0.2
291.35898	0.2
299.11227	0.9
323.07285	0.3
341.12338	6.7
342.12622	0.5
353.08557	0.3
385.11703	0.3
435.61029	0.2
487.14511	22.0
488.14798	2.3
498.28757	0.3
630.83246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	1.0
69.55321	4.0
71.01371	11.9
73.02925	0.9
73.75500	0.5
83.01357	0.8
83.05044	0.9
85.02938	10.5
87.00869	1.5
87.88696	0.5
89.02416	4.9
95.01364	4.0
96.96014	3.2
99.00885	0.7
101.02419	3.1
104.11269	0.6
105.03447	1.1
107.05009	0.9
113.02436	25.9
115.01804	0.8
117.03452	1.3
119.03496	1.1
123.04506	3.2
125.02419	0.7
132.02141	3.2
133.02937	52.0
134.03313	1.1
135.04507	33.4
136.04831	1.1
137.02377	0.7
143.03482	1.1
153.05563	2.3
161.02420	100.0
161.04579	2.7
161.09708	1.2
162.02722	3.4
163.11302	0.9
179.03439	5.4
189.09166	0.7
249.14598	0.6
297.09601	1.4
315.10770	4.7
315.17926	0.7
459.21976	0.6
461.16577	10.9
462.17090	1.4
623.19989	4.2
653.20178	1.4
693.28668	1.2
711.28577	31.1
712.28979	5.6
811.32141	0.6
812.31628	0.7
813.29657	2.1
873.31757	41.7
874.32233	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	873.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	0.6
61.98821	11.9
65.03938	0.5
67.01878	6.8
67.02247	0.3
68.99811	0.3
69.03444	1.8
71.01370	6.2
71.05006	0.2
72.99294	0.4
73.02930	1.2
79.05515	0.8
81.03448	1.5
83.01373	0.7
83.05019	2.4
85.02937	2.7
87.00881	1.3
87.04523	0.7
88.98812	0.4
89.02425	0.9
89.88526	0.3
93.03444	44.8
94.03786	1.2
95.01390	0.6
96.96014	0.7
97.02931	2.4
98.20704	0.5
99.00842	0.5
99.04472	0.3
101.02433	1.7
108.02184	0.7
109.02953	2.0
111.00847	1.5
111.04505	6.6
113.02435	2.6
115.03982	0.3
117.03443	0.6
119.03456	0.6
119.04969	0.5
120.05869	0.3
120.26704	0.2
121.02942	1.0
122.03722	0.6
123.04497	2.1
125.02411	1.1
127.03996	0.7
129.01923	0.3
131.08624	0.4
133.02945	0.7
133.06570	0.4
133.10214	0.5
134.03714	3.9
135.04521	1.4
135.08138	1.7
136.01640	15.3
137.02434	6.5
143.03502	0.3
145.02940	0.5
147.04446	0.3
147.08170	0.3
149.02444	0.9
149.06053	0.9
150.03214	2.3
151.03986	17.1
152.04335	0.4
153.05542	1.0
153.09183	4.8
154.09451	0.3
155.03481	6.0
157.10284	0.3
159.04468	0.4
159.08107	0.8
160.01558	0.6
160.05237	0.5
161.02417	0.9
161.04550	0.9
161.06067	1.9
162.04904	0.3
163.03990	1.0
165.05510	1.8
173.04517	100.0
174.04872	2.4
175.03987	1.1
175.07613	1.0
176.04741	0.5
177.05554	0.6
177.09219	1.2
178.02654	1.2
179.03445	1.0
179.05652	0.4
179.07140	0.9
189.09224	0.3
191.05577	2.3
191.07150	0.8
193.05002	4.2
193.08659	1.0
195.06587	0.9
197.08131	1.2
201.09256	0.6
203.07111	1.7
219.10168	0.4
221.08208	1.6
263.09219	1.3
265.07330	0.3
279.06763	0.3
282.08810	0.3
285.04044	0.8
312.09982	0.9
327.12250	3.7
328.12778	0.4
341.12708	2.6
342.11099	0.8
343.11755	0.7
357.13354	8.9
358.13672	0.9
371.11078	0.4
389.12424	1.8
427.11871	0.4
449.70267	0.3
487.34186	3.2
488.34512	5.3
489.34811	2.4
515.17542	0.3
529.35797	0.4
530.35278	0.5
587.48962	0.3
599.04291	0.3
649.39337	0.7
650.39746	3.0
651.40033	2.2
677.27985	1.0
693.41565	0.3
699.26428	20.3
700.26685	3.2
711.98334	0.3
734.43451	0.3
812.45172	0.4
813.45575	0.5
873.31763	11.5
874.32007	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	873.375
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	3.3
68.99809	9.9
69.03446	3.8
69.79563	1.7
71.01375	29.6
72.99303	3.0
73.02940	0.9
83.01404	1.9
84.55472	0.3
85.02939	5.7
87.00858	1.2
87.79943	0.3
89.02437	31.1
90.02786	0.5
95.01369	3.1
95.05022	3.2
99.00831	0.6
99.04491	0.4
101.02432	42.4
102.02766	1.0
111.00867	9.5
113.02435	11.3
113.03225	0.6
119.03490	13.0
121.02932	1.0
121.06668	0.4
123.04504	0.4
123.08163	0.4
125.02428	1.4
127.03993	9.8
131.03502	0.8
135.04521	0.7
137.06021	1.8
139.00356	5.1
139.03978	3.9
141.12907	0.6
143.03474	2.2
149.02428	0.8
149.04628	0.8
153.01939	1.9
161.04558	0.7
165.05476	0.6
169.12294	1.6
171.02966	2.6
179.05630	2.0
179.06998	0.4
181.05139	0.6
185.08057	0.5
187.13350	2.3
223.06010	0.8
259.09695	11.6
260.10077	0.9
291.08704	32.8
292.09106	2.3
315.18805	0.4
349.18607	100.0
350.18964	8.1
361.12869	39.5
362.13080	3.9
375.24911	0.4
403.12338	0.7
523.18109	12.2
524.18573	1.9
607.42804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	2.5
64.20659	0.9
69.03457	1.1
70.93398	2.0
71.01373	22.6
72.99306	1.9
73.02920	3.1
78.50861	0.9
79.38674	1.0
81.03429	1.0
83.01381	3.0
85.02933	4.7
87.00868	6.4
89.02434	24.1
95.01349	1.7
96.95981	3.9
99.00852	1.3
101.02425	19.2
113.02442	9.7
116.92813	2.1
119.03463	5.6
125.02463	5.3
131.03450	2.9
133.02899	1.3
135.04463	1.1
142.59644	1.2
143.03432	3.8
145.04948	1.2
161.02406	2.2
161.04536	4.6
171.10193	1.7
179.05579	8.9
189.83698	1.2
196.19122	1.0
220.85637	1.1
221.06573	3.9
235.08134	1.9
240.54367	1.1
277.21680	10.3
287.07474	1.3
351.54636	1.2
379.12411	1.8
383.12122	1.7
397.13541	5.1
415.14420	2.8
472.81360	1.1
485.14752	2.3
487.34131	3.4
488.34241	6.5
489.34641	1.5
559.18683	100.0
560.19086	10.3
577.19751	27.2
578.19836	2.8
837.41113	19.4
838.41608	3.9
873.38580	35.0
874.38879	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	873.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96403	0.4
74.85522	0.3
78.95895	53.1
96.96952	6.3
115.01531	0.3
124.04482	0.2
128.97940	0.3
150.97981	1.8
152.99567	100.0
153.99902	1.0
171.00607	3.8
277.21777	0.7
371.45999	0.3
431.21954	37.9
432.22351	3.1
846.59473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.6451
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	0.7
71.01374	3.6
71.62029	0.4
75.00857	0.6
82.11243	0.3
85.02931	0.6
89.02422	1.3
93.59168	0.3
101.02443	1.6
108.81794	0.4
113.02414	1.2
116.92810	0.4
161.04585	0.5
212.89268	0.3
222.23546	0.4
245.80341	0.3
255.23254	45.2
256.23676	2.5
269.24731	2.2
279.23303	1.3
297.24252	3.6
298.24863	0.5
309.24533	0.5
327.25208	1.5
368.28418	0.3
388.74640	0.4
399.27631	0.4
455.35260	100.0
456.35562	13.0
480.26196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99289	0.6
65.03948	0.2
67.01884	4.0
69.03444	1.0
71.01376	2.9
72.99303	0.2
81.03445	1.0
83.01392	0.2
83.05007	1.1
85.02928	1.0
87.00861	0.6
93.03446	24.9
94.03801	0.4
95.01347	0.2
96.96008	0.3
99.00885	0.2
99.04482	0.2
109.02926	0.8
111.00865	0.8
111.04507	4.6
113.02474	0.4
119.05013	11.4
120.05367	0.3
127.03969	0.6
129.01909	0.2
134.03726	0.2
135.04515	0.5
137.01416	0.2
137.02429	4.3
137.03488	0.2
138.02701	0.2
150.03152	0.1
155.03482	3.9
161.02435	0.1
163.03987	15.6
164.04297	0.6
169.82806	0.1
172.07797	0.1
173.04521	100.0
174.04869	2.7
175.82176	0.1
191.05585	8.8
192.05939	0.3
193.04999	0.4
305.07053	0.1
337.09244	35.6
338.09616	2.3
349.37848	0.1
407.13232	0.1
469.42865	0.1
537.15668	0.2
633.83472	0.1
732.57312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50008	2.8
71.01373	13.2
72.99341	0.6
73.02943	0.9
74.76290	0.4
83.01406	0.7
85.02942	10.5
87.00829	0.9
89.02438	5.0
89.03973	0.4
95.01372	4.4
96.95990	0.7
99.04510	0.9
101.02437	2.5
105.03457	0.5
113.02436	28.2
114.02758	0.7
117.03454	0.9
119.03482	1.4
123.04510	2.5
132.02153	3.5
133.02940	52.1
134.03183	2.2
135.04506	31.8
136.04823	1.3
143.03506	0.8
152.03542	0.5
153.05540	2.1
161.02423	100.0
161.04581	3.0
162.02754	4.7
165.12703	0.4
179.03476	3.2
180.06607	0.7
183.84889	0.4
207.13927	1.2
209.11803	1.5
251.12842	0.8
269.13873	2.0
297.09680	1.4
315.10880	4.6
443.15784	0.5
461.16580	14.8
462.16785	1.4
580.97314	0.5
623.19635	2.2
695.29065	0.7
695.65802	0.5
713.30157	52.8
714.30408	7.6
714.41754	0.7
815.31232	1.0
816.30334	0.5
875.33295	40.6
876.33563	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	877.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.2
67.01891	0.3
69.03435	0.2
69.58538	1.0
71.01370	0.9
73.02969	0.3
81.03448	0.3
83.05042	0.3
85.02938	8.2
87.00862	1.9
87.56433	0.1
88.01199	0.2
93.03449	3.3
95.05077	0.1
96.95993	0.6
99.04518	0.4
101.02418	0.2
109.02953	0.8
109.03581	0.2
111.00797	0.2
111.04496	1.1
113.02470	0.4
119.05021	0.4
120.58310	0.2
121.02958	0.2
127.03993	2.0
133.02937	1.8
134.03763	0.3
134.63023	0.2
135.04510	2.4
137.02420	0.3
143.03484	0.2
149.05998	0.2
153.09171	0.6
155.03510	0.3
161.02417	4.6
161.03719	0.3
162.02750	0.3
163.04066	0.1
171.02922	0.5
173.04509	1.8
177.02002	0.2
177.05351	0.1
179.03456	2.2
180.03854	0.2
187.04153	0.2
191.05582	100.0
192.05911	3.1
197.08165	0.5
219.06653	0.2
313.63300	0.2
353.08713	8.8
354.08981	0.6
697.20581	0.2
877.27362	6.7
878.27795	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	877.276
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.3
69.03455	0.3
71.01382	1.1
71.61735	0.1
73.02943	0.3
81.03452	0.3
83.05033	0.4
85.02937	7.9
86.03284	0.1
87.00860	1.6
93.03442	3.2
93.03992	0.2
96.96011	0.3
99.04500	0.3
101.02440	0.2
109.02950	0.8
111.00827	0.1
111.04497	1.1
113.02454	0.3
125.02451	0.1
127.03985	2.3
133.02939	1.8
134.03706	0.2
135.04515	2.0
137.02432	0.3
149.06053	0.1
153.09190	0.4
155.03479	0.4
161.02411	4.3
162.02736	0.1
171.02933	0.7
173.04521	1.6
179.03467	2.3
191.05580	100.0
192.04234	0.2
192.05937	2.8
197.08177	0.3
200.67088	0.1
219.06653	0.3
221.04468	0.2
251.05598	0.2
259.19803	0.1
353.08719	8.1
354.09048	0.6
509.86435	0.2
517.13733	0.1
697.20850	0.2
877.27545	6.5
878.27771	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	879.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48192	0.2
65.00314	0.5
71.01368	0.4
71.62564	0.3
74.96484	0.2
83.01371	0.3
83.03904	0.2
85.02909	0.2
88.22880	0.2
89.02405	0.2
95.58655	0.1
96.96008	0.2
101.02443	0.4
107.01376	1.4
109.02913	0.2
113.02447	0.2
117.64351	0.2
119.30753	0.2
121.02998	0.3
121.49226	0.2
132.02115	0.2
133.02917	5.4
135.04472	0.5
144.86749	0.2
147.04456	0.2
149.02411	1.2
151.00339	3.6
160.01727	0.2
161.02431	0.3
165.05531	0.2
173.04601	0.2
175.03958	2.3
179.03453	0.5
185.22162	0.2
191.05554	0.8
193.04999	0.2
199.03970	1.7
201.01958	0.5
202.48302	0.2
207.63451	0.2
213.05540	0.5
217.04962	1.1
223.04051	0.3
229.05005	0.3
239.03413	0.3
241.05020	0.7
243.02919	0.6
257.04532	0.4
268.03677	0.4
269.04468	0.5
284.03214	0.7
285.03989	100.0
286.04340	5.9
431.09540	0.3
447.09229	19.7
448.09634	2.1
637.20874	0.4
879.30450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.4
67.01888	4.0
69.03442	1.3
71.01363	3.7
81.03445	0.5
83.05008	0.7
85.02951	0.9
93.03447	24.2
94.03829	0.5
109.02927	0.9
110.25531	0.4
111.00857	1.0
111.04501	3.7
113.02481	0.6
115.86893	0.4
137.02422	5.7
139.11285	0.6
155.03484	3.9
161.02487	0.5
173.04520	100.0
174.04857	3.1
185.11806	16.2
186.12112	0.6
191.05431	0.4
229.30960	0.4
266.65546	0.5
359.17041	54.5
360.17361	3.9
434.69003	0.5
663.99011	0.5
879.29492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03962	0.4
67.01548	0.4
67.01884	7.5
69.03442	2.7
69.42286	2.1
71.01367	3.4
71.79836	0.3
72.99299	0.4
73.02950	0.3
81.03436	1.8
83.05022	1.4
85.02946	1.0
87.00867	10.6
88.71043	0.3
91.01923	0.3
93.03448	61.1
94.03778	1.9
97.02950	0.3
99.00866	1.3
99.04520	1.1
101.02427	0.4
108.56223	0.3
109.02915	0.8
111.00907	0.3
111.04503	9.3
113.02458	1.5
115.04018	0.7
119.05016	0.5
123.04528	0.6
129.01938	1.7
134.03738	1.4
135.04491	0.5
137.02457	2.0
139.11279	1.0
143.03473	0.8
143.04976	0.7
146.03712	0.3
147.02914	0.3
149.02292	0.3
150.03217	0.5
155.03467	2.7
155.65660	0.3
156.03883	0.3
159.04497	0.4
160.01678	0.3
161.02405	0.5
163.04059	0.5
165.05557	0.6
165.09198	0.3
173.04530	55.7
174.04832	2.5
183.10237	7.0
185.11786	0.5
191.05597	8.3
193.05064	0.7
251.07149	0.4
280.07446	0.4
295.09760	0.5
331.13943	0.3
339.08954	0.3
357.10074	6.3
357.15485	100.0
358.10904	0.6
358.15848	9.4
359.16248	1.1
728.95294	0.4
893.15057	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	879.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	0.4
71.01379	0.2
71.62362	0.1
71.62855	0.2
78.95892	1.1
79.95730	3.6
85.37067	0.1
93.03429	0.1
96.96002	100.0
97.95935	0.2
101.02425	0.1
103.40965	0.1
113.02447	0.1
133.02936	0.2
134.03731	0.2
135.04526	0.3
137.02380	0.1
149.02458	0.1
161.02448	0.4
165.05554	0.2
167.03493	0.1
173.04707	0.1
179.03473	0.1
269.01752	0.1
285.04022	0.2
322.67398	0.1
341.10629	0.1
353.10452	0.1
450.45306	0.1
488.15796	0.1
488.65363	0.1
768.23242	0.1
819.34119	0.1
879.36914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98804	0.2
67.01866	0.1
71.01364	0.2
71.62818	0.1
78.95898	1.3
79.95730	3.4
85.02949	0.1
93.03405	0.1
96.95998	100.0
97.95938	0.3
106.94280	0.1
113.02471	0.1
122.01861	0.1
133.02925	0.2
134.03719	0.1
135.04471	0.2
137.02461	0.1
149.02406	0.1
150.03224	0.1
155.10785	0.1
161.02449	0.4
165.05595	0.1
179.03494	0.1
193.05072	0.1
193.18991	0.1
195.06575	0.1
285.03860	0.3
327.12701	0.1
353.10352	0.1
488.15808	0.2
488.65860	0.1
693.23010	0.1
879.35889	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	883.308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79828	0.3
67.01885	1.8
67.61491	0.3
68.99808	1.8
69.03454	5.1
70.54888	0.3
71.01377	18.6
71.60996	0.4
71.61389	0.3
72.99307	1.0
73.02939	0.5
78.91861	0.8
83.01399	0.6
85.02943	16.9
86.03295	0.4
87.00880	0.8
87.04531	1.0
89.02434	14.0
93.03461	0.8
95.01379	7.2
95.05022	7.3
96.95992	0.6
97.02930	0.6
99.00880	0.6
99.04455	0.3
101.02435	9.9
102.98558	0.4
107.04998	0.5
111.00875	1.4
111.04446	0.3
113.02438	36.3
113.06083	1.0
114.02807	0.8
119.03485	4.0
120.99648	0.6
121.02946	2.9
121.06596	0.5
123.04515	3.1
127.03996	5.1
131.03502	0.7
133.02989	0.4
134.03773	0.9
135.04517	22.0
136.04823	0.7
137.02441	0.7
137.06142	0.4
139.00357	3.2
139.04001	2.3
143.03470	1.3
149.04543	0.5
153.05585	1.8
155.03496	1.4
161.04565	2.6
165.01924	1.0
165.05550	1.5
167.03474	1.2
173.04535	1.9
174.56589	0.3
179.05597	3.5
185.77248	0.4
191.05602	0.6
193.05190	0.4
197.04523	2.4
205.92218	0.3
209.04546	0.6
241.07158	10.8
242.07556	0.6
286.85394	0.3
297.09766	1.4
311.07727	0.9
315.10770	2.9
379.65878	0.3
389.10785	0.7
400.69257	0.3
421.13474	19.9
422.13712	1.7
461.16583	100.0
462.16956	9.8
848.31799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	7.6
68.99809	11.3
69.03451	24.2
69.33978	5.5
71.01376	39.6
72.01709	0.7
72.99300	2.0
73.02934	1.3
83.01369	1.5
85.02939	7.2
87.00848	2.4
89.02437	50.3
93.03448	2.5
95.01380	4.0
95.05018	33.9
96.96000	9.1
99.04516	1.8
101.02435	39.3
102.02696	0.6
107.03472	0.8
111.00873	14.8
113.02432	18.3
119.03490	19.6
119.04971	4.1
121.02946	100.0
121.06510	2.7
122.03273	2.8
123.04511	20.5
124.04869	0.7
125.02409	1.1
127.04016	9.4
131.03494	3.3
135.04498	1.4
137.02345	0.6
137.06070	1.7
139.00366	15.0
139.03947	1.4
139.79469	0.6
143.03477	6.8
147.04509	6.0
149.02443	4.8
149.04549	2.4
153.01881	0.6
153.05583	0.7
161.02380	1.7
161.04544	8.7
163.04021	1.0
165.05551	17.6
166.05890	0.8
173.04543	1.4
179.05609	55.8
179.07108	7.8
181.05013	4.4
191.03435	3.6
192.99573	0.7
209.04625	3.0
213.07648	0.8
223.06084	39.9
224.06422	2.4
241.07132	0.7
333.07996	2.9
371.09772	43.3
372.10071	2.9
373.15210	1.4
403.12405	62.9
404.12836	4.5
655.16620	1.3
801.46521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94862	0.5
69.95257	0.7
71.01361	0.5
73.93371	0.3
77.35985	0.3
81.03450	1.5
82.60924	0.3
83.04992	0.3
85.02959	0.6
93.03449	0.5
95.05027	2.1
96.96024	0.4
97.02945	0.3
97.06610	0.3
98.19930	0.3
103.16545	0.3
109.06573	0.9
110.09750	0.9
113.02448	0.4
117.03444	1.0
119.05058	0.6
123.04559	0.6
128.10803	9.6
129.11168	0.4
130.08722	100.0
131.09067	2.5
135.04485	0.5
135.08134	1.8
145.02957	2.2
153.37303	0.2
154.08714	2.4
156.06563	0.5
158.27763	0.3
161.02423	0.4
163.03978	0.8
163.13547	0.3
172.09764	4.4
173.04509	0.6
177.09183	1.4
179.03563	0.3
179.07124	0.6
181.08693	0.9
192.13910	0.4
205.12257	0.4
214.99219	0.3
246.18661	1.4
249.11238	0.6
254.13933	0.6
290.17560	2.1
308.18613	9.2
309.19080	0.4
327.68079	0.3
334.16577	3.7
352.17581	93.8
353.17902	7.4
429.17630	1.5
487.16202	2.0
637.80762	0.3
734.78210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	5.2
69.03448	1.1
71.01369	3.3
72.99300	0.2
73.02929	0.2
81.03452	1.2
83.01388	0.2
83.05013	1.1
85.02930	2.0
85.40701	0.2
87.00867	2.0
89.03951	0.5
91.72748	0.2
93.03445	32.4
94.03796	0.8
95.01403	0.2
96.96017	0.2
97.02927	0.2
97.62034	0.2
99.00884	0.4
99.04509	0.3
102.11004	0.2
108.02139	0.2
109.02940	0.9
111.00840	1.1
111.04507	5.6
113.02417	0.3
117.03454	1.9
123.90217	0.2
127.04014	0.9
129.01947	0.2
134.03723	18.8
135.04047	0.4
137.02434	4.4
149.06081	1.6
153.09216	0.4
155.03482	4.2
163.91257	0.2
173.04520	100.0
174.04878	2.7
175.04077	0.3
178.02707	0.3
191.05583	33.1
192.05939	1.0
193.05028	14.9
194.05336	0.4
197.08147	0.6
347.19119	0.2
367.10269	53.3
368.10587	4.0
377.14548	0.2
397.11203	0.2
580.51184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.7
71.01374	1.7
71.16268	0.8
73.02925	0.8
82.13868	0.4
85.02927	0.7
88.98296	0.4
88.98802	1.7
89.03965	1.3
93.03439	2.5
96.95997	2.6
101.02428	1.1
106.04250	0.7
108.02188	0.5
116.92878	0.4
117.03464	3.1
119.05017	0.7
121.02940	7.6
122.03719	6.1
125.02470	0.5
132.02139	3.0
133.02934	1.7
133.07243	0.4
134.03723	85.5
135.04208	2.0
136.01630	1.2
137.02435	4.9
139.03992	1.6
147.04529	0.6
148.01698	0.5
149.02420	15.0
149.06062	14.3
150.03204	46.1
151.03616	1.5
153.05544	0.8
160.01637	10.3
161.02438	0.5
163.03960	0.6
164.04797	2.4
165.05545	36.0
166.05852	1.4
175.03978	10.1
176.04315	0.7
178.02695	18.1
179.03256	0.6
180.04257	2.7
181.80540	0.5
192.04279	1.0
193.05023	100.0
194.05362	4.5
195.06595	16.2
196.07011	0.6
205.06500	0.7
207.06546	0.5
221.06042	0.7
233.06219	0.6
235.07477	0.6
238.06281	0.6
239.07138	1.7
249.05569	0.5
250.06366	2.6
253.08670	0.9
254.09384	1.1
267.06573	1.5
282.08948	6.3
297.07590	0.4
297.11194	0.5
300.23047	0.5
341.10223	21.7
342.10495	1.8
353.10321	1.4
371.11292	10.6
372.11560	0.7
389.12354	25.2
390.12589	2.5
689.31714	33.4
690.32208	5.6
885.39056	3.8
886.39032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	3.2
70.68913	0.9
71.01037	1.0
71.01369	7.0
79.80928	1.1
79.94226	0.9
85.02924	2.0
87.00871	1.4
88.98795	1.8
93.03443	8.7
96.96010	4.8
99.00787	1.1
101.02413	4.1
108.02174	5.9
111.00867	1.5
113.02399	2.1
117.03416	1.1
119.04948	1.3
120.24070	1.1
121.02942	74.5
122.03755	3.2
123.04503	3.2
123.78310	1.0
125.02412	1.1
128.60258	0.9
133.02907	1.8
134.03685	3.5
135.04497	6.5
136.01595	4.2
137.02426	2.3
143.04922	1.3
145.02902	4.0
146.03702	4.3
147.04443	6.5
148.05261	3.5
149.02370	2.5
149.06044	1.8
150.03241	2.1
151.03989	7.0
158.03763	1.2
159.04439	4.0
160.05243	2.2
161.02414	3.1
161.06001	3.0
162.03175	3.2
163.03954	3.5
163.07652	1.2
164.04735	2.0
173.02429	6.3
174.03189	21.4
175.03909	3.6
177.05589	2.4
179.03442	1.5
184.56577	1.1
185.02438	1.3
187.03975	2.8
188.04716	3.4
189.05505	3.3
191.03418	2.9
191.07062	1.5
193.04987	3.1
195.08261	1.6
202.02647	5.2
206.02097	3.1
207.08113	2.2
209.05928	1.7
211.07625	1.4
214.02635	2.9
215.03412	4.7
216.04134	1.3
217.04919	4.7
221.05981	3.6
222.06863	1.9
223.05818	1.4
223.07642	3.4
229.04971	3.9
233.05992	4.1
234.06717	2.9
235.03860	1.1
235.07684	2.8
236.08366	2.0
237.05496	6.2
239.07050	3.5
247.03888	1.2
248.04753	2.7
249.05501	10.6
250.06306	5.4
251.07112	15.5
252.07721	1.6
260.04715	3.0
261.05484	4.8
262.06290	7.0
263.07092	11.0
264.07797	5.6
265.04941	9.1
265.08414	2.8
266.05844	2.3
266.09113	1.5
267.06567	17.9
268.07053	4.2
275.07312	1.1
276.04260	2.0
277.04980	14.3
277.08533	3.3
278.05688	3.6
279.06610	28.3
279.10132	3.9
280.07278	5.3
281.08078	3.5
282.08911	13.0
283.09451	2.1
289.05148	6.1
290.05728	2.2
291.06522	2.8
292.07355	5.3
293.04480	11.1
293.08105	6.5
294.05194	7.4
294.08896	19.9
295.05984	7.4
295.09464	3.4
296.10468	1.5
297.07852	1.8
297.11237	5.3
303.06641	1.9
304.07236	4.8
305.04575	14.3
305.07947	2.5
306.04559	1.6
307.06335	5.3
307.09439	2.0
308.06827	17.2
309.07556	12.0
309.11264	3.1
310.08224	3.3
319.06085	1.2
320.06873	14.1
321.07620	5.1
321.10797	1.3
322.08411	7.5
323.05475	17.4
323.09171	22.2
324.06012	2.3
324.09698	3.2
325.07031	1.4
326.07840	4.4
335.09146	10.0
337.07025	3.9
338.07870	23.1
339.08231	3.3
339.12241	3.3
341.10239	22.0
342.10641	2.6
352.09396	1.4
353.10251	100.0
354.10608	7.5
356.12607	85.7
357.13242	10.7
363.08557	1.2
365.06259	1.8
365.10254	1.8
367.08163	1.7
371.14926	45.1
372.15201	4.7
380.08896	2.0
382.10446	4.5
383.11279	9.0
393.09088	1.4
393.13586	2.5
394.10400	2.0
395.11270	51.9
396.11487	3.8
407.11310	3.3
409.12790	2.6
413.12289	1.6
419.12808	1.2
425.12402	15.6
426.12576	1.7
437.12366	49.0
438.12619	5.1
465.11679	2.3
466.12180	1.2
467.09714	2.0
470.12347	1.2
482.11835	3.8
485.14453	58.0
486.14725	5.5
497.14484	67.2
498.14960	7.1
515.15436	2.8
655.90295	1.3
857.30121	20.3
858.31067	5.4
869.30176	45.6
870.30469	9.7
887.31116	36.8
888.31250	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	887.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.4
65.03956	0.6
67.01881	6.0
68.64088	0.2
69.03445	2.0
71.01375	4.0
71.05000	0.3
72.99286	0.4
73.02937	0.9
79.05523	0.6
79.63466	0.3
81.03447	1.2
83.01365	0.9
83.05015	2.2
85.02947	1.4
87.00853	0.6
87.04506	0.7
88.98780	0.5
93.03447	41.0
94.03799	0.8
95.01385	0.4
96.95986	1.2
97.02942	2.7
99.00880	0.3
101.02422	0.4
103.03950	0.3
108.02176	0.4
109.02936	1.7
111.00863	1.4
111.04509	6.6
111.82826	0.3
113.02454	1.8
120.05810	0.3
121.02950	7.8
122.03777	0.5
123.04498	1.1
125.02425	1.1
127.03992	0.6
129.01898	0.4
133.10196	0.5
134.03716	0.9
135.04503	1.1
135.08159	1.6
136.01656	0.4
137.02423	5.7
137.06030	0.5
147.04520	0.7
151.04025	0.5
153.09186	4.6
155.03482	5.7
159.04645	0.3
159.08127	0.8
160.01691	0.3
160.05319	0.3
161.02460	0.6
161.06076	1.7
163.03955	0.4
165.05559	0.5
173.04523	100.0
174.04851	2.3
175.07634	0.6
177.09148	1.3
179.07152	1.0
189.09180	0.6
191.05588	1.2
191.10925	0.4
193.05008	0.7
193.08723	1.1
197.08159	1.5
201.09221	0.6
203.07097	1.5
207.62370	0.4
219.10257	0.5
221.08162	1.8
256.64050	0.3
263.09155	1.6
281.10248	0.3
291.27875	0.3
341.12372	3.7
356.12564	9.8
357.12958	0.8
371.10245	0.7
371.14926	10.5
372.15323	0.8
513.45917	0.3
515.17242	0.3
654.87769	0.3
713.28052	18.1
714.28583	3.3
887.33124	7.6
888.33826	1.6
905.94946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	0.7
71.01371	1.1
71.61720	0.7
72.30552	0.4
72.53677	0.4
73.02953	0.4
89.03947	1.0
93.03456	1.8
96.37127	0.4
96.95997	1.1
101.02407	0.6
109.02950	0.4
110.33746	0.4
113.02423	0.5
117.03447	2.5
119.05012	1.0
121.02940	7.9
122.03748	5.1
123.04453	0.5
132.02167	3.3
133.02907	2.2
134.03725	79.9
135.04074	1.7
136.01648	0.8
137.02435	4.8
139.03986	1.6
147.04509	0.7
149.02414	15.5
149.03589	0.8
149.06061	13.4
149.07216	0.9
150.03204	42.7
151.03587	1.6
153.05518	0.6
158.45692	0.4
160.00400	0.8
160.01645	10.7
160.02985	0.5
161.02278	0.5
164.04829	2.3
164.24965	0.4
165.05544	36.5
166.05865	1.6
175.03973	11.0
178.02689	16.3
179.03304	0.7
180.04234	2.7
189.35283	0.4
190.88182	0.4
193.05023	100.0
194.05383	3.5
195.06589	15.1
221.05989	1.3
222.06743	0.5
233.06096	0.5
236.27707	0.4
239.07071	1.8
244.61630	0.4
250.06242	2.0
251.06992	0.5
265.08627	0.5
267.06519	1.6
282.08978	5.9
297.11407	0.5
341.10226	22.0
342.10513	1.2
357.40329	0.4
371.06802	0.7
371.11282	10.4
372.11386	1.0
389.12326	20.7
390.12585	1.9
606.77026	0.5
691.33215	29.7
692.33331	5.2
737.24194	0.5
887.40961	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	887.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	4.6
69.87405	2.7
71.01369	1.8
85.02939	0.8
87.72302	0.5
88.98824	1.0
89.03953	0.8
93.03430	2.6
93.56846	0.5
96.96000	2.8
101.02432	1.1
106.04257	0.6
107.37605	0.5
108.02123	0.6
111.00863	0.8
113.02430	0.6
117.03465	3.8
119.05013	1.1
121.02933	6.6
122.03733	5.8
129.93370	0.5
132.02130	2.5
133.02916	2.3
134.03722	81.9
135.04132	2.7
136.01627	0.7
137.02434	4.3
139.03955	1.5
147.04482	0.6
149.02431	13.2
149.06062	13.2
150.03204	40.2
151.03529	1.0
153.18192	0.5
160.01648	11.3
161.02441	0.7
162.06778	1.7
163.04018	0.6
164.04791	2.3
165.05542	36.2
166.05876	1.2
175.03979	10.7
176.04204	0.7
178.02684	17.4
179.03297	0.9
180.04306	2.6
193.05022	100.0
194.05345	4.5
195.06606	16.2
221.05981	0.6
239.07132	1.5
250.06291	1.2
253.08623	0.6
265.08716	0.6
267.06445	1.2
282.08917	4.2
338.53308	0.6
339.01425	0.5
341.10236	18.5
342.10492	1.7
351.27725	0.5
353.10437	0.9
371.11319	10.8
372.11490	1.0
389.12354	18.7
389.98306	0.6
390.12531	1.6
688.62744	0.5
691.33215	42.7
692.33691	6.7
742.98987	0.6
815.98395	0.6
887.39056	3.1
888.40088	0.6
899.79376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.6398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70101	0.2
61.98812	0.4
66.11263	0.2
71.62403	0.4
81.65551	0.2
96.95983	0.3
138.35077	0.3
163.06128	0.7
177.70558	0.2
255.23260	11.4
256.23645	0.7
279.54303	0.2
316.72311	0.3
419.29892	0.5
469.33145	100.0
470.33502	9.9
470.40182	0.5
496.34598	0.2
863.02185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96400	0.4
69.83437	0.2
71.01360	0.4
73.02902	0.2
78.95893	100.0
85.02945	0.4
89.02430	0.2
95.37853	0.1
96.96946	7.8
113.02386	0.6
135.04495	0.6
161.02446	0.5
162.02771	0.2
177.01900	0.2
191.05626	0.5
223.02489	0.1
233.49944	0.1
249.08891	0.9
262.63651	0.1
267.09979	63.7
268.10330	2.5
289.35788	0.1
461.16608	1.8
505.14093	0.2
623.21808	1.3
683.35461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57707	0.2
69.03447	0.2
80.05048	0.2
81.03446	1.3
83.05022	0.2
85.02958	0.5
89.79315	0.2
93.30450	0.2
95.05018	2.5
97.06574	0.4
98.19875	0.3
109.06580	0.8
110.09728	1.1
119.41008	0.2
123.04515	0.8
128.10800	9.5
129.11137	0.4
130.08719	100.0
131.09061	2.0
132.29738	0.2
133.06541	0.2
135.04518	0.2
135.08136	2.0
149.02429	0.2
151.11232	0.4
152.07202	0.3
154.08717	2.8
156.06610	0.5
159.08127	0.2
171.86838	0.2
172.09772	4.0
177.09166	1.6
179.07135	1.0
181.08687	0.8
192.13940	0.2
221.08260	0.3
236.12971	0.2
238.10759	0.3
246.18597	1.6
254.13953	0.6
290.17590	2.5
307.08139	0.2
308.18607	9.8
309.19095	0.4
334.16510	3.8
335.16806	0.3
352.17578	90.7
353.17911	6.5
353.22324	0.3
377.12326	0.3
400.53320	0.2
539.17645	0.7
606.40057	0.2
723.19324	0.2
927.24567	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01870	1.2
67.55717	1.0
68.99811	8.6
69.03450	14.3
71.00981	2.3
71.01374	34.9
71.61328	1.1
72.99282	2.1
73.02949	3.0
74.57333	1.1
75.00871	2.9
80.39294	1.2
83.01337	1.2
85.02943	5.9
85.47421	1.1
87.00858	5.2
89.02435	51.4
93.03476	1.9
95.01394	2.7
95.04995	3.5
95.57236	1.3
99.00889	1.7
101.02429	38.5
111.47348	1.2
113.02445	13.6
117.03460	5.3
119.03526	17.8
119.05003	38.3
120.05382	1.5
120.90587	1.3
121.02946	12.7
123.04465	1.7
127.04023	2.6
131.03485	2.9
135.04509	2.0
139.00357	3.7
143.03502	4.5
145.02956	23.6
147.04492	1.8
149.02390	1.2
149.04521	1.9
161.02425	2.9
161.04613	9.0
161.05913	2.1
163.03981	34.9
163.06107	3.2
179.05588	30.2
179.07076	2.5
181.07153	50.5
182.07471	1.9
197.08095	1.7
223.06078	29.9
224.06390	1.7
281.09781	1.4
320.78189	1.1
325.09238	13.5
326.09546	1.4
335.09793	1.9
359.13544	2.1
371.10034	1.5
389.10831	6.2
390.11322	3.8
403.12408	100.0
404.12747	7.8
405.13916	16.5
567.19196	13.9
568.19489	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	897.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	1.8
69.29356	3.2
69.29780	7.1
71.01374	32.1
72.99301	4.3
73.02945	5.5
81.03505	1.0
83.01375	3.6
85.02940	8.6
86.00106	1.4
87.00874	13.4
89.02429	30.9
95.01376	1.9
96.96001	4.6
97.02927	3.7
101.02429	26.7
113.02435	18.1
119.03451	5.2
124.69334	1.2
125.02445	7.5
131.03476	4.1
133.02942	4.7
135.04497	2.2
140.64363	1.0
143.03500	5.1
161.02452	5.8
161.04532	7.1
179.03384	1.9
179.05589	9.7
203.05508	2.2
207.85474	1.2
221.06660	5.3
233.17480	1.0
235.08054	2.6
238.15269	1.1
253.09190	2.3
277.21686	15.7
323.09833	1.6
326.66904	1.2
341.10727	1.4
379.12387	2.7
383.11734	3.0
397.13351	8.6
415.14255	3.5
449.12891	2.0
485.15234	1.6
487.33841	1.6
559.18658	100.0
560.19104	10.2
577.19751	34.2
578.19977	1.9
623.19403	1.4
837.40869	11.0
838.41595	2.5
897.39154	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	903.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	0.2
67.01881	4.0
69.03445	0.7
69.29978	0.9
71.01372	3.2
73.02902	0.1
81.03449	0.8
83.01385	0.1
83.05017	0.9
85.02932	1.0
87.00867	0.9
93.03444	27.9
94.03771	0.6
98.20618	0.2
99.00878	0.2
99.04510	0.2
101.02425	0.1
109.02923	1.0
111.00877	1.0
111.04506	4.7
111.08128	0.1
113.02418	0.5
115.03925	0.1
119.05008	12.3
120.05353	0.4
125.04073	0.1
127.03992	0.7
129.01933	0.2
135.04524	0.2
137.02422	4.3
138.02669	0.1
145.02919	0.2
155.03473	3.9
156.03766	0.1
163.03984	17.3
164.04344	0.4
173.04517	100.0
174.04865	2.5
191.05583	13.6
192.05908	0.3
199.08203	0.1
302.39197	0.1
337.09229	40.4
338.09579	2.4
365.18106	0.6
425.90906	0.1
858.59192	0.1
884.92456	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	903.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45543	0.2
71.01378	1.4
71.61789	0.2
72.99283	0.3
73.02945	0.8
80.35201	0.2
85.02933	0.6
87.00848	0.4
88.98800	0.5
89.02441	0.5
89.03946	1.3
93.03448	1.7
95.01394	0.5
96.96021	1.3
101.02426	0.9
105.03401	0.3
106.04226	0.3
109.02935	0.4
113.02416	0.5
116.92875	0.3
117.03455	3.5
119.05024	1.0
121.02943	5.2
122.03741	4.7
125.02353	0.3
132.02176	2.6
133.02933	1.6
134.03726	75.0
135.04126	2.0
136.01607	1.1
137.02428	4.5
139.03986	1.7
145.02939	0.4
147.04504	0.6
148.05232	0.2
149.02423	11.2
149.04872	0.5
149.06065	11.4
150.03207	37.0
151.03539	1.2
153.05551	0.6
160.01640	10.3
161.02190	0.4
163.04012	0.9
164.04733	1.8
165.05547	30.7
166.05902	0.6
175.03989	10.6
178.02693	16.6
179.03232	0.8
180.04239	2.3
181.04903	0.3
192.04204	0.6
193.05029	100.0
194.05403	4.0
195.06593	13.0
196.06903	0.7
205.06436	0.3
221.06053	0.4
234.06834	0.6
239.07059	1.1
250.06233	0.9
251.06915	0.4
252.07686	0.4
253.08813	0.3
257.64563	0.3
267.06552	1.3
271.64279	0.3
280.15958	0.3
282.08942	3.8
283.09232	0.3
297.11185	0.4
326.07721	0.3
327.12247	0.3
341.10257	15.5
342.10629	0.9
353.10291	0.4
355.07028	0.2
371.11273	11.5
372.11496	0.8
389.12363	16.6
390.12772	1.1
414.06216	0.3
597.89423	0.2
707.32739	32.5
708.33093	5.0
903.40259	1.4
904.40747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.4
67.01882	4.5
69.03452	1.1
71.01373	3.6
77.33060	0.2
81.03452	0.9
83.05019	1.0
84.22990	0.2
85.02947	1.8
87.00887	1.9
89.03986	0.4
89.74317	0.2
93.03448	31.0
94.03785	0.5
95.01374	0.3
96.96062	0.2
98.19834	0.4
99.00887	0.2
99.04546	0.3
101.02408	0.2
109.02946	1.0
111.00891	1.0
111.04514	4.6
112.49431	0.2
113.02441	0.5
115.03943	0.3
117.03452	1.3
127.04006	0.7
129.01955	0.3
132.02155	0.2
133.02934	3.8
134.03728	20.3
135.04543	3.1
137.02437	4.1
143.03506	0.2
145.16130	0.3
149.02394	0.2
149.06056	2.1
150.03197	2.1
153.01884	0.2
155.03468	3.8
160.01643	0.2
161.02429	12.8
162.02808	0.3
165.05542	3.0
173.04526	100.0
174.04895	2.7
175.03993	0.2
177.05550	0.4
179.03477	2.8
191.05588	22.7
192.05980	0.6
193.05029	15.2
194.05424	0.6
221.04510	0.6
263.05661	0.3
323.07721	2.7
367.10278	35.8
368.10635	2.9
375.10718	0.3
528.37994	0.2
537.16064	18.8
538.16528	2.0
803.51965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	1.5
67.01881	3.1
68.99808	59.6
69.03448	25.0
69.25640	4.8
69.26073	3.9
70.00117	1.1
71.01375	57.6
71.02895	0.9
72.01722	0.9
72.99281	4.8
73.02944	8.1
75.00850	1.4
83.01395	5.3
84.02162	1.4
85.02939	19.7
87.00870	4.1
89.02434	48.3
90.62202	0.9
92.99821	1.0
93.03443	17.3
95.01367	7.5
95.05028	6.7
96.95990	2.7
97.02933	2.1
99.00873	14.2
101.02431	89.2
102.02777	1.4
107.04990	1.2
108.02150	2.7
109.02957	1.8
111.00852	4.6
113.02436	30.9
114.02724	1.0
119.03486	18.6
119.04987	3.5
121.02943	48.2
121.06474	0.9
122.03825	1.7
123.04523	8.8
124.01678	1.1
125.02432	7.7
127.03990	6.9
131.03479	3.1
132.97008	1.0
133.02957	4.5
133.06540	1.0
134.03680	3.6
135.04494	6.1
136.01643	88.0
137.02293	3.8
137.06021	1.6
139.00307	5.7
139.03987	2.8
143.03482	8.5
145.02948	1.7
147.04480	3.9
149.02428	9.6
149.04454	1.7
149.06018	2.6
151.03986	100.0
152.04338	3.6
153.01932	13.2
153.05527	8.5
159.02861	1.0
160.05247	1.7
161.02448	10.0
161.04506	17.2
161.05898	1.9
162.03177	1.0
163.03998	8.1
165.01939	1.3
165.05533	2.3
167.03465	3.3
171.02895	1.0
173.04536	1.8
175.03928	1.5
175.07623	2.1
176.04779	0.8
177.05537	2.3
179.03477	4.4
179.05565	22.6
179.07106	6.4
181.05040	6.4
185.41541	1.0
189.05568	1.5
191.03459	3.5
193.04993	2.4
195.02939	2.0
195.06560	2.0
197.08138	2.3
205.04959	3.1
223.06076	63.2
224.06378	1.9
227.03233	1.0
233.04477	1.7
241.07004	1.2
247.06052	1.6
265.07071	4.9
277.07501	1.0
283.08093	12.7
296.10385	0.9
301.09149	1.1
311.12961	1.6
315.03745	1.7
315.07187	24.6
316.07541	1.7
341.32724	1.0
342.11032	5.6
343.10742	1.4
353.08624	2.6
357.13376	85.4
358.13730	9.6
359.13535	1.3
367.10165	2.1
371.09885	2.1
385.11328	52.3
386.11676	3.5
403.12366	18.5
404.12628	1.7
445.13480	2.3
461.14618	3.2
477.13031	1.0
519.18481	2.8
547.16528	10.0
548.17035	1.0
641.22321	25.0
642.22638	3.4
643.00909	0.9
673.21265	46.2
674.21503	7.3
683.23291	3.1
743.25751	7.2
905.30902	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	905.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99816	1.0
70.52494	2.6
71.01368	5.2
72.99283	1.1
73.02937	1.2
79.44378	0.7
83.01373	0.9
84.95102	1.7
85.02927	2.7
86.00459	0.8
88.98824	1.1
93.03442	6.7
95.01392	0.8
96.95984	3.6
99.85698	0.8
101.02430	2.6
102.38612	0.8
105.03441	0.9
108.02170	0.8
111.00826	0.9
111.62714	0.8
113.02453	2.0
117.03400	1.9
118.19333	0.8
119.05009	3.0
121.02940	33.4
122.03764	8.1
123.04473	2.7
132.02153	18.7
133.02917	8.6
134.03723	96.3
135.04541	18.1
136.01659	3.2
137.02431	4.5
139.03979	1.3
145.02931	1.3
147.04507	5.9
147.05554	1.1
148.05174	0.9
149.02420	26.7
149.06059	17.8
150.03206	56.0
151.04007	6.9
153.05496	1.0
159.04564	1.0
160.01637	80.2
161.02219	4.2
162.03206	1.8
163.03983	3.5
164.04756	5.9
165.05537	41.6
166.05853	2.0
174.03116	0.9
175.03969	80.7
176.04663	8.0
177.01871	1.7
177.05484	1.7
178.02672	13.3
178.17480	0.8
179.03391	3.3
180.04234	3.1
181.05013	2.7
189.05513	1.6
191.07108	7.4
192.04277	1.7
193.05020	59.7
194.05368	2.8
195.06595	15.2
196.06894	0.9
202.02582	1.2
205.05116	0.8
207.06656	1.8
209.47417	0.7
217.04939	1.4
220.03809	0.9
221.06097	1.1
223.40030	0.8
235.06058	27.3
239.07144	2.4
241.09554	0.8
250.06398	1.8
251.07004	1.4
252.07835	1.0
253.08470	1.2
267.06613	6.2
282.06067	1.4
282.08957	16.7
295.08328	1.2
297.11145	3.8
298.08356	1.5
337.09235	66.5
338.09601	3.3
341.10239	100.0
342.10498	5.8
355.11835	2.3
356.12534	23.5
357.13089	2.9
371.11069	4.9
371.14929	12.0
372.15421	1.2
383.11377	6.7
389.12357	27.1
390.12698	1.4
397.12836	2.5
406.30399	0.8
413.12399	2.0
425.12421	5.5
431.13336	6.1
445.15067	1.1
455.13562	1.4
473.14667	3.4
485.14395	12.3
486.14694	1.3
515.15814	1.0
533.16443	5.3
641.83832	0.8
671.71722	1.0
707.32324	1.3
709.24780	44.0
710.25281	6.6
890.09052	1.0
906.39258	1.1
916.24323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89698	0.5
69.38512	1.1
69.38916	3.5
71.01388	2.2
78.77254	0.5
79.20930	0.6
82.56167	0.5
85.02946	1.3
91.76411	0.5
93.03446	6.3
97.66416	0.5
101.02428	1.4
105.03455	1.1
109.02905	0.9
110.16941	0.5
113.02383	0.8
116.96371	0.5
117.03439	1.3
119.05019	0.6
121.02940	26.6
121.03826	1.4
122.03729	16.9
123.04561	0.6
124.01665	0.6
125.02354	0.6
128.80472	0.5
132.02158	21.0
133.02979	4.5
134.03722	31.4
135.04593	3.2
136.01598	3.1
137.02457	1.7
139.03963	0.9
147.04491	1.1
149.02422	22.8
149.06055	6.9
150.03206	100.0
151.03851	3.2
153.83122	0.6
160.01639	86.6
161.02026	3.8
161.04568	0.5
161.05873	0.6
162.03185	0.6
163.03970	0.6
164.04753	2.7
165.05545	84.1
166.05858	2.7
175.03973	97.5
176.04414	4.6
178.02724	3.8
179.03465	1.0
180.04248	6.1
191.07103	2.7
193.05029	29.3
194.05464	1.0
195.06595	47.1
196.06870	1.1
202.02747	0.9
208.42250	0.6
217.05011	1.9
235.06068	14.3
274.89429	0.6
282.08847	1.9
285.04004	1.4
322.06931	0.7
337.09244	75.6
338.09561	4.8
341.10223	9.3
342.10486	0.8
353.09833	0.6
356.12579	25.4
357.13165	4.2
371.11255	1.6
371.15063	13.6
372.15253	1.0
389.12250	2.0
390.71127	0.6
413.11984	1.2
425.12253	0.7
431.13580	3.7
455.13632	0.8
473.14545	0.9
485.14584	3.2
533.16553	6.9
534.17114	0.7
709.24872	93.7
710.25226	14.3
797.15930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	1.6
68.99815	1.1
69.03448	1.2
71.01370	3.1
71.62630	0.5
72.99310	0.4
76.15261	0.3
81.03436	0.5
83.05019	0.8
85.02941	13.0
87.00857	4.4
89.02415	1.4
93.03445	16.2
93.60345	0.3
95.01376	0.7
95.05018	4.9
97.69539	0.3
99.00870	0.3
99.04528	0.7
101.02435	2.5
108.02151	0.6
109.02942	1.0
111.00877	2.0
111.04514	2.5
113.02440	1.5
119.03488	0.5
119.04968	0.3
121.02916	1.4
123.04485	0.9
127.03983	3.9
129.01938	0.4
133.02921	0.4
134.03734	3.3
135.04506	1.2
137.02451	0.7
139.00348	1.3
139.03986	2.3
143.03482	0.3
147.04486	0.8
149.02428	2.3
149.06050	1.0
150.03195	0.7
153.01991	0.4
155.03487	1.0
159.85007	0.3
160.01653	1.0
161.02385	0.8
162.13377	0.3
163.04195	0.3
165.05579	0.5
171.03030	0.8
173.04517	3.7
175.03973	0.9
178.02702	1.2
179.03362	0.5
191.05585	100.0
192.05913	2.8
193.05009	2.7
217.04959	0.4
218.05809	1.2
223.06105	0.7
233.08191	1.6
240.66992	0.3
275.05573	1.0
275.09210	1.2
297.11340	0.5
307.08188	1.1
322.71790	0.3
329.13959	1.7
367.10184	1.9
377.12152	0.8
398.33008	0.3
429.65530	0.3
509.17963	0.5
539.17542	1.2
586.03857	0.3
598.82477	0.3
727.22064	0.5
733.23169	0.9
871.70404	0.4
907.28601	29.4
908.28790	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	909.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	16.9
72.99296	1.0
73.02936	5.0
83.01385	0.5
85.02932	6.7
87.00856	0.7
89.02433	18.9
95.01375	2.1
97.02943	0.7
99.00865	13.5
99.04488	0.3
101.02429	7.0
107.05026	0.3
111.40495	0.2
113.02434	14.5
114.02754	0.4
119.03469	2.1
123.04514	2.1
125.02420	0.5
131.03482	3.0
134.03732	0.7
135.04504	24.5
136.04836	0.6
143.03510	0.6
149.04539	4.6
153.05585	1.7
161.04541	1.3
170.66855	0.3
191.05579	5.0
195.06511	0.3
198.45917	0.3
297.09784	0.4
315.10822	5.0
316.11310	0.4
346.86646	0.2
374.90079	0.2
445.13617	0.3
447.14990	100.0
448.15363	7.8
449.15756	0.3
461.16565	31.3
462.16953	3.2
557.93890	0.3
582.31610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.624
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79333	0.1
70.76128	0.3
71.01364	2.2
73.02937	0.5
75.00869	1.0
82.91216	0.1
85.02938	0.6
89.02453	0.5
95.01371	0.3
101.02430	2.4
102.05178	0.1
105.39720	0.1
113.01672	0.2
113.02432	2.6
124.10764	0.1
127.77837	0.1
139.20145	0.1
143.03516	0.4
161.04541	1.4
183.48616	0.1
214.80045	0.1
273.22156	0.2
275.60165	0.1
277.21671	24.5
278.22003	1.5
287.23694	0.3
291.23270	1.0
295.71780	0.1
301.21664	0.3
303.23145	0.2
319.22714	5.7
320.23111	0.4
331.22751	0.9
349.23746	2.7
405.85291	0.2
420.46017	0.2
439.32224	0.2
469.33420	0.9
470.33554	0.5
471.34702	100.0
472.35046	10.5
928.06018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.7115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39478	0.6
69.39886	0.4
71.89759	0.1
73.09499	0.1
77.01688	0.1
89.01894	0.1
104.17809	0.1
115.41799	0.2
116.39606	0.1
132.49489	0.1
140.50252	0.1
149.58493	0.1
151.22043	0.1
286.15164	0.1
403.45795	0.2
407.32962	0.4
455.35208	100.0
456.35559	10.4
765.01440	0.2
941.83447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.333
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.2
67.01882	4.5
68.99799	0.5
69.03447	0.9
70.16982	0.1
71.01372	4.2
71.04996	0.1
71.61565	0.1
72.99299	0.2
75.00871	0.1
81.03452	0.9
83.01368	0.2
83.05009	1.0
85.02937	0.9
85.41714	0.1
87.00874	0.7
89.02433	1.2
93.03446	31.6
94.03790	0.7
95.01376	0.4
99.00877	0.3
99.04504	0.4
101.02425	1.6
107.04994	0.2
108.02137	0.2
109.02943	1.1
109.06602	0.1
111.00864	1.9
111.04507	6.7
112.04840	0.1
113.02437	1.0
115.03986	0.1
119.03488	0.3
119.05002	0.4
121.02938	0.2
121.10212	1.3
123.04504	0.2
127.04000	0.6
129.01930	0.1
132.73058	0.1
134.03726	0.2
135.04579	0.4
135.31125	0.1
137.02426	6.3
137.06079	0.4
138.02716	0.2
139.00369	0.6
139.11264	0.3
141.33904	0.1
143.03497	0.1
149.02490	0.2
153.05511	0.1
153.09187	0.6
155.03482	4.6
159.02913	0.1
161.02437	0.3
161.04547	0.2
163.03984	0.3
164.04729	0.1
165.01906	0.2
165.09142	0.4
168.09215	0.1
173.04521	100.0
174.03427	0.2
174.04863	2.5
177.05612	0.1
179.03497	0.4
179.05597	0.4
181.05063	0.7
181.91650	0.1
183.10236	12.1
184.10565	0.4
191.05577	0.3
193.05026	0.2
194.05647	0.1
195.06606	0.2
197.08136	0.8
207.03000	0.2
213.07541	0.1
223.06264	0.2
239.05600	0.4
273.07639	2.6
273.12192	0.1
275.05627	0.3
291.08856	0.2
307.08224	1.1
343.08127	0.3
351.04407	0.1
355.10220	0.2
357.15491	45.0
358.11331	0.2
358.15823	2.9
361.09128	0.6
361.15033	0.3
375.10803	0.4
376.11154	0.1
393.11847	3.8
394.12296	0.3
419.11911	0.8
449.20700	0.1
555.17090	8.6
556.17474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87207	0.2
67.01883	4.7
69.03445	1.1
69.34830	0.9
69.35252	1.0
71.01373	3.1
74.43906	0.2
77.19394	0.2
81.03452	1.3
83.05000	1.1
85.02935	1.0
87.00857	2.9
93.03445	34.8
94.03783	0.8
95.01357	0.3
96.95998	0.5
99.00835	0.5
99.04504	18.8
109.02933	0.9
111.00869	0.9
111.04506	5.6
113.02424	0.5
115.03996	0.3
127.03986	0.6
129.01895	0.4
133.02911	0.4
134.03723	0.3
135.04489	0.5
137.02428	4.0
143.03494	0.2
149.02397	0.5
155.03473	4.0
159.67850	0.2
161.02429	0.8
164.04808	0.4
173.04520	100.0
174.04871	2.8
179.03445	0.3
183.10133	0.3
187.38069	0.3
191.05580	9.2
193.05069	0.4
201.11302	2.4
213.66762	0.2
223.06090	0.9
253.33633	0.2
273.09833	0.5
375.16528	76.1
376.16852	6.1
377.16925	0.4
442.05212	0.2
444.46655	0.2
537.16168	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	913.6396
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83640	0.3
71.01357	0.2
101.02435	0.3
103.33628	0.1
110.71764	0.1
131.74138	0.1
152.34979	0.1
162.31880	0.1
163.06104	0.7
181.54111	0.1
235.86507	0.1
277.21667	22.4
278.22070	1.4
393.31552	0.3
423.32800	0.5
441.28592	0.7
471.34695	100.0
472.35046	11.7
510.50894	0.1
913.63220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.7277
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64751	2.2
71.71624	0.4
76.39153	0.4
78.95909	0.8
98.19924	0.7
99.58291	0.4
100.10777	0.4
105.48140	0.4
152.99568	0.9
250.87737	0.5
413.78922	0.5
439.35699	1.0
455.35242	100.0
456.35577	14.4
457.36768	58.6
458.37061	5.0
783.92590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	1.3
69.03441	0.5
71.01373	4.5
71.62177	0.5
72.99319	0.4
85.02953	1.1
87.00879	0.5
89.02438	3.5
93.03445	7.9
93.04008	0.8
95.29302	0.4
101.02434	1.6
111.04514	1.6
113.02453	1.4
117.03406	0.5
119.03517	1.0
125.09670	0.4
130.30965	0.4
133.02965	1.7
134.03726	1.4
135.04501	2.0
137.02435	1.5
149.02406	2.8
150.03206	1.3
153.09192	89.1
154.09525	2.9
155.03476	1.0
157.92650	0.4
161.02435	6.1
164.04745	2.2
165.05542	1.5
169.08640	0.6
173.04527	24.6
174.04889	0.5
179.03531	1.3
179.07056	0.7
191.05562	9.3
191.07333	0.5
193.04994	0.8
197.08159	100.0
198.08478	4.1
223.06067	2.8
236.01556	0.5
306.96075	0.4
323.07727	1.5
326.19360	0.4
356.59973	0.5
367.10233	2.1
377.14456	77.0
378.14771	4.8
397.11292	9.9
475.76077	0.4
491.47479	0.4
529.15576	1.1
537.16125	8.9
538.16290	0.6
545.32593	0.5
632.80719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45098	1.5
69.03436	3.4
71.01373	100.0
71.60980	1.6
72.99291	2.8
73.02936	48.1
81.03442	1.5
83.01384	19.0
85.02937	25.4
89.02435	11.5
95.01369	6.2
96.96001	1.9
99.00892	8.6
100.34042	1.6
101.02431	62.0
113.02429	33.6
119.03490	10.9
125.02464	7.8
131.03462	4.7
132.21436	1.7
133.02907	2.6
135.04503	2.6
137.09666	1.9
143.03455	7.4
145.02899	2.9
149.04536	11.2
159.02887	2.4
161.02393	5.3
161.04538	39.2
165.12811	2.4
173.04465	6.1
179.03432	1.8
179.05583	3.1
191.14409	5.3
203.05580	83.1
204.05946	2.6
208.45166	1.5
209.15508	7.7
221.06641	11.5
236.92865	1.6
284.85080	1.6
371.20740	4.6
413.21729	63.7
414.21970	5.2
487.15933	5.0
513.41376	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	917.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	11.9
71.62321	2.0
73.02921	3.5
85.02941	4.8
87.00859	2.6
89.02428	5.0
89.73371	1.6
93.03449	8.8
96.95992	30.9
99.00849	2.0
101.02422	6.3
109.02903	1.9
111.00883	2.5
113.02427	3.7
116.92905	1.9
117.03414	2.0
119.04972	2.8
121.02939	76.4
122.03729	2.0
123.00889	3.7
125.02338	2.2
133.02945	3.0
133.64162	1.8
134.03668	7.7
135.04517	8.0
136.01642	7.0
137.02419	5.2
145.02917	4.5
146.03699	3.8
147.04486	5.8
148.05312	2.4
149.02428	4.1
149.06085	2.3
151.04015	8.4
153.09200	9.3
159.04491	2.0
160.01631	3.4
160.05328	2.0
161.02441	6.5
161.06013	3.2
162.03186	2.0
163.03920	2.8
164.04749	3.7
173.02405	7.2
174.03177	25.0
175.03975	8.3
176.04677	2.3
177.05531	2.7
179.03426	2.9
187.04080	2.9
188.04727	3.3
189.05510	4.5
191.03448	3.7
192.04243	2.5
193.05023	8.7
197.08136	11.0
202.02646	5.2
202.94255	1.9
207.06387	2.3
209.06027	3.1
214.02795	3.3
215.03441	3.3
217.04924	4.2
221.06032	4.2
223.05908	3.7
229.05002	3.0
235.03905	2.6
236.04808	4.0
237.05478	4.2
238.06377	3.3
247.03917	4.5
248.04695	4.6
249.05501	10.4
250.06374	6.8
251.07031	5.0
252.04071	2.9
253.08594	2.5
253.71175	1.8
255.06587	2.4
261.05569	2.2
262.06006	1.8
263.03391	5.1
263.07047	3.3
264.04083	5.5
265.04990	5.8
266.05725	3.2
267.03101	2.6
267.06519	5.7
275.03391	4.5
276.04144	7.6
277.04980	9.2
278.05743	5.4
279.06607	9.4
280.03613	2.3
281.04398	4.0
281.08041	2.2
282.05313	9.3
285.04245	3.8
290.05765	4.2
291.06445	3.8
292.07236	6.9
293.04416	3.3
293.08047	5.4
294.05267	5.7
294.08810	2.6
295.06216	8.1
295.09027	2.0
296.06830	2.5
297.07584	9.6
304.03696	4.6
305.04376	4.1
305.24921	2.0
307.06161	4.0
307.09470	2.6
308.03079	5.9
308.06631	3.8
309.07571	14.7
309.10965	3.1
312.09946	6.1
318.05341	4.8
319.05969	7.5
320.03320	2.8
320.06754	4.2
322.04776	5.1
322.08487	2.1
323.05569	17.2
323.09308	2.8
324.06125	5.3
324.09988	5.3
327.12363	4.9
333.07568	5.6
334.08533	3.1
335.05481	6.6
335.09030	3.6
336.06305	4.0
337.07004	17.8
338.07822	21.1
339.08536	8.1
339.12079	2.4
341.06494	4.2
341.10217	2.3
350.07779	6.6
351.08682	6.3
352.09332	8.1
353.06454	15.5
353.10211	22.3
354.06784	2.3
356.09000	6.8
356.12607	94.8
357.13327	11.2
365.10266	7.1
367.07751	3.1
368.08984	13.3
371.11032	16.4
371.14914	61.5
372.15430	2.0
383.11292	92.8
384.11551	7.2
385.11401	2.6
386.11737	2.0
389.12167	2.1
413.12213	5.5
423.10168	2.1
425.12308	21.9
439.13950	3.0
455.13495	9.1
467.13446	23.3
468.13910	3.3
472.47052	1.9
480.10425	2.0
481.11224	11.6
495.12796	24.8
496.13647	4.6
497.10861	5.8
512.12524	2.2
515.15521	67.8
516.15704	6.0
527.15491	100.0
528.15784	7.3
673.51678	2.2
887.31226	33.0
888.31329	3.3
899.31110	59.5
900.32135	9.2
916.49139	3.7
917.31854	30.1
917.48077	2.3
918.33612	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	918.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65825	0.2
70.86507	0.2
70.86865	0.4
71.01390	0.2
74.21608	0.2
78.91109	0.2
84.04543	1.0
85.02930	0.3
91.05521	0.2
93.03452	0.2
95.49531	0.2
96.95985	0.4
101.02459	0.2
102.05596	3.2
104.05047	0.6
106.04238	0.7
108.02141	0.3
113.02432	0.5
117.35809	0.2
118.06606	0.3
119.05013	2.2
120.08171	0.5
133.02927	0.4
134.06108	0.4
135.04501	0.6
137.06062	27.3
138.06390	0.5
141.06674	0.2
144.04536	0.4
144.08182	0.2
146.06096	8.8
146.09769	0.3
147.04494	1.2
147.06363	0.2
148.04012	1.0
155.59412	0.2
161.02409	0.9
162.05554	0.3
162.76616	0.2
172.07661	0.8
175.07712	0.2
178.08714	6.4
179.03569	0.2
179.07097	0.8
186.09174	0.3
188.10785	1.9
190.05057	4.7
190.08684	0.4
204.10277	0.3
205.05029	0.8
206.43936	0.2
211.47495	0.2
214.08699	0.3
216.06664	0.4
220.13564	0.2
222.07706	1.5
232.09749	2.2
240.44121	0.2
246.11371	0.4
248.09167	1.1
264.12415	0.2
276.08749	1.0
290.10272	0.3
308.11353	2.9
310.10861	2.6
311.11310	0.2
342.13464	0.4
428.17041	100.0
429.17371	8.2
559.50708	0.2
918.39301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	1.4
65.03977	0.8
67.01883	3.3
68.99810	71.7
69.03449	26.4
69.03832	1.4
70.47375	0.5
70.47714	1.7
71.01375	57.2
72.01710	0.9
72.99297	3.6
73.02944	8.1
75.00868	1.2
81.03479	0.9
83.01377	5.1
85.02431	0.9
85.02944	19.1
87.00867	5.1
89.02435	45.0
91.05549	0.6
92.99847	0.6
93.03448	20.4
95.01374	7.0
95.05016	5.9
96.95959	0.7
97.02927	2.1
99.00868	13.8
101.02434	100.0
102.02780	1.5
107.05009	1.3
108.02186	0.8
109.02943	1.3
111.00857	4.3
113.02440	32.7
114.02770	0.9
119.03489	17.5
119.04937	4.1
121.02941	90.0
121.06574	1.1
122.03160	0.7
122.03727	2.0
123.04510	6.8
124.23254	0.6
125.02432	9.1
127.04007	6.1
129.01968	0.8
131.03508	3.0
133.02933	1.7
134.03732	3.9
135.04497	6.2
136.01643	2.7
137.02434	3.4
137.06107	1.3
139.00334	5.1
139.03990	2.2
143.03490	7.9
143.05148	0.9
145.02927	0.7
146.03719	0.7
147.04510	5.7
149.02419	8.5
149.04503	2.0
149.06039	2.1
150.03185	1.1
151.03995	3.6
153.01915	13.0
153.05563	7.8
159.02962	1.4
161.02534	3.1
161.04553	17.1
161.06007	1.5
162.03233	1.5
163.03998	8.5
165.05515	2.5
167.03465	1.7
171.03040	0.8
175.03969	1.5
176.01085	0.7
176.04810	0.6
177.05504	2.3
177.06903	0.5
179.03429	1.4
179.03735	1.1
179.05573	17.8
179.07114	5.7
181.05038	6.4
189.05516	1.3
191.03459	4.8
193.05028	5.5
195.02937	2.1
195.06592	1.6
197.08170	1.6
205.05035	2.5
207.06696	0.7
209.04552	0.7
213.03902	0.9
223.06084	71.2
224.06421	3.0
233.04488	0.9
237.07414	0.7
241.07169	0.9
247.06017	1.3
255.06355	0.7
265.07166	5.9
269.13867	0.7
277.07132	1.5
283.08185	16.5
297.06073	0.6
301.09363	1.4
307.08145	1.4
315.07175	25.6
316.07547	1.1
333.07828	0.6
341.10187	1.7
353.08615	3.2
356.12589	63.0
357.12933	5.4
359.13556	1.2
367.10214	1.3
371.14920	80.0
372.15289	6.5
385.11365	47.5
385.15265	0.5
386.11841	2.8
403.12408	14.3
404.12573	1.7
427.12250	1.2
445.14005	1.1
469.13461	1.6
477.12378	1.1
499.14706	1.3
547.16577	8.2
548.16760	0.8
623.19067	0.8
655.23840	25.0
656.24475	3.1
687.22858	49.4
688.22992	8.5
688.50775	0.6
757.27032	6.2
758.26947	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63098	22.0
78.95904	16.9
151.05573	14.9
277.21655	32.2
285.03967	20.8
285.71686	15.8
314.15973	16.2
447.09296	34.2
476.37210	18.1
477.26178	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	923.318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.4
69.55077	2.3
69.55482	2.1
71.01374	48.3
72.99287	2.1
73.02939	39.5
75.45463	0.6
78.68761	0.7
83.01371	12.1
84.17939	0.7
84.51931	0.6
85.02946	11.1
87.00861	1.9
89.02432	22.2
95.01378	4.6
97.02898	0.9
98.19872	1.2
99.00881	1.9
101.02431	40.7
113.02436	24.3
119.03594	9.1
119.05009	52.5
120.05353	1.7
125.02399	1.6
131.03487	3.2
135.04547	0.7
137.06049	3.2
140.74644	0.7
143.03503	3.8
145.22546	0.6
145.49309	0.6
146.03691	0.7
149.04510	6.3
155.03343	0.8
161.04541	11.4
164.04716	0.9
176.04608	0.7
179.05556	1.6
179.07094	2.0
195.06621	1.2
220.83908	0.7
221.06583	2.5
281.10254	66.6
282.10605	3.5
299.11292	14.9
300.11526	0.8
341.12347	100.0
342.12787	5.5
375.14563	2.7
556.50604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.4
69.55077	2.3
69.55482	2.1
71.01374	48.3
72.99287	2.1
73.02939	39.5
75.45463	0.6
78.68761	0.7
83.01371	12.1
84.17939	0.7
84.51931	0.6
85.02946	11.1
87.00861	1.9
89.02432	22.2
95.01378	4.6
97.02898	0.9
98.19872	1.2
99.00881	1.9
101.02431	40.7
113.02436	24.3
119.03594	9.1
119.05009	52.5
120.05353	1.7
125.02399	1.6
131.03487	3.2
135.04547	0.7
137.06049	3.2
140.74644	0.7
143.03503	3.8
145.22546	0.6
145.49309	0.6
146.03691	0.7
149.04510	6.3
155.03343	0.8
161.04541	11.4
164.04716	0.9
176.04608	0.7
179.05556	1.6
179.07094	2.0
195.06621	1.2
220.83908	0.7
221.06583	2.5
281.10254	66.6
282.10605	3.5
299.11292	14.9
300.11526	0.8
341.12347	100.0
342.12787	5.5
375.14563	2.7
556.50604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	4.2
67.60674	0.3
68.99805	0.8
69.03461	1.8
69.82940	2.0
71.01375	8.5
72.49607	0.3
72.99297	0.6
81.03432	1.0
83.05016	1.0
85.02932	2.0
87.00841	0.5
89.02438	5.0
90.94916	0.3
93.03445	24.1
94.03763	0.5
95.01385	1.5
95.05019	4.5
96.96021	0.4
98.19867	0.6
99.00848	0.4
99.04511	0.5
101.02430	3.6
109.02907	0.8
111.00883	4.1
111.04502	5.1
113.02440	3.8
119.03479	1.5
120.05762	0.4
120.76955	0.3
121.02946	1.6
127.03973	1.5
130.08727	0.9
132.29082	0.3
133.02946	0.5
133.10231	1.0
135.04512	0.8
135.11740	3.0
137.02420	5.1
139.00308	1.6
139.03984	2.6
143.03470	0.6
146.07350	0.5
147.04483	1.0
149.02444	2.4
155.03488	4.7
159.11774	0.6
161.02415	1.4
161.04498	0.4
161.09688	5.6
162.10056	0.6
163.04001	0.4
173.04518	100.0
174.04863	2.1
175.16010	0.4
179.03331	0.4
179.05623	0.8
179.10753	13.3
191.05722	0.4
193.12315	0.5
203.10789	2.1
211.13362	15.6
211.15388	0.8
212.13641	0.4
221.11934	0.4
223.06163	0.8
223.09715	22.8
224.10121	1.1
275.05621	1.0
275.09180	2.5
281.10162	0.3
307.08173	2.8
345.09845	0.4
377.12360	7.1
385.14850	6.5
385.18631	44.0
386.14755	0.7
386.19241	1.6
395.94040	0.4
403.12302	0.5
437.98801	0.3
539.17621	14.3
540.18042	1.3
579.64984	0.4
739.93427	0.4
877.06946	0.4
927.09027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.2
67.01886	3.9
69.03442	2.1
70.47093	0.2
71.01373	3.1
71.04993	0.5
71.62453	0.2
73.02892	0.2
79.05553	0.2
81.03452	0.9
83.05038	0.9
85.02928	0.6
85.48240	0.2
85.62366	0.2
88.66472	0.2
93.03445	25.1
94.03783	0.6
95.01369	0.2
95.05027	0.4
96.95992	0.2
99.00881	0.2
101.02421	0.3
109.02937	1.0
111.00871	1.0
111.04501	4.7
111.08171	0.4
112.87752	0.2
113.02406	0.4
113.06074	0.2
127.04006	0.5
132.04562	0.3
133.02945	0.3
135.04480	0.6
137.01413	0.4
137.02419	5.0
139.11264	2.1
155.03479	4.8
161.02464	0.4
173.04521	100.0
174.04863	2.6
179.03526	0.3
179.05609	0.2
183.10236	8.3
184.10583	0.3
185.11826	1.0
191.05618	0.3
257.12894	0.2
274.49319	0.2
345.10721	1.5
351.09018	0.2
357.15488	50.0
358.15817	2.8
359.17020	0.5
381.13242	0.3
593.15131	0.2
810.18579	0.2
842.38812	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	4.9
68.99822	0.3
69.03456	1.1
71.01373	4.4
72.99315	0.4
73.21095	0.2
81.03453	1.1
81.79155	0.2
83.01384	0.2
83.05004	1.3
85.02952	1.0
87.00893	0.8
89.02445	1.2
91.01928	0.3
93.03448	30.7
94.03809	0.7
95.01374	0.5
99.00852	0.3
101.02453	1.2
104.36814	0.3
107.04949	0.3
108.02186	0.3
109.02950	3.4
111.00848	1.6
111.03781	0.5
111.04504	6.2
113.02428	1.0
113.72727	0.2
119.03506	0.4
119.05025	0.6
127.03989	1.0
133.02956	0.3
134.03725	0.3
135.04518	0.9
135.08105	0.4
137.02422	6.5
137.06013	0.3
139.00357	0.7
145.02966	0.2
146.03714	1.3
147.04532	1.4
153.09195	8.9
154.09467	0.2
155.03481	4.4
158.03716	1.0
159.04532	0.6
161.02423	1.0
161.04578	0.3
163.04013	0.4
173.04524	100.0
174.04865	2.2
179.03561	0.4
181.05055	0.6
183.10155	0.4
185.11819	0.5
191.05614	1.5
197.08168	6.3
197.11987	0.2
245.47115	0.3
266.05637	0.4
267.06683	1.3
268.07254	0.7
269.13858	0.3
273.07687	2.2
283.09735	1.1
290.57730	0.2
295.42871	0.3
307.08160	0.6
317.10861	0.2
327.08627	1.2
333.15558	0.5
358.15982	0.3
361.09375	0.4
371.13403	51.4
372.13760	2.6
375.10727	0.4
393.11810	3.6
406.43320	0.2
419.12030	0.4
449.20282	0.3
555.17090	7.6
556.17584	0.7
902.14557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	0.6
67.01875	0.8
69.03449	37.2
70.03780	0.5
71.01377	10.8
71.61669	0.2
72.99295	0.9
73.02943	0.5
82.56950	0.3
83.01363	0.7
85.02937	2.4
87.00868	0.5
89.02435	10.0
89.02991	0.5
90.98043	0.2
93.03436	1.3
93.07089	0.5
95.01378	0.9
95.05019	10.7
96.95976	0.3
99.00874	0.3
99.04530	0.7
101.02437	7.6
103.05537	0.4
106.04236	2.2
111.00897	0.6
111.04520	0.5
113.02433	5.2
119.03487	4.7
119.04939	0.4
121.02956	3.3
121.06583	21.0
123.04509	2.6
131.03488	0.3
133.02922	0.6
135.04533	0.5
139.00372	3.2
139.04027	0.9
139.07607	2.3
143.03445	0.6
147.04501	0.3
149.02391	1.1
150.03214	0.5
151.04036	0.2
155.03476	0.4
161.02415	2.6
161.04488	0.6
164.04771	0.9
165.05548	7.5
173.04526	4.6
179.03482	0.3
179.05576	1.5
183.06627	2.8
191.05513	0.4
209.04514	5.3
223.06148	1.7
323.07642	0.6
345.11835	11.7
346.12128	0.7
361.14929	0.4
363.16473	0.4
389.10840	100.0
390.11163	5.9
397.11618	0.3
449.80115	0.3
494.56525	0.3
529.15540	0.6
537.14502	1.7
537.22778	3.1
584.03906	0.3
676.13409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5978
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34618	0.5
67.80382	0.3
69.81768	2.1
78.95892	0.9
84.36762	0.3
96.95956	0.4
117.03452	21.6
118.03741	0.4
119.05012	2.8
124.70784	0.4
145.02933	92.7
146.03261	2.9
152.99596	0.6
163.03996	3.2
195.13861	0.8
226.33838	0.3
245.61703	0.4
275.20242	0.5
293.21182	9.0
294.21542	0.6
467.31137	0.5
469.33444	0.5
603.36969	1.6
633.37842	100.0
634.38165	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	929.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00986	0.3
71.01376	6.0
71.05003	1.0
72.99282	0.4
73.02942	1.6
83.01373	1.3
85.02946	2.7
86.00086	0.4
87.00862	0.8
87.33430	0.2
89.02431	1.9
95.01376	0.3
97.02927	0.1
99.00893	0.7
99.08154	0.2
101.02431	4.2
111.00854	0.6
111.08170	0.2
113.02441	1.7
113.09696	0.4
119.03487	0.6
121.31643	0.2
129.01942	0.2
133.02931	0.6
141.01920	0.2
142.02672	0.2
155.10779	0.4
157.12308	0.9
161.02449	2.0
162.02780	0.2
165.09206	1.5
175.39445	0.2
178.43080	0.1
183.10243	1.8
185.11848	0.2
191.05589	0.3
201.11301	5.5
203.12843	3.0
204.13162	0.2
229.42241	0.2
255.12379	0.2
279.55185	0.1
281.51309	0.2
285.25922	0.1
285.29581	0.2
289.59647	0.2
327.14545	0.3
345.15500	3.9
346.15594	0.3
363.16556	100.0
364.16852	6.2
365.17914	0.2
367.10565	0.2
403.12335	0.3
529.15485	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	929.6716
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31844	1.6
97.06570	3.7
142.66275	0.8
197.43173	0.8
220.82092	0.9
246.56870	0.9
279.23242	27.2
280.23724	1.0
312.95471	1.2
350.62756	0.8
389.28519	3.0
391.30014	4.3
405.31430	6.7
407.33136	8.0
421.32208	0.9
439.31961	2.5
441.33658	9.1
451.32111	32.7
452.32315	2.8
453.33676	100.0
454.34009	10.4
471.34711	4.4
485.36462	57.2
486.36868	5.4
495.72382	1.0
497.32697	7.4
637.71655	1.0
757.80511	0.9
898.91632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.6
70.91624	0.3
71.01373	9.2
71.05003	0.5
72.99287	0.6
73.02939	3.4
81.95895	0.1
83.01369	1.9
84.97455	0.1
85.02937	4.3
85.87431	0.1
86.00095	0.4
87.00880	0.6
89.01904	0.3
89.02437	3.3
90.02759	0.2
92.05264	0.2
95.01366	0.9
95.04998	0.3
97.02929	0.2
99.00851	1.4
99.08126	0.2
101.02433	8.9
107.76423	0.2
111.00887	0.6
111.64050	0.2
113.02431	3.3
115.70930	0.2
119.03493	1.2
119.13322	0.1
121.02965	1.2
123.04495	0.2
143.03508	0.3
157.12331	0.8
159.02994	0.5
161.02454	0.2
161.04539	1.1
161.31343	0.2
165.05513	0.4
165.09172	0.2
167.10815	0.2
173.08173	0.5
179.05573	1.0
183.10237	0.3
185.11839	2.2
191.05585	0.3
201.11310	0.7
203.12846	3.8
204.13237	0.3
221.54860	0.2
223.06139	0.4
296.08722	0.2
329.15985	0.5
347.17041	11.9
348.17419	0.7
363.16586	6.5
364.16885	4.6
365.18076	100.0
366.18402	5.7
371.10004	0.2
403.12387	3.4
404.12711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.7386
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32854	0.3
120.29713	0.1
171.02747	0.1
297.14899	0.1
298.41827	0.1
346.81693	0.1
393.31537	0.2
467.17807	0.1
469.80237	0.1
471.34705	100.0
472.35052	9.6
473.35367	0.2
631.54895	0.2
951.48688	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	933.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82415	0.2
69.03417	0.3
71.01373	7.1
71.60693	0.3
72.27473	0.2
72.99274	0.4
73.02940	3.1
83.01393	0.8
85.02939	5.2
87.00855	1.9
89.02437	1.6
89.03975	0.2
89.91376	0.2
93.03442	0.4
95.01382	1.0
97.02966	0.7
99.00875	0.7
101.02424	4.4
103.04003	0.7
105.03460	0.5
111.00862	0.8
113.02436	5.3
114.66694	0.2
114.93913	0.2
115.01865	0.2
117.03427	1.2
119.03490	0.8
119.05023	2.7
125.02477	0.3
127.03909	0.3
131.03503	2.2
132.02155	0.8
133.02940	25.3
134.03644	0.4
135.04509	4.1
137.06117	0.3
141.01929	0.5
143.03525	0.4
149.04581	0.3
155.03479	0.5
159.03006	0.3
161.02422	100.0
161.04582	3.3
162.02760	3.5
173.04507	2.0
179.03461	2.0
184.99736	0.3
191.05585	1.4
221.06621	2.7
281.10263	7.7
282.10422	0.3
299.11307	0.9
302.21667	0.2
341.12338	4.7
342.12634	0.3
365.18427	0.2
367.12186	1.0
503.18045	0.3
529.15527	92.3
530.15851	8.1
547.16711	1.5
574.62341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.6936
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42976	0.3
71.61958	0.7
73.58540	0.4
73.71398	0.3
157.87033	0.5
185.62482	0.4
191.18668	0.3
207.85884	0.3
235.27177	0.3
332.53104	0.3
358.94067	0.3
407.33047	2.7
450.57071	0.4
455.35223	100.0
456.35580	10.7
694.88824	0.4
711.17731	0.4
933.69415	86.9
934.69781	19.7
942.07312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.6941
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80058	0.7
69.41261	0.6
71.25449	1.3
73.36092	0.7
168.22722	0.8
236.56059	0.8
405.85715	0.9
411.32571	0.9
455.35248	100.0
456.35620	10.8
457.36063	0.7
646.50159	0.9
933.69360	86.5
934.69568	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	935.28
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.4
69.03458	0.3
69.26424	0.9
71.01379	0.8
73.02935	0.3
81.03448	0.2
83.05014	0.4
85.02941	7.5
87.00868	1.5
93.03442	3.0
95.01402	0.1
96.96004	1.9
99.04523	0.3
101.02449	0.1
109.02934	0.8
111.00899	0.1
111.04502	1.1
113.02467	0.2
119.04988	0.1
127.04002	1.9
129.00580	0.1
129.01811	0.1
133.02940	1.4
134.03775	0.2
135.04507	1.8
137.02408	0.3
153.01935	0.2
155.03471	0.1
159.04510	0.1
161.02425	3.5
163.03999	0.2
171.03044	0.6
173.04501	1.4
179.03479	1.5
191.05585	100.0
192.05923	2.5
193.05066	0.2
196.63232	0.1
219.06581	0.3
337.13184	1.1
351.14478	0.1
353.08725	9.8
354.09009	0.5
384.28046	0.1
437.10855	0.2
537.17651	0.1
562.32593	0.1
597.18774	0.1
755.22296	0.3
935.28058	1.9
936.28906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.28
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.4
69.03458	0.3
69.26424	0.9
71.01379	0.8
73.02935	0.3
81.03448	0.2
83.05014	0.4
85.02941	7.5
87.00868	1.5
93.03442	3.0
95.01402	0.1
96.96004	1.9
99.04523	0.3
101.02449	0.1
109.02934	0.8
111.00899	0.1
111.04502	1.1
113.02467	0.2
119.04988	0.1
127.04002	1.9
129.00580	0.1
129.01811	0.1
133.02940	1.4
134.03775	0.2
135.04507	1.8
137.02408	0.3
153.01935	0.2
155.03471	0.1
159.04510	0.1
161.02425	3.5
163.03999	0.2
171.03044	0.6
173.04501	1.4
179.03479	1.5
191.05585	100.0
192.05923	2.5
193.05066	0.2
196.63232	0.1
219.06581	0.3
337.13184	1.1
351.14478	0.1
353.08725	9.8
354.09009	0.5
384.28046	0.1
437.10855	0.2
537.17651	0.1
562.32593	0.1
597.18774	0.1
755.22296	0.3
935.28058	1.9
936.28906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.334
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	26.3
71.61565	0.6
72.99293	1.1
73.02940	1.1
83.01398	0.9
85.02943	31.1
86.03274	0.7
87.00885	2.1
89.02436	13.3
89.02988	0.7
93.65756	0.4
95.01379	13.2
98.32030	0.4
99.00880	0.9
101.02433	7.1
107.04985	0.6
113.02440	67.5
114.02752	1.3
118.98129	0.5
119.03497	4.1
123.04504	8.1
125.02406	0.6
131.03459	0.8
134.03711	1.1
135.04512	47.9
136.04834	1.5
139.60338	0.4
143.03481	1.8
149.02469	0.5
151.03987	1.4
153.05544	6.8
161.04527	4.6
169.43387	0.5
177.22040	0.4
179.05618	1.1
191.05577	0.6
193.05002	0.4
195.20511	0.4
276.22156	0.4
294.43762	0.4
297.09830	2.4
307.13779	0.4
315.07401	0.8
315.10818	8.8
316.10977	0.6
323.09830	1.1
336.53561	0.4
447.15204	1.1
459.14658	0.5
461.16586	100.0
462.16968	7.9
477.16071	92.7
478.16425	7.6
971.97815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	3.6
70.46682	0.6
71.01375	6.9
71.05003	1.2
71.61635	0.6
72.99306	0.8
73.02941	1.4
83.01376	1.8
83.05016	1.4
85.02941	2.4
87.00848	4.5
89.02427	7.3
91.80979	0.6
93.22679	0.5
95.01368	0.7
95.04983	1.2
97.06037	0.5
97.06576	3.8
99.64081	0.6
101.02433	4.1
101.04752	0.7
107.05014	8.1
107.69481	0.7
109.06580	0.8
113.02414	4.9
119.03514	2.5
120.05792	2.3
121.06564	1.4
135.04514	2.8
137.06055	1.0
139.00291	0.8
141.05545	1.2
146.07234	0.5
152.04765	1.2
159.08104	1.3
159.11751	1.5
161.02502	0.7
161.04538	0.9
161.07596	0.7
161.09712	10.7
161.13330	4.5
163.11290	2.6
165.05534	2.0
169.10254	0.6
179.05511	1.0
181.08694	1.5
187.11240	14.8
188.11652	0.7
189.09172	3.6
203.10699	2.7
205.12273	5.1
207.10204	2.8
223.13350	49.6
223.32785	0.5
224.13733	2.0
229.12344	0.9
231.10040	0.7
246.94814	0.5
249.11281	8.9
267.12317	100.0
268.12668	4.4
270.99042	0.6
277.07043	0.9
291.12302	0.8
296.72302	0.6
309.13492	1.9
341.34946	0.6
347.11026	2.9
369.15427	2.4
429.17578	69.0
430.17871	5.5
509.16821	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	941.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	1.4
71.01637	0.1
73.02934	2.3
80.76859	0.2
82.68901	0.2
83.01382	0.6
85.02907	0.3
87.00875	0.6
89.02458	0.4
90.06876	0.2
93.03459	0.2
99.00889	0.2
101.02424	1.0
103.03992	0.3
107.01381	1.6
108.02171	0.7
109.02923	0.6
119.03478	0.4
121.02940	1.0
121.10219	3.9
125.02406	0.3
129.01939	0.2
134.44106	0.1
135.00897	0.4
135.04515	0.5
147.02989	0.3
148.01654	0.7
149.02441	0.2
151.00349	7.4
153.09236	0.2
161.02444	0.9
163.00360	1.3
164.01074	0.3
165.09200	1.2
169.01401	0.3
174.60211	0.2
178.99838	3.1
183.10233	36.8
184.10590	1.3
187.03960	0.3
190.02768	0.2
192.00594	0.3
193.01346	0.3
199.03781	0.4
211.04021	0.5
215.03432	0.2
226.02682	0.8
227.03452	1.5
228.04115	0.2
229.05080	0.3
243.02950	4.7
244.03520	0.4
245.04533	0.7
249.98247	0.2
254.02190	1.2
255.02937	14.3
256.03458	1.0
271.02432	29.0
272.02866	2.0
273.03983	0.5
283.02359	0.5
299.02002	0.5
300.02701	61.9
301.03442	24.0
302.03717	1.3
313.03479	0.2
331.13919	20.9
332.14221	1.3
343.04428	0.4
373.14471	0.2
534.94110	0.2
609.14478	100.0
610.14825	10.7
610.25073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	6.4
68.99810	10.5
69.03445	23.4
69.30080	4.6
70.25981	0.4
71.01373	40.7
72.99297	2.9
73.02941	1.3
75.00858	0.4
83.01374	1.8
85.02936	6.6
87.00871	3.2
89.02433	51.0
89.09766	0.4
90.02769	0.4
91.99309	0.4
92.53835	0.5
93.03430	1.7
95.01361	4.5
95.05017	29.8
96.05361	0.6
96.43659	0.5
99.00867	0.8
99.04504	1.7
101.02429	40.4
106.04207	0.6
108.02144	0.6
109.02943	1.0
111.00869	19.2
113.02432	16.4
119.02627	1.1
119.03484	21.2
119.04934	3.9
121.02939	100.0
121.06562	3.5
122.03249	2.1
123.04508	21.5
124.04876	0.6
125.02466	0.9
127.03996	9.5
127.85509	0.4
131.03496	3.9
135.04501	1.3
136.01675	0.5
137.02461	0.5
137.06091	2.7
139.00354	16.8
139.03960	1.7
143.03473	7.9
146.03654	0.6
147.04495	6.0
149.02438	4.9
149.04523	2.2
151.04008	0.5
153.01915	0.6
153.05577	0.7
161.02470	0.7
161.04541	8.9
163.03960	1.7
165.05548	16.6
177.05537	0.6
177.27863	0.4
179.05617	53.0
179.07114	11.1
180.06000	1.0
181.05035	4.0
188.61572	0.4
191.03481	4.2
209.04517	2.6
213.07657	0.8
223.06076	42.1
224.06436	1.7
227.84764	0.5
241.07074	1.9
298.61191	0.5
301.09283	1.0
324.09918	0.7
333.08173	3.3
339.12308	7.3
371.09747	51.0
372.10028	2.4
403.12369	56.3
404.12729	3.5
519.18732	1.6
537.19702	1.4
821.60919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	1.0
68.99805	0.5
69.03447	3.8
70.25694	0.7
70.26086	0.8
71.60017	0.3
74.81135	0.3
77.03954	4.7
79.86848	0.3
81.03466	0.5
82.86269	0.3
83.85645	0.3
91.05548	0.4
93.03448	2.5
93.07072	4.6
95.05016	23.8
96.05332	0.3
107.05018	0.4
109.02969	0.7
109.06561	1.3
111.00874	0.5
111.04482	0.5
113.02432	2.9
119.05022	2.1
121.02938	7.6
122.03743	3.3
123.04554	0.7
128.90335	0.3
135.04486	0.9
137.02464	5.4
137.06062	100.0
138.02760	0.3
138.06415	3.0
139.00310	0.8
139.04008	0.4
153.05562	1.3
163.04024	1.5
163.82146	0.3
165.01909	13.3
169.16165	0.3
173.04518	2.1
181.05029	2.1
195.06590	1.8
197.04459	0.7
207.02859	1.6
225.03995	8.6
226.04385	0.4
291.08908	0.5
293.51563	0.4
317.10196	3.0
361.09222	80.6
362.09656	5.9
558.27100	0.4
929.96960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	5.6
68.99808	8.3
69.03447	3.4
69.87469	3.0
71.01379	21.4
72.99284	3.0
73.02935	0.8
81.03446	0.8
83.01405	1.3
83.05011	2.7
85.02940	10.2
87.00842	1.1
89.02431	21.8
93.03448	21.5
93.03909	0.5
95.01381	5.6
95.04992	0.7
97.02940	2.0
99.00862	1.7
99.04506	1.5
100.41295	0.7
101.01762	1.2
101.02428	20.2
107.05022	5.1
109.02923	1.4
111.00869	40.1
111.04497	18.4
113.02436	15.2
115.03995	2.7
117.03454	0.8
119.03501	6.8
119.05002	5.1
121.02955	4.1
123.04494	2.0
125.06086	0.9
127.04002	12.7
131.03535	1.3
133.02948	0.9
135.04515	11.6
136.04749	0.7
137.02431	13.4
137.06049	1.9
139.00356	21.6
143.03458	3.1
145.02892	0.9
149.02390	2.6
149.06003	1.2
151.03972	1.5
151.07603	0.9
153.01927	1.5
153.05571	11.8
153.09196	30.8
155.03490	0.8
159.02989	4.2
161.02538	1.5
161.04469	2.0
163.03999	12.2
165.01915	6.6
171.02957	1.9
177.05507	2.4
179.03471	7.8
179.05576	6.3
181.04984	0.7
195.06596	19.0
197.08163	36.3
198.08540	1.0
207.02962	4.9
211.96588	0.7
221.04544	1.2
239.05458	4.1
273.07645	20.7
274.07864	1.9
275.05554	14.6
281.06552	1.3
287.08984	0.9
291.08716	1.7
299.09238	0.8
307.08185	70.6
308.08542	4.0
310.61801	0.7
315.08694	22.2
316.09183	1.3
333.09802	13.4
334.09982	1.8
340.86652	0.8
343.08246	2.7
345.15469	24.5
345.56021	0.8
346.15564	1.0
357.09677	1.7
361.09323	1.3
375.10745	10.5
403.10190	2.3
435.12900	43.6
436.13251	3.6
444.70691	0.8
461.13007	1.4
469.13358	1.3
477.13913	1.3
537.16083	1.4
555.17065	0.9
565.16437	1.2
597.18176	100.0
598.18530	11.1
604.65997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	7.1
71.61300	1.7
73.02927	1.2
84.83655	1.2
85.02933	8.8
89.02425	2.3
95.01376	3.6
96.96015	4.9
113.02431	18.9
121.02940	4.0
125.88195	1.2
125.98689	1.1
132.02145	4.9
133.02940	57.0
134.03644	4.2
135.04514	42.6
137.02374	1.3
149.02397	7.1
151.03960	2.0
161.02422	100.0
162.02733	2.8
175.02272	1.3
175.07597	1.9
177.05566	1.5
178.02805	1.3
179.03474	42.8
180.03917	1.5
189.52048	1.1
190.06229	1.4
201.09235	2.3
203.03511	1.2
203.07088	11.3
257.08105	1.3
297.11447	1.5
344.31277	1.3
374.88022	1.4
440.21979	5.6
455.24860	1.4
487.14502	5.5
651.19336	2.7
652.19989	9.0
710.80756	1.3
781.36426	45.1
782.35779	5.6
902.86859	1.3
943.39545	39.3
944.40131	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	943.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	6.2
71.61075	0.8
72.99277	0.8
73.02917	0.8
77.13567	0.7
78.95887	1.0
85.02939	10.3
89.02431	1.4
95.01357	4.4
96.96004	4.0
105.03432	1.5
107.04993	0.9
109.39205	0.8
111.08208	1.1
113.02436	18.3
117.03475	1.0
120.52003	0.8
121.02943	3.1
123.63782	0.8
132.02148	2.9
133.02942	48.2
134.03737	4.6
135.04510	65.4
136.04877	1.2
137.02412	2.0
139.04004	1.3
149.02437	10.7
149.05994	1.1
150.03226	1.8
160.01680	1.2
161.02423	100.0
161.04576	3.1
162.02768	2.8
164.04729	2.3
175.03964	1.5
177.05574	1.3
178.02617	1.7
179.03474	86.3
180.03839	2.3
181.04987	0.8
193.04988	1.6
203.03442	3.0
233.04564	0.8
291.19681	10.1
310.53470	0.8
338.44635	0.8
487.14566	7.5
487.34311	6.8
489.15887	2.4
651.19153	7.3
652.19940	17.2
653.20404	2.8
738.98944	1.0
781.36395	37.1
782.36591	4.7
943.39398	30.1
944.39978	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	943.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66714	0.9
69.78413	5.2
71.01382	7.1
72.99312	0.9
73.02940	0.8
85.02942	11.6
89.02409	1.4
91.41326	0.8
94.23028	0.9
95.01363	4.1
96.95999	1.8
100.42918	0.9
101.02383	1.1
105.03492	1.3
107.04993	1.2
109.02938	1.2
111.08100	1.7
113.02438	21.3
116.09132	0.8
117.03404	2.4
121.02910	4.6
132.02161	2.7
133.02942	50.4
134.03772	4.9
135.04510	76.3
136.04854	1.6
137.02428	2.4
139.03954	1.4
149.02434	10.0
149.06015	1.2
150.03188	3.2
160.01521	1.3
161.02422	100.0
161.04575	3.6
162.02722	2.4
164.04727	2.6
178.02682	2.9
179.03470	93.7
180.03792	2.8
203.03442	2.8
249.35707	0.8
251.05602	1.7
291.19592	11.3
306.74268	1.1
325.09338	2.0
372.38760	1.0
404.14633	1.0
487.14493	8.0
487.34320	5.5
489.16205	2.9
651.19348	6.5
652.20093	21.4
653.20142	2.8
766.93256	1.1
781.36395	33.7
782.36743	3.8
943.39508	29.4
944.39648	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	943.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26360	1.5
71.01381	3.1
73.02924	0.7
77.76698	0.5
78.95901	0.4
80.75777	0.4
83.63381	0.5
85.02949	4.6
88.98817	0.5
89.02447	0.9
95.01331	0.9
96.96001	1.8
98.20512	0.7
101.02445	0.4
105.03426	0.6
107.05022	0.7
109.02943	1.8
113.02445	5.5
117.03446	0.9
121.02953	2.7
129.36644	0.4
132.02145	1.8
133.02940	19.9
134.03740	5.3
135.04509	70.0
136.04840	2.0
137.02428	1.8
139.03922	0.4
149.02425	3.9
149.06032	0.7
150.03159	1.3
161.02425	49.9
162.02808	1.6
164.04800	0.8
177.05516	0.6
178.02737	2.5
179.03474	100.0
180.03806	3.4
181.05043	0.5
193.04980	1.2
203.03482	1.3
261.18066	0.5
291.19537	1.6
309.20651	1.7
323.07608	0.6
325.08914	0.7
338.00317	0.4
467.58218	0.5
487.14499	15.7
488.14810	0.8
489.15924	1.0
651.19202	10.8
652.20001	29.6
653.20172	3.5
781.36493	7.6
782.36664	1.1
943.39764	5.2
944.40082	0.7
955.96271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.7018
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	0.2
71.04997	0.2
78.95908	0.2
96.96031	0.2
99.33263	0.2
117.14552	0.2
118.02779	0.2
135.04465	0.2
143.21332	0.2
152.99524	0.2
161.02397	0.2
179.03421	0.3
198.05492	0.2
264.43634	0.2
405.31705	0.3
411.32376	0.2
427.35736	0.2
453.33691	2.2
454.34360	0.3
471.34723	100.0
472.35098	10.0
472.41989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.702
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61586	0.3
74.36364	0.1
74.94845	0.1
98.93494	0.1
111.14087	0.1
113.25633	0.1
149.82066	0.1
256.83267	0.1
283.68311	0.1
393.31668	0.1
471.34717	100.0
472.35059	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	944.355
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57874	0.8
71.01371	7.4
71.13887	0.8
71.61463	0.7
71.61840	0.9
81.03441	4.3
83.05022	0.7
85.02945	8.2
87.00885	1.0
89.02435	4.6
93.03439	0.9
95.01397	3.1
95.05018	2.0
96.08189	4.0
96.96016	3.1
101.02440	2.1
107.05036	1.1
109.02905	1.2
109.06569	5.4
109.29561	0.7
113.02432	17.1
114.09232	4.0
116.07165	76.9
117.03452	1.8
117.07484	0.9
123.04514	2.3
132.02151	1.8
133.02943	44.7
134.03542	0.6
135.04517	21.9
135.08131	4.5
137.02477	1.3
138.05583	0.8
140.07155	11.3
142.05090	2.4
145.02956	1.1
153.05518	2.2
158.08205	2.0
159.08122	0.8
161.02426	100.0
162.02765	3.5
163.04047	0.7
166.08665	0.9
175.48666	0.7
176.07124	1.2
178.12296	1.6
179.03453	4.2
179.07103	1.5
194.11865	0.9
203.07040	1.5
205.12294	2.7
209.10014	0.8
220.06178	1.5
220.09686	0.9
229.12228	0.9
232.17053	6.3
249.11246	2.7
262.32956	0.8
276.15967	3.2
294.16879	1.1
297.09814	1.0
315.10785	3.5
320.15024	1.6
338.15881	1.8
410.72632	0.8
411.16385	1.4
412.16898	1.0
461.16580	7.7
462.17361	0.9
531.21667	1.4
532.21716	2.0
623.19702	8.3
782.32281	58.1
783.32568	8.7
944.35406	47.5
945.36029	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	945.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65678	0.8
69.03439	1.4
69.98859	4.1
71.01372	35.6
72.01694	0.9
72.40878	0.7
72.99293	4.3
72.99632	0.7
73.02933	1.7
79.05518	1.8
81.03407	1.3
83.01382	9.5
83.50581	0.8
85.02937	12.3
87.00874	1.8
89.02435	23.4
93.03455	5.1
95.01363	2.9
95.04987	2.9
96.95985	2.3
97.02926	1.1
99.00863	1.6
99.04488	3.1
101.02431	17.4
107.05027	4.5
111.00853	1.0
111.04475	2.1
113.02418	12.8
118.90504	0.8
119.03484	9.7
119.04961	2.5
120.05783	1.9
121.02944	42.4
121.03825	2.0
121.06512	1.0
122.03668	2.4
123.04465	1.4
125.02436	1.2
125.08083	0.8
129.06993	0.7
131.08682	1.1
133.02925	2.0
133.06523	2.5
134.03659	1.5
135.04517	5.4
136.01654	2.1
137.02423	1.9
137.06013	0.9
143.03447	2.0
143.08530	0.8
149.06032	1.4
151.03908	3.2
152.04758	1.3
157.06490	3.5
160.01614	0.9
161.02376	1.5
161.04509	2.4
161.09654	2.2
161.13336	9.3
162.03079	1.2
162.13644	1.2
163.03931	3.6
165.05486	1.0
165.20607	0.8
169.10185	1.4
172.08899	1.2
175.04022	1.0
177.05482	2.0
179.03453	1.5
179.05516	3.2
185.09615	2.2
185.13295	2.0
187.11256	49.2
188.11649	2.4
193.04980	1.0
203.10576	0.8
205.12282	12.7
211.11308	1.8
213.09155	1.9
229.12259	5.8
231.01878	0.9
231.10181	6.8
245.11781	1.3
247.13234	1.8
249.11275	11.0
255.10107	1.6
271.13321	1.4
273.11148	2.8
280.65134	0.9
291.12277	2.7
297.11151	1.0
315.12299	4.7
333.13211	3.3
349.16388	3.2
356.12589	75.7
357.13171	12.3
369.94498	0.9
371.14929	100.0
372.15210	6.4
393.15491	15.2
411.16333	2.9
573.21301	2.0
633.34515	1.0
721.33228	1.4
765.31152	97.5
766.31635	14.4
945.37024	39.5
945.55981	1.4
946.37390	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	945.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.4
71.01376	45.7
71.17154	1.6
72.99286	2.4
73.02945	10.8
77.29791	0.8
81.06399	0.8
82.49568	0.8
83.01380	8.2
85.02942	22.9
87.00853	2.5
87.77132	0.8
89.02436	12.1
93.03429	1.1
93.19667	0.8
95.01396	4.3
96.95993	5.5
97.02928	3.1
99.00883	6.5
101.02433	34.2
111.00886	3.2
113.02432	15.6
119.03500	3.0
119.04992	1.6
120.39108	0.8
125.02411	2.9
128.03522	1.7
133.02937	1.3
135.04521	2.3
139.00386	1.0
141.01831	0.9
143.03429	1.6
146.54465	0.9
149.02383	1.0
151.03902	1.0
153.09175	1.1
158.08112	0.8
159.02962	3.0
161.02400	2.0
161.04541	5.3
163.03954	0.9
169.39735	0.8
197.08234	1.4
213.14966	0.9
307.08151	1.6
315.08652	1.1
704.38599	0.9
783.48798	3.8
945.54102	100.0
946.54443	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	945.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.4
71.01376	45.7
71.17154	1.6
72.99286	2.4
73.02945	10.8
77.29791	0.8
81.06399	0.8
82.49568	0.8
83.01380	8.2
85.02942	22.9
87.00853	2.5
87.77132	0.8
89.02436	12.1
93.03429	1.1
93.19667	0.8
95.01396	4.3
96.95993	5.5
97.02928	3.1
99.00883	6.5
101.02433	34.2
111.00886	3.2
113.02432	15.6
119.03500	3.0
119.04992	1.6
120.39108	0.8
125.02411	2.9
128.03522	1.7
133.02937	1.3
135.04521	2.3
139.00386	1.0
141.01831	0.9
143.03429	1.6
146.54465	0.9
149.02383	1.0
151.03902	1.0
153.09175	1.1
158.08112	0.8
159.02962	3.0
161.02400	2.0
161.04541	5.3
163.03954	0.9
169.39735	0.8
197.08234	1.4
213.14966	0.9
307.08151	1.6
315.08652	1.1
704.38599	0.9
783.48798	3.8
945.54102	100.0
946.54443	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	947.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	26.7
73.02927	3.5
77.68980	1.8
84.88970	1.9
85.02933	6.1
87.00835	2.7
89.02431	30.3
94.40884	1.8
96.95995	11.7
101.02444	16.9
113.02411	10.5
116.92905	2.0
119.03465	8.8
125.02401	7.3
131.03481	8.4
134.03763	2.9
135.04504	2.1
143.03496	4.8
161.02440	5.5
161.04512	8.7
163.07628	17.5
179.03423	2.6
179.05614	25.0
191.39462	1.8
219.01346	1.9
221.06642	15.5
223.06070	2.7
353.10504	3.5
455.13873	6.2
455.29123	4.1
455.35236	65.3
456.35440	5.6
469.36713	6.3
484.20209	2.3
491.11655	5.5
497.36105	6.2
587.39502	2.6
623.41577	12.9
624.41852	2.5
688.06842	2.5
779.47083	3.2
785.46747	4.6
879.84082	2.5
911.50146	40.6
912.50281	5.0
929.94128	2.5
947.47681	100.0
948.48279	19.1
965.71167	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	949.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	1.2
69.03459	0.4
71.01374	1.8
72.99306	0.1
73.02939	0.5
79.06577	0.1
81.03416	0.6
83.01376	0.2
83.04996	0.6
85.02942	11.2
87.00862	3.3
89.02430	0.6
93.03446	11.9
94.03772	0.2
95.01363	0.2
98.20725	0.3
99.00882	0.2
99.04510	0.5
101.02436	0.5
108.02184	0.2
109.02945	0.9
111.00873	0.3
111.04504	2.1
113.02425	0.4
117.03468	0.1
119.03501	0.2
119.05063	0.1
121.02973	0.1
123.04519	0.2
125.02412	0.2
127.03991	3.3
129.01959	0.3
132.02124	0.3
133.02928	0.4
134.03725	3.6
135.04500	0.2
137.02432	0.9
137.06151	0.1
139.04008	0.2
143.03517	0.3
149.02408	0.1
149.06094	0.9
151.03987	0.2
151.07664	0.2
155.03514	0.7
160.01648	0.9
161.02454	0.7
171.02985	0.8
173.04524	4.6
175.04005	0.7
178.02667	1.6
179.03389	0.3
179.05463	0.1
191.05583	100.0
192.05936	2.5
193.05034	4.4
194.05363	0.2
217.05017	0.3
218.05759	0.6
232.85172	0.2
233.08160	1.3
279.06644	0.2
291.08487	0.3
295.09525	0.1
311.09122	0.3
317.10214	0.2
327.12375	0.3
367.10239	3.0
371.11258	0.2
376.34238	0.1
419.13474	0.4
423.14508	0.2
471.42520	0.1
491.16956	0.2
519.15100	0.2
551.18347	0.3
581.18903	0.2
736.88239	0.2
745.85187	0.2
769.22937	1.2
811.23016	0.4
949.29620	15.3
950.29944	2.6
981.22992	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	949.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	4.3
69.03448	2.2
71.01374	7.3
71.05009	0.3
71.61476	0.3
72.99294	0.5
81.03453	1.0
83.01404	0.4
83.05012	1.2
85.02941	1.7
87.00869	0.4
89.02435	5.1
93.03448	28.8
94.03790	0.3
95.01384	0.7
99.00890	0.2
99.04501	0.9
101.02425	2.3
109.02945	1.1
111.00884	1.2
111.04510	5.6
111.08124	0.4
113.02429	3.5
119.03489	2.3
123.55266	0.2
127.03989	0.4
131.03442	0.3
133.02951	1.7
135.04510	1.9
137.02426	5.4
139.11263	1.9
143.03503	0.4
151.03995	0.6
155.03500	4.2
161.02437	4.6
161.04549	1.0
161.13344	2.4
173.04524	100.0
174.04875	2.7
179.03458	2.0
179.05629	2.5
183.10248	6.4
187.11253	5.1
205.12292	5.2
206.12689	0.4
229.12354	1.4
231.10272	0.6
247.13425	0.7
249.11267	6.6
250.11591	0.4
291.12357	0.5
351.14282	0.5
357.15491	39.6
358.15881	2.4
385.18643	1.8
411.16525	7.8
412.16754	0.6
423.78528	0.2
429.17578	14.7
430.17972	0.8
457.08246	0.2
591.22888	18.2
592.23102	1.4
621.18048	1.1
623.19452	0.5
653.20422	2.1
654.20850	0.5
675.00659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	1.3
71.62483	0.5
77.09589	0.4
77.50312	0.3
77.68231	0.4
93.03444	8.2
94.13315	0.4
97.42992	0.4
97.61674	0.4
107.01379	0.8
109.02915	0.5
111.00906	0.4
111.04506	1.6
113.02453	0.7
133.02931	2.5
135.04520	0.7
136.09055	0.3
137.02422	1.3
137.36731	0.3
149.02351	0.9
151.00383	1.9
155.03458	1.2
161.02443	2.8
173.04524	26.7
174.04726	0.5
175.03999	0.6
183.10204	4.1
199.04124	0.9
213.05463	0.4
217.04962	0.5
252.88562	0.4
256.03760	1.2
283.99872	0.4
284.03217	34.9
285.03992	49.3
286.04358	1.8
309.03998	0.5
327.05206	0.4
357.15488	10.4
358.15854	0.5
361.49683	0.4
447.09412	2.4
448.08826	0.5
593.15039	100.0
594.15436	10.7
623.19708	2.1
624.20117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	0.8
68.99812	4.1
69.03455	4.7
71.01376	60.9
72.01713	0.9
72.99289	2.9
73.02940	21.6
75.00853	0.5
78.44128	0.5
83.01382	7.3
85.02943	25.7
87.00880	2.2
89.02435	36.2
95.01373	8.9
95.05007	1.4
97.02961	1.0
99.00867	4.1
101.02436	39.2
111.00898	0.9
113.02435	45.4
114.02693	0.7
119.03545	14.3
119.05011	43.1
120.05351	1.7
121.02938	5.1
123.04528	0.7
125.02370	1.3
127.04002	1.2
131.03493	3.3
133.02919	0.7
135.47107	0.5
137.06062	3.2
143.03496	3.9
147.04488	0.9
149.02397	0.7
149.04546	4.6
150.17386	0.5
152.47633	0.4
153.05571	0.9
161.02444	1.2
161.04533	12.0
163.06136	1.1
165.05524	0.7
179.05598	12.9
179.07043	1.0
180.05991	0.7
181.07155	21.0
197.08229	0.9
203.05525	0.6
221.06612	1.7
223.06068	12.3
224.06448	0.6
281.10269	100.0
282.10605	5.8
299.11340	9.6
303.10815	0.9
335.09750	1.9
341.12360	60.8
342.12738	4.1
359.13589	0.6
371.09906	0.5
403.12418	37.2
404.12827	3.0
405.13934	7.6
406.14328	0.6
495.92578	0.5
521.42590	0.5
567.18976	5.5
966.60693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	8.8
71.60898	0.2
72.01699	0.3
72.99307	0.8
73.02928	0.9
83.01379	0.8
85.02943	1.8
87.00867	0.3
89.02433	8.7
93.03441	0.5
95.01383	0.8
99.00850	0.3
101.02428	7.2
102.02725	0.3
109.06579	0.2
111.00847	0.2
113.02431	3.9
119.03480	3.7
119.04941	0.9
120.05371	0.3
121.02935	0.5
131.03450	0.2
137.02437	0.9
143.03476	0.3
147.08199	0.2
149.04495	0.3
152.28180	0.1
156.39120	0.1
161.02391	0.1
161.04549	0.4
163.11255	6.1
164.11589	0.2
173.04361	0.2
173.31578	0.1
177.01808	0.1
179.05580	0.6
184.28406	0.1
207.10233	6.9
208.10582	0.2
225.11343	0.4
249.06131	0.3
281.10205	0.6
282.10587	0.3
316.95905	0.2
341.12375	0.7
342.12680	0.6
343.12906	0.4
369.15512	0.3
387.16534	100.0
388.16885	6.8
403.12271	0.5
404.12604	0.2
489.04715	0.1
503.31799	0.1
503.92709	0.1
855.18329	0.2
946.06403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01874	0.6
67.04354	0.2
69.03448	36.5
70.03770	0.3
70.44445	0.5
70.44839	0.5
71.01371	10.2
72.99292	0.9
73.02921	0.4
83.01360	0.4
85.02953	1.8
86.36389	0.2
87.00857	0.6
89.02433	11.3
93.03465	0.5
93.07082	0.5
95.01358	1.1
95.05012	9.9
99.00845	0.4
101.02432	7.2
103.05505	0.3
106.04235	2.4
111.00867	0.8
111.08150	0.3
113.02431	4.5
119.03486	4.8
119.05002	0.6
121.02949	3.8
121.06582	17.4
121.85357	0.2
122.06899	0.8
123.04503	1.9
131.03455	0.4
139.00360	3.2
139.04001	0.9
139.07628	2.2
143.03477	0.4
143.44461	0.2
149.02443	0.5
149.04425	0.3
161.04549	0.6
165.04121	0.3
165.05547	6.8
166.05957	0.3
166.21954	0.2
173.04527	0.3
173.08192	0.2
179.05568	1.6
183.06567	3.3
209.04526	5.7
215.61336	0.2
345.11871	11.4
389.10837	100.0
390.11130	4.5
403.12213	0.4
590.29559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.9
69.03448	33.8
69.22343	1.6
69.22757	0.4
70.03785	0.6
71.01376	14.3
71.05001	0.2
72.99301	1.2
73.02959	0.4
76.67323	0.2
83.01380	0.5
85.02939	2.9
87.00872	0.4
89.02435	13.8
90.02759	0.2
93.07095	0.4
95.01396	1.4
95.05016	9.3
96.05405	0.2
99.00877	0.5
101.01768	0.4
101.02434	8.6
102.02778	0.3
103.05531	0.5
105.92918	0.2
106.04237	2.7
111.00906	0.9
111.08140	0.3
113.02431	6.1
119.03493	5.6
119.04991	0.6
121.02951	3.8
121.06583	22.3
122.06908	0.7
123.04501	2.3
131.03474	0.7
133.02872	0.2
137.06010	0.3
139.00360	4.3
139.03978	0.9
139.07646	5.6
140.00681	0.2
143.03487	1.0
147.04419	0.3
149.02406	0.8
149.04533	0.4
161.04507	0.8
165.05544	9.0
166.05980	0.2
179.03613	0.2
179.04175	0.2
179.05580	1.8
181.07100	0.8
183.06627	2.6
209.04530	6.4
210.04951	0.3
223.06152	0.2
278.43011	0.2
281.10220	0.4
282.10577	0.4
309.81628	0.2
341.12567	0.2
345.11838	12.0
346.12082	0.6
389.10834	100.0
390.11194	6.3
391.11383	0.5
403.12399	1.0
413.68277	0.2
434.95642	0.2
516.84241	0.2
914.09998	0.2
969.70306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	3.1
68.99807	8.1
69.03444	6.9
71.01373	20.5
71.61830	0.7
72.99290	1.9
73.02935	3.6
83.01356	1.7
85.02942	7.1
87.00851	1.1
89.02431	17.0
92.91103	0.4
93.03446	0.8
95.01390	3.5
95.05013	33.5
97.02915	0.6
99.00865	1.5
99.04501	1.0
101.02429	22.5
111.00863	20.1
111.04488	1.1
113.02435	10.8
119.03503	6.2
119.04991	0.6
121.02938	11.9
121.06585	0.5
123.04497	2.2
127.03982	5.9
131.03490	1.1
133.02933	1.0
135.04491	2.9
137.06050	0.8
139.00362	11.0
139.03993	17.5
143.03455	1.9
147.04500	5.9
149.02417	19.9
150.02754	0.6
153.05530	2.3
161.02420	3.0
161.04518	3.4
162.02774	0.6
163.03970	0.9
165.05528	1.8
166.80717	0.5
171.02995	0.5
173.04529	1.2
179.03496	1.7
179.05687	2.7
179.07060	0.8
181.05054	0.9
181.12337	1.3
191.03470	3.2
191.05544	0.9
195.06590	1.1
197.08139	1.1
209.04446	0.5
223.06067	5.4
223.13379	0.5
224.06488	0.5
225.11256	6.6
267.12335	0.7
275.05600	8.4
275.09192	19.9
276.05972	0.6
276.09436	0.8
307.08157	19.4
308.08786	0.5
327.08420	2.1
327.14319	2.7
331.17542	3.3
345.09717	3.9
359.11456	1.0
373.18677	1.1
377.12338	47.3
378.12857	2.8
403.12488	3.8
417.17462	1.2
469.13522	0.6
539.17603	100.0
540.18073	8.8
623.18787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.1
71.01378	6.2
73.02937	8.8
85.02950	1.6
87.00864	2.2
89.02441	1.2
93.77016	0.1
95.01362	0.5
98.36536	0.2
99.00877	0.2
101.02433	3.2
103.03998	1.7
113.02431	2.4
119.03486	1.2
123.04541	0.3
125.09803	0.1
132.02170	0.4
133.02940	6.7
134.03195	0.2
135.04507	3.2
136.04901	0.2
139.11267	2.3
147.03011	0.7
153.05498	0.3
161.02420	22.9
162.02719	0.9
179.03499	0.8
180.33823	0.2
183.10382	0.2
185.11795	100.0
186.12122	3.4
238.64478	0.2
288.78687	0.1
297.09903	0.2
315.10773	0.2
331.13864	0.3
333.15488	72.0
334.15811	3.4
461.17041	0.7
538.25293	0.2
557.56384	0.2
623.19727	25.1
624.19952	2.6
625.20221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	3.1
68.99807	8.1
69.03444	6.9
71.01373	20.5
71.61830	0.7
72.99290	1.9
73.02935	3.6
83.01356	1.7
85.02942	7.1
87.00851	1.1
89.02431	17.0
92.91103	0.4
93.03446	0.8
95.01390	3.5
95.05013	33.5
97.02915	0.6
99.00865	1.5
99.04501	1.0
101.02429	22.5
111.00863	20.1
111.04488	1.1
113.02435	10.8
119.03503	6.2
119.04991	0.6
121.02938	11.9
121.06585	0.5
123.04497	2.2
127.03982	5.9
131.03490	1.1
133.02933	1.0
135.04491	2.9
137.06050	0.8
139.00362	11.0
139.03993	17.5
143.03455	1.9
147.04500	5.9
149.02417	19.9
150.02754	0.6
153.05530	2.3
161.02420	3.0
161.04518	3.4
162.02774	0.6
163.03970	0.9
165.05528	1.8
166.80717	0.5
171.02995	0.5
173.04529	1.2
179.03496	1.7
179.05687	2.7
179.07060	0.8
181.05054	0.9
181.12337	1.3
191.03470	3.2
191.05544	0.9
195.06590	1.1
197.08139	1.1
209.04446	0.5
223.06067	5.4
223.13379	0.5
224.06488	0.5
225.11256	6.6
267.12335	0.7
275.05600	8.4
275.09192	19.9
276.05972	0.6
276.09436	0.8
307.08157	19.4
308.08786	0.5
327.08420	2.1
327.14319	2.7
331.17542	3.3
345.09717	3.9
359.11456	1.0
373.18677	1.1
377.12338	47.3
378.12857	2.8
403.12488	3.8
417.17462	1.2
469.13522	0.6
539.17603	100.0
540.18073	8.8
623.18787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	0.4
69.38013	2.4
71.01373	7.4
74.51453	0.2
83.01370	0.4
85.02946	5.3
87.00865	0.3
89.02436	2.1
95.01362	1.5
99.00865	3.5
101.02416	2.4
105.03448	0.6
113.02438	12.4
115.00313	0.3
117.03454	0.6
119.03505	0.8
123.04510	1.1
124.35161	0.3
132.02155	1.6
133.02946	29.3
134.03453	0.3
135.04517	12.3
136.04842	0.3
139.11292	0.3
147.02972	5.3
153.05498	0.9
161.02428	92.4
162.02762	2.7
168.35507	0.3
173.04541	0.4
178.02751	0.3
179.03470	2.3
185.11810	12.5
186.12126	0.4
278.92291	0.3
297.09601	0.4
315.10745	1.4
333.15530	8.7
334.15784	0.5
384.13113	0.3
461.16635	3.7
623.19739	100.0
624.20111	9.7
624.28784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99760	0.7
69.03468	0.6
71.01375	41.5
71.62838	0.7
72.99289	1.5
73.02939	12.8
75.00848	1.3
82.95421	1.4
83.01371	8.2
85.02940	22.3
86.03300	0.8
87.00848	2.1
89.02428	5.7
95.01359	3.5
96.95998	4.3
97.02925	1.7
99.00847	5.5
101.02441	26.2
109.02882	0.8
111.00855	1.6
113.02428	18.1
117.03422	1.7
121.02911	1.1
125.02453	1.1
125.57986	0.7
131.03500	1.6
133.02965	0.9
133.10437	0.7
134.03697	2.4
135.04475	1.7
143.03453	1.4
145.02921	3.7
150.03194	1.6
151.03987	1.1
159.02960	2.2
161.02409	1.9
161.04520	8.1
165.05479	1.5
175.03926	0.7
179.03429	0.7
191.05597	1.0
193.04930	1.5
195.06642	0.9
213.14926	2.9
231.82220	0.7
313.10870	0.9
331.24066	0.7
331.30545	0.7
343.11865	0.8
348.20068	0.7
603.42780	4.8
633.38196	2.5
765.47839	21.1
766.47998	2.8
809.46930	2.7
897.52069	100.0
898.52539	16.5
957.45953	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90508	1.0
69.03452	1.0
71.01376	37.7
72.99298	2.5
73.02940	11.3
75.00861	1.3
75.64531	1.0
83.01376	6.4
85.02937	18.4
86.00099	1.1
87.00858	2.1
89.02428	11.1
94.26459	0.9
95.01365	3.8
96.95994	5.5
97.02930	2.8
98.20629	2.5
99.00891	5.6
101.01765	1.6
101.02437	31.9
109.02911	1.0
111.00859	1.7
113.01687	1.2
113.02439	15.5
117.03465	1.0
119.03477	2.3
124.39381	0.8
125.02433	4.7
129.01904	1.0
130.52678	0.8
131.03433	3.2
132.02194	1.2
134.03702	3.9
135.04518	2.1
143.03455	2.6
143.04625	0.8
145.02921	1.2
155.22725	0.8
158.00746	0.8
159.02934	2.4
160.01651	2.0
161.02486	2.0
161.04526	9.4
175.03958	3.5
179.05591	0.9
193.04991	2.2
255.47252	0.9
276.23547	0.8
304.66254	1.3
324.77505	0.9
382.71573	0.9
513.07239	0.9
633.37842	1.0
663.38812	2.5
735.46521	2.1
742.76184	1.0
765.47894	11.1
776.77130	1.1
897.52039	100.0
898.52313	16.9
957.49316	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	958.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37631	2.0
69.38055	1.5
71.01364	6.6
73.02926	0.8
80.05042	0.5
81.03450	4.4
83.01364	0.5
83.05015	0.6
85.02935	8.2
87.00874	0.8
89.02428	3.1
93.03433	0.8
95.01366	2.8
95.05003	1.7
97.02911	0.8
97.06588	0.6
101.02431	1.5
105.03428	1.1
109.06570	4.8
110.09728	5.2
113.02431	18.9
117.03455	1.3
119.03505	0.9
119.05033	0.5
123.04491	3.0
126.09256	1.0
128.10793	4.0
128.86008	0.5
130.08719	81.0
131.09050	1.3
132.02141	3.5
133.02937	46.8
133.06561	1.0
134.03674	0.6
135.04503	26.0
135.08131	6.2
136.04784	0.6
136.11273	0.8
140.07201	1.1
143.03458	0.7
149.09708	0.6
152.07138	0.8
153.05585	2.2
154.08716	14.8
155.08954	0.5
156.06645	2.5
159.08076	0.7
160.01588	0.6
161.02419	100.0
161.06033	1.9
161.09695	1.3
162.02751	2.6
164.14413	0.8
172.09784	2.5
177.09204	1.2
179.03450	3.1
179.07068	1.3
181.08678	1.3
192.13924	1.7
192.31180	0.5
194.11833	0.7
196.13457	0.7
203.07094	1.0
208.13390	0.5
218.15492	1.0
220.09718	0.8
230.15424	0.8
231.20988	0.5
234.11407	0.7
236.12845	0.8
246.18542	6.3
248.16624	0.5
290.17569	4.7
297.09735	1.0
308.18546	0.9
315.10831	3.2
334.16592	2.7
352.17584	1.9
392.17401	0.6
443.15454	0.5
461.16553	9.2
462.17010	0.6
623.19824	8.7
634.71405	0.5
796.33820	66.1
797.34320	8.9
958.36957	53.7
959.37103	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	958.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	13.3
73.02924	0.8
74.68220	0.8
81.03473	4.2
83.04978	1.7
85.02941	14.3
89.02428	6.2
95.01369	6.3
95.04993	2.2
95.13787	0.7
96.95982	2.0
97.02901	2.4
99.86475	0.8
101.02429	4.7
103.03970	0.8
105.03419	1.9
107.04963	1.1
109.06582	4.4
110.09769	6.1
113.02438	30.8
117.03378	1.4
119.03435	1.1
119.04996	1.4
121.69669	0.7
123.04514	5.9
126.09189	1.0
128.10826	4.2
130.08722	92.7
131.09021	2.0
132.02144	4.3
133.02940	47.8
133.06496	1.2
134.03612	1.6
135.01193	0.8
135.04507	38.1
135.08131	8.1
152.07170	0.9
153.05582	4.4
154.08702	15.7
156.06598	2.8
159.08130	2.0
161.02422	78.5
161.04559	3.1
161.06020	2.9
162.02754	2.2
163.03996	1.0
172.09735	3.8
175.07536	0.8
177.09116	1.8
179.03450	3.6
179.07033	2.1
181.08621	1.5
192.13840	2.2
194.11835	1.2
203.07060	2.5
208.13538	0.8
218.15395	1.1
230.15425	1.5
234.11298	1.3
246.18581	6.0
264.57532	0.7
290.17548	4.0
297.09717	1.8
315.10736	5.0
334.16428	2.7
362.82245	0.8
443.15836	1.2
461.16565	14.7
462.16739	0.8
508.15863	0.8
623.11230	1.0
623.19843	6.5
796.33850	100.0
797.34076	13.3
819.67987	0.9
827.27161	1.2
958.36957	58.8
959.37061	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	959.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	10.9
71.15742	0.4
72.99292	0.4
73.02920	0.4
74.35909	0.3
76.59527	0.3
83.01365	0.3
85.02948	11.2
87.00855	0.5
89.02436	5.2
95.01376	4.7
101.02412	1.6
109.81933	0.4
113.02438	31.5
114.02816	0.8
119.03497	1.0
123.04508	1.3
125.02391	0.5
131.03477	0.3
135.04510	22.3
136.04910	0.5
143.03473	0.8
153.05542	1.4
161.04584	2.6
183.84900	0.3
199.92877	0.3
205.22763	0.4
297.09750	1.4
315.10803	4.5
461.16577	100.0
462.16940	7.8
463.16629	0.6
497.14105	5.1
748.26575	0.3
955.09351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6963
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	3.0
71.31155	1.4
71.31483	1.5
76.98795	9.9
83.04984	1.2
96.95990	1.3
99.45996	1.0
100.45945	1.1
121.02875	1.3
161.02376	1.8
162.66589	1.0
179.03484	1.5
239.63046	1.4
340.32477	1.3
377.28555	2.2
391.29846	2.6
399.32571	8.5
405.31735	1.7
407.33136	100.0
408.33478	10.2
409.34888	22.4
411.32440	2.3
423.32742	9.7
424.32727	1.4
425.34274	5.0
426.34753	1.6
427.35757	16.5
441.33713	2.4
443.35025	4.5
451.31693	1.8
453.33682	42.9
454.33917	4.8
467.31537	3.2
469.33102	29.5
470.33670	3.5
471.34735	94.5
472.35025	10.3
473.35632	3.3
485.32910	2.2
487.34253	45.0
488.34439	4.3
513.31915	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	961.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	3.5
68.99807	8.0
69.03455	0.6
71.01391	1.5
71.61240	0.5
73.02941	0.6
77.03978	0.5
79.05526	0.7
81.03445	1.1
83.01367	0.5
85.02941	3.8
87.04502	8.7
89.02436	1.3
91.01875	1.1
91.05532	1.2
93.03448	5.0
93.07093	1.8
95.01372	0.9
99.04462	0.6
101.01770	0.7
101.02435	13.2
106.04231	5.8
107.05003	1.6
108.02176	0.9
109.02919	0.6
109.06582	14.1
111.00872	13.5
111.04512	3.1
113.02457	1.0
119.05016	8.8
121.02953	5.2
121.06583	100.0
122.06903	2.4
123.04507	2.1
125.02419	1.2
125.06064	1.0
127.04008	7.0
132.02132	0.5
133.02954	1.2
135.04500	2.7
136.01595	0.6
137.02432	11.2
137.06067	10.1
138.03209	0.8
139.00343	4.0
139.07669	2.8
143.03503	0.7
145.02888	0.5
147.04514	10.8
149.02437	0.6
151.03981	0.9
151.07626	8.8
153.01910	1.2
153.05598	8.6
153.09193	83.9
154.09520	2.0
161.02440	3.9
163.03989	4.2
164.04797	0.8
165.05548	70.0
166.05901	1.5
167.03461	1.2
171.02968	2.5
177.05458	0.7
179.03503	6.7
179.05592	1.1
179.07097	10.0
180.03815	0.5
181.05046	1.2
183.06548	0.7
185.08249	1.3
189.01952	1.6
191.03369	0.4
195.06602	7.7
197.04573	3.1
197.08160	55.6
198.08472	1.8
207.02966	0.7
211.06154	0.5
221.04515	1.2
223.06085	1.2
227.05591	1.0
229.07077	2.6
239.05505	1.8
241.07147	6.3
257.08182	2.8
259.08203	0.8
275.09259	1.6
291.08710	48.0
292.09015	2.3
303.12308	1.3
315.12360	10.1
316.12598	0.8
317.10248	16.4
317.13882	4.4
318.10562	0.8
327.08615	1.2
329.10336	1.7
347.11298	1.5
349.12830	3.1
359.11285	10.9
360.11752	0.5
361.12863	44.9
362.13251	2.4
379.13931	37.8
379.21127	0.6
380.14304	2.0
419.13425	24.3
420.13675	1.7
453.13928	0.5
489.13440	0.5
521.16467	0.8
581.18719	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	961.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90622	0.4
71.01376	8.3
71.61726	0.6
72.99297	0.9
73.02927	0.8
79.05528	1.0
79.25584	0.4
79.95745	0.5
81.07074	0.8
82.08695	0.4
83.01357	0.5
83.05009	2.3
85.02946	1.5
87.00877	2.6
89.02431	10.4
90.72092	0.4
95.01398	0.9
95.05000	0.9
96.95992	15.5
97.06580	0.6
99.04508	1.8
101.02437	5.6
105.07078	1.0
107.05023	3.3
113.02426	4.6
113.06135	0.4
119.03507	3.4
119.05003	5.2
120.05766	1.7
131.03461	0.5
133.02927	1.6
135.04512	2.2
137.06064	0.7
147.08154	0.5
152.04689	1.0
159.08131	0.9
159.11772	0.7
161.02458	3.4
161.04559	0.9
161.09708	7.6
161.13335	10.8
163.11221	0.7
179.05550	0.9
179.10715	0.8
187.09517	0.6
187.11253	12.9
189.09224	5.1
203.10732	1.2
205.12296	23.0
206.12656	1.0
207.10286	1.1
229.12389	0.7
249.11272	84.6
250.11604	3.4
267.12299	1.1
273.11304	0.5
299.11319	1.7
405.15659	0.7
411.16843	28.7
412.17896	2.2
510.65701	0.4
549.23328	100.0
550.23608	9.7
823.15973	0.5
909.27429	0.5
961.28741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49618	3.7
71.01377	44.5
72.99302	2.8
73.02943	14.0
76.77651	0.5
78.95911	0.6
79.92243	0.6
83.01379	6.4
85.02953	19.9
87.00867	3.4
87.99094	0.6
89.02443	11.9
95.01389	3.6
96.96027	3.6
96.96973	0.7
97.02949	1.4
98.19792	0.6
99.00863	4.8
101.02438	35.4
113.01691	1.1
113.02444	19.0
113.03236	1.2
119.03502	5.3
125.02428	1.5
131.03452	1.1
133.02972	6.5
135.04526	5.0
143.02499	0.6
143.03502	2.8
145.02927	0.9
151.04005	0.7
159.02936	3.1
161.02452	10.8
161.04524	15.6
179.03502	4.7
179.05600	0.9
193.15918	1.7
195.58836	0.6
203.05539	1.9
205.15952	6.0
223.17088	1.3
229.63640	0.6
235.08177	1.7
289.18045	1.6
310.73859	0.6
319.18985	0.8
357.22809	4.9
367.21204	25.0
367.25845	1.4
368.21478	1.7
385.22272	47.0
386.22592	3.4
427.23318	100.0
428.23593	5.8
471.24878	0.9
477.67487	0.7
489.27087	9.9
490.27484	0.9
652.19531	0.8
799.38239	2.3
961.40259	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	962.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	3.9
71.37737	1.2
85.02949	4.9
89.02433	1.7
95.01374	2.3
100.72720	0.6
109.81532	0.6
113.02441	10.2
114.09248	1.2
115.48817	0.6
116.07157	9.8
117.03396	0.6
119.76965	0.6
123.04540	0.9
131.75752	0.6
132.02109	1.3
133.02939	30.6
134.03357	0.6
135.04509	12.9
153.05540	1.0
161.02420	100.0
162.02730	3.6
179.03459	3.7
179.49088	0.5
184.11118	0.6
315.10840	1.7
338.16016	4.5
368.07712	0.6
443.25262	0.6
461.16376	3.3
470.06210	0.7
623.19714	92.8
624.20032	10.2
771.25897	0.6
806.27832	0.7
838.60120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01879	2.6
68.99806	1.1
69.03435	1.1
70.93189	0.5
71.01368	3.8
73.02932	0.4
75.45972	0.2
78.86729	0.2
81.03448	0.9
83.05018	1.5
85.02943	12.8
87.00865	4.0
89.02447	2.4
90.49931	0.2
91.01871	0.3
93.03446	18.2
95.01379	0.9
99.00845	0.4
99.04507	1.0
101.02416	2.0
107.04996	0.6
108.02139	1.4
109.02950	1.8
111.00873	5.3
111.04513	6.8
113.02433	1.9
114.66589	0.2
117.03458	0.5
119.03510	0.6
119.05013	0.6
120.99603	0.3
121.02929	1.1
123.04498	1.4
125.06123	0.3
127.03998	5.1
129.01942	0.3
133.02916	0.9
134.03731	10.6
135.04541	2.2
136.01712	0.2
137.02426	3.8
137.06046	0.3
139.00349	2.8
139.03970	0.3
143.03505	0.3
145.02927	0.6
149.02435	0.6
149.06024	1.7
150.03255	0.3
151.03961	0.3
151.07590	0.3
153.01939	0.3
153.05568	1.6
155.03462	1.5
159.04507	0.6
160.01646	0.9
161.02473	0.9
163.04012	1.2
165.01912	1.1
165.05528	0.2
171.02968	1.4
171.04329	0.4
173.04523	8.1
175.03934	1.0
177.05487	0.5
178.02699	2.2
179.03525	1.3
179.05647	0.4
184.05217	0.3
185.02324	0.3
191.05585	100.0
192.05916	2.0
193.05032	7.2
195.06598	2.3
212.04845	0.2
217.03206	0.2
217.05045	1.0
218.05818	2.4
221.04573	0.2
233.08162	3.2
242.81441	0.2
243.06584	0.8
253.08813	0.2
259.09702	0.3
261.11310	0.2
273.07675	3.8
275.05554	1.9
279.06439	0.3
291.08722	0.3
295.09717	0.5
296.06738	0.3
303.08667	0.2
307.08188	3.7
309.11154	0.3
311.09207	0.5
312.09894	0.4
315.08652	1.9
327.12390	1.0
333.09637	1.3
339.08749	0.2
343.07977	0.4
353.10269	0.3
357.09750	0.3
363.61557	0.2
367.10236	3.7
368.10715	0.2
371.11365	0.4
375.10730	0.8
407.11209	0.6
423.78638	0.2
435.12909	1.8
451.12796	0.2
507.16656	0.7
525.17749	1.5
567.17688	0.2
579.14899	0.6
597.18134	5.5
598.18433	0.5
785.22949	1.4
786.24255	0.3
791.23920	3.4
792.24542	0.5
965.29150	24.9
966.29535	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	965.6837
Annotation	Unknow
Peak:m/z	Relative Intensity
78.69638	0.3
78.88808	0.4
98.20581	0.8
181.95415	0.4
255.23315	0.6
280.56049	0.4
344.08344	0.4
401.17841	0.4
423.32037	0.4
471.34723	100.0
472.35107	9.1
480.31155	0.6
488.83597	0.5
489.63748	0.4
842.49756	0.5
965.68402	99.3
966.68652	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	965.6841
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76035	1.5
84.99824	0.7
88.55294	0.6
155.83244	0.5
305.42648	0.6
393.31595	1.2
427.35858	0.7
453.33826	4.8
454.34344	0.6
471.34720	84.3
472.35052	7.3
544.09235	0.8
943.87714	0.7
965.68378	100.0
966.68634	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	965.684
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75464	0.6
70.75805	0.4
78.95897	0.7
84.30836	0.3
98.19753	0.3
170.46660	0.3
203.40782	0.2
222.32764	0.3
255.23267	4.6
271.34601	0.3
335.65381	0.3
340.25165	0.3
353.59280	0.3
375.10281	0.3
377.28378	0.4
393.31668	0.9
423.32770	1.0
471.34711	100.0
472.35071	7.3
480.30832	5.6
579.71252	0.3
938.24554	0.3
948.87854	0.3
965.68365	83.6
966.68573	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6814
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45652	0.6
78.95900	1.6
127.83176	0.2
139.49434	0.2
152.99565	0.7
236.59407	0.2
242.07860	0.5
243.24699	0.2
255.23256	20.8
256.23547	0.7
393.31598	0.7
405.31693	0.2
423.32828	1.0
471.34726	100.0
472.35056	17.3
473.35504	0.3
480.30878	26.1
481.31265	1.6
716.05634	0.3
907.60199	0.6
915.81506	0.2
965.67889	1.1
966.68585	23.6
967.68616	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	967.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01342	0.1
71.61534	0.2
80.43047	0.1
83.01367	0.4
84.96394	0.1
93.03474	0.1
105.03437	0.2
107.01376	1.2
109.02946	0.1
121.02953	0.3
132.02206	0.1
133.02925	5.4
134.03297	0.1
135.04488	0.3
143.62277	0.1
145.02866	0.2
149.02423	1.2
151.00342	3.7
161.02417	0.4
165.51933	0.1
169.06534	0.1
171.04480	0.3
175.03969	2.0
185.06078	0.2
187.03822	0.1
197.06012	0.3
198.03192	0.3
199.03995	1.8
201.01842	0.6
211.03816	0.1
213.05519	0.4
215.03461	0.4
217.05016	1.2
226.02713	0.1
229.05026	0.2
239.03236	0.2
240.04239	0.1
241.04965	0.7
242.02301	0.1
243.02905	0.4
251.49089	0.1
256.03815	0.1
257.04517	0.4
267.03079	0.3
268.03680	0.1
281.04633	0.2
284.03168	0.4
285.03998	100.0
286.04349	4.2
343.09409	0.2
431.09998	0.2
447.09247	18.9
448.09644	1.1
519.14771	0.4
623.18561	0.2
744.41516	0.1
978.57574	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	10.7
68.99808	44.7
69.03447	4.6
71.01373	13.5
71.62872	0.6
72.99285	1.7
73.02934	1.0
81.03456	1.7
83.01369	1.7
83.05015	0.7
85.02940	11.9
87.00864	2.1
89.02434	16.2
89.02985	0.9
91.05525	3.5
93.03443	17.2
95.01367	3.6
95.05024	1.7
96.96008	1.7
97.02924	1.6
99.00877	3.0
99.04519	2.1
101.02430	58.1
105.63253	0.7
106.04242	0.9
107.05015	3.8
108.02224	0.7
109.02939	2.1
111.00867	27.8
111.01642	1.4
111.04500	4.7
113.02425	6.8
117.03453	1.5
119.01402	0.9
119.03548	6.4
119.05012	19.1
121.02947	16.2
121.06551	0.9
123.04549	1.8
125.02444	7.2
125.06057	3.0
127.03997	24.4
131.03474	0.6
133.02954	3.1
134.03722	1.4
135.04514	9.1
136.01674	1.4
136.05328	1.1
137.02432	5.3
137.06059	10.8
139.00348	11.8
143.03462	5.1
145.02875	1.5
147.04491	1.9
149.02417	1.1
149.04538	1.1
149.06073	1.7
151.04004	4.3
151.07622	28.1
152.08012	0.7
153.01938	7.6
153.05550	5.6
161.02425	8.9
161.04498	3.6
161.05940	0.9
163.03976	13.2
165.01881	1.0
165.05649	0.8
167.03445	1.1
167.07123	1.4
171.02969	9.2
173.04559	0.7
177.05527	3.4
179.03473	20.9
179.05565	9.2
179.07066	1.6
181.05063	1.4
189.01888	8.5
191.03497	0.8
193.05020	2.3
195.02910	1.3
195.04767	1.1
195.06589	22.5
196.07013	0.8
197.08087	0.7
205.05022	1.0
207.02954	1.3
211.78738	0.6
213.03925	1.4
221.04498	6.0
223.06081	12.2
239.05579	3.5
257.08160	6.9
259.06058	0.8
265.07111	2.3
275.09238	4.6
283.08102	0.7
291.08704	100.0
292.09116	4.0
307.08252	0.9
315.08539	1.1
315.12326	20.9
316.12650	1.1
317.10239	27.1
318.10489	1.1
327.08725	3.3
341.10336	1.0
344.36139	0.6
359.11258	25.7
360.11560	1.9
377.12430	1.2
385.11490	3.0
403.12326	16.1
404.12827	0.6
419.13397	40.2
420.13757	2.4
427.12170	1.2
445.13297	3.6
521.16473	1.1
581.09473	1.1
581.18689	20.2
582.19049	1.7
692.52191	0.7
696.18915	0.8
703.21869	1.5
735.21124	5.5
736.21692	0.9
805.26575	1.2
839.24475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.5
70.01310	0.7
71.01377	6.5
72.99301	0.7
73.02932	0.8
75.00860	0.3
78.95887	4.4
81.03427	0.4
83.01369	0.7
85.02938	1.7
87.00864	1.7
89.02434	6.0
95.01379	0.4
95.05021	0.2
97.02950	1.1
98.41280	0.2
99.00871	0.4
101.02438	5.0
105.31424	0.2
108.76318	0.2
111.08108	0.2
111.51214	0.2
113.02437	2.7
119.03497	1.3
125.02420	1.3
131.03471	0.4
141.09145	0.3
143.03459	0.8
152.98322	0.4
152.99564	7.8
161.04498	1.3
167.10733	0.3
171.00604	0.5
171.10275	0.4
177.12822	0.3
179.05618	2.0
179.10759	0.2
179.14378	0.8
195.13884	6.6
196.14305	0.3
205.12286	0.8
205.15871	0.4
211.13295	0.5
221.06677	0.5
223.11276	0.4
223.13358	5.4
224.13870	0.2
225.14964	0.4
227.03271	1.7
228.13585	0.5
231.21140	0.5
235.08163	2.0
239.12811	0.2
245.04282	1.0
253.09297	0.4
255.23253	55.9
256.13071	0.9
256.23590	3.1
263.07712	0.3
265.21628	0.5
274.02258	0.2
275.20129	4.9
276.20471	0.3
287.07779	0.5
291.19467	0.2
293.21188	100.0
294.21484	5.5
305.08658	0.6
309.20593	0.3
317.21274	0.3
323.09766	0.6
379.12289	0.6
397.13449	16.5
398.13785	0.8
415.14505	9.8
416.14914	0.4
483.27216	49.2
484.27579	3.5
569.41736	1.4
573.35620	0.2
654.27002	0.4
673.34424	1.4
674.34442	0.3
691.35229	3.0
930.48181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01879	4.1
68.99806	17.3
69.03447	24.9
71.01371	76.1
71.60794	0.7
72.01713	1.0
72.99303	6.7
73.02945	2.0
74.25292	0.5
83.01376	2.9
85.02938	13.0
87.00863	4.3
89.02431	100.0
90.02750	1.2
93.03446	2.2
93.11424	0.4
95.01376	5.5
95.05010	13.8
95.05590	1.0
97.02973	0.7
99.00876	4.5
99.04520	1.2
101.02430	59.4
111.00870	6.8
112.61663	0.4
113.02436	32.0
114.02794	0.8
119.03486	41.9
119.04989	2.8
120.03795	0.8
121.02940	51.1
121.06548	1.5
122.03239	1.0
123.04504	10.7
125.02459	1.2
127.03999	8.1
128.04308	0.5
131.03482	5.8
135.04474	0.7
137.02490	0.8
137.06058	4.4
138.06351	0.5
139.00359	7.5
139.03949	1.3
143.03468	11.4
147.04489	4.6
149.02405	4.3
149.04498	3.5
153.01915	0.5
153.05576	2.9
161.04538	14.0
163.03973	2.5
165.05553	8.8
179.05595	67.7
179.07080	6.2
180.05994	1.1
181.04996	3.6
191.03514	3.7
197.08139	3.9
197.11821	1.3
202.91525	0.5
209.04506	1.5
219.15819	0.5
223.06075	68.9
224.04121	0.5
224.06416	2.8
225.11331	1.0
226.85692	0.5
234.15018	0.5
241.07069	1.0
241.10777	2.1
301.09268	1.1
333.08157	3.6
359.13593	3.3
371.09750	16.5
372.09763	0.9
403.12363	98.5
404.12711	6.5
445.13297	1.3
452.02930	0.5
612.25909	0.6
788.18408	0.6
810.00439	0.6
825.42389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01418	1.1
73.02985	0.3
83.01417	0.5
89.02441	1.7
93.03502	1.2
99.00941	0.9
101.02486	0.8
107.01363	1.8
108.02245	0.9
109.02999	0.7
111.04617	0.4
113.02504	0.3
121.02997	1.2
132.02290	0.3
133.02946	2.8
134.03804	0.3
135.00891	0.6
135.04514	9.9
148.01730	0.5
151.00363	7.3
151.01530	0.5
161.02412	10.9
162.02841	1.0
163.00380	1.4
173.04503	3.1
178.99854	3.4
179.03473	4.4
180.03912	0.5
185.11826	7.9
187.03972	0.4
191.05594	0.7
199.04204	0.4
200.07309	0.3
211.03990	0.7
226.02753	1.0
227.03522	1.0
229.05130	0.4
243.02934	4.8
244.03616	0.3
245.04546	0.4
254.02240	1.3
255.02936	13.5
255.10551	0.3
256.03281	0.7
257.04272	0.3
271.02435	27.6
272.02963	2.4
273.03394	0.7
283.02402	0.7
299.01746	0.5
300.02704	62.3
301.03415	27.2
302.03717	2.4
334.59991	0.3
343.04501	0.6
357.15497	0.6
359.17065	3.0
364.14899	0.3
371.13351	0.7
447.14963	3.7
500.44806	0.3
609.14349	100.0
610.14697	9.9
611.15106	3.1
726.79889	0.3
866.47388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	27.0
71.61047	0.5
72.99312	2.9
73.02922	0.5
79.05494	0.4
81.07096	1.2
83.01391	1.0
85.02941	6.1
87.00862	1.3
89.02435	31.9
95.01405	2.3
95.01900	0.3
99.04509	5.5
101.01766	0.8
101.02432	14.6
107.05065	0.5
111.04501	1.2
113.02429	10.6
113.06084	0.4
117.03469	0.5
119.03485	13.7
131.03477	1.7
133.02951	0.8
135.04558	0.8
143.03476	3.0
145.02911	1.4
149.04492	1.3
149.05988	0.4
150.06856	1.0
157.56645	0.4
159.11800	0.4
161.02394	1.6
161.04482	3.4
161.09709	0.4
161.13339	16.4
162.13676	0.5
169.10155	0.4
179.03430	0.8
179.05589	13.3
179.07181	0.8
181.13531	0.4
187.11255	2.9
202.24333	0.3
205.12297	33.2
206.12605	1.1
223.13312	1.0
229.12415	0.5
231.10265	0.7
249.11273	54.8
250.11572	2.4
267.12402	2.4
377.12192	2.2
385.18646	5.1
429.17575	100.0
430.17914	6.6
532.27527	0.4
607.20172	0.8
608.20813	0.6
609.20782	0.5
859.73407	0.5
969.82001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.355
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	7.0
71.96043	0.8
72.99292	0.9
74.08846	0.7
84.15015	0.6
85.02965	1.4
87.00872	0.9
89.02441	7.7
93.03460	4.8
95.01369	1.0
101.02450	5.4
108.02139	1.4
109.02941	1.0
113.02425	2.8
119.03493	3.5
121.02954	6.2
122.03736	15.0
123.00879	0.8
123.04562	1.5
133.02950	2.8
134.03734	3.4
135.04524	2.6
136.01642	4.9
137.02499	3.6
139.00385	0.9
145.02983	1.2
146.03778	1.8
149.02428	24.8
149.05997	1.6
150.03207	100.0
151.00366	2.5
151.04013	10.1
152.04716	1.1
161.02406	2.7
162.03197	14.1
164.04762	4.9
165.05547	85.9
166.02705	7.0
166.05901	2.3
167.03459	3.7
177.05560	10.6
178.02721	0.8
179.03421	1.2
179.05565	2.7
179.07121	4.4
180.04268	6.3
181.05046	9.1
183.13817	1.1
193.04980	2.3
195.06595	46.7
196.06940	1.9
200.13821	0.7
205.05077	1.9
219.06461	0.9
220.07414	2.1
227.12915	1.5
229.38824	0.7
235.05989	0.8
269.04358	1.4
271.63571	0.8
357.11874	0.9
371.11282	1.0
384.73944	0.8
387.14798	1.7
389.12357	1.1
402.13226	1.0
403.13681	0.7
417.15533	7.3
496.13644	0.9
565.20654	12.2
566.21375	0.8
577.20673	0.8
595.21783	2.9
613.22681	10.5
614.23083	1.3
638.16333	0.8
658.21497	0.8
667.24402	1.6
683.22253	0.8
699.28772	0.8
713.26001	2.3
725.25989	1.5
743.27411	2.1
761.28198	6.1
762.28632	0.9
791.29108	4.2
809.30109	20.1
810.30194	2.9
923.33276	2.1
971.34467	2.2
972.36475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35358	0.5
71.01373	24.5
72.99297	2.2
73.02959	0.7
83.01388	1.3
85.02946	4.6
87.00903	2.2
89.02434	31.9
90.02807	0.5
93.03452	4.8
95.01373	2.5
96.95979	1.0
101.02428	14.0
105.03429	0.5
108.02146	0.8
109.02934	1.1
113.02438	11.2
117.03455	1.3
119.03490	14.7
119.04858	0.6
121.02938	5.6
122.03728	15.5
123.00826	1.2
123.04495	1.0
124.01717	0.9
125.02415	0.7
131.03485	1.8
133.02942	3.3
134.03714	1.6
135.04523	1.2
136.01637	6.5
137.02403	2.2
143.03494	3.1
145.02940	4.4
146.03731	2.9
147.04498	1.0
149.02426	22.6
149.04536	1.9
149.06004	0.8
150.03206	100.0
151.00360	2.9
151.03999	15.7
159.04454	0.5
161.02460	5.1
161.04541	3.3
161.06009	1.2
162.03207	25.5
163.03821	0.7
164.04790	3.7
165.05547	90.2
166.02693	9.8
166.05879	2.9
167.03448	0.6
171.61230	0.4
175.03961	0.9
177.05551	12.9
179.03406	0.8
179.05583	10.6
179.07127	2.8
180.04263	6.8
181.05032	8.8
191.03448	0.6
193.05049	1.0
195.06593	65.2
196.06949	1.6
204.04201	0.5
204.31607	0.5
205.05025	1.2
219.06639	1.0
220.07326	0.7
223.06216	0.5
225.11397	0.5
278.16510	0.5
305.58276	0.5
357.11951	3.0
387.10645	1.3
387.14499	1.3
402.13107	1.2
417.15417	7.0
418.15948	1.1
563.19373	0.9
565.20892	4.6
577.20691	7.3
578.20831	0.5
595.21692	1.8
613.22699	7.2
667.23859	0.6
725.26025	1.8
743.26935	0.8
761.28430	3.7
762.28748	0.6
773.27924	4.9
774.28766	1.0
775.27032	1.2
791.29236	2.6
809.30383	8.0
810.30438	1.1
923.34125	1.0
971.34698	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	971.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	0.3
69.45016	2.5
70.05266	0.3
71.01378	0.8
77.03989	0.3
93.03445	4.8
95.01379	1.0
95.05027	1.2
96.95982	0.6
98.20656	0.6
101.02418	0.4
105.03447	0.5
107.05047	0.5
108.02156	0.7
109.02935	2.8
113.02454	0.4
121.02937	7.5
122.03726	14.6
123.00887	0.7
123.04518	1.9
124.01637	0.9
125.02422	0.4
132.02145	1.1
133.02951	2.7
134.03725	4.5
135.04549	2.5
136.01654	5.6
137.02422	6.9
138.03203	0.5
139.00362	0.4
139.04007	0.5
145.02936	1.1
146.03719	2.6
147.04510	0.8
148.01610	0.6
149.02419	33.7
149.06049	4.5
150.03200	100.0
151.00415	2.3
151.03990	15.3
152.01154	1.0
152.04742	1.6
153.01904	0.8
153.05528	1.0
159.04503	0.8
161.02448	1.8
161.06058	1.0
162.03224	2.0
163.03990	1.1
164.04761	6.4
165.01897	1.6
165.05537	84.9
166.02695	7.5
166.05869	2.3
167.03476	1.6
175.03963	1.2
176.01123	0.4
176.04701	0.4
177.01895	1.1
177.05510	3.4
178.02737	0.4
179.03517	2.0
179.05809	0.2
179.07091	6.8
180.04257	5.8
181.05034	11.6
182.05560	0.3
184.03639	0.7
184.43488	0.3
187.03983	1.2
189.05653	0.4
190.06358	0.6
191.03491	0.6
192.04207	0.5
193.05077	1.5
194.05775	0.5
195.06595	33.6
196.06999	0.9
203.03342	0.3
204.04228	0.7
205.05057	3.6
205.08578	0.5
206.05618	0.7
207.06587	0.9
219.06512	1.7
220.07408	2.4
221.08014	0.4
223.06038	0.4
225.07661	1.4
235.09727	0.5
282.05310	0.4
297.07834	0.4
314.07916	0.3
315.08643	1.0
323.08649	0.4
329.10172	1.2
339.08502	0.4
341.77463	0.4
346.79770	0.3
355.11917	0.5
371.11267	0.4
372.12030	0.9
386.13461	0.6
387.10526	1.0
387.14893	2.0
402.12924	0.9
403.13885	0.7
416.14713	0.7
417.15463	5.5
471.16379	0.4
520.17444	0.5
535.16516	1.6
549.17169	0.4
550.18152	1.4
551.19086	0.9
564.19824	1.9
565.20703	17.1
566.21021	1.5
583.22095	0.5
594.21149	0.4
595.21832	2.8
612.22290	0.7
613.12622	0.6
613.22760	11.2
614.23138	1.2
619.22192	1.4
667.23792	1.6
685.24652	0.8
713.25922	12.9
714.26263	1.7
725.25537	0.6
743.26990	7.5
744.27289	0.7
761.28033	18.5
762.28638	1.8
773.28485	2.2
791.28967	5.8
792.29224	0.6
809.30151	24.8
810.30664	3.4
971.31958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	3.6
69.27713	10.7
69.28121	2.6
71.01375	100.0
72.99306	5.0
73.02530	3.1
73.02934	41.1
75.00872	3.4
78.95928	1.4
83.01366	16.4
83.05029	1.6
85.02944	30.6
87.00867	3.3
87.04512	1.9
89.02434	29.1
93.10479	1.2
94.30125	1.4
95.01381	5.9
96.96022	5.6
97.02936	3.5
97.06602	1.7
97.65130	1.2
99.00866	13.4
101.02429	66.3
103.72534	1.3
113.02438	39.2
113.03240	2.3
119.03490	13.6
125.02416	3.8
131.03465	2.2
133.02948	3.8
133.06630	1.5
135.04492	2.9
143.03497	6.8
149.04576	3.7
151.11241	4.5
158.40735	1.2
159.02979	5.2
161.02502	7.3
161.04532	33.3
163.65828	1.5
164.82599	1.3
179.03439	3.2
179.05600	5.1
190.53722	1.4
203.05577	12.2
221.06575	1.2
237.18434	6.3
306.08496	1.4
321.20593	6.7
381.22794	9.8
399.23801	54.2
400.24261	3.4
441.24869	60.4
441.31049	2.9
442.25281	3.6
529.35199	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	971.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.4
69.24529	0.4
69.24828	4.6
71.01375	14.5
72.99326	0.6
73.02928	2.4
83.01374	1.2
85.02935	3.7
85.55154	0.4
87.00879	1.5
89.02435	15.7
95.01366	0.9
96.95978	1.1
97.02951	0.9
97.48399	0.4
99.00861	1.2
101.02431	10.2
102.65450	0.4
111.00909	0.5
113.02426	5.8
119.03486	5.9
125.02444	3.5
131.03474	4.0
132.37531	0.5
134.03781	0.6
143.03456	2.6
149.02356	0.6
149.04538	1.2
158.22049	0.5
159.03136	0.4
161.04543	4.4
165.05463	0.4
179.05583	16.9
191.05621	1.3
197.65419	0.4
203.05574	0.5
221.06606	6.7
230.31436	0.4
263.07736	0.4
285.04007	0.6
305.08725	1.3
323.09821	1.9
433.70099	0.4
455.14053	9.4
455.35233	100.0
456.35632	8.7
469.36966	2.9
497.36313	5.8
498.37564	0.7
527.37457	0.5
587.39746	1.8
677.42584	1.0
768.48083	0.4
779.45367	2.4
911.49994	61.6
912.50232	8.8
919.66467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.0
70.07114	2.2
71.00984	1.0
71.01377	15.9
71.26053	0.5
72.99298	1.5
73.02960	2.6
78.95889	0.9
81.03465	0.8
83.01389	2.1
83.05038	0.6
85.02952	3.0
87.00868	3.8
89.02430	15.5
90.41788	0.5
95.01385	1.7
96.95996	1.3
97.02935	2.6
99.00887	0.8
101.02436	13.6
109.25596	0.6
113.02442	7.5
116.92807	0.8
117.03453	0.8
119.03487	3.8
125.02425	5.7
129.01877	0.5
131.03494	0.7
135.04469	0.9
143.03491	2.3
145.02928	3.3
152.99509	0.6
161.04573	2.7
179.05589	2.2
179.14377	1.2
195.13853	7.4
205.12291	0.8
221.06705	0.9
223.13350	4.6
228.13574	1.0
235.08221	6.0
253.09261	1.4
256.13187	1.5
275.20120	4.7
279.23257	43.8
280.23563	2.8
287.07669	1.8
293.21198	100.0
294.21475	4.8
305.08704	3.6
397.13461	72.7
398.13818	3.3
415.14520	21.7
416.15027	1.1
537.57849	0.5
633.38202	2.4
677.37463	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	975.6913
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61100	0.2
87.69812	0.1
95.17316	0.1
96.96001	0.5
133.02905	0.2
135.04482	0.3
161.02420	0.5
179.03484	0.3
190.56117	0.1
254.83472	0.1
293.94913	0.1
391.29901	0.1
392.42010	0.2
393.31302	0.1
421.31403	0.1
423.32559	0.5
439.32156	0.5
440.32681	0.5
441.33481	0.5
443.35132	0.2
467.31516	0.2
469.26657	0.2
469.33139	3.2
470.33289	0.2
485.32727	0.7
486.32861	0.8
487.34186	100.0
488.34540	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	975.6917
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04933	0.5
71.61353	0.1
71.61726	0.2
83.04986	0.1
87.11925	0.1
91.16365	0.1
94.50718	0.1
96.95940	0.2
97.06490	0.1
101.24169	0.1
107.70510	0.1
150.54387	0.1
205.15952	0.1
223.74974	0.1
264.34396	0.1
286.38150	0.1
389.28467	0.7
405.31717	0.3
406.28510	0.8
407.33078	0.6
421.30927	0.5
423.32675	2.2
424.32672	0.3
425.34360	0.5
427.32169	0.7
437.30518	0.2
439.32535	0.3
443.35147	0.5
455.31302	0.2
457.33350	0.3
467.31592	0.2
469.33124	20.4
470.33575	1.7
487.34198	100.0
488.34546	7.6
513.31921	0.4
646.46307	0.1
1013.79358	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	977.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60635	0.6
78.51760	0.6
85.02942	6.7
87.00880	2.1
89.02448	1.3
93.03445	3.6
95.01376	1.2
109.02927	2.4
111.47578	0.6
113.02436	9.0
117.03459	1.1
119.05003	0.8
121.02934	0.6
123.04516	7.5
127.04017	1.0
132.02145	1.6
133.02940	29.3
134.03618	1.2
135.04504	26.0
136.04865	1.1
145.02921	0.9
149.02301	0.8
150.03209	5.9
151.03061	0.3
151.03978	16.7
161.02422	88.9
162.02711	2.8
163.04007	1.7
171.02927	0.6
173.04514	1.7
179.03470	34.7
180.03743	1.3
182.42459	0.5
191.05579	55.2
192.05891	1.0
203.03584	0.8
337.09177	8.4
338.09482	0.7
459.15048	1.5
465.85898	0.6
477.16354	0.8
481.03085	0.6
487.14264	2.0
529.15765	1.8
621.07892	1.3
621.18121	24.8
622.18652	2.3
623.19122	0.6
639.19165	100.0
640.19519	10.4
745.74396	0.6
815.23584	0.7
977.28772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61366	0.4
73.02943	0.3
81.03465	0.3
85.02940	8.0
87.00845	1.4
89.02442	1.2
93.03452	2.8
95.01405	1.6
98.56447	0.3
99.00910	0.4
101.02435	0.7
105.03468	0.7
107.05022	0.4
107.07809	0.2
108.02198	0.4
109.02934	2.2
111.04514	0.5
113.02439	9.0
117.03427	1.1
119.05000	0.6
122.03724	0.7
123.04520	8.0
127.04021	1.3
132.02129	1.7
133.02942	30.6
134.03662	1.1
135.04512	25.1
136.04851	0.4
137.02478	0.7
143.03476	0.6
145.02925	0.6
147.04518	0.3
149.02386	0.7
150.03214	5.0
151.03987	18.1
152.04260	0.4
153.05603	0.3
161.02425	93.2
162.02760	2.7
163.03963	1.1
171.02907	0.4
173.04518	1.2
175.03807	0.3
177.05522	0.6
179.03473	32.6
180.03775	1.2
191.05586	59.1
192.05907	1.0
203.03485	0.8
205.05020	0.6
233.04553	0.5
245.04568	0.4
251.05544	0.6
255.81705	0.3
325.09180	0.3
337.09250	9.5
338.09677	0.4
415.88022	0.3
459.14929	1.4
465.57724	0.3
473.48019	0.3
477.16241	0.8
487.14511	1.8
529.15607	1.8
621.18158	23.2
622.18640	2.5
639.19189	100.0
640.19537	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	977.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59850	1.8
69.60270	1.1
71.01372	1.5
71.40153	0.5
73.02962	0.5
85.02937	1.1
89.02425	1.1
89.03915	0.6
97.48761	0.4
101.02448	1.2
105.03483	0.7
113.02441	1.2
117.03451	3.4
119.05036	4.8
123.04538	0.7
132.02141	2.7
133.02942	35.4
134.03461	1.0
135.04515	10.5
137.02446	0.6
145.02937	8.9
161.02422	100.0
162.02762	2.7
163.03989	4.6
179.03477	5.9
181.57750	0.4
181.77650	0.5
203.03467	0.5
258.39444	0.5
297.09674	0.6
339.10986	0.6
361.12308	0.4
461.14471	3.3
503.15515	96.9
504.15854	6.8
547.14563	1.2
665.21118	1.3
666.21509	1.9
853.77039	0.5
977.30011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	39.6
69.03450	22.0
71.01376	60.9
71.62755	1.4
72.01678	0.9
72.99300	3.3
73.02938	7.0
76.84431	0.9
83.01374	6.5
85.02946	18.7
87.00874	4.3
88.98811	1.2
89.02435	57.1
93.03450	18.0
95.01363	7.7
95.05016	16.7
95.05589	1.5
96.96005	1.6
97.02952	1.5
99.00836	4.8
99.04536	1.5
101.02433	79.1
108.02142	2.0
109.02946	1.5
111.00877	10.0
111.04507	1.0
113.02434	33.9
119.03495	24.0
119.04950	4.4
121.02944	100.0
121.06574	1.9
122.03245	1.2
123.04507	10.2
125.02437	7.8
127.04011	7.3
131.03508	3.5
133.02946	4.1
134.03725	6.9
135.04550	8.7
136.01643	1.3
137.02419	2.2
137.06096	2.4
139.00346	10.5
139.03990	3.6
143.03493	10.1
147.04498	5.5
149.02406	7.8
149.04547	3.6
151.04004	3.1
153.01947	13.3
153.05559	1.4
161.02464	6.7
161.04552	15.7
162.02914	1.0
163.04044	7.0
164.04698	1.2
165.05550	8.7
167.03474	3.2
171.02966	1.2
175.04033	1.7
177.05537	1.5
178.02652	1.1
179.03508	4.1
179.05606	45.0
179.07100	5.6
181.05025	7.7
191.03497	4.1
193.04994	4.1
195.02992	2.2
195.06589	1.5
203.05603	3.0
205.05043	1.2
207.61974	1.0
209.04436	2.2
213.03978	2.6
221.06654	1.3
223.06084	64.4
224.06418	2.0
265.07190	3.4
282.09097	0.9
283.08179	13.8
285.03976	1.0
289.56104	0.9
290.59451	1.0
298.73340	0.9
298.86694	0.9
315.07205	24.8
322.70447	0.9
333.08313	1.8
341.10446	1.2
353.10162	1.9
356.12582	43.5
357.12836	2.7
367.10428	1.4
371.09778	19.3
371.14914	47.3
372.15234	3.9
385.11337	41.9
386.11670	1.8
400.78528	1.0
403.12354	40.7
404.12582	1.9
413.10959	3.0
427.12329	1.6
445.13397	9.6
469.13510	4.1
487.14621	3.7
499.14493	3.5
540.57904	1.1
547.16608	26.8
548.16663	2.2
554.49487	1.2
655.23993	22.2
655.34827	1.2
656.24097	2.7
687.22894	41.1
688.23102	5.1
757.26978	7.5
758.27356	1.1
841.44458	1.2
845.83533	0.9
978.50006	1.1
979.32135	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	981.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78152	0.3
71.01372	5.0
71.62505	0.3
72.99305	0.3
83.01366	0.3
85.02942	5.2
89.02441	1.8
93.03429	1.9
95.01377	2.0
98.19725	0.3
101.02424	0.8
101.96743	0.3
113.02437	10.9
117.03425	0.4
119.03522	0.4
123.04522	1.2
132.02167	1.2
133.02942	21.0
134.03673	0.5
135.04510	14.0
136.04901	0.5
153.05553	0.8
161.02425	77.5
162.02773	2.3
173.04530	1.3
179.03477	4.1
183.10223	0.3
193.05107	0.4
251.05569	0.6
297.09726	0.4
315.10834	1.1
357.15396	0.5
444.43915	0.3
461.16599	4.8
529.45770	0.3
623.19714	100.0
624.09784	0.5
624.20068	9.5
777.41357	0.3
785.25525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	4.3
72.99306	0.3
81.03462	0.3
83.05025	0.6
85.02941	4.6
86.48113	0.2
87.00877	0.3
89.02432	1.4
93.03447	8.5
94.03809	0.4
95.01382	1.8
101.02438	0.7
104.02665	0.3
105.03451	0.4
109.02943	0.3
111.00909	0.4
111.04517	1.4
112.51361	0.2
113.02435	9.1
115.01893	0.3
117.03455	0.8
119.03497	0.3
123.04527	1.2
132.02158	1.6
133.02945	27.6
134.03313	0.5
135.04510	11.1
137.02417	1.3
143.03438	0.3
145.14389	0.2
153.05537	0.6
155.03452	0.8
161.02428	82.7
162.02745	2.5
173.04527	20.4
174.04907	0.6
179.03481	2.0
183.10202	2.3
193.73093	0.2
229.94928	0.3
297.09772	0.6
299.56754	0.2
305.73914	0.2
315.10883	1.1
357.15472	6.5
358.15494	0.3
461.16580	3.8
462.16916	0.3
623.19727	100.0
624.20038	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	983.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	28.9
69.03448	12.9
70.73801	0.5
70.75214	0.5
71.01373	26.5
72.99302	1.8
73.02920	2.5
81.03444	2.1
83.01352	2.6
83.05013	6.0
85.02935	12.1
87.00854	2.5
88.98782	0.5
89.02432	22.1
89.02990	1.1
91.05526	2.2
92.61608	0.5
93.03445	46.3
94.03752	0.8
95.01366	9.3
95.05001	4.1
96.95961	0.6
97.02940	2.3
99.00867	5.1
99.04514	3.0
101.02431	46.5
107.05009	9.0
107.75616	0.6
108.02203	0.7
109.02953	2.6
109.06544	1.0
111.00866	73.2
111.04504	33.2
111.05285	1.3
112.01201	1.0
113.02438	25.0
117.03455	1.5
119.03516	8.5
119.05009	13.2
120.05301	0.7
121.02940	15.1
123.00828	0.7
123.04521	6.2
125.02453	2.8
125.06056	1.8
127.03993	25.9
131.03479	1.0
133.02907	1.7
134.03700	1.2
135.04507	30.9
137.02425	25.4
137.06030	5.4
138.02769	0.5
139.00359	43.5
139.03955	0.9
143.03452	4.2
145.02898	2.7
147.04497	2.0
149.02432	6.8
149.04550	1.4
149.06036	2.2
150.02971	0.6
151.03973	3.8
151.07613	6.1
153.01970	3.0
153.05554	28.1
155.03438	1.2
159.04469	1.0
160.01680	0.5
161.02431	5.3
161.04559	3.0
161.05934	1.0
163.03984	25.3
164.04504	0.8
165.01918	11.2
165.05548	1.4
167.03496	2.4
167.07062	2.2
167.74547	0.6
169.05093	0.6
171.03023	3.3
171.04256	0.5
175.03993	0.6
177.05534	6.4
178.02669	0.5
179.03467	13.7
179.05548	6.7
179.07074	1.5
181.05009	3.6
187.03845	0.7
189.01903	3.9
189.05441	0.9
191.03481	1.5
193.04962	0.7
195.02991	5.3
195.06592	41.5
196.06956	0.9
197.04472	1.0
200.34723	0.5
205.04982	2.8
207.02972	7.2
213.03996	4.1
219.06580	1.5
221.04433	3.3
221.12160	0.5
223.06075	8.9
237.07507	0.9
239.05569	8.2
240.05957	0.6
247.05954	1.1
255.08746	1.5
261.07510	0.8
265.07178	3.4
273.07645	36.8
274.08011	1.9
275.02573	1.2
275.05591	24.7
276.05899	1.3
277.07175	0.6
281.06613	1.3
283.08142	1.2
287.09183	2.2
291.08548	2.6
299.09326	1.5
307.08176	95.1
308.08438	6.0
315.08682	32.6
315.12418	0.8
316.08926	1.6
333.09756	16.0
334.09894	0.7
343.08081	6.0
357.09604	3.1
361.09274	2.3
375.10803	14.0
376.11020	0.8
385.10971	1.0
393.11954	0.7
403.12512	17.8
404.12842	1.3
427.12344	1.1
429.62997	0.7
429.71112	0.6
435.12900	35.5
436.13049	2.2
445.13443	5.9
461.13141	0.9
463.32462	0.6
469.13345	1.0
477.14066	0.8
505.15182	1.2
537.16064	1.1
555.17139	1.6
565.17218	0.7
579.17151	10.4
580.17419	1.0
597.18152	100.0
598.18488	8.6
600.92621	0.5
639.19183	1.6
719.20636	1.8
751.20532	3.1
759.22607	0.9
785.23260	0.7
803.23920	1.3
821.25800	0.7
847.24542	0.9
941.55463	0.7
983.30334	17.6
984.29376	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	983.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34634	3.7
71.01373	4.5
85.02931	3.7
89.02441	1.7
90.04882	0.4
93.03450	2.5
95.01373	1.7
98.19898	0.7
101.02449	0.5
113.02436	9.3
117.03482	0.7
123.04482	1.0
132.02130	2.1
133.02943	27.0
134.03494	0.4
135.04507	11.7
153.05515	0.7
161.02420	85.2
162.02663	2.4
173.04515	7.7
174.24686	0.5
179.03477	2.9
185.11830	1.0
186.37976	0.5
315.10818	1.3
328.33218	0.5
359.17050	2.8
380.91083	0.5
456.35217	0.4
461.16422	3.9
623.19708	100.0
624.19989	9.7
767.10010	0.5
957.58789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	4.4
72.99294	0.5
73.02943	0.3
85.02937	4.9
85.03441	0.4
85.29232	0.2
88.76773	0.3
89.02441	1.8
95.01369	1.5
96.95993	0.9
99.00861	0.3
101.02415	1.8
103.04046	0.4
105.03455	0.5
113.02433	10.1
113.14141	0.3
117.03470	0.4
119.03504	0.3
123.04517	1.0
125.09721	0.3
132.02180	1.6
133.02940	27.4
134.03313	1.0
135.03477	0.7
135.04501	11.2
135.08174	0.3
143.03485	0.3
153.09189	76.4
154.09529	2.4
161.02419	86.7
162.02774	2.8
163.06133	0.4
166.38982	0.3
173.04564	0.5
179.03482	2.2
179.06998	0.3
183.10208	0.3
185.11836	0.6
197.08153	69.8
198.08432	2.2
297.09845	0.3
315.10858	1.3
361.14972	48.5
362.15311	2.5
461.16483	3.6
537.16760	0.3
623.19708	100.0
624.19983	10.4
624.29980	0.5
625.20453	1.4
626.20746	1.1
627.20746	0.8
667.05255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6607
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20927	0.6
71.01378	0.2
71.83691	0.1
82.88937	0.1
84.49606	0.2
96.95991	0.3
100.98405	0.1
101.02389	0.2
130.48215	0.1
196.42432	0.2
253.09218	0.5
277.21674	2.7
286.41434	0.2
327.21933	0.2
393.31528	0.2
453.33884	0.2
471.34720	100.0
472.35074	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	985.6609
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41147	0.3
71.04994	0.1
74.02460	0.1
82.17865	0.1
83.05038	0.1
90.69143	0.1
96.04542	0.1
97.06580	0.4
98.19997	0.1
112.04006	0.2
120.17419	0.1
132.29105	0.1
152.99599	0.1
154.80066	0.1
155.08250	0.3
165.06656	0.2
168.28662	0.1
183.07703	0.3
191.14313	0.3
191.28143	0.1
227.06662	0.6
250.53615	0.1
253.09244	0.2
261.05453	1.0
277.21674	1.7
299.26437	0.1
333.00400	0.1
373.25287	0.2
375.26715	0.2
377.28604	0.2
391.25497	0.2
391.30078	1.0
393.31540	0.7
394.32065	0.1
403.30811	0.1
405.27090	0.1
405.31622	0.4
407.33322	4.2
408.33307	0.3
409.27383	0.1
409.34644	0.4
411.32706	0.2
421.31088	0.3
423.32782	1.1
425.34464	1.4
427.35757	0.5
437.30600	0.1
439.32101	0.4
441.33667	2.2
441.87744	0.1
442.33722	0.1
451.32108	1.0
453.27197	0.1
453.33615	2.9
454.34238	0.2
469.33240	0.2
470.33478	0.2
471.34708	100.0
472.35043	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	985.6607
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20927	0.6
71.01378	0.2
71.83691	0.1
82.88937	0.1
84.49606	0.2
96.95991	0.3
100.98405	0.1
101.02389	0.2
130.48215	0.1
196.42432	0.2
253.09218	0.5
277.21674	2.7
286.41434	0.2
327.21933	0.2
393.31528	0.2
453.33884	0.2
471.34720	100.0
472.35074	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	987.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	8.3
71.61911	0.4
73.02932	2.2
78.95877	0.6
79.86154	0.3
83.01370	0.7
85.02933	3.9
87.00870	0.5
89.02432	1.4
89.03976	0.4
95.01360	0.5
97.02927	0.6
99.00886	1.9
99.04497	0.6
101.02444	3.0
109.06583	0.5
111.04504	0.5
113.02419	4.3
117.03452	32.2
118.03821	0.5
119.05012	12.7
120.05303	0.5
121.02775	0.4
121.06606	0.5
125.02431	0.9
127.98832	0.4
133.02969	1.0
135.04521	0.9
137.06116	1.0
137.09721	1.3
143.03500	1.2
143.04945	2.1
144.64175	0.4
145.02933	96.0
146.03264	2.5
161.02419	2.6
161.04527	2.7
163.03978	16.1
164.04288	0.7
178.05846	0.4
179.03479	0.7
187.03973	1.1
192.11542	2.6
203.05583	7.8
203.07434	0.5
207.13875	16.7
208.14250	0.6
217.18654	0.4
239.10651	0.4
263.72620	0.4
306.35889	0.4
338.70041	0.4
351.18204	2.8
353.26093	0.4
411.20160	16.5
412.20520	1.4
433.82236	0.5
487.16022	100.0
488.16345	8.1
645.28638	0.5
663.30176	0.6
825.35144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79820	0.3
70.80125	0.2
71.01379	1.3
73.02962	0.4
73.85326	0.2
85.02949	0.4
89.02444	0.5
89.04021	0.3
93.03410	0.3
101.02446	0.6
113.02434	0.5
117.03454	34.9
118.03782	0.7
119.05010	13.7
119.95284	0.2
120.05394	0.3
121.02993	0.3
133.02934	0.3
135.04521	0.3
136.14827	0.2
137.06068	1.0
143.05009	0.8
145.02934	100.0
146.03279	2.7
161.02405	0.5
161.04579	0.3
163.03987	17.1
164.04282	0.6
169.67651	0.2
177.05844	0.2
187.03949	0.7
192.11490	0.3
203.05580	0.6
207.13878	1.5
222.96017	0.2
248.15498	0.2
334.30310	0.2
427.13773	0.2
445.15082	0.4
487.16006	84.4
488.16345	7.1
491.89627	0.2
621.75403	0.2
623.19476	0.2
645.29028	0.3
663.29865	0.3
825.34442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5874
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	7.1
71.61826	0.7
72.99291	0.9
73.02931	0.8
74.89382	0.7
83.05009	0.9
85.02931	1.7
87.00865	2.0
89.02435	7.1
96.96006	1.6
97.02923	0.8
97.16817	0.7
99.00877	0.6
99.08159	0.9
101.02415	6.0
104.64209	0.7
113.02438	3.3
113.09689	1.3
119.03477	0.9
125.02431	2.6
125.09736	1.3
127.11263	0.7
129.09163	1.8
139.11272	2.4
143.03499	1.2
152.99567	0.7
155.10753	1.2
161.02414	1.5
161.04466	1.3
163.93468	0.7
167.10811	0.8
169.12357	1.0
171.10239	15.5
179.03421	0.7
179.05585	1.4
181.12267	2.3
183.10252	1.1
183.13913	0.8
185.11827	2.4
197.11856	3.2
199.13361	1.6
201.11276	3.0
211.13345	6.3
221.06281	0.7
232.79855	0.8
235.08234	3.5
253.09232	1.5
275.20129	1.9
277.21680	19.2
278.22018	1.3
287.07645	1.3
293.21216	5.7
305.08624	1.1
311.22235	100.0
312.22604	5.9
397.13434	37.8
398.13733	1.7
415.14529	12.6
675.35687	2.1
711.85736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5978
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84792	0.6
71.01362	0.6
71.05017	0.6
73.02943	0.3
83.05006	0.2
85.02934	0.2
89.02434	0.3
95.01376	0.1
96.95995	0.3
101.02416	0.4
108.53336	0.1
113.02406	0.3
131.03474	0.2
133.02927	0.8
134.03624	0.1
135.04498	0.5
143.03346	0.1
149.04480	0.4
151.12628	0.1
154.16803	0.1
161.02403	1.8
179.03439	0.4
199.19106	0.1
250.97774	0.1
259.09967	0.1
271.26547	0.1
355.21216	0.2
355.26318	0.4
361.25372	0.2
361.44366	0.1
363.26770	0.3
367.26300	0.2
375.27051	0.1
377.28476	0.3
379.29861	0.2
387.28760	0.2
391.30151	0.4
393.31754	0.2
401.28241	0.3
407.29398	0.4
409.31015	0.5
419.29602	0.4
419.61456	0.1
421.31061	1.2
423.28912	0.4
427.31943	0.2
435.29025	0.4
439.32022	0.4
443.31543	1.1
453.30029	4.1
454.30045	0.3
455.31769	0.2
457.23944	0.2
459.34976	0.8
485.32623	11.3
486.32947	1.0
487.25214	0.9
501.32281	0.3
503.33688	100.0
504.34033	9.2
715.58124	0.1
809.30975	0.3
991.40924	0.4
991.60510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38026	2.5
71.01369	4.0
81.03462	0.8
85.02928	5.5
89.02446	1.3
89.03951	0.4
95.01378	2.6
95.05000	1.3
96.08179	0.4
97.06548	0.3
101.02433	0.5
105.03419	0.4
109.06589	0.5
113.02435	12.4
113.90099	0.3
114.09229	6.6
115.01933	0.3
116.07160	81.7
117.03457	1.1
117.07537	1.5
123.04496	0.9
128.10776	0.6
130.08720	4.6
132.02132	2.1
133.02940	31.7
134.03304	0.6
135.04514	7.8
135.08142	1.3
138.05612	0.3
140.07162	1.9
143.03394	0.4
150.03201	4.8
158.08189	3.7
161.02419	98.5
162.02789	2.8
165.05556	0.5
169.98470	0.2
172.09836	0.5
177.09227	0.7
179.03479	4.9
179.07072	0.6
181.08739	0.6
187.78099	0.3
220.09888	0.4
221.08026	0.3
224.09212	0.3
232.16994	1.5
240.12404	0.4
276.16028	1.9
294.17056	7.2
302.14615	0.3
320.14990	2.2
324.18213	1.1
324.88055	0.4
334.75266	0.3
338.16022	57.2
339.16299	3.9
340.16562	0.3
345.11841	0.3
368.17072	1.9
383.64560	0.3
419.01199	0.3
439.14386	0.4
461.16229	0.4
476.15161	1.5
491.17584	2.8
623.19696	18.4
624.20013	2.1
653.20740	100.0
654.21082	9.3
919.83722	0.3
963.49805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.323
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	3.9
69.03449	0.9
71.01370	6.6
72.99309	0.4
73.02937	0.4
76.35146	0.2
80.93443	0.3
83.01379	0.5
85.02944	5.9
87.00861	0.4
89.02427	3.5
89.03962	0.6
93.03445	1.5
95.01369	3.2
95.05013	0.9
96.96008	0.4
99.00867	0.5
101.02422	3.9
111.00879	3.4
113.01829	0.3
113.02434	12.9
117.03452	35.6
118.03812	0.8
119.03510	0.8
119.05009	9.6
120.05370	0.3
121.02949	4.1
123.04514	4.5
125.02451	0.4
127.03994	0.7
132.02104	0.4
133.02924	2.9
134.03542	0.4
135.04507	13.4
136.04817	0.4
137.06114	0.3
139.00363	3.3
143.03465	0.9
145.02931	100.0
146.03262	3.3
147.04503	1.2
149.02425	4.4
153.01913	0.4
153.05563	5.8
161.02408	5.2
161.04578	0.9
162.02785	0.7
163.03987	8.5
173.02339	0.4
177.05600	0.4
179.03496	0.5
187.04124	0.4
191.03505	0.6
191.05412	0.3
197.19586	0.2
205.05028	0.7
211.06033	0.4
223.06061	0.6
229.05035	0.3
235.06137	0.6
278.03387	0.2
297.09723	1.1
315.10782	2.8
355.71774	0.3
403.12177	0.3
443.15439	1.0
461.16559	13.4
462.17053	0.5
483.57523	0.3
487.93384	0.3
521.98108	0.3
589.19171	2.0
607.20209	32.9
608.20605	2.7
615.19086	0.4
621.21991	0.4
649.21362	4.1
669.27106	0.4
729.23676	4.8
730.22589	0.4
761.22827	6.6
762.22662	0.7
769.25836	0.8
781.23242	0.4
795.25354	0.6
799.24445	2.3
813.26416	1.2
829.28729	0.3
831.27679	4.1
832.28412	0.5
847.28680	3.5
993.32300	27.0
994.32672	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	993.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	3.3
69.03446	0.6
71.01373	7.2
71.53470	0.3
72.99299	0.7
73.02956	0.6
83.01397	0.5
85.02938	6.5
87.00861	0.5
89.02443	3.7
93.03455	1.2
93.12360	0.3
95.01383	3.5
95.05017	0.9
96.95985	0.7
97.02923	0.4
99.00849	0.6
101.02429	4.5
111.00870	3.1
113.02436	13.0
114.02750	0.5
116.55448	0.3
117.03453	35.9
118.03771	0.7
119.03493	0.8
119.05016	10.1
121.02941	3.6
123.04517	4.7
125.02441	0.4
125.28286	0.3
127.03998	0.7
132.02231	0.3
133.02933	3.1
135.04512	15.8
136.04784	0.5
137.06093	0.4
139.00360	3.6
143.03497	0.6
145.02934	100.0
146.03276	2.4
147.04492	1.2
149.02412	4.6
153.01964	0.6
153.05550	6.3
161.02419	5.8
161.04559	1.2
161.05959	0.4
162.02737	0.8
163.03987	8.2
173.02394	0.4
179.03519	2.5
179.05046	0.4
187.03961	0.5
191.03482	0.4
205.05061	0.7
205.12315	0.3
210.52715	0.3
211.06244	0.4
223.05995	0.9
227.52159	0.3
235.06123	0.5
249.11282	0.7
251.12955	0.3
297.09695	0.6
307.08301	0.3
315.10791	2.9
390.07635	0.3
403.11975	0.4
443.15488	0.9
461.16562	13.6
462.17017	1.0
503.17416	0.4
549.23376	0.8
589.19122	2.6
607.20215	36.1
608.20538	2.5
615.18658	0.3
621.21692	0.5
623.20453	0.3
635.20361	0.4
649.21240	3.9
666.20258	0.5
685.24060	0.4
729.23761	4.4
730.24255	0.5
750.40289	0.4
761.22906	6.6
762.22412	0.5
769.25458	0.9
773.49023	0.3
799.23846	1.7
804.74329	0.3
813.26367	1.2
831.27515	2.8
847.28778	2.9
993.32208	23.2
994.32501	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	993.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86342	0.6
71.01352	0.4
71.05012	8.8
73.02917	0.5
77.24761	0.2
83.04979	0.8
85.02909	0.5
85.06548	0.9
92.42687	0.2
96.95987	0.6
97.06557	0.8
101.02402	0.3
104.91560	0.2
113.02423	0.4
115.44504	0.2
121.02967	0.3
122.44249	0.2
123.08131	0.4
133.02910	0.5
133.06493	0.3
135.04478	0.6
137.09596	0.3
142.06177	0.2
145.02840	0.2
149.63261	0.3
161.02405	1.1
167.20270	0.2
205.15947	4.7
295.09100	0.3
307.20560	0.5
321.22357	1.2
321.25528	0.3
323.23813	0.4
325.21729	0.4
335.23669	0.3
337.25339	2.1
339.26825	1.0
349.25320	0.4
351.23236	0.3
351.26913	2.7
353.24640	0.5
355.26385	4.1
367.26239	0.9
369.27896	6.8
370.28314	0.5
379.30048	1.3
387.25360	0.9
389.26889	2.4
391.26297	0.8
393.27954	0.5
395.29932	0.4
397.31104	0.7
399.25333	1.2
401.26819	2.0
405.32065	0.3
407.29718	1.2
409.31464	1.7
413.26810	3.3
419.29355	0.6
421.31479	1.4
423.32593	15.4
424.32941	1.2
425.30652	0.6
437.30609	2.4
439.26431	0.5
439.32147	8.7
440.32538	0.7
441.33636	58.7
442.33945	4.7
453.29733	0.7
455.31586	5.6
456.31732	0.6
459.34753	0.8
467.31357	1.2
473.32648	22.4
474.32901	1.6
483.30981	1.3
485.32648	32.2
486.33032	2.8
489.27252	2.2
502.32477	0.4
503.33701	100.0
504.34021	8.3
517.32086	0.5
607.29645	0.3
993.61450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69713	0.8
71.01377	2.7
72.99322	0.2
73.02946	0.3
77.03974	0.3
83.01392	0.2
84.02115	0.1
85.02940	4.0
87.00866	0.2
87.88672	0.1
89.02439	0.7
89.03952	0.6
91.05511	0.1
93.03467	0.3
95.01377	1.4
95.05023	0.3
97.02967	0.1
99.00925	0.2
100.38419	0.1
101.02445	0.6
104.02690	0.2
105.03452	1.0
106.04215	0.4
107.05034	0.4
108.02167	0.3
109.02967	0.3
111.00897	0.2
113.02442	6.6
115.01880	0.5
117.03458	1.8
117.99371	0.1
119.03487	0.1
119.05022	0.4
121.02950	0.4
121.76714	0.1
122.21791	0.1
123.04531	0.4
132.02158	4.1
133.02945	44.9
134.02371	0.1
134.03748	9.0
135.04514	22.0
136.04825	0.4
137.02420	1.2
137.06071	3.2
139.04030	0.4
143.03477	0.4
145.02890	0.3
148.05266	0.1
149.02467	0.3
149.06065	0.6
150.03209	0.3
152.03540	0.4
160.01628	2.0
161.02428	100.0
162.02768	2.4
163.03986	0.2
163.06079	0.2
173.02440	0.4
174.03197	0.1
175.03973	2.8
177.05521	0.3
178.02702	2.1
179.03476	17.2
180.03835	0.4
181.05083	0.2
185.06010	0.1
185.43079	0.1
186.03203	0.2
187.06149	0.3
191.03427	0.2
193.05034	10.1
194.05276	0.2
196.04034	0.5
198.05592	0.1
199.04016	0.8
200.04904	0.2
201.05481	0.2
203.03474	0.5
207.06758	0.2
212.07140	0.3
214.05077	0.1
221.04340	0.2
224.03513	1.3
225.04237	1.7
226.05026	0.9
233.04637	0.2
235.06238	0.2
238.05154	0.2
239.05884	0.2
240.06586	0.8
241.05125	0.2
241.07372	0.4
242.04530	0.4
242.08452	0.2
245.04445	0.2
251.05644	0.2
252.06372	0.1
253.03865	0.1
254.04454	0.3
256.06189	0.8
265.07144	0.2
266.04562	0.1
267.05347	0.3
268.02505	0.3
268.06055	0.6
269.06760	0.1
270.04062	0.5
282.04620	0.1
282.07779	0.3
283.04816	2.9
284.05594	5.4
285.06357	2.5
286.06857	0.3
294.04437	0.2
294.07770	0.8
296.05643	0.2
298.07129	1.9
299.07907	0.5
300.08762	0.5
305.06656	0.1
310.07138	0.2
311.07822	0.8
312.08728	0.9
325.09229	0.3
326.06656	2.7
326.10367	0.2
327.07349	0.4
329.09000	0.1
336.08533	0.3
337.09235	0.2
339.10516	0.2
341.09976	0.3
344.11560	0.1
364.09491	0.1
465.14166	0.3
485.13004	0.5
487.14691	0.6
506.16791	0.2
515.17456	0.2
620.19696	0.5
638.20551	0.3
651.19513	0.3
652.22461	2.5
653.22101	0.3
684.97272	0.2
712.24347	0.6
713.24847	0.2
770.26666	0.6
782.22662	1.1
783.23907	0.1
796.24054	0.6
799.23236	0.3
814.25549	54.2
815.25818	7.0
824.24109	0.2
832.30273	0.6
856.26343	0.6
874.28363	0.4
962.31854	0.2
994.33466	3.2
995.33417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.354
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	1.1
71.01374	9.3
71.61313	0.4
72.99293	0.4
73.02944	0.5
79.05509	0.5
81.42254	0.3
83.01379	0.9
85.02940	5.0
85.50551	0.3
87.00863	2.0
89.02426	4.4
89.03934	0.4
91.05487	0.7
93.03448	6.5
95.01392	2.4
95.05016	0.7
97.06609	1.5
101.02418	2.4
107.05015	4.8
109.02956	0.7
109.06581	0.3
111.04510	1.3
113.02432	12.8
117.03461	1.4
119.03490	1.5
119.04973	1.8
120.05794	0.8
121.02974	1.2
123.04522	0.9
132.02158	1.4
133.02937	19.4
133.06560	0.4
134.03258	0.3
135.04504	14.7
136.04861	0.5
137.02437	1.3
137.06049	3.2
137.09782	0.3
141.05533	0.4
143.03499	0.5
145.02919	1.9
148.01657	3.2
152.04752	0.5
153.05550	0.7
155.03474	0.6
155.10776	4.3
157.06509	0.5
161.02420	68.8
161.09715	3.8
161.13295	1.6
162.02855	1.7
163.03990	4.1
163.11342	0.4
173.04509	13.4
174.04977	0.4
179.03462	3.4
179.05713	0.6
181.05005	1.0
181.08691	0.5
187.11255	5.5
189.09148	1.6
199.09738	1.4
203.10840	0.6
205.12210	1.5
207.10234	1.4
223.13351	18.8
224.13727	0.9
228.26892	0.4
233.04544	0.6
249.11269	3.1
251.05667	0.5
265.14417	0.4
267.12323	39.7
268.12573	1.3
283.09692	2.8
297.09824	0.7
301.10822	1.2
309.13226	0.8
315.10873	1.6
327.08661	4.5
328.09079	0.4
369.15619	0.9
373.15009	5.1
405.11749	0.9
429.17581	27.3
430.18042	1.9
461.06717	0.4
461.16626	4.9
461.43814	0.4
567.17273	1.0
623.19708	100.0
624.20099	8.7
858.06909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.568
Annotation	Unknow
Peak:m/z	Relative Intensity
76.34579	47.0
85.54562	46.6
87.70278	49.1
98.20654	100.0
199.01712	49.8
204.81538	49.2
222.58618	48.0
233.49976	50.1
243.19189	55.3
243.21692	57.7
273.31610	43.8
506.60007	51.7
514.80823	52.6
678.29956	59.9
929.75134	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.37
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	8.0
72.99306	2.8
73.02930	0.6
74.67462	0.3
79.89519	0.4
81.03429	0.3
83.01383	0.5
83.64082	0.3
85.02935	8.1
87.00877	0.4
89.02452	2.6
90.29612	0.4
93.03442	0.6
95.01388	3.1
99.00883	0.5
101.02412	1.8
105.03464	0.3
107.05025	0.4
108.02146	0.4
109.02938	2.7
111.04479	0.5
111.08125	0.7
113.02437	19.3
114.02722	0.5
117.03448	0.9
119.03489	0.6
121.23470	0.4
122.36136	0.3
123.04504	3.3
130.26016	0.3
132.02113	1.7
133.02937	25.8
134.03621	0.6
135.04509	25.0
136.01651	0.8
136.04826	0.9
137.02428	24.2
139.11275	1.4
143.03500	0.6
151.04002	1.7
153.05569	1.6
155.03471	0.8
161.02422	100.0
162.02759	2.9
173.04517	0.8
179.03477	7.8
180.03830	0.4
181.05107	0.5
183.10226	6.0
189.31541	0.3
197.04539	3.5
233.04550	0.6
251.05582	1.4
295.65796	0.3
297.09720	1.1
315.10828	3.6
335.98962	0.4
357.15454	2.3
461.16589	15.4
462.16867	0.9
503.17542	0.7
531.17242	1.6
611.19818	0.5
623.19708	92.3
624.20044	8.2
641.20764	73.1
642.21124	6.2
856.31726	0.4
1026.37988	0.4
END